| 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 | 36.8 | Very low | 32 | Very low | 246 Ų | 246 | 149.5 Ų | 149.5 | 100% | 1.212 | 84% | 0.844 | S | S | * | * | 0 | 140.7 | 0 | -70.8 | 175.4 | -167.8 | 0 | 0 | 108 | |||||
| 2 | A | 36.8 | Very low | 32.2 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 90% | 0.901 | 83% | 0.832 | S | S | * | * | trans | -22.1 | 147.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 3 | G | 33.5 | Very low | 31.9 | Very low | 79 Ų | 79 | 145.6 Ų | 145.6 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | cis | -178.6 | 166.4 | 14.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 4 | C | 32.2 | Very low | 31.8 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | -71.8 | 151.4 | -171.1 | -165.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 5 | M | 28.8 | Very low | 32.4 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 89% | 0.892 | 83% | 0.829 | S | S | * | * | -175.4 | 123.3 | 120.2 | -106.7 | 168.3 | 69.1 | 0 | 0 | 116.1 | |||||
| 6 | K | 32.3 | Very low | 32.4 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 77% | 0.765 | 82% | 0.822 | S | S | * | * | trans | -0.5 | 128.8 | 153.8 | -84.6 | 170.3 | 164.2 | 173.4 | 0 | 119.8 | ||||
| 7 | I | 33.3 | Very low | 32.4 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 73% | 0.733 | 83% | 0.827 | S | S | * | * | 61 | 119 | 77.8 | -53.4 | 171.1 | 0 | 0 | 0 | 113.2 | |||||
| 8 | I | 33 | Very low | 32.8 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | 177.2 | 125.5 | 114.6 | -82 | 165.7 | 0 | 0 | 0 | 111.4 | |||||
| 9 | N | 29.4 | Very low | 33 | Very low | 159 Ų | 159 | 146 Ų | 146 | 85% | 0.85 | 83% | 0.833 | S | S | * | * | trans | 11 | 141.8 | 150.5 | -65.8 | -10.1 | 0 | 0 | 0 | 121.5 | ||||
| 10 | G | 27.5 | Very low | 33.2 | Very low | 69 Ų | 69 | 145.2 Ų | 145.2 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | 155.4 | 108.3 | 122.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 11 | Y | 28.2 | Very low | 33.1 | Very low | 215 Ų | 215 | 147.5 Ų | 147.5 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | trans | 98 | 118.6 | 131.6 | -108.1 | -130.2 | 0 | 0 | 0 | 120.6 | ||||
| 12 | I | 34 | Very low | 33.1 | Very low | 135 Ų | 135 | 141.7 Ų | 141.7 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | trans | 81.4 | 97.2 | 143.4 | -61.7 | 174.8 | 0 | 0 | 0 | 115.3 | ||||
| 13 | S | 28.4 | Very low | 33.1 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | 99.4 | 115.5 | 77.8 | -176.5 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 14 | A | 30.9 | Very low | 33.1 | Very low | 97 Ų | 97 | 147 Ų | 147 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | 142.7 | 55.6 | 144.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 15 | S | 40.6 | Very low | 33.1 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -132 | 70.9 | 161.1 | 174.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 16 | S | 31.9 | Very low | 33.5 | Very low | 103 Ų | 103 | 150.4 Ų | 150.4 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | -163.6 | 85 | 172.4 | 48.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 17 | K | 32.4 | Very low | 33.4 | Very low | 210 Ų | 210 | 147.8 Ų | 147.8 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | trans | 179.6 | 65.4 | 153.3 | -99.1 | 166.6 | -166.4 | -166.5 | 0 | 109.9 | ||||
| 18 | L | 39.5 | Very low | 33 | Very low | 175 Ų | 175 | 148.8 Ų | 148.8 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -134.7 | 18.1 | 169.2 | -139.5 | 108.2 | 0 | 0 | 0 | 114.5 | ||
| 19 | M | 37.6 | Very low | 32.7 | Very low | 173 Ų | 173 | 149.1 Ų | 149.1 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -154 | 59.1 | -177.8 | -139.9 | -173.7 | -173 | 0 | 0 | 113.7 | ||
| 20 | V | 35.9 | Very low | 33 | Very low | 129 Ų | 129 | 150.1 Ų | 150.1 | 78% | 0.782 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -138.7 | -0.4 | 170.2 | -174.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 21 | F | 32.6 | Very low | 32.9 | Very low | 194 Ų | 194 | 151.5 Ų | 151.5 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -120.6 | 42.5 | -175.5 | -92.6 | -77.6 | 0 | 0 | 0 | 115.7 | ||
| 22 | T | 36.1 | Very low | 32.9 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -125.8 | 6.3 | 175 | 42.5 | 0 | 0 | 0 | 0 | 115.8 | ||
| 23 | V | 36.5 | Very low | 32.5 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -131 | 19.9 | -176.6 | -169.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 24 | L | 34.1 | Very low | 32.6 | Very low | 159 Ų | 159 | 149.9 Ų | 149.9 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -132.5 | 44.6 | 177.6 | -128.7 | 147 | 0 | 0 | 0 | 113.1 | ||
| 25 | F | 32.6 | Very low | 32.3 | Very low | 198 Ų | 198 | 155.4 Ų | 155.4 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -138.2 | 29.9 | 170.1 | -108.7 | -75.5 | 0 | 0 | 0 | 113.8 | ||
| 26 | M | 35.7 | Very low | 31.9 | Very low | 173 Ų | 173 | 155.9 Ų | 155.9 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -132.7 | 120.1 | 164.6 | -67.4 | -63.6 | -87.4 | 0 | 0 | 108.7 | ||
| 27 | C | 30.4 | Very low | 31.7 | Very low | 121 Ų | 121 | 153.1 Ų | 153.1 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 86.3 | 86.3 | 176.8 | -56.3 | 0 | 0 | 0 | 0 | 116.8 | ||
| 28 | L | 25.6 | Very low | 31.7 | Very low | 164 Ų | 164 | 147.6 Ų | 147.6 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | 150.4 | 104.4 | 117.3 | -81.2 | 156.2 | 0 | 0 | 0 | 109.7 | |||||
| 29 | H | 27.3 | Very low | 31.6 | Very low | 156 Ų | 156 | 144 Ų | 144 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | 158.7 | 118.8 | 97.9 | -156.6 | 56.5 | 0 | 0 | 0 | 109 | T31 | H29-T31 PolarHBondContact O-N 2.9Å; H29-T31 VanDerWaalsContact O-N 3.14Å | |||
| 30 | Q | 35.1 | Very low | 32.3 | Very low | 180 Ų | 180 | 142.2 Ų | 142.2 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | -58.6 | 108.6 | 166.7 | -172.3 | 167.6 | -0.9 | 0 | 0 | 108.3 | ||||
| 31 | T | 24.8 | Very low | 33.6 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | trans | -109.4 | 95.1 | 162.3 | 47.6 | 0 | 0 | 0 | 0 | 107.8 | H29 H33 | H29-T31 PolarHBondContact O-N 2.9Å; H29-T31 VanDerWaalsContact O-N 3.14Å; T31-H33 VanDerWaalsContact C-N 3.29Å; T31-H33 PolarHBondContact O-N 3.16Å | ||
| 32 | S | 29.7 | Very low | 35.1 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -66.9 | 94.2 | 158.3 | 59.2 | 0 | 0 | 0 | 0 | 107.5 | Q34 | S32-Q34 PolarHBondContact O-N 3.33Š| ||
| 33 | H | 24.6 | Very low | 37 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 69% | 0.694 | 72% | 0.715 | S | S | * | * | trans | -90.2 | 92.1 | 162.4 | -92 | -73.6 | 0 | 0 | 0 | 108.7 | T31 Y35 | T31-H33 VanDerWaalsContact C-N 3.29Å; T31-H33 PolarHBondContact O-N 3.16Å; H33-Y35 PolarHBondContact O-N 3.45Å; H33-Y35 VanDerWaalsContact O-N 3.16Å | ||
| 34 | Q | 31 | Very low | 38.9 | Very low | 172 Ų | 172 | 128.1 Ų | 128.1 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | trans | -59 | 108.3 | 149.7 | -91.6 | 178.8 | -28.9 | 0 | 0 | 107.5 | S32 T36 | S32-Q34 PolarHBondContact O-N 3.33Å; Q34-T36 PolarHBondContact O-N 3.31Å | ||
| 35 | Y | 24.8 | Very low | 40.9 | Very low | 213 Ų | 213 | 120.9 Ų | 120.9 | 84% | 0.835 | 66% | 0.655 | S | S | * | * | trans | -84.1 | 99.7 | 157.1 | -111.8 | -86.7 | 0 | 0 | 0 | 108 | H33 | H33-Y35 PolarHBondContact O-N 3.45Å; H33-Y35 VanDerWaalsContact O-N 3.16Å | ||
| 36 | T | 32.1 | Very low | 42.8 | Very low | 133 Ų | 133 | 117.3 Ų | 117.3 | 82% | 0.816 | 64% | 0.64 | S | S | * | * | trans | -85.2 | 103.3 | 159.6 | 38.9 | 0 | 0 | 0 | 0 | 107.8 | Q34 | Q34-T36 PolarHBondContact O-N 3.31Š| ||
| 37 | G | 26.9 | Very low | 44.5 | Very low | 45 Ų | 45 | 112.3 Ų | 112.3 | 46% | 0.464 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -153.4 | 110.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | T39 | G37-T39 PolarHBondContact O-N 3.21Å; G37-T39 PolarHBondContact O-OG1 3.45Å |
| 38 | G | 32.8 | Very low | 46.2 | Very low | 94 Ų | 94 | 109 Ų | 109 | 97% | 0.969 | 60% | 0.603 | S | S | * | * | trans | -44 | 95.3 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 39 | T | 37.8 | Very low | 48.6 | Very low | 99 Ų | 99 | 105.5 Ų | 105.5 | 61% | 0.607 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 121.1 | 176.7 | 31.1 | 0 | 0 | 0 | 0 | 107 | G37 | G37-T39 PolarHBondContact O-N 3.21Å; G37-T39 PolarHBondContact O-OG1 3.45Å |
| 40 | R | 51.6 | Low | 50.8 | Low | 136 Ų | 136 | 103.9 Ų | 103.9 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 141.5 | 170.8 | -63.6 | 178.2 | -178.5 | -163.2 | -5 | 108.7 | I42 P56 | R40-I42 PolarHBondContact O-N 2.94Å; R40-P56 WeakPolarHBondContact CD-O 3.33Å; R40-P56 VanDerWaalsContact NH1-CD 3.26Å; R40-P56 VanDerWaalsContact NH1-CG 3.32Å; R40-P56 PolarHBondContact NH1-O 2.87Å |
| 41 | P | 62.7 | Low | 52.8 | Low | 107 Ų | 107 | 96.9 Ų | 96.9 | 70% | 0.695 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 134.8 | -177.4 | 23.3 | -32.9 | 0 | 0 | 0 | 110.7 | V43 | P41-V43 PolarHBondContact O-N 3.03Š|
| 42 | I | 65.1 | Low | 55.3 | Low | 79 Ų | 79 | 97.4 Ų | 97.4 | 41% | 0.405 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 124.2 | 173.5 | -62.8 | 171.3 | 0 | 0 | 0 | 107.5 | R40 R58 C60 | R40-I42 PolarHBondContact O-N 2.94Å; I42-R58 HydrophobicContact CG1-CB 4.49Å; I42-C60 HydrophobicContact CG2-CB 3.91Å; I42-C60 WeakPolarHBondContact CG2-SG 3.26Å |
| 43 | V | 75.1 | Confident | 57.5 | Low | 35 Ų | 35 | 94.4 Ų | 94.4 | 21% | 0.212 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 116.6 | 177.8 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | P41 R58 F59 C60 | P41-V43 PolarHBondContact O-N 3.03Å; V43-R58 PolarHBondContact N-O 3Å; V43-F59 HydrophobicContact CB-CD1 3.9Å; V43-F59 HydrophobicContact CB-CE1 4.11Å; V43-F59 HydrophobicContact CG1-CD1 4.21Å; V43-F59 HydrophobicContact CG1-CE1 4.3Å; V43-F59 WeakPolarHBondContact O-CA 3.38Å; V43-C60 PolarHBondContact O-N 2.75Å |
| 44 | D | 76.2 | Confident | 59.7 | Low | 71 Ų | 71 | 92.6 Ų | 92.6 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 123.1 | 171.7 | -77.5 | -34.1 | 0 | 0 | 0 | 109.7 | C60 K62 | D44-C60 CarbonylContact C-O 3.39Å; D44-C60 WeakPolarHBondContact CA-O 3.41Å; D44-K62 VanDerWaalsContact CG-NZ 3.34Å; D44-K62 WeakPolarHBondContact OD1-CE 3.08Å; D44-K62 IonicContact OD1-NZ 3.76Å; D44-K62 PolarHBondContact OD1-NZ 3.42Å; D44-K62 WeakPolarHBondContact OD2-CE 3.4Å; D44-K62 IonicContact OD2-NZ 2.87Å; D44-K62 PolarHBondContact OD2-NZ 3.25Å |
| 45 | L | 76.6 | Confident | 61.5 | Low | 7 Ų | 7 | 85 Ų | 85 | 4% | 0.037 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 130.1 | -179.7 | -67.9 | 173.4 | 0 | 0 | 0 | 111.3 | Y51 F59 C60 Y61 V78 F133 V145 P147 | L45-Y51 HydrophobicContact CB-CE2 4.46Å; L45-Y51 HydrophobicContact CD2-CD2 3.29Å; L45-Y51 HydrophobicContact CD2-CE2 3.42Å; L45-Y51 VanDerWaalsContact CD2-CE2 3.42Å; L45-Y51 HydrophobicContact CD2-CG 4.12Å; L45-F59 HydrophobicContact CD1-CB 3.79Å; L45-F59 HydrophobicContact CD1-CD1 4.32Å; L45-F59 HydrophobicContact CD1-CG 4.28Å; L45-F59 HydrophobicContact CD2-CD1 3.72Å; L45-F59 HydrophobicContact CD2-CE1 4.34Å; L45-F59 HydrophobicContact CD2-CG 4.46Å; L45-F59 HydrophobicContact CG-CB 4.11Å; L45-F59 HydrophobicContact CG-CD1 4.06Å; L45-F59 HydrophobicContact CG-CG 4.45Å; L45-C60 PolarHBondContact N-O 3.49Å; L45-Y61 HydrophobicContact CB-CD2 4.09Å; L45-V78 HydrophobicContact CD1-CG1 4.37Å; L45-V78 HydrophobicContact CD1-CG2 4.46Å; L45-F133 HydrophobicContact CD1-CE1 3.66Å; L45-F133 HydrophobicContact CD1-CZ 3.57Å; L45-V145 HydrophobicContact CD1-CG1 3.94Å; L45-V145 HydrophobicContact CD2-CG1 3.9Å; L45-P147 HydrophobicContact CB-CG 4.33Å |
| 46 | Q | 72.9 | Confident | 63.7 | Low | 122 Ų | 122 | 77.1 Ų | 77.1 | 57% | 0.57 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -103.7 | 146.8 | 172.1 | -59.8 | -169.5 | 14.4 | 0 | 0 | 112.2 | G48 E49 Y51 P147 | Q46-G48 PolarHBondContact O-N 3.17Å; Q46-E49 HydrophobicContact CB-CG 4.29Å; Q46-E49 PolarHBondContact O-N 3Å; Q46-Y51 PolarHBondContact N-OH 2.93Å; Q46-Y51 VanDerWaalsContact N-OH 3.15Å; Q46-P147 WeakPolarHBondContact O-CG 3.19Å |
| 47 | D | 71.6 | Confident | 65.7 | Low | 69 Ų | 69 | 72 Ų | 72 | 37% | 0.369 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 128.8 | -178.5 | -81.8 | -28.2 | 0 | 0 | 0 | 112.2 | E49 Y61 R149 | D47-E49 VanDerWaalsContact C-N 3.29Å; D47-E49 PolarHBondContact O-N 2.85Å; D47-Y61 WeakPolarHBondContact OD1-CE2 3.49Å; D47-Y61 VanDerWaalsContact OD1-CZ 3.3Å; D47-Y61 PolarHBondContact OD1-OH 3.36Å; D47-Y61 PolarHBondContact OD2-OH 3.14Å; D47-Y61 VanDerWaalsContact OD2-OH 3.07Å; D47-R149 IonicContact OD2-CZ 2.88Å; D47-R149 VanDerWaalsContact OD2-CZ 3.23Å; D47-R149 IonicContact OD2-NE 2.95Å; D47-R149 PolarHBondContact OD2-NE 2.87Å; D47-R149 IonicContact OD2-NH2 2.98Å; D47-R149 PolarHBondContact OD2-NH2 3.05Å |
| 48 | G | 66.4 | Low | 68.1 | Low | 50 Ų | 50 | 75.3 Ų | 75.3 | 52% | 0.515 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -19.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q46 P147 | Q46-G48 PolarHBondContact O-N 3.17Å; G48-P147 PolarHBondContact N-O 2.89Å |
| 49 | E | 74.8 | Confident | 70.3 | Confident | 92 Ų | 92 | 70.9 Ų | 70.9 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | trans | -73.7 | 150.4 | 177.1 | -66.1 | -155.8 | 149.6 | 0 | 0 | 112.5 | Q46 D47 Y51 P147 | Q46-E49 HydrophobicContact CB-CG 4.29Å; Q46-E49 PolarHBondContact O-N 3Å; D47-E49 VanDerWaalsContact C-N 3.29Å; D47-E49 PolarHBondContact O-N 2.85Å; E49-Y51 HydrophobicContact CB-CE2 3.83Å; E49-Y51 PolarHBondContact OE2-OH 3.25Å; E49-P147 WeakPolarHBondContact O-CD 3.28Å | ||
| 50 | Q | 74.3 | Confident | 72.2 | Confident | 122 Ų | 122 | 66.6 Ų | 66.6 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | trans | -112.5 | 122.7 | 177.2 | -74.6 | -179.7 | -19.5 | 0 | 0 | 109.5 | T144 K146 | Q50-T144 HydrophobicContact CB-CG2 4.45Å; Q50-K146 HydrophobicContact CG-CB 4.28Å; Q50-K146 HydrophobicContact CG-CD 3.78Å; Q50-K146 HydrophobicContact CG-CG 4.01Å | ||
| 51 | Y | 76.4 | Confident | 73.4 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 13% | 0.129 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 117.6 | 177.6 | -56.3 | -84.6 | 0 | 0 | 0 | 109.6 | L45 Q46 E49 M53 T144 V145 | L45-Y51 HydrophobicContact CB-CE2 4.46Å; L45-Y51 HydrophobicContact CD2-CD2 3.29Å; L45-Y51 HydrophobicContact CD2-CE2 3.42Å; L45-Y51 VanDerWaalsContact CD2-CE2 3.42Å; L45-Y51 HydrophobicContact CD2-CG 4.12Å; Q46-Y51 PolarHBondContact N-OH 2.93Å; Q46-Y51 VanDerWaalsContact N-OH 3.15Å; E49-Y51 HydrophobicContact CB-CE2 3.83Å; E49-Y51 PolarHBondContact OE2-OH 3.25Å; Y51-M53 HydrophobicContact CD1-CE 4.34Å; Y51-T144 WeakPolarHBondContact O-CA 3.44Å; Y51-V145 PolarHBondContact N-O 3.43Å; Y51-V145 PolarHBondContact O-N 3.35Å |
| 52 | L | 78 | Confident | 74 | Confident | 108 Ų | 108 | 59.2 Ų | 59.2 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 121.5 | 171.4 | -177.3 | 70.2 | 0 | 0 | 0 | 108.8 | Q142 | L52-Q142 HydrophobicContact CD1-CB 4.36Å |
| 53 | M | 75.9 | Confident | 74.2 | Confident | 46 Ų | 46 | 56.7 Ų | 56.7 | 23% | 0.227 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 150.5 | -172.6 | -67.1 | -68.2 | 165.4 | 0 | 0 | 112.3 | Y51 F59 Y143 | Y51-M53 HydrophobicContact CD1-CE 4.34Å; M53-F59 HydrophobicContact CB-CZ 4.35Å; M53-F59 HydrophobicContact CG-CE1 4.18Å; M53-F59 HydrophobicContact CG-CZ 3.91Å; M53-Y143 HydrophobicContact CB-CE1 4.01Å; M53-Y143 HydrophobicContact CB-CE2 3.87Å; M53-Y143 PolarHBondContact N-O 3.38Å; M53-Y143 WeakPolarHBondContact O-CD1 3.46Å; M53-Y143 PolarHBondContact O-N 2.92Å; M53-Y143 VanDerWaalsContact O-N 3.14Å |
| 54 | L | 71.1 | Confident | 73.7 | Confident | 111 Ų | 111 | 60.9 Ų | 60.9 | 58% | 0.581 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.2 | 179.7 | -79.3 | 148.4 | 0 | 0 | 0 | 109.4 | Q142 | L54-Q142 HydrophobicContact CD1-CG 4.49Å; L54-Q142 HydrophobicContact CD2-CB 4.5Å; L54-Q142 HydrophobicContact CD2-CG 3.35Å; L54-Q142 HydrophobicContact CG-CG 3.81Å |
| 55 | G | 68.1 | Low | 73.1 | Confident | 12 Ų | 12 | 60 Ų | 60 | 12% | 0.124 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 78.6 | -179.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N57 Y143 | G55-N57 PolarHBondContact O-N 2.95Å; G55-Y143 WeakPolarHBondContact O-CE1 3.44Å; G55-Y143 PolarHBondContact O-OH 3.07Å |
| 56 | P | 71 | Confident | 72.5 | Confident | 48 Ų | 48 | 65.3 Ų | 65.3 | 31% | 0.312 | 35% | 0.35 | S | S | . | . | trans | -73.4 | 116.5 | -170.8 | 25.8 | -32.5 | 0 | 0 | 0 | 112.5 | R40 V135 D136 | R40-P56 WeakPolarHBondContact CD-O 3.33Å; R40-P56 VanDerWaalsContact NH1-CD 3.26Å; R40-P56 VanDerWaalsContact NH1-CG 3.32Å; R40-P56 PolarHBondContact NH1-O 2.87Å; P56-V135 WeakPolarHBondContact CA-O 3.45Å; P56-D136 WeakPolarHBondContact CB-OD1 3.38Å | ||
| 57 | N | 74.2 | Confident | 72 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 13% | 0.134 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 155.2 | 178.3 | -64.7 | -30.4 | 0 | 0 | 0 | 111.5 | G55 F59 V135 Y143 | G55-N57 PolarHBondContact O-N 2.95Å; N57-F59 HydrophobicContact CB-CE2 3.98Å; N57-F59 HydrophobicContact CB-CZ 3.93Å; N57-V135 PolarHBondContact N-O 3.35Å; N57-V135 PolarHBondContact O-N 3.31Å; N57-Y143 WeakPolarHBondContact CB-OH 3.17Å; N57-Y143 PolarHBondContact ND2-OH 2.91Å |
| 58 | R | 76.9 | Confident | 71.7 | Confident | 116 Ų | 116 | 62.1 Ų | 62.1 | 44% | 0.438 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.5 | 176 | -61.3 | 179.9 | -177.1 | -169.3 | -0.5 | 108.1 | I42 V43 K134 | I42-R58 HydrophobicContact CG1-CB 4.49Å; V43-R58 PolarHBondContact N-O 3Å; R58-K134 HydrophobicContact CG-CG 4.46Å |
| 59 | F | 79.1 | Confident | 71.7 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 142.6 | 177.1 | -61.1 | -80.7 | 0 | 0 | 0 | 109.5 | V43 L45 M53 N57 C132 F133 V135 Y143 V145 | V43-F59 HydrophobicContact CB-CD1 3.9Å; V43-F59 HydrophobicContact CB-CE1 4.11Å; V43-F59 HydrophobicContact CG1-CD1 4.21Å; V43-F59 HydrophobicContact CG1-CE1 4.3Å; V43-F59 WeakPolarHBondContact O-CA 3.38Å; L45-F59 HydrophobicContact CD1-CB 3.79Å; L45-F59 HydrophobicContact CD1-CD1 4.32Å; L45-F59 HydrophobicContact CD1-CG 4.28Å; L45-F59 HydrophobicContact CD2-CD1 3.72Å; L45-F59 HydrophobicContact CD2-CE1 4.34Å; L45-F59 HydrophobicContact CD2-CG 4.46Å; L45-F59 HydrophobicContact CG-CB 4.11Å; L45-F59 HydrophobicContact CG-CD1 4.06Å; L45-F59 HydrophobicContact CG-CG 4.45Å; M53-F59 HydrophobicContact CB-CZ 4.35Å; M53-F59 HydrophobicContact CG-CE1 4.18Å; M53-F59 HydrophobicContact CG-CZ 3.91Å; N57-F59 HydrophobicContact CB-CE2 3.98Å; N57-F59 HydrophobicContact CB-CZ 3.93Å; F59-C132 CarbonylContact O-C 3.54Å; F59-C132 WeakPolarHBondContact O-CA 3.33Å; F59-F133 HydrophobicContact CB-CD1 4.28Å; F59-F133 HydrophobicContact CB-CD2 4.33Å; F59-F133 HydrophobicContact CB-CE1 3.76Å; F59-F133 HydrophobicContact CB-CE2 3.83Å; F59-F133 HydrophobicContact CB-CZ 3.51Å; F59-F133 HydrophobicContact CD2-CD2 4.22Å; F59-F133 AromaticContact CD2-CE2 3.62Å; F59-F133 HydrophobicContact CD2-CE2 3.62Å; F59-F133 HydrophobicContact CD2-CZ 4.06Å; F59-F133 AromaticContact CG-CE2 4Å; F59-F133 HydrophobicContact CG-CE2 4Å; F59-F133 AromaticContact CG-CZ 3.95Å; F59-F133 HydrophobicContact CG-CZ 3.95Å; F59-F133 PolarHBondContact N-O 3.14Å; F59-F133 PolarHBondContact O-N 3.36Å; F59-V135 HydrophobicContact CD2-CG2 3.97Å; F59-V135 HydrophobicContact CE2-CB 4.21Å; F59-V135 HydrophobicContact CE2-CG2 3.95Å; F59-Y143 AromaticContact CE2-CE2 3.66Å; F59-Y143 HydrophobicContact CE2-CE2 3.66Å; F59-Y143 AromaticContact CZ-CE2 3.71Å; F59-Y143 HydrophobicContact CZ-CE2 3.71Å; F59-V145 HydrophobicContact CE1-CG2 4.24Å; F59-V145 HydrophobicContact CE2-CG2 3.95Å; F59-V145 HydrophobicContact CZ-CG2 3.79Å |
| 60 | C | 78.6 | Confident | 71.2 | Confident | 10 Ų | 10 | 73.4 Ų | 73.4 | 7% | 0.068 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 131.7 | 167.6 | -69.1 | 0 | 0 | 0 | 0 | 109.1 | I42 V43 D44 L45 T131 C132 | I42-C60 HydrophobicContact CG2-CB 3.91Å; I42-C60 WeakPolarHBondContact CG2-SG 3.26Å; V43-C60 PolarHBondContact O-N 2.75Å; D44-C60 CarbonylContact C-O 3.39Å; D44-C60 WeakPolarHBondContact CA-O 3.41Å; L45-C60 PolarHBondContact N-O 3.49Å; C60-T131 WeakPolarHBondContact CA-O 3.46Å; C60-C132 HydrophobicContact CB-CB 4.21Å; C60-C132 WeakPolarHBondContact CB-SG 3.34Å; C60-C132 WeakPolarHBondContact SG-CB 3.34Å; C60-C132 CovalentContact SG-SG 2.05Å; C60-C132 PolarHBondContact SG-SG 3.01Å |
| 61 | Y | 77.3 | Confident | 71 | Confident | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 124.6 | 171.7 | -179.4 | -95 | 0 | 0 | 0 | 108.6 | L45 D47 N63 I76 I124 K130 T131 P147 R149 | L45-Y61 HydrophobicContact CB-CD2 4.09Å; D47-Y61 WeakPolarHBondContact OD1-CE2 3.49Å; D47-Y61 VanDerWaalsContact OD1-CZ 3.3Å; D47-Y61 PolarHBondContact OD1-OH 3.36Å; D47-Y61 PolarHBondContact OD2-OH 3.14Å; D47-Y61 VanDerWaalsContact OD2-OH 3.07Å; Y61-N63 HydrophobicContact CE1-CB 4.17Å; Y61-I76 HydrophobicContact CE1-CD1 4.33Å; Y61-I76 HydrophobicContact CE1-CG2 3.79Å; Y61-I124 HydrophobicContact CD1-CD1 3.59Å; Y61-I124 HydrophobicContact CD1-CG2 4.01Å; Y61-I124 HydrophobicContact CD2-CD1 4.29Å; Y61-I124 HydrophobicContact CE1-CD1 4.3Å; Y61-I124 HydrophobicContact CE1-CG2 4.34Å; Y61-I124 HydrophobicContact CG-CD1 3.57Å; Y61-K130 WeakPolarHBondContact O-CA 3.43Å; Y61-T131 PolarHBondContact N-O 3.28Å; Y61-T131 PolarHBondContact O-N 3.35Å; Y61-P147 HydrophobicContact CD2-CB 4.08Å; Y61-P147 HydrophobicContact CE2-CB 3.91Å; Y61-R149 PolarHBondContact OH-NH2 3.36Å; Y61-R149 VanDerWaalsContact OH-NH2 3.1Å |
| 62 | K | 73.8 | Confident | 70.7 | Confident | 85 Ų | 85 | 68.8 Ų | 68.8 | 37% | 0.37 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 115.3 | 177.2 | -67.9 | 176.5 | 179.7 | 162.3 | 0 | 108.5 | D44 T64 K129 K130 | D44-K62 VanDerWaalsContact CG-NZ 3.34Å; D44-K62 WeakPolarHBondContact OD1-CE 3.08Å; D44-K62 IonicContact OD1-NZ 3.76Å; D44-K62 PolarHBondContact OD1-NZ 3.42Å; D44-K62 WeakPolarHBondContact OD2-CE 3.4Å; D44-K62 IonicContact OD2-NZ 2.87Å; D44-K62 PolarHBondContact OD2-NZ 3.25Å; K62-T64 PolarHBondContact O-N 3.43Å; K62-K129 WeakPolarHBondContact CA-O 3.4Å; K62-K130 HydrophobicContact CG-CG 4.21Å |
| 63 | N | 70.3 | Confident | 70.7 | Confident | 27 Ų | 27 | 65.4 Ų | 65.4 | 14% | 0.144 | 33% | 0.325 | C | S | . | . | trans | -81.2 | 105.2 | 173.6 | -170 | 8.5 | 0 | 0 | 0 | 109.4 | Y61 V65 L126 K129 R149 | Y61-N63 HydrophobicContact CE1-CB 4.17Å; N63-V65 PolarHBondContact OD1-N 2.75Å; N63-L126 PolarHBondContact ND2-O 3.49Å; N63-K129 PolarHBondContact N-O 3.04Å; N63-K129 VanDerWaalsContact N-O 3.13Å; N63-R149 PolarHBondContact OD1-NH2 3.23Å | ||
| 64 | T | 63.5 | Low | 70.7 | Confident | 122 Ų | 122 | 64.1 Ų | 64.1 | 75% | 0.748 | 32% | 0.32 | S | S | * | . | trans | -90 | -10 | -179.1 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | K62 | K62-T64 PolarHBondContact O-N 3.43Š| ||
| 65 | V | 65.2 | Low | 70.8 | Confident | 54 Ų | 54 | 62.4 Ų | 62.4 | 33% | 0.327 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -100.3 | 124.4 | -173.2 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | N63 | N63-V65 PolarHBondContact OD1-N 2.75Š|
| 66 | V | 62.7 | Low | 71.1 | Confident | 118 Ų | 118 | 61.9 Ų | 61.9 | 72% | 0.715 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 125.6 | 173 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | T68 | V66-T68 PolarHBondContact O-N 3.5Å; V66-T68 VanDerWaalsContact O-N 3.14Å |
| 67 | P | 63.4 | Low | 71.3 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 31% | 0.305 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 117.5 | -176.2 | 23.9 | -31.8 | 0 | 0 | 0 | 110.6 | F127 | P67-F127 HydrophobicContact CG-CE1 4.27Å; P67-F127 HydrophobicContact CG-CE2 4.1Å; P67-F127 HydrophobicContact CG-CZ 3.77Å |
| 68 | T | 65.2 | Low | 71.5 | Confident | 77 Ų | 77 | 60.7 Ų | 60.7 | 47% | 0.472 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -91.9 | 158.9 | 170.4 | -53.3 | 0 | 0 | 0 | 0 | 110 | V66 R70 Q71 | V66-T68 PolarHBondContact O-N 3.5Å; V66-T68 VanDerWaalsContact O-N 3.14Å; T68-R70 PolarHBondContact O-N 2.92Å; T68-Q71 WeakPolarHBondContact O-CA 3.5Å; T68-Q71 WeakPolarHBondContact O-CB 3.34Å; T68-Q71 PolarHBondContact O-N 3.31Å |
| 69 | W | 65.2 | Low | 71.6 | Confident | 191 Ų | 191 | 57.7 Ų | 57.7 | 72% | 0.723 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -52.6 | -32.5 | -179.7 | 71.6 | -93.9 | 0 | 0 | 0 | 114.3 | Q71 T72 | W69-Q71 PolarHBondContact O-N 3.39Å; W69-T72 WeakPolarHBondContact O-CB 3.3Å; W69-T72 PolarHBondContact O-N 3.33Å; W69-T72 PolarHBondContact O-OG1 2.77Å |
| 70 | R | 64.9 | Low | 71.4 | Confident | 188 Ų | 188 | 57.7 Ų | 57.7 | 71% | 0.709 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -66.1 | -18.6 | 176.5 | -173.2 | 176.9 | -105.1 | -101.2 | 3.3 | 112.8 | T68 | T68-R70 PolarHBondContact O-N 2.92Š|
| 71 | Q | 69.4 | Low | 71.2 | Confident | 47 Ų | 47 | 60.7 Ų | 60.7 | 22% | 0.22 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -98.1 | 2.7 | -178 | -66 | 172.3 | -13.6 | 0 | 0 | 113.3 | T68 W69 W73 T74 | T68-Q71 WeakPolarHBondContact O-CA 3.5Å; T68-Q71 WeakPolarHBondContact O-CB 3.34Å; T68-Q71 PolarHBondContact O-N 3.31Å; W69-Q71 PolarHBondContact O-N 3.39Å; Q71-W73 PolarHBondContact O-N 2.96Å; Q71-W73 VanDerWaalsContact O-N 3.14Å; Q71-T74 HydrophobicContact CB-CG2 4.21Å; Q71-T74 WeakPolarHBondContact CB-OG1 3.35Å; Q71-T74 HydrophobicContact CG-CG2 4.31Å; Q71-T74 PolarHBondContact O-N 3.41Å; Q71-T74 PolarHBondContact O-OG1 3.35Å |
| 72 | T | 70.7 | Confident | 70.9 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -32.4 | -178.5 | -49.1 | 0 | 0 | 0 | 0 | 113.2 | W69 I288 I290 V293 | W69-T72 WeakPolarHBondContact O-CB 3.3Å; W69-T72 PolarHBondContact O-N 3.33Å; W69-T72 PolarHBondContact O-OG1 2.77Å; T72-I288 HydrophobicContact CG2-CG2 4.02Å; T72-I290 HydrophobicContact CG2-CD1 4.27Å; T72-V293 HydrophobicContact CG2-CG1 4.09Å |
| 73 | W | 77.5 | Confident | 70.2 | Confident | 38 Ų | 38 | 62.4 Ų | 62.4 | 14% | 0.144 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 19.5 | 177.1 | -54.1 | -84.5 | 0 | 0 | 0 | 113.1 | Q71 F151 D152 F156 F159 | Q71-W73 PolarHBondContact O-N 2.96Å; Q71-W73 VanDerWaalsContact O-N 3.14Å; W73-F151 HydrophobicContact CB-CD2 4.21Å; W73-F151 HydrophobicContact CB-CE2 3.64Å; W73-F151 HydrophobicContact CB-CZ 3.95Å; W73-F151 HydrophobicContact CE3-CE2 4.29Å; W73-F151 HydrophobicContact CG-CE2 4.44Å; W73-D152 PolarHBondContact O-N 3.15Å; W73-F156 HydrophobicContact CB-CB 4.4Å; W73-F156 AromaticContact CD2-CD2 3.85Å; W73-F156 HydrophobicContact CD2-CD2 3.85Å; W73-F156 AromaticContact CE2-CD2 3.83Å; W73-F156 HydrophobicContact CE3-CD2 4.21Å; W73-F156 HydrophobicContact CG-CB 4.11Å; W73-F156 HydrophobicContact CG-CD2 4.22Å; W73-F156 HydrophobicContact CZ2-CD2 4.19Å; W73-F156 HydrophobicContact CZ2-CE2 4.45Å; W73-F159 HydrophobicContact CH2-CE1 4.45Å; W73-F159 AromaticContact CZ2-CD1 3.6Å; W73-F159 HydrophobicContact CZ2-CD1 3.6Å; W73-F159 AromaticContact CZ2-CE1 3.68Å; W73-F159 HydrophobicContact CZ2-CE1 3.68Å; W73-F159 HydrophobicContact CZ2-CG 4.14Å; W73-F159 HydrophobicContact CZ2-CZ 4.26Å; W73-F159 AromaticContact NE1-CD1 3.96Å; W73-F159 AromaticContact NE1-CG 3.8Å |
| 74 | T | 76.6 | Confident | 69.7 | Low | 18 Ų | 18 | 66.8 Ų | 66.8 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 126 | 171.4 | 59 | 0 | 0 | 0 | 0 | 109.3 | Q71 L126 Q289 | Q71-T74 HydrophobicContact CB-CG2 4.21Å; Q71-T74 WeakPolarHBondContact CB-OG1 3.35Å; Q71-T74 HydrophobicContact CG-CG2 4.31Å; Q71-T74 PolarHBondContact O-N 3.41Å; Q71-T74 PolarHBondContact O-OG1 3.35Å; T74-L126 VanDerWaalsContact O-CD1 3.32Å; T74-L126 WeakPolarHBondContact O-CD1 3.42Å; T74-Q289 PolarHBondContact O-OE1 3.47Å |
| 75 | R | 74.3 | Confident | 69.4 | Low | 76 Ų | 76 | 63.5 Ų | 63.5 | 29% | 0.287 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 124.9 | 175.8 | -172.4 | 174.3 | 175 | 169.5 | 0 | 108.7 | Y77 N123 K150 D152 | R75-Y77 HydrophobicContact CG-CD1 4.18Å; R75-N123 VanDerWaalsContact CZ-OD1 3.23Å; R75-N123 PolarHBondContact NE-OD1 3.37Å; R75-N123 VanDerWaalsContact NH2-CG 3.3Å; R75-N123 PolarHBondContact NH2-ND2 2.79Å; R75-N123 PolarHBondContact NH2-OD1 3.34Å; R75-K150 PolarHBondContact N-O 3.42Å; R75-K150 PolarHBondContact O-N 2.62Å; R75-K150 VanDerWaalsContact O-N 3.15Å; R75-D152 HydrophobicContact CB-CB 3.98Å; R75-D152 WeakPolarHBondContact CD-OD2 3.27Å; R75-D152 IonicContact CZ-OD2 3.24Å; R75-D152 IonicContact NE-OD2 2.68Å; R75-D152 IonicContact NH1-OD2 2.97Å; R75-D152 PolarHBondContact NH1-OD2 3.14Å |
| 76 | I | 74.1 | Confident | 69.1 | Low | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 120 | 170.7 | -55.3 | 174.9 | 0 | 0 | 0 | 106.7 | Y61 I124 L126 R149 | Y61-I76 HydrophobicContact CE1-CD1 4.33Å; Y61-I76 HydrophobicContact CE1-CG2 3.79Å; I76-I124 HydrophobicContact CB-CB 4.24Å; I76-I124 HydrophobicContact CG2-CB 4.02Å; I76-I124 HydrophobicContact CG2-CD1 4.19Å; I76-I124 HydrophobicContact CG2-CG2 4.31Å; I76-I124 PolarHBondContact O-N 3.24Å; I76-L126 HydrophobicContact CD1-CG 4.14Å; I76-L126 HydrophobicContact CG1-CG 4.43Å; I76-R149 HydrophobicContact CG1-CG 4.22Å |
| 77 | Y | 75.1 | Confident | 68.7 | Low | 48 Ų | 48 | 61.6 Ų | 61.6 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 147.3 | 174.1 | 62.5 | -90.4 | 0 | 0 | 0 | 111.1 | R75 K79 V121 I122 I148 K150 | R75-Y77 HydrophobicContact CG-CD1 4.18Å; Y77-K79 HydrophobicContact CD2-CB 4.44Å; Y77-K79 HydrophobicContact CE2-CB 4.38Å; Y77-V121 HydrophobicContact CD2-CG1 3.62Å; Y77-V121 HydrophobicContact CE2-CG1 4.5Å; Y77-V121 HydrophobicContact CG-CG1 3.77Å; Y77-I122 CarbonylContact C-O 3.49Å; Y77-I122 WeakPolarHBondContact CA-O 3.16Å; Y77-I122 WeakPolarHBondContact CB-O 3.31Å; Y77-I148 HydrophobicContact CD2-CB 4.46Å; Y77-I148 HydrophobicContact CE1-CB 4.44Å; Y77-I148 HydrophobicContact CE1-CG2 4.43Å; Y77-I148 HydrophobicContact CE2-CB 3.95Å; Y77-I148 HydrophobicContact CE2-CD1 4.03Å; Y77-I148 HydrophobicContact CE2-CG1 4.39Å; Y77-I148 HydrophobicContact CE2-CG2 4.47Å; Y77-I148 PolarHBondContact N-O 3.28Å; Y77-I148 PolarHBondContact O-N 2.92Å; Y77-K150 HydrophobicContact CE1-CB 4.42Å |
| 78 | V | 77.1 | Confident | 68.3 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.2 | 172.7 | -170.4 | 0 | 0 | 0 | 0 | 107.8 | L45 V80 I122 I124 F133 V145 P147 | L45-V78 HydrophobicContact CD1-CG1 4.37Å; L45-V78 HydrophobicContact CD1-CG2 4.46Å; V78-V80 HydrophobicContact CG1-CG2 4.18Å; V78-I122 HydrophobicContact CB-CB 4.33Å; V78-I122 PolarHBondContact N-O 3.06Å; V78-I122 PolarHBondContact O-N 2.86Å; V78-I124 HydrophobicContact CG2-CD1 3.41Å; V78-I124 VanDerWaalsContact CG2-CD1 3.41Å; V78-I124 HydrophobicContact CG2-CG1 4.25Å; V78-F133 HydrophobicContact CB-CE1 4.43Å; V78-F133 HydrophobicContact CB-CZ 4.26Å; V78-F133 HydrophobicContact CG1-CE1 4.39Å; V78-F133 HydrophobicContact CG1-CZ 3.8Å; V78-F133 HydrophobicContact CG2-CE1 4.03Å; V78-F133 HydrophobicContact CG2-CZ 4.28Å; V78-V145 HydrophobicContact CG1-CG1 3.34Å; V78-P147 HydrophobicContact CG2-CB 4.38Å |
| 79 | K | 79.6 | Confident | 67.7 | Low | 52 Ų | 52 | 60 Ų | 60 | 23% | 0.226 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 118.7 | 173 | -163.6 | -173.1 | 173 | 174.8 | 0 | 107.7 | Y77 W81 E119 K146 I148 | Y77-K79 HydrophobicContact CD2-CB 4.44Å; Y77-K79 HydrophobicContact CE2-CB 4.38Å; K79-W81 HydrophobicContact CB-CE3 4.09Å; K79-W81 HydrophobicContact CB-CZ3 3.91Å; K79-W81 HydrophobicContact CD-CE3 3.7Å; K79-W81 HydrophobicContact CD-CZ3 3.79Å; K79-W81 HydrophobicContact CG-CE3 3.7Å; K79-W81 HydrophobicContact CG-CZ3 3.94Å; K79-E119 VanDerWaalsContact CE-CD 3.41Å; K79-E119 WeakPolarHBondContact CE-OE1 3.47Å; K79-E119 WeakPolarHBondContact CE-OE2 3.34Å; K79-E119 IonicContact NZ-OE1 3.91Å; K79-E119 PolarHBondContact NZ-OE1 3.41Å; K79-E119 IonicContact NZ-OE2 2.82Å; K79-E119 PolarHBondContact NZ-OE2 3.24Å; K79-K146 PolarHBondContact N-O 3.45Å; K79-K146 PolarHBondContact O-N 3.37Å; K79-I148 HydrophobicContact CB-CD1 4.37Å |
| 80 | V | 75.9 | Confident | 66.8 | Low | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 124.5 | 172.5 | -173 | 0 | 0 | 0 | 0 | 108 | V78 F86 T120 I122 F133 V135 Y143 T144 V145 | V78-V80 HydrophobicContact CG1-CG2 4.18Å; V80-F86 HydrophobicContact CB-CE2 3.87Å; V80-F86 HydrophobicContact CB-CZ 4.12Å; V80-F86 HydrophobicContact CG1-CD2 4.21Å; V80-F86 HydrophobicContact CG1-CE2 3.47Å; V80-F86 VanDerWaalsContact CG1-CE2 3.47Å; V80-F86 HydrophobicContact CG1-CZ 3.91Å; V80-F86 WeakPolarHBondContact O-CZ 3.33Å; V80-T120 PolarHBondContact N-O 3.45Å; V80-T120 VanDerWaalsContact N-O 3.09Å; V80-T120 PolarHBondContact O-N 2.85Å; V80-T120 VanDerWaalsContact O-N 3.13Å; V80-I122 HydrophobicContact CG2-CD1 4.26Å; V80-F133 HydrophobicContact CG2-CE2 4.44Å; V80-V135 HydrophobicContact CG1-CG1 4.33Å; V80-Y143 HydrophobicContact CG1-CD2 4.03Å; V80-T144 WeakPolarHBondContact CA-O 3.32Å; V80-V145 HydrophobicContact CG1-CG2 4.33Å; V80-V145 HydrophobicContact CG2-CG1 4.34Å; V80-V145 HydrophobicContact CG2-CG2 4.24Å |
| 81 | W | 73.4 | Confident | 66 | Low | 74 Ų | 74 | 48.1 Ų | 48.1 | 28% | 0.28 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 141.4 | 176.5 | 60.5 | 85.3 | 0 | 0 | 0 | 111.1 | K79 E119 Y143 T144 K146 | K79-W81 HydrophobicContact CB-CE3 4.09Å; K79-W81 HydrophobicContact CB-CZ3 3.91Å; K79-W81 HydrophobicContact CD-CE3 3.7Å; K79-W81 HydrophobicContact CD-CZ3 3.79Å; K79-W81 HydrophobicContact CG-CE3 3.7Å; K79-W81 HydrophobicContact CG-CZ3 3.94Å; W81-E119 HydrophobicContact CB-CG 4.42Å; W81-Y143 WeakPolarHBondContact O-CA 3.42Å; W81-T144 HydrophobicContact CH2-CG2 4.01Å; W81-T144 HydrophobicContact CZ2-CG2 3.37Å; W81-T144 PolarHBondContact N-O 2.82Å; W81-T144 VanDerWaalsContact N-O 3.09Å; W81-T144 VanDerWaalsContact NE1-CB 3.26Å; W81-T144 PolarHBondContact NE1-OG1 2.94Å; W81-T144 PolarHBondContact O-N 3.33Å; W81-K146 HydrophobicContact CH2-CB 3.61Å; W81-K146 HydrophobicContact CH2-CD 4.1Å; W81-K146 HydrophobicContact CH2-CG 4.49Å; W81-K146 HydrophobicContact CZ3-CB 3.72Å |
| 82 | S | 70.3 | Confident | 64.8 | Low | 13 Ų | 13 | 52.3 Ų | 52.3 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 148.5 | -179 | 167.7 | 0 | 0 | 0 | 0 | 109.2 | K84 Q142 | S82-K84 WeakPolarHBondContact CB-O 3.41Å; S82-K84 PolarHBondContact O-N 2.89Å; S82-K84 PolarHBondContact OG-N 3.23Å; S82-K84 VanDerWaalsContact OG-N 3.16Å; S82-K84 PolarHBondContact OG-O 2.93Å; S82-Q142 PolarHBondContact OG-O 2.93Å |
| 83 | S | 60.5 | Low | 63.6 | Low | 109 Ų | 109 | 53 Ų | 53 | 76% | 0.762 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -70.1 | -14.5 | 174.6 | 60.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 84 | K | 59.8 | Low | 62.1 | Low | 119 Ų | 119 | 58.6 Ų | 58.6 | 52% | 0.517 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -130.8 | 155.2 | 179.2 | -62.7 | -175.3 | -179 | 178.5 | 0 | 110.8 | S82 F86 A141 | S82-K84 WeakPolarHBondContact CB-O 3.41Å; S82-K84 PolarHBondContact O-N 2.89Å; S82-K84 PolarHBondContact OG-N 3.23Å; S82-K84 VanDerWaalsContact OG-N 3.16Å; S82-K84 PolarHBondContact OG-O 2.93Å; K84-F86 PolarHBondContact O-N 3.04Å; K84-A141 HydrophobicContact CB-CB 3.91Å; K84-A141 HydrophobicContact CD-CB 4.2Å; K84-A141 HydrophobicContact CG-CB 4.28Å |
| 85 | V | 57.5 | Low | 60.5 | Low | 54 Ų | 54 | 66.9 Ų | 66.9 | 33% | 0.327 | 33% | 0.333 | S | S | . | . | trans | -55 | 131.2 | -179.1 | -162.4 | 0 | 0 | 0 | 0 | 111 | Q116 T138 | V85-Q116 HydrophobicContact CG1-CB 3.94Å; V85-Q116 HydrophobicContact CG1-CG 4.12Å; V85-T138 WeakPolarHBondContact O-CB 3.48Å; V85-T138 PolarHBondContact O-OG1 3.3Å | ||
| 86 | F | 57.8 | Low | 58.9 | Low | 10 Ų | 10 | 68.6 Ų | 68.6 | 4% | 0.044 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 154 | -178.3 | 62.5 | -75.6 | 0 | 0 | 0 | 111 | V80 K84 V88 N118 T120 V135 P137 | V80-F86 HydrophobicContact CB-CE2 3.87Å; V80-F86 HydrophobicContact CB-CZ 4.12Å; V80-F86 HydrophobicContact CG1-CD2 4.21Å; V80-F86 HydrophobicContact CG1-CE2 3.47Å; V80-F86 VanDerWaalsContact CG1-CE2 3.47Å; V80-F86 HydrophobicContact CG1-CZ 3.91Å; V80-F86 WeakPolarHBondContact O-CZ 3.33Å; K84-F86 PolarHBondContact O-N 3.04Å; F86-V88 HydrophobicContact CD2-CG2 3.41Å; F86-V88 VanDerWaalsContact CD2-CG2 3.41Å; F86-V88 HydrophobicContact CE2-CG2 3.21Å; F86-V88 HydrophobicContact CZ-CG2 4.4Å; F86-N118 WeakPolarHBondContact CE1-O 3.22Å; F86-T120 HydrophobicContact CE2-CG2 4Å; F86-T120 WeakPolarHBondContact CE2-OG1 3.33Å; F86-T120 HydrophobicContact CZ-CG2 3.8Å; F86-T120 VanDerWaalsContact CZ-OG1 3.28Å; F86-T120 WeakPolarHBondContact CZ-OG1 3.33Å; F86-V135 HydrophobicContact CD2-CG1 4.16Å; F86-P137 HydrophobicContact CB-CB 4.49Å |
| 87 | K | 54.5 | Low | 57.3 | Low | 121 Ų | 121 | 75.5 Ų | 75.5 | 53% | 0.526 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 115.7 | 178.2 | -170.5 | 179 | -180 | -175.7 | 0 | 108.7 | Q89 D136 | K87-Q89 HydrophobicContact CG-CG 4.46Å; K87-D136 PolarHBondContact N-O 3.4Å; K87-D136 PolarHBondContact O-N 2.92Å |
| 88 | V | 54 | Low | 55.4 | Low | 15 Ų | 15 | 82 Ų | 82 | 9% | 0.091 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 127.4 | 171.6 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | F86 T90 T120 I122 | F86-V88 HydrophobicContact CD2-CG2 3.41Å; F86-V88 VanDerWaalsContact CD2-CG2 3.41Å; F86-V88 HydrophobicContact CE2-CG2 3.21Å; F86-V88 HydrophobicContact CZ-CG2 4.4Å; V88-T90 HydrophobicContact CG1-CG2 4Å; V88-T120 HydrophobicContact CG2-CG2 4.28Å; V88-T120 WeakPolarHBondContact CG2-OG1 3.28Å; V88-I122 HydrophobicContact CG1-CD1 3.47Å; V88-I122 VanDerWaalsContact CG1-CD1 3.47Å; V88-I122 HydrophobicContact CG1-CG1 3.9Å |
| 89 | Q | 53.5 | Low | 53.4 | Low | 77 Ų | 77 | 89.5 Ų | 89.5 | 36% | 0.36 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 109.3 | 169.6 | -62.6 | -174.3 | 43.5 | 0 | 0 | 108 | K87 K134 | K87-Q89 HydrophobicContact CG-CG 4.46Å; Q89-K134 PolarHBondContact N-O 3.38Å; Q89-K134 PolarHBondContact O-N 2.84Å; Q89-K134 VanDerWaalsContact O-O 3.13Å |
| 90 | T | 47.1 | Very low | 51.3 | Low | 72 Ų | 72 | 94 Ų | 94 | 44% | 0.442 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 128.7 | 175.7 | 51.2 | 0 | 0 | 0 | 0 | 108.9 | V88 I122 F133 | V88-T90 HydrophobicContact CG1-CG2 4Å; T90-I122 HydrophobicContact CG2-CB 4.14Å; T90-I122 HydrophobicContact CG2-CD1 3.9Å; T90-I122 HydrophobicContact CG2-CG1 3.7Å; T90-I122 HydrophobicContact CG2-CG2 3.45Å; T90-I122 VanDerWaalsContact CG2-CG2 3.45Å; T90-F133 HydrophobicContact CG2-CB 4.31Å |
| 91 | V | 48.3 | Very low | 49.5 | Very low | 56 Ų | 56 | 102.5 Ų | 102.5 | 34% | 0.339 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 115.9 | -179.2 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | G93 C132 | V91-G93 VanDerWaalsContact C-N 3.3Å; V91-G93 PolarHBondContact O-N 3.19Å; V91-C132 CarbonylContact C-O 3.5Å; V91-C132 PolarHBondContact N-O 2.92Å |
| 92 | E | 43.4 | Very low | 47.5 | Very low | 135 Ų | 135 | 110 Ų | 110 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -81.7 | 75.8 | -175.2 | -152.9 | 166.2 | -165.7 | 0 | 0 | 110.3 | C128 | E92-C128 PolarHBondContact OE1-SG 2.95Š|
| 93 | G | 46.2 | Very low | 46 | Very low | 26 Ų | 26 | 117.2 Ų | 117.2 | 27% | 0.268 | 57% | 0.572 | S | S | . | * | S | Bend | trans | 110.9 | 157.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115 | V91 E95 | V91-G93 VanDerWaalsContact C-N 3.3Å; V91-G93 PolarHBondContact O-N 3.19Å; G93-E95 VanDerWaalsContact C-N 3.33Å; G93-E95 PolarHBondContact O-N 3.3Å |
| 94 | E | 44.7 | Very low | 45.2 | Very low | 155 Ų | 155 | 118.3 Ų | 118.3 | 72% | 0.724 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -81.4 | -6 | -172.5 | -165.1 | 161.6 | -168.8 | 0 | 0 | 113.6 | ||
| 95 | E | 42.6 | Very low | 44.2 | Very low | 191 Ų | 191 | 117.8 Ų | 117.8 | 89% | 0.893 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -105.3 | -7.7 | -170 | -68.4 | -175.9 | 168.5 | 0 | 0 | 116 | G93 | G93-E95 VanDerWaalsContact C-N 3.33Å; G93-E95 PolarHBondContact O-N 3.3Å |
| 96 | E | 42.3 | Very low | 43.2 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 53% | 0.528 | 59% | 0.591 | S | S | . | * | trans | -113.9 | 47.1 | 179.8 | -69.4 | -166.5 | -178.8 | 0 | 0 | 113.6 | ||||
| 97 | L | 39.5 | Very low | 42.1 | Very low | 145 Ų | 145 | 126.2 Ų | 126.2 | 76% | 0.759 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -81.2 | -0.2 | 168.6 | -104 | 162.9 | 0 | 0 | 0 | 113.6 | ||
| 98 | Q | 35.8 | Very low | 41.3 | Very low | 185 Ų | 185 | 127.7 Ų | 127.7 | 86% | 0.864 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -128.5 | -9.4 | -176 | -112.6 | 175.3 | -18.1 | 0 | 0 | 116.4 | ||
| 99 | E | 35.1 | Very low | 40.4 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 73% | 0.734 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -111.2 | -9.1 | -176.8 | -69 | -151.8 | 154.3 | 0 | 0 | 116 | E101 | E99-E101 PolarHBondContact O-N 3.31Å; E99-E101 VanDerWaalsContact O-N 3.15Å |
| 100 | L | 35.3 | Very low | 39.8 | Very low | 148 Ų | 148 | 130.6 Ų | 130.6 | 78% | 0.775 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 25.2 | 174.8 | -118.6 | 86.7 | 0 | 0 | 0 | 114.5 | R102 | L100-R102 VanDerWaalsContact C-N 3.31Š|
| 101 | E | 38.9 | Very low | 39.4 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 83% | 0.832 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 19 | 169.4 | -118.1 | -178 | -165.9 | 0 | 0 | 112.9 | E99 F103 | E99-E101 PolarHBondContact O-N 3.31Å; E99-E101 VanDerWaalsContact O-N 3.15Å; E101-F103 PolarHBondContact O-N 2.89Å |
| 102 | R | 31 | Very low | 38.9 | Very low | 232 Ų | 232 | 138 Ų | 138 | 88% | 0.875 | 65% | 0.65 | S | S | * | * | trans | -96.3 | 85.1 | 165.2 | -135.8 | 173.3 | -154.1 | -166.5 | 5.2 | 110.6 | L100 N104 | L100-R102 VanDerWaalsContact C-N 3.31Å; R102-N104 PolarHBondContact O-N 3.43Å; R102-N104 VanDerWaalsContact O-N 3.15Å | ||
| 103 | F | 38.3 | Very low | 38.7 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 72% | 0.719 | 64% | 0.639 | S | S | * | * | trans | -50.6 | 117.2 | 164.6 | -87.4 | -87.4 | 0 | 0 | 0 | 110.2 | E101 | E101-F103 PolarHBondContact O-N 2.89Š| ||
| 104 | N | 43.9 | Very low | 38.5 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 70% | 0.701 | 65% | 0.654 | S | S | * | * | trans | -145.9 | 90.5 | 163.9 | -157.3 | 17 | 0 | 0 | 0 | 110.3 | R102 W106 | R102-N104 PolarHBondContact O-N 3.43Å; R102-N104 VanDerWaalsContact O-N 3.15Å; N104-W106 PolarHBondContact O-N 3.42Å | ||
| 105 | V | 39 | Very low | 38.5 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 66% | 0.661 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 61.3 | -42.6 | 164 | -171.3 | 0 | 0 | 0 | 0 | 117.7 | W108 F109 | V105-W108 PolarHBondContact O-N 2.89Å; V105-F109 PolarHBondContact O-N 3.03Å; V105-F109 VanDerWaalsContact O-N 3.13Å |
| 106 | W | 36.5 | Very low | 38.7 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 65% | 0.652 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.1 | -37.4 | -178.5 | -163.7 | -111.9 | 0 | 0 | 0 | 113.3 | N104 W108 F109 L110 | N104-W106 PolarHBondContact O-N 3.42Å; W106-W108 VanDerWaalsContact C-N 3.34Å; W106-W108 PolarHBondContact O-N 2.91Å; W106-F109 HydrophobicContact CE3-CD1 4.3Å; W106-F109 HydrophobicContact CZ3-CD1 4.18Å; W106-F109 HydrophobicContact CZ3-CE1 4.44Å; W106-F109 PolarHBondContact O-N 2.92Å; W106-L110 VanDerWaalsContact CD1-CD1 3.42Å; W106-L110 HydrophobicContact CG-CD1 4.26Å; W106-L110 WeakPolarHBondContact O-CB 3.33Å; W106-L110 WeakPolarHBondContact O-CG 3.34Å; W106-L110 PolarHBondContact O-N 3.09Å |
| 107 | S | 34.9 | Very low | 39 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 48% | 0.476 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.7 | -35.2 | 177 | -170 | 0 | 0 | 0 | 0 | 112.1 | F111 | S107-F111 WeakPolarHBondContact O-CB 3.09Å; S107-F111 PolarHBondContact O-N 3.43Å |
| 108 | W | 38.1 | Very low | 39.6 | Very low | 152 Ų | 152 | 134.2 Ų | 134.2 | 58% | 0.576 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.8 | -41.3 | 173.8 | -178.6 | 77 | 0 | 0 | 0 | 111.9 | V105 W106 F111 F112 | V105-W108 PolarHBondContact O-N 2.89Å; W106-W108 VanDerWaalsContact C-N 3.34Å; W106-W108 PolarHBondContact O-N 2.91Å; W108-F111 PolarHBondContact O-N 2.94Å; W108-F112 PolarHBondContact O-N 3.13Å |
| 109 | F | 33.6 | Very low | 40.5 | Very low | 67 Ų | 67 | 130.3 Ų | 130.3 | 29% | 0.294 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63 | -44.6 | 175 | -177 | -110.7 | 0 | 0 | 0 | 112.6 | V105 W106 F112 L113 L221 | V105-F109 PolarHBondContact O-N 3.03Å; V105-F109 VanDerWaalsContact O-N 3.13Å; W106-F109 HydrophobicContact CE3-CD1 4.3Å; W106-F109 HydrophobicContact CZ3-CD1 4.18Å; W106-F109 HydrophobicContact CZ3-CE1 4.44Å; W106-F109 PolarHBondContact O-N 2.92Å; F109-F112 PolarHBondContact O-N 2.95Å; F109-L113 HydrophobicContact CD1-CD1 3.83Å; F109-L113 HydrophobicContact CD2-CD1 4.44Å; F109-L113 HydrophobicContact CE1-CD1 3.37Å; F109-L113 HydrophobicContact CE2-CD1 4.02Å; F109-L113 HydrophobicContact CG-CD1 4.35Å; F109-L113 HydrophobicContact CZ-CD1 3.48Å; F109-L113 VanDerWaalsContact CZ-CD1 3.48Å; F109-L113 PolarHBondContact O-N 3.38Å; F109-L113 VanDerWaalsContact O-N 3.11Å; F109-L221 HydrophobicContact CE2-CD1 3.67Å; F109-L221 HydrophobicContact CZ-CD1 4.14Å |
| 110 | L | 41.1 | Very low | 41.8 | Very low | 86 Ų | 86 | 124.4 Ų | 124.4 | 45% | 0.45 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.8 | -33.5 | 174.8 | -75.2 | 170.4 | 0 | 0 | 0 | 112.7 | W106 L113 R114 | W106-L110 VanDerWaalsContact CD1-CD1 3.42Å; W106-L110 HydrophobicContact CG-CD1 4.26Å; W106-L110 WeakPolarHBondContact O-CB 3.33Å; W106-L110 WeakPolarHBondContact O-CG 3.34Å; W106-L110 PolarHBondContact O-N 3.09Å; L110-L113 PolarHBondContact O-N 3.09Å; L110-R114 VanDerWaalsContact O-CB 3.24Å; L110-R114 WeakPolarHBondContact O-CB 3.32Å; L110-R114 PolarHBondContact O-N 2.78Å |
| 111 | F | 39.3 | Very low | 43.2 | Very low | 162 Ų | 162 | 120.9 Ų | 120.9 | 71% | 0.711 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.8 | -38.8 | 174.2 | -178 | -96.7 | 0 | 0 | 0 | 111.8 | S107 W108 R114 | S107-F111 WeakPolarHBondContact O-CB 3.09Å; S107-F111 PolarHBondContact O-N 3.43Å; W108-F111 PolarHBondContact O-N 2.94Å; F111-R114 PolarHBondContact O-N 3.27Å |
| 112 | F | 37.7 | Very low | 44.5 | Very low | 121 Ų | 121 | 113.1 Ų | 113.1 | 53% | 0.531 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72 | -29.9 | 177.7 | -158.4 | -96.3 | 0 | 0 | 0 | 113 | W108 F109 Y222 | W108-F112 PolarHBondContact O-N 3.13Å; F109-F112 PolarHBondContact O-N 2.95Å; F112-Y222 AromaticContact CE1-CD2 3.95Å; F112-Y222 HydrophobicContact CE1-CD2 3.95Å; F112-Y222 HydrophobicContact CZ-CD2 4.38Å |
| 113 | L | 40.1 | Very low | 45.9 | Very low | 76 Ų | 76 | 106.1 Ų | 106.1 | 40% | 0.398 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -83.9 | -13.5 | 174.7 | -77.7 | 164.7 | 0 | 0 | 0 | 114.1 | F109 L110 E115 | F109-L113 HydrophobicContact CD1-CD1 3.83Å; F109-L113 HydrophobicContact CD2-CD1 4.44Å; F109-L113 HydrophobicContact CE1-CD1 3.37Å; F109-L113 HydrophobicContact CE2-CD1 4.02Å; F109-L113 HydrophobicContact CG-CD1 4.35Å; F109-L113 HydrophobicContact CZ-CD1 3.48Å; F109-L113 VanDerWaalsContact CZ-CD1 3.48Å; F109-L113 PolarHBondContact O-N 3.38Å; F109-L113 VanDerWaalsContact O-N 3.11Å; L110-L113 PolarHBondContact O-N 3.09Å; L113-E115 PolarHBondContact O-N 3.08Å |
| 114 | R | 40.9 | Very low | 47.2 | Very low | 156 Ų | 156 | 98.4 Ų | 98.4 | 59% | 0.589 | 47% | 0.471 | S | S | * | . | trans | -87.1 | 77.4 | -176.2 | -166.8 | 140.8 | 84.5 | 175 | 7.1 | 111 | L110 F111 | L110-R114 VanDerWaalsContact O-CB 3.24Å; L110-R114 WeakPolarHBondContact O-CB 3.32Å; L110-R114 PolarHBondContact O-N 2.78Å; F111-R114 PolarHBondContact O-N 3.27Å | ||
| 115 | E | 44.2 | Very low | 48 | Very low | 87 Ų | 87 | 94.9 Ų | 94.9 | 41% | 0.407 | 45% | 0.452 | S | S | . | . | trans | -63 | 134.5 | 171.4 | -153.9 | 147.9 | -163.5 | 0 | 0 | 109.4 | L113 H117 R229 | L113-E115 PolarHBondContact O-N 3.08Å; E115-H117 PolarHBondContact O-CD2 2.92Å; E115-H117 PolarHBondContact O-N 3.01Å; E115-R229 IonicContact OE1-NH1 2.99Å; E115-R229 PolarHBondContact OE1-NH1 3Å; E115-R229 IonicContact OE2-NH1 3.99Å | ||
| 116 | Q | 46.4 | Very low | 48.9 | Very low | 154 Ų | 154 | 90 Ų | 90 | 72% | 0.72 | 42% | 0.423 | S | S | * | . | trans | -68.6 | 102.5 | -180 | -79.4 | -173.4 | -32.8 | 0 | 0 | 109.5 | V85 | V85-Q116 HydrophobicContact CG1-CB 3.94Å; V85-Q116 HydrophobicContact CG1-CG 4.12Å | ||
| 117 | H | 49.9 | Very low | 49.8 | Very low | 110 Ų | 110 | 86.2 Ų | 86.2 | 51% | 0.509 | 41% | 0.411 | S | S | . | . | trans | -95.9 | 145.1 | 177.8 | -65.7 | -70 | 0 | 0 | 0 | 112 | E115 E119 | E115-H117 PolarHBondContact O-CD2 2.92Å; E115-H117 PolarHBondContact O-N 3.01Å; H117-E119 WeakPolarHBondContact CB-O 3.47Å; H117-E119 PolarHBondContact O-N 2.91Å | ||
| 118 | N | 51.7 | Low | 50.9 | Low | 104 Ų | 104 | 84.5 Ų | 84.5 | 56% | 0.556 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -68.8 | -16.5 | 170.8 | -65.5 | -21.4 | 0 | 0 | 0 | 112.5 | F86 | F86-N118 WeakPolarHBondContact CE1-O 3.22Š|
| 119 | E | 54.9 | Low | 51.9 | Low | 103 Ų | 103 | 85.7 Ų | 85.7 | 48% | 0.481 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 124.7 | 172.3 | -58.4 | -165.8 | 150.1 | 0 | 0 | 108.3 | K79 W81 H117 | K79-E119 VanDerWaalsContact CE-CD 3.41Å; K79-E119 WeakPolarHBondContact CE-OE1 3.47Å; K79-E119 WeakPolarHBondContact CE-OE2 3.34Å; K79-E119 IonicContact NZ-OE1 3.91Å; K79-E119 PolarHBondContact NZ-OE1 3.41Å; K79-E119 IonicContact NZ-OE2 2.82Å; K79-E119 PolarHBondContact NZ-OE2 3.24Å; W81-E119 HydrophobicContact CB-CG 4.42Å; H117-E119 WeakPolarHBondContact CB-O 3.47Å; H117-E119 PolarHBondContact O-N 2.91Å |
| 120 | T | 62.8 | Low | 53.5 | Low | 33 Ų | 33 | 88.5 Ų | 88.5 | 20% | 0.202 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.9 | 173.6 | 60.8 | 0 | 0 | 0 | 0 | 109.1 | V80 F86 V88 | V80-T120 PolarHBondContact N-O 3.45Å; V80-T120 VanDerWaalsContact N-O 3.09Å; V80-T120 PolarHBondContact O-N 2.85Å; V80-T120 VanDerWaalsContact O-N 3.13Å; F86-T120 HydrophobicContact CE2-CG2 4Å; F86-T120 WeakPolarHBondContact CE2-OG1 3.33Å; F86-T120 HydrophobicContact CZ-CG2 3.8Å; F86-T120 VanDerWaalsContact CZ-OG1 3.28Å; F86-T120 WeakPolarHBondContact CZ-OG1 3.33Å; V88-T120 HydrophobicContact CG2-CG2 4.28Å; V88-T120 WeakPolarHBondContact CG2-OG1 3.28Å |
| 121 | V | 63.5 | Low | 54.9 | Low | 73 Ų | 73 | 85 Ų | 85 | 44% | 0.442 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 113.6 | 176 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | Y77 | Y77-V121 HydrophobicContact CD2-CG1 3.62Å; Y77-V121 HydrophobicContact CE2-CG1 4.5Å; Y77-V121 HydrophobicContact CG-CG1 3.77Å |
| 122 | I | 67.6 | Low | 56.5 | Low | 16 Ų | 16 | 78.7 Ų | 78.7 | 8% | 0.082 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 117.7 | 175.5 | -58.6 | 167.2 | 0 | 0 | 0 | 107.4 | Y77 V78 V80 V88 T90 F133 | Y77-I122 CarbonylContact C-O 3.49Å; Y77-I122 WeakPolarHBondContact CA-O 3.16Å; Y77-I122 WeakPolarHBondContact CB-O 3.31Å; V78-I122 HydrophobicContact CB-CB 4.33Å; V78-I122 PolarHBondContact N-O 3.06Å; V78-I122 PolarHBondContact O-N 2.86Å; V80-I122 HydrophobicContact CG2-CD1 4.26Å; V88-I122 HydrophobicContact CG1-CD1 3.47Å; V88-I122 VanDerWaalsContact CG1-CD1 3.47Å; V88-I122 HydrophobicContact CG1-CG1 3.9Å; T90-I122 HydrophobicContact CG2-CB 4.14Å; T90-I122 HydrophobicContact CG2-CD1 3.9Å; T90-I122 HydrophobicContact CG2-CG1 3.7Å; T90-I122 HydrophobicContact CG2-CG2 3.45Å; T90-I122 VanDerWaalsContact CG2-CG2 3.45Å; I122-F133 HydrophobicContact CD1-CB 4.37Å; I122-F133 HydrophobicContact CD1-CD1 4.25Å; I122-F133 HydrophobicContact CD1-CD2 3.47Å; I122-F133 VanDerWaalsContact CD1-CD2 3.47Å; I122-F133 HydrophobicContact CD1-CE1 4.44Å; I122-F133 HydrophobicContact CD1-CE2 3.7Å; I122-F133 HydrophobicContact CD1-CG 3.77Å; I122-F133 HydrophobicContact CD1-CZ 4.19Å |
| 123 | N | 60.6 | Low | 58.2 | Low | 84 Ų | 84 | 73.2 Ų | 73.2 | 45% | 0.449 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 127.6 | 174.8 | -59.1 | -55.8 | 0 | 0 | 0 | 109.4 | R75 | R75-N123 VanDerWaalsContact CZ-OD1 3.23Å; R75-N123 PolarHBondContact NE-OD1 3.37Å; R75-N123 VanDerWaalsContact NH2-CG 3.3Å; R75-N123 PolarHBondContact NH2-ND2 2.79Å; R75-N123 PolarHBondContact NH2-OD1 3.34Å |
| 124 | I | 65.5 | Low | 59.7 | Low | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.2 | 174.9 | -67.6 | 176.5 | 0 | 0 | 0 | 107.8 | Y61 I76 V78 T131 Q289 | Y61-I124 HydrophobicContact CD1-CD1 3.59Å; Y61-I124 HydrophobicContact CD1-CG2 4.01Å; Y61-I124 HydrophobicContact CD2-CD1 4.29Å; Y61-I124 HydrophobicContact CE1-CD1 4.3Å; Y61-I124 HydrophobicContact CE1-CG2 4.34Å; Y61-I124 HydrophobicContact CG-CD1 3.57Å; I76-I124 HydrophobicContact CB-CB 4.24Å; I76-I124 HydrophobicContact CG2-CB 4.02Å; I76-I124 HydrophobicContact CG2-CD1 4.19Å; I76-I124 HydrophobicContact CG2-CG2 4.31Å; I76-I124 PolarHBondContact O-N 3.24Å; V78-I124 HydrophobicContact CG2-CD1 3.41Å; V78-I124 VanDerWaalsContact CG2-CD1 3.41Å; V78-I124 HydrophobicContact CG2-CG1 4.25Å; I124-T131 WeakPolarHBondContact CD1-OG1 3.19Å; I124-T131 WeakPolarHBondContact CG1-OG1 3.16Å; I124-T131 HydrophobicContact CG2-CG2 3.84Å; I124-T131 WeakPolarHBondContact CG2-OG1 3.38Å; I124-Q289 PolarHBondContact O-NE2 3.16Å |
| 125 | N | 60.5 | Low | 61.2 | Low | 57 Ų | 57 | 66 Ų | 66 | 31% | 0.305 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 130 | 173.2 | -170 | -6.7 | 0 | 0 | 0 | 109.9 | F127 C128 | N125-F127 PolarHBondContact O-N 3.46Å; N125-F127 VanDerWaalsContact O-N 3.17Å; N125-C128 HydrophobicContact CB-CB 4.33Å; N125-C128 PolarHBondContact O-N 2.92Å |
| 126 | L | 57.8 | Low | 62.4 | Low | 7 Ų | 7 | 63.4 Ų | 63.4 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -24.6 | -174.4 | -83.3 | 82.6 | 0 | 0 | 0 | 113.2 | N63 T74 I76 Q289 | N63-L126 PolarHBondContact ND2-O 3.49Å; T74-L126 VanDerWaalsContact O-CD1 3.32Å; T74-L126 WeakPolarHBondContact O-CD1 3.42Å; I76-L126 HydrophobicContact CD1-CG 4.14Å; I76-L126 HydrophobicContact CG1-CG 4.43Å; L126-Q289 HydrophobicContact CD1-CB 4.44Å; L126-Q289 HydrophobicContact CD1-CG 3.91Å; L126-Q289 VanDerWaalsContact CD1-NE2 3.32Å |
| 127 | F | 54.8 | Low | 63.3 | Low | 92 Ų | 92 | 56.9 Ų | 56.9 | 40% | 0.404 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -14 | -179 | -82.4 | -98.1 | 0 | 0 | 0 | 114.3 | P67 N125 K129 I290 | P67-F127 HydrophobicContact CG-CE1 4.27Å; P67-F127 HydrophobicContact CG-CE2 4.1Å; P67-F127 HydrophobicContact CG-CZ 3.77Å; N125-F127 PolarHBondContact O-N 3.46Å; N125-F127 VanDerWaalsContact O-N 3.17Å; F127-K129 PolarHBondContact O-N 3.07Å; F127-K129 VanDerWaalsContact O-N 3.11Å; F127-I290 HydrophobicContact CD2-CG1 4.27Å; F127-I290 HydrophobicContact CD2-CG2 3.94Å; F127-I290 HydrophobicContact CE2-CB 3.9Å; F127-I290 HydrophobicContact CE2-CD1 3.79Å; F127-I290 HydrophobicContact CE2-CG1 3.63Å; F127-I290 HydrophobicContact CE2-CG2 3.13Å; F127-I290 HydrophobicContact CZ-CD1 4.49Å; F127-I290 HydrophobicContact CZ-CG2 3.6Å |
| 128 | C | 57.8 | Low | 64 | Low | 32 Ų | 32 | 55.4 Ų | 55.4 | 22% | 0.216 | 28% | 0.282 | C | S | . | . | trans | -72.4 | 109.2 | 174.3 | -72.2 | 0 | 0 | 0 | 0 | 108.3 | E92 N125 K130 T131 | E92-C128 PolarHBondContact OE1-SG 2.95Å; N125-C128 HydrophobicContact CB-CB 4.33Å; N125-C128 PolarHBondContact O-N 2.92Å; C128-K130 PolarHBondContact O-N 3.44Å; C128-K130 VanDerWaalsContact O-N 3.16Å; C128-T131 HydrophobicContact CB-CG2 3.54Å | ||
| 129 | K | 60.3 | Low | 64.4 | Low | 178 Ų | 178 | 54.7 Ų | 54.7 | 77% | 0.774 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -57.2 | -30.6 | 178.9 | -67.8 | -177.7 | 179.2 | 178 | 0 | 112 | K62 N63 F127 | K62-K129 WeakPolarHBondContact CA-O 3.4Å; N63-K129 PolarHBondContact N-O 3.04Å; N63-K129 VanDerWaalsContact N-O 3.13Å; F127-K129 PolarHBondContact O-N 3.07Å; F127-K129 VanDerWaalsContact O-N 3.11Å |
| 130 | K | 66.9 | Low | 64.7 | Low | 126 Ų | 126 | 52 Ų | 52 | 55% | 0.548 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 128 | 176.7 | -57.1 | -172.6 | -177.9 | 171.2 | 0 | 109.4 | Y61 K62 C128 | Y61-K130 WeakPolarHBondContact O-CA 3.43Å; K62-K130 HydrophobicContact CG-CG 4.21Å; C128-K130 PolarHBondContact O-N 3.44Å; C128-K130 VanDerWaalsContact O-N 3.16Å |
| 131 | T | 69.4 | Low | 65 | Low | 13 Ų | 13 | 50.8 Ų | 50.8 | 8% | 0.08 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.3 | 168.3 | 52.3 | 0 | 0 | 0 | 0 | 108.8 | C60 Y61 I124 C128 | C60-T131 WeakPolarHBondContact CA-O 3.46Å; Y61-T131 PolarHBondContact N-O 3.28Å; Y61-T131 PolarHBondContact O-N 3.35Å; I124-T131 WeakPolarHBondContact CD1-OG1 3.19Å; I124-T131 WeakPolarHBondContact CG1-OG1 3.16Å; I124-T131 HydrophobicContact CG2-CG2 3.84Å; I124-T131 WeakPolarHBondContact CG2-OG1 3.38Å; C128-T131 HydrophobicContact CB-CG2 3.54Å |
| 132 | C | 72.9 | Confident | 65.5 | Low | 28 Ų | 28 | 52.4 Ų | 52.4 | 19% | 0.189 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 145 | -179.4 | -60.7 | 0 | 0 | 0 | 0 | 110.3 | F59 C60 V91 | F59-C132 CarbonylContact O-C 3.54Å; F59-C132 WeakPolarHBondContact O-CA 3.33Å; C60-C132 HydrophobicContact CB-CB 4.21Å; C60-C132 WeakPolarHBondContact CB-SG 3.34Å; C60-C132 WeakPolarHBondContact SG-CB 3.34Å; C60-C132 CovalentContact SG-SG 2.05Å; C60-C132 PolarHBondContact SG-SG 3.01Å; V91-C132 CarbonylContact C-O 3.5Å; V91-C132 PolarHBondContact N-O 2.92Å |
| 133 | F | 73.9 | Confident | 65.8 | Low | 7 Ų | 7 | 51.7 Ų | 51.7 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 149.8 | 176.6 | 61.2 | -87.1 | 0 | 0 | 0 | 110.2 | L45 F59 V78 V80 T90 I122 V135 V145 | L45-F133 HydrophobicContact CD1-CE1 3.66Å; L45-F133 HydrophobicContact CD1-CZ 3.57Å; F59-F133 HydrophobicContact CB-CD1 4.28Å; F59-F133 HydrophobicContact CB-CD2 4.33Å; F59-F133 HydrophobicContact CB-CE1 3.76Å; F59-F133 HydrophobicContact CB-CE2 3.83Å; F59-F133 HydrophobicContact CB-CZ 3.51Å; F59-F133 HydrophobicContact CD2-CD2 4.22Å; F59-F133 AromaticContact CD2-CE2 3.62Å; F59-F133 HydrophobicContact CD2-CE2 3.62Å; F59-F133 HydrophobicContact CD2-CZ 4.06Å; F59-F133 AromaticContact CG-CE2 4Å; F59-F133 HydrophobicContact CG-CE2 4Å; F59-F133 AromaticContact CG-CZ 3.95Å; F59-F133 HydrophobicContact CG-CZ 3.95Å; F59-F133 PolarHBondContact N-O 3.14Å; F59-F133 PolarHBondContact O-N 3.36Å; V78-F133 HydrophobicContact CB-CE1 4.43Å; V78-F133 HydrophobicContact CB-CZ 4.26Å; V78-F133 HydrophobicContact CG1-CE1 4.39Å; V78-F133 HydrophobicContact CG1-CZ 3.8Å; V78-F133 HydrophobicContact CG2-CE1 4.03Å; V78-F133 HydrophobicContact CG2-CZ 4.28Å; V80-F133 HydrophobicContact CG2-CE2 4.44Å; T90-F133 HydrophobicContact CG2-CB 4.31Å; I122-F133 HydrophobicContact CD1-CB 4.37Å; I122-F133 HydrophobicContact CD1-CD1 4.25Å; I122-F133 HydrophobicContact CD1-CD2 3.47Å; I122-F133 VanDerWaalsContact CD1-CD2 3.47Å; I122-F133 HydrophobicContact CD1-CE1 4.44Å; I122-F133 HydrophobicContact CD1-CE2 3.7Å; I122-F133 HydrophobicContact CD1-CG 3.77Å; I122-F133 HydrophobicContact CD1-CZ 4.19Å; F133-V135 HydrophobicContact CD2-CG2 3.62Å; F133-V135 HydrophobicContact CE2-CG2 3.57Å; F133-V145 HydrophobicContact CZ-CG1 4.08Å |
| 134 | K | 71.5 | Confident | 66.7 | Low | 79 Ų | 79 | 48.8 Ų | 48.8 | 34% | 0.343 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.3 | 177.9 | -169.3 | -173.8 | -178.8 | -138 | 0 | 108.6 | R58 Q89 D136 | R58-K134 HydrophobicContact CG-CG 4.46Å; Q89-K134 PolarHBondContact N-O 3.38Å; Q89-K134 PolarHBondContact O-N 2.84Å; Q89-K134 VanDerWaalsContact O-O 3.13Å; K134-D136 WeakPolarHBondContact CE-OD1 3.07Å; K134-D136 WeakPolarHBondContact CE-OD2 3.22Å; K134-D136 VanDerWaalsContact NZ-CG 3.28Å; K134-D136 IonicContact NZ-OD1 2.68Å; K134-D136 PolarHBondContact NZ-OD1 3.46Å; K134-D136 IonicContact NZ-OD2 3.32Å; K134-D136 PolarHBondContact NZ-OD2 3.16Å |
| 135 | V | 72 | Confident | 67.4 | Low | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 116.9 | 173.2 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | P56 N57 F59 V80 F86 F133 P137 Y143 | P56-V135 WeakPolarHBondContact CA-O 3.45Å; N57-V135 PolarHBondContact N-O 3.35Å; N57-V135 PolarHBondContact O-N 3.31Å; F59-V135 HydrophobicContact CD2-CG2 3.97Å; F59-V135 HydrophobicContact CE2-CB 4.21Å; F59-V135 HydrophobicContact CE2-CG2 3.95Å; V80-V135 HydrophobicContact CG1-CG1 4.33Å; F86-V135 HydrophobicContact CD2-CG1 4.16Å; F133-V135 HydrophobicContact CD2-CG2 3.62Å; F133-V135 HydrophobicContact CE2-CG2 3.57Å; V135-P137 WeakPolarHBondContact O-CD 3.22Å; V135-Y143 HydrophobicContact CB-CE2 4.03Å; V135-Y143 HydrophobicContact CG1-CD2 3.95Å; V135-Y143 HydrophobicContact CG1-CE1 4.47Å; V135-Y143 HydrophobicContact CG1-CE2 3.81Å; V135-Y143 HydrophobicContact CG1-CG 4.33Å; V135-Y143 HydrophobicContact CG2-CE2 4.45Å |
| 136 | D | 69 | Low | 68.4 | Low | 33 Ų | 33 | 48.6 Ų | 48.6 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 99.3 | 174.7 | -71.8 | -35.4 | 0 | 0 | 0 | 108.8 | P56 K87 K134 | P56-D136 WeakPolarHBondContact CB-OD1 3.38Å; K87-D136 PolarHBondContact N-O 3.4Å; K87-D136 PolarHBondContact O-N 2.92Å; K134-D136 WeakPolarHBondContact CE-OD1 3.07Å; K134-D136 WeakPolarHBondContact CE-OD2 3.22Å; K134-D136 VanDerWaalsContact NZ-CG 3.28Å; K134-D136 IonicContact NZ-OD1 2.68Å; K134-D136 PolarHBondContact NZ-OD1 3.46Å; K134-D136 IonicContact NZ-OD2 3.32Å; K134-D136 PolarHBondContact NZ-OD2 3.16Å |
| 137 | P | 66.9 | Low | 69.4 | Low | 17 Ų | 17 | 48.3 Ų | 48.3 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 136.5 | 177.3 | 29.8 | -33.9 | 0 | 0 | 0 | 111.4 | F86 V135 A139 Y143 | F86-P137 HydrophobicContact CB-CB 4.49Å; V135-P137 WeakPolarHBondContact O-CD 3.22Å; P137-A139 PolarHBondContact O-N 3.43Å; P137-Y143 HydrophobicContact CB-CD1 4.08Å; P137-Y143 HydrophobicContact CB-CE1 4.41Å; P137-Y143 HydrophobicContact CG-CD1 4.01Å; P137-Y143 HydrophobicContact CG-CE1 3.85Å |
| 138 | T | 63.7 | Low | 70.6 | Confident | 80 Ų | 80 | 45.9 Ų | 45.9 | 49% | 0.491 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -72.1 | 130.2 | 173.7 | -43.7 | 0 | 0 | 0 | 0 | 109.3 | V85 G140 | V85-T138 WeakPolarHBondContact O-CB 3.48Å; V85-T138 PolarHBondContact O-OG1 3.3Å; T138-G140 VanDerWaalsContact C-N 3.33Å; T138-G140 PolarHBondContact O-N 2.85Å |
| 139 | A | 60.7 | Low | 71.6 | Confident | 88 Ų | 88 | 47.8 Ų | 47.8 | 73% | 0.727 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | 59.9 | 31.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | P137 A141 | P137-A139 PolarHBondContact O-N 3.43Å; A139-A141 VanDerWaalsContact C-N 3.29Å; A139-A141 PolarHBondContact O-N 3.46Å |
| 140 | G | 61.3 | Low | 72.6 | Confident | 46 Ų | 46 | 45.9 Ų | 45.9 | 47% | 0.474 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | 69 | 21.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | T138 | T138-G140 VanDerWaalsContact C-N 3.33Å; T138-G140 PolarHBondContact O-N 2.85Å |
| 141 | A | 67.3 | Low | 73.2 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | trans | -62.6 | 147.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | K84 A139 | K84-A141 HydrophobicContact CB-CB 3.91Å; K84-A141 HydrophobicContact CD-CB 4.2Å; K84-A141 HydrophobicContact CG-CB 4.28Å; A139-A141 VanDerWaalsContact C-N 3.29Å; A139-A141 PolarHBondContact O-N 3.46Å | ||
| 142 | Q | 74.7 | Confident | 73.7 | Confident | 106 Ų | 106 | 44.9 Ų | 44.9 | 50% | 0.495 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 133.9 | 169.4 | -71.2 | -176.4 | 6.3 | 0 | 0 | 109.7 | L52 L54 S82 | L52-Q142 HydrophobicContact CD1-CB 4.36Å; L54-Q142 HydrophobicContact CD1-CG 4.49Å; L54-Q142 HydrophobicContact CD2-CB 4.5Å; L54-Q142 HydrophobicContact CD2-CG 3.35Å; L54-Q142 HydrophobicContact CG-CG 3.81Å; S82-Q142 PolarHBondContact OG-O 2.93Å |
| 143 | Y | 74.8 | Confident | 74.2 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 149.2 | 173.2 | 63 | -81.9 | 0 | 0 | 0 | 109.9 | M53 G55 N57 F59 V80 W81 V135 P137 V145 | M53-Y143 HydrophobicContact CB-CE1 4.01Å; M53-Y143 HydrophobicContact CB-CE2 3.87Å; M53-Y143 PolarHBondContact N-O 3.38Å; M53-Y143 WeakPolarHBondContact O-CD1 3.46Å; M53-Y143 PolarHBondContact O-N 2.92Å; M53-Y143 VanDerWaalsContact O-N 3.14Å; G55-Y143 WeakPolarHBondContact O-CE1 3.44Å; G55-Y143 PolarHBondContact O-OH 3.07Å; N57-Y143 WeakPolarHBondContact CB-OH 3.17Å; N57-Y143 PolarHBondContact ND2-OH 2.91Å; F59-Y143 AromaticContact CE2-CE2 3.66Å; F59-Y143 HydrophobicContact CE2-CE2 3.66Å; F59-Y143 AromaticContact CZ-CE2 3.71Å; F59-Y143 HydrophobicContact CZ-CE2 3.71Å; V80-Y143 HydrophobicContact CG1-CD2 4.03Å; W81-Y143 WeakPolarHBondContact O-CA 3.42Å; V135-Y143 HydrophobicContact CB-CE2 4.03Å; V135-Y143 HydrophobicContact CG1-CD2 3.95Å; V135-Y143 HydrophobicContact CG1-CE1 4.47Å; V135-Y143 HydrophobicContact CG1-CE2 3.81Å; V135-Y143 HydrophobicContact CG1-CG 4.33Å; V135-Y143 HydrophobicContact CG2-CE2 4.45Å; P137-Y143 HydrophobicContact CB-CD1 4.08Å; P137-Y143 HydrophobicContact CB-CE1 4.41Å; P137-Y143 HydrophobicContact CG-CD1 4.01Å; P137-Y143 HydrophobicContact CG-CE1 3.85Å; Y143-V145 HydrophobicContact CD2-CG2 3.62Å; Y143-V145 HydrophobicContact CE2-CG2 3.6Å |
| 144 | T | 78.8 | Confident | 74.5 | Confident | 23 Ų | 23 | 56 Ų | 56 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 136.9 | 174.9 | -48.8 | 0 | 0 | 0 | 0 | 109.3 | Q50 Y51 V80 W81 | Q50-T144 HydrophobicContact CB-CG2 4.45Å; Y51-T144 WeakPolarHBondContact O-CA 3.44Å; V80-T144 WeakPolarHBondContact CA-O 3.32Å; W81-T144 HydrophobicContact CH2-CG2 4.01Å; W81-T144 HydrophobicContact CZ2-CG2 3.37Å; W81-T144 PolarHBondContact N-O 2.82Å; W81-T144 VanDerWaalsContact N-O 3.09Å; W81-T144 VanDerWaalsContact NE1-CB 3.26Å; W81-T144 PolarHBondContact NE1-OG1 2.94Å; W81-T144 PolarHBondContact O-N 3.33Å |
| 145 | V | 80.1 | Confident | 74.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.4 | 176.2 | -175.8 | 0 | 0 | 0 | 0 | 107.9 | L45 Y51 F59 V78 V80 F133 Y143 | L45-V145 HydrophobicContact CD1-CG1 3.94Å; L45-V145 HydrophobicContact CD2-CG1 3.9Å; Y51-V145 PolarHBondContact N-O 3.43Å; Y51-V145 PolarHBondContact O-N 3.35Å; F59-V145 HydrophobicContact CE1-CG2 4.24Å; F59-V145 HydrophobicContact CE2-CG2 3.95Å; F59-V145 HydrophobicContact CZ-CG2 3.79Å; V78-V145 HydrophobicContact CG1-CG1 3.34Å; V80-V145 HydrophobicContact CG1-CG2 4.33Å; V80-V145 HydrophobicContact CG2-CG1 4.34Å; V80-V145 HydrophobicContact CG2-CG2 4.24Å; F133-V145 HydrophobicContact CZ-CG1 4.08Å; Y143-V145 HydrophobicContact CD2-CG2 3.62Å; Y143-V145 HydrophobicContact CE2-CG2 3.6Å |
| 146 | K | 81.8 | Confident | 75.6 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 24% | 0.243 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 113.6 | 173.7 | -169.9 | 178.2 | -171.4 | 164.9 | 0 | 110.8 | Q50 K79 W81 I148 | Q50-K146 HydrophobicContact CG-CB 4.28Å; Q50-K146 HydrophobicContact CG-CD 3.78Å; Q50-K146 HydrophobicContact CG-CG 4.01Å; K79-K146 PolarHBondContact N-O 3.45Å; K79-K146 PolarHBondContact O-N 3.37Å; W81-K146 HydrophobicContact CH2-CB 3.61Å; W81-K146 HydrophobicContact CH2-CD 4.1Å; W81-K146 HydrophobicContact CH2-CG 4.49Å; W81-K146 HydrophobicContact CZ3-CB 3.72Å; K146-I148 HydrophobicContact CB-CG1 4.49Å; K146-I148 HydrophobicContact CD-CD1 4.1Å; K146-I148 HydrophobicContact CD-CG1 4Å; K146-I148 HydrophobicContact CG-CD1 4.4Å; K146-I148 HydrophobicContact CG-CG1 3.89Å |
| 147 | P | 79.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 126.6 | 165.2 | 30.7 | -33.4 | 0 | 0 | 0 | 109.9 | L45 Q46 G48 E49 Y61 V78 | L45-P147 HydrophobicContact CB-CG 4.33Å; Q46-P147 WeakPolarHBondContact O-CG 3.19Å; G48-P147 PolarHBondContact N-O 2.89Å; E49-P147 WeakPolarHBondContact O-CD 3.28Å; Y61-P147 HydrophobicContact CD2-CB 4.08Å; Y61-P147 HydrophobicContact CE2-CB 3.91Å; V78-P147 HydrophobicContact CG2-CB 4.38Å |
| 148 | I | 79.1 | Confident | 77.3 | Confident | 42 Ų | 42 | 61.5 Ų | 61.5 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 128.9 | 179.5 | -54.1 | 178.4 | 0 | 0 | 0 | 108.3 | Y77 K79 K146 K150 | Y77-I148 HydrophobicContact CD2-CB 4.46Å; Y77-I148 HydrophobicContact CE1-CB 4.44Å; Y77-I148 HydrophobicContact CE1-CG2 4.43Å; Y77-I148 HydrophobicContact CE2-CB 3.95Å; Y77-I148 HydrophobicContact CE2-CD1 4.03Å; Y77-I148 HydrophobicContact CE2-CG1 4.39Å; Y77-I148 HydrophobicContact CE2-CG2 4.47Å; Y77-I148 PolarHBondContact N-O 3.28Å; Y77-I148 PolarHBondContact O-N 2.92Å; K79-I148 HydrophobicContact CB-CD1 4.37Å; K146-I148 HydrophobicContact CB-CG1 4.49Å; K146-I148 HydrophobicContact CD-CD1 4.1Å; K146-I148 HydrophobicContact CD-CG1 4Å; K146-I148 HydrophobicContact CG-CD1 4.4Å; K146-I148 HydrophobicContact CG-CG1 3.89Å; I148-K150 HydrophobicContact CG2-CB 4.4Å |
| 149 | R | 78.8 | Confident | 78.5 | Confident | 71 Ų | 71 | 59.2 Ų | 59.2 | 27% | 0.268 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 112.9 | 171 | -173 | 179.6 | -61.6 | -152.3 | -3.4 | 108.1 | D47 Y61 N63 I76 | D47-R149 IonicContact OD2-CZ 2.88Å; D47-R149 VanDerWaalsContact OD2-CZ 3.23Å; D47-R149 IonicContact OD2-NE 2.95Å; D47-R149 PolarHBondContact OD2-NE 2.87Å; D47-R149 IonicContact OD2-NH2 2.98Å; D47-R149 PolarHBondContact OD2-NH2 3.05Å; Y61-R149 PolarHBondContact OH-NH2 3.36Å; Y61-R149 VanDerWaalsContact OH-NH2 3.1Å; N63-R149 PolarHBondContact OD1-NH2 3.23Å; I76-R149 HydrophobicContact CG1-CG 4.22Å |
| 150 | K | 81.4 | Confident | 79.9 | Confident | 138 Ų | 138 | 58.4 Ų | 58.4 | 60% | 0.6 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 148.3 | -179.3 | -143.3 | 179.3 | -177.4 | -176.7 | 0 | 110.8 | R75 Y77 I148 D152 | R75-K150 PolarHBondContact N-O 3.42Å; R75-K150 PolarHBondContact O-N 2.62Å; R75-K150 VanDerWaalsContact O-N 3.15Å; Y77-K150 HydrophobicContact CE1-CB 4.42Å; I148-K150 HydrophobicContact CG2-CB 4.4Å; K150-D152 PolarHBondContact O-N 2.86Å |
| 151 | F | 79.4 | Confident | 81.3 | Confident | 98 Ų | 98 | 58.6 Ų | 58.6 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 123.3 | 170.6 | -173.3 | -93.7 | 0 | 0 | 0 | 109.1 | W73 I153 F156 | W73-F151 HydrophobicContact CB-CD2 4.21Å; W73-F151 HydrophobicContact CB-CE2 3.64Å; W73-F151 HydrophobicContact CB-CZ 3.95Å; W73-F151 HydrophobicContact CE3-CE2 4.29Å; W73-F151 HydrophobicContact CG-CE2 4.44Å; F151-I153 HydrophobicContact CE1-CG1 4.48Å; F151-I153 PolarHBondContact O-N 3.39Å; F151-F156 HydrophobicContact CE1-CB 3.97Å; F151-F156 HydrophobicContact CE1-CG 4.32Å; F151-F156 HydrophobicContact CZ-CB 3.83Å; F151-F156 HydrophobicContact CZ-CD2 4.22Å; F151-F156 AromaticContact CZ-CG 3.97Å; F151-F156 HydrophobicContact CZ-CG 3.97Å |
| 152 | D | 79.4 | Confident | 82.4 | Confident | 20 Ų | 20 | 58.2 Ų | 58.2 | 11% | 0.107 | 28% | 0.276 | C | S | . | . | trans | -90.7 | 98.3 | 178.4 | -164.8 | -28.7 | 0 | 0 | 0 | 108.9 | W73 R75 K150 Y154 L155 F156 | W73-D152 PolarHBondContact O-N 3.15Å; R75-D152 HydrophobicContact CB-CB 3.98Å; R75-D152 WeakPolarHBondContact CD-OD2 3.27Å; R75-D152 IonicContact CZ-OD2 3.24Å; R75-D152 IonicContact NE-OD2 2.68Å; R75-D152 IonicContact NH1-OD2 2.97Å; R75-D152 PolarHBondContact NH1-OD2 3.14Å; K150-D152 PolarHBondContact O-N 2.86Å; D152-Y154 PolarHBondContact O-N 3.35Å; D152-Y154 WeakPolarHBondContact OD1-CB 3.22Å; D152-Y154 PolarHBondContact OD1-N 3.31Å; D152-Y154 VanDerWaalsContact OD1-N 3.1Å; D152-L155 HydrophobicContact CB-CB 4.18Å; D152-L155 HydrophobicContact CB-CD1 3.89Å; D152-L155 HydrophobicContact CB-CG 4.12Å; D152-L155 PolarHBondContact O-N 3.43Å; D152-L155 PolarHBondContact OD1-N 3.45Å; D152-F156 PolarHBondContact O-N 3.01Å | ||
| 153 | I | 83.6 | Confident | 83.2 | Confident | 96 Ų | 96 | 54.5 Ų | 54.5 | 49% | 0.492 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.7 | -28.1 | -178.2 | -150.6 | 163.4 | 0 | 0 | 0 | 111.6 | F151 F156 L157 | F151-I153 HydrophobicContact CE1-CG1 4.48Å; F151-I153 PolarHBondContact O-N 3.39Å; I153-F156 PolarHBondContact O-N 3.39Å; I153-L157 WeakPolarHBondContact O-CB 3.4Å; I153-L157 VanDerWaalsContact O-CG 3.24Å; I153-L157 WeakPolarHBondContact O-CG 3.02Å; I153-L157 PolarHBondContact O-N 3.42Å |
| 154 | Y | 80.3 | Confident | 84 | Confident | 174 Ų | 174 | 58.4 Ų | 58.4 | 68% | 0.682 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -73 | -42.1 | -179 | -62.3 | -75.8 | 0 | 0 | 0 | 111.3 | D152 F156 L157 V158 | D152-Y154 PolarHBondContact O-N 3.35Å; D152-Y154 WeakPolarHBondContact OD1-CB 3.22Å; D152-Y154 PolarHBondContact OD1-N 3.31Å; D152-Y154 VanDerWaalsContact OD1-N 3.1Å; Y154-F156 VanDerWaalsContact C-N 3.28Å; Y154-F156 PolarHBondContact O-N 3.4Å; Y154-L157 PolarHBondContact O-N 2.64Å; Y154-V158 VanDerWaalsContact O-CG2 3.29Å; Y154-V158 WeakPolarHBondContact O-CG2 3.42Å; Y154-V158 PolarHBondContact O-N 3.36Å |
| 155 | L | 80.5 | Confident | 84.6 | Confident | 35 Ų | 35 | 59 Ų | 59 | 18% | 0.183 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 174 | -73.1 | 176.1 | 0 | 0 | 0 | 111.3 | D152 V158 F159 | D152-L155 HydrophobicContact CB-CB 4.18Å; D152-L155 HydrophobicContact CB-CD1 3.89Å; D152-L155 HydrophobicContact CB-CG 4.12Å; D152-L155 PolarHBondContact O-N 3.43Å; D152-L155 PolarHBondContact OD1-N 3.45Å; L155-V158 PolarHBondContact O-N 2.86Å; L155-F159 WeakPolarHBondContact O-CB 3.36Å; L155-F159 PolarHBondContact O-N 3.07Å |
| 156 | F | 85.3 | Confident | 85.2 | Confident | 68 Ų | 68 | 59.3 Ų | 59.3 | 30% | 0.298 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 174.3 | 178.2 | -103.3 | 0 | 0 | 0 | 112.6 | W73 F151 D152 I153 Y154 V158 F159 L160 | W73-F156 HydrophobicContact CB-CB 4.4Å; W73-F156 AromaticContact CD2-CD2 3.85Å; W73-F156 HydrophobicContact CD2-CD2 3.85Å; W73-F156 AromaticContact CE2-CD2 3.83Å; W73-F156 HydrophobicContact CE3-CD2 4.21Å; W73-F156 HydrophobicContact CG-CB 4.11Å; W73-F156 HydrophobicContact CG-CD2 4.22Å; W73-F156 HydrophobicContact CZ2-CD2 4.19Å; W73-F156 HydrophobicContact CZ2-CE2 4.45Å; F151-F156 HydrophobicContact CE1-CB 3.97Å; F151-F156 HydrophobicContact CE1-CG 4.32Å; F151-F156 HydrophobicContact CZ-CB 3.83Å; F151-F156 HydrophobicContact CZ-CD2 4.22Å; F151-F156 AromaticContact CZ-CG 3.97Å; F151-F156 HydrophobicContact CZ-CG 3.97Å; D152-F156 PolarHBondContact O-N 3.01Å; I153-F156 PolarHBondContact O-N 3.39Å; Y154-F156 VanDerWaalsContact C-N 3.28Å; Y154-F156 PolarHBondContact O-N 3.4Å; F156-V158 PolarHBondContact O-N 2.88Å; F156-F159 PolarHBondContact O-N 3.49Å; F156-L160 HydrophobicContact CE1-CD2 4.39Å; F156-L160 WeakPolarHBondContact O-CB 3.2Å; F156-L160 PolarHBondContact O-N 3Å |
| 157 | L | 85.1 | Confident | 85.5 | Confident | 90 Ų | 90 | 61.1 Ų | 61.1 | 47% | 0.471 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 176.9 | -72.9 | 172.9 | 0 | 0 | 0 | 112.3 | I153 Y154 L160 S161 | I153-L157 WeakPolarHBondContact O-CB 3.4Å; I153-L157 VanDerWaalsContact O-CG 3.24Å; I153-L157 WeakPolarHBondContact O-CG 3.02Å; I153-L157 PolarHBondContact O-N 3.42Å; Y154-L157 PolarHBondContact O-N 2.64Å; L157-L160 PolarHBondContact O-N 2.77Å; L157-S161 WeakPolarHBondContact O-CB 3.36Å; L157-S161 PolarHBondContact O-N 3.44Å; L157-S161 PolarHBondContact O-OG 3.15Å |
| 158 | V | 87.2 | Confident | 85.9 | Confident | 50 Ų | 50 | 66 Ų | 66 | 30% | 0.303 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 174.8 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | Y154 L155 F156 L160 S161 G162 L283 | Y154-V158 VanDerWaalsContact O-CG2 3.29Å; Y154-V158 WeakPolarHBondContact O-CG2 3.42Å; Y154-V158 PolarHBondContact O-N 3.36Å; L155-V158 PolarHBondContact O-N 2.86Å; F156-V158 PolarHBondContact O-N 2.88Å; V158-L160 PolarHBondContact O-N 2.97Å; V158-S161 PolarHBondContact O-N 2.88Å; V158-S161 PolarHBondContact O-OG 2.97Å; V158-G162 PolarHBondContact O-N 2.87Å; V158-L283 HydrophobicContact CG1-CB 4.48Å; V158-L283 HydrophobicContact CG1-CD2 4.26Å |
| 159 | F | 88.5 | Confident | 86.4 | Confident | 33 Ų | 33 | 64 Ų | 64 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.7 | -48.8 | 174.8 | 168.3 | -99.1 | 0 | 0 | 0 | 112.1 | W73 L155 F156 S161 G162 A163 I284 I288 I297 | W73-F159 HydrophobicContact CH2-CE1 4.45Å; W73-F159 AromaticContact CZ2-CD1 3.6Å; W73-F159 HydrophobicContact CZ2-CD1 3.6Å; W73-F159 AromaticContact CZ2-CE1 3.68Å; W73-F159 HydrophobicContact CZ2-CE1 3.68Å; W73-F159 HydrophobicContact CZ2-CG 4.14Å; W73-F159 HydrophobicContact CZ2-CZ 4.26Å; W73-F159 AromaticContact NE1-CD1 3.96Å; W73-F159 AromaticContact NE1-CG 3.8Å; L155-F159 WeakPolarHBondContact O-CB 3.36Å; L155-F159 PolarHBondContact O-N 3.07Å; F156-F159 PolarHBondContact O-N 3.49Å; F159-S161 VanDerWaalsContact C-N 3.33Å; F159-S161 PolarHBondContact O-N 3.04Å; F159-G162 PolarHBondContact O-N 3.18Å; F159-A163 WeakPolarHBondContact O-CB 3.3Å; F159-A163 PolarHBondContact O-N 3.41Å; F159-I284 HydrophobicContact CD2-CB 4.45Å; F159-I284 HydrophobicContact CD2-CG1 4.3Å; F159-I284 HydrophobicContact CD2-CG2 4.07Å; F159-I284 HydrophobicContact CE2-CG1 4.38Å; F159-I284 HydrophobicContact CE2-CG2 3.98Å; F159-I288 HydrophobicContact CD2-CD1 3.73Å; F159-I288 HydrophobicContact CD2-CG1 3.77Å; F159-I288 HydrophobicContact CE2-CD1 3.78Å; F159-I288 HydrophobicContact CE2-CG1 4.28Å; F159-I288 HydrophobicContact CG-CG1 4.5Å; F159-I297 HydrophobicContact CE2-CD1 4.35Å; F159-I297 HydrophobicContact CE2-CG2 4.23Å |
| 160 | L | 90.4 | Very high | 86.9 | Confident | 70 Ų | 70 | 65.1 Ų | 65.1 | 37% | 0.366 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 179 | -178.9 | 63.7 | 0 | 0 | 0 | 111.2 | F156 L157 V158 G162 A163 L164 | F156-L160 HydrophobicContact CE1-CD2 4.39Å; F156-L160 WeakPolarHBondContact O-CB 3.2Å; F156-L160 PolarHBondContact O-N 3Å; L157-L160 PolarHBondContact O-N 2.77Å; V158-L160 PolarHBondContact O-N 2.97Å; L160-G162 VanDerWaalsContact C-N 3.35Å; L160-G162 PolarHBondContact O-N 2.83Å; L160-A163 PolarHBondContact O-N 3.36Å; L160-L164 HydrophobicContact CD1-CD1 4.33Å; L160-L164 HydrophobicContact CD1-CG 4.36Å; L160-L164 HydrophobicContact CG-CD1 4.07Å; L160-L164 WeakPolarHBondContact O-CB 3.46Å; L160-L164 VanDerWaalsContact O-CG 3.27Å; L160-L164 WeakPolarHBondContact O-CG 3.36Å; L160-L164 PolarHBondContact O-N 3.31Å |
| 161 | S | 90.1 | Very high | 87.2 | Confident | 51 Ų | 51 | 62.3 Ų | 62.3 | 36% | 0.357 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 176.9 | 73.4 | 0 | 0 | 0 | 0 | 112 | L157 V158 F159 L165 | L157-S161 WeakPolarHBondContact O-CB 3.36Å; L157-S161 PolarHBondContact O-N 3.44Å; L157-S161 PolarHBondContact O-OG 3.15Å; V158-S161 PolarHBondContact O-N 2.88Å; V158-S161 PolarHBondContact O-OG 2.97Å; F159-S161 VanDerWaalsContact C-N 3.33Å; F159-S161 PolarHBondContact O-N 3.04Å; S161-L165 WeakPolarHBondContact O-CB 3.47Å; S161-L165 PolarHBondContact O-N 3.34Å |
| 162 | G | 91.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V158 F159 L160 L165 F166 | V158-G162 PolarHBondContact O-N 2.87Å; F159-G162 PolarHBondContact O-N 3.18Å; L160-G162 VanDerWaalsContact C-N 3.35Å; L160-G162 PolarHBondContact O-N 2.83Å; G162-L165 PolarHBondContact O-N 2.85Å; G162-F166 WeakPolarHBondContact O-CB 3.4Å; G162-F166 PolarHBondContact O-N 3.25Å |
| 163 | A | 90.4 | Very high | 88.1 | Confident | 28 Ų | 28 | 59.5 Ų | 59.5 | 23% | 0.231 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | F159 L160 L165 F166 V167 | F159-A163 WeakPolarHBondContact O-CB 3.3Å; F159-A163 PolarHBondContact O-N 3.41Å; L160-A163 PolarHBondContact O-N 3.36Å; A163-L165 VanDerWaalsContact C-N 3.33Å; A163-L165 PolarHBondContact O-N 2.99Å; A163-F166 PolarHBondContact O-N 3.46Å; A163-V167 WeakPolarHBondContact O-CG2 3.31Å; A163-V167 PolarHBondContact O-N 3.26Å |
| 164 | L | 91.9 | Very high | 88.4 | Confident | 84 Ų | 84 | 63.5 Ų | 63.5 | 44% | 0.44 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 175.9 | -69.6 | 170.8 | 0 | 0 | 0 | 111.1 | L160 F166 V167 F168 | L160-L164 HydrophobicContact CD1-CD1 4.33Å; L160-L164 HydrophobicContact CD1-CG 4.36Å; L160-L164 HydrophobicContact CG-CD1 4.07Å; L160-L164 WeakPolarHBondContact O-CB 3.46Å; L160-L164 VanDerWaalsContact O-CG 3.27Å; L160-L164 WeakPolarHBondContact O-CG 3.36Å; L160-L164 PolarHBondContact O-N 3.31Å; L164-F166 PolarHBondContact O-N 2.89Å; L164-V167 PolarHBondContact O-N 3.43Å; L164-F168 HydrophobicContact CB-CD2 4.36Å; L164-F168 HydrophobicContact CD2-CD2 4.31Å; L164-F168 HydrophobicContact CD2-CE2 3.81Å; L164-F168 WeakPolarHBondContact O-CB 3.3Å; L164-F168 WeakPolarHBondContact O-CD2 3.48Å; L164-F168 PolarHBondContact O-N 2.89Å |
| 165 | L | 92.3 | Very high | 88.9 | Confident | 34 Ų | 34 | 57.3 Ų | 57.3 | 18% | 0.178 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 179.3 | -163.8 | 161 | 0 | 0 | 0 | 111.3 | S161 G162 A163 A169 L276 F279 L283 | S161-L165 WeakPolarHBondContact O-CB 3.47Å; S161-L165 PolarHBondContact O-N 3.34Å; G162-L165 PolarHBondContact O-N 2.85Å; A163-L165 VanDerWaalsContact C-N 3.33Å; A163-L165 PolarHBondContact O-N 2.99Å; L165-A169 WeakPolarHBondContact O-CA 3.4Å; L165-A169 VanDerWaalsContact O-CB 3.29Å; L165-A169 WeakPolarHBondContact O-CB 3.3Å; L165-A169 PolarHBondContact O-N 2.74Å; L165-L276 VanDerWaalsContact CD2-C 3.5Å; L165-L276 HydrophobicContact CD2-CB 3.82Å; L165-L276 HydrophobicContact CD2-CD2 4.09Å; L165-L276 WeakPolarHBondContact CD2-O 3.45Å; L165-F279 HydrophobicContact CD1-CD1 3.81Å; L165-F279 HydrophobicContact CD1-CE1 4.26Å; L165-L283 HydrophobicContact CD1-CD1 4.37Å |
| 166 | F | 91.4 | Very high | 89.3 | Confident | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.035 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 176.7 | -178.8 | -96.5 | 0 | 0 | 0 | 112.8 | G162 A163 L164 Q277 L281 K305 | G162-F166 WeakPolarHBondContact O-CB 3.4Å; G162-F166 PolarHBondContact O-N 3.25Å; A163-F166 PolarHBondContact O-N 3.46Å; L164-F166 PolarHBondContact O-N 2.89Å; F166-Q277 HydrophobicContact CD2-CB 4.01Å; F166-Q277 HydrophobicContact CD2-CG 4.2Å; F166-Q277 HydrophobicContact CE2-CB 4.1Å; F166-Q277 HydrophobicContact CE2-CG 4.29Å; F166-L281 HydrophobicContact CD2-CD2 3.81Å; F166-L281 HydrophobicContact CD2-CG 3.84Å; F166-L281 HydrophobicContact CE2-CD1 4.13Å; F166-L281 HydrophobicContact CE2-CD2 3.78Å; F166-L281 HydrophobicContact CE2-CG 3.9Å; F166-L281 HydrophobicContact CZ-CD2 4.45Å; F166-K305 HydrophobicContact CE1-CD 4Å; F166-K305 HydrophobicContact CE1-CG 3.96Å; F166-K305 HydrophobicContact CZ-CD 3.81Å; F166-K305 HydrophobicContact CZ-CG 4.02Å |
| 167 | V | 88.1 | Confident | 89.6 | Confident | 94 Ų | 94 | 64.9 Ų | 64.9 | 57% | 0.57 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.6 | -49.7 | 178.8 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | A163 L164 A169 | A163-V167 WeakPolarHBondContact O-CG2 3.31Å; A163-V167 PolarHBondContact O-N 3.26Å; L164-V167 PolarHBondContact O-N 3.43Å; V167-A169 VanDerWaalsContact C-N 3.31Å; V167-A169 PolarHBondContact O-N 3.21Å |
| 168 | F | 88.8 | Confident | 89.8 | Confident | 103 Ų | 103 | 62.9 Ų | 62.9 | 45% | 0.452 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -85.8 | 4 | -175.6 | -65.5 | -66.1 | 0 | 0 | 0 | 114.2 | L164 E170 S171 L172 | L164-F168 HydrophobicContact CB-CD2 4.36Å; L164-F168 HydrophobicContact CD2-CD2 4.31Å; L164-F168 HydrophobicContact CD2-CE2 3.81Å; L164-F168 WeakPolarHBondContact O-CB 3.3Å; L164-F168 WeakPolarHBondContact O-CD2 3.48Å; L164-F168 PolarHBondContact O-N 2.89Å; F168-E170 VanDerWaalsContact C-N 3.28Å; F168-E170 PolarHBondContact O-N 2.65Å; F168-E170 VanDerWaalsContact O-N 3.17Å; F168-S171 PolarHBondContact O-N 3.43Å; F168-L172 HydrophobicContact CB-CD1 3.99Å; F168-L172 HydrophobicContact CB-CG 4.15Å; F168-L172 WeakPolarHBondContact O-CB 3.47Å; F168-L172 WeakPolarHBondContact O-CG 2.98Å; F168-L172 PolarHBondContact O-N 3.11Å |
| 169 | A | 90.3 | Very high | 90 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -52.3 | -42 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L165 V167 S173 L276 Q277 | L165-A169 WeakPolarHBondContact O-CA 3.4Å; L165-A169 VanDerWaalsContact O-CB 3.29Å; L165-A169 WeakPolarHBondContact O-CB 3.3Å; L165-A169 PolarHBondContact O-N 2.74Å; V167-A169 VanDerWaalsContact C-N 3.31Å; V167-A169 PolarHBondContact O-N 3.21Å; A169-S173 WeakPolarHBondContact O-CB 3.47Å; A169-S173 PolarHBondContact O-N 2.86Å; A169-S173 PolarHBondContact O-OG 3.29Å; A169-L276 HydrophobicContact CB-CB 3.94Å; A169-Q277 HydrophobicContact CB-CG 3.52Å |
| 170 | E | 88.1 | Confident | 90.1 | Very high | 93 Ų | 93 | 63.6 Ų | 63.6 | 44% | 0.435 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -75.1 | -33.7 | -179.8 | -71.3 | 167 | -138.9 | 0 | 0 | 113 | F168 S173 R174 S273 Q277 K305 | F168-E170 VanDerWaalsContact C-N 3.28Å; F168-E170 PolarHBondContact O-N 2.65Å; F168-E170 VanDerWaalsContact O-N 3.17Å; E170-S173 PolarHBondContact O-OG 3.48Å; E170-R174 WeakPolarHBondContact O-CG 3.32Å; E170-S273 VanDerWaalsContact CG-OG 3.26Å; E170-S273 WeakPolarHBondContact CG-OG 3.45Å; E170-Q277 PolarHBondContact OE1-NE2 2.92Å; E170-K305 IonicContact OE1-NZ 2.75Å; E170-K305 PolarHBondContact OE1-NZ 3.1Å |
| 171 | S | 88.8 | Confident | 90.2 | Very high | 79 Ų | 79 | 62.6 Ų | 62.6 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -71 | -42.5 | 174.8 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | F168 R174 S175 | F168-S171 PolarHBondContact O-N 3.43Å; S171-R174 PolarHBondContact O-N 3.45Å; S171-S175 PolarHBondContact O-N 3.39Å |
| 172 | L | 88.2 | Confident | 90.3 | Very high | 53 Ų | 53 | 61.6 Ų | 61.6 | 28% | 0.277 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 178 | -72.5 | 169.7 | 0 | 0 | 0 | 112 | F168 R174 S175 F178 L276 | F168-L172 HydrophobicContact CB-CD1 3.99Å; F168-L172 HydrophobicContact CB-CG 4.15Å; F168-L172 WeakPolarHBondContact O-CB 3.47Å; F168-L172 WeakPolarHBondContact O-CG 2.98Å; F168-L172 PolarHBondContact O-N 3.11Å; L172-R174 PolarHBondContact O-N 3.35Å; L172-S175 WeakPolarHBondContact O-CB 3.37Å; L172-S175 PolarHBondContact O-N 3.02Å; L172-S175 VanDerWaalsContact O-N 3.1Å; L172-F178 HydrophobicContact CB-CD1 4.29Å; L172-F178 HydrophobicContact CB-CD2 4.34Å; L172-F178 HydrophobicContact CB-CG 4.15Å; L172-F178 HydrophobicContact CD2-CB 4.39Å; L172-F178 HydrophobicContact CD2-CD2 3.93Å; L172-F178 HydrophobicContact CD2-CG 4.25Å; L172-F178 VanDerWaalsContact O-CB 3.3Å; L172-F178 WeakPolarHBondContact O-CB 3.02Å; L172-F178 VanDerWaalsContact O-CD1 3.3Å; L172-F178 WeakPolarHBondContact O-CD1 3.47Å; L172-L276 HydrophobicContact CB-CD1 4.36Å |
| 173 | S | 89.4 | Confident | 90.3 | Very high | 7 Ų | 7 | 62.5 Ų | 62.5 | 5% | 0.049 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.3 | -25.3 | 179.7 | 68.3 | 0 | 0 | 0 | 0 | 113.5 | A169 E170 | A169-S173 WeakPolarHBondContact O-CB 3.47Å; A169-S173 PolarHBondContact O-N 2.86Å; A169-S173 PolarHBondContact O-OG 3.29Å; E170-S173 PolarHBondContact O-OG 3.48Å |
| 174 | R | 89.6 | Confident | 90.4 | Very high | 180 Ų | 180 | 64 Ų | 64 | 68% | 0.679 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -89 | -14.7 | 175.2 | -67.1 | 177 | -178.5 | -177.7 | 1.8 | 113.4 | E170 S171 L172 Q176 I269 | E170-R174 WeakPolarHBondContact O-CG 3.32Å; S171-R174 PolarHBondContact O-N 3.45Å; L172-R174 PolarHBondContact O-N 3.35Å; R174-Q176 PolarHBondContact O-N 2.97Å; R174-I269 HydrophobicContact CG-CG2 3.79Å |
| 175 | S | 90.6 | Very high | 90.4 | Very high | 43 Ų | 43 | 62.8 Ų | 62.8 | 30% | 0.301 | 33% | 0.33 | S | S | . | . | trans | -76.2 | 122.4 | -178.9 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | S171 L172 I177 F178 F179 | S171-S175 PolarHBondContact O-N 3.39Å; L172-S175 WeakPolarHBondContact O-CB 3.37Å; L172-S175 PolarHBondContact O-N 3.02Å; L172-S175 VanDerWaalsContact O-N 3.1Å; S175-I177 VanDerWaalsContact C-N 3.26Å; S175-I177 PolarHBondContact O-N 2.93Å; S175-I177 PolarHBondContact OG-N 3.32Å; S175-F178 PolarHBondContact O-N 3.39Å; S175-F178 PolarHBondContact OG-N 2.94Å; S175-F179 PolarHBondContact O-N 2.91Å | ||
| 176 | Q | 89.5 | Confident | 90.3 | Very high | 126 Ų | 126 | 65.4 Ų | 65.4 | 59% | 0.589 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.3 | -36.2 | 175.1 | -64.6 | 176.2 | -31.9 | 0 | 0 | 111.7 | R174 F178 F179 Y180 P262 | R174-Q176 PolarHBondContact O-N 2.97Å; Q176-F178 VanDerWaalsContact C-N 3.33Å; Q176-F178 PolarHBondContact O-N 3.08Å; Q176-F179 PolarHBondContact O-N 3.24Å; Q176-Y180 HydrophobicContact CB-CE2 4.31Å; Q176-Y180 WeakPolarHBondContact O-CD2 3.35Å; Q176-Y180 PolarHBondContact O-N 3.23Å; Q176-Y180 VanDerWaalsContact O-N 3.11Å; Q176-P262 HydrophobicContact CG-CB 4.35Å |
| 177 | I | 90.1 | Very high | 90.3 | Very high | 137 Ų | 137 | 66 Ų | 66 | 70% | 0.703 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.8 | -42.2 | 179 | -57.9 | 168.4 | 0 | 0 | 0 | 110.1 | S175 Y180 S181 | S175-I177 VanDerWaalsContact C-N 3.26Å; S175-I177 PolarHBondContact O-N 2.93Å; S175-I177 PolarHBondContact OG-N 3.32Å; I177-Y180 PolarHBondContact O-N 3.3Å; I177-S181 WeakPolarHBondContact O-CB 3.43Å; I177-S181 PolarHBondContact O-N 3.23Å; I177-S181 PolarHBondContact O-OG 3.02Å |
| 178 | F | 90.8 | Very high | 90.4 | Very high | 48 Ų | 48 | 63.1 Ų | 63.1 | 21% | 0.211 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62 | -45 | 177.1 | -178 | -103.4 | 0 | 0 | 0 | 111.1 | L172 S175 Q176 Y180 S181 A182 L276 | L172-F178 HydrophobicContact CB-CD1 4.29Å; L172-F178 HydrophobicContact CB-CD2 4.34Å; L172-F178 HydrophobicContact CB-CG 4.15Å; L172-F178 HydrophobicContact CD2-CB 4.39Å; L172-F178 HydrophobicContact CD2-CD2 3.93Å; L172-F178 HydrophobicContact CD2-CG 4.25Å; L172-F178 VanDerWaalsContact O-CB 3.3Å; L172-F178 WeakPolarHBondContact O-CB 3.02Å; L172-F178 VanDerWaalsContact O-CD1 3.3Å; L172-F178 WeakPolarHBondContact O-CD1 3.47Å; S175-F178 PolarHBondContact O-N 3.39Å; S175-F178 PolarHBondContact OG-N 2.94Å; Q176-F178 VanDerWaalsContact C-N 3.33Å; Q176-F178 PolarHBondContact O-N 3.08Å; F178-Y180 PolarHBondContact O-N 3.31Å; F178-S181 WeakPolarHBondContact CA-OG 3.19Å; F178-S181 PolarHBondContact O-N 2.82Å; F178-S181 PolarHBondContact O-OG 2.58Å; F178-A182 HydrophobicContact CE1-CB 4.38Å; F178-A182 HydrophobicContact CZ-CB 4.29Å; F178-A182 VanDerWaalsContact O-CB 3.24Å; F178-A182 WeakPolarHBondContact O-CB 3.33Å; F178-A182 PolarHBondContact O-N 3.07Å; F178-L276 HydrophobicContact CE1-CD1 3.77Å; F178-L276 HydrophobicContact CE1-CD2 4.07Å; F178-L276 HydrophobicContact CE1-CG 4.48Å; F178-L276 HydrophobicContact CZ-CD1 4.12Å; F178-L276 HydrophobicContact CZ-CD2 3.69Å |
| 179 | F | 90.2 | Very high | 90.4 | Very high | 51 Ų | 51 | 63.2 Ų | 63.2 | 22% | 0.224 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.1 | -50 | 177.6 | -178.9 | -101.5 | 0 | 0 | 0 | 113.1 | S175 Q176 G183 G261 P262 L263 | S175-F179 PolarHBondContact O-N 2.91Å; Q176-F179 PolarHBondContact O-N 3.24Å; F179-G183 PolarHBondContact O-N 3.27Å; F179-G261 WeakPolarHBondContact CE1-O 3.26Å; F179-G261 VanDerWaalsContact CZ-O 3.27Å; F179-G261 WeakPolarHBondContact CZ-O 3.29Å; F179-P262 HydrophobicContact CD1-CB 4.29Å; F179-L263 HydrophobicContact CD2-CD1 3.23Å; F179-L263 HydrophobicContact CD2-CG 4.08Å; F179-L263 HydrophobicContact CE2-CD1 3.46Å; F179-L263 VanDerWaalsContact CE2-CD1 3.46Å; F179-L263 HydrophobicContact CE2-CG 3.85Å; F179-L263 HydrophobicContact CG-CD1 4.22Å |
| 180 | Y | 91.6 | Very high | 90.2 | Very high | 46 Ų | 46 | 65.2 Ų | 65.2 | 18% | 0.18 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 179.4 | -66.1 | -60.2 | 0 | 0 | 0 | 112.2 | Q176 I177 F178 G183 M184 C257 | Q176-Y180 HydrophobicContact CB-CE2 4.31Å; Q176-Y180 WeakPolarHBondContact O-CD2 3.35Å; Q176-Y180 PolarHBondContact O-N 3.23Å; Q176-Y180 VanDerWaalsContact O-N 3.11Å; I177-Y180 PolarHBondContact O-N 3.3Å; F178-Y180 PolarHBondContact O-N 3.31Å; Y180-G183 PolarHBondContact O-N 3.43Å; Y180-M184 WeakPolarHBondContact O-CB 3.49Å; Y180-M184 WeakPolarHBondContact O-CE 3.46Å; Y180-M184 VanDerWaalsContact O-CG 3.26Å; Y180-M184 WeakPolarHBondContact O-CG 3.24Å; Y180-M184 PolarHBondContact O-N 3.07Å; Y180-C257 HydrophobicContact CD1-CB 4.13Å |
| 181 | S | 92.2 | Very high | 90.3 | Very high | 50 Ų | 50 | 62.1 Ų | 62.1 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 178.9 | 65 | 0 | 0 | 0 | 0 | 112.9 | I177 F178 G183 M184 S185 | I177-S181 WeakPolarHBondContact O-CB 3.43Å; I177-S181 PolarHBondContact O-N 3.23Å; I177-S181 PolarHBondContact O-OG 3.02Å; F178-S181 WeakPolarHBondContact CA-OG 3.19Å; F178-S181 PolarHBondContact O-N 2.82Å; F178-S181 PolarHBondContact O-OG 2.58Å; S181-G183 VanDerWaalsContact C-N 3.34Å; S181-M184 PolarHBondContact O-N 3.34Å; S181-S185 PolarHBondContact O-N 2.86Å; S181-S185 PolarHBondContact O-OG 3.07Å |
| 182 | A | 92.1 | Very high | 90.1 | Very high | 29 Ų | 29 | 62.4 Ų | 62.4 | 24% | 0.24 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F178 S185 T186 | F178-A182 HydrophobicContact CE1-CB 4.38Å; F178-A182 HydrophobicContact CZ-CB 4.29Å; F178-A182 VanDerWaalsContact O-CB 3.24Å; F178-A182 WeakPolarHBondContact O-CB 3.33Å; F178-A182 PolarHBondContact O-N 3.07Å; A182-S185 WeakPolarHBondContact CA-OG 3.38Å; A182-S185 PolarHBondContact O-OG 2.93Å; A182-T186 VanDerWaalsContact O-CB 3.29Å; A182-T186 WeakPolarHBondContact O-CB 3.39Å; A182-T186 PolarHBondContact O-N 3.47Å; A182-T186 PolarHBondContact O-OG1 3.41Å |
| 183 | G | 91.6 | Very high | 89.8 | Confident | 20 Ų | 20 | 64.6 Ų | 64.6 | 21% | 0.206 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F179 Y180 S181 T186 G187 | F179-G183 PolarHBondContact O-N 3.27Å; Y180-G183 PolarHBondContact O-N 3.43Å; S181-G183 VanDerWaalsContact C-N 3.34Å; G183-T186 PolarHBondContact O-N 2.87Å; G183-G187 PolarHBondContact O-N 3.23Å |
| 184 | M | 93 | Very high | 89.5 | Confident | 59 Ų | 59 | 69 Ų | 69 | 29% | 0.291 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 174.4 | -75.4 | -174 | -68.4 | 0 | 0 | 112 | Y180 S181 T186 G187 M188 F254 | Y180-M184 WeakPolarHBondContact O-CB 3.49Å; Y180-M184 WeakPolarHBondContact O-CE 3.46Å; Y180-M184 VanDerWaalsContact O-CG 3.26Å; Y180-M184 WeakPolarHBondContact O-CG 3.24Å; Y180-M184 PolarHBondContact O-N 3.07Å; S181-M184 PolarHBondContact O-N 3.34Å; M184-T186 VanDerWaalsContact C-N 3.33Å; M184-T186 PolarHBondContact O-N 3.26Å; M184-G187 PolarHBondContact O-N 3.4Å; M184-M188 WeakPolarHBondContact O-CB 3.3Å; M184-M188 WeakPolarHBondContact O-CG 3.31Å; M184-M188 PolarHBondContact O-N 2.92Å; M184-F254 HydrophobicContact CE-CD2 4.32Å; M184-F254 HydrophobicContact CG-CB 4.04Å; M184-F254 HydrophobicContact CG-CD2 4.42Å; M184-F254 HydrophobicContact SD-CB 3.77Å; M184-F254 HydrophobicContact SD-CD2 3.76Å; M184-F254 HydrophobicContact SD-CG 4.18Å |
| 185 | S | 91.6 | Very high | 89 | Confident | 59 Ų | 59 | 64.4 Ų | 64.4 | 41% | 0.413 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 179 | 61.3 | 0 | 0 | 0 | 0 | 112.2 | S181 A182 M188 I189 | S181-S185 PolarHBondContact O-N 2.86Å; S181-S185 PolarHBondContact O-OG 3.07Å; A182-S185 WeakPolarHBondContact CA-OG 3.38Å; A182-S185 PolarHBondContact O-OG 2.93Å; S185-M188 WeakPolarHBondContact O-CB 3.41Å; S185-M188 PolarHBondContact O-N 3.15Å; S185-I189 VanDerWaalsContact O-CG1 3.3Å; S185-I189 WeakPolarHBondContact O-CG1 3.18Å; S185-I189 PolarHBondContact O-N 3.07Å |
| 186 | T | 90.8 | Very high | 88.2 | Confident | 89 Ų | 89 | 64.8 Ų | 64.8 | 55% | 0.546 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 177 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | A182 G183 M184 M188 I189 A190 | A182-T186 VanDerWaalsContact O-CB 3.29Å; A182-T186 WeakPolarHBondContact O-CB 3.39Å; A182-T186 PolarHBondContact O-N 3.47Å; A182-T186 PolarHBondContact O-OG1 3.41Å; G183-T186 PolarHBondContact O-N 2.87Å; M184-T186 VanDerWaalsContact C-N 3.33Å; M184-T186 PolarHBondContact O-N 3.26Å; T186-M188 VanDerWaalsContact C-N 3.35Å; T186-M188 PolarHBondContact O-N 3.42Å; T186-I189 PolarHBondContact O-N 3.1Å; T186-A190 VanDerWaalsContact O-CB 3.31Å; T186-A190 WeakPolarHBondContact O-CB 3.3Å; T186-A190 PolarHBondContact O-N 2.95Å |
| 187 | G | 92.2 | Very high | 87.4 | Confident | 21 Ų | 21 | 65 Ų | 65 | 22% | 0.216 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G183 M184 A190 S191 | G183-G187 PolarHBondContact O-N 3.23Å; M184-G187 PolarHBondContact O-N 3.4Å; G187-A190 PolarHBondContact O-N 2.84Å; G187-S191 VanDerWaalsContact O-CB 3.31Å; G187-S191 WeakPolarHBondContact O-CB 3.27Å; G187-S191 PolarHBondContact O-N 2.87Å; G187-S191 PolarHBondContact O-OG 2.74Å |
| 188 | M | 89.4 | Confident | 86.7 | Confident | 32 Ų | 32 | 62.2 Ų | 62.2 | 16% | 0.158 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 174.2 | -77 | -65.4 | -61.8 | 0 | 0 | 112.9 | M184 S185 T186 S191 L192 Y245 V246 V249 G250 | M184-M188 WeakPolarHBondContact O-CB 3.3Å; M184-M188 WeakPolarHBondContact O-CG 3.31Å; M184-M188 PolarHBondContact O-N 2.92Å; S185-M188 WeakPolarHBondContact O-CB 3.41Å; S185-M188 PolarHBondContact O-N 3.15Å; T186-M188 VanDerWaalsContact C-N 3.35Å; T186-M188 PolarHBondContact O-N 3.42Å; M188-S191 WeakPolarHBondContact CA-OG 3.47Å; M188-S191 PolarHBondContact O-OG 3.25Å; M188-L192 WeakPolarHBondContact O-CG 3.19Å; M188-L192 PolarHBondContact O-N 3.27Å; M188-Y245 HydrophobicContact CE-CD1 3.69Å; M188-Y245 HydrophobicContact CE-CE1 3.42Å; M188-Y245 VanDerWaalsContact CE-CE1 3.42Å; M188-Y245 PolarHBondContact O-OH 3.47Å; M188-Y245 HydrophobicContact SD-CE1 4.32Å; M188-V246 HydrophobicContact CE-CB 4.11Å; M188-V246 HydrophobicContact CE-CG1 4.36Å; M188-V246 HydrophobicContact CE-CG2 3.77Å; M188-V249 HydrophobicContact SD-CB 3.61Å; M188-V249 HydrophobicContact SD-CG1 3.44Å; M188-V249 WeakPolarHBondContact SD-CG1 3.39Å; M188-G250 PolarHBondContact SD-N 3.41Å; M188-G250 VanDerWaalsContact SD-N 3.41Å |
| 189 | I | 87.7 | Confident | 85.7 | Confident | 105 Ų | 105 | 64.8 Ų | 64.8 | 54% | 0.538 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71 | -44.9 | 176.9 | -65.5 | 163.8 | 0 | 0 | 0 | 110.6 | S185 T186 S191 L192 I193 | S185-I189 VanDerWaalsContact O-CG1 3.3Å; S185-I189 WeakPolarHBondContact O-CG1 3.18Å; S185-I189 PolarHBondContact O-N 3.07Å; T186-I189 PolarHBondContact O-N 3.1Å; I189-S191 PolarHBondContact O-N 2.99Å; I189-L192 WeakPolarHBondContact O-CB 3.47Å; I189-L192 PolarHBondContact O-N 2.93Å; I189-I193 HydrophobicContact CG2-CD1 4.13Å; I189-I193 WeakPolarHBondContact O-CG1 3.34Å; I189-I193 PolarHBondContact O-N 2.86Å; I189-I193 VanDerWaalsContact O-N 3.1Å |
| 190 | A | 87.9 | Confident | 84.4 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T186 G187 I193 I194 | T186-A190 VanDerWaalsContact O-CB 3.31Å; T186-A190 WeakPolarHBondContact O-CB 3.3Å; T186-A190 PolarHBondContact O-N 2.95Å; G187-A190 PolarHBondContact O-N 2.84Å; A190-I193 WeakPolarHBondContact O-CB 3.19Å; A190-I193 PolarHBondContact O-N 2.99Å; A190-I194 WeakPolarHBondContact O-CG1 3.34Å; A190-I194 PolarHBondContact O-N 2.82Å |
| 191 | S | 89.8 | Confident | 83.3 | Confident | 28 Ų | 28 | 70.1 Ų | 70.1 | 20% | 0.196 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.4 | -34.5 | 175.2 | 49.1 | 0 | 0 | 0 | 0 | 113 | G187 M188 I189 I193 I194 L195 Y245 V249 | G187-S191 VanDerWaalsContact O-CB 3.31Å; G187-S191 WeakPolarHBondContact O-CB 3.27Å; G187-S191 PolarHBondContact O-N 2.87Å; G187-S191 PolarHBondContact O-OG 2.74Å; M188-S191 WeakPolarHBondContact CA-OG 3.47Å; M188-S191 PolarHBondContact O-OG 3.25Å; I189-S191 PolarHBondContact O-N 2.99Å; S191-I193 VanDerWaalsContact C-N 3.33Å; S191-I194 PolarHBondContact O-N 2.93Å; S191-L195 VanDerWaalsContact O-CB 3.31Å; S191-L195 WeakPolarHBondContact O-CB 3.34Å; S191-L195 PolarHBondContact O-N 3.4Å; S191-Y245 WeakPolarHBondContact CB-OH 3.21Å; S191-Y245 PolarHBondContact OG-OH 3.23Å; S191-V249 WeakPolarHBondContact OG-CG1 3.42Å |
| 192 | L | 83.4 | Confident | 81.9 | Confident | 85 Ų | 85 | 75.5 Ų | 75.5 | 45% | 0.445 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 172.4 | -78.1 | 175.1 | 0 | 0 | 0 | 111 | M188 I189 L195 F196 Y245 | M188-L192 WeakPolarHBondContact O-CG 3.19Å; M188-L192 PolarHBondContact O-N 3.27Å; I189-L192 WeakPolarHBondContact O-CB 3.47Å; I189-L192 PolarHBondContact O-N 2.93Å; L192-L195 PolarHBondContact O-N 2.78Å; L192-F196 WeakPolarHBondContact O-CB 3.44Å; L192-F196 PolarHBondContact O-N 2.95Å; L192-Y245 WeakPolarHBondContact CA-OH 3.43Å; L192-Y245 HydrophobicContact CD1-CE1 4.4Å; L192-Y245 HydrophobicContact CD2-CD1 4.29Å; L192-Y245 HydrophobicContact CD2-CE1 3.47Å; L192-Y245 VanDerWaalsContact CD2-CE1 3.47Å; L192-Y245 HydrophobicContact CD2-CE2 4.06Å; L192-Y245 WeakPolarHBondContact CD2-OH 3.3Å; L192-Y245 HydrophobicContact CG-CE1 3.73Å; L192-Y245 WeakPolarHBondContact CG-OH 3.02Å; L192-Y245 PolarHBondContact N-OH 2.82Å |
| 193 | I | 82.7 | Confident | 80.4 | Confident | 99 Ų | 99 | 78.4 Ų | 78.4 | 51% | 0.508 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 176.5 | -64.2 | 166.1 | 0 | 0 | 0 | 110.5 | I189 A190 S191 F196 F197 | I189-I193 HydrophobicContact CG2-CD1 4.13Å; I189-I193 WeakPolarHBondContact O-CG1 3.34Å; I189-I193 PolarHBondContact O-N 2.86Å; I189-I193 VanDerWaalsContact O-N 3.1Å; A190-I193 WeakPolarHBondContact O-CB 3.19Å; A190-I193 PolarHBondContact O-N 2.99Å; S191-I193 VanDerWaalsContact C-N 3.33Å; I193-F196 PolarHBondContact O-N 3.36Å; I193-F197 WeakPolarHBondContact O-CB 3.24Å; I193-F197 PolarHBondContact O-N 3.45Å |
| 194 | I | 83.4 | Confident | 78.7 | Confident | 100 Ų | 100 | 82.1 Ų | 82.1 | 51% | 0.513 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.3 | -46.8 | 177.2 | -66.5 | 164.7 | 0 | 0 | 0 | 111 | A190 S191 F196 F197 I198 | A190-I194 WeakPolarHBondContact O-CG1 3.34Å; A190-I194 PolarHBondContact O-N 2.82Å; S191-I194 PolarHBondContact O-N 2.93Å; I194-F196 VanDerWaalsContact C-N 3.27Å; I194-F196 PolarHBondContact O-N 3.48Å; I194-F197 WeakPolarHBondContact O-CB 3.48Å; I194-F197 PolarHBondContact O-N 2.97Å; I194-F197 VanDerWaalsContact O-N 3.15Å; I194-I198 HydrophobicContact CG2-CD1 3.77Å; I194-I198 HydrophobicContact CG2-CG1 4.36Å; I194-I198 VanDerWaalsContact O-CG1 3.3Å; I194-I198 WeakPolarHBondContact O-CG1 3.17Å; I194-I198 PolarHBondContact O-N 2.9Å |
| 195 | L | 79.6 | Confident | 77 | Confident | 82 Ų | 82 | 86.7 Ų | 86.7 | 43% | 0.429 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56.1 | -45.8 | 176.6 | -176.9 | 78.4 | 0 | 0 | 0 | 110.4 | S191 L192 I198 L199 Y245 | S191-L195 VanDerWaalsContact O-CB 3.31Å; S191-L195 WeakPolarHBondContact O-CB 3.34Å; S191-L195 PolarHBondContact O-N 3.4Å; L192-L195 PolarHBondContact O-N 2.78Å; L195-I198 PolarHBondContact O-N 3.36Å; L195-L199 HydrophobicContact CG-CD1 4.21Å; L195-L199 WeakPolarHBondContact O-CG 3.46Å; L195-L199 PolarHBondContact O-N 3.29Å; L195-Y245 HydrophobicContact CD2-CE2 4.37Å |
| 196 | F | 74 | Confident | 75.2 | Confident | 52 Ų | 52 | 93.8 Ų | 93.8 | 23% | 0.228 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 176.7 | 177.3 | -96.7 | 0 | 0 | 0 | 112.2 | L192 I193 I194 I198 L199 S200 F219 A223 | L192-F196 WeakPolarHBondContact O-CB 3.44Å; L192-F196 PolarHBondContact O-N 2.95Å; I193-F196 PolarHBondContact O-N 3.36Å; I194-F196 VanDerWaalsContact C-N 3.27Å; I194-F196 PolarHBondContact O-N 3.48Å; F196-I198 VanDerWaalsContact C-N 3.27Å; F196-I198 PolarHBondContact O-N 2.92Å; F196-L199 PolarHBondContact O-N 3.39Å; F196-S200 WeakPolarHBondContact O-CB 3.49Å; F196-S200 PolarHBondContact O-N 3.05Å; F196-F219 HydrophobicContact CD1-CE1 4.36Å; F196-F219 AromaticContact CE1-CD1 3.79Å; F196-F219 HydrophobicContact CE1-CD1 3.79Å; F196-F219 AromaticContact CE1-CE1 3.17Å; F196-F219 HydrophobicContact CE1-CE1 3.17Å; F196-F219 AromaticContact CE1-CZ 3.7Å; F196-F219 HydrophobicContact CE1-CZ 3.7Å; F196-F219 HydrophobicContact CE2-CZ 4.41Å; F196-F219 HydrophobicContact CZ-CD1 4.18Å; F196-F219 AromaticContact CZ-CE1 3.34Å; F196-F219 HydrophobicContact CZ-CE1 3.34Å; F196-F219 HydrophobicContact CZ-CE2 4.13Å; F196-F219 AromaticContact CZ-CZ 3.3Å; F196-F219 HydrophobicContact CZ-CZ 3.3Å; F196-A223 HydrophobicContact CD1-CB 3.58Å; F196-A223 HydrophobicContact CD2-CB 3.81Å; F196-A223 HydrophobicContact CE1-CB 3.04Å; F196-A223 HydrophobicContact CE2-CB 3.33Å; F196-A223 HydrophobicContact CG-CB 3.94Å; F196-A223 HydrophobicContact CZ-CB 2.94Å |
| 197 | F | 71.9 | Confident | 73.6 | Confident | 131 Ų | 131 | 91.8 Ų | 91.8 | 58% | 0.575 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.1 | -40.5 | 176.1 | -176.9 | -99.7 | 0 | 0 | 0 | 111.7 | I193 I194 S200 R201 | I193-F197 WeakPolarHBondContact O-CB 3.24Å; I193-F197 PolarHBondContact O-N 3.45Å; I194-F197 WeakPolarHBondContact O-CB 3.48Å; I194-F197 PolarHBondContact O-N 2.97Å; I194-F197 VanDerWaalsContact O-N 3.15Å; F197-S200 PolarHBondContact O-N 2.93Å; F197-S200 PolarHBondContact O-OG 2.89Å; F197-R201 PolarHBondContact O-N 3.49Å |
| 198 | I | 75.6 | Confident | 71.9 | Confident | 77 Ų | 77 | 96 Ų | 96 | 40% | 0.395 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -49.2 | 175.5 | -69 | 169.8 | 0 | 0 | 0 | 110.8 | I194 L195 F196 S200 R201 F202 | I194-I198 HydrophobicContact CG2-CD1 3.77Å; I194-I198 HydrophobicContact CG2-CG1 4.36Å; I194-I198 VanDerWaalsContact O-CG1 3.3Å; I194-I198 WeakPolarHBondContact O-CG1 3.17Å; I194-I198 PolarHBondContact O-N 2.9Å; L195-I198 PolarHBondContact O-N 3.36Å; F196-I198 VanDerWaalsContact C-N 3.27Å; F196-I198 PolarHBondContact O-N 2.92Å; I198-S200 VanDerWaalsContact C-N 3.25Å; I198-S200 PolarHBondContact O-N 2.7Å; I198-R201 WeakPolarHBondContact O-CB 3.29Å; I198-R201 PolarHBondContact O-N 2.93Å; I198-F202 HydrophobicContact CG2-CD2 3.97Å; I198-F202 HydrophobicContact CG2-CE2 3.42Å; I198-F202 VanDerWaalsContact CG2-CE2 3.42Å; I198-F202 HydrophobicContact CG2-CZ 4.48Å; I198-F202 WeakPolarHBondContact O-CD2 3.43Å; I198-F202 PolarHBondContact O-N 2.93Å |
| 199 | L | 69.2 | Low | 70.3 | Confident | 102 Ų | 102 | 101 Ų | 101 | 53% | 0.534 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.7 | -37.7 | 177.3 | -71.8 | 171.2 | 0 | 0 | 0 | 112.1 | L195 F196 R201 F202 | L195-L199 HydrophobicContact CG-CD1 4.21Å; L195-L199 WeakPolarHBondContact O-CG 3.46Å; L195-L199 PolarHBondContact O-N 3.29Å; F196-L199 PolarHBondContact O-N 3.39Å; L199-R201 VanDerWaalsContact C-N 3.27Å; L199-R201 PolarHBondContact O-N 3.07Å; L199-F202 PolarHBondContact O-N 3.43Å |
| 200 | S | 62.7 | Low | 68.9 | Low | 8 Ų | 8 | 100.9 Ų | 100.9 | 6% | 0.056 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -63.8 | -32.5 | 176.1 | 77.7 | 0 | 0 | 0 | 0 | 113.6 | F196 F197 I198 F202 L203 | F196-S200 WeakPolarHBondContact O-CB 3.49Å; F196-S200 PolarHBondContact O-N 3.05Å; F197-S200 PolarHBondContact O-N 2.93Å; F197-S200 PolarHBondContact O-OG 2.89Å; I198-S200 VanDerWaalsContact C-N 3.25Å; I198-S200 PolarHBondContact O-N 2.7Å; S200-F202 VanDerWaalsContact C-N 3.26Å; S200-F202 PolarHBondContact O-N 3.16Å; S200-L203 WeakPolarHBondContact O-CB 3.15Å; S200-L203 PolarHBondContact O-N 2.78Å |
| 201 | R | 68.8 | Low | 67.5 | Low | 201 Ų | 201 | 106.8 Ų | 106.8 | 76% | 0.758 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.6 | -23.2 | 178.1 | -172.3 | 175.8 | 178.3 | 129.8 | -1.9 | 112.3 | F197 I198 L199 L203 | F197-R201 PolarHBondContact O-N 3.49Å; I198-R201 WeakPolarHBondContact O-CB 3.29Å; I198-R201 PolarHBondContact O-N 2.93Å; L199-R201 VanDerWaalsContact C-N 3.27Å; L199-R201 PolarHBondContact O-N 3.07Å; R201-L203 VanDerWaalsContact C-N 3.33Å |
| 202 | F | 62.7 | Low | 66 | Low | 163 Ų | 163 | 110.4 Ų | 110.4 | 72% | 0.715 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -2.4 | 177.1 | -69 | -66.8 | 0 | 0 | 0 | 113.7 | I198 L199 S200 | I198-F202 HydrophobicContact CG2-CD2 3.97Å; I198-F202 HydrophobicContact CG2-CE2 3.42Å; I198-F202 VanDerWaalsContact CG2-CE2 3.42Å; I198-F202 HydrophobicContact CG2-CZ 4.48Å; I198-F202 WeakPolarHBondContact O-CD2 3.43Å; I198-F202 PolarHBondContact O-N 2.93Å; L199-F202 PolarHBondContact O-N 3.43Å; S200-F202 VanDerWaalsContact C-N 3.26Å; S200-F202 PolarHBondContact O-N 3.16Å |
| 203 | L | 61.1 | Low | 64.8 | Low | 90 Ų | 90 | 108.6 Ų | 108.6 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -71.3 | 139.6 | 174.5 | -67.6 | 172.2 | 0 | 0 | 0 | 111.4 | S200 R201 K205 I213 | S200-L203 WeakPolarHBondContact O-CB 3.15Å; S200-L203 PolarHBondContact O-N 2.78Å; R201-L203 VanDerWaalsContact C-N 3.33Å; L203-K205 PolarHBondContact O-N 3.36Å; L203-I213 HydrophobicContact CD1-CD1 4.33Å |
| 204 | P | 56.2 | Low | 63.7 | Low | 98 Ų | 98 | 109.3 Ų | 109.3 | 64% | 0.636 | 54% | 0.535 | S | S | * | . | trans | -64.2 | 124.1 | -170.9 | 22.5 | -32.2 | 0 | 0 | 0 | 112.8 | K206 S207 | P204-K206 PolarHBondContact O-N 3.26Å; P204-S207 PolarHBondContact O-N 3.37Å | ||
| 205 | K | 56 | Low | 62.5 | Low | 156 Ų | 156 | 106.7 Ų | 106.7 | 68% | 0.678 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -6.1 | -177 | -65.7 | -176.1 | 174 | 178.3 | 0 | 116.4 | L203 Y210 | L203-K205 PolarHBondContact O-N 3.36Å; K205-Y210 HydrophobicContact CB-CD2 4.34Å; K205-Y210 HydrophobicContact CB-CE2 4.4Å; K205-Y210 HydrophobicContact CD-CE2 4.47Å; K205-Y210 HydrophobicContact CG-CD2 4.1Å; K205-Y210 HydrophobicContact CG-CE2 3.75Å |
| 206 | K | 55 | Low | 62 | Low | 208 Ų | 208 | 104.9 Ų | 104.9 | 90% | 0.904 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -6.9 | -172.1 | -64.6 | -103 | 179.7 | 171.1 | 0 | 113.5 | P204 | P204-K206 PolarHBondContact O-N 3.26Š|
| 207 | S | 57 | Low | 61.4 | Low | 47 Ų | 47 | 113.2 Ų | 113.2 | 33% | 0.329 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -91 | 141.7 | -177.4 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | P204 F209 Y210 | P204-S207 PolarHBondContact O-N 3.37Å; S207-F209 PolarHBondContact O-N 2.92Å; S207-F209 WeakPolarHBondContact OG-CD2 3.17Å; S207-Y210 WeakPolarHBondContact O-CB 3.48Å; S207-Y210 PolarHBondContact O-N 3.28Å |
| 208 | P | 55.1 | Low | 61.1 | Low | 110 Ų | 110 | 109.7 Ų | 109.7 | 71% | 0.714 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -15.4 | 175.3 | 23.5 | -34.6 | 0 | 0 | 0 | 113.4 | Y210 M211 | P208-Y210 VanDerWaalsContact C-N 3.29Å; P208-Y210 PolarHBondContact O-N 3.12Å; P208-M211 PolarHBondContact O-N 2.86Å |
| 209 | F | 56.6 | Low | 60.7 | Low | 136 Ų | 136 | 107.4 Ų | 107.4 | 60% | 0.596 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.3 | -25.4 | 170.5 | -72.5 | -96.7 | 0 | 0 | 0 | 114.3 | S207 M211 L212 I213 | S207-F209 PolarHBondContact O-N 2.92Å; S207-F209 WeakPolarHBondContact OG-CD2 3.17Å; F209-M211 VanDerWaalsContact C-N 3.28Å; F209-M211 PolarHBondContact O-N 3.34Å; F209-L212 WeakPolarHBondContact O-CB 3.38Å; F209-L212 PolarHBondContact O-N 3.13Å; F209-L212 VanDerWaalsContact O-N 3.14Å; F209-I213 WeakPolarHBondContact O-CG1 3.44Å; F209-I213 PolarHBondContact O-N 3.48Å |
| 210 | Y | 58 | Low | 60.6 | Low | 103 Ų | 103 | 105.4 Ų | 105.4 | 40% | 0.404 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.7 | -31.3 | 177.1 | -171.1 | -95.2 | 0 | 0 | 0 | 112.4 | K205 S207 P208 L212 I213 V214 | K205-Y210 HydrophobicContact CB-CD2 4.34Å; K205-Y210 HydrophobicContact CB-CE2 4.4Å; K205-Y210 HydrophobicContact CD-CE2 4.47Å; K205-Y210 HydrophobicContact CG-CD2 4.1Å; K205-Y210 HydrophobicContact CG-CE2 3.75Å; S207-Y210 WeakPolarHBondContact O-CB 3.48Å; S207-Y210 PolarHBondContact O-N 3.28Å; P208-Y210 VanDerWaalsContact C-N 3.29Å; P208-Y210 PolarHBondContact O-N 3.12Å; Y210-L212 VanDerWaalsContact C-N 3.31Å; Y210-I213 PolarHBondContact O-N 3.41Å; Y210-V214 PolarHBondContact O-N 2.86Å |
| 211 | M | 58.5 | Low | 60.9 | Low | 167 Ų | 167 | 108.7 Ų | 108.7 | 82% | 0.823 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -72.6 | -27 | 175.2 | -155.8 | 178.3 | 179.5 | 0 | 0 | 112 | P208 F209 | P208-M211 PolarHBondContact O-N 2.86Å; F209-M211 VanDerWaalsContact C-N 3.28Å; F209-M211 PolarHBondContact O-N 3.34Å |
| 212 | L | 59.4 | Low | 60.9 | Low | 104 Ų | 104 | 104 Ų | 104 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -80.1 | -28.8 | 175.4 | -155.6 | 131.8 | 0 | 0 | 0 | 112.2 | F209 Y210 G215 | F209-L212 WeakPolarHBondContact O-CB 3.38Å; F209-L212 PolarHBondContact O-N 3.13Å; F209-L212 VanDerWaalsContact O-N 3.14Å; Y210-L212 VanDerWaalsContact C-N 3.31Å; L212-G215 WeakPolarHBondContact O-CA 3.32Å; L212-G215 PolarHBondContact O-N 3.43Å; L212-G215 VanDerWaalsContact O-N 3.07Å |
| 213 | I | 56.5 | Low | 61.1 | Low | 46 Ų | 46 | 96.3 Ų | 96.3 | 24% | 0.236 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -68.6 | -31.5 | 173.2 | -71.1 | 166 | 0 | 0 | 0 | 112.1 | L203 F209 Y210 G215 F219 | L203-I213 HydrophobicContact CD1-CD1 4.33Å; F209-I213 WeakPolarHBondContact O-CG1 3.44Å; F209-I213 PolarHBondContact O-N 3.48Å; Y210-I213 PolarHBondContact O-N 3.41Å; I213-G215 PolarHBondContact O-N 3.47Å; I213-F219 HydrophobicContact CD1-CE2 4.27Å; I213-F219 HydrophobicContact CD1-CZ 4.48Å; I213-F219 HydrophobicContact CG1-CD2 3.85Å; I213-F219 HydrophobicContact CG1-CE2 3.78Å; I213-F219 HydrophobicContact CG1-CG 4.33Å; I213-F219 HydrophobicContact CG1-CZ 4.18Å |
| 214 | V | 60.6 | Low | 61.4 | Low | 114 Ų | 114 | 96.5 Ų | 96.5 | 69% | 0.691 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -70.8 | -19 | 170.3 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | Y210 G216 | Y210-V214 PolarHBondContact O-N 2.86Å; V214-G216 PolarHBondContact O-N 3.34Å |
| 215 | G | 58.3 | Low | 61.9 | Low | 46 Ų | 46 | 94.4 Ų | 94.4 | 47% | 0.474 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -86.5 | 41.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | L212 I213 | L212-G215 WeakPolarHBondContact O-CA 3.32Å; L212-G215 PolarHBondContact O-N 3.43Å; L212-G215 VanDerWaalsContact O-N 3.07Å; I213-G215 PolarHBondContact O-N 3.47Å |
| 216 | G | 69.1 | Low | 62.5 | Low | 44 Ų | 44 | 89.8 Ų | 89.8 | 45% | 0.454 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | -153.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | V214 S218 F219 | V214-G216 PolarHBondContact O-N 3.34Å; G216-S218 PolarHBondContact O-N 3.1Å; G216-F219 PolarHBondContact O-N 2.95Å; G216-F219 VanDerWaalsContact O-N 3.07Å |
| 217 | W | 61.1 | Low | 63 | Low | 226 Ų | 226 | 82.9 Ų | 82.9 | 86% | 0.856 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -49.6 | -25.5 | -164.6 | -76.3 | 36.8 | 0 | 0 | 0 | 115.5 | F219 S220 L221 | W217-F219 VanDerWaalsContact C-N 3.28Å; W217-F219 PolarHBondContact O-N 3.26Å; W217-S220 PolarHBondContact O-N 3.14Å; W217-L221 WeakPolarHBondContact O-CG 3.44Å; W217-L221 PolarHBondContact O-N 2.71Å; W217-L221 VanDerWaalsContact O-N 3.08Å |
| 218 | S | 65.8 | Low | 63.3 | Low | 58 Ų | 58 | 84.9 Ų | 84.9 | 41% | 0.406 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.9 | -34.7 | 178.1 | -56.3 | 0 | 0 | 0 | 0 | 113.3 | G216 Y222 | G216-S218 PolarHBondContact O-N 3.1Å; S218-Y222 WeakPolarHBondContact O-CB 3.29Å; S218-Y222 PolarHBondContact O-N 3.32Å |
| 219 | F | 68.1 | Low | 63.9 | Low | 28 Ų | 28 | 85.8 Ų | 85.8 | 12% | 0.123 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -71.7 | -43.6 | 178.3 | -179.8 | -106 | 0 | 0 | 0 | 111.9 | F196 I213 G216 W217 L221 Y222 A223 | F196-F219 HydrophobicContact CD1-CE1 4.36Å; F196-F219 AromaticContact CE1-CD1 3.79Å; F196-F219 HydrophobicContact CE1-CD1 3.79Å; F196-F219 AromaticContact CE1-CE1 3.17Å; F196-F219 HydrophobicContact CE1-CE1 3.17Å; F196-F219 AromaticContact CE1-CZ 3.7Å; F196-F219 HydrophobicContact CE1-CZ 3.7Å; F196-F219 HydrophobicContact CE2-CZ 4.41Å; F196-F219 HydrophobicContact CZ-CD1 4.18Å; F196-F219 AromaticContact CZ-CE1 3.34Å; F196-F219 HydrophobicContact CZ-CE1 3.34Å; F196-F219 HydrophobicContact CZ-CE2 4.13Å; F196-F219 AromaticContact CZ-CZ 3.3Å; F196-F219 HydrophobicContact CZ-CZ 3.3Å; I213-F219 HydrophobicContact CD1-CE2 4.27Å; I213-F219 HydrophobicContact CD1-CZ 4.48Å; I213-F219 HydrophobicContact CG1-CD2 3.85Å; I213-F219 HydrophobicContact CG1-CE2 3.78Å; I213-F219 HydrophobicContact CG1-CG 4.33Å; I213-F219 HydrophobicContact CG1-CZ 4.18Å; G216-F219 PolarHBondContact O-N 2.95Å; G216-F219 VanDerWaalsContact O-N 3.07Å; W217-F219 VanDerWaalsContact C-N 3.28Å; W217-F219 PolarHBondContact O-N 3.26Å; F219-L221 VanDerWaalsContact C-N 3.28Å; F219-L221 PolarHBondContact O-N 3.44Å; F219-Y222 PolarHBondContact O-N 2.68Å; F219-A223 VanDerWaalsContact O-CB 3.3Å; F219-A223 WeakPolarHBondContact O-CB 3.37Å; F219-A223 PolarHBondContact O-N 3.44Å |
| 220 | S | 66.6 | Low | 64.6 | Low | 61 Ų | 61 | 82.1 Ų | 82.1 | 43% | 0.427 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.5 | -36.8 | 175.1 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | W217 A223 I224 | W217-S220 PolarHBondContact O-N 3.14Å; S220-A223 WeakPolarHBondContact O-CB 3.36Å; S220-I224 WeakPolarHBondContact O-CD1 3.27Å; S220-I224 WeakPolarHBondContact O-CG1 3.36Å; S220-I224 PolarHBondContact O-N 3.31Å; S220-I224 VanDerWaalsContact O-N 3.07Å |
| 221 | L | 68.5 | Low | 65.1 | Low | 76 Ų | 76 | 81.4 Ų | 81.4 | 40% | 0.398 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70.4 | -42.9 | 175.8 | -68.7 | 174.1 | 0 | 0 | 0 | 112.3 | F109 W217 F219 A223 I224 Q225 | F109-L221 HydrophobicContact CE2-CD1 3.67Å; F109-L221 HydrophobicContact CZ-CD1 4.14Å; W217-L221 WeakPolarHBondContact O-CG 3.44Å; W217-L221 PolarHBondContact O-N 2.71Å; W217-L221 VanDerWaalsContact O-N 3.08Å; F219-L221 VanDerWaalsContact C-N 3.28Å; F219-L221 PolarHBondContact O-N 3.44Å; L221-A223 VanDerWaalsContact C-N 3.27Å; L221-A223 PolarHBondContact O-N 3.13Å; L221-I224 PolarHBondContact O-N 2.84Å; L221-Q225 VanDerWaalsContact O-CB 3.3Å; L221-Q225 WeakPolarHBondContact O-CB 3.49Å; L221-Q225 PolarHBondContact O-N 2.93Å |
| 222 | Y | 69.8 | Low | 65.6 | Low | 103 Ų | 103 | 76 Ų | 76 | 40% | 0.404 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 175 | 179.8 | -105.1 | 0 | 0 | 0 | 112.1 | F112 S218 F219 Q225 L226 | F112-Y222 AromaticContact CE1-CD2 3.95Å; F112-Y222 HydrophobicContact CE1-CD2 3.95Å; F112-Y222 HydrophobicContact CZ-CD2 4.38Å; S218-Y222 WeakPolarHBondContact O-CB 3.29Å; S218-Y222 PolarHBondContact O-N 3.32Å; F219-Y222 PolarHBondContact O-N 2.68Å; Y222-Q225 PolarHBondContact O-N 3.35Å; Y222-L226 WeakPolarHBondContact O-CB 3.44Å; Y222-L226 PolarHBondContact O-N 3.47Å |
| 223 | A | 65.8 | Low | 66.3 | Low | 2 Ų | 2 | 75.8 Ų | 75.8 | 2% | 0.017 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.3 | -51.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F196 F219 S220 L221 Q225 L226 V227 | F196-A223 HydrophobicContact CD1-CB 3.58Å; F196-A223 HydrophobicContact CD2-CB 3.81Å; F196-A223 HydrophobicContact CE1-CB 3.04Å; F196-A223 HydrophobicContact CE2-CB 3.33Å; F196-A223 HydrophobicContact CG-CB 3.94Å; F196-A223 HydrophobicContact CZ-CB 2.94Å; F219-A223 VanDerWaalsContact O-CB 3.3Å; F219-A223 WeakPolarHBondContact O-CB 3.37Å; F219-A223 PolarHBondContact O-N 3.44Å; S220-A223 WeakPolarHBondContact O-CB 3.36Å; L221-A223 VanDerWaalsContact C-N 3.27Å; L221-A223 PolarHBondContact O-N 3.13Å; A223-Q225 VanDerWaalsContact C-N 3.26Å; A223-Q225 PolarHBondContact O-N 3.48Å; A223-L226 WeakPolarHBondContact O-CB 3.18Å; A223-L226 PolarHBondContact O-N 3.4Å; A223-L226 VanDerWaalsContact O-N 3.16Å; A223-V227 WeakPolarHBondContact O-CG2 3.31Å; A223-V227 PolarHBondContact O-N 3.33Å |
| 224 | I | 67.5 | Low | 67.1 | Low | 94 Ų | 94 | 77 Ų | 77 | 48% | 0.482 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 178 | -68.8 | 164 | 0 | 0 | 0 | 108.8 | S220 L221 L226 V227 C228 | S220-I224 WeakPolarHBondContact O-CD1 3.27Å; S220-I224 WeakPolarHBondContact O-CG1 3.36Å; S220-I224 PolarHBondContact O-N 3.31Å; S220-I224 VanDerWaalsContact O-N 3.07Å; L221-I224 PolarHBondContact O-N 2.84Å; I224-L226 PolarHBondContact O-N 2.86Å; I224-V227 PolarHBondContact O-N 2.95Å; I224-C228 WeakPolarHBondContact O-CB 3.45Å; I224-C228 PolarHBondContact O-N 3.49Å; I224-C228 PolarHBondContact O-SG 3.32Å |
| 225 | Q | 66.8 | Low | 67.7 | Low | 53 Ų | 53 | 76.5 Ų | 76.5 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 175.2 | -175.4 | 179.6 | -4 | 0 | 0 | 112.2 | L221 Y222 A223 C228 R229 | L221-Q225 VanDerWaalsContact O-CB 3.3Å; L221-Q225 WeakPolarHBondContact O-CB 3.49Å; L221-Q225 PolarHBondContact O-N 2.93Å; Y222-Q225 PolarHBondContact O-N 3.35Å; A223-Q225 VanDerWaalsContact C-N 3.26Å; A223-Q225 PolarHBondContact O-N 3.48Å; Q225-C228 PolarHBondContact O-N 3.41Å; Q225-R229 VanDerWaalsContact O-CB 3.31Å; Q225-R229 WeakPolarHBondContact O-CB 3.44Å; Q225-R229 PolarHBondContact O-N 3.18Å |
| 226 | L | 67.8 | Low | 68.6 | Low | 59 Ų | 59 | 84.6 Ų | 84.6 | 31% | 0.309 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 178 | -177.5 | 65.6 | 0 | 0 | 0 | 111.9 | Y222 A223 I224 R229 N230 | Y222-L226 WeakPolarHBondContact O-CB 3.44Å; Y222-L226 PolarHBondContact O-N 3.47Å; A223-L226 WeakPolarHBondContact O-CB 3.18Å; A223-L226 PolarHBondContact O-N 3.4Å; A223-L226 VanDerWaalsContact O-N 3.16Å; I224-L226 PolarHBondContact O-N 2.86Å; L226-R229 PolarHBondContact O-N 3.21Å; L226-N230 WeakPolarHBondContact O-CB 3.45Å; L226-N230 PolarHBondContact O-N 3.17Å |
| 227 | V | 66.3 | Low | 69.3 | Low | 64 Ų | 64 | 89.2 Ų | 89.2 | 39% | 0.388 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.4 | -47.5 | 176.9 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | A223 I224 R229 N230 L231 | A223-V227 WeakPolarHBondContact O-CG2 3.31Å; A223-V227 PolarHBondContact O-N 3.33Å; I224-V227 PolarHBondContact O-N 2.95Å; V227-R229 VanDerWaalsContact C-N 3.29Å; V227-R229 PolarHBondContact O-N 2.93Å; V227-N230 CarbonylContact O-C 3.45Å; V227-N230 PolarHBondContact O-N 2.73Å; V227-L231 HydrophobicContact CG1-CD1 4.15Å; V227-L231 WeakPolarHBondContact O-CA 3.35Å; V227-L231 WeakPolarHBondContact O-CB 3.37Å; V227-L231 PolarHBondContact O-N 2.99Å |
| 228 | C | 63.7 | Low | 70.4 | Confident | 89 Ų | 89 | 84 Ų | 84 | 60% | 0.601 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -58.9 | -39.7 | 177.4 | -72.8 | 0 | 0 | 0 | 0 | 112.1 | I224 Q225 | I224-C228 WeakPolarHBondContact O-CB 3.45Å; I224-C228 PolarHBondContact O-N 3.49Å; I224-C228 PolarHBondContact O-SG 3.32Å; Q225-C228 PolarHBondContact O-N 3.41Å |
| 229 | R | 66.7 | Low | 71.3 | Confident | 129 Ų | 129 | 87.7 Ų | 87.7 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.6 | -41 | 178.2 | -173.1 | 174.3 | 67.3 | 178.9 | -0.4 | 112.4 | E115 Q225 L226 V227 | E115-R229 IonicContact OE1-NH1 2.99Å; E115-R229 PolarHBondContact OE1-NH1 3Å; E115-R229 IonicContact OE2-NH1 3.99Å; Q225-R229 VanDerWaalsContact O-CB 3.31Å; Q225-R229 WeakPolarHBondContact O-CB 3.44Å; Q225-R229 PolarHBondContact O-N 3.18Å; L226-R229 PolarHBondContact O-N 3.21Å; V227-R229 VanDerWaalsContact C-N 3.29Å; V227-R229 PolarHBondContact O-N 2.93Å |
| 230 | N | 70.9 | Confident | 72.2 | Confident | 59 Ų | 59 | 92.5 Ų | 92.5 | 32% | 0.316 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -95.3 | 1.3 | -175.7 | -64.9 | -16.7 | 0 | 0 | 0 | 113.3 | L226 V227 G232 V233 I234 | L226-N230 WeakPolarHBondContact O-CB 3.45Å; L226-N230 PolarHBondContact O-N 3.17Å; V227-N230 CarbonylContact O-C 3.45Å; V227-N230 PolarHBondContact O-N 2.73Å; N230-G232 VanDerWaalsContact C-N 3.28Å; N230-G232 PolarHBondContact O-N 2.05Å; N230-V233 PolarHBondContact O-N 3.5Å; N230-I234 HydrophobicContact CB-CD1 4.11Å; N230-I234 WeakPolarHBondContact O-CG1 3.32Å; N230-I234 PolarHBondContact O-N 3.34Å |
| 231 | L | 68.6 | Low | 73.1 | Confident | 87 Ų | 87 | 92.8 Ų | 92.8 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -55.5 | -44 | -174.9 | -164.2 | 84.8 | 0 | 0 | 0 | 111.5 | V227 V233 I234 L235 | V227-L231 HydrophobicContact CG1-CD1 4.15Å; V227-L231 WeakPolarHBondContact O-CA 3.35Å; V227-L231 WeakPolarHBondContact O-CB 3.37Å; V227-L231 PolarHBondContact O-N 2.99Å; L231-V233 VanDerWaalsContact C-N 3.34Å; L231-V233 PolarHBondContact O-N 3.47Å; L231-I234 PolarHBondContact O-N 2.8Å; L231-L235 HydrophobicContact CG-CD1 4.42Å; L231-L235 WeakPolarHBondContact O-CB 3.48Å; L231-L235 PolarHBondContact O-N 2.93Å |
| 232 | G | 70.7 | Confident | 73.9 | Confident | 55 Ų | 55 | 90.5 Ų | 90.5 | 57% | 0.567 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.4 | -32.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N230 R236 | N230-G232 VanDerWaalsContact C-N 3.28Å; N230-G232 PolarHBondContact O-N 2.05Å; G232-R236 VanDerWaalsContact O-CB 3.28Å; G232-R236 WeakPolarHBondContact O-CB 3.22Å; G232-R236 PolarHBondContact O-N 3.43Å |
| 233 | V | 74.1 | Confident | 74.7 | Confident | 98 Ų | 98 | 90.2 Ų | 90.2 | 59% | 0.594 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -72.9 | -44.1 | 175.5 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | N230 L231 R236 E237 | N230-V233 PolarHBondContact O-N 3.5Å; L231-V233 VanDerWaalsContact C-N 3.34Å; L231-V233 PolarHBondContact O-N 3.47Å; V233-R236 PolarHBondContact O-N 3.28Å; V233-E237 VanDerWaalsContact O-CB 3.26Å; V233-E237 WeakPolarHBondContact O-CB 3.48Å; V233-E237 PolarHBondContact O-N 3.47Å |
| 234 | I | 72.6 | Confident | 75.9 | Confident | 73 Ų | 73 | 91.8 Ų | 91.8 | 37% | 0.374 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 178.5 | -64.5 | 164.3 | 0 | 0 | 0 | 111 | N230 L231 R236 H238 | N230-I234 HydrophobicContact CB-CD1 4.11Å; N230-I234 WeakPolarHBondContact O-CG1 3.32Å; N230-I234 PolarHBondContact O-N 3.34Å; L231-I234 PolarHBondContact O-N 2.8Å; I234-R236 VanDerWaalsContact C-N 3.32Å; I234-R236 PolarHBondContact O-N 3.22Å; I234-H238 CarbonylContact O-C 3.57Å; I234-H238 WeakPolarHBondContact O-CA 3.27Å; I234-H238 WeakPolarHBondContact O-CB 3.33Å; I234-H238 PolarHBondContact O-N 3.27Å |
| 235 | L | 72.4 | Confident | 77 | Confident | 102 Ų | 102 | 89.9 Ų | 89.9 | 53% | 0.534 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.8 | -30.4 | 178.8 | -113.1 | 71.2 | 0 | 0 | 0 | 113 | L231 W239 A242 | L231-L235 HydrophobicContact CG-CD1 4.42Å; L231-L235 WeakPolarHBondContact O-CB 3.48Å; L231-L235 PolarHBondContact O-N 2.93Å; L235-W239 WeakPolarHBondContact O-CA 3.47Å; L235-W239 WeakPolarHBondContact O-CB 3.46Å; L235-A242 HydrophobicContact CD1-CB 4.44Å |
| 236 | R | 77.9 | Confident | 78.1 | Confident | 217 Ų | 217 | 91.2 Ų | 91.2 | 82% | 0.819 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -87.6 | -44.4 | -176.8 | -168 | 175 | -176.2 | 171.7 | 0.8 | 112.5 | G232 V233 I234 | G232-R236 VanDerWaalsContact O-CB 3.28Å; G232-R236 WeakPolarHBondContact O-CB 3.22Å; G232-R236 PolarHBondContact O-N 3.43Å; V233-R236 PolarHBondContact O-N 3.28Å; I234-R236 VanDerWaalsContact C-N 3.32Å; I234-R236 PolarHBondContact O-N 3.22Å |
| 237 | E | 84.5 | Confident | 79.3 | Confident | 141 Ų | 141 | 92.5 Ų | 92.5 | 66% | 0.659 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -82.7 | -32.3 | -176.5 | -160.4 | 66.6 | -157.1 | 0 | 0 | 112.1 | V233 | V233-E237 VanDerWaalsContact O-CB 3.26Å; V233-E237 WeakPolarHBondContact O-CB 3.48Å; V233-E237 PolarHBondContact O-N 3.47Å |
| 238 | H | 83.2 | Confident | 80.6 | Confident | 115 Ų | 115 | 93.6 Ų | 93.6 | 53% | 0.532 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -126.4 | 38.9 | -173.9 | -60.5 | -51.2 | 0 | 0 | 0 | 113.1 | I234 H240 A241 A242 | I234-H238 CarbonylContact O-C 3.57Å; I234-H238 WeakPolarHBondContact O-CA 3.27Å; I234-H238 WeakPolarHBondContact O-CB 3.33Å; I234-H238 PolarHBondContact O-N 3.27Å; H238-H240 PolarHBondContact O-N 3.11Å; H238-A241 HydrophobicContact CB-CB 4.37Å; H238-A241 PolarHBondContact O-N 3.47Å; H238-A242 PolarHBondContact O-N 3.49Å; H238-A242 VanDerWaalsContact O-N 3.14Å |
| 239 | W | 84.1 | Confident | 82 | Confident | 136 Ų | 136 | 90.4 Ų | 90.4 | 52% | 0.515 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56 | -35.3 | -177.4 | 79 | -92 | 0 | 0 | 0 | 113.6 | L235 A242 L243 | L235-W239 WeakPolarHBondContact O-CA 3.47Å; L235-W239 WeakPolarHBondContact O-CB 3.46Å; W239-A242 PolarHBondContact O-N 3.4Å; W239-L243 HydrophobicContact CZ3-CD2 4.02Å; W239-L243 WeakPolarHBondContact O-CB 3.13Å; W239-L243 PolarHBondContact O-N 3.38Å |
| 240 | H | 87.9 | Confident | 83.3 | Confident | 129 Ų | 129 | 85 Ų | 85 | 60% | 0.597 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.2 | -40.9 | 176.6 | -64.3 | -73.7 | 0 | 0 | 0 | 112.9 | H238 L243 G244 | H238-H240 PolarHBondContact O-N 3.11Å; H240-L243 PolarHBondContact O-N 3.45Å; H240-G244 PolarHBondContact O-N 2.88Å |
| 241 | A | 85.3 | Confident | 84.4 | Confident | 68 Ų | 68 | 89.2 Ų | 89.2 | 56% | 0.562 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69.7 | -39 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | H238 G244 Y245 | H238-A241 HydrophobicContact CB-CB 4.37Å; H238-A241 PolarHBondContact O-N 3.47Å; A241-G244 PolarHBondContact O-N 2.67Å; A241-Y245 WeakPolarHBondContact O-CB 3.09Å; A241-Y245 PolarHBondContact O-N 3.15Å |
| 242 | A | 84.5 | Confident | 85.6 | Confident | 28 Ų | 28 | 89.8 Ų | 89.8 | 23% | 0.231 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L235 H238 W239 Y245 V246 | L235-A242 HydrophobicContact CD1-CB 4.44Å; H238-A242 PolarHBondContact O-N 3.49Å; H238-A242 VanDerWaalsContact O-N 3.14Å; W239-A242 PolarHBondContact O-N 3.4Å; A242-Y245 WeakPolarHBondContact O-CB 3.46Å; A242-Y245 PolarHBondContact O-N 3.12Å; A242-V246 VanDerWaalsContact O-CG2 3.3Å; A242-V246 WeakPolarHBondContact O-CG2 3.34Å; A242-V246 PolarHBondContact O-N 3.05Å |
| 243 | L | 88.2 | Confident | 86.7 | Confident | 96 Ų | 96 | 87.8 Ų | 87.8 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 176.5 | -173.2 | 72.1 | 0 | 0 | 0 | 111.9 | W239 H240 Y245 V246 T247 | W239-L243 HydrophobicContact CZ3-CD2 4.02Å; W239-L243 WeakPolarHBondContact O-CB 3.13Å; W239-L243 PolarHBondContact O-N 3.38Å; H240-L243 PolarHBondContact O-N 3.45Å; L243-Y245 VanDerWaalsContact C-N 3.33Å; L243-Y245 PolarHBondContact O-N 3.46Å; L243-V246 PolarHBondContact O-N 2.64Å; L243-T247 WeakPolarHBondContact O-CB 3.24Å; L243-T247 PolarHBondContact O-N 3.14Å; L243-T247 PolarHBondContact O-OG1 3.42Å |
| 244 | G | 91.1 | Very high | 87.6 | Confident | 35 Ų | 35 | 87 Ų | 87 | 36% | 0.361 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | H240 A241 T247 V248 | H240-G244 PolarHBondContact O-N 2.88Å; A241-G244 PolarHBondContact O-N 2.67Å; G244-T247 PolarHBondContact O-N 3.3Å; G244-V248 WeakPolarHBondContact O-CB 3.32Å; G244-V248 WeakPolarHBondContact O-CG2 3.27Å; G244-V248 PolarHBondContact O-N 2.93Å |
| 245 | Y | 89.5 | Confident | 88.6 | Confident | 54 Ų | 54 | 85.7 Ų | 85.7 | 21% | 0.212 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -59 | -53.2 | 174.5 | 179.4 | -94.9 | 0 | 0 | 0 | 111.8 | M188 S191 L192 L195 A241 A242 L243 T247 V248 V249 | M188-Y245 HydrophobicContact CE-CD1 3.69Å; M188-Y245 HydrophobicContact CE-CE1 3.42Å; M188-Y245 VanDerWaalsContact CE-CE1 3.42Å; M188-Y245 PolarHBondContact O-OH 3.47Å; M188-Y245 HydrophobicContact SD-CE1 4.32Å; S191-Y245 WeakPolarHBondContact CB-OH 3.21Å; S191-Y245 PolarHBondContact OG-OH 3.23Å; L192-Y245 WeakPolarHBondContact CA-OH 3.43Å; L192-Y245 HydrophobicContact CD1-CE1 4.4Å; L192-Y245 HydrophobicContact CD2-CD1 4.29Å; L192-Y245 HydrophobicContact CD2-CE1 3.47Å; L192-Y245 VanDerWaalsContact CD2-CE1 3.47Å; L192-Y245 HydrophobicContact CD2-CE2 4.06Å; L192-Y245 WeakPolarHBondContact CD2-OH 3.3Å; L192-Y245 HydrophobicContact CG-CE1 3.73Å; L192-Y245 WeakPolarHBondContact CG-OH 3.02Å; L192-Y245 PolarHBondContact N-OH 2.82Å; L195-Y245 HydrophobicContact CD2-CE2 4.37Å; A241-Y245 WeakPolarHBondContact O-CB 3.09Å; A241-Y245 PolarHBondContact O-N 3.15Å; A242-Y245 WeakPolarHBondContact O-CB 3.46Å; A242-Y245 PolarHBondContact O-N 3.12Å; L243-Y245 VanDerWaalsContact C-N 3.33Å; L243-Y245 PolarHBondContact O-N 3.46Å; Y245-T247 VanDerWaalsContact C-N 3.26Å; Y245-T247 PolarHBondContact O-N 2.87Å; Y245-V248 PolarHBondContact O-N 3.45Å; Y245-V249 HydrophobicContact CD2-CG2 3.8Å; Y245-V249 HydrophobicContact CE1-CB 4.48Å; Y245-V249 HydrophobicContact CE1-CG2 4.43Å; Y245-V249 HydrophobicContact CE2-CB 4.42Å; Y245-V249 HydrophobicContact CE2-CG2 3.55Å; Y245-V249 HydrophobicContact CG-CG2 4.34Å; Y245-V249 VanDerWaalsContact O-CB 3.22Å; Y245-V249 WeakPolarHBondContact O-CB 3.45Å; Y245-V249 WeakPolarHBondContact O-CG2 3.21Å; Y245-V249 PolarHBondContact O-N 3.36Å |
| 246 | V | 90.4 | Very high | 89.6 | Confident | 81 Ų | 81 | 84.2 Ų | 84.2 | 49% | 0.491 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.5 | -39.9 | 179.6 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | M188 A242 L243 G250 | M188-V246 HydrophobicContact CE-CB 4.11Å; M188-V246 HydrophobicContact CE-CG1 4.36Å; M188-V246 HydrophobicContact CE-CG2 3.77Å; A242-V246 VanDerWaalsContact O-CG2 3.3Å; A242-V246 WeakPolarHBondContact O-CG2 3.34Å; A242-V246 PolarHBondContact O-N 3.05Å; L243-V246 PolarHBondContact O-N 2.64Å; V246-G250 WeakPolarHBondContact O-CA 3.36Å; V246-G250 PolarHBondContact O-N 3.29Å |
| 247 | T | 92.2 | Very high | 90.2 | Very high | 87 Ų | 87 | 74.8 Ų | 74.8 | 53% | 0.534 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -71.2 | -51.7 | -178.7 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | L243 G244 Y245 F251 | L243-T247 WeakPolarHBondContact O-CB 3.24Å; L243-T247 PolarHBondContact O-N 3.14Å; L243-T247 PolarHBondContact O-OG1 3.42Å; G244-T247 PolarHBondContact O-N 3.3Å; Y245-T247 VanDerWaalsContact C-N 3.26Å; Y245-T247 PolarHBondContact O-N 2.87Å; T247-F251 VanDerWaalsContact O-CB 3.22Å; T247-F251 WeakPolarHBondContact O-CB 3.3Å; T247-F251 PolarHBondContact O-N 2.88Å |
| 248 | V | 93.5 | Very high | 90.5 | Very high | 87 Ų | 87 | 75.6 Ų | 75.6 | 53% | 0.527 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.7 | -50 | -175.9 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | G244 Y245 F251 I252 | G244-V248 WeakPolarHBondContact O-CB 3.32Å; G244-V248 WeakPolarHBondContact O-CG2 3.27Å; G244-V248 PolarHBondContact O-N 2.93Å; Y245-V248 PolarHBondContact O-N 3.45Å; V248-F251 PolarHBondContact O-N 3.04Å; V248-I252 HydrophobicContact CG1-CD1 3.86Å; V248-I252 VanDerWaalsContact O-CG1 3.27Å; V248-I252 WeakPolarHBondContact O-CG1 3.08Å; V248-I252 PolarHBondContact O-N 2.9Å |
| 249 | V | 93.9 | Very high | 91 | Very high | 22 Ų | 22 | 80.8 Ų | 80.8 | 13% | 0.133 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -72.4 | -35.9 | -178 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | M188 S191 Y245 F251 I252 S253 | M188-V249 HydrophobicContact SD-CB 3.61Å; M188-V249 HydrophobicContact SD-CG1 3.44Å; M188-V249 WeakPolarHBondContact SD-CG1 3.39Å; S191-V249 WeakPolarHBondContact OG-CG1 3.42Å; Y245-V249 HydrophobicContact CD2-CG2 3.8Å; Y245-V249 HydrophobicContact CE1-CB 4.48Å; Y245-V249 HydrophobicContact CE1-CG2 4.43Å; Y245-V249 HydrophobicContact CE2-CB 4.42Å; Y245-V249 HydrophobicContact CE2-CG2 3.55Å; Y245-V249 HydrophobicContact CG-CG2 4.34Å; Y245-V249 VanDerWaalsContact O-CB 3.22Å; Y245-V249 WeakPolarHBondContact O-CB 3.45Å; Y245-V249 WeakPolarHBondContact O-CG2 3.21Å; Y245-V249 PolarHBondContact O-N 3.36Å; V249-F251 VanDerWaalsContact C-N 3.34Å; V249-I252 PolarHBondContact O-N 3.21Å; V249-S253 VanDerWaalsContact O-CB 3.27Å; V249-S253 WeakPolarHBondContact O-CB 3.32Å; V249-S253 PolarHBondContact O-N 3.33Å; V249-S253 PolarHBondContact O-OG 3.11Å |
| 250 | G | 93.1 | Very high | 91.1 | Very high | 14 Ų | 14 | 83.4 Ų | 83.4 | 14% | 0.144 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | M188 V246 S253 F254 | M188-G250 PolarHBondContact SD-N 3.41Å; M188-G250 VanDerWaalsContact SD-N 3.41Å; V246-G250 WeakPolarHBondContact O-CA 3.36Å; V246-G250 PolarHBondContact O-N 3.29Å; G250-S253 PolarHBondContact O-N 3.47Å; G250-F254 WeakPolarHBondContact O-CB 3.44Å; G250-F254 PolarHBondContact O-N 3.32Å |
| 251 | F | 93.9 | Very high | 91 | Very high | 149 Ų | 149 | 78.1 Ų | 78.1 | 65% | 0.654 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65 | -43.6 | 177.4 | -173.5 | -97.7 | 0 | 0 | 0 | 112.8 | T247 V248 V249 F254 A255 | T247-F251 VanDerWaalsContact O-CB 3.22Å; T247-F251 WeakPolarHBondContact O-CB 3.3Å; T247-F251 PolarHBondContact O-N 2.88Å; V248-F251 PolarHBondContact O-N 3.04Å; V249-F251 VanDerWaalsContact C-N 3.34Å; F251-F254 PolarHBondContact O-N 3.16Å; F251-A255 WeakPolarHBondContact O-CB 3.27Å; F251-A255 PolarHBondContact O-N 3.05Å |
| 252 | I | 94.1 | Very high | 90.9 | Very high | 98 Ų | 98 | 76.8 Ų | 76.8 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 175.3 | -67.1 | 164.9 | 0 | 0 | 0 | 110.2 | V248 V249 F254 A255 V256 | V248-I252 HydrophobicContact CG1-CD1 3.86Å; V248-I252 VanDerWaalsContact O-CG1 3.27Å; V248-I252 WeakPolarHBondContact O-CG1 3.08Å; V248-I252 PolarHBondContact O-N 2.9Å; V249-I252 PolarHBondContact O-N 3.21Å; I252-F254 VanDerWaalsContact C-N 3.31Å; I252-F254 PolarHBondContact O-N 3.21Å; I252-A255 PolarHBondContact O-N 3.17Å; I252-V256 VanDerWaalsContact O-CG2 3.3Å; I252-V256 WeakPolarHBondContact O-CG2 3.49Å; I252-V256 PolarHBondContact O-N 3.28Å |
| 253 | S | 94.5 | Very high | 90.7 | Very high | 14 Ų | 14 | 78.2 Ų | 78.2 | 10% | 0.098 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 178.7 | -56.7 | 0 | 0 | 0 | 0 | 111 | V249 G250 V256 C257 | V249-S253 VanDerWaalsContact O-CB 3.27Å; V249-S253 WeakPolarHBondContact O-CB 3.32Å; V249-S253 PolarHBondContact O-N 3.33Å; V249-S253 PolarHBondContact O-OG 3.11Å; G250-S253 PolarHBondContact O-N 3.47Å; S253-V256 PolarHBondContact O-N 2.92Å; S253-C257 WeakPolarHBondContact O-CB 3.39Å; S253-C257 PolarHBondContact O-N 2.92Å; S253-C257 PolarHBondContact O-SG 3.36Å |
| 254 | F | 93.3 | Very high | 90.3 | Very high | 80 Ų | 80 | 79.5 Ų | 79.5 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 174.4 | -179.5 | -103.1 | 0 | 0 | 0 | 112 | M184 G250 F251 I252 V256 C257 Y258 | M184-F254 HydrophobicContact CE-CD2 4.32Å; M184-F254 HydrophobicContact CG-CB 4.04Å; M184-F254 HydrophobicContact CG-CD2 4.42Å; M184-F254 HydrophobicContact SD-CB 3.77Å; M184-F254 HydrophobicContact SD-CD2 3.76Å; M184-F254 HydrophobicContact SD-CG 4.18Å; G250-F254 WeakPolarHBondContact O-CB 3.44Å; G250-F254 PolarHBondContact O-N 3.32Å; F251-F254 PolarHBondContact O-N 3.16Å; I252-F254 VanDerWaalsContact C-N 3.31Å; I252-F254 PolarHBondContact O-N 3.21Å; F254-V256 VanDerWaalsContact C-N 3.29Å; F254-V256 PolarHBondContact O-N 3.43Å; F254-C257 PolarHBondContact O-N 2.81Å; F254-Y258 HydrophobicContact CZ-CD2 4.41Å; F254-Y258 VanDerWaalsContact O-CB 3.27Å; F254-Y258 WeakPolarHBondContact O-CB 2.89Å; F254-Y258 PolarHBondContact O-N 3.31Å |
| 255 | A | 93 | Very high | 90.1 | Very high | 47 Ų | 47 | 83.3 Ų | 83.3 | 39% | 0.388 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F251 I252 R259 | F251-A255 WeakPolarHBondContact O-CB 3.27Å; F251-A255 PolarHBondContact O-N 3.05Å; I252-A255 PolarHBondContact O-N 3.17Å; A255-R259 WeakPolarHBondContact O-CB 3.49Å; A255-R259 PolarHBondContact O-N 3.27Å |
| 256 | V | 92.9 | Very high | 90 | Very high | 70 Ų | 70 | 88.2 Ų | 88.2 | 42% | 0.424 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.1 | -50.9 | 175 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | I252 S253 F254 Y258 R259 Y260 | I252-V256 VanDerWaalsContact O-CG2 3.3Å; I252-V256 WeakPolarHBondContact O-CG2 3.49Å; I252-V256 PolarHBondContact O-N 3.28Å; S253-V256 PolarHBondContact O-N 2.92Å; F254-V256 VanDerWaalsContact C-N 3.29Å; F254-V256 PolarHBondContact O-N 3.43Å; V256-Y258 VanDerWaalsContact C-N 3.29Å; V256-Y258 PolarHBondContact O-N 3.48Å; V256-R259 PolarHBondContact O-N 2.92Å; V256-R259 VanDerWaalsContact O-N 3.16Å; V256-Y260 HydrophobicContact CG1-CD2 3.78Å; V256-Y260 HydrophobicContact CG1-CE2 3.54Å; V256-Y260 WeakPolarHBondContact O-CD2 3.37Å; V256-Y260 PolarHBondContact O-N 2.93Å; V256-Y260 VanDerWaalsContact O-N 3.12Å |
| 257 | C | 90.9 | Very high | 89.9 | Confident | 19 Ų | 19 | 92.2 Ų | 92.2 | 13% | 0.128 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61.1 | -36.4 | 177.5 | -69.2 | 0 | 0 | 0 | 0 | 112.8 | Y180 S253 F254 Y260 G261 | Y180-C257 HydrophobicContact CD1-CB 4.13Å; S253-C257 WeakPolarHBondContact O-CB 3.39Å; S253-C257 PolarHBondContact O-N 2.92Å; S253-C257 PolarHBondContact O-SG 3.36Å; F254-C257 PolarHBondContact O-N 2.81Å; C257-Y260 PolarHBondContact O-N 3.48Å; C257-G261 PolarHBondContact O-N 3.5Å; C257-G261 VanDerWaalsContact O-N 3.12Å |
| 258 | Y | 91.4 | Very high | 89.7 | Confident | 158 Ų | 158 | 89.3 Ų | 89.3 | 62% | 0.62 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.3 | -39.1 | 175.9 | -171.9 | -96.5 | 0 | 0 | 0 | 111.9 | F254 V256 G261 | F254-Y258 HydrophobicContact CZ-CD2 4.41Å; F254-Y258 VanDerWaalsContact O-CB 3.27Å; F254-Y258 WeakPolarHBondContact O-CB 2.89Å; F254-Y258 PolarHBondContact O-N 3.31Å; V256-Y258 VanDerWaalsContact C-N 3.29Å; V256-Y258 PolarHBondContact O-N 3.48Å; Y258-G261 PolarHBondContact O-N 2.94Å |
| 259 | R | 92.4 | Very high | 89.5 | Confident | 224 Ų | 224 | 86.3 Ų | 86.3 | 85% | 0.845 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -67.2 | -38.5 | 176.8 | -174.8 | 179.1 | 179.4 | 111.5 | 1 | 112.9 | A255 V256 G261 | A255-R259 WeakPolarHBondContact O-CB 3.49Å; A255-R259 PolarHBondContact O-N 3.27Å; V256-R259 PolarHBondContact O-N 2.92Å; V256-R259 VanDerWaalsContact O-N 3.16Å; R259-G261 VanDerWaalsContact C-N 3.33Å |
| 260 | Y | 87.3 | Confident | 89.3 | Confident | 191 Ų | 191 | 89.3 Ų | 89.3 | 75% | 0.749 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -72.3 | -28.5 | 177.3 | -77.2 | -71.7 | 0 | 0 | 0 | 112.6 | V256 C257 | V256-Y260 HydrophobicContact CG1-CD2 3.78Å; V256-Y260 HydrophobicContact CG1-CE2 3.54Å; V256-Y260 WeakPolarHBondContact O-CD2 3.37Å; V256-Y260 PolarHBondContact O-N 2.93Å; V256-Y260 VanDerWaalsContact O-N 3.12Å; C257-Y260 PolarHBondContact O-N 3.48Å |
| 261 | G | 84.6 | Confident | 89.2 | Confident | 19 Ų | 19 | 93 Ų | 93 | 20% | 0.196 | 46% | 0.455 | C | S | . | . | trans | 77.8 | 162.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F179 C257 Y258 R259 | F179-G261 WeakPolarHBondContact CE1-O 3.26Å; F179-G261 VanDerWaalsContact CZ-O 3.27Å; F179-G261 WeakPolarHBondContact CZ-O 3.29Å; C257-G261 PolarHBondContact O-N 3.5Å; C257-G261 VanDerWaalsContact O-N 3.12Å; Y258-G261 PolarHBondContact O-N 2.94Å; R259-G261 VanDerWaalsContact C-N 3.33Å | ||
| 262 | P | 84.6 | Confident | 89 | Confident | 40 Ų | 40 | 87.9 Ų | 87.9 | 26% | 0.26 | 43% | 0.434 | S | S | . | . | trans | -70.3 | 157.9 | 178.6 | 30.9 | -33.1 | 0 | 0 | 0 | 111.3 | Q176 F179 V264 | Q176-P262 HydrophobicContact CG-CB 4.35Å; F179-P262 HydrophobicContact CD1-CB 4.29Å; P262-V264 PolarHBondContact O-N 2.95Å | ||
| 263 | L | 79 | Confident | 88.8 | Confident | 57 Ų | 57 | 83.5 Ų | 83.5 | 30% | 0.298 | 41% | 0.412 | S | S | . | . | trans | -62.9 | 116.8 | 177.6 | -61.5 | 120.6 | 0 | 0 | 0 | 110.4 | F179 S268 I269 L272 | F179-L263 HydrophobicContact CD2-CD1 3.23Å; F179-L263 HydrophobicContact CD2-CG 4.08Å; F179-L263 HydrophobicContact CE2-CD1 3.46Å; F179-L263 VanDerWaalsContact CE2-CD1 3.46Å; F179-L263 HydrophobicContact CE2-CG 3.85Å; F179-L263 HydrophobicContact CG-CD1 4.22Å; L263-S268 VanDerWaalsContact CD2-OG 3.28Å; L263-S268 WeakPolarHBondContact CD2-OG 3.34Å; L263-I269 HydrophobicContact CB-CG1 4.11Å; L263-L272 HydrophobicContact CD1-CD2 3.71Å | ||
| 264 | V | 81.4 | Confident | 88.7 | Confident | 123 Ų | 123 | 91 Ų | 91 | 75% | 0.745 | 44% | 0.439 | S | S | * | . | trans | -97.6 | -33.6 | 177 | -176 | 0 | 0 | 0 | 0 | 111.3 | P262 E266 | P262-V264 PolarHBondContact O-N 2.95Å; V264-E266 PolarHBondContact O-N 3.23Å | ||
| 265 | D | 85.6 | Confident | 88.7 | Confident | 115 Ų | 115 | 90.6 Ų | 90.6 | 62% | 0.615 | 44% | 0.443 | S | S | * | . | trans | -72.2 | 125.5 | -175.4 | -59.5 | -37.6 | 0 | 0 | 0 | 111.5 | K267 S268 I269 | D265-K267 PolarHBondContact O-N 3.26Å; D265-K267 VanDerWaalsContact O-N 3.16Å; D265-S268 WeakPolarHBondContact O-CB 3.4Å; D265-S268 PolarHBondContact O-N 3.16Å; D265-S268 PolarHBondContact O-OG 3.41Å; D265-I269 PolarHBondContact O-N 3.2Å; D265-I269 VanDerWaalsContact O-N 3.08Å | ||
| 266 | E | 88.1 | Confident | 88.6 | Confident | 158 Ų | 158 | 89.2 Ų | 89.2 | 74% | 0.738 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -55.1 | -36.8 | 177 | -68.9 | -172.5 | 162.1 | 0 | 0 | 112.7 | V264 S268 I269 N270 | V264-E266 PolarHBondContact O-N 3.23Å; E266-S268 VanDerWaalsContact C-N 3.3Å; E266-S268 PolarHBondContact O-N 3.1Å; E266-I269 PolarHBondContact O-N 3.18Å; E266-N270 WeakPolarHBondContact O-CB 3.43Å; E266-N270 PolarHBondContact O-N 3.27Å |
| 267 | K | 89.1 | Confident | 88.6 | Confident | 164 Ų | 164 | 86.8 Ų | 86.8 | 71% | 0.713 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -59.5 | -42 | 175.9 | -175.6 | 178.8 | 179 | -178.8 | 0 | 111.6 | D265 N270 I271 | D265-K267 PolarHBondContact O-N 3.26Å; D265-K267 VanDerWaalsContact O-N 3.16Å; K267-N270 PolarHBondContact O-N 2.91Å; K267-I271 HydrophobicContact CG-CD1 4.13Å; K267-I271 VanDerWaalsContact O-CG1 3.26Å; K267-I271 WeakPolarHBondContact O-CG1 3.24Å; K267-I271 PolarHBondContact O-N 3.4Å |
| 268 | S | 87 | Confident | 88.7 | Confident | 26 Ų | 26 | 91.8 Ų | 91.8 | 18% | 0.182 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -72.5 | -38 | -178.8 | 73.9 | 0 | 0 | 0 | 0 | 112 | L263 D265 E266 N270 I271 L272 | L263-S268 VanDerWaalsContact CD2-OG 3.28Å; L263-S268 WeakPolarHBondContact CD2-OG 3.34Å; D265-S268 WeakPolarHBondContact O-CB 3.4Å; D265-S268 PolarHBondContact O-N 3.16Å; D265-S268 PolarHBondContact O-OG 3.41Å; E266-S268 VanDerWaalsContact C-N 3.3Å; E266-S268 PolarHBondContact O-N 3.1Å; S268-N270 VanDerWaalsContact C-N 3.34Å; S268-I271 PolarHBondContact O-N 2.79Å; S268-L272 WeakPolarHBondContact O-CB 3.38Å; S268-L272 PolarHBondContact O-N 3.43Å |
| 269 | I | 88.6 | Confident | 88.8 | Confident | 25 Ų | 25 | 89.2 Ų | 89.2 | 13% | 0.128 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 173 | -64.2 | 171.1 | 0 | 0 | 0 | 110.6 | R174 L263 D265 E266 L272 S273 | R174-I269 HydrophobicContact CG-CG2 3.79Å; L263-I269 HydrophobicContact CB-CG1 4.11Å; D265-I269 PolarHBondContact O-N 3.2Å; D265-I269 VanDerWaalsContact O-N 3.08Å; E266-I269 PolarHBondContact O-N 3.18Å; I269-L272 PolarHBondContact O-N 3.43Å; I269-S273 WeakPolarHBondContact O-CB 3.45Å; I269-S273 PolarHBondContact O-N 3.31Å |
| 270 | N | 89.8 | Confident | 88.8 | Confident | 84 Ų | 84 | 78.6 Ų | 78.6 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.8 | -50.6 | 175.7 | -78.2 | -7.9 | 0 | 0 | 0 | 110.6 | E266 K267 S268 L272 S273 W274 | E266-N270 WeakPolarHBondContact O-CB 3.43Å; E266-N270 PolarHBondContact O-N 3.27Å; K267-N270 PolarHBondContact O-N 2.91Å; S268-N270 VanDerWaalsContact C-N 3.34Å; N270-L272 VanDerWaalsContact C-N 3.25Å; N270-L272 PolarHBondContact O-N 3.26Å; N270-S273 WeakPolarHBondContact O-CA 3.33Å; N270-S273 WeakPolarHBondContact O-CB 3.28Å; N270-S273 PolarHBondContact O-N 3.15Å; N270-W274 PolarHBondContact O-N 3.41Å |
| 271 | I | 90.9 | Very high | 89 | Confident | 93 Ų | 93 | 70.7 Ų | 70.7 | 48% | 0.477 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -53.9 | -44.8 | 177 | -68.9 | 163.8 | 0 | 0 | 0 | 110.9 | K267 S268 W274 T275 | K267-I271 HydrophobicContact CG-CD1 4.13Å; K267-I271 VanDerWaalsContact O-CG1 3.26Å; K267-I271 WeakPolarHBondContact O-CG1 3.24Å; K267-I271 PolarHBondContact O-N 3.4Å; S268-I271 PolarHBondContact O-N 2.79Å; I271-W274 PolarHBondContact O-N 2.7Å; I271-T275 HydrophobicContact CG2-CG2 4.44Å; I271-T275 WeakPolarHBondContact O-CG2 3.33Å; I271-T275 PolarHBondContact O-N 2.89Å; I271-T275 PolarHBondContact O-OG1 3.49Å |
| 272 | L | 90.1 | Very high | 89.3 | Confident | 41 Ų | 41 | 73.8 Ų | 73.8 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 176.8 | -176.9 | 63.4 | 0 | 0 | 0 | 112.5 | L263 S268 I269 N270 T275 L276 | L263-L272 HydrophobicContact CD1-CD2 3.71Å; S268-L272 WeakPolarHBondContact O-CB 3.38Å; S268-L272 PolarHBondContact O-N 3.43Å; I269-L272 PolarHBondContact O-N 3.43Å; N270-L272 VanDerWaalsContact C-N 3.25Å; N270-L272 PolarHBondContact O-N 3.26Å; L272-T275 WeakPolarHBondContact CA-OG1 3.48Å; L272-T275 PolarHBondContact O-N 2.97Å; L272-T275 PolarHBondContact O-OG1 3.19Å; L272-L276 HydrophobicContact CD1-CD1 4.44Å; L272-L276 HydrophobicContact CD1-CG 4.41Å; L272-L276 HydrophobicContact CG-CD1 4.12Å; L272-L276 WeakPolarHBondContact O-CB 3.42Å; L272-L276 VanDerWaalsContact O-CG 3.24Å; L272-L276 WeakPolarHBondContact O-CG 3.43Å; L272-L276 PolarHBondContact O-N 2.9Å |
| 273 | S | 91.1 | Very high | 89.5 | Confident | 6 Ų | 6 | 73.4 Ų | 73.4 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.8 | -47.8 | 173.6 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | E170 I269 N270 T275 L276 Q277 | E170-S273 VanDerWaalsContact CG-OG 3.26Å; E170-S273 WeakPolarHBondContact CG-OG 3.45Å; I269-S273 WeakPolarHBondContact O-CB 3.45Å; I269-S273 PolarHBondContact O-N 3.31Å; N270-S273 WeakPolarHBondContact O-CA 3.33Å; N270-S273 WeakPolarHBondContact O-CB 3.28Å; N270-S273 PolarHBondContact O-N 3.15Å; S273-T275 PolarHBondContact O-N 3.4Å; S273-L276 PolarHBondContact O-N 3.29Å; S273-Q277 WeakPolarHBondContact O-CB 3.41Å; S273-Q277 WeakPolarHBondContact O-CG 3.19Å; S273-Q277 PolarHBondContact O-N 2.94Å; S273-Q277 PolarHBondContact OG-NE2 3.27Å; S273-Q277 VanDerWaalsContact OG-NE2 3.11Å |
| 274 | W | 92 | Very high | 90 | Very high | 172 Ų | 172 | 70.8 Ų | 70.8 | 65% | 0.652 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.9 | -40.7 | 177.9 | -72.6 | 101.2 | 0 | 0 | 0 | 112.3 | N270 I271 Q277 L278 | N270-W274 PolarHBondContact O-N 3.41Å; I271-W274 PolarHBondContact O-N 2.7Å; W274-Q277 PolarHBondContact O-N 3.28Å; W274-L278 WeakPolarHBondContact O-CB 3.45Å; W274-L278 PolarHBondContact O-N 3.46Å |
| 275 | T | 93.1 | Very high | 90.3 | Very high | 70 Ų | 70 | 68.8 Ų | 68.8 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.4 | -40.3 | 177.8 | 57.4 | 0 | 0 | 0 | 0 | 111.9 | I271 L272 S273 L278 F279 | I271-T275 HydrophobicContact CG2-CG2 4.44Å; I271-T275 WeakPolarHBondContact O-CG2 3.33Å; I271-T275 PolarHBondContact O-N 2.89Å; I271-T275 PolarHBondContact O-OG1 3.49Å; L272-T275 WeakPolarHBondContact CA-OG1 3.48Å; L272-T275 PolarHBondContact O-N 2.97Å; L272-T275 PolarHBondContact O-OG1 3.19Å; S273-T275 PolarHBondContact O-N 3.4Å; T275-L278 PolarHBondContact O-N 3.33Å; T275-F279 WeakPolarHBondContact O-CB 3.44Å; T275-F279 PolarHBondContact O-N 3.29Å |
| 276 | L | 91.7 | Very high | 90.2 | Very high | 18 Ų | 18 | 68.1 Ų | 68.1 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62 | -46.6 | 172.6 | -72.9 | 170.8 | 0 | 0 | 0 | 110.8 | L165 A169 L172 F178 L272 S273 L278 F279 G280 | L165-L276 VanDerWaalsContact CD2-C 3.5Å; L165-L276 HydrophobicContact CD2-CB 3.82Å; L165-L276 HydrophobicContact CD2-CD2 4.09Å; L165-L276 WeakPolarHBondContact CD2-O 3.45Å; A169-L276 HydrophobicContact CB-CB 3.94Å; L172-L276 HydrophobicContact CB-CD1 4.36Å; F178-L276 HydrophobicContact CE1-CD1 3.77Å; F178-L276 HydrophobicContact CE1-CD2 4.07Å; F178-L276 HydrophobicContact CE1-CG 4.48Å; F178-L276 HydrophobicContact CZ-CD1 4.12Å; F178-L276 HydrophobicContact CZ-CD2 3.69Å; L272-L276 HydrophobicContact CD1-CD1 4.44Å; L272-L276 HydrophobicContact CD1-CG 4.41Å; L272-L276 HydrophobicContact CG-CD1 4.12Å; L272-L276 WeakPolarHBondContact O-CB 3.42Å; L272-L276 VanDerWaalsContact O-CG 3.24Å; L272-L276 WeakPolarHBondContact O-CG 3.43Å; L272-L276 PolarHBondContact O-N 2.9Å; S273-L276 PolarHBondContact O-N 3.29Å; L276-L278 PolarHBondContact O-N 3.49Å; L276-F279 CarbonylContact O-C 3.6Å; L276-F279 PolarHBondContact O-N 3.16Å; L276-G280 PolarHBondContact O-N 2.95Å |
| 277 | Q | 92.6 | Very high | 89.9 | Confident | 20 Ų | 20 | 60.6 Ų | 60.6 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 176.9 | -71.7 | 173.7 | 17.9 | 0 | 0 | 111.8 | F166 A169 E170 S273 W274 F279 G280 L281 | F166-Q277 HydrophobicContact CD2-CB 4.01Å; F166-Q277 HydrophobicContact CD2-CG 4.2Å; F166-Q277 HydrophobicContact CE2-CB 4.1Å; F166-Q277 HydrophobicContact CE2-CG 4.29Å; A169-Q277 HydrophobicContact CB-CG 3.52Å; E170-Q277 PolarHBondContact OE1-NE2 2.92Å; S273-Q277 WeakPolarHBondContact O-CB 3.41Å; S273-Q277 WeakPolarHBondContact O-CG 3.19Å; S273-Q277 PolarHBondContact O-N 2.94Å; S273-Q277 PolarHBondContact OG-NE2 3.27Å; S273-Q277 VanDerWaalsContact OG-NE2 3.11Å; W274-Q277 PolarHBondContact O-N 3.28Å; Q277-F279 VanDerWaalsContact C-N 3.29Å; Q277-F279 PolarHBondContact O-N 3.31Å; Q277-G280 PolarHBondContact O-N 3.4Å; Q277-L281 WeakPolarHBondContact O-CG 3.35Å; Q277-L281 PolarHBondContact O-N 2.96Å |
| 278 | L | 93.3 | Very high | 89.5 | Confident | 123 Ų | 123 | 53.2 Ų | 53.2 | 64% | 0.644 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.4 | -42.4 | 176.4 | -178 | 65.8 | 0 | 0 | 0 | 111.4 | W274 T275 L276 L281 L282 | W274-L278 WeakPolarHBondContact O-CB 3.45Å; W274-L278 PolarHBondContact O-N 3.46Å; T275-L278 PolarHBondContact O-N 3.33Å; L276-L278 PolarHBondContact O-N 3.49Å; L278-L281 PolarHBondContact O-N 3.03Å; L278-L282 PolarHBondContact O-N 3.01Å |
| 279 | F | 92.4 | Very high | 88.8 | Confident | 105 Ų | 105 | 54.1 Ų | 54.1 | 46% | 0.461 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 176.8 | -171.2 | -107.5 | 0 | 0 | 0 | 112.2 | L165 T275 L276 Q277 L282 L283 | L165-F279 HydrophobicContact CD1-CD1 3.81Å; L165-F279 HydrophobicContact CD1-CE1 4.26Å; T275-F279 WeakPolarHBondContact O-CB 3.44Å; T275-F279 PolarHBondContact O-N 3.29Å; L276-F279 CarbonylContact O-C 3.6Å; L276-F279 PolarHBondContact O-N 3.16Å; Q277-F279 VanDerWaalsContact C-N 3.29Å; Q277-F279 PolarHBondContact O-N 3.31Å; F279-L282 HydrophobicContact CD2-CD2 4.45Å; F279-L282 WeakPolarHBondContact O-CB 3.21Å; F279-L282 PolarHBondContact O-N 2.89Å; F279-L283 HydrophobicContact CD1-CD1 3.98Å; F279-L283 HydrophobicContact CD1-CG 4.35Å; F279-L283 HydrophobicContact CE1-CD1 3.63Å; F279-L283 HydrophobicContact CE1-CD2 4.43Å; F279-L283 HydrophobicContact CE1-CG 4.05Å; F279-L283 HydrophobicContact CZ-CD1 4.29Å; F279-L283 HydrophobicContact CZ-CD2 4.27Å; F279-L283 HydrophobicContact CZ-CG 4.3Å; F279-L283 WeakPolarHBondContact O-CG 3.36Å; F279-L283 PolarHBondContact O-N 2.84Å |
| 280 | G | 92.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.9 | -44 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L276 Q277 L282 L283 I284 | L276-G280 PolarHBondContact O-N 2.95Å; Q277-G280 PolarHBondContact O-N 3.4Å; G280-L282 VanDerWaalsContact C-N 3.34Å; G280-L282 PolarHBondContact O-N 2.91Å; G280-L283 PolarHBondContact O-N 3.41Å; G280-I284 VanDerWaalsContact O-CG1 3.32Å; G280-I284 WeakPolarHBondContact O-CG1 3.45Å; G280-I284 PolarHBondContact O-N 3.31Å |
| 281 | L | 92.2 | Very high | 87.5 | Confident | 25 Ų | 25 | 54.9 Ų | 54.9 | 13% | 0.131 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 174.6 | -67.1 | 176.4 | 0 | 0 | 0 | 112.1 | F166 Q277 L278 I284 Y285 I298 L302 | F166-L281 HydrophobicContact CD2-CD2 3.81Å; F166-L281 HydrophobicContact CD2-CG 3.84Å; F166-L281 HydrophobicContact CE2-CD1 4.13Å; F166-L281 HydrophobicContact CE2-CD2 3.78Å; F166-L281 HydrophobicContact CE2-CG 3.9Å; F166-L281 HydrophobicContact CZ-CD2 4.45Å; Q277-L281 WeakPolarHBondContact O-CG 3.35Å; Q277-L281 PolarHBondContact O-N 2.96Å; L278-L281 PolarHBondContact O-N 3.03Å; L281-I284 HydrophobicContact CD2-CD1 4.43Å; L281-I284 PolarHBondContact O-N 2.9Å; L281-Y285 PolarHBondContact O-N 3.43Å; L281-I298 HydrophobicContact CD2-CB 4.46Å; L281-I298 HydrophobicContact CD2-CG1 4.23Å; L281-I298 HydrophobicContact CD2-CG2 4.14Å; L281-L302 HydrophobicContact CD1-CD2 4.05Å; L281-L302 HydrophobicContact CD1-CG 4.46Å |
| 282 | L | 91.1 | Very high | 87 | Confident | 85 Ų | 85 | 57.2 Ų | 57.2 | 45% | 0.445 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 174.3 | -178.7 | 66.7 | 0 | 0 | 0 | 111.5 | L278 F279 G280 Y285 L286 | L278-L282 PolarHBondContact O-N 3.01Å; F279-L282 HydrophobicContact CD2-CD2 4.45Å; F279-L282 WeakPolarHBondContact O-CB 3.21Å; F279-L282 PolarHBondContact O-N 2.89Å; G280-L282 VanDerWaalsContact C-N 3.34Å; G280-L282 PolarHBondContact O-N 2.91Å; L282-Y285 WeakPolarHBondContact O-CB 3.02Å; L282-Y285 PolarHBondContact O-N 3.44Å; L282-L286 HydrophobicContact CG-CD1 4.2Å; L282-L286 WeakPolarHBondContact O-CG 3.35Å; L282-L286 PolarHBondContact O-N 2.92Å |
| 283 | L | 88 | Confident | 86.6 | Confident | 31 Ų | 31 | 57.6 Ų | 57.6 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 175.7 | -71.3 | 178.2 | 0 | 0 | 0 | 112.1 | V158 L165 F279 G280 Y285 L286 G287 | V158-L283 HydrophobicContact CG1-CB 4.48Å; V158-L283 HydrophobicContact CG1-CD2 4.26Å; L165-L283 HydrophobicContact CD1-CD1 4.37Å; F279-L283 HydrophobicContact CD1-CD1 3.98Å; F279-L283 HydrophobicContact CD1-CG 4.35Å; F279-L283 HydrophobicContact CE1-CD1 3.63Å; F279-L283 HydrophobicContact CE1-CD2 4.43Å; F279-L283 HydrophobicContact CE1-CG 4.05Å; F279-L283 HydrophobicContact CZ-CD1 4.29Å; F279-L283 HydrophobicContact CZ-CD2 4.27Å; F279-L283 HydrophobicContact CZ-CG 4.3Å; F279-L283 WeakPolarHBondContact O-CG 3.36Å; F279-L283 PolarHBondContact O-N 2.84Å; G280-L283 PolarHBondContact O-N 3.41Å; L283-Y285 VanDerWaalsContact C-N 3.32Å; L283-Y285 PolarHBondContact O-N 3.32Å; L283-L286 PolarHBondContact O-N 2.95Å; L283-G287 PolarHBondContact O-N 3.41Å |
| 284 | I | 89.6 | Confident | 86.2 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 173.2 | -71.7 | 165.5 | 0 | 0 | 0 | 110.5 | F159 G280 L281 L286 G287 I288 I297 I298 | F159-I284 HydrophobicContact CD2-CB 4.45Å; F159-I284 HydrophobicContact CD2-CG1 4.3Å; F159-I284 HydrophobicContact CD2-CG2 4.07Å; F159-I284 HydrophobicContact CE2-CG1 4.38Å; F159-I284 HydrophobicContact CE2-CG2 3.98Å; G280-I284 VanDerWaalsContact O-CG1 3.32Å; G280-I284 WeakPolarHBondContact O-CG1 3.45Å; G280-I284 PolarHBondContact O-N 3.31Å; L281-I284 HydrophobicContact CD2-CD1 4.43Å; L281-I284 PolarHBondContact O-N 2.9Å; I284-L286 PolarHBondContact O-N 2.88Å; I284-G287 PolarHBondContact O-N 3.08Å; I284-I288 HydrophobicContact CG2-CD1 3.87Å; I284-I288 WeakPolarHBondContact O-CG1 3.47Å; I284-I288 PolarHBondContact O-N 3.36Å; I284-I297 HydrophobicContact CG2-CG2 4.08Å; I284-I298 HydrophobicContact CG2-CG1 4.22Å |
| 285 | Y | 87.7 | Confident | 85.9 | Confident | 81 Ų | 81 | 54.9 Ų | 54.9 | 32% | 0.318 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 176.9 | -179.1 | -99.7 | 0 | 0 | 0 | 112.2 | L281 L282 L283 A294 F295 I298 | L281-Y285 PolarHBondContact O-N 3.43Å; L282-Y285 WeakPolarHBondContact O-CB 3.02Å; L282-Y285 PolarHBondContact O-N 3.44Å; L283-Y285 VanDerWaalsContact C-N 3.32Å; L283-Y285 PolarHBondContact O-N 3.32Å; Y285-A294 HydrophobicContact CD2-CB 4.08Å; Y285-F295 HydrophobicContact CE2-CE2 4.36Å; Y285-F295 HydrophobicContact CE2-CZ 4.06Å; Y285-I298 HydrophobicContact CD2-CD1 4.34Å |
| 286 | L | 84.1 | Confident | 85.7 | Confident | 102 Ų | 102 | 54.3 Ų | 54.3 | 53% | 0.534 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -73.3 | -28.6 | 178.7 | -65.1 | 173.7 | 0 | 0 | 0 | 113.2 | L282 L283 I284 I288 | L282-L286 HydrophobicContact CG-CD1 4.2Å; L282-L286 WeakPolarHBondContact O-CG 3.35Å; L282-L286 PolarHBondContact O-N 2.92Å; L283-L286 PolarHBondContact O-N 2.95Å; I284-L286 PolarHBondContact O-N 2.88Å; L286-I288 VanDerWaalsContact C-N 3.32Å |
| 287 | G | 81.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -78.1 | -13.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L283 I284 | L283-G287 PolarHBondContact O-N 3.41Å; I284-G287 PolarHBondContact O-N 3.08Å |
| 288 | I | 80.8 | Confident | 85.2 | Confident | 8 Ų | 8 | 56.1 Ų | 56.1 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | trans | -111.3 | 120.4 | 179.9 | -62.8 | 164.7 | 0 | 0 | 0 | 109.3 | T72 F159 I284 L286 I290 V293 A294 I297 | T72-I288 HydrophobicContact CG2-CG2 4.02Å; F159-I288 HydrophobicContact CD2-CD1 3.73Å; F159-I288 HydrophobicContact CD2-CG1 3.77Å; F159-I288 HydrophobicContact CE2-CD1 3.78Å; F159-I288 HydrophobicContact CE2-CG1 4.28Å; F159-I288 HydrophobicContact CG-CG1 4.5Å; I284-I288 HydrophobicContact CG2-CD1 3.87Å; I284-I288 WeakPolarHBondContact O-CG1 3.47Å; I284-I288 PolarHBondContact O-N 3.36Å; L286-I288 VanDerWaalsContact C-N 3.32Å; I288-I290 HydrophobicContact CG2-CB 4.1Å; I288-I290 VanDerWaalsContact CG2-O 3.27Å; I288-I290 WeakPolarHBondContact CG2-O 3.43Å; I288-I290 PolarHBondContact O-N 2.92Å; I288-V293 HydrophobicContact CG2-CB 4.38Å; I288-V293 HydrophobicContact CG2-CG1 4.43Å; I288-A294 HydrophobicContact CB-CB 3.97Å; I288-A294 HydrophobicContact CD1-CB 4.11Å; I288-A294 HydrophobicContact CG2-CB 3.99Å; I288-I297 HydrophobicContact CD1-CD1 3.7Å | ||
| 289 | Q | 72.5 | Confident | 84.9 | Confident | 45 Ų | 45 | 55.2 Ų | 55.2 | 21% | 0.21 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -70.9 | -21.3 | 178.3 | -166.4 | 169.9 | -5.8 | 0 | 0 | 112.6 | T74 I124 L126 | T74-Q289 PolarHBondContact O-OE1 3.47Å; I124-Q289 PolarHBondContact O-NE2 3.16Å; L126-Q289 HydrophobicContact CD1-CB 4.44Å; L126-Q289 HydrophobicContact CD1-CG 3.91Å; L126-Q289 VanDerWaalsContact CD1-NE2 3.32Å |
| 290 | I | 72.4 | Confident | 84.6 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | trans | -95.2 | 106.2 | -177.3 | -53.4 | 175.9 | 0 | 0 | 0 | 110.8 | T72 F127 I288 Q292 V293 A294 | T72-I290 HydrophobicContact CG2-CD1 4.27Å; F127-I290 HydrophobicContact CD2-CG1 4.27Å; F127-I290 HydrophobicContact CD2-CG2 3.94Å; F127-I290 HydrophobicContact CE2-CB 3.9Å; F127-I290 HydrophobicContact CE2-CD1 3.79Å; F127-I290 HydrophobicContact CE2-CG1 3.63Å; F127-I290 HydrophobicContact CE2-CG2 3.13Å; F127-I290 HydrophobicContact CZ-CD1 4.49Å; F127-I290 HydrophobicContact CZ-CG2 3.6Å; I288-I290 HydrophobicContact CG2-CB 4.1Å; I288-I290 VanDerWaalsContact CG2-O 3.27Å; I288-I290 WeakPolarHBondContact CG2-O 3.43Å; I288-I290 PolarHBondContact O-N 2.92Å; I290-Q292 VanDerWaalsContact C-N 3.35Å; I290-Q292 HydrophobicContact CG2-CB 4.47Å; I290-Q292 PolarHBondContact O-N 2.67Å; I290-V293 HydrophobicContact CB-CB 4.02Å; I290-V293 HydrophobicContact CB-CG2 4.09Å; I290-V293 HydrophobicContact CD1-CG2 4.34Å; I290-V293 HydrophobicContact CG2-CB 3.84Å; I290-V293 HydrophobicContact CG2-CG2 3.54Å; I290-V293 PolarHBondContact O-N 2.96Å; I290-A294 WeakPolarHBondContact O-CB 3.47Å; I290-A294 PolarHBondContact O-N 2.71Å | ||
| 291 | Q | 77.9 | Confident | 84.2 | Confident | 120 Ų | 120 | 53.8 Ų | 53.8 | 56% | 0.561 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -56.6 | -44.1 | -178.1 | -67.7 | 179.6 | -19.8 | 0 | 0 | 113.1 | V293 A294 F295 | Q291-V293 PolarHBondContact O-N 3.26Å; Q291-A294 WeakPolarHBondContact O-CB 3.48Å; Q291-A294 PolarHBondContact O-N 3.31Å; Q291-F295 HydrophobicContact CB-CE2 4.34Å; Q291-F295 WeakPolarHBondContact O-CD2 3.34Å; Q291-F295 PolarHBondContact O-N 2.83Å |
| 292 | Q | 80 | Confident | 83.7 | Confident | 142 Ų | 142 | 56 Ų | 56 | 66% | 0.664 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.2 | -42.5 | -178.6 | -65.4 | -178.7 | -12.5 | 0 | 0 | 112.8 | I290 F295 A296 | I290-Q292 VanDerWaalsContact C-N 3.35Å; I290-Q292 HydrophobicContact CG2-CB 4.47Å; I290-Q292 PolarHBondContact O-N 2.67Å; Q292-F295 PolarHBondContact O-N 3.41Å; Q292-A296 WeakPolarHBondContact O-CB 3.31Å; Q292-A296 PolarHBondContact O-N 3.39Å |
| 293 | V | 81.6 | Confident | 83.2 | Confident | 48 Ų | 48 | 56.2 Ų | 56.2 | 29% | 0.291 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.7 | -39.1 | 177.6 | 175 | 0 | 0 | 0 | 0 | 110.1 | T72 I288 I290 Q291 F295 A296 I297 | T72-V293 HydrophobicContact CG2-CG1 4.09Å; I288-V293 HydrophobicContact CG2-CB 4.38Å; I288-V293 HydrophobicContact CG2-CG1 4.43Å; I290-V293 HydrophobicContact CB-CB 4.02Å; I290-V293 HydrophobicContact CB-CG2 4.09Å; I290-V293 HydrophobicContact CD1-CG2 4.34Å; I290-V293 HydrophobicContact CG2-CB 3.84Å; I290-V293 HydrophobicContact CG2-CG2 3.54Å; I290-V293 PolarHBondContact O-N 2.96Å; Q291-V293 PolarHBondContact O-N 3.26Å; V293-F295 PolarHBondContact O-N 3.38Å; V293-A296 PolarHBondContact O-N 2.95Å; V293-I297 HydrophobicContact CG1-CD1 3.7Å; V293-I297 HydrophobicContact CG1-CG1 4.33Å; V293-I297 WeakPolarHBondContact O-CB 3.27Å; V293-I297 WeakPolarHBondContact O-CG1 3.3Å; V293-I297 PolarHBondContact O-N 3.32Å |
| 294 | A | 83.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.2 | -48.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y285 I288 I290 Q291 A296 I297 I298 | Y285-A294 HydrophobicContact CD2-CB 4.08Å; I288-A294 HydrophobicContact CB-CB 3.97Å; I288-A294 HydrophobicContact CD1-CB 4.11Å; I288-A294 HydrophobicContact CG2-CB 3.99Å; I290-A294 WeakPolarHBondContact O-CB 3.47Å; I290-A294 PolarHBondContact O-N 2.71Å; Q291-A294 WeakPolarHBondContact O-CB 3.48Å; Q291-A294 PolarHBondContact O-N 3.31Å; A294-A296 PolarHBondContact O-N 3.37Å; A294-I297 PolarHBondContact O-N 3.3Å; A294-I298 WeakPolarHBondContact O-CB 3.46Å; A294-I298 WeakPolarHBondContact O-CD1 3.39Å; A294-I298 WeakPolarHBondContact O-CG1 3.35Å; A294-I298 PolarHBondContact O-N 2.91Å |
| 295 | F | 85.8 | Confident | 81.9 | Confident | 121 Ų | 121 | 60.2 Ų | 60.2 | 53% | 0.531 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 176.2 | -73.6 | -61.8 | 0 | 0 | 0 | 112.8 | Y285 Q291 Q292 V293 I297 I298 L299 | Y285-F295 HydrophobicContact CE2-CE2 4.36Å; Y285-F295 HydrophobicContact CE2-CZ 4.06Å; Q291-F295 HydrophobicContact CB-CE2 4.34Å; Q291-F295 WeakPolarHBondContact O-CD2 3.34Å; Q291-F295 PolarHBondContact O-N 2.83Å; Q292-F295 PolarHBondContact O-N 3.41Å; V293-F295 PolarHBondContact O-N 3.38Å; F295-I297 PolarHBondContact O-N 3.23Å; F295-I298 PolarHBondContact O-N 3.44Å; F295-L299 VanDerWaalsContact O-CB 3.3Å; F295-L299 WeakPolarHBondContact O-CB 3.47Å; F295-L299 PolarHBondContact O-N 2.82Å |
| 296 | A | 87.7 | Confident | 81.1 | Confident | 59 Ų | 59 | 62.1 Ų | 62.1 | 49% | 0.488 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q292 V293 A294 L299 A300 | Q292-A296 WeakPolarHBondContact O-CB 3.31Å; Q292-A296 PolarHBondContact O-N 3.39Å; V293-A296 PolarHBondContact O-N 2.95Å; A294-A296 PolarHBondContact O-N 3.37Å; A296-L299 PolarHBondContact O-N 3.4Å; A296-A300 VanDerWaalsContact O-CB 3.27Å; A296-A300 WeakPolarHBondContact O-CB 3.26Å; A296-A300 PolarHBondContact O-N 2.85Å |
| 297 | I | 86 | Confident | 80.1 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 25% | 0.251 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.2 | -40.4 | 177.8 | -68.9 | 171 | 0 | 0 | 0 | 111.2 | F159 I284 I288 V293 A294 F295 A300 S301 | F159-I297 HydrophobicContact CE2-CD1 4.35Å; F159-I297 HydrophobicContact CE2-CG2 4.23Å; I284-I297 HydrophobicContact CG2-CG2 4.08Å; I288-I297 HydrophobicContact CD1-CD1 3.7Å; V293-I297 HydrophobicContact CG1-CD1 3.7Å; V293-I297 HydrophobicContact CG1-CG1 4.33Å; V293-I297 WeakPolarHBondContact O-CB 3.27Å; V293-I297 WeakPolarHBondContact O-CG1 3.3Å; V293-I297 PolarHBondContact O-N 3.32Å; A294-I297 PolarHBondContact O-N 3.3Å; F295-I297 PolarHBondContact O-N 3.23Å; I297-A300 PolarHBondContact O-N 3.47Å; I297-S301 VanDerWaalsContact O-CB 3.31Å; I297-S301 WeakPolarHBondContact O-CB 3.38Å; I297-S301 PolarHBondContact O-N 3.49Å; I297-S301 PolarHBondContact O-OG 3.11Å |
| 298 | I | 88.2 | Confident | 79.3 | Confident | 27 Ų | 27 | 67.7 Ų | 67.7 | 14% | 0.138 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 174.8 | -71.8 | 164.4 | 0 | 0 | 0 | 110.2 | L281 I284 Y285 A294 F295 S301 L302 | L281-I298 HydrophobicContact CD2-CB 4.46Å; L281-I298 HydrophobicContact CD2-CG1 4.23Å; L281-I298 HydrophobicContact CD2-CG2 4.14Å; I284-I298 HydrophobicContact CG2-CG1 4.22Å; Y285-I298 HydrophobicContact CD2-CD1 4.34Å; A294-I298 WeakPolarHBondContact O-CB 3.46Å; A294-I298 WeakPolarHBondContact O-CD1 3.39Å; A294-I298 WeakPolarHBondContact O-CG1 3.35Å; A294-I298 PolarHBondContact O-N 2.91Å; F295-I298 PolarHBondContact O-N 3.44Å; I298-S301 PolarHBondContact O-N 2.99Å; I298-L302 HydrophobicContact CG2-CD1 4.1Å; I298-L302 WeakPolarHBondContact O-CG 3.4Å; I298-L302 PolarHBondContact O-N 3.14Å |
| 299 | L | 87.9 | Confident | 78.4 | Confident | 103 Ų | 103 | 76.2 Ų | 76.2 | 54% | 0.539 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 177.7 | -176.8 | 62.6 | 0 | 0 | 0 | 111.1 | F295 A296 S301 L302 L303 | F295-L299 VanDerWaalsContact O-CB 3.3Å; F295-L299 WeakPolarHBondContact O-CB 3.47Å; F295-L299 PolarHBondContact O-N 2.82Å; A296-L299 PolarHBondContact O-N 3.4Å; L299-S301 VanDerWaalsContact C-N 3.29Å; L299-S301 PolarHBondContact O-N 3.46Å; L299-L302 PolarHBondContact O-N 3.39Å; L299-L303 HydrophobicContact CD1-CD1 4.38Å; L299-L303 HydrophobicContact CD1-CG 4.4Å; L299-L303 HydrophobicContact CG-CD1 3.99Å; L299-L303 HydrophobicContact CG-CG 4.45Å; L299-L303 WeakPolarHBondContact O-CB 3.26Å; L299-L303 WeakPolarHBondContact O-CG 3.21Å; L299-L303 PolarHBondContact O-N 2.88Å |
| 300 | A | 85.9 | Confident | 78.4 | Confident | 54 Ų | 54 | 76.9 Ų | 76.9 | 45% | 0.446 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.1 | -39.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | A296 I297 L303 S304 | A296-A300 VanDerWaalsContact O-CB 3.27Å; A296-A300 WeakPolarHBondContact O-CB 3.26Å; A296-A300 PolarHBondContact O-N 2.85Å; I297-A300 PolarHBondContact O-N 3.47Å; A300-L303 PolarHBondContact O-N 2.86Å; A300-S304 WeakPolarHBondContact O-CB 3.36Å; A300-S304 PolarHBondContact O-N 3.38Å |
| 301 | S | 83.4 | Confident | 78.3 | Confident | 21 Ų | 21 | 79.5 Ų | 79.5 | 15% | 0.147 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 177.6 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | I297 I298 L299 S304 K305 | I297-S301 VanDerWaalsContact O-CB 3.31Å; I297-S301 WeakPolarHBondContact O-CB 3.38Å; I297-S301 PolarHBondContact O-N 3.49Å; I297-S301 PolarHBondContact O-OG 3.11Å; I298-S301 PolarHBondContact O-N 2.99Å; L299-S301 VanDerWaalsContact C-N 3.29Å; L299-S301 PolarHBondContact O-N 3.46Å; S301-S304 PolarHBondContact O-N 2.88Å; S301-S304 PolarHBondContact O-OG 2.97Å; S301-K305 PolarHBondContact O-N 3.46Å |
| 302 | L | 82.7 | Confident | 78.2 | Confident | 72 Ų | 72 | 78.9 Ų | 78.9 | 38% | 0.377 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 175.1 | -71.9 | 172.4 | 0 | 0 | 0 | 112.6 | L281 I298 L299 N306 | L281-L302 HydrophobicContact CD1-CD2 4.05Å; L281-L302 HydrophobicContact CD1-CG 4.46Å; I298-L302 HydrophobicContact CG2-CD1 4.1Å; I298-L302 WeakPolarHBondContact O-CG 3.4Å; I298-L302 PolarHBondContact O-N 3.14Å; L299-L302 PolarHBondContact O-N 3.39Å; L302-N306 PolarHBondContact O-N 2.76Å; L302-N306 PolarHBondContact O-ND2 3.27Å |
| 303 | L | 80.6 | Confident | 78.2 | Confident | 90 Ų | 90 | 76.7 Ų | 76.7 | 47% | 0.471 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64 | -49.3 | 173.9 | -72.1 | 170.1 | 0 | 0 | 0 | 109.6 | L299 A300 K305 N306 L307 | L299-L303 HydrophobicContact CD1-CD1 4.38Å; L299-L303 HydrophobicContact CD1-CG 4.4Å; L299-L303 HydrophobicContact CG-CD1 3.99Å; L299-L303 HydrophobicContact CG-CG 4.45Å; L299-L303 WeakPolarHBondContact O-CB 3.26Å; L299-L303 WeakPolarHBondContact O-CG 3.21Å; L299-L303 PolarHBondContact O-N 2.88Å; A300-L303 PolarHBondContact O-N 2.86Å; L303-K305 VanDerWaalsContact C-N 3.29Å; L303-K305 PolarHBondContact O-N 3.47Å; L303-N306 CarbonylContact O-C 3.58Å; L303-N306 PolarHBondContact O-N 3.04Å; L303-L307 WeakPolarHBondContact O-CA 2.94Å; L303-L307 WeakPolarHBondContact O-CB 3.46Å; L303-L307 PolarHBondContact O-N 3.18Å |
| 304 | S | 77.3 | Confident | 78.2 | Confident | 64 Ų | 64 | 77.3 Ų | 77.3 | 45% | 0.448 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -53.1 | -43.8 | -178 | 69.8 | 0 | 0 | 0 | 0 | 113 | A300 S301 | A300-S304 WeakPolarHBondContact O-CB 3.36Å; A300-S304 PolarHBondContact O-N 3.38Å; S301-S304 PolarHBondContact O-N 2.88Å; S301-S304 PolarHBondContact O-OG 2.97Å |
| 305 | K | 72.6 | Confident | 78 | Confident | 52 Ų | 52 | 81.7 Ų | 81.7 | 23% | 0.226 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -69.4 | -37.4 | 177.2 | -77.9 | -153.2 | 169.7 | -153.2 | 0 | 114.2 | F166 E170 S301 L303 | F166-K305 HydrophobicContact CE1-CD 4Å; F166-K305 HydrophobicContact CE1-CG 3.96Å; F166-K305 HydrophobicContact CZ-CD 3.81Å; F166-K305 HydrophobicContact CZ-CG 4.02Å; E170-K305 IonicContact OE1-NZ 2.75Å; E170-K305 PolarHBondContact OE1-NZ 3.1Å; S301-K305 PolarHBondContact O-N 3.46Å; L303-K305 VanDerWaalsContact C-N 3.29Å; L303-K305 PolarHBondContact O-N 3.47Å |
| 306 | N | 69.8 | Low | 77.8 | Confident | 121 Ų | 121 | 78.8 Ų | 78.8 | 65% | 0.647 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -87.4 | -15 | -178.4 | -70.3 | -59.8 | 0 | 0 | 0 | 113.3 | L302 L303 P310 | L302-N306 PolarHBondContact O-N 2.76Å; L302-N306 PolarHBondContact O-ND2 3.27Å; L303-N306 CarbonylContact O-C 3.58Å; L303-N306 PolarHBondContact O-N 3.04Å; N306-P310 VanDerWaalsContact O-CD 3.22Å; N306-P310 WeakPolarHBondContact O-CD 3.36Å |
| 307 | L | 64.1 | Low | 77.7 | Confident | 87 Ų | 87 | 79.7 Ų | 79.7 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -91.4 | -15.7 | -172.2 | -164.9 | 77.5 | 0 | 0 | 0 | 112.9 | L303 Y309 P310 V311 | L303-L307 WeakPolarHBondContact O-CA 2.94Å; L303-L307 WeakPolarHBondContact O-CB 3.46Å; L303-L307 PolarHBondContact O-N 3.18Å; L307-Y309 VanDerWaalsContact C-N 3.35Å; L307-Y309 PolarHBondContact O-N 2.85Å; L307-P310 HydrophobicContact CD1-CG 4.19Å; L307-P310 VanDerWaalsContact O-CD 3.27Å; L307-P310 WeakPolarHBondContact O-CD 3.2Å; L307-P310 WeakPolarHBondContact O-CG 3.27Å; L307-V311 HydrophobicContact CD1-CG2 4.25Å; L307-V311 HydrophobicContact CD2-CG2 3.97Å; L307-V311 HydrophobicContact CG-CG2 3.6Å; L307-V311 VanDerWaalsContact O-CB 3.27Å; L307-V311 WeakPolarHBondContact O-CB 3.27Å; L307-V311 VanDerWaalsContact O-CG2 3.26Å; L307-V311 WeakPolarHBondContact O-CG2 3.26Å; L307-V311 PolarHBondContact O-N 2.91Å |
| 308 | E | 64.6 | Low | 77.5 | Confident | 133 Ų | 133 | 86 Ų | 86 | 62% | 0.621 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -54.8 | -48.1 | 177.3 | -72.7 | 178.8 | -173.5 | 0 | 0 | 112.1 | I312 | E308-I312 WeakPolarHBondContact O-CD1 3.22Å; E308-I312 WeakPolarHBondContact O-CG1 3.27Å; E308-I312 PolarHBondContact O-N 3.43Å; E308-I312 VanDerWaalsContact O-N 3.07Å |
| 309 | Y | 62.6 | Low | 77.3 | Confident | 187 Ų | 187 | 92.7 Ų | 92.7 | 73% | 0.733 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.8 | -52.5 | -179.2 | -171.1 | -97.9 | 0 | 0 | 0 | 114.2 | L307 V311 I312 L313 | L307-Y309 VanDerWaalsContact C-N 3.35Å; L307-Y309 PolarHBondContact O-N 2.85Å; Y309-V311 VanDerWaalsContact C-N 3.31Å; Y309-V311 PolarHBondContact O-N 3.07Å; Y309-I312 PolarHBondContact O-N 3.39Å; Y309-L313 PolarHBondContact O-N 3.02Å; Y309-L313 VanDerWaalsContact O-N 3.07Å |
| 310 | P | 71.3 | Confident | 77 | Confident | 59 Ų | 59 | 96 Ų | 96 | 38% | 0.383 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.6 | -27.5 | 178.4 | 26.9 | -35.9 | 0 | 0 | 0 | 113.2 | N306 L307 A314 | N306-P310 VanDerWaalsContact O-CD 3.22Å; N306-P310 WeakPolarHBondContact O-CD 3.36Å; L307-P310 HydrophobicContact CD1-CG 4.19Å; L307-P310 VanDerWaalsContact O-CD 3.27Å; L307-P310 WeakPolarHBondContact O-CD 3.2Å; L307-P310 WeakPolarHBondContact O-CG 3.27Å; P310-A314 VanDerWaalsContact O-CB 3.24Å; P310-A314 WeakPolarHBondContact O-CB 3.24Å; P310-A314 PolarHBondContact O-N 2.98Å |
| 311 | V | 70.6 | Confident | 76.8 | Confident | 61 Ų | 61 | 97.1 Ų | 97.1 | 37% | 0.37 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.1 | -41.1 | 176.2 | 167.9 | 0 | 0 | 0 | 0 | 111.6 | L307 Y309 L313 A314 L315 | L307-V311 HydrophobicContact CD1-CG2 4.25Å; L307-V311 HydrophobicContact CD2-CG2 3.97Å; L307-V311 HydrophobicContact CG-CG2 3.6Å; L307-V311 VanDerWaalsContact O-CB 3.27Å; L307-V311 WeakPolarHBondContact O-CB 3.27Å; L307-V311 VanDerWaalsContact O-CG2 3.26Å; L307-V311 WeakPolarHBondContact O-CG2 3.26Å; L307-V311 PolarHBondContact O-N 2.91Å; Y309-V311 VanDerWaalsContact C-N 3.31Å; Y309-V311 PolarHBondContact O-N 3.07Å; V311-L313 VanDerWaalsContact C-N 3.29Å; V311-L313 PolarHBondContact O-N 3.37Å; V311-A314 PolarHBondContact O-N 2.94Å; V311-L315 HydrophobicContact CG1-CD1 3.89Å; V311-L315 HydrophobicContact CG1-CG 4.29Å; V311-L315 WeakPolarHBondContact O-CB 3.33Å; V311-L315 VanDerWaalsContact O-CG 3.27Å; V311-L315 WeakPolarHBondContact O-CG 3.45Å; V311-L315 PolarHBondContact O-N 2.94Å |
| 312 | I | 74.7 | Confident | 76.5 | Confident | 106 Ų | 106 | 102.8 Ų | 102.8 | 54% | 0.544 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 173.7 | -67 | 164 | 0 | 0 | 0 | 110.2 | E308 Y309 L315 T316 | E308-I312 WeakPolarHBondContact O-CD1 3.22Å; E308-I312 WeakPolarHBondContact O-CG1 3.27Å; E308-I312 PolarHBondContact O-N 3.43Å; E308-I312 VanDerWaalsContact O-N 3.07Å; Y309-I312 PolarHBondContact O-N 3.39Å; I312-L315 PolarHBondContact O-N 3.48Å; I312-T316 WeakPolarHBondContact O-CB 3.24Å; I312-T316 WeakPolarHBondContact O-CG2 3.24Å; I312-T316 PolarHBondContact O-N 2.8Å; I312-T316 PolarHBondContact O-OG1 2.85Å |
| 313 | L | 80.4 | Confident | 76.1 | Confident | 97 Ų | 97 | 101.4 Ų | 101.4 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 174.1 | -171.9 | 68.6 | 0 | 0 | 0 | 111.7 | Y309 V311 L315 T316 V317 | Y309-L313 PolarHBondContact O-N 3.02Å; Y309-L313 VanDerWaalsContact O-N 3.07Å; V311-L313 VanDerWaalsContact C-N 3.29Å; V311-L313 PolarHBondContact O-N 3.37Å; L313-L315 PolarHBondContact O-N 2.82Å; L313-T316 WeakPolarHBondContact CA-OG1 3.43Å; L313-T316 PolarHBondContact O-N 2.84Å; L313-T316 PolarHBondContact O-OG1 3.07Å; L313-V317 WeakPolarHBondContact O-CB 3.37Å; L313-V317 VanDerWaalsContact O-CG2 3.24Å; L313-V317 WeakPolarHBondContact O-CG2 3.34Å; L313-V317 PolarHBondContact O-N 3.46Å |
| 314 | A | 82 | Confident | 75.6 | Confident | 60 Ų | 60 | 105.7 Ų | 105.7 | 50% | 0.496 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P310 V311 W318 | P310-A314 VanDerWaalsContact O-CB 3.24Å; P310-A314 WeakPolarHBondContact O-CB 3.24Å; P310-A314 PolarHBondContact O-N 2.98Å; V311-A314 PolarHBondContact O-N 2.94Å; A314-W318 VanDerWaalsContact O-CB 3.24Å; A314-W318 WeakPolarHBondContact O-CB 3.33Å; A314-W318 PolarHBondContact O-N 3.36Å |
| 315 | L | 80.8 | Confident | 75.2 | Confident | 92 Ų | 92 | 108.3 Ų | 108.3 | 48% | 0.482 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.5 | -36.2 | 176.4 | -74.6 | 171.6 | 0 | 0 | 0 | 112.7 | V311 I312 L313 R319 | V311-L315 HydrophobicContact CG1-CD1 3.89Å; V311-L315 HydrophobicContact CG1-CG 4.29Å; V311-L315 WeakPolarHBondContact O-CB 3.33Å; V311-L315 VanDerWaalsContact O-CG 3.27Å; V311-L315 WeakPolarHBondContact O-CG 3.45Å; V311-L315 PolarHBondContact O-N 2.94Å; I312-L315 PolarHBondContact O-N 3.48Å; L313-L315 PolarHBondContact O-N 2.82Å; L315-R319 WeakPolarHBondContact O-CB 3.39Å; L315-R319 PolarHBondContact O-N 3.48Å |
| 316 | T | 79.7 | Confident | 74.9 | Confident | 61 Ų | 61 | 113.6 Ų | 113.6 | 37% | 0.374 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -70.6 | -42.2 | 175.3 | 47 | 0 | 0 | 0 | 0 | 111.1 | I312 L313 R319 K320 | I312-T316 WeakPolarHBondContact O-CB 3.24Å; I312-T316 WeakPolarHBondContact O-CG2 3.24Å; I312-T316 PolarHBondContact O-N 2.8Å; I312-T316 PolarHBondContact O-OG1 2.85Å; L313-T316 WeakPolarHBondContact CA-OG1 3.43Å; L313-T316 PolarHBondContact O-N 2.84Å; L313-T316 PolarHBondContact O-OG1 3.07Å; T316-R319 PolarHBondContact O-N 2.81Å; T316-K320 WeakPolarHBondContact O-CB 3.27Å; T316-K320 PolarHBondContact O-N 3Å |
| 317 | V | 85.8 | Confident | 74.2 | Confident | 77 Ų | 77 | 116.6 Ų | 116.6 | 47% | 0.467 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.5 | -46.4 | 172 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L313 R319 K320 V321 | L313-V317 WeakPolarHBondContact O-CB 3.37Å; L313-V317 VanDerWaalsContact O-CG2 3.24Å; L313-V317 WeakPolarHBondContact O-CG2 3.34Å; L313-V317 PolarHBondContact O-N 3.46Å; V317-R319 PolarHBondContact O-N 3.39Å; V317-K320 PolarHBondContact O-N 3.46Å; V317-V321 HydrophobicContact CG1-CG2 4.19Å; V317-V321 WeakPolarHBondContact O-CB 3.39Å; V317-V321 VanDerWaalsContact O-CG2 3.27Å; V317-V321 WeakPolarHBondContact O-CG2 3.2Å; V317-V321 PolarHBondContact O-N 3.27Å |
| 318 | W | 82.9 | Confident | 74.1 | Confident | 182 Ų | 182 | 121.3 Ų | 121.3 | 69% | 0.689 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59 | -47.1 | 176.6 | -176.4 | -66.1 | 0 | 0 | 0 | 111.8 | A314 K320 V321 R322 | A314-W318 VanDerWaalsContact O-CB 3.24Å; A314-W318 WeakPolarHBondContact O-CB 3.33Å; A314-W318 PolarHBondContact O-N 3.36Å; W318-K320 VanDerWaalsContact C-N 3.29Å; W318-K320 PolarHBondContact O-N 2.83Å; W318-V321 PolarHBondContact O-N 2.86Å; W318-R322 WeakPolarHBondContact O-CB 3.43Å; W318-R322 PolarHBondContact O-N 3.5Å |
| 319 | R | 84.4 | Confident | 74.2 | Confident | 168 Ų | 168 | 120.6 Ų | 120.6 | 63% | 0.634 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.1 | -40.1 | 176.8 | -89.4 | -175.3 | -89.4 | 165 | -10.3 | 111.9 | L315 T316 V317 R322 G323 | L315-R319 WeakPolarHBondContact O-CB 3.39Å; L315-R319 PolarHBondContact O-N 3.48Å; T316-R319 PolarHBondContact O-N 2.81Å; V317-R319 PolarHBondContact O-N 3.39Å; R319-R322 PolarHBondContact O-N 3.4Å; R319-G323 PolarHBondContact O-N 3.19Å |
| 320 | K | 79.9 | Confident | 74.2 | Confident | 173 Ų | 173 | 119.8 Ų | 119.8 | 75% | 0.752 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69.8 | -42.2 | 179.4 | -159 | 171.3 | -174.2 | 177.8 | 0 | 112.2 | T316 V317 W318 G323 Y324 | T316-K320 WeakPolarHBondContact O-CB 3.27Å; T316-K320 PolarHBondContact O-N 3Å; V317-K320 PolarHBondContact O-N 3.46Å; W318-K320 VanDerWaalsContact C-N 3.29Å; W318-K320 PolarHBondContact O-N 2.83Å; K320-G323 PolarHBondContact O-N 3.41Å; K320-Y324 WeakPolarHBondContact O-CB 3.4Å; K320-Y324 PolarHBondContact O-N 2.84Å |
| 321 | V | 82.9 | Confident | 74 | Confident | 76 Ų | 76 | 122.9 Ų | 122.9 | 46% | 0.461 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.4 | -41.6 | 174.6 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | V317 W318 Y324 I325 | V317-V321 HydrophobicContact CG1-CG2 4.19Å; V317-V321 WeakPolarHBondContact O-CB 3.39Å; V317-V321 VanDerWaalsContact O-CG2 3.27Å; V317-V321 WeakPolarHBondContact O-CG2 3.2Å; V317-V321 PolarHBondContact O-N 3.27Å; W318-V321 PolarHBondContact O-N 2.86Å; V321-Y324 PolarHBondContact O-N 2.92Å; V321-I325 HydrophobicContact CG1-CD1 3.67Å; V321-I325 HydrophobicContact CG1-CG1 4.46Å; V321-I325 WeakPolarHBondContact O-CB 3.18Å; V321-I325 WeakPolarHBondContact O-CD1 3.46Å; V321-I325 VanDerWaalsContact O-CG1 3.23Å; V321-I325 WeakPolarHBondContact O-CG1 3.44Å; V321-I325 PolarHBondContact O-N 3.12Å |
| 322 | R | 77.4 | Confident | 73.9 | Confident | 140 Ų | 140 | 131.4 Ų | 131.4 | 53% | 0.528 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62 | -47.4 | 174 | -165.7 | 175.4 | -178.2 | -176.8 | 0.9 | 110.8 | W318 R319 Y324 I325 Y326 | W318-R322 WeakPolarHBondContact O-CB 3.43Å; W318-R322 PolarHBondContact O-N 3.5Å; R319-R322 PolarHBondContact O-N 3.4Å; R322-Y324 VanDerWaalsContact C-N 3.27Å; R322-Y324 PolarHBondContact O-N 3.41Å; R322-I325 PolarHBondContact O-N 2.99Å; R322-I325 VanDerWaalsContact O-N 3.16Å; R322-Y326 HydrophobicContact CG-CD2 3.63Å; R322-Y326 HydrophobicContact CG-CE2 3.53Å; R322-Y326 WeakPolarHBondContact O-CD2 3.23Å; R322-Y326 PolarHBondContact O-N 3.16Å |
| 323 | G | 74.6 | Confident | 74.2 | Confident | 43 Ų | 43 | 135.8 Ų | 135.8 | 44% | 0.443 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -59.9 | -35.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R319 K320 W327 | R319-G323 PolarHBondContact O-N 3.19Å; K320-G323 PolarHBondContact O-N 3.41Å; G323-W327 PolarHBondContact O-N 3.34Å |
| 324 | Y | 69.9 | Low | 74.3 | Confident | 180 Ų | 180 | 138.5 Ų | 138.5 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.9 | -37.1 | 174.5 | -172.7 | -98.4 | 0 | 0 | 0 | 112.8 | K320 V321 R322 W327 | K320-Y324 WeakPolarHBondContact O-CB 3.4Å; K320-Y324 PolarHBondContact O-N 2.84Å; V321-Y324 PolarHBondContact O-N 2.92Å; R322-Y324 VanDerWaalsContact C-N 3.27Å; R322-Y324 PolarHBondContact O-N 3.41Å; Y324-W327 WeakPolarHBondContact O-CB 3.48Å; Y324-W327 PolarHBondContact O-N 2.93Å |
| 325 | I | 68.5 | Low | 74.5 | Confident | 119 Ų | 119 | 139.8 Ų | 139.8 | 61% | 0.61 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.8 | -31.3 | 177.8 | -70.4 | 164.6 | 0 | 0 | 0 | 111.9 | V321 R322 | V321-I325 HydrophobicContact CG1-CD1 3.67Å; V321-I325 HydrophobicContact CG1-CG1 4.46Å; V321-I325 WeakPolarHBondContact O-CB 3.18Å; V321-I325 WeakPolarHBondContact O-CD1 3.46Å; V321-I325 VanDerWaalsContact O-CG1 3.23Å; V321-I325 WeakPolarHBondContact O-CG1 3.44Å; V321-I325 PolarHBondContact O-N 3.12Å; R322-I325 PolarHBondContact O-N 2.99Å; R322-I325 VanDerWaalsContact O-N 3.16Å |
| 326 | Y | 65.2 | Low | 74.9 | Confident | 163 Ų | 163 | 138 Ų | 138 | 64% | 0.639 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 20.9 | 177 | -68.7 | -75 | 0 | 0 | 0 | 113.6 | R322 K328 | R322-Y326 HydrophobicContact CG-CD2 3.63Å; R322-Y326 HydrophobicContact CG-CE2 3.53Å; R322-Y326 WeakPolarHBondContact O-CD2 3.23Å; R322-Y326 PolarHBondContact O-N 3.16Å; Y326-K328 PolarHBondContact O-N 2.93Å; Y326-K328 VanDerWaalsContact O-N 3.12Å |
| 327 | W | 56.5 | Low | 75.1 | Confident | 184 Ų | 184 | 140.8 Ų | 140.8 | 70% | 0.697 | 65% | 0.648 | S | S | * | * | trans | -70.4 | 105.3 | 177.9 | -164.7 | -65.4 | 0 | 0 | 0 | 110.3 | G323 Y324 | G323-W327 PolarHBondContact O-N 3.34Å; Y324-W327 WeakPolarHBondContact O-CB 3.48Å; Y324-W327 PolarHBondContact O-N 2.93Å | ||
| 328 | K | 61.2 | Low | 75.3 | Confident | 186 Ų | 186 | 144.7 Ų | 144.7 | 81% | 0.809 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 130.4 | 169.6 | -77.5 | -174.5 | 177.5 | -178 | 0 | 108.9 | Y326 Q330 | Y326-K328 PolarHBondContact O-N 2.93Å; Y326-K328 VanDerWaalsContact O-N 3.12Å; K328-Q330 PolarHBondContact O-N 3.27Å |
| 329 | P | 66.6 | Low | 75.7 | Confident | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 138.7 | 173.1 | 23.9 | -31.2 | 0 | 0 | 0 | 109.2 | ||
| 330 | Q | 63.1 | Low | 76 | Confident | 171 Ų | 171 | 139.1 Ų | 139.1 | 80% | 0.799 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 134.5 | -179.1 | -82.2 | -177.8 | -27.8 | 0 | 0 | 109.9 | K328 R332 | K328-Q330 PolarHBondContact O-N 3.27Å; Q330-R332 PolarHBondContact O-N 3.26Å |
| 331 | P | 66.1 | Low | 76.4 | Confident | 123 Ų | 123 | 135.6 Ų | 135.6 | 80% | 0.799 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 139.1 | 175.1 | 23.5 | -31.1 | 0 | 0 | 0 | 109 | R333 | P331-R333 PolarHBondContact O-N 3.38Š|
| 332 | R | 70.3 | Confident | 76.9 | Confident | 240 Ų | 240 | 138 Ų | 138 | 91% | 0.906 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 135.7 | 177.6 | -66.6 | -176.4 | -178 | -170.8 | 0.8 | 108.1 | Q330 L334 | Q330-R332 PolarHBondContact O-N 3.26Å; R332-L334 PolarHBondContact O-N 3.39Å |
| 333 | R | 79.8 | Confident | 77.7 | Confident | 198 Ų | 198 | 136.5 Ų | 136.5 | 75% | 0.747 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 128.1 | 176.2 | -177.2 | -178 | 168.3 | -177.4 | -4.2 | 108.8 | P331 | P331-R333 PolarHBondContact O-N 3.38Š|
| 334 | L | 82.8 | Confident | 78.5 | Confident | 155 Ų | 155 | 136.4 Ų | 136.4 | 81% | 0.812 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 143.6 | 170.3 | -62.9 | 175 | 0 | 0 | 0 | 108.9 | R332 T336 | R332-L334 PolarHBondContact O-N 3.39Å; L334-T336 PolarHBondContact O-N 3.1Å |
| 335 | L | 86.3 | Confident | 79.6 | Confident | 87 Ų | 87 | 134.5 Ų | 134.5 | 46% | 0.455 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 141.7 | 172.8 | -94.8 | 66.4 | 0 | 0 | 0 | 108.8 | E339 E343 | L335-E339 HydrophobicContact CB-CB 4.14Å; L335-E339 HydrophobicContact CD2-CB 4.03Å; L335-E339 HydrophobicContact CG-CB 3.93Å; L335-E343 WeakPolarHBondContact CD2-OE2 3.45Å |
| 336 | T | 88.7 | Confident | 80.9 | Confident | 53 Ų | 53 | 133.9 Ų | 133.9 | 33% | 0.325 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 154.7 | 166.5 | 55.8 | 0 | 0 | 0 | 0 | 109.6 | L334 E338 E339 Y340 | L334-T336 PolarHBondContact O-N 3.1Å; T336-E338 PolarHBondContact O-N 3.41Å; T336-E339 PolarHBondContact N-OE2 3.19Å; T336-E339 WeakPolarHBondContact O-CA 3.41Å; T336-E339 WeakPolarHBondContact O-CB 3.45Å; T336-E339 PolarHBondContact O-N 3.42Å; T336-E339 WeakPolarHBondContact OG1-CG 3.27Å; T336-E339 PolarHBondContact OG1-OE2 3.31Å; T336-Y340 PolarHBondContact O-N 3.43Å |
| 337 | E | 85.3 | Confident | 82.4 | Confident | 120 Ų | 120 | 130.7 Ų | 130.7 | 56% | 0.561 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -54.1 | -39.8 | -179.6 | -175.5 | 55.4 | -146.6 | 0 | 0 | 111.9 | Y340 Q341 | E337-Y340 PolarHBondContact O-N 3.43Å; E337-Q341 WeakPolarHBondContact O-CB 3.39Å; E337-Q341 VanDerWaalsContact O-CG 3.27Å; E337-Q341 WeakPolarHBondContact O-CG 3.48Å; E337-Q341 PolarHBondContact O-N 3.37Å; E337-Q341 PolarHBondContact OE1-NE2 3.5Å |
| 338 | E | 88.1 | Confident | 84.2 | Confident | 159 Ų | 159 | 125.3 Ų | 125.3 | 74% | 0.743 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.2 | -41.1 | 175.6 | -61.2 | -177.6 | -176.7 | 0 | 0 | 112.8 | T336 K342 | T336-E338 PolarHBondContact O-N 3.41Å; E338-K342 VanDerWaalsContact O-CB 3.3Å; E338-K342 WeakPolarHBondContact O-CB 3.37Å; E338-K342 PolarHBondContact O-N 2.86Å |
| 339 | E | 91.7 | Very high | 85.7 | Confident | 92 Ų | 92 | 122.9 Ų | 122.9 | 43% | 0.43 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.4 | -40.5 | 176.5 | -73.5 | 165.7 | 155.1 | 0 | 0 | 110.9 | L335 T336 K342 E343 | L335-E339 HydrophobicContact CB-CB 4.14Å; L335-E339 HydrophobicContact CD2-CB 4.03Å; L335-E339 HydrophobicContact CG-CB 3.93Å; T336-E339 PolarHBondContact N-OE2 3.19Å; T336-E339 WeakPolarHBondContact O-CA 3.41Å; T336-E339 WeakPolarHBondContact O-CB 3.45Å; T336-E339 PolarHBondContact O-N 3.42Å; T336-E339 WeakPolarHBondContact OG1-CG 3.27Å; T336-E339 PolarHBondContact OG1-OE2 3.31Å; E339-K342 PolarHBondContact O-N 3.41Å; E339-E343 WeakPolarHBondContact O-CB 3.27Å; E339-E343 PolarHBondContact O-N 3.5Å |
| 340 | Y | 90.4 | Very high | 87.1 | Confident | 141 Ų | 141 | 124.4 Ų | 124.4 | 55% | 0.553 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.5 | -49.5 | 177.2 | 175.7 | -103.9 | 0 | 0 | 0 | 111.6 | T336 E337 K342 E343 A344 | T336-Y340 PolarHBondContact O-N 3.43Å; E337-Y340 PolarHBondContact O-N 3.43Å; Y340-K342 VanDerWaalsContact C-N 3.31Å; Y340-K342 PolarHBondContact O-N 2.99Å; Y340-E343 PolarHBondContact O-N 3.13Å; Y340-A344 WeakPolarHBondContact O-CB 3.18Å; Y340-A344 PolarHBondContact O-N 3.43Å |
| 341 | Q | 88.4 | Confident | 88.7 | Confident | 99 Ų | 99 | 118.9 Ų | 118.9 | 46% | 0.463 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.7 | -43.5 | 177.9 | -73.2 | 177 | 7.6 | 0 | 0 | 111.4 | E337 A344 E345 | E337-Q341 WeakPolarHBondContact O-CB 3.39Å; E337-Q341 VanDerWaalsContact O-CG 3.27Å; E337-Q341 WeakPolarHBondContact O-CG 3.48Å; E337-Q341 PolarHBondContact O-N 3.37Å; E337-Q341 PolarHBondContact OE1-NE2 3.5Å; Q341-A344 PolarHBondContact O-N 2.8Å; Q341-E345 WeakPolarHBondContact O-CG 3.33Å; Q341-E345 PolarHBondContact O-N 2.91Å |
| 342 | K | 93.4 | Very high | 90 | Very high | 127 Ų | 127 | 114.8 Ų | 114.8 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.8 | -44.3 | 178.5 | -172.6 | 179.3 | 177.9 | -175.1 | 0 | 112.5 | E338 E339 Y340 A344 E345 E346 | E338-K342 VanDerWaalsContact O-CB 3.3Å; E338-K342 WeakPolarHBondContact O-CB 3.37Å; E338-K342 PolarHBondContact O-N 2.86Å; E339-K342 PolarHBondContact O-N 3.41Å; Y340-K342 VanDerWaalsContact C-N 3.31Å; Y340-K342 PolarHBondContact O-N 2.99Å; K342-A344 VanDerWaalsContact C-N 3.33Å; K342-E345 PolarHBondContact O-N 2.88Å; K342-E346 WeakPolarHBondContact CE-OE1 3.29Å; K342-E346 WeakPolarHBondContact O-CB 3.09Å; K342-E346 WeakPolarHBondContact O-CG 3.43Å; K342-E346 PolarHBondContact O-N 2.83Å |
| 343 | E | 94.6 | Very high | 91.1 | Very high | 109 Ų | 109 | 106.9 Ų | 106.9 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 177.1 | -170.5 | 169 | -165.7 | 0 | 0 | 111.1 | L335 E339 Y340 E346 E347 | L335-E343 WeakPolarHBondContact CD2-OE2 3.45Å; E339-E343 WeakPolarHBondContact O-CB 3.27Å; E339-E343 PolarHBondContact O-N 3.5Å; Y340-E343 PolarHBondContact O-N 3.13Å; E343-E346 PolarHBondContact O-N 2.89Å; E343-E347 WeakPolarHBondContact O-CB 3.39Å; E343-E347 PolarHBondContact O-N 3.1Å |
| 344 | A | 92.7 | Very high | 91.8 | Very high | 41 Ų | 41 | 103.6 Ų | 103.6 | 34% | 0.339 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y340 Q341 K342 T348 | Y340-A344 WeakPolarHBondContact O-CB 3.18Å; Y340-A344 PolarHBondContact O-N 3.43Å; Q341-A344 PolarHBondContact O-N 2.8Å; K342-A344 VanDerWaalsContact C-N 3.33Å; A344-T348 WeakPolarHBondContact O-CB 3.45Å; A344-T348 PolarHBondContact O-N 3.29Å; A344-T348 PolarHBondContact O-OG1 3.32Å |
| 345 | E | 92.4 | Very high | 92.3 | Very high | 140 Ų | 140 | 100.1 Ų | 100.1 | 65% | 0.654 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.6 | -46.1 | 176.2 | -75.1 | -178.1 | -177.2 | 0 | 0 | 112.1 | Q341 K342 R349 | Q341-E345 WeakPolarHBondContact O-CG 3.33Å; Q341-E345 PolarHBondContact O-N 2.91Å; K342-E345 PolarHBondContact O-N 2.88Å; E345-R349 VanDerWaalsContact O-CB 3.28Å; E345-R349 WeakPolarHBondContact O-CB 3.5Å; E345-R349 PolarHBondContact O-N 2.85Å |
| 346 | E | 96.2 | Very high | 92.6 | Very high | 105 Ų | 105 | 99 Ų | 99 | 49% | 0.491 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.1 | -46.5 | -178.4 | -75.3 | -176.7 | -169.3 | 0 | 0 | 112 | K342 E343 R350 | K342-E346 WeakPolarHBondContact CE-OE1 3.29Å; K342-E346 WeakPolarHBondContact O-CB 3.09Å; K342-E346 WeakPolarHBondContact O-CG 3.43Å; K342-E346 PolarHBondContact O-N 2.83Å; E343-E346 PolarHBondContact O-N 2.89Å; E346-R350 WeakPolarHBondContact O-CB 3.45Å; E346-R350 PolarHBondContact O-N 3.44Å |
| 347 | E | 95.9 | Very high | 92.8 | Very high | 96 Ų | 96 | 103.6 Ų | 103.6 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.8 | -38.1 | 177.9 | -78.9 | -62.4 | 164.5 | 0 | 0 | 112 | E343 R349 R350 A351 | E343-E347 WeakPolarHBondContact O-CB 3.39Å; E343-E347 PolarHBondContact O-N 3.1Å; E347-R349 PolarHBondContact O-N 3.49Å; E347-R350 PolarHBondContact O-N 2.97Å; E347-R350 IonicContact OE1-NH1 2.72Å; E347-A351 VanDerWaalsContact O-CB 3.3Å; E347-A351 WeakPolarHBondContact O-CB 3.12Å; E347-A351 PolarHBondContact O-N 3.33Å |
| 348 | T | 93.9 | Very high | 93.1 | Very high | 71 Ų | 71 | 103.8 Ų | 103.8 | 44% | 0.436 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 174.5 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | A344 R350 A351 L352 | A344-T348 WeakPolarHBondContact O-CB 3.45Å; A344-T348 PolarHBondContact O-N 3.29Å; A344-T348 PolarHBondContact O-OG1 3.32Å; T348-R350 VanDerWaalsContact C-N 3.34Å; T348-R350 PolarHBondContact O-N 3.35Å; T348-A351 PolarHBondContact O-N 3.06Å; T348-L352 HydrophobicContact CG2-CD1 3.89Å; T348-L352 HydrophobicContact CG2-CG 4.38Å; T348-L352 WeakPolarHBondContact O-CB 3.49Å; T348-L352 WeakPolarHBondContact O-CG 3.35Å; T348-L352 PolarHBondContact O-N 2.82Å |
| 349 | R | 93.1 | Very high | 93.2 | Very high | 136 Ų | 136 | 96.7 Ų | 96.7 | 51% | 0.513 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 175.8 | -175.9 | -173 | 63.4 | 79.3 | 1.9 | 111 | E345 E347 L352 E353 | E345-R349 VanDerWaalsContact O-CB 3.28Å; E345-R349 WeakPolarHBondContact O-CB 3.5Å; E345-R349 PolarHBondContact O-N 2.85Å; E347-R349 PolarHBondContact O-N 3.49Å; R349-L352 PolarHBondContact O-N 2.89Å; R349-E353 IonicContact CZ-OE1 3.83Å; R349-E353 IonicContact NH1-OE1 3.23Å; R349-E353 PolarHBondContact NH1-OE1 2.89Å; R349-E353 IonicContact NH1-OE2 3.23Å; R349-E353 WeakPolarHBondContact O-CG 3.22Å; R349-E353 PolarHBondContact O-N 2.97Å |
| 350 | R | 96.4 | Very high | 92.9 | Very high | 149 Ų | 149 | 97.6 Ų | 97.6 | 56% | 0.562 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.6 | -46.9 | 179.9 | -172.7 | -178.2 | -177.6 | 179.1 | 0.8 | 111.9 | E346 E347 T348 L352 E353 E354 | E346-R350 WeakPolarHBondContact O-CB 3.45Å; E346-R350 PolarHBondContact O-N 3.44Å; E347-R350 PolarHBondContact O-N 2.97Å; E347-R350 IonicContact OE1-NH1 2.72Å; T348-R350 VanDerWaalsContact C-N 3.34Å; T348-R350 PolarHBondContact O-N 3.35Å; R350-L352 PolarHBondContact O-N 3.3Å; R350-E353 PolarHBondContact O-N 3.2Å; R350-E354 PolarHBondContact O-N 2.89Å |
| 351 | A | 95.8 | Very high | 92.9 | Very high | 55 Ų | 55 | 92.4 Ų | 92.4 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | E347 T348 E354 L355 | E347-A351 VanDerWaalsContact O-CB 3.3Å; E347-A351 WeakPolarHBondContact O-CB 3.12Å; E347-A351 PolarHBondContact O-N 3.33Å; T348-A351 PolarHBondContact O-N 3.06Å; A351-E354 PolarHBondContact O-N 2.83Å; A351-L355 WeakPolarHBondContact O-CB 3.45Å; A351-L355 PolarHBondContact O-N 3.36Å |
| 352 | L | 94.6 | Very high | 92.8 | Very high | 37 Ų | 37 | 93.8 Ų | 93.8 | 19% | 0.194 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 176.2 | -70.6 | 170.6 | 0 | 0 | 0 | 112.5 | T348 R349 R350 L355 R356 F382 H388 | T348-L352 HydrophobicContact CG2-CD1 3.89Å; T348-L352 HydrophobicContact CG2-CG 4.38Å; T348-L352 WeakPolarHBondContact O-CB 3.49Å; T348-L352 WeakPolarHBondContact O-CG 3.35Å; T348-L352 PolarHBondContact O-N 2.82Å; R349-L352 PolarHBondContact O-N 2.89Å; R350-L352 PolarHBondContact O-N 3.3Å; L352-L355 PolarHBondContact O-N 3.4Å; L352-R356 WeakPolarHBondContact O-CG 3.39Å; L352-R356 PolarHBondContact O-N 3.03Å; L352-F382 HydrophobicContact CD2-CE2 4.15Å; L352-F382 HydrophobicContact CD2-CZ 3.98Å; L352-H388 WeakPolarHBondContact CD1-CE1 3.49Å; L352-H388 VanDerWaalsContact CD1-ND1 3.32Å; L352-H388 WeakPolarHBondContact CD1-ND1 3.44Å; L352-H388 HydrophobicContact CD2-CB 4.43Å |
| 353 | E | 93.6 | Very high | 92.4 | Very high | 75 Ų | 75 | 94.2 Ų | 94.2 | 35% | 0.35 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 173.5 | -75.8 | 174.9 | -163.1 | 0 | 0 | 111.9 | R349 R350 R356 K357 | R349-E353 IonicContact CZ-OE1 3.83Å; R349-E353 IonicContact NH1-OE1 3.23Å; R349-E353 PolarHBondContact NH1-OE1 2.89Å; R349-E353 IonicContact NH1-OE2 3.23Å; R349-E353 WeakPolarHBondContact O-CG 3.22Å; R349-E353 PolarHBondContact O-N 2.97Å; R350-E353 PolarHBondContact O-N 3.2Å; E353-R356 PolarHBondContact O-N 3.44Å; E353-K357 WeakPolarHBondContact O-CG 3.46Å; E353-K357 PolarHBondContact O-N 3.39Å |
| 354 | E | 94.9 | Very high | 92.1 | Very high | 129 Ų | 129 | 90.8 Ų | 90.8 | 60% | 0.603 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.2 | -43.1 | 174.5 | -173.3 | 169.1 | -172.2 | 0 | 0 | 111.4 | R350 A351 R356 K357 Y358 | R350-E354 PolarHBondContact O-N 2.89Å; A351-E354 PolarHBondContact O-N 2.83Å; E354-R356 PolarHBondContact O-N 3.24Å; E354-K357 PolarHBondContact O-N 2.91Å; E354-Y358 WeakPolarHBondContact O-CB 3.41Å; E354-Y358 PolarHBondContact O-N 2.91Å |
| 355 | L | 93.3 | Very high | 91.9 | Very high | 81 Ų | 81 | 91.8 Ų | 91.8 | 42% | 0.424 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 175.5 | -175.5 | 65.9 | 0 | 0 | 0 | 111.6 | A351 L352 K357 Y358 C359 F382 | A351-L355 WeakPolarHBondContact O-CB 3.45Å; A351-L355 PolarHBondContact O-N 3.36Å; L352-L355 PolarHBondContact O-N 3.4Å; L355-K357 PolarHBondContact O-N 2.72Å; L355-Y358 PolarHBondContact O-N 3.32Å; L355-C359 PolarHBondContact O-N 2.87Å; L355-C359 PolarHBondContact O-SG 3.32Å; L355-C359 VanDerWaalsContact O-SG 3.34Å; L355-F382 HydrophobicContact CD2-CE1 4.07Å; L355-F382 HydrophobicContact CD2-CZ 4.25Å; L355-F382 HydrophobicContact CG-CE1 4.43Å |
| 356 | R | 92.1 | Very high | 91.5 | Very high | 63 Ų | 63 | 88.3 Ų | 88.3 | 24% | 0.238 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 175.8 | -74.6 | 172.1 | 176.6 | -176.1 | -3.6 | 112.1 | L352 E353 E354 Y358 C359 N360 F382 G385 S386 | L352-R356 WeakPolarHBondContact O-CG 3.39Å; L352-R356 PolarHBondContact O-N 3.03Å; E353-R356 PolarHBondContact O-N 3.44Å; E354-R356 PolarHBondContact O-N 3.24Å; R356-Y358 VanDerWaalsContact C-N 3.32Å; R356-C359 PolarHBondContact O-N 3.48Å; R356-N360 PolarHBondContact O-N 3.38Å; R356-N360 VanDerWaalsContact O-N 3.11Å; R356-N360 PolarHBondContact O-ND2 2.66Å; R356-N360 VanDerWaalsContact O-ND2 3.12Å; R356-F382 HydrophobicContact CG-CD1 4.44Å; R356-F382 HydrophobicContact CG-CE1 3.75Å; R356-F382 HydrophobicContact CG-CE2 4.16Å; R356-F382 HydrophobicContact CG-CZ 3.6Å; R356-F382 VanDerWaalsContact NE-CE2 3.34Å; R356-F382 PolarHBondContact NE-O 3.26Å; R356-G385 PolarHBondContact NH1-O 3.43Å; R356-G385 VanDerWaalsContact NH2-C 3.34Å; R356-G385 PolarHBondContact NH2-O 2.96Å; R356-S386 PolarHBondContact NH2-O 3.27Å |
| 357 | K | 92.2 | Very high | 91 | Very high | 150 Ų | 150 | 93.4 Ų | 93.4 | 65% | 0.652 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.7 | -43.2 | 175.9 | -72.7 | 172.3 | -174.5 | 170.8 | 0 | 111 | E353 E354 L355 N360 S361 | E353-K357 WeakPolarHBondContact O-CG 3.46Å; E353-K357 PolarHBondContact O-N 3.39Å; E354-K357 PolarHBondContact O-N 2.91Å; L355-K357 PolarHBondContact O-N 2.72Å; K357-N360 PolarHBondContact O-N 2.99Å; K357-S361 PolarHBondContact O-N 3.41Å; K357-S361 VanDerWaalsContact O-N 3.14Å |
| 358 | Y | 92.8 | Very high | 90.6 | Very high | 124 Ų | 124 | 94.6 Ų | 94.6 | 49% | 0.486 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 177.1 | -177.7 | -108.1 | 0 | 0 | 0 | 111.8 | E354 L355 R356 N360 S361 F364 | E354-Y358 WeakPolarHBondContact O-CB 3.41Å; E354-Y358 PolarHBondContact O-N 2.91Å; L355-Y358 PolarHBondContact O-N 3.32Å; R356-Y358 VanDerWaalsContact C-N 3.32Å; Y358-N360 PolarHBondContact O-N 3Å; Y358-S361 VanDerWaalsContact O-CB 3.27Å; Y358-S361 WeakPolarHBondContact O-CB 3.49Å; Y358-S361 PolarHBondContact O-N 3.04Å; Y358-S361 PolarHBondContact O-OG 3.45Å; Y358-F364 HydrophobicContact CD1-CD2 4.04Å; Y358-F364 AromaticContact CE1-CD2 3.65Å; Y358-F364 HydrophobicContact CE1-CD2 3.65Å; Y358-F364 HydrophobicContact CE1-CE2 4.39Å; Y358-F364 WeakPolarHBondContact O-CB 3.18Å |
| 359 | C | 89.2 | Confident | 90.3 | Very high | 11 Ų | 11 | 92.3 Ų | 92.3 | 7% | 0.074 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64.5 | -25.9 | 177.6 | -69.3 | 0 | 0 | 0 | 0 | 113.9 | L355 R356 F364 I383 | L355-C359 PolarHBondContact O-N 2.87Å; L355-C359 PolarHBondContact O-SG 3.32Å; L355-C359 VanDerWaalsContact O-SG 3.34Å; R356-C359 PolarHBondContact O-N 3.48Å; C359-F364 HydrophobicContact CB-CD1 4.17Å; C359-F364 HydrophobicContact CB-CE1 4.18Å; C359-F364 WeakPolarHBondContact O-CD1 3.3Å; C359-I383 HydrophobicContact CB-CD1 3.88Å; C359-I383 HydrophobicContact CB-CG1 3.94Å |
| 360 | N | 86.3 | Confident | 90 | Very high | 111 Ų | 111 | 88 Ų | 88 | 59% | 0.594 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -5.6 | 173.5 | -75.6 | -44.3 | 0 | 0 | 0 | 113.7 | R356 K357 Y358 I383 | R356-N360 PolarHBondContact O-N 3.38Å; R356-N360 VanDerWaalsContact O-N 3.11Å; R356-N360 PolarHBondContact O-ND2 2.66Å; R356-N360 VanDerWaalsContact O-ND2 3.12Å; K357-N360 PolarHBondContact O-N 2.99Å; Y358-N360 PolarHBondContact O-N 3Å; N360-I383 WeakPolarHBondContact OD1-CG2 3.28Å |
| 361 | S | 90.3 | Very high | 89.6 | Confident | 31 Ų | 31 | 85.3 Ų | 85.3 | 22% | 0.217 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -77.6 | 150.8 | 178.7 | 78.5 | 0 | 0 | 0 | 0 | 111.3 | K357 Y358 D363 F364 | K357-S361 PolarHBondContact O-N 3.41Å; K357-S361 VanDerWaalsContact O-N 3.14Å; Y358-S361 VanDerWaalsContact O-CB 3.27Å; Y358-S361 WeakPolarHBondContact O-CB 3.49Å; Y358-S361 PolarHBondContact O-N 3.04Å; Y358-S361 PolarHBondContact O-OG 3.45Å; S361-D363 PolarHBondContact O-N 3.21Å; S361-D363 VanDerWaalsContact O-N 3.16Å; S361-F364 PolarHBondContact O-N 3.31Å |
| 362 | P | 84.9 | Confident | 89.4 | Confident | 129 Ų | 129 | 91.8 Ų | 91.8 | 84% | 0.838 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.4 | 177.9 | 28.4 | -35.6 | 0 | 0 | 0 | 113.4 | ||
| 363 | D | 86 | Confident | 89.2 | Confident | 136 Ų | 136 | 93.4 Ų | 93.4 | 73% | 0.727 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -13.6 | -179.9 | -61.5 | -33.7 | 0 | 0 | 0 | 112.9 | S361 | S361-D363 PolarHBondContact O-N 3.21Å; S361-D363 VanDerWaalsContact O-N 3.16Å |
| 364 | F | 87.8 | Confident | 88.9 | Confident | 36 Ų | 36 | 99.7 Ų | 99.7 | 16% | 0.158 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -80.5 | 143.5 | 174.9 | -176.9 | -111.7 | 0 | 0 | 0 | 110.8 | Y358 C359 S361 P366 A369 F379 | Y358-F364 HydrophobicContact CD1-CD2 4.04Å; Y358-F364 AromaticContact CE1-CD2 3.65Å; Y358-F364 HydrophobicContact CE1-CD2 3.65Å; Y358-F364 HydrophobicContact CE1-CE2 4.39Å; Y358-F364 WeakPolarHBondContact O-CB 3.18Å; C359-F364 HydrophobicContact CB-CD1 4.17Å; C359-F364 HydrophobicContact CB-CE1 4.18Å; C359-F364 WeakPolarHBondContact O-CD1 3.3Å; S361-F364 PolarHBondContact O-N 3.31Å; F364-P366 HydrophobicContact CD1-CB 4.5Å; F364-P366 HydrophobicContact CD1-CG 4.12Å; F364-P366 HydrophobicContact CE1-CB 4.41Å; F364-P366 VanDerWaalsContact O-CD 3.27Å; F364-P366 WeakPolarHBondContact O-CD 3.48Å; F364-A369 HydrophobicContact CE1-CB 4.21Å; F364-A369 HydrophobicContact CE2-CB 4.31Å; F364-A369 HydrophobicContact CZ-CB 3.52Å; F364-F379 HydrophobicContact CE1-CE1 4.19Å; F364-F379 AromaticContact CE1-CZ 3.91Å; F364-F379 HydrophobicContact CE1-CZ 3.91Å; F364-F379 HydrophobicContact CZ-CE1 4.33Å; F364-F379 AromaticContact CZ-CZ 3.76Å; F364-F379 HydrophobicContact CZ-CZ 3.76Å |
| 365 | S | 87.6 | Confident | 88.5 | Confident | 63 Ų | 63 | 96 Ų | 96 | 44% | 0.441 | 48% | 0.483 | S | S | . | . | trans | -106 | 92.4 | -179.9 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | W367 K368 A369 | S365-W367 PolarHBondContact O-N 2.98Å; S365-K368 PolarHBondContact O-N 2.97Å; S365-A369 PolarHBondContact O-N 2.75Å | ||
| 366 | P | 85.9 | Confident | 88.3 | Confident | 67 Ų | 67 | 94.7 Ų | 94.7 | 44% | 0.435 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | -165.8 | -21.8 | 35.4 | 0 | 0 | 0 | 112.9 | F364 K368 A369 V370 | F364-P366 HydrophobicContact CD1-CB 4.5Å; F364-P366 HydrophobicContact CD1-CG 4.12Å; F364-P366 HydrophobicContact CE1-CB 4.41Å; F364-P366 VanDerWaalsContact O-CD 3.27Å; F364-P366 WeakPolarHBondContact O-CD 3.48Å; P366-K368 VanDerWaalsContact C-N 3.31Å; P366-K368 PolarHBondContact O-N 2.68Å; P366-A369 PolarHBondContact O-N 3.06Å; P366-V370 WeakPolarHBondContact O-CB 3.33Å; P366-V370 VanDerWaalsContact O-CG2 3.3Å; P366-V370 WeakPolarHBondContact O-CG2 3.31Å; P366-V370 PolarHBondContact O-N 3.21Å |
| 367 | W | 84.6 | Confident | 88.1 | Confident | 212 Ų | 212 | 100 Ų | 100 | 80% | 0.803 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.3 | -28.4 | -178.2 | -60.8 | 112.4 | 0 | 0 | 0 | 113.5 | S365 S371 | S365-W367 PolarHBondContact O-N 2.98Å; W367-S371 WeakPolarHBondContact O-CB 3.04Å; W367-S371 PolarHBondContact O-N 2.98Å; W367-S371 VanDerWaalsContact O-N 3.16Å; W367-S371 PolarHBondContact O-OG 3.46Å |
| 368 | K | 87.5 | Confident | 87.9 | Confident | 120 Ų | 120 | 96.4 Ų | 96.4 | 52% | 0.522 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.6 | -34.5 | 175.3 | -170.8 | 178.5 | -179.7 | -178.7 | 0 | 111.6 | S365 P366 S371 R372 | S365-K368 PolarHBondContact O-N 2.97Å; P366-K368 VanDerWaalsContact C-N 3.31Å; P366-K368 PolarHBondContact O-N 2.68Å; K368-S371 PolarHBondContact O-OG 2.97Å; K368-S371 VanDerWaalsContact O-OG 3.04Å; K368-R372 WeakPolarHBondContact O-CG 3.47Å |
| 369 | A | 87.4 | Confident | 87.8 | Confident | 23 Ų | 23 | 92.4 Ų | 92.4 | 19% | 0.19 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -71.2 | -49.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F364 S365 P366 S371 R372 L373 | F364-A369 HydrophobicContact CE1-CB 4.21Å; F364-A369 HydrophobicContact CE2-CB 4.31Å; F364-A369 HydrophobicContact CZ-CB 3.52Å; S365-A369 PolarHBondContact O-N 2.75Å; P366-A369 PolarHBondContact O-N 3.06Å; A369-S371 VanDerWaalsContact C-N 3.28Å; A369-S371 PolarHBondContact O-N 2.97Å; A369-R372 PolarHBondContact O-N 3.45Å; A369-L373 VanDerWaalsContact O-CG 3.31Å; A369-L373 WeakPolarHBondContact O-CG 3.33Å; A369-L373 PolarHBondContact O-N 2.93Å |
| 370 | V | 87.7 | Confident | 87.7 | Confident | 45 Ų | 45 | 93.9 Ų | 93.9 | 27% | 0.273 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -55.6 | -39.7 | 179.7 | 163.8 | 0 | 0 | 0 | 0 | 112.7 | P366 R372 L373 P376 | P366-V370 WeakPolarHBondContact O-CB 3.33Å; P366-V370 VanDerWaalsContact O-CG2 3.3Å; P366-V370 WeakPolarHBondContact O-CG2 3.31Å; P366-V370 PolarHBondContact O-N 3.21Å; V370-R372 PolarHBondContact O-N 3.42Å; V370-L373 PolarHBondContact O-N 3.47Å; V370-P376 HydrophobicContact CG1-CB 3.89Å; V370-P376 HydrophobicContact CG1-CG 4.08Å |
| 371 | S | 87.9 | Confident | 87.9 | Confident | 93 Ų | 93 | 92.4 Ų | 92.4 | 65% | 0.65 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.2 | 178.6 | 52.2 | 0 | 0 | 0 | 0 | 114.5 | W367 K368 A369 | W367-S371 WeakPolarHBondContact O-CB 3.04Å; W367-S371 PolarHBondContact O-N 2.98Å; W367-S371 VanDerWaalsContact O-N 3.16Å; W367-S371 PolarHBondContact O-OG 3.46Å; K368-S371 PolarHBondContact O-OG 2.97Å; K368-S371 VanDerWaalsContact O-OG 3.04Å; A369-S371 VanDerWaalsContact C-N 3.28Å; A369-S371 PolarHBondContact O-N 2.97Å |
| 372 | R | 91.3 | Very high | 88 | Confident | 191 Ų | 191 | 91.7 Ų | 91.7 | 72% | 0.721 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -16.8 | -179.6 | -67.1 | 178.4 | 174.5 | -163.1 | -5.7 | 113.4 | K368 A369 V370 | K368-R372 WeakPolarHBondContact O-CG 3.47Å; A369-R372 PolarHBondContact O-N 3.45Å; V370-R372 PolarHBondContact O-N 3.42Å |
| 373 | L | 89.7 | Confident | 88.2 | Confident | 71 Ų | 71 | 87.2 Ų | 87.2 | 37% | 0.372 | 44% | 0.439 | S | S | . | . | trans | -85.4 | 137.2 | -175 | -70.4 | 167.8 | 0 | 0 | 0 | 111.2 | A369 V370 S375 F379 | A369-L373 VanDerWaalsContact O-CG 3.31Å; A369-L373 WeakPolarHBondContact O-CG 3.33Å; A369-L373 PolarHBondContact O-N 2.93Å; V370-L373 PolarHBondContact O-N 3.47Å; L373-S375 VanDerWaalsContact C-N 3.28Å; L373-S375 PolarHBondContact O-N 2.93Å; L373-F379 HydrophobicContact CD1-CB 3.75Å; L373-F379 HydrophobicContact CD1-CD1 3.74Å; L373-F379 HydrophobicContact CD1-CD2 3.86Å; L373-F379 HydrophobicContact CD1-CE1 4.27Å; L373-F379 HydrophobicContact CD1-CE2 4.39Å; L373-F379 HydrophobicContact CD1-CG 3.5Å; L373-F379 VanDerWaalsContact CD1-CG 3.5Å | ||
| 374 | Q | 86.8 | Confident | 88.3 | Confident | 207 Ų | 207 | 88.5 Ų | 88.5 | 97% | 0.967 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -65.2 | -32.5 | 175.9 | -67.9 | -171.8 | -6.3 | 0 | 0 | 112.5 | ||
| 375 | S | 87.6 | Confident | 88.2 | Confident | 52 Ų | 52 | 88.7 Ų | 88.7 | 36% | 0.364 | 45% | 0.452 | S | S | . | . | trans | -133.3 | 84.7 | -178.1 | 60.8 | 0 | 0 | 0 | 0 | 112 | L373 K377 R378 | L373-S375 VanDerWaalsContact C-N 3.28Å; L373-S375 PolarHBondContact O-N 2.93Å; S375-K377 VanDerWaalsContact C-N 3.28Å; S375-K377 PolarHBondContact O-N 3.25Å; S375-R378 PolarHBondContact O-N 3.04Å; S375-R378 WeakPolarHBondContact OG-CD 3.32Å | ||
| 376 | P | 89.1 | Confident | 88.2 | Confident | 54 Ų | 54 | 88.3 Ų | 88.3 | 35% | 0.351 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.8 | -32.5 | -178.5 | -28 | 37.1 | 0 | 0 | 0 | 114.5 | V370 F379 A380 | V370-P376 HydrophobicContact CG1-CB 3.89Å; V370-P376 HydrophobicContact CG1-CG 4.08Å; P376-F379 WeakPolarHBondContact O-CB 3.21Å; P376-F379 PolarHBondContact O-N 2.99Å; P376-A380 PolarHBondContact O-N 2.82Å; P376-A380 VanDerWaalsContact O-N 3.09Å |
| 377 | K | 87.2 | Confident | 88.3 | Confident | 175 Ų | 175 | 90 Ų | 90 | 76% | 0.761 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.6 | -46.9 | 179.1 | -66.2 | -173.9 | 177.6 | -176.5 | 0 | 112.2 | S375 F379 A380 D381 | S375-K377 VanDerWaalsContact C-N 3.28Å; S375-K377 PolarHBondContact O-N 3.25Å; K377-F379 PolarHBondContact O-N 3.24Å; K377-A380 WeakPolarHBondContact O-CB 3.3Å; K377-A380 PolarHBondContact O-N 3.16Å; K377-A380 VanDerWaalsContact O-N 3.15Å; K377-D381 VanDerWaalsContact O-CG 3.23Å; K377-D381 PolarHBondContact O-N 2.88Å |
| 378 | R | 88.8 | Confident | 88.4 | Confident | 74 Ų | 74 | 84 Ų | 84 | 28% | 0.279 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.8 | -36.3 | 176.9 | -68.8 | -177 | 66.4 | 165.4 | 4.1 | 112.6 | S375 F382 K390 E393 | S375-R378 PolarHBondContact O-N 3.04Å; S375-R378 WeakPolarHBondContact OG-CD 3.32Å; R378-F382 WeakPolarHBondContact O-CB 3.43Å; R378-F382 PolarHBondContact O-N 3Å; R378-K390 VanDerWaalsContact CD-CE 3.47Å; R378-E393 IonicContact CZ-OE1 3.94Å; R378-E393 VanDerWaalsContact CZ-OE1 3.24Å; R378-E393 IonicContact CZ-OE2 3.67Å; R378-E393 IonicContact NH1-OE1 3.52Å; R378-E393 PolarHBondContact NH1-OE1 3.38Å; R378-E393 IonicContact NH1-OE2 2.97Å; R378-E393 VanDerWaalsContact NH2-CD 3.27Å; R378-E393 IonicContact NH2-OE1 3.56Å; R378-E393 PolarHBondContact NH2-OE1 2.98Å; R378-E393 IonicContact NH2-OE2 2.77Å; R378-E393 PolarHBondContact NH2-OE2 3.36Å |
| 379 | F | 89.7 | Confident | 88.5 | Confident | 39 Ų | 39 | 82.3 Ų | 82.3 | 17% | 0.171 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -70 | -41 | 179.4 | 177.1 | -108.6 | 0 | 0 | 0 | 111.6 | F364 L373 P376 K377 F382 I383 | F364-F379 HydrophobicContact CE1-CE1 4.19Å; F364-F379 AromaticContact CE1-CZ 3.91Å; F364-F379 HydrophobicContact CE1-CZ 3.91Å; F364-F379 HydrophobicContact CZ-CE1 4.33Å; F364-F379 AromaticContact CZ-CZ 3.76Å; F364-F379 HydrophobicContact CZ-CZ 3.76Å; L373-F379 HydrophobicContact CD1-CB 3.75Å; L373-F379 HydrophobicContact CD1-CD1 3.74Å; L373-F379 HydrophobicContact CD1-CD2 3.86Å; L373-F379 HydrophobicContact CD1-CE1 4.27Å; L373-F379 HydrophobicContact CD1-CE2 4.39Å; L373-F379 HydrophobicContact CD1-CG 3.5Å; L373-F379 VanDerWaalsContact CD1-CG 3.5Å; P376-F379 WeakPolarHBondContact O-CB 3.21Å; P376-F379 PolarHBondContact O-N 2.99Å; K377-F379 PolarHBondContact O-N 3.24Å; F379-F382 PolarHBondContact O-N 3.28Å; F379-I383 HydrophobicContact CD1-CD1 3.9Å; F379-I383 HydrophobicContact CE1-CD1 3.36Å; F379-I383 HydrophobicContact CE1-CG1 4.42Å; F379-I383 HydrophobicContact CE2-CD1 4.11Å; F379-I383 HydrophobicContact CE2-CG1 4.41Å; F379-I383 HydrophobicContact CG-CD1 4.49Å; F379-I383 HydrophobicContact CZ-CD1 3.48Å; F379-I383 VanDerWaalsContact CZ-CD1 3.48Å; F379-I383 HydrophobicContact CZ-CG1 4.24Å; F379-I383 WeakPolarHBondContact O-CG1 3.35Å; F379-I383 PolarHBondContact O-N 3.27Å; F379-I383 VanDerWaalsContact O-N 3.08Å |
| 380 | A | 88.8 | Confident | 88.5 | Confident | 43 Ų | 43 | 85.7 Ų | 85.7 | 36% | 0.355 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.1 | -48.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P376 K377 F382 I383 E384 | P376-A380 PolarHBondContact O-N 2.82Å; P376-A380 VanDerWaalsContact O-N 3.09Å; K377-A380 WeakPolarHBondContact O-CB 3.3Å; K377-A380 PolarHBondContact O-N 3.16Å; K377-A380 VanDerWaalsContact O-N 3.15Å; A380-F382 PolarHBondContact O-N 3.09Å; A380-I383 PolarHBondContact O-N 3.29Å; A380-I383 VanDerWaalsContact O-N 3.1Å; A380-E384 PolarHBondContact O-N 3.35Å |
| 381 | D | 89.7 | Confident | 88.5 | Confident | 79 Ų | 79 | 88.7 Ų | 88.7 | 42% | 0.422 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58 | -37.1 | 178.3 | -58.3 | -27.2 | 0 | 0 | 0 | 111.9 | K377 E384 G385 S386 | K377-D381 VanDerWaalsContact O-CG 3.23Å; K377-D381 PolarHBondContact O-N 2.88Å; D381-E384 PolarHBondContact O-N 3.22Å; D381-G385 PolarHBondContact O-N 3.34Å; D381-S386 WeakPolarHBondContact O-CB 3.2Å; D381-S386 PolarHBondContact O-N 2.89Å; D381-S386 PolarHBondContact O-OG 3.49Å; D381-S386 VanDerWaalsContact O-OG 3.06Å |
| 382 | F | 91.9 | Very high | 88.6 | Confident | 17 Ų | 17 | 88.5 Ų | 88.5 | 8% | 0.075 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 176.2 | 168.5 | -103.6 | 0 | 0 | 0 | 113.1 | L352 L355 R356 R378 F379 A380 E384 G385 H388 | L352-F382 HydrophobicContact CD2-CE2 4.15Å; L352-F382 HydrophobicContact CD2-CZ 3.98Å; L355-F382 HydrophobicContact CD2-CE1 4.07Å; L355-F382 HydrophobicContact CD2-CZ 4.25Å; L355-F382 HydrophobicContact CG-CE1 4.43Å; R356-F382 HydrophobicContact CG-CD1 4.44Å; R356-F382 HydrophobicContact CG-CE1 3.75Å; R356-F382 HydrophobicContact CG-CE2 4.16Å; R356-F382 HydrophobicContact CG-CZ 3.6Å; R356-F382 VanDerWaalsContact NE-CE2 3.34Å; R356-F382 PolarHBondContact NE-O 3.26Å; R378-F382 WeakPolarHBondContact O-CB 3.43Å; R378-F382 PolarHBondContact O-N 3Å; F379-F382 PolarHBondContact O-N 3.28Å; A380-F382 PolarHBondContact O-N 3.09Å; F382-E384 VanDerWaalsContact C-N 3.27Å; F382-E384 PolarHBondContact O-N 3.04Å; F382-G385 PolarHBondContact O-N 2.73Å; F382-G385 VanDerWaalsContact O-N 3.13Å; F382-H388 HydrophobicContact CD2-CB 3.74Å; F382-H388 HydrophobicContact CE2-CB 3.75Å |
| 383 | I | 89.6 | Confident | 88.4 | Confident | 34 Ų | 34 | 82.5 Ų | 82.5 | 17% | 0.174 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 176.3 | -69.7 | 170.1 | 0 | 0 | 0 | 110.5 | C359 N360 F379 A380 G385 | C359-I383 HydrophobicContact CB-CD1 3.88Å; C359-I383 HydrophobicContact CB-CG1 3.94Å; N360-I383 WeakPolarHBondContact OD1-CG2 3.28Å; F379-I383 HydrophobicContact CD1-CD1 3.9Å; F379-I383 HydrophobicContact CE1-CD1 3.36Å; F379-I383 HydrophobicContact CE1-CG1 4.42Å; F379-I383 HydrophobicContact CE2-CD1 4.11Å; F379-I383 HydrophobicContact CE2-CG1 4.41Å; F379-I383 HydrophobicContact CG-CD1 4.49Å; F379-I383 HydrophobicContact CZ-CD1 3.48Å; F379-I383 VanDerWaalsContact CZ-CD1 3.48Å; F379-I383 HydrophobicContact CZ-CG1 4.24Å; F379-I383 WeakPolarHBondContact O-CG1 3.35Å; F379-I383 PolarHBondContact O-N 3.27Å; F379-I383 VanDerWaalsContact O-N 3.08Å; A380-I383 PolarHBondContact O-N 3.29Å; A380-I383 VanDerWaalsContact O-N 3.1Å; I383-G385 PolarHBondContact O-N 3.38Å |
| 384 | E | 87.6 | Confident | 88.4 | Confident | 164 Ų | 164 | 82.7 Ų | 82.7 | 77% | 0.766 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -8.9 | 177.1 | -70.1 | -178.4 | -176 | 0 | 0 | 113.5 | A380 D381 F382 | A380-E384 PolarHBondContact O-N 3.35Å; D381-E384 PolarHBondContact O-N 3.22Å; F382-E384 VanDerWaalsContact C-N 3.27Å; F382-E384 PolarHBondContact O-N 3.04Å |
| 385 | G | 85.8 | Confident | 88.3 | Confident | 39 Ų | 39 | 76 Ų | 76 | 40% | 0.402 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 117.9 | -4.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R356 D381 F382 I383 | R356-G385 PolarHBondContact NH1-O 3.43Å; R356-G385 VanDerWaalsContact NH2-C 3.34Å; R356-G385 PolarHBondContact NH2-O 2.96Å; D381-G385 PolarHBondContact O-N 3.34Å; F382-G385 PolarHBondContact O-N 2.73Å; F382-G385 VanDerWaalsContact O-N 3.13Å; I383-G385 PolarHBondContact O-N 3.38Å |
| 386 | S | 88.4 | Confident | 88.4 | Confident | 56 Ų | 56 | 77.2 Ų | 77.2 | 39% | 0.392 | 43% | 0.428 | S | S | . | . | trans | -65.6 | 149.6 | 177.6 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | R356 D381 | R356-S386 PolarHBondContact NH2-O 3.27Å; D381-S386 WeakPolarHBondContact O-CB 3.2Å; D381-S386 PolarHBondContact O-N 2.89Å; D381-S386 PolarHBondContact O-OG 3.49Å; D381-S386 VanDerWaalsContact O-OG 3.06Å | ||
| 387 | P | 87.7 | Confident | 88.2 | Confident | 103 Ų | 103 | 80.1 Ų | 80.1 | 67% | 0.669 | 44% | 0.437 | S | S | * | . | trans | -54.2 | 145.4 | 177.2 | -25.4 | 34.5 | 0 | 0 | 0 | 112.9 | L389 | P387-L389 VanDerWaalsContact C-N 3.28Å; P387-L389 PolarHBondContact O-N 3.04Å | ||
| 388 | H | 87.1 | Confident | 88 | Confident | 84 Ų | 84 | 74.6 Ų | 74.6 | 39% | 0.389 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -69 | -28.3 | 179.2 | 63 | -70.5 | 0 | 0 | 0 | 112.5 | L352 F382 | L352-H388 WeakPolarHBondContact CD1-CE1 3.49Å; L352-H388 VanDerWaalsContact CD1-ND1 3.32Å; L352-H388 WeakPolarHBondContact CD1-ND1 3.44Å; L352-H388 HydrophobicContact CD2-CB 4.43Å; F382-H388 HydrophobicContact CD2-CB 3.74Å; F382-H388 HydrophobicContact CE2-CB 3.75Å |
| 389 | L | 89 | Confident | 87.7 | Confident | 86 Ų | 86 | 78.8 Ų | 78.8 | 45% | 0.45 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -98.1 | 141.4 | 175.7 | -55.4 | 175.9 | 0 | 0 | 0 | 110.6 | P387 V394 | P387-L389 VanDerWaalsContact C-N 3.28Å; P387-L389 PolarHBondContact O-N 3.04Å; L389-V394 HydrophobicContact CB-CG2 3.7Å; L389-V394 HydrophobicContact CD1-CG2 4.04Å |
| 390 | K | 87.7 | Confident | 87.1 | Confident | 93 Ų | 93 | 82.8 Ų | 82.8 | 40% | 0.404 | 47% | 0.466 | S | S | . | . | trans | -79.2 | 152.6 | 169.8 | -71.7 | 171.8 | 172.1 | 173.9 | 0 | 110.5 | R378 N392 E393 V394 | R378-K390 VanDerWaalsContact CD-CE 3.47Å; K390-N392 WeakPolarHBondContact CB-OD1 3.42Å; K390-N392 PolarHBondContact O-N 3.42Å; K390-E393 HydrophobicContact CB-CB 4.46Å; K390-E393 HydrophobicContact CB-CG 4.19Å; K390-E393 PolarHBondContact N-OE2 2.72Å; K390-E393 WeakPolarHBondContact O-CB 3.33Å; K390-E393 PolarHBondContact O-N 3.49Å; K390-V394 WeakPolarHBondContact O-CG2 3.48Å; K390-V394 PolarHBondContact O-N 3.39Å | ||
| 391 | S | 87.3 | Confident | 86.3 | Confident | 109 Ų | 109 | 86.1 Ų | 86.1 | 76% | 0.762 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -57.2 | -34.7 | 176.8 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | S395 | S391-S395 WeakPolarHBondContact O-CB 3.44Å; S391-S395 PolarHBondContact O-N 3.31Å; S391-S395 PolarHBondContact O-OG 2.99Å |
| 392 | N | 89 | Confident | 85.3 | Confident | 89 Ų | 89 | 83.5 Ų | 83.5 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.5 | -40.3 | 175.8 | 73.2 | -32.1 | 0 | 0 | 0 | 112.4 | K390 S395 V396 | K390-N392 WeakPolarHBondContact CB-OD1 3.42Å; K390-N392 PolarHBondContact O-N 3.42Å; N392-S395 WeakPolarHBondContact CA-OG 3.49Å; N392-S395 PolarHBondContact O-N 3.4Å; N392-S395 PolarHBondContact O-OG 3.15Å; N392-V396 VanDerWaalsContact O-CG2 3.29Å; N392-V396 WeakPolarHBondContact O-CG2 3.27Å; N392-V396 PolarHBondContact O-N 3.24Å |
| 393 | E | 88.9 | Confident | 83.8 | Confident | 65 Ų | 65 | 92.6 Ų | 92.6 | 30% | 0.304 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 177.1 | -69.2 | 165.8 | 175.4 | 0 | 0 | 110.6 | R378 K390 S395 V396 H397 | R378-E393 IonicContact CZ-OE1 3.94Å; R378-E393 VanDerWaalsContact CZ-OE1 3.24Å; R378-E393 IonicContact CZ-OE2 3.67Å; R378-E393 IonicContact NH1-OE1 3.52Å; R378-E393 PolarHBondContact NH1-OE1 3.38Å; R378-E393 IonicContact NH1-OE2 2.97Å; R378-E393 VanDerWaalsContact NH2-CD 3.27Å; R378-E393 IonicContact NH2-OE1 3.56Å; R378-E393 PolarHBondContact NH2-OE1 2.98Å; R378-E393 IonicContact NH2-OE2 2.77Å; R378-E393 PolarHBondContact NH2-OE2 3.36Å; K390-E393 HydrophobicContact CB-CB 4.46Å; K390-E393 HydrophobicContact CB-CG 4.19Å; K390-E393 PolarHBondContact N-OE2 2.72Å; K390-E393 WeakPolarHBondContact O-CB 3.33Å; K390-E393 PolarHBondContact O-N 3.49Å; E393-S395 VanDerWaalsContact C-N 3.31Å; E393-S395 PolarHBondContact O-N 2.84Å; E393-V396 PolarHBondContact O-N 3.23Å; E393-H397 WeakPolarHBondContact O-CB 3.49Å; E393-H397 PolarHBondContact O-N 3.08Å |
| 394 | V | 88.2 | Confident | 82.4 | Confident | 74 Ų | 74 | 93.7 Ų | 93.7 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 174.2 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | L389 K390 A398 | L389-V394 HydrophobicContact CB-CG2 3.7Å; L389-V394 HydrophobicContact CD1-CG2 4.04Å; K390-V394 WeakPolarHBondContact O-CG2 3.48Å; K390-V394 PolarHBondContact O-N 3.39Å; V394-A398 VanDerWaalsContact O-CB 3.22Å; V394-A398 WeakPolarHBondContact O-CB 3.17Å; V394-A398 PolarHBondContact O-N 3.29Å |
| 395 | S | 86.1 | Confident | 81 | Confident | 67 Ų | 67 | 86.4 Ų | 86.4 | 47% | 0.469 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.4 | -36.8 | 178.3 | 67.9 | 0 | 0 | 0 | 0 | 113.5 | S391 N392 E393 A398 Q399 | S391-S395 WeakPolarHBondContact O-CB 3.44Å; S391-S395 PolarHBondContact O-N 3.31Å; S391-S395 PolarHBondContact O-OG 2.99Å; N392-S395 WeakPolarHBondContact CA-OG 3.49Å; N392-S395 PolarHBondContact O-N 3.4Å; N392-S395 PolarHBondContact O-OG 3.15Å; E393-S395 VanDerWaalsContact C-N 3.31Å; E393-S395 PolarHBondContact O-N 2.84Å; S395-A398 PolarHBondContact O-N 3.11Å; S395-Q399 WeakPolarHBondContact O-CB 3.36Å; S395-Q399 PolarHBondContact O-N 3.24Å |
| 396 | V | 88.3 | Confident | 79.6 | Confident | 77 Ų | 77 | 87.4 Ų | 87.4 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.9 | -46 | 176.1 | 170.5 | 0 | 0 | 0 | 0 | 109.7 | N392 E393 A398 Q399 E400 | N392-V396 VanDerWaalsContact O-CG2 3.29Å; N392-V396 WeakPolarHBondContact O-CG2 3.27Å; N392-V396 PolarHBondContact O-N 3.24Å; E393-V396 PolarHBondContact O-N 3.23Å; V396-A398 VanDerWaalsContact C-N 3.34Å; V396-A398 PolarHBondContact O-N 3.36Å; V396-Q399 WeakPolarHBondContact O-CB 3.3Å; V396-Q399 PolarHBondContact O-N 3.04Å; V396-Q399 VanDerWaalsContact O-N 3.1Å; V396-E400 WeakPolarHBondContact O-CB 3.35Å; V396-E400 PolarHBondContact O-N 3.1Å |
| 397 | H | 84.8 | Confident | 78.1 | Confident | 115 Ų | 115 | 92.3 Ų | 92.3 | 53% | 0.532 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 174.9 | -175.8 | -74.5 | 0 | 0 | 0 | 111.9 | E393 Q399 E400 Y401 | E393-H397 WeakPolarHBondContact O-CB 3.49Å; E393-H397 PolarHBondContact O-N 3.08Å; H397-Q399 PolarHBondContact O-N 3.16Å; H397-E400 PolarHBondContact O-N 2.65Å; H397-Y401 AromaticContact CD2-CD2 3.83Å; H397-Y401 AromaticContact NE2-CD2 3.85Å; H397-Y401 WeakPolarHBondContact O-CB 3.27Å; H397-Y401 PolarHBondContact O-N 2.99Å |
| 398 | A | 83.6 | Confident | 76.5 | Confident | 59 Ų | 59 | 94.6 Ų | 94.6 | 49% | 0.488 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.9 | -25.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V394 S395 V396 G402 | V394-A398 VanDerWaalsContact O-CB 3.22Å; V394-A398 WeakPolarHBondContact O-CB 3.17Å; V394-A398 PolarHBondContact O-N 3.29Å; S395-A398 PolarHBondContact O-N 3.11Å; V396-A398 VanDerWaalsContact C-N 3.34Å; V396-A398 PolarHBondContact O-N 3.36Å; A398-G402 WeakPolarHBondContact O-CA 3.44Å; A398-G402 PolarHBondContact O-N 3.26Å |
| 399 | Q | 82.1 | Confident | 75.2 | Confident | 163 Ų | 163 | 94.9 Ų | 94.9 | 76% | 0.762 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -79.2 | -39.6 | 173.9 | -177 | 177.4 | -2.5 | 0 | 0 | 111.7 | S395 V396 H397 | S395-Q399 WeakPolarHBondContact O-CB 3.36Å; S395-Q399 PolarHBondContact O-N 3.24Å; V396-Q399 WeakPolarHBondContact O-CB 3.3Å; V396-Q399 PolarHBondContact O-N 3.04Å; V396-Q399 VanDerWaalsContact O-N 3.1Å; H397-Q399 PolarHBondContact O-N 3.16Å |
| 400 | E | 78.4 | Confident | 73.7 | Confident | 122 Ų | 122 | 96.3 Ų | 96.3 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -78.3 | -37.3 | -176.9 | -168.3 | 164.3 | -153.8 | 0 | 0 | 112.5 | V396 H397 G405 | V396-E400 WeakPolarHBondContact O-CB 3.35Å; V396-E400 PolarHBondContact O-N 3.1Å; H397-E400 PolarHBondContact O-N 2.65Å; E400-G405 VanDerWaalsContact O-CA 3.27Å; E400-G405 WeakPolarHBondContact O-CA 3.09Å |
| 401 | Y | 70.5 | Confident | 72.2 | Confident | 114 Ų | 114 | 98.3 Ų | 98.3 | 45% | 0.447 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -117 | 11.6 | -177 | -61.7 | -86.2 | 0 | 0 | 0 | 113.3 | H397 | H397-Y401 AromaticContact CD2-CD2 3.83Å; H397-Y401 AromaticContact NE2-CD2 3.85Å; H397-Y401 WeakPolarHBondContact O-CB 3.27Å; H397-Y401 PolarHBondContact O-N 2.99Å |
| 402 | G | 69.8 | Low | 70.7 | Confident | 23 Ų | 23 | 101 Ų | 101 | 24% | 0.237 | 52% | 0.524 | C | S | . | . | S | Bend | trans | -74.9 | -164.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | A398 G404 G405 S406 | A398-G402 WeakPolarHBondContact O-CA 3.44Å; A398-G402 PolarHBondContact O-N 3.26Å; G402-G404 PolarHBondContact O-N 3.06Å; G402-G405 PolarHBondContact O-N 2.94Å; G402-S406 PolarHBondContact O-N 3.13Å |
| 403 | F | 59.8 | Low | 69.1 | Low | 209 Ų | 209 | 104.4 Ų | 104.4 | 92% | 0.917 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -17.2 | -176.6 | -171 | -100.6 | 0 | 0 | 0 | 115.6 | ||
| 404 | G | 59.8 | Low | 67.4 | Low | 57 Ų | 57 | 107.7 Ų | 107.7 | 59% | 0.588 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -10.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | G402 | G402-G404 PolarHBondContact O-N 3.06Š|
| 405 | G | 58.1 | Low | 65.6 | Low | 11 Ų | 11 | 109.3 Ų | 109.3 | 11% | 0.113 | 56% | 0.564 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -93.3 | -33.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E400 G402 F407 F408 E409 | E400-G405 VanDerWaalsContact O-CA 3.27Å; E400-G405 WeakPolarHBondContact O-CA 3.09Å; G402-G405 PolarHBondContact O-N 2.94Å; G405-F407 PolarHBondContact O-N 3.35Å; G405-F407 VanDerWaalsContact O-N 3.13Å; G405-F408 PolarHBondContact O-N 3.24Å; G405-E409 PolarHBondContact O-N 3.47Å |
| 406 | S | 57.7 | Low | 63.9 | Low | 60 Ų | 60 | 113.3 Ų | 113.3 | 42% | 0.42 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.1 | -27 | 178 | 65.5 | 0 | 0 | 0 | 0 | 113.3 | G402 F408 | G402-S406 PolarHBondContact O-N 3.13Å; S406-F408 VanDerWaalsContact C-N 3.29Å; S406-F408 PolarHBondContact O-N 3.47Å |
| 407 | F | 55.9 | Low | 62.1 | Low | 158 Ų | 158 | 117.1 Ų | 117.1 | 69% | 0.693 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.7 | -22 | 177.4 | -161.2 | -94.6 | 0 | 0 | 0 | 113.4 | G405 | G405-F407 PolarHBondContact O-N 3.35Å; G405-F407 VanDerWaalsContact O-N 3.13Å |
| 408 | F | 55.5 | Low | 60.5 | Low | 152 Ų | 152 | 119.2 Ų | 119.2 | 67% | 0.667 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -94.2 | -21.7 | 178.2 | -82.8 | -82.9 | 0 | 0 | 0 | 113.1 | G405 S406 | G405-F408 PolarHBondContact O-N 3.24Å; S406-F408 VanDerWaalsContact C-N 3.29Å; S406-F408 PolarHBondContact O-N 3.47Å |
| 409 | E | 58.1 | Low | 58.7 | Low | 89 Ų | 89 | 125.2 Ų | 125.2 | 42% | 0.416 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -73.3 | -42.6 | 176 | -114.3 | 178.8 | 166.5 | 0 | 0 | 111.6 | G405 E411 F412 F413 | G405-E409 PolarHBondContact O-N 3.47Å; E409-E411 VanDerWaalsContact C-N 3.27Å; E409-E411 PolarHBondContact O-N 3.22Å; E409-F412 PolarHBondContact O-N 3.39Å; E409-F412 VanDerWaalsContact O-N 3.1Å; E409-F413 HydrophobicContact CG-CE2 4.39Å; E409-F413 WeakPolarHBondContact O-CD2 3.33Å; E409-F413 PolarHBondContact O-N 3.02Å |
| 410 | D | 57.6 | Low | 57.1 | Low | 116 Ų | 116 | 125 Ų | 125 | 62% | 0.62 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -57.5 | -39.8 | 176.8 | -72 | -23.5 | 0 | 0 | 0 | 111.6 | F412 D414 | D410-F412 VanDerWaalsContact C-N 3.32Å; D410-F412 PolarHBondContact O-N 2.87Å; D410-D414 WeakPolarHBondContact O-CB 3.37Å; D410-D414 PolarHBondContact O-N 3.21Å |
| 411 | E | 56.8 | Low | 55.4 | Low | 136 Ų | 136 | 128.3 Ų | 128.3 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.3 | -19.1 | -179.8 | -164.2 | 171.4 | -169 | 0 | 0 | 113.6 | E409 | E409-E411 VanDerWaalsContact C-N 3.27Å; E409-E411 PolarHBondContact O-N 3.22Å |
| 412 | F | 56.4 | Low | 54 | Low | 166 Ų | 166 | 131 Ų | 131 | 73% | 0.728 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -91.4 | -24.7 | -179.9 | -154.3 | -92.9 | 0 | 0 | 0 | 113 | E409 D410 | E409-F412 PolarHBondContact O-N 3.39Å; E409-F412 VanDerWaalsContact O-N 3.1Å; D410-F412 VanDerWaalsContact C-N 3.32Å; D410-F412 PolarHBondContact O-N 2.87Å |
| 413 | F | 54.6 | Low | 52.6 | Low | 159 Ų | 159 | 139.3 Ų | 139.3 | 70% | 0.697 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -100 | -13 | 179.3 | -75.2 | -80.4 | 0 | 0 | 0 | 114.1 | E409 T415 | E409-F413 HydrophobicContact CG-CE2 4.39Å; E409-F413 WeakPolarHBondContact O-CD2 3.33Å; E409-F413 PolarHBondContact O-N 3.02Å; F413-T415 VanDerWaalsContact C-N 3.29Å; F413-T415 PolarHBondContact O-N 3.12Å |
| 414 | D | 53.8 | Low | 51.8 | Low | 134 Ų | 134 | 138.6 Ų | 138.6 | 72% | 0.717 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -5.8 | 176.7 | -112.7 | -4 | 0 | 0 | 0 | 114.5 | D410 | D410-D414 WeakPolarHBondContact O-CB 3.37Å; D410-D414 PolarHBondContact O-N 3.21Å |
| 415 | T | 49.2 | Very low | 50.9 | Low | 109 Ų | 109 | 145.4 Ų | 145.4 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -1.9 | -172.2 | 26.9 | 0 | 0 | 0 | 0 | 117.3 | F413 | F413-T415 VanDerWaalsContact C-N 3.29Å; F413-T415 PolarHBondContact O-N 3.12Å |
| 416 | D | 52 | Low | 49.9 | Very low | 150 Ų | 150 | 154 Ų | 154 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -120.9 | 7.6 | -169.5 | -81.4 | -17.2 | 0 | 0 | 0 | 117 | ||
| 417 | D | 50.5 | Low | 48.9 | Very low | 158 Ų | 158 | 159.1 Ų | 159.1 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -118.2 | 13.9 | -175.2 | -90.8 | -17.7 | 0 | 0 | 0 | 116.9 | ||
| 418 | D | 49.8 | Very low | 48.1 | Very low | 159 Ų | 159 | 161 Ų | 161 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -104 | 22.2 | -174.4 | -83.3 | -18.7 | 0 | 0 | 0 | 116.7 | ||
| 419 | E | 46.7 | Very low | 47.5 | Very low | 185 Ų | 185 | 159.3 Ų | 159.3 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -124.9 | 9.2 | -179 | -74 | -157.8 | 177 | 0 | 0 | 118.6 | ||
| 420 | E | 47.2 | Very low | 46.4 | Very low | 157 Ų | 157 | 164.1 Ų | 164.1 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -126.3 | 18.2 | -176.1 | -81.3 | -95.3 | 133.6 | 0 | 0 | 117.4 | R423 | E420-R423 IonicContact OE1-NH2 2.86Å; E420-R423 PolarHBondContact OE1-NH2 2.96Å |
| 421 | E | 43 | Very low | 45.6 | Very low | 193 Ų | 193 | 166.3 Ų | 166.3 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -116.3 | 7.3 | 175.9 | -94.8 | -169 | 173.6 | 0 | 0 | 117.8 | ||
| 422 | D | 41 | Very low | 44.7 | Very low | 170 Ų | 170 | 169.7 Ų | 169.7 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -101.9 | 32.9 | -179.1 | -83.4 | -18.6 | 0 | 0 | 0 | 115.5 | ||
| 423 | R | 42 | Very low | 43.7 | Very low | 197 Ų | 197 | 165.9 Ų | 165.9 | 74% | 0.743 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -121 | 15.9 | -177.8 | -85.7 | -158.8 | -64.6 | -103.6 | -3 | 118.8 | E420 | E420-R423 IonicContact OE1-NH2 2.86Å; E420-R423 PolarHBondContact OE1-NH2 2.96Å |
| 424 | E | 42.7 | Very low | 42.9 | Very low | 194 Ų | 194 | 171 Ų | 171 | 91% | 0.907 | 85% | 0.851 | S | S | * | * | S | Bend | trans | -128.8 | 3.2 | 176.1 | -76.7 | -163.8 | 161.8 | 0 | 0 | 118.4 | ||
| 425 | E | 39.4 | Very low | 42.4 | Very low | 201 Ų | 201 | 172.8 Ų | 172.8 | 94% | 0.939 | 86% | 0.858 | S | S | * | * | S | Bend | trans | -107 | 10.3 | -179.5 | -99.9 | -165.3 | 171.5 | 0 | 0 | 118 | ||
| 426 | E | 37.8 | Very low | 42 | Very low | 192 Ų | 192 | 176.2 Ų | 176.2 | 90% | 0.897 | 87% | 0.868 | S | S | * | * | trans | -115.3 | 76.6 | 173.1 | -102.4 | -168 | 164 | 0 | 0 | 113.5 | ||||
| 427 | L | 36.7 | Very low | 41.4 | Very low | 167 Ų | 167 | 177.6 Ų | 177.6 | 87% | 0.874 | 87% | 0.872 | S | S | * | * | trans | -149.2 | 73.4 | 152.2 | -148 | 76.7 | 0 | 0 | 0 | 113.1 | ||||
| 428 | K | 39.1 | Very low | 40.9 | Very low | 198 Ų | 198 | 178.8 Ų | 178.8 | 86% | 0.861 | 87% | 0.873 | S | S | * | * | trans | -112.9 | 112.3 | 152.7 | -86.9 | -178.6 | 179.8 | 169.7 | 0 | 108.8 | M430 | K428-M430 PolarHBondContact O-N 3.47Š| ||
| 429 | P | 43.5 | Very low | 40.4 | Very low | 115 Ų | 115 | 180 Ų | 180 | 75% | 0.747 | 88% | 0.875 | S | S | * | * | trans | -78 | 115.7 | 167.3 | 29.2 | -28 | 0 | 0 | 0 | 109.3 | I431 | P429-I431 PolarHBondContact O-N 3.14Š| ||
| 430 | M | 34.8 | Very low | 39.9 | Very low | 190 Ų | 190 | 179.7 Ų | 179.7 | 94% | 0.936 | 88% | 0.875 | S | S | * | * | trans | -58.3 | 121.9 | 157.6 | -75.2 | -169.7 | 170 | 0 | 0 | 109 | K428 | K428-M430 PolarHBondContact O-N 3.47Š| ||
| 431 | I | 40.8 | Very low | 39.4 | Very low | 162 Ų | 162 | 181.3 Ų | 181.3 | 83% | 0.831 | 89% | 0.885 | S | S | * | * | trans | -98.1 | 111.7 | 161 | -64.3 | 176.3 | 0 | 0 | 0 | 106.8 | P429 | P429-I431 PolarHBondContact O-N 3.14Š| ||
| 432 | K | 38 | Very low | 39.1 | Very low | 208 Ų | 208 | 180.4 Ų | 180.4 | 90% | 0.904 | 88% | 0.884 | S | S | * | * | trans | -125.8 | 119.4 | 159.6 | -166.3 | -176.2 | -173.8 | -177.6 | 0 | 107.7 | ||||
| 433 | A | 34.1 | Very low | 39 | Very low | 85 Ų | 85 | 181.3 Ų | 181.3 | 70% | 0.702 | 88% | 0.882 | S | S | * | * | trans | -174.7 | 136.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 434 | E | 38.8 | Very low | 38.7 | Very low | 266 Ų | 266 | 179.8 Ų | 179.8 | 100% | 1.243 | 90% | 0.895 | S | S | * | * | cis | -165.6 | 0 | 0.7 | -153.2 | 170.6 | -176.7 | 0 | 0 | 104.5 |
Retrieved 434 of 434 residues in 386.6 ms
(Link to these results)