| 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 | 33.7 | Very low | 32.8 | Very low | 236 Ų | 236 | 106.2 Ų | 106.2 | 100% | 1.163 | 50% | 0.499 | S | S | * | . | 0 | 83.5 | 0 | -79.6 | 174.2 | 141.4 | 0 | 0 | 107.6 | R3 | M1-R3 PolarHBondContact O-N 3.25Š| |||
| 2 | N | 27 | Very low | 32.7 | Very low | 137 Ų | 137 | 107.9 Ų | 107.9 | 73% | 0.733 | 51% | 0.506 | S | S | * | . | trans | -84.8 | 109.5 | -178.6 | -72.9 | -3.7 | 0 | 0 | 0 | 108.4 | H4 | N2-H4 PolarHBondContact O-N 3.3Š| ||
| 3 | R | 30 | Very low | 33.1 | Very low | 215 Ų | 215 | 106.6 Ų | 106.6 | 81% | 0.811 | 51% | 0.513 | S | S | * | . | trans | -76.9 | 99.5 | 163.4 | -63.8 | -178.2 | -176.1 | -172.4 | 1.8 | 105.4 | M1 L5 | M1-R3 PolarHBondContact O-N 3.25Å; R3-L5 PolarHBondContact O-N 3.06Å | ||
| 4 | H | 31.4 | Very low | 33.7 | Very low | 139 Ų | 139 | 105.1 Ų | 105.1 | 64% | 0.644 | 52% | 0.519 | S | S | * | . | trans | -75.7 | 101 | 168.8 | -69.2 | -69.6 | 0 | 0 | 0 | 106.4 | N2 C6 | N2-H4 PolarHBondContact O-N 3.3Å; H4-C6 PolarHBondContact O-N 3.28Å | ||
| 5 | L | 26.3 | Very low | 33.7 | Very low | 106 Ų | 106 | 109.1 Ų | 109.1 | 56% | 0.555 | 54% | 0.542 | S | S | * | . | trans | -88.7 | 90.4 | 179 | -161 | 106.6 | 0 | 0 | 0 | 106.4 | R3 V7 | R3-L5 PolarHBondContact O-N 3.06Å; L5-V7 HydrophobicContact CD2-CG2 3.75Å; L5-V7 HydrophobicContact CG-CG2 4.38Å | ||
| 6 | C | 34 | Very low | 33.5 | Very low | 35 Ų | 35 | 112.8 Ų | 112.8 | 24% | 0.236 | 56% | 0.564 | C | S | . | * | trans | -90.6 | 108.8 | 179.1 | -58.9 | 0 | 0 | 0 | 0 | 109.7 | H4 W8 L225 N226 | H4-C6 PolarHBondContact O-N 3.28Å; C6-W8 HydrophobicContact CB-CZ2 3.96Å; C6-W8 PolarHBondContact O-NE1 3.18Å; C6-L225 WeakPolarHBondContact CA-O 3.28Å; C6-L225 VanDerWaalsContact CB-O 3.26Å; C6-L225 WeakPolarHBondContact CB-O 3.35Å; C6-N226 PolarHBondContact SG-OD1 3.15Å | ||
| 7 | V | 29.2 | Very low | 33.2 | Very low | 43 Ų | 43 | 110.6 Ų | 110.6 | 26% | 0.261 | 58% | 0.577 | S | S | . | * | trans | -94.9 | 162.3 | 179.2 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | L5 I186 L225 | L5-V7 HydrophobicContact CD2-CG2 3.75Å; L5-V7 HydrophobicContact CG-CG2 4.38Å; V7-I186 HydrophobicContact CB-CG2 4.2Å; V7-I186 HydrophobicContact CG1-CB 4.24Å; V7-I186 HydrophobicContact CG1-CD1 3.64Å; V7-I186 HydrophobicContact CG1-CG1 3.67Å; V7-I186 HydrophobicContact CG1-CG2 3.51Å; V7-L225 VanDerWaalsContact C-CD1 3.44Å; V7-L225 HydrophobicContact CB-CB 4.04Å; V7-L225 HydrophobicContact CB-CD1 3.78Å; V7-L225 HydrophobicContact CB-CG 4.45Å; V7-L225 HydrophobicContact CG1-CD1 3.69Å; V7-L225 PolarHBondContact N-O 3.24Å; V7-L225 WeakPolarHBondContact O-CA 3.18Å; V7-L225 WeakPolarHBondContact O-CB 3.47Å; V7-L225 WeakPolarHBondContact O-CD1 3.28Å; V7-L225 WeakPolarHBondContact O-CG 3.49Å; V7-L225 PolarHBondContact O-N 3.12Å; V7-L225 VanDerWaalsContact O-N 3.1Å | ||
| 8 | W | 47.7 | Very low | 32.9 | Very low | 12 Ų | 12 | 117.3 Ų | 117.3 | 5% | 0.045 | 60% | 0.595 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -140.3 | 151.4 | -176.4 | -51.5 | 76.3 | 0 | 0 | 0 | 112 | C6 V185 I186 L187 F208 F222 L224 | C6-W8 HydrophobicContact CB-CZ2 3.96Å; C6-W8 PolarHBondContact O-NE1 3.18Å; W8-V185 CarbonylContact C-O 3.52Å; W8-I186 WeakPolarHBondContact O-CA 3.33Å; W8-I186 WeakPolarHBondContact O-CB 3.46Å; W8-I186 WeakPolarHBondContact O-CG1 3.35Å; W8-L187 HydrophobicContact CG-CB 4.48Å; W8-L187 PolarHBondContact NE1-O 3.42Å; W8-F208 HydrophobicContact CH2-CD2 4.12Å; W8-F208 AromaticContact CH2-CE2 3.07Å; W8-F208 HydrophobicContact CH2-CE2 3.07Å; W8-F208 AromaticContact CH2-CZ 3.61Å; W8-F208 HydrophobicContact CH2-CZ 3.61Å; W8-F208 HydrophobicContact CZ2-CD2 4.11Å; W8-F208 AromaticContact CZ2-CE2 3.47Å; W8-F208 HydrophobicContact CZ2-CE2 3.47Å; W8-F208 VanDerWaalsContact CZ2-CE2 3.47Å; W8-F208 HydrophobicContact CZ2-CZ 4.38Å; W8-F208 AromaticContact CZ3-CE2 3.68Å; W8-F208 HydrophobicContact CZ3-CE2 3.68Å; W8-F208 HydrophobicContact CZ3-CZ 4.08Å; W8-F222 HydrophobicContact CD2-CZ 4.49Å; W8-F222 HydrophobicContact CE3-CD1 4.49Å; W8-F222 HydrophobicContact CE3-CD2 4.45Å; W8-F222 AromaticContact CE3-CE1 3.87Å; W8-F222 HydrophobicContact CE3-CE1 3.87Å; W8-F222 AromaticContact CE3-CE2 3.8Å; W8-F222 HydrophobicContact CE3-CE2 3.8Å; W8-F222 AromaticContact CE3-CZ 3.49Å; W8-F222 HydrophobicContact CE3-CZ 3.49Å; W8-F222 VanDerWaalsContact CE3-CZ 3.49Å; W8-F222 HydrophobicContact CH2-CE1 4.23Å; W8-F222 HydrophobicContact CH2-CZ 4.02Å; W8-F222 HydrophobicContact CZ3-CD1 4.19Å; W8-F222 AromaticContact CZ3-CE1 3.3Å; W8-F222 HydrophobicContact CZ3-CE1 3.3Å; W8-F222 HydrophobicContact CZ3-CE2 4.01Å; W8-F222 AromaticContact CZ3-CZ 3.2Å; W8-F222 HydrophobicContact CZ3-CZ 3.2Å; W8-L224 HydrophobicContact CH2-CB 3.81Å; W8-L224 HydrophobicContact CH2-CD1 3.64Å; W8-L224 HydrophobicContact CH2-CG 3.38Å; W8-L224 HydrophobicContact CZ2-CG 4.33Å; W8-L224 HydrophobicContact CZ3-CB 3.58Å; W8-L224 HydrophobicContact CZ3-CD1 4.15Å; W8-L224 HydrophobicContact CZ3-CG 3.75Å |
| 9 | L | 29 | Very low | 33 | Very low | 66 Ų | 66 | 119.8 Ų | 119.8 | 35% | 0.346 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.1 | 117.2 | 175.3 | -108.3 | 147.5 | 0 | 0 | 0 | 108.9 | D184 L225 | L9-D184 HydrophobicContact CD2-CB 3.76Å; L9-D184 VanDerWaalsContact CD2-OD2 3.32Å; L9-D184 WeakPolarHBondContact CD2-OD2 3.39Å; L9-L225 HydrophobicContact CD1-CD1 4.32Å |
| 10 | F | 36.2 | Very low | 32.6 | Very low | 31 Ų | 31 | 122.3 Ų | 122.3 | 14% | 0.136 | 62% | 0.618 | C | S | . | * | trans | -99.1 | 90.4 | 176.4 | -80.3 | -73.8 | 0 | 0 | 0 | 112 | D184 V185 W220 Q221 F222 | F10-D184 WeakPolarHBondContact O-CA 3.29Å; F10-D184 WeakPolarHBondContact O-CB 3.5Å; F10-V185 HydrophobicContact CD2-CB 4.05Å; F10-V185 WeakPolarHBondContact CD2-O 3.39Å; F10-V185 PolarHBondContact N-O 3.16Å; F10-W220 HydrophobicContact CD1-CB 4.08Å; F10-W220 HydrophobicContact CD1-CE3 4.06Å; F10-W220 HydrophobicContact CE1-CE3 4.18Å; F10-Q221 WeakPolarHBondContact CD1-O 3.34Å; F10-F222 AromaticContact CE1-CD2 3.83Å; F10-F222 HydrophobicContact CE1-CD2 3.83Å; F10-F222 AromaticContact CZ-CD2 3.84Å; F10-F222 HydrophobicContact CZ-CD2 3.84Å; F10-F222 HydrophobicContact CZ-CE2 4.16Å | ||
| 11 | R | 35.8 | Very low | 32.4 | Very low | 148 Ų | 148 | 122.5 Ų | 122.5 | 56% | 0.558 | 63% | 0.63 | S | S | * | * | trans | -74.7 | 126.5 | 178.1 | -79.1 | -178.9 | -176 | -131.8 | 2.9 | 113.1 | D184 Q221 | R11-D184 WeakPolarHBondContact CA-OD1 3.25Å; R11-D184 WeakPolarHBondContact CG-OD2 3.39Å; R11-Q221 HydrophobicContact CB-CB 4.36Å | ||
| 12 | H | 32.1 | Very low | 31.9 | Very low | 127 Ų | 127 | 119.2 Ų | 119.2 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | trans | -72 | 126.5 | 168.7 | -169.5 | -76.4 | 0 | 0 | 0 | 110.8 | S14 | H12-S14 PolarHBondContact O-N 3Š| ||
| 13 | P | 38.3 | Very low | 32 | Very low | 91 Ų | 91 | 119.2 Ų | 119.2 | 59% | 0.591 | 61% | 0.61 | S | S | * | * | trans | -80.4 | 87.5 | 177.2 | 31.5 | -30.7 | 0 | 0 | 0 | 109.7 | ||||
| 14 | S | 40.4 | Very low | 31.7 | Very low | 85 Ų | 85 | 117 Ų | 117 | 59% | 0.594 | 61% | 0.608 | S | S | * | * | trans | -119.3 | 100.7 | 161 | 57.3 | 0 | 0 | 0 | 0 | 109.2 | H12 | H12-S14 PolarHBondContact O-N 3Š| ||
| 15 | L | 33.8 | Very low | 31.5 | Very low | 165 Ų | 165 | 118 Ų | 118 | 86% | 0.864 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 159.7 | 118.8 | 139.4 | -83.7 | 157.5 | 0 | 0 | 0 | 110.2 | ||
| 16 | N | 31.3 | Very low | 31.3 | Very low | 168 Ų | 168 | 120.5 Ų | 120.5 | 90% | 0.898 | 63% | 0.626 | S | S | * | * | trans | 21.7 | 125.2 | 156.2 | -77.6 | -11.8 | 0 | 0 | 0 | 120.3 | ||||
| 17 | G | 28.2 | Very low | 31.1 | Very low | 76 Ų | 76 | 123.8 Ų | 123.8 | 78% | 0.784 | 65% | 0.65 | S | S | * | * | trans | 155.4 | 123 | 150.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 18 | Y | 28.1 | Very low | 31 | Very low | 232 Ų | 232 | 130 Ų | 130 | 91% | 0.91 | 68% | 0.675 | S | S | * | * | trans | -43.8 | 145.8 | 176.6 | -83 | -105 | 0 | 0 | 0 | 116 | ||||
| 19 | L | 34.1 | Very low | 30.2 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 86% | 0.859 | 72% | 0.716 | S | S | * | * | trans | -29.2 | 130.4 | 165.9 | -72.4 | 143.4 | 0 | 0 | 0 | 116.8 | ||||
| 20 | Q | 25.6 | Very low | 30.1 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | -176.4 | 98.9 | 124.5 | -109.6 | 173.9 | -35.8 | 0 | 0 | 110.5 | H22 | Q20-H22 PolarHBondContact O-N 3.01Š| |||
| 21 | C | 27.8 | Very low | 29.6 | Very low | 126 Ų | 126 | 155 Ų | 155 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -83.7 | 93.5 | 170.1 | -70.2 | 0 | 0 | 0 | 0 | 109.8 | I23 | C21-I23 PolarHBondContact O-N 3.4Š| ||
| 22 | H | 23.5 | Very low | 29.3 | Very low | 167 Ų | 167 | 156.2 Ų | 156.2 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -76.5 | 100.8 | 157.4 | -91.6 | -77.3 | 0 | 0 | 0 | 108.4 | Q20 Q24 | Q20-H22 PolarHBondContact O-N 3.01Å; H22-Q24 PolarHBondContact O-N 3.27Å | ||
| 23 | I | 30.1 | Very low | 29.3 | Very low | 138 Ų | 138 | 157.9 Ų | 157.9 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | trans | -81.4 | 103.5 | 171.3 | -62 | 171.3 | 0 | 0 | 0 | 107.3 | C21 L25 | C21-I23 PolarHBondContact O-N 3.4Å; I23-L25 HydrophobicContact CG2-CD1 4.43Å; I23-L25 HydrophobicContact CG2-CG 3.97Å | ||
| 24 | Q | 23.9 | Very low | 29.2 | Very low | 167 Ų | 167 | 161.5 Ų | 161.5 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | trans | -96.3 | 98.5 | 168.8 | -155.2 | 160.1 | -22.5 | 0 | 0 | 108 | H22 H26 | H22-Q24 PolarHBondContact O-N 3.27Å; Q24-H26 PolarHBondContact O-N 3Å | ||
| 25 | L | 25.3 | Very low | 28.8 | Very low | 161 Ų | 161 | 164.8 Ų | 164.8 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -73.9 | 104.4 | 176.5 | -81.6 | 156.1 | 0 | 0 | 0 | 109.5 | I23 | I23-L25 HydrophobicContact CG2-CD1 4.43Å; I23-L25 HydrophobicContact CG2-CG 3.97Å | ||
| 26 | H | 23.8 | Very low | 28.7 | Very low | 158 Ų | 158 | 162.6 Ų | 162.6 | 73% | 0.731 | 81% | 0.81 | S | S | * | * | trans | -86.6 | 110.8 | 161.5 | -98.1 | -82.9 | 0 | 0 | 0 | 109.7 | Q24 H28 | Q24-H26 PolarHBondContact O-N 3Å; H26-H28 PolarHBondContact O-N 3.26Å | ||
| 27 | S | 28.3 | Very low | 29 | Very low | 105 Ų | 105 | 159.8 Ų | 159.8 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -73.1 | 115.1 | 171.8 | 54.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 28 | H | 28.1 | Very low | 29.3 | Very low | 172 Ų | 172 | 167.6 Ų | 167.6 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | -113 | 116 | 157.6 | -93.4 | -69.8 | 0 | 0 | 0 | 110.2 | H26 F30 | H26-H28 PolarHBondContact O-N 3.26Å; H28-F30 PolarHBondContact O-N 3.47Å | ||
| 29 | Q | 29.8 | Very low | 29.8 | Very low | 192 Ų | 192 | 162.3 Ų | 162.3 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61 | 119.9 | -179.7 | -69.6 | 171.2 | -36.6 | 0 | 0 | 111 | ||
| 30 | F | 27.4 | Very low | 29.7 | Very low | 206 Ų | 206 | 161.1 Ų | 161.1 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 124.8 | 159.3 | -100.4 | -88 | 0 | 0 | 0 | 109.9 | H28 | H28-F30 PolarHBondContact O-N 3.47Š|
| 31 | R | 25.7 | Very low | 30 | Very low | 237 Ų | 237 | 159 Ų | 159 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 132.7 | -177.6 | -70.5 | -178.7 | -177.3 | -172 | 0.6 | 111.2 | I33 | R31-I33 PolarHBondContact O-N 3.04Š|
| 32 | Q | 30.2 | Very low | 30.2 | Very low | 173 Ų | 173 | 161 Ų | 161 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60 | 124.4 | 169.2 | -79.9 | 166.1 | -71.4 | 0 | 0 | 110.5 | ||
| 33 | I | 32.3 | Very low | 30.8 | Very low | 163 Ų | 163 | 161.4 Ų | 161.4 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -104.4 | 126 | 154.1 | -62.3 | 176.1 | 0 | 0 | 0 | 106.8 | R31 | R31-I33 PolarHBondContact O-N 3.04Š| ||
| 34 | H | 35.1 | Very low | 30.8 | Very low | 166 Ų | 166 | 162.9 Ų | 162.9 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -74.4 | 116.9 | -171.9 | -146.9 | -84.7 | 0 | 0 | 0 | 109.5 | ||||
| 35 | L | 32.7 | Very low | 31.3 | Very low | 155 Ų | 155 | 158.9 Ų | 158.9 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | trans | -136.4 | 132.7 | 160.2 | -79.6 | 171.3 | 0 | 0 | 0 | 109.3 | ||||
| 36 | D | 31.8 | Very low | 31.8 | Very low | 119 Ų | 119 | 159.4 Ų | 159.4 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | -47.4 | 130.1 | -160.8 | -77.4 | -54.1 | 0 | 0 | 0 | 118.5 | R38 | D36-R38 PolarHBondContact O-N 3.11Š| ||
| 37 | T | 38.3 | Very low | 32.3 | Very low | 109 Ų | 109 | 158.1 Ų | 158.1 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | S | Bend | 35 | 19.4 | 123.3 | 24.2 | 0 | 0 | 0 | 0 | 122.8 | |||
| 38 | R | 33.9 | Very low | 32.6 | Very low | 240 Ų | 240 | 156 Ų | 156 | 91% | 0.906 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -116.9 | 0.9 | 161.7 | -74.4 | -169.8 | 173 | -170.4 | -0.7 | 114.7 | D36 | D36-R38 PolarHBondContact O-N 3.11Š|
| 39 | L | 38.6 | Very low | 33.1 | Very low | 121 Ų | 121 | 152.3 Ų | 152.3 | 63% | 0.634 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -94.2 | 7.5 | 175.4 | -73.8 | 167.7 | 0 | 0 | 0 | 114.1 | V41 R43 | L39-V41 VanDerWaalsContact C-N 3.3Å; L39-V41 PolarHBondContact O-N 3.07Å; L39-R43 PolarHBondContact O-N 2.97Å |
| 40 | Q | 31.5 | Very low | 33.3 | Very low | 138 Ų | 138 | 148.8 Ų | 148.8 | 65% | 0.645 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -77.1 | -16 | -176.7 | -144.7 | 166.1 | -2.4 | 0 | 0 | 113.3 | ||
| 41 | V | 32.2 | Very low | 33.5 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 76% | 0.758 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -80.8 | -23.1 | 176.6 | -177 | 0 | 0 | 0 | 0 | 112.5 | L39 | L39-V41 VanDerWaalsContact C-N 3.3Å; L39-V41 PolarHBondContact O-N 3.07Å |
| 42 | F | 32.1 | Very low | 33.9 | Very low | 168 Ų | 168 | 138.8 Ų | 138.8 | 74% | 0.737 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -100.6 | -12.7 | 179.1 | -100.2 | -86.7 | 0 | 0 | 0 | 114.8 | ||
| 43 | R | 35.3 | Very low | 34.3 | Very low | 176 Ų | 176 | 135.2 Ų | 135.2 | 66% | 0.664 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -77.8 | -22.2 | 178.4 | -88.3 | -170.3 | 173 | -175.9 | -0.3 | 114.5 | L39 N45 | L39-R43 PolarHBondContact O-N 2.97Å; R43-N45 VanDerWaalsContact C-N 3.27Å; R43-N45 PolarHBondContact O-N 3Å |
| 44 | Q | 30.2 | Very low | 34.4 | Very low | 169 Ų | 169 | 131.3 Ų | 131.3 | 79% | 0.79 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -10.9 | 177.9 | -82.1 | 176.4 | -16.5 | 0 | 0 | 113.9 | ||
| 45 | N | 34.1 | Very low | 34.5 | Very low | 84 Ų | 84 | 130.1 Ų | 130.1 | 45% | 0.449 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.7 | 7.3 | -176.7 | -117 | -6 | 0 | 0 | 0 | 115.1 | R43 C48 I49 | R43-N45 VanDerWaalsContact C-N 3.27Å; R43-N45 PolarHBondContact O-N 3Å; N45-C48 PolarHBondContact O-N 3.33Å; N45-C48 WeakPolarHBondContact OD1-CB 3.46Å; N45-C48 PolarHBondContact OD1-SG 3.09Å; N45-I49 WeakPolarHBondContact O-CD1 3.49Å; N45-I49 VanDerWaalsContact O-CG1 3.26Å; N45-I49 WeakPolarHBondContact O-CG1 3.43Å; N45-I49 PolarHBondContact O-N 3.25Å; N45-I49 VanDerWaalsContact O-N 3.1Å |
| 46 | R | 37.2 | Very low | 34.7 | Very low | 172 Ų | 172 | 129.6 Ų | 129.6 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.2 | -34.5 | 177.4 | -79.4 | -172.4 | 169.8 | -169 | -5.8 | 113.1 | L50 | R46-L50 PolarHBondContact O-N 3.26Å |
| 47 | N | 33.9 | Very low | 34.7 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77.1 | -30.6 | 175.8 | -70.2 | -10.1 | 0 | 0 | 0 | 112 | H51 | N47-H51 VanDerWaalsContact O-CB 3.27Å; N47-H51 WeakPolarHBondContact O-CB 3.23Å; N47-H51 PolarHBondContact O-N 3.47Å |
| 48 | C | 34.6 | Very low | 34.4 | Very low | 60 Ų | 60 | 131 Ų | 131 | 41% | 0.405 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -68.3 | -38.3 | 174.3 | -66.1 | 0 | 0 | 0 | 0 | 112.1 | N45 H51 L52 | N45-C48 PolarHBondContact O-N 3.33Å; N45-C48 WeakPolarHBondContact OD1-CB 3.46Å; N45-C48 PolarHBondContact OD1-SG 3.09Å; C48-H51 PolarHBondContact O-N 2.98Å; C48-L52 VanDerWaalsContact O-CB 3.24Å; C48-L52 WeakPolarHBondContact O-CB 3.28Å; C48-L52 WeakPolarHBondContact O-CD1 3.21Å; C48-L52 VanDerWaalsContact O-CG 3.3Å; C48-L52 WeakPolarHBondContact O-CG 3.28Å; C48-L52 PolarHBondContact O-N 3.47Å |
| 49 | I | 37.8 | Very low | 34.6 | Very low | 95 Ų | 95 | 131.7 Ų | 131.7 | 49% | 0.487 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.1 | -42.5 | 178.7 | -65 | 165 | 0 | 0 | 0 | 110.7 | N45 H51 L52 L53 | N45-I49 WeakPolarHBondContact O-CD1 3.49Å; N45-I49 VanDerWaalsContact O-CG1 3.26Å; N45-I49 WeakPolarHBondContact O-CG1 3.43Å; N45-I49 PolarHBondContact O-N 3.25Å; N45-I49 VanDerWaalsContact O-N 3.1Å; I49-H51 PolarHBondContact O-N 3.14Å; I49-L52 PolarHBondContact O-N 3.45Å; I49-L53 HydrophobicContact CG2-CD1 3.94Å; I49-L53 WeakPolarHBondContact O-CB 3.46Å; I49-L53 WeakPolarHBondContact O-CD1 3.33Å; I49-L53 WeakPolarHBondContact O-CG 3.36Å; I49-L53 PolarHBondContact O-N 2.88Å |
| 50 | L | 35.1 | Very low | 34.5 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 62% | 0.618 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.6 | -34.6 | 176.9 | -74.5 | 165.2 | 0 | 0 | 0 | 112.7 | R46 L53 S54 | R46-L50 PolarHBondContact O-N 3.26Å; L50-L53 PolarHBondContact O-N 3.42Å; L50-S54 PolarHBondContact O-N 3.17Å |
| 51 | H | 31.5 | Very low | 35.2 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 55% | 0.551 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.3 | -31.8 | 177.4 | -146.1 | -82.6 | 0 | 0 | 0 | 112.5 | N47 C48 I49 L53 S54 | N47-H51 VanDerWaalsContact O-CB 3.27Å; N47-H51 WeakPolarHBondContact O-CB 3.23Å; N47-H51 PolarHBondContact O-N 3.47Å; C48-H51 PolarHBondContact O-N 2.98Å; I49-H51 PolarHBondContact O-N 3.14Å; H51-L53 VanDerWaalsContact C-N 3.34Å; H51-S54 PolarHBondContact O-N 3.35Å; H51-S54 PolarHBondContact O-OG 3.05Å |
| 52 | L | 33.6 | Very low | 35.6 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 59% | 0.592 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.4 | -24.5 | 171.7 | -81.6 | 161.9 | 0 | 0 | 0 | 113.5 | C48 I49 | C48-L52 VanDerWaalsContact O-CB 3.24Å; C48-L52 WeakPolarHBondContact O-CB 3.28Å; C48-L52 WeakPolarHBondContact O-CD1 3.21Å; C48-L52 VanDerWaalsContact O-CG 3.3Å; C48-L52 WeakPolarHBondContact O-CG 3.28Å; C48-L52 PolarHBondContact O-N 3.47Å; I49-L52 PolarHBondContact O-N 3.45Å |
| 53 | L | 38.4 | Very low | 36.2 | Very low | 99 Ų | 99 | 136 Ų | 136 | 52% | 0.518 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -81.9 | -21.6 | 174.9 | -71.7 | 167.4 | 0 | 0 | 0 | 112.8 | I49 L50 H51 | I49-L53 HydrophobicContact CG2-CD1 3.94Å; I49-L53 WeakPolarHBondContact O-CB 3.46Å; I49-L53 WeakPolarHBondContact O-CD1 3.33Å; I49-L53 WeakPolarHBondContact O-CG 3.36Å; I49-L53 PolarHBondContact O-N 2.88Å; L50-L53 PolarHBondContact O-N 3.42Å; H51-L53 VanDerWaalsContact C-N 3.34Å |
| 54 | S | 35 | Very low | 37.1 | Very low | 80 Ų | 80 | 134.9 Ų | 134.9 | 56% | 0.559 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -89.6 | -16.4 | -177 | 73.9 | 0 | 0 | 0 | 0 | 115 | L50 H51 | L50-S54 PolarHBondContact O-N 3.17Å; H51-S54 PolarHBondContact O-N 3.35Å; H51-S54 PolarHBondContact O-OG 3.05Å |
| 55 | K | 36.7 | Very low | 39 | Very low | 142 Ų | 142 | 131 Ų | 131 | 62% | 0.617 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -130.4 | 106.2 | -176.9 | -73.7 | -178 | 177.3 | 179.7 | 0 | 110.2 | ||
| 56 | N | 37 | Very low | 41 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 77% | 0.77 | 61% | 0.608 | S | S | * | * | trans | 64.1 | 50.7 | 164.4 | -60.6 | -12 | 0 | 0 | 0 | 116.2 | S58 | N56-S58 PolarHBondContact O-N 3.06Š| ||
| 57 | W | 30.9 | Very low | 43 | Very low | 174 Ų | 174 | 122.3 Ų | 122.3 | 66% | 0.659 | 59% | 0.589 | S | S | * | * | trans | -77.2 | 79.4 | 139.7 | -83.8 | 34.3 | 0 | 0 | 0 | 107.2 | R59 | W57-R59 PolarHBondContact O-N 2.94Š| ||
| 58 | S | 33.5 | Very low | 45.4 | Very low | 84 Ų | 84 | 122.7 Ų | 122.7 | 59% | 0.587 | 59% | 0.589 | S | S | * | * | trans | -39.7 | 114.8 | 155.7 | -53.7 | 0 | 0 | 0 | 0 | 106.5 | N56 R60 | N56-S58 PolarHBondContact O-N 3.06Å; S58-R60 WeakPolarHBondContact O-CA 3.48Å; S58-R60 WeakPolarHBondContact O-CB 3.42Å; S58-R60 WeakPolarHBondContact O-CG 3.44Å; S58-R60 PolarHBondContact O-N 2.99Å | ||
| 59 | R | 37.7 | Very low | 47.7 | Very low | 253 Ų | 253 | 124.3 Ų | 124.3 | 96% | 0.955 | 59% | 0.593 | S | S | * | * | trans | -13 | 71.2 | 159.1 | -137.2 | -179.2 | -143.4 | -163.8 | 4 | 112.6 | W57 Y61 | W57-R59 PolarHBondContact O-N 2.94Å; R59-Y61 PolarHBondContact O-N 2.95Å; R59-Y61 VanDerWaalsContact O-N 3.12Å | ||
| 60 | R | 36.8 | Very low | 50 | Low | 179 Ų | 179 | 120 Ų | 120 | 68% | 0.675 | 57% | 0.571 | S | S | * | * | trans | -88.9 | 94.8 | -172.6 | -97.2 | -169.7 | -73.6 | -158.9 | 0.8 | 106.8 | S58 | S58-R60 WeakPolarHBondContact O-CA 3.48Å; S58-R60 WeakPolarHBondContact O-CB 3.42Å; S58-R60 WeakPolarHBondContact O-CG 3.44Å; S58-R60 PolarHBondContact O-N 2.99Å | ||
| 61 | Y | 46.1 | Very low | 52.4 | Low | 209 Ų | 209 | 121.2 Ų | 121.2 | 82% | 0.82 | 57% | 0.571 | S | S | * | * | trans | 45.5 | 89.8 | 155.9 | -72.7 | -90.6 | 0 | 0 | 0 | 116.3 | R59 | R59-Y61 PolarHBondContact O-N 2.95Å; R59-Y61 VanDerWaalsContact O-N 3.12Å | ||
| 62 | C | 40.9 | Very low | 55.2 | Low | 74 Ų | 74 | 121.1 Ų | 121.1 | 50% | 0.5 | 57% | 0.57 | S | S | . | * | trans | -77.9 | 121.9 | 151.8 | -157.1 | 0 | 0 | 0 | 0 | 107.3 | Q64 | C62-Q64 PolarHBondContact O-N 2.8Š| ||
| 63 | H | 44.9 | Very low | 58 | Low | 180 Ų | 180 | 123.8 Ų | 123.8 | 83% | 0.833 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -52.4 | 106.1 | 171.5 | -84.1 | -77.6 | 0 | 0 | 0 | 110.6 | ||
| 64 | Q | 53.6 | Low | 60.4 | Low | 153 Ų | 153 | 122 Ų | 122 | 72% | 0.715 | 58% | 0.577 | S | S | * | * | trans | -160.9 | 37.9 | 161.8 | -115.3 | 154.7 | -14.5 | 0 | 0 | 110.5 | C62 T66 | C62-Q64 PolarHBondContact O-N 2.8Å; Q64-T66 PolarHBondContact O-N 2.95Å; Q64-T66 VanDerWaalsContact O-N 3.1Å | ||
| 65 | D | 69.1 | Low | 63 | Low | 88 Ų | 88 | 119.6 Ų | 119.6 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | trans | -82.4 | 80.4 | 161.7 | -160.5 | -9.8 | 0 | 0 | 0 | 107.2 | K67 M68 L69 | D65-K67 PolarHBondContact O-N 3.25Å; D65-K67 VanDerWaalsContact OD1-CB 3.25Å; D65-K67 WeakPolarHBondContact OD1-CB 3.38Å; D65-K67 PolarHBondContact OD1-N 3.29Å; D65-M68 HydrophobicContact CB-CB 4.13Å; D65-M68 HydrophobicContact CB-CG 4.13Å; D65-M68 WeakPolarHBondContact O-CA 3.26Å; D65-M68 WeakPolarHBondContact O-CB 3.47Å; D65-M68 PolarHBondContact O-N 3.03Å; D65-L69 PolarHBondContact O-N 3.44Å | ||
| 66 | T | 75.9 | Confident | 65.6 | Low | 13 Ų | 13 | 116 Ų | 116 | 8% | 0.08 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -58.5 | -25.5 | 178.3 | 45.5 | 0 | 0 | 0 | 0 | 111.3 | Q64 L69 W70 N168 F171 | Q64-T66 PolarHBondContact O-N 2.95Å; Q64-T66 VanDerWaalsContact O-N 3.1Å; T66-L69 PolarHBondContact O-N 3.08Å; T66-W70 WeakPolarHBondContact O-CB 2.92Å; T66-W70 PolarHBondContact O-N 3.07Å; T66-N168 WeakPolarHBondContact CB-OD1 3.38Å; T66-N168 WeakPolarHBondContact CG2-OD1 3.27Å; T66-N168 PolarHBondContact OG1-OD1 3.14Å; T66-F171 HydrophobicContact CG2-CD2 3.58Å; T66-F171 HydrophobicContact CG2-CE2 4.01Å; T66-F171 HydrophobicContact CG2-CG 4.46Å; T66-F171 WeakPolarHBondContact O-CE2 3.48Å |
| 67 | K | 80.3 | Confident | 68.3 | Low | 60 Ų | 60 | 115.4 Ų | 115.4 | 26% | 0.261 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 169 | -165.8 | 168 | -171.5 | 161.9 | 0 | 112.5 | D65 K71 D160 Y167 | D65-K67 PolarHBondContact O-N 3.25Å; D65-K67 VanDerWaalsContact OD1-CB 3.25Å; D65-K67 WeakPolarHBondContact OD1-CB 3.38Å; D65-K67 PolarHBondContact OD1-N 3.29Å; K67-K71 VanDerWaalsContact O-CG 3.3Å; K67-K71 WeakPolarHBondContact O-CG 3.24Å; K67-K71 PolarHBondContact O-N 2.99Å; K67-D160 IonicContact NZ-OD1 3.49Å; K67-D160 PolarHBondContact NZ-OD1 3.49Å; K67-Y167 HydrophobicContact CB-CD2 4.28Å; K67-Y167 HydrophobicContact CB-CE2 4.22Å; K67-Y167 HydrophobicContact CG-CE2 4.04Å |
| 68 | M | 83.3 | Confident | 71.2 | Confident | 140 Ų | 140 | 112.8 Ų | 112.8 | 69% | 0.69 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.6 | -40.5 | 174.4 | -80.3 | -148.8 | 164.1 | 0 | 0 | 112.7 | D65 W70 K71 | D65-M68 HydrophobicContact CB-CB 4.13Å; D65-M68 HydrophobicContact CB-CG 4.13Å; D65-M68 WeakPolarHBondContact O-CA 3.26Å; D65-M68 WeakPolarHBondContact O-CB 3.47Å; D65-M68 PolarHBondContact O-N 3.03Å; M68-W70 VanDerWaalsContact C-N 3.33Å; M68-K71 PolarHBondContact O-N 3.12Å |
| 69 | L | 83.1 | Confident | 74 | Confident | 93 Ų | 93 | 108.9 Ų | 108.9 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 176.9 | -68.7 | 171.9 | 0 | 0 | 0 | 111.2 | D65 T66 K71 H72 L75 F171 | D65-L69 PolarHBondContact O-N 3.44Å; T66-L69 PolarHBondContact O-N 3.08Å; L69-K71 VanDerWaalsContact C-N 3.35Å; L69-K71 PolarHBondContact O-N 2.79Å; L69-H72 WeakPolarHBondContact O-CB 3.43Å; L69-H72 PolarHBondContact O-N 3.33Å; L69-H72 VanDerWaalsContact O-N 3.15Å; L69-L75 WeakPolarHBondContact O-CD2 3.4Å; L69-F171 HydrophobicContact CB-CE1 3.95Å; L69-F171 HydrophobicContact CB-CE2 4Å; L69-F171 HydrophobicContact CB-CZ 3.37Å; L69-F171 HydrophobicContact CD1-CE1 4.42Å; L69-F171 HydrophobicContact CD1-CZ 4.36Å |
| 70 | W | 85.9 | Confident | 76.6 | Confident | 6 Ų | 6 | 100.9 Ų | 100.9 | 2% | 0.023 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -57.5 | -45.5 | 175.2 | 177.4 | -112.1 | 0 | 0 | 0 | 112.8 | T66 M68 H72 L75 Q76 M79 Y120 I123 E127 Y167 L170 | T66-W70 WeakPolarHBondContact O-CB 2.92Å; T66-W70 PolarHBondContact O-N 3.07Å; M68-W70 VanDerWaalsContact C-N 3.33Å; W70-H72 PolarHBondContact O-N 3.49Å; W70-L75 HydrophobicContact CE3-CD2 4.09Å; W70-Q76 WeakPolarHBondContact O-CG 3.3Å; W70-M79 HydrophobicContact CH2-CG 4.42Å; W70-M79 HydrophobicContact CZ3-CG 4.01Å; W70-Y120 AromaticContact CH2-CD2 3.7Å; W70-Y120 HydrophobicContact CH2-CD2 3.7Å; W70-Y120 AromaticContact CH2-CE2 3.58Å; W70-Y120 HydrophobicContact CH2-CE2 3.58Å; W70-Y120 HydrophobicContact CZ2-CE2 4.28Å; W70-Y120 HydrophobicContact CZ3-CD2 4.48Å; W70-I123 HydrophobicContact CH2-CD1 4.44Å; W70-I123 HydrophobicContact CH2-CG2 4.09Å; W70-I123 HydrophobicContact CZ2-CG2 3.55Å; W70-E127 PolarHBondContact NE1-OE1 3.36Å; W70-Y167 HydrophobicContact CB-CD1 3.98Å; W70-Y167 HydrophobicContact CB-CD2 4.43Å; W70-Y167 HydrophobicContact CB-CE1 3.88Å; W70-Y167 HydrophobicContact CB-CE2 4.32Å; W70-Y167 HydrophobicContact CB-CG 4.27Å; W70-Y167 AromaticContact CD1-CE1 3.25Å; W70-Y167 AromaticContact CD1-CZ 3.21Å; W70-Y167 AromaticContact CD2-CD1 3.92Å; W70-Y167 HydrophobicContact CD2-CD1 3.92Å; W70-Y167 AromaticContact CD2-CE1 3.51Å; W70-Y167 HydrophobicContact CD2-CE1 3.51Å; W70-Y167 AromaticContact CE2-CE1 3.61Å; W70-Y167 HydrophobicContact CE3-CD1 4.33Å; W70-Y167 HydrophobicContact CE3-CE1 4.31Å; W70-Y167 AromaticContact CG-CD1 3.75Å; W70-Y167 HydrophobicContact CG-CD1 3.75Å; W70-Y167 AromaticContact CG-CE1 3.26Å; W70-Y167 HydrophobicContact CG-CE1 3.26Å; W70-Y167 HydrophobicContact CG-CE2 4.33Å; W70-Y167 HydrophobicContact CG-CG 4.48Å; W70-Y167 AromaticContact CG-CZ 3.58Å; W70-Y167 HydrophobicContact CZ2-CE1 4.42Å; W70-Y167 AromaticContact NE1-CE1 3.43Å; W70-Y167 AromaticContact NE1-CZ 3.66Å; W70-Y167 PolarHBondContact NE1-OH 3.02Å; W70-L170 HydrophobicContact CE3-CD2 3.83Å; W70-L170 HydrophobicContact CH2-CD2 4.24Å; W70-L170 HydrophobicContact CZ3-CD2 3.34Å |
| 71 | K | 86.5 | Confident | 79.3 | Confident | 143 Ų | 143 | 96.2 Ų | 96.2 | 62% | 0.622 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -9.2 | 178.8 | -73.1 | 177.3 | 178.9 | -169.9 | 0 | 114.1 | K67 M68 L69 K73 | K67-K71 VanDerWaalsContact O-CG 3.3Å; K67-K71 WeakPolarHBondContact O-CG 3.24Å; K67-K71 PolarHBondContact O-N 2.99Å; M68-K71 PolarHBondContact O-N 3.12Å; L69-K71 VanDerWaalsContact C-N 3.35Å; L69-K71 PolarHBondContact O-N 2.79Å; K71-K73 PolarHBondContact O-N 3.35Å |
| 72 | H | 90.9 | Very high | 81.5 | Confident | 117 Ų | 117 | 86.9 Ų | 86.9 | 54% | 0.542 | 42% | 0.423 | S | S | . | . | trans | -71.9 | 119.7 | 179.1 | -166.7 | -88 | 0 | 0 | 0 | 111.2 | L69 W70 A74 L75 Q76 | L69-H72 WeakPolarHBondContact O-CB 3.43Å; L69-H72 PolarHBondContact O-N 3.33Å; L69-H72 VanDerWaalsContact O-N 3.15Å; W70-H72 PolarHBondContact O-N 3.49Å; H72-A74 WeakPolarHBondContact ND1-CB 3.19Å; H72-A74 PolarHBondContact ND1-N 3.42Å; H72-A74 PolarHBondContact O-N 3.38Å; H72-L75 WeakPolarHBondContact O-CB 3.34Å; H72-L75 PolarHBondContact O-N 3.28Å; H72-Q76 PolarHBondContact O-N 2.84Å | ||
| 73 | K | 90.7 | Very high | 83.9 | Confident | 169 Ų | 169 | 84.5 Ų | 84.5 | 74% | 0.735 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -51.1 | -36.7 | -176.2 | -174.2 | 176.2 | -177.2 | 175 | 0 | 114.5 | K71 L75 K77 | K71-K73 PolarHBondContact O-N 3.35Å; K73-L75 VanDerWaalsContact C-N 3.33Å; K73-L75 PolarHBondContact O-N 3.38Å; K73-K77 WeakPolarHBondContact O-CB 3.49Å; K73-K77 PolarHBondContact O-N 2.82Å |
| 74 | A | 90.4 | Very high | 86.3 | Confident | 62 Ų | 62 | 81.6 Ų | 81.6 | 51% | 0.512 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.3 | -35.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | H72 Y78 | H72-A74 WeakPolarHBondContact ND1-CB 3.19Å; H72-A74 PolarHBondContact ND1-N 3.42Å; H72-A74 PolarHBondContact O-N 3.38Å; A74-Y78 WeakPolarHBondContact O-CB 3.4Å; A74-Y78 PolarHBondContact O-N 3.49Å |
| 75 | L | 89.7 | Confident | 88.2 | Confident | 29 Ų | 29 | 77.1 Ų | 77.1 | 15% | 0.152 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72 | -45.4 | 179.2 | -178 | 67.8 | 0 | 0 | 0 | 110.7 | L69 W70 H72 K73 K77 Y78 M79 F171 L174 | L69-L75 WeakPolarHBondContact O-CD2 3.4Å; W70-L75 HydrophobicContact CE3-CD2 4.09Å; H72-L75 WeakPolarHBondContact O-CB 3.34Å; H72-L75 PolarHBondContact O-N 3.28Å; K73-L75 VanDerWaalsContact C-N 3.33Å; K73-L75 PolarHBondContact O-N 3.38Å; L75-K77 VanDerWaalsContact C-N 3.33Å; L75-K77 PolarHBondContact O-N 3.31Å; L75-Y78 WeakPolarHBondContact O-CB 3.4Å; L75-Y78 PolarHBondContact O-N 2.82Å; L75-Y78 VanDerWaalsContact O-N 3.11Å; L75-M79 HydrophobicContact CD1-CE 4.08Å; L75-M79 WeakPolarHBondContact O-CG 3.07Å; L75-M79 PolarHBondContact O-N 2.88Å; L75-F171 HydrophobicContact CD2-CE1 3.51Å; L75-F171 HydrophobicContact CD2-CZ 3.42Å; L75-F171 VanDerWaalsContact CD2-CZ 3.42Å; L75-L174 HydrophobicContact CD1-CD1 4.02Å |
| 76 | Q | 90.1 | Very high | 89.3 | Confident | 67 Ų | 67 | 75.4 Ų | 75.4 | 31% | 0.313 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.2 | -48.2 | 174.7 | -67.8 | 179.7 | -28.7 | 0 | 0 | 111.2 | W70 H72 Y78 M79 E80 | W70-Q76 WeakPolarHBondContact O-CG 3.3Å; H72-Q76 PolarHBondContact O-N 2.84Å; Q76-Y78 VanDerWaalsContact C-N 3.3Å; Q76-Y78 PolarHBondContact O-N 3.35Å; Q76-M79 PolarHBondContact O-N 2.93Å; Q76-M79 VanDerWaalsContact O-N 3.16Å; Q76-E80 WeakPolarHBondContact O-CG 3.34Å; Q76-E80 PolarHBondContact O-N 2.99Å |
| 77 | K | 93.5 | Very high | 90.1 | Very high | 130 Ų | 130 | 79.5 Ų | 79.5 | 57% | 0.565 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.6 | -38.4 | 176.5 | -172.3 | 177.6 | -179 | -177.7 | 0 | 112.7 | K73 L75 N81 | K73-K77 WeakPolarHBondContact O-CB 3.49Å; K73-K77 PolarHBondContact O-N 2.82Å; L75-K77 VanDerWaalsContact C-N 3.33Å; L75-K77 PolarHBondContact O-N 3.31Å; K77-N81 PolarHBondContact O-N 3.19Å; K77-N81 VanDerWaalsContact O-N 3.11Å; K77-N81 PolarHBondContact O-ND2 2.96Å |
| 78 | Y | 92.1 | Very high | 90.6 | Very high | 120 Ų | 120 | 80 Ų | 80 | 47% | 0.471 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 176.2 | 177.2 | -106.1 | 0 | 0 | 0 | 111.4 | A74 L75 Q76 N81 L82 L174 | A74-Y78 WeakPolarHBondContact O-CB 3.4Å; A74-Y78 PolarHBondContact O-N 3.49Å; L75-Y78 WeakPolarHBondContact O-CB 3.4Å; L75-Y78 PolarHBondContact O-N 2.82Å; L75-Y78 VanDerWaalsContact O-N 3.11Å; Q76-Y78 VanDerWaalsContact C-N 3.3Å; Q76-Y78 PolarHBondContact O-N 3.35Å; Y78-N81 WeakPolarHBondContact O-CB 3.18Å; Y78-N81 PolarHBondContact O-N 2.87Å; Y78-L82 HydrophobicContact CD1-CD1 3.99Å; Y78-L82 HydrophobicContact CE1-CD1 3.37Å; Y78-L82 HydrophobicContact CE1-CG 4.15Å; Y78-L82 HydrophobicContact CE2-CD1 4.4Å; Y78-L82 HydrophobicContact CE2-CG 4.4Å; Y78-L82 PolarHBondContact O-N 3.37Å; Y78-L174 HydrophobicContact CD1-CD2 4.48Å; Y78-L174 HydrophobicContact CE1-CD2 3.81Å |
| 79 | M | 92.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 176.8 | -68.5 | -65.7 | 171.7 | 0 | 0 | 112.9 | W70 L75 Q76 N81 L82 S83 L116 Y120 L170 L174 | W70-M79 HydrophobicContact CH2-CG 4.42Å; W70-M79 HydrophobicContact CZ3-CG 4.01Å; L75-M79 HydrophobicContact CD1-CE 4.08Å; L75-M79 WeakPolarHBondContact O-CG 3.07Å; L75-M79 PolarHBondContact O-N 2.88Å; Q76-M79 PolarHBondContact O-N 2.93Å; Q76-M79 VanDerWaalsContact O-N 3.16Å; M79-N81 VanDerWaalsContact C-N 3.26Å; M79-N81 PolarHBondContact O-N 3.07Å; M79-L82 PolarHBondContact O-N 3.41Å; M79-S83 WeakPolarHBondContact O-CB 3.32Å; M79-S83 PolarHBondContact O-N 3.12Å; M79-L116 HydrophobicContact SD-CD2 3.98Å; M79-Y120 HydrophobicContact CB-CD2 3.62Å; M79-Y120 HydrophobicContact CB-CE2 3.39Å; M79-Y120 HydrophobicContact CB-CG 4.49Å; M79-Y120 HydrophobicContact CG-CD2 4.1Å; M79-Y120 HydrophobicContact CG-CE2 4.21Å; M79-Y120 HydrophobicContact SD-CD2 4.41Å; M79-L170 HydrophobicContact CE-CD1 3.82Å; M79-L170 HydrophobicContact CE-CD2 3.6Å; M79-L170 HydrophobicContact CE-CG 3.74Å; M79-L170 HydrophobicContact SD-CD1 4.1Å; M79-L170 HydrophobicContact SD-CD2 4.28Å; M79-L174 HydrophobicContact CE-CD1 3.41Å; M79-L174 VanDerWaalsContact CE-CD1 3.41Å; M79-L174 HydrophobicContact CE-CD2 3.49Å; M79-L174 VanDerWaalsContact CE-CD2 3.49Å; M79-L174 HydrophobicContact CE-CG 3.65Å |
| 80 | E | 92.7 | Very high | 91.1 | Very high | 85 Ų | 85 | 73.3 Ų | 73.3 | 40% | 0.397 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.6 | -40.5 | 173.5 | -73.9 | 172.6 | -163.8 | 0 | 0 | 111.9 | Q76 S83 K84 | Q76-E80 WeakPolarHBondContact O-CG 3.34Å; Q76-E80 PolarHBondContact O-N 2.99Å; E80-S83 PolarHBondContact O-N 2.67Å; E80-K84 WeakPolarHBondContact O-CB 3.37Å; E80-K84 VanDerWaalsContact O-CG 3.29Å; E80-K84 WeakPolarHBondContact O-CG 3.08Å; E80-K84 PolarHBondContact O-N 3.39Å |
| 81 | N | 94.3 | Very high | 91.2 | Very high | 80 Ų | 80 | 78.5 Ų | 78.5 | 43% | 0.428 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 177.2 | -69.5 | -19.3 | 0 | 0 | 0 | 111.7 | K77 Y78 M79 K84 E85 | K77-N81 PolarHBondContact O-N 3.19Å; K77-N81 VanDerWaalsContact O-N 3.11Å; K77-N81 PolarHBondContact O-ND2 2.96Å; Y78-N81 WeakPolarHBondContact O-CB 3.18Å; Y78-N81 PolarHBondContact O-N 2.87Å; M79-N81 VanDerWaalsContact C-N 3.26Å; M79-N81 PolarHBondContact O-N 3.07Å; N81-K84 PolarHBondContact O-N 3.47Å; N81-E85 WeakPolarHBondContact O-CB 3.02Å; N81-E85 PolarHBondContact O-N 2.91Å |
| 82 | L | 91.6 | Very high | 91.2 | Very high | 13 Ų | 13 | 73.7 Ų | 73.7 | 7% | 0.068 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 176.4 | -71.1 | -177.7 | 0 | 0 | 0 | 112 | Y78 M79 E85 Y86 L113 L116 | Y78-L82 HydrophobicContact CD1-CD1 3.99Å; Y78-L82 HydrophobicContact CE1-CD1 3.37Å; Y78-L82 HydrophobicContact CE1-CG 4.15Å; Y78-L82 HydrophobicContact CE2-CD1 4.4Å; Y78-L82 HydrophobicContact CE2-CG 4.4Å; Y78-L82 PolarHBondContact O-N 3.37Å; M79-L82 PolarHBondContact O-N 3.41Å; L82-E85 WeakPolarHBondContact O-CB 3.44Å; L82-E85 PolarHBondContact O-N 2.79Å; L82-Y86 WeakPolarHBondContact O-CB 2.98Å; L82-Y86 PolarHBondContact O-N 3.41Å; L82-L113 HydrophobicContact CD2-CD2 4.08Å; L82-L116 HydrophobicContact CB-CD2 4.19Å; L82-L116 HydrophobicContact CD1-CD2 3.55Å |
| 83 | S | 92.3 | Very high | 90.9 | Very high | 25 Ų | 25 | 70.7 Ų | 70.7 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 174.5 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | M79 E80 Y86 Q87 | M79-S83 WeakPolarHBondContact O-CB 3.32Å; M79-S83 PolarHBondContact O-N 3.12Å; E80-S83 PolarHBondContact O-N 2.67Å; S83-Y86 WeakPolarHBondContact O-CB 3.39Å; S83-Y86 PolarHBondContact O-N 2.67Å; S83-Q87 WeakPolarHBondContact O-CG 3.39Å; S83-Q87 PolarHBondContact O-N 3.03Å |
| 84 | K | 93.7 | Very high | 90.5 | Very high | 119 Ų | 119 | 68.8 Ų | 68.8 | 52% | 0.517 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 173.7 | -74.2 | 169.4 | -176 | 167 | 0 | 111.9 | E80 N81 Y86 Q87 T88 | E80-K84 WeakPolarHBondContact O-CB 3.37Å; E80-K84 VanDerWaalsContact O-CG 3.29Å; E80-K84 WeakPolarHBondContact O-CG 3.08Å; E80-K84 PolarHBondContact O-N 3.39Å; N81-K84 PolarHBondContact O-N 3.47Å; K84-Y86 VanDerWaalsContact C-N 3.33Å; K84-Y86 PolarHBondContact O-N 3.47Å; K84-Q87 PolarHBondContact O-N 3.25Å; K84-T88 VanDerWaalsContact O-CG2 3.3Å; K84-T88 WeakPolarHBondContact O-CG2 3.25Å; K84-T88 PolarHBondContact O-N 3.29Å; K84-T88 PolarHBondContact O-OG1 3.28Å |
| 85 | E | 93.1 | Very high | 89.6 | Confident | 59 Ų | 59 | 72.9 Ų | 72.9 | 28% | 0.276 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56.2 | -50.3 | 175 | -171.4 | -172.7 | 160.8 | 0 | 0 | 110.1 | N81 L82 Q87 T88 L89 R109 L113 | N81-E85 WeakPolarHBondContact O-CB 3.02Å; N81-E85 PolarHBondContact O-N 2.91Å; L82-E85 WeakPolarHBondContact O-CB 3.44Å; L82-E85 PolarHBondContact O-N 2.79Å; E85-Q87 PolarHBondContact O-N 3.5Å; E85-T88 WeakPolarHBondContact CA-OG1 3.32Å; E85-T88 PolarHBondContact O-N 3.44Å; E85-T88 PolarHBondContact O-OG1 3.24Å; E85-L89 HydrophobicContact CG-CD1 4.25Å; E85-L89 VanDerWaalsContact O-CG 3.29Å; E85-L89 WeakPolarHBondContact O-CG 3.39Å; E85-L89 PolarHBondContact O-N 3.48Å; E85-R109 IonicContact OE1-CZ 3.93Å; E85-R109 IonicContact OE1-NE 3.88Å; E85-R109 PolarHBondContact OE1-NE 3.3Å; E85-R109 IonicContact OE1-NH2 3.05Å; E85-R109 PolarHBondContact OE1-NH2 2.93Å; E85-R109 VanDerWaalsContact OE1-NH2 3.08Å; E85-R109 IonicContact OE2-NH2 3.92Å; E85-R109 PolarHBondContact OE2-NH2 3.45Å; E85-R109 VanDerWaalsContact OE2-NH2 3.08Å; E85-L113 HydrophobicContact CB-CD1 4.35Å; E85-L113 HydrophobicContact CG-CD1 4.02Å |
| 86 | Y | 93.4 | Very high | 88.5 | Confident | 51 Ų | 51 | 76 Ų | 76 | 20% | 0.2 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55 | -49 | 177.7 | -179.7 | -97.6 | 0 | 0 | 0 | 112.6 | L82 S83 K84 T88 L89 E90 H110 L113 A114 A117 | L82-Y86 WeakPolarHBondContact O-CB 2.98Å; L82-Y86 PolarHBondContact O-N 3.41Å; S83-Y86 WeakPolarHBondContact O-CB 3.39Å; S83-Y86 PolarHBondContact O-N 2.67Å; K84-Y86 VanDerWaalsContact C-N 3.33Å; K84-Y86 PolarHBondContact O-N 3.47Å; Y86-T88 PolarHBondContact O-N 3.28Å; Y86-L89 WeakPolarHBondContact O-CB 3.36Å; Y86-L89 PolarHBondContact O-N 2.93Å; Y86-E90 PolarHBondContact O-N 3.43Å; Y86-H110 AromaticContact CE2-CD2 3.74Å; Y86-H110 AromaticContact CE2-CE1 3.59Å; Y86-H110 AromaticContact CE2-NE2 3.41Å; Y86-H110 WeakPolarHBondContact CE2-NE2 3.35Å; Y86-H110 AromaticContact CZ-CE1 3.76Å; Y86-H110 AromaticContact CZ-NE2 3.5Å; Y86-H110 PolarHBondContact OH-CE1 3.49Å; Y86-H110 PolarHBondContact OH-NE2 3Å; Y86-L113 HydrophobicContact CD2-CB 3.95Å; Y86-A114 HydrophobicContact CE2-CB 4.09Å; Y86-A117 HydrophobicContact CD1-CB 3.93Å; Y86-A117 HydrophobicContact CD2-CB 4.03Å; Y86-A117 HydrophobicContact CE1-CB 4.24Å; Y86-A117 HydrophobicContact CE2-CB 4.32Å; Y86-A117 HydrophobicContact CG-CB 3.83Å |
| 87 | Q | 91.5 | Very high | 87.3 | Confident | 99 Ų | 99 | 79.1 Ų | 79.1 | 46% | 0.463 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 177.5 | -70.8 | 176.6 | -11.2 | 0 | 0 | 112.7 | S83 K84 E85 L89 E90 Q91 | S83-Q87 WeakPolarHBondContact O-CG 3.39Å; S83-Q87 PolarHBondContact O-N 3.03Å; K84-Q87 PolarHBondContact O-N 3.25Å; E85-Q87 PolarHBondContact O-N 3.5Å; Q87-L89 VanDerWaalsContact C-N 3.33Å; Q87-L89 PolarHBondContact O-N 3.09Å; Q87-E90 PolarHBondContact O-N 3.49Å; Q87-Q91 WeakPolarHBondContact O-CG 3.28Å; Q87-Q91 PolarHBondContact O-N 3.44Å |
| 88 | T | 90.8 | Very high | 85.9 | Confident | 70 Ų | 70 | 74.4 Ų | 74.4 | 43% | 0.429 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 177.4 | 58.1 | 0 | 0 | 0 | 0 | 112 | K84 E85 Y86 Q91 C92 | K84-T88 VanDerWaalsContact O-CG2 3.3Å; K84-T88 WeakPolarHBondContact O-CG2 3.25Å; K84-T88 PolarHBondContact O-N 3.29Å; K84-T88 PolarHBondContact O-OG1 3.28Å; E85-T88 WeakPolarHBondContact CA-OG1 3.32Å; E85-T88 PolarHBondContact O-N 3.44Å; E85-T88 PolarHBondContact O-OG1 3.24Å; Y86-T88 PolarHBondContact O-N 3.28Å; T88-Q91 PolarHBondContact O-N 3.06Å; T88-C92 WeakPolarHBondContact O-CB 3.49Å; T88-C92 PolarHBondContact O-N 3.43Å; T88-C92 PolarHBondContact O-SG 2.91Å |
| 89 | L | 89.1 | Confident | 84.9 | Confident | 16 Ų | 16 | 73.9 Ų | 73.9 | 8% | 0.084 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 175.7 | -67.5 | 172.5 | 0 | 0 | 0 | 111.1 | E85 Y86 Q87 Q91 C92 L93 L106 R109 L113 | E85-L89 HydrophobicContact CG-CD1 4.25Å; E85-L89 VanDerWaalsContact O-CG 3.29Å; E85-L89 WeakPolarHBondContact O-CG 3.39Å; E85-L89 PolarHBondContact O-N 3.48Å; Y86-L89 WeakPolarHBondContact O-CB 3.36Å; Y86-L89 PolarHBondContact O-N 2.93Å; Q87-L89 VanDerWaalsContact C-N 3.33Å; Q87-L89 PolarHBondContact O-N 3.09Å; L89-Q91 PolarHBondContact O-N 3.42Å; L89-C92 PolarHBondContact O-N 3.33Å; L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.29Å; L89-L93 PolarHBondContact O-N 2.96Å; L89-L106 HydrophobicContact CD2-CD2 3.33Å; L89-R109 HydrophobicContact CD1-CB 4.17Å; L89-R109 HydrophobicContact CD1-CG 3.68Å; L89-L113 HydrophobicContact CD1-CD1 3.96Å |
| 90 | E | 88.8 | Confident | 84 | Confident | 77 Ų | 77 | 79 Ų | 79 | 36% | 0.36 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59 | -46 | 176.6 | -173.4 | 172.9 | -162.8 | 0 | 0 | 111.4 | Y86 Q87 C92 L93 Q94 | Y86-E90 PolarHBondContact O-N 3.43Å; Q87-E90 PolarHBondContact O-N 3.49Å; E90-C92 PolarHBondContact O-N 3.16Å; E90-L93 PolarHBondContact O-N 2.62Å; E90-Q94 WeakPolarHBondContact O-CG 3.38Å; E90-Q94 PolarHBondContact O-N 3.12Å; E90-Q94 VanDerWaalsContact O-N 3.09Å |
| 91 | Q | 88.1 | Confident | 83 | Confident | 115 Ų | 115 | 82 Ų | 82 | 54% | 0.537 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 176 | -70.6 | 172.4 | 1.2 | 0 | 0 | 112.5 | Q87 T88 L89 L93 Q94 H95 | Q87-Q91 WeakPolarHBondContact O-CG 3.28Å; Q87-Q91 PolarHBondContact O-N 3.44Å; T88-Q91 PolarHBondContact O-N 3.06Å; L89-Q91 PolarHBondContact O-N 3.42Å; Q91-L93 VanDerWaalsContact C-N 3.3Å; Q91-L93 PolarHBondContact O-N 3.47Å; Q91-Q94 PolarHBondContact O-N 3.34Å; Q91-H95 PolarHBondContact O-N 2.84Å |
| 92 | C | 85.9 | Confident | 82.3 | Confident | 43 Ų | 43 | 82.4 Ų | 82.4 | 29% | 0.291 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.7 | -36.9 | 177 | -73.3 | 0 | 0 | 0 | 0 | 112.4 | T88 L89 E90 I96 L106 | T88-C92 WeakPolarHBondContact O-CB 3.49Å; T88-C92 PolarHBondContact O-N 3.43Å; T88-C92 PolarHBondContact O-SG 2.91Å; L89-C92 PolarHBondContact O-N 3.33Å; E90-C92 PolarHBondContact O-N 3.16Å; C92-I96 HydrophobicContact CB-CD1 4.2Å; C92-I96 PolarHBondContact O-N 3.26Å; C92-L106 HydrophobicContact CB-CD1 4.5Å |
| 93 | L | 84.3 | Confident | 81.9 | Confident | 53 Ų | 53 | 87 Ų | 87 | 28% | 0.277 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.2 | -30.9 | 176.7 | -71.4 | 171.5 | 0 | 0 | 0 | 112.6 | L89 E90 Q91 R103 L106 N107 H110 | L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.29Å; L89-L93 PolarHBondContact O-N 2.96Å; E90-L93 PolarHBondContact O-N 2.62Å; Q91-L93 VanDerWaalsContact C-N 3.3Å; Q91-L93 PolarHBondContact O-N 3.47Å; L93-R103 HydrophobicContact CD2-CG 4.24Å; L93-L106 HydrophobicContact CD2-CB 4.05Å; L93-N107 WeakPolarHBondContact CD1-OD1 3.43Å; L93-N107 VanDerWaalsContact CD2-OD1 3.25Å; L93-N107 WeakPolarHBondContact CD2-OD1 3.49Å; L93-H110 HydrophobicContact CD1-CB 4.19Å |
| 94 | Q | 83.4 | Confident | 81.5 | Confident | 129 Ų | 129 | 93.9 Ų | 93.9 | 60% | 0.603 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -81.1 | -35.2 | 179.7 | -70.7 | 177.8 | 9.6 | 0 | 0 | 113.7 | E90 Q91 | E90-Q94 WeakPolarHBondContact O-CG 3.38Å; E90-Q94 PolarHBondContact O-N 3.12Å; E90-Q94 VanDerWaalsContact O-N 3.09Å; Q91-Q94 PolarHBondContact O-N 3.34Å |
| 95 | H | 70.9 | Confident | 81.1 | Confident | 149 Ų | 149 | 91.4 Ų | 91.4 | 69% | 0.69 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -111.7 | -15.4 | -164.9 | -73.7 | -66.8 | 0 | 0 | 0 | 117 | Q91 | Q91-H95 PolarHBondContact O-N 2.84Å |
| 96 | I | 66.1 | Low | 80.8 | Confident | 95 Ų | 95 | 90.4 Ų | 90.4 | 49% | 0.487 | 45% | 0.45 | S | S | . | . | trans | -112 | 133.1 | -168.9 | -56.4 | 172.9 | 0 | 0 | 0 | 111.2 | C92 V98 | C92-I96 HydrophobicContact CB-CD1 4.2Å; C92-I96 PolarHBondContact O-N 3.26Å; I96-V98 HydrophobicContact CB-CG2 3.6Å; I96-V98 HydrophobicContact CG2-CG2 3.51Å; I96-V98 PolarHBondContact O-N 2.89Å | ||
| 97 | P | 65.5 | Low | 80.6 | Confident | 132 Ų | 132 | 91.2 Ų | 91.2 | 86% | 0.857 | 46% | 0.458 | S | S | * | . | trans | -70.7 | 78.8 | 162.2 | 30 | -32 | 0 | 0 | 0 | 108.8 | ||||
| 98 | V | 63.2 | Low | 80.4 | Confident | 31 Ų | 31 | 95 Ų | 95 | 19% | 0.188 | 47% | 0.467 | C | S | . | . | trans | -77.5 | 135.2 | 179.9 | -176.4 | 0 | 0 | 0 | 0 | 109 | I96 N102 R103 L106 | I96-V98 HydrophobicContact CB-CG2 3.6Å; I96-V98 HydrophobicContact CG2-CG2 3.51Å; I96-V98 PolarHBondContact O-N 2.89Å; V98-N102 HydrophobicContact CG1-CB 3.27Å; V98-R103 HydrophobicContact CB-CB 4.34Å; V98-R103 HydrophobicContact CG1-CB 4.25Å; V98-L106 HydrophobicContact CG1-CD1 4.1Å; V98-L106 HydrophobicContact CG2-CD1 4.29Å | ||
| 99 | N | 72.9 | Confident | 80.3 | Confident | 108 Ų | 108 | 95.8 Ų | 95.8 | 58% | 0.578 | 46% | 0.463 | S | S | * | . | trans | -48.3 | 141.3 | 169.9 | -173.8 | 16.1 | 0 | 0 | 0 | 110.5 | E101 N102 R103 | N99-E101 PolarHBondContact O-N 3.39Å; N99-E101 VanDerWaalsContact O-N 3.09Å; N99-N102 HydrophobicContact CB-CB 4.48Å; N99-N102 PolarHBondContact O-N 2.82Å; N99-R103 PolarHBondContact O-N 3.1Å | ||
| 100 | E | 71.9 | Confident | 80.4 | Confident | 110 Ų | 110 | 97 Ų | 97 | 51% | 0.514 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -54.5 | -38.5 | -171.1 | -76 | -145 | 158.5 | 0 | 0 | 113.7 | R103 R104 | E100-R103 PolarHBondContact O-N 3.47Å; E100-R104 WeakPolarHBondContact O-CG 3.31Å; E100-R104 PolarHBondContact O-N 3.19Å; E100-R104 VanDerWaalsContact O-N 3.09Å; E100-R104 IonicContact OE2-NH2 3.08Å; E100-R104 PolarHBondContact OE2-NH2 3.4Å |
| 101 | E | 72.7 | Confident | 80.4 | Confident | 147 Ų | 147 | 96.3 Ų | 96.3 | 69% | 0.687 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.8 | -43.2 | 179.5 | -171.5 | 166.6 | -161.2 | 0 | 0 | 112.2 | N99 R103 R104 S105 | N99-E101 PolarHBondContact O-N 3.39Å; N99-E101 VanDerWaalsContact O-N 3.09Å; E101-R103 VanDerWaalsContact C-N 3.29Å; E101-R103 PolarHBondContact O-N 3Å; E101-R104 PolarHBondContact O-N 3.01Å; E101-S105 PolarHBondContact O-N 3.17Å |
| 102 | N | 79.6 | Confident | 80.4 | Confident | 90 Ų | 90 | 95.3 Ų | 95.3 | 48% | 0.481 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.4 | -32.7 | 174.6 | -71.9 | -15 | 0 | 0 | 0 | 111.4 | V98 N99 S105 L106 | V98-N102 HydrophobicContact CG1-CB 3.27Å; N99-N102 HydrophobicContact CB-CB 4.48Å; N99-N102 PolarHBondContact O-N 2.82Å; N102-S105 PolarHBondContact O-OG 3.16Å; N102-L106 WeakPolarHBondContact O-CB 3.35Å; N102-L106 WeakPolarHBondContact O-CG 3.43Å; N102-L106 PolarHBondContact O-N 3.45Å; N102-L106 VanDerWaalsContact O-N 3.09Å |
| 103 | R | 83 | Confident | 80.6 | Confident | 110 Ų | 110 | 93.8 Ų | 93.8 | 42% | 0.415 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.2 | -36.7 | 176.6 | -168.2 | 168 | 61.8 | 89.5 | -0.1 | 112 | L93 V98 N99 E100 E101 N107 | L93-R103 HydrophobicContact CD2-CG 4.24Å; V98-R103 HydrophobicContact CB-CB 4.34Å; V98-R103 HydrophobicContact CG1-CB 4.25Å; N99-R103 PolarHBondContact O-N 3.1Å; E100-R103 PolarHBondContact O-N 3.47Å; E101-R103 VanDerWaalsContact C-N 3.29Å; E101-R103 PolarHBondContact O-N 3Å; R103-N107 WeakPolarHBondContact O-CB 3.5Å; R103-N107 PolarHBondContact O-N 3.14Å; R103-N107 PolarHBondContact O-ND2 3Å |
| 104 | R | 84 | Confident | 80.9 | Confident | 168 Ų | 168 | 92.9 Ų | 92.9 | 63% | 0.634 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.5 | -42.9 | 176.1 | -70.4 | 175.4 | -164.8 | -178.2 | 7.2 | 111.9 | E100 E101 R108 | E100-R104 WeakPolarHBondContact O-CG 3.31Å; E100-R104 PolarHBondContact O-N 3.19Å; E100-R104 VanDerWaalsContact O-N 3.09Å; E100-R104 IonicContact OE2-NH2 3.08Å; E100-R104 PolarHBondContact OE2-NH2 3.4Å; E101-R104 PolarHBondContact O-N 3.01Å; R104-R108 WeakPolarHBondContact O-CB 3.34Å; R104-R108 PolarHBondContact O-N 3.32Å |
| 105 | S | 85.8 | Confident | 81.3 | Confident | 67 Ų | 67 | 90 Ų | 90 | 47% | 0.469 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.2 | -42 | 177.9 | 60 | 0 | 0 | 0 | 0 | 112.2 | E101 N102 R108 R109 | E101-S105 PolarHBondContact O-N 3.17Å; N102-S105 PolarHBondContact O-OG 3.16Å; S105-R108 PolarHBondContact O-N 3.43Å; S105-R109 PolarHBondContact O-N 3.31Å |
| 106 | L | 86.6 | Confident | 82.2 | Confident | 39 Ų | 39 | 83.8 Ų | 83.8 | 20% | 0.204 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 174.3 | -68.7 | 171.5 | 0 | 0 | 0 | 111.9 | L89 C92 L93 V98 N102 R108 R109 H110 | L89-L106 HydrophobicContact CD2-CD2 3.33Å; C92-L106 HydrophobicContact CB-CD1 4.5Å; L93-L106 HydrophobicContact CD2-CB 4.05Å; V98-L106 HydrophobicContact CG1-CD1 4.1Å; V98-L106 HydrophobicContact CG2-CD1 4.29Å; N102-L106 WeakPolarHBondContact O-CB 3.35Å; N102-L106 WeakPolarHBondContact O-CG 3.43Å; N102-L106 PolarHBondContact O-N 3.45Å; N102-L106 VanDerWaalsContact O-N 3.09Å; L106-R108 VanDerWaalsContact C-N 3.31Å; L106-R108 PolarHBondContact O-N 2.94Å; L106-R109 PolarHBondContact O-N 2.88Å; L106-H110 VanDerWaalsContact O-CB 3.3Å; L106-H110 WeakPolarHBondContact O-CB 3.43Å; L106-H110 PolarHBondContact O-N 3.36Å |
| 107 | N | 87.8 | Confident | 83.4 | Confident | 68 Ų | 68 | 80 Ų | 80 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 176.6 | -83.4 | -28.5 | 0 | 0 | 0 | 112.3 | L93 R103 A111 | L93-N107 WeakPolarHBondContact CD1-OD1 3.43Å; L93-N107 VanDerWaalsContact CD2-OD1 3.25Å; L93-N107 WeakPolarHBondContact CD2-OD1 3.49Å; R103-N107 WeakPolarHBondContact O-CB 3.5Å; R103-N107 PolarHBondContact O-N 3.14Å; R103-N107 PolarHBondContact O-ND2 3Å; N107-A111 WeakPolarHBondContact O-CB 3.38Å; N107-A111 PolarHBondContact O-N 3.35Å |
| 108 | R | 88.1 | Confident | 84.7 | Confident | 177 Ų | 177 | 76.3 Ų | 76.3 | 67% | 0.668 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.6 | -49.5 | 176.3 | -179.9 | 179.9 | 172.9 | 165.5 | 3.6 | 111 | R104 S105 L106 H110 A111 E112 | R104-R108 WeakPolarHBondContact O-CB 3.34Å; R104-R108 PolarHBondContact O-N 3.32Å; S105-R108 PolarHBondContact O-N 3.43Å; L106-R108 VanDerWaalsContact C-N 3.31Å; L106-R108 PolarHBondContact O-N 2.94Å; R108-H110 PolarHBondContact O-N 2.83Å; R108-A111 PolarHBondContact O-N 3.06Å; R108-E112 WeakPolarHBondContact CG-OE1 3.46Å; R108-E112 IonicContact CZ-OE1 3.28Å; R108-E112 IonicContact NE-OE1 2.75Å; R108-E112 PolarHBondContact NE-OE1 3.33Å; R108-E112 IonicContact NH2-OE1 2.79Å; R108-E112 WeakPolarHBondContact O-CG 3.46Å; R108-E112 PolarHBondContact O-N 3.05Å |
| 109 | R | 89.6 | Confident | 86.1 | Confident | 88 Ų | 88 | 75.5 Ų | 75.5 | 33% | 0.332 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 179.2 | -175.3 | 62.2 | 175.1 | 159.3 | 6 | 112 | E85 L89 S105 L106 A111 E112 L113 | E85-R109 IonicContact OE1-CZ 3.93Å; E85-R109 IonicContact OE1-NE 3.88Å; E85-R109 PolarHBondContact OE1-NE 3.3Å; E85-R109 IonicContact OE1-NH2 3.05Å; E85-R109 PolarHBondContact OE1-NH2 2.93Å; E85-R109 VanDerWaalsContact OE1-NH2 3.08Å; E85-R109 IonicContact OE2-NH2 3.92Å; E85-R109 PolarHBondContact OE2-NH2 3.45Å; E85-R109 VanDerWaalsContact OE2-NH2 3.08Å; L89-R109 HydrophobicContact CD1-CB 4.17Å; L89-R109 HydrophobicContact CD1-CG 3.68Å; S105-R109 PolarHBondContact O-N 3.31Å; L106-R109 PolarHBondContact O-N 2.88Å; R109-A111 VanDerWaalsContact C-N 3.35Å; R109-A111 PolarHBondContact O-N 2.87Å; R109-E112 IonicContact NH1-OE2 3.19Å; R109-E112 PolarHBondContact O-N 3.1Å; R109-L113 HydrophobicContact CG-CD1 4.27Å; R109-L113 WeakPolarHBondContact O-CG 3.49Å; R109-L113 PolarHBondContact O-N 2.9Å |
| 110 | H | 90.7 | Very high | 87.1 | Confident | 40 Ų | 40 | 71.2 Ų | 71.2 | 19% | 0.185 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 174.6 | -177.7 | -79.5 | 0 | 0 | 0 | 111.4 | Y86 L93 L106 R108 E112 L113 A114 | Y86-H110 AromaticContact CE2-CD2 3.74Å; Y86-H110 AromaticContact CE2-CE1 3.59Å; Y86-H110 AromaticContact CE2-NE2 3.41Å; Y86-H110 WeakPolarHBondContact CE2-NE2 3.35Å; Y86-H110 AromaticContact CZ-CE1 3.76Å; Y86-H110 AromaticContact CZ-NE2 3.5Å; Y86-H110 PolarHBondContact OH-CE1 3.49Å; Y86-H110 PolarHBondContact OH-NE2 3Å; L93-H110 HydrophobicContact CD1-CB 4.19Å; L106-H110 VanDerWaalsContact O-CB 3.3Å; L106-H110 WeakPolarHBondContact O-CB 3.43Å; L106-H110 PolarHBondContact O-N 3.36Å; R108-H110 PolarHBondContact O-N 2.83Å; H110-E112 VanDerWaalsContact C-N 3.34Å; H110-E112 PolarHBondContact O-N 3.26Å; H110-L113 PolarHBondContact O-N 3.49Å; H110-A114 WeakPolarHBondContact O-CB 3.46Å; H110-A114 PolarHBondContact O-N 2.98Å |
| 111 | A | 89.2 | Confident | 88 | Confident | 64 Ų | 64 | 71.1 Ų | 71.1 | 53% | 0.529 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.1 | -35.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | N107 R108 R109 P115 | N107-A111 WeakPolarHBondContact O-CB 3.38Å; N107-A111 PolarHBondContact O-N 3.35Å; R108-A111 PolarHBondContact O-N 3.06Å; R109-A111 VanDerWaalsContact C-N 3.35Å; R109-A111 PolarHBondContact O-N 2.87Å; A111-P115 WeakPolarHBondContact O-CD 3.26Å |
| 112 | E | 88.3 | Confident | 89.1 | Confident | 94 Ų | 94 | 67.4 Ų | 67.4 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.5 | -37.5 | 174.7 | -72.9 | 169.7 | -172.2 | 0 | 0 | 112.1 | R108 R109 H110 | R108-E112 WeakPolarHBondContact CG-OE1 3.46Å; R108-E112 IonicContact CZ-OE1 3.28Å; R108-E112 IonicContact NE-OE1 2.75Å; R108-E112 PolarHBondContact NE-OE1 3.33Å; R108-E112 IonicContact NH2-OE1 2.79Å; R108-E112 WeakPolarHBondContact O-CG 3.46Å; R108-E112 PolarHBondContact O-N 3.05Å; R109-E112 IonicContact NH1-OE2 3.19Å; R109-E112 PolarHBondContact O-N 3.1Å; H110-E112 VanDerWaalsContact C-N 3.34Å; H110-E112 PolarHBondContact O-N 3.26Å |
| 113 | L | 90 | Very high | 89.7 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -85 | -25.2 | -178.4 | -68.9 | 178.4 | 0 | 0 | 0 | 114 | L82 E85 Y86 L89 R109 H110 L116 A117 | L82-L113 HydrophobicContact CD2-CD2 4.08Å; E85-L113 HydrophobicContact CB-CD1 4.35Å; E85-L113 HydrophobicContact CG-CD1 4.02Å; Y86-L113 HydrophobicContact CD2-CB 3.95Å; L89-L113 HydrophobicContact CD1-CD1 3.96Å; R109-L113 HydrophobicContact CG-CD1 4.27Å; R109-L113 WeakPolarHBondContact O-CG 3.49Å; R109-L113 PolarHBondContact O-N 2.9Å; H110-L113 PolarHBondContact O-N 3.49Å; L113-L116 PolarHBondContact O-N 2.97Å; L113-L116 VanDerWaalsContact O-N 3.1Å; L113-A117 WeakPolarHBondContact O-CB 3.11Å; L113-A117 PolarHBondContact O-N 3.25Å |
| 114 | A | 90.3 | Very high | 90.2 | Very high | 33 Ų | 33 | 61.5 Ų | 61.5 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -48 | -50 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y86 H110 L116 A117 A118 | Y86-A114 HydrophobicContact CE2-CB 4.09Å; H110-A114 WeakPolarHBondContact O-CB 3.46Å; H110-A114 PolarHBondContact O-N 2.98Å; A114-L116 VanDerWaalsContact C-N 3.31Å; A114-L116 PolarHBondContact O-N 2.68Å; A114-A117 PolarHBondContact O-N 3.47Å; A114-A118 WeakPolarHBondContact O-CB 3.34Å; A114-A118 PolarHBondContact O-N 3.33Å |
| 115 | P | 90.4 | Very high | 90.7 | Very high | 69 Ų | 69 | 58.2 Ų | 58.2 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.2 | -37.7 | -179.9 | 25 | -34.5 | 0 | 0 | 0 | 112.3 | A111 A118 I119 | A111-P115 WeakPolarHBondContact O-CD 3.26Å; P115-A118 PolarHBondContact O-N 3.44Å; P115-I119 WeakPolarHBondContact O-CD1 3.26Å; P115-I119 WeakPolarHBondContact O-CG1 3.39Å; P115-I119 PolarHBondContact O-N 3.3Å; P115-I119 VanDerWaalsContact O-N 3.16Å |
| 116 | L | 90.8 | Very high | 91.1 | Very high | 18 Ų | 18 | 55.4 Ų | 55.4 | 9% | 0.094 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -73.6 | -37.5 | -179.4 | -173 | 134.3 | 0 | 0 | 0 | 111.9 | M79 L82 L113 A114 Y120 L170 L174 | M79-L116 HydrophobicContact SD-CD2 3.98Å; L82-L116 HydrophobicContact CB-CD2 4.19Å; L82-L116 HydrophobicContact CD1-CD2 3.55Å; L113-L116 PolarHBondContact O-N 2.97Å; L113-L116 VanDerWaalsContact O-N 3.1Å; A114-L116 VanDerWaalsContact C-N 3.31Å; A114-L116 PolarHBondContact O-N 2.68Å; L116-Y120 WeakPolarHBondContact O-CB 3.09Å; L116-Y120 PolarHBondContact O-N 2.97Å; L116-L170 HydrophobicContact CG-CD1 4.24Å; L116-L174 HydrophobicContact CD1-CD2 3.73Å; L116-L174 HydrophobicContact CD1-CG 4.21Å |
| 117 | A | 91.5 | Very high | 91.3 | Very high | 15 Ų | 15 | 56.2 Ų | 56.2 | 12% | 0.124 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y86 L113 A114 Y120 Q121 | Y86-A117 HydrophobicContact CD1-CB 3.93Å; Y86-A117 HydrophobicContact CD2-CB 4.03Å; Y86-A117 HydrophobicContact CE1-CB 4.24Å; Y86-A117 HydrophobicContact CE2-CB 4.32Å; Y86-A117 HydrophobicContact CG-CB 3.83Å; L113-A117 WeakPolarHBondContact O-CB 3.11Å; L113-A117 PolarHBondContact O-N 3.25Å; A114-A117 PolarHBondContact O-N 3.47Å; A117-Y120 PolarHBondContact O-N 2.95Å; A117-Q121 WeakPolarHBondContact O-CB 3.16Å; A117-Q121 PolarHBondContact O-N 2.88Å |
| 118 | A | 91.9 | Very high | 91.6 | Very high | 56 Ų | 56 | 58.4 Ų | 58.4 | 46% | 0.463 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A114 P115 Y120 Q121 E122 | A114-A118 WeakPolarHBondContact O-CB 3.34Å; A114-A118 PolarHBondContact O-N 3.33Å; P115-A118 PolarHBondContact O-N 3.44Å; A118-Y120 VanDerWaalsContact C-N 3.32Å; A118-Y120 PolarHBondContact O-N 3.35Å; A118-Q121 PolarHBondContact O-N 3.31Å; A118-E122 PolarHBondContact O-N 2.92Å |
| 119 | I | 92.9 | Very high | 91.8 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 7% | 0.072 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 176.8 | -63.2 | 160.6 | 0 | 0 | 0 | 110.5 | P115 Q121 E122 I123 E169 L170 | P115-I119 WeakPolarHBondContact O-CD1 3.26Å; P115-I119 WeakPolarHBondContact O-CG1 3.39Å; P115-I119 PolarHBondContact O-N 3.3Å; P115-I119 VanDerWaalsContact O-N 3.16Å; I119-Q121 PolarHBondContact O-N 3.09Å; I119-E122 PolarHBondContact O-N 2.93Å; I119-I123 HydrophobicContact CG2-CD1 4.01Å; I119-I123 VanDerWaalsContact O-CG1 3.31Å; I119-I123 WeakPolarHBondContact O-CG1 3.44Å; I119-I123 PolarHBondContact O-N 3.38Å; I119-E169 HydrophobicContact CD1-CG 3.87Å; I119-E169 HydrophobicContact CG1-CG 4.41Å; I119-L170 HydrophobicContact CB-CD1 4.23Å; I119-L170 HydrophobicContact CG2-CB 3.82Å; I119-L170 HydrophobicContact CG2-CD1 3.83Å; I119-L170 HydrophobicContact CG2-CG 4.42Å |
| 120 | Y | 93.1 | Very high | 91.8 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 178.3 | -179.4 | -105.4 | 0 | 0 | 0 | 112.1 | W70 M79 L116 A117 A118 I123 Q124 | W70-Y120 AromaticContact CH2-CD2 3.7Å; W70-Y120 HydrophobicContact CH2-CD2 3.7Å; W70-Y120 AromaticContact CH2-CE2 3.58Å; W70-Y120 HydrophobicContact CH2-CE2 3.58Å; W70-Y120 HydrophobicContact CZ2-CE2 4.28Å; W70-Y120 HydrophobicContact CZ3-CD2 4.48Å; M79-Y120 HydrophobicContact CB-CD2 3.62Å; M79-Y120 HydrophobicContact CB-CE2 3.39Å; M79-Y120 HydrophobicContact CB-CG 4.49Å; M79-Y120 HydrophobicContact CG-CD2 4.1Å; M79-Y120 HydrophobicContact CG-CE2 4.21Å; M79-Y120 HydrophobicContact SD-CD2 4.41Å; L116-Y120 WeakPolarHBondContact O-CB 3.09Å; L116-Y120 PolarHBondContact O-N 2.97Å; A117-Y120 PolarHBondContact O-N 2.95Å; A118-Y120 VanDerWaalsContact C-N 3.32Å; A118-Y120 PolarHBondContact O-N 3.35Å; Y120-I123 WeakPolarHBondContact O-CB 3.48Å; Y120-I123 PolarHBondContact O-N 2.85Å; Y120-Q124 HydrophobicContact CD1-CG 4.47Å; Y120-Q124 HydrophobicContact CE1-CG 4.09Å; Y120-Q124 WeakPolarHBondContact O-CG 3.45Å; Y120-Q124 PolarHBondContact O-N 3.35Å; Y120-Q124 PolarHBondContact OH-NE2 2.87Å |
| 121 | Q | 92.8 | Very high | 91.8 | Very high | 109 Ų | 109 | 53.2 Ų | 53.2 | 51% | 0.509 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 176.3 | -176 | 179.7 | -23.1 | 0 | 0 | 111.3 | A117 A118 I119 I123 Q124 E125 | A117-Q121 WeakPolarHBondContact O-CB 3.16Å; A117-Q121 PolarHBondContact O-N 2.88Å; A118-Q121 PolarHBondContact O-N 3.31Å; I119-Q121 PolarHBondContact O-N 3.09Å; Q121-I123 VanDerWaalsContact C-N 3.27Å; Q121-I123 PolarHBondContact O-N 3.42Å; Q121-Q124 WeakPolarHBondContact O-CB 3.41Å; Q121-Q124 PolarHBondContact O-N 3.41Å; Q121-Q124 VanDerWaalsContact O-N 3.09Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.1Å; Q121-E125 PolarHBondContact NE2-OE1 3.37Å; Q121-E125 WeakPolarHBondContact O-CG 3.41Å; Q121-E125 PolarHBondContact O-N 3.31Å |
| 122 | E | 94.4 | Very high | 91.9 | Very high | 68 Ų | 68 | 56.1 Ų | 56.1 | 32% | 0.318 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.4 | -34.9 | 178.2 | -165.3 | 176.7 | 179.4 | 0 | 0 | 112.1 | A118 I119 T126 K162 L166 | A118-E122 PolarHBondContact O-N 2.92Å; I119-E122 PolarHBondContact O-N 2.93Å; E122-T126 VanDerWaalsContact O-CB 3.29Å; E122-T126 WeakPolarHBondContact O-CB 3.43Å; E122-T126 PolarHBondContact O-N 3.1Å; E122-T126 PolarHBondContact O-OG1 3.32Å; E122-K162 WeakPolarHBondContact OE1-CE 3.41Å; E122-K162 IonicContact OE1-NZ 3.36Å; E122-K162 PolarHBondContact OE1-NZ 3.26Å; E122-L166 HydrophobicContact CB-CD1 4.26Å; E122-L166 HydrophobicContact CB-CD2 4.3Å; E122-L166 HydrophobicContact CG-CD1 3.78Å; E122-L166 HydrophobicContact CG-CD2 4.06Å; E122-L166 WeakPolarHBondContact OE2-CD2 3.4Å |
| 123 | I | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 171.6 | -71.2 | 166.2 | 0 | 0 | 0 | 110.4 | W70 I119 Y120 Q121 E125 T126 E127 L166 Y167 L170 | W70-I123 HydrophobicContact CH2-CD1 4.44Å; W70-I123 HydrophobicContact CH2-CG2 4.09Å; W70-I123 HydrophobicContact CZ2-CG2 3.55Å; I119-I123 HydrophobicContact CG2-CD1 4.01Å; I119-I123 VanDerWaalsContact O-CG1 3.31Å; I119-I123 WeakPolarHBondContact O-CG1 3.44Å; I119-I123 PolarHBondContact O-N 3.38Å; Y120-I123 WeakPolarHBondContact O-CB 3.48Å; Y120-I123 PolarHBondContact O-N 2.85Å; Q121-I123 VanDerWaalsContact C-N 3.27Å; Q121-I123 PolarHBondContact O-N 3.42Å; I123-E125 PolarHBondContact O-N 3.1Å; I123-T126 PolarHBondContact O-N 2.63Å; I123-E127 HydrophobicContact CG2-CG 4.34Å; I123-E127 WeakPolarHBondContact O-CB 3.15Å; I123-E127 WeakPolarHBondContact O-CG 2.81Å; I123-E127 PolarHBondContact O-N 2.89Å; I123-L166 HydrophobicContact CD1-CB 4.24Å; I123-L166 HydrophobicContact CG1-CB 3.63Å; I123-L166 HydrophobicContact CG1-CD1 4.21Å; I123-L166 HydrophobicContact CG1-CG 4.48Å; I123-Y167 HydrophobicContact CD1-CD1 3.95Å; I123-Y167 HydrophobicContact CD1-CE1 4.31Å; I123-Y167 HydrophobicContact CG1-CD1 4.36Å; I123-Y167 HydrophobicContact CG1-CE1 4.42Å; I123-Y167 HydrophobicContact CG2-CD1 4.42Å; I123-Y167 HydrophobicContact CG2-CE1 3.71Å; I123-L170 HydrophobicContact CD1-CB 4.17Å; I123-L170 HydrophobicContact CD1-CD2 3.8Å; I123-L170 HydrophobicContact CD1-CG 4.42Å |
| 124 | Q | 92.7 | Very high | 91.8 | Very high | 77 Ų | 77 | 54.6 Ų | 54.6 | 36% | 0.36 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 179.9 | -68.7 | -174.6 | -55.3 | 0 | 0 | 112.1 | Y120 Q121 T126 E127 Q128 | Y120-Q124 HydrophobicContact CD1-CG 4.47Å; Y120-Q124 HydrophobicContact CE1-CG 4.09Å; Y120-Q124 WeakPolarHBondContact O-CG 3.45Å; Y120-Q124 PolarHBondContact O-N 3.35Å; Y120-Q124 PolarHBondContact OH-NE2 2.87Å; Q121-Q124 WeakPolarHBondContact O-CB 3.41Å; Q121-Q124 PolarHBondContact O-N 3.41Å; Q121-Q124 VanDerWaalsContact O-N 3.09Å; Q124-T126 VanDerWaalsContact C-N 3.34Å; Q124-E127 PolarHBondContact O-N 2.97Å; Q124-Q128 WeakPolarHBondContact O-CG 2.94Å; Q124-Q128 PolarHBondContact O-N 3.09Å |
| 125 | E | 94.4 | Very high | 91.6 | Very high | 99 Ų | 99 | 56.2 Ų | 56.2 | 46% | 0.463 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 175.9 | -70.4 | 172.7 | -172 | 0 | 0 | 111.4 | Q121 I123 Q128 A129 | Q121-E125 WeakPolarHBondContact CG-OE1 3.1Å; Q121-E125 PolarHBondContact NE2-OE1 3.37Å; Q121-E125 WeakPolarHBondContact O-CG 3.41Å; Q121-E125 PolarHBondContact O-N 3.31Å; I123-E125 PolarHBondContact O-N 3.1Å; E125-Q128 PolarHBondContact O-N 3.21Å; E125-A129 PolarHBondContact O-N 3.21Å |
| 126 | T | 93.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 4% | 0.043 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68 | -38.4 | 177.4 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | E122 I123 Q124 A129 I130 I159 I163 | E122-T126 VanDerWaalsContact O-CB 3.29Å; E122-T126 WeakPolarHBondContact O-CB 3.43Å; E122-T126 PolarHBondContact O-N 3.1Å; E122-T126 PolarHBondContact O-OG1 3.32Å; I123-T126 PolarHBondContact O-N 2.63Å; Q124-T126 VanDerWaalsContact C-N 3.34Å; T126-A129 PolarHBondContact O-N 2.93Å; T126-I130 WeakPolarHBondContact O-CG1 3.42Å; T126-I130 PolarHBondContact O-N 2.88Å; T126-I159 HydrophobicContact CG2-CG2 3.63Å; T126-I163 HydrophobicContact CG2-CB 3.86Å; T126-I163 HydrophobicContact CG2-CD1 4.39Å; T126-I163 HydrophobicContact CG2-CG1 4.19Å |
| 127 | E | 91.7 | Very high | 90.9 | Very high | 57 Ų | 57 | 59.9 Ų | 59.9 | 27% | 0.266 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 174 | -74.8 | -178.8 | 163.9 | 0 | 0 | 111.7 | W70 I123 Q124 I130 E131 I163 Y167 | W70-E127 PolarHBondContact NE1-OE1 3.36Å; I123-E127 HydrophobicContact CG2-CG 4.34Å; I123-E127 WeakPolarHBondContact O-CB 3.15Å; I123-E127 WeakPolarHBondContact O-CG 2.81Å; I123-E127 PolarHBondContact O-N 2.89Å; Q124-E127 PolarHBondContact O-N 2.97Å; E127-I130 WeakPolarHBondContact O-CB 3.07Å; E127-I130 PolarHBondContact O-N 3.35Å; E127-E131 PolarHBondContact O-N 3.12Å; E127-I163 HydrophobicContact CG-CD1 3.52Å; E127-Y167 PolarHBondContact OE1-OH 3.25Å |
| 128 | Q | 93.1 | Very high | 90.4 | Very high | 113 Ų | 113 | 66.1 Ų | 66.1 | 53% | 0.528 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 173.6 | -73.8 | 173.9 | 1.5 | 0 | 0 | 111.7 | Q124 E125 I130 E131 E132 | Q124-Q128 WeakPolarHBondContact O-CG 2.94Å; Q124-Q128 PolarHBondContact O-N 3.09Å; E125-Q128 PolarHBondContact O-N 3.21Å; Q128-I130 VanDerWaalsContact C-N 3.28Å; Q128-I130 PolarHBondContact O-N 3.23Å; Q128-E131 PolarHBondContact O-N 3.36Å; Q128-E131 VanDerWaalsContact O-N 3.1Å; Q128-E132 WeakPolarHBondContact O-CG 3.21Å; Q128-E132 PolarHBondContact O-N 2.89Å |
| 129 | A | 91.8 | Very high | 89.9 | Confident | 34 Ų | 34 | 67.6 Ų | 67.6 | 28% | 0.281 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.3 | -36.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E125 T126 L133 I159 | E125-A129 PolarHBondContact O-N 3.21Å; T126-A129 PolarHBondContact O-N 2.93Å; A129-L133 VanDerWaalsContact O-CB 3.26Å; A129-L133 WeakPolarHBondContact O-CB 3.48Å; A129-L133 PolarHBondContact O-N 3.19Å; A129-I159 HydrophobicContact CB-CD1 4.45Å |
| 130 | I | 91 | Very high | 88.9 | Confident | 28 Ų | 28 | 68.4 Ų | 68.4 | 14% | 0.144 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 173.2 | -65.9 | 170.3 | 0 | 0 | 0 | 110.6 | T126 E127 Q128 L133 E134 I159 I163 | T126-I130 WeakPolarHBondContact O-CG1 3.42Å; T126-I130 PolarHBondContact O-N 2.88Å; E127-I130 WeakPolarHBondContact O-CB 3.07Å; E127-I130 PolarHBondContact O-N 3.35Å; Q128-I130 VanDerWaalsContact C-N 3.28Å; Q128-I130 PolarHBondContact O-N 3.23Å; I130-L133 PolarHBondContact O-N 3.22Å; I130-E134 HydrophobicContact CG2-CG 4.36Å; I130-E134 WeakPolarHBondContact O-CB 3.44Å; I130-E134 WeakPolarHBondContact O-CG 3.41Å; I130-E134 PolarHBondContact O-N 3.29Å; I130-I159 HydrophobicContact CD1-CG2 3.88Å; I130-I159 HydrophobicContact CG1-CB 4.41Å; I130-I159 HydrophobicContact CG1-CG2 3.31Å; I130-I163 HydrophobicContact CD1-CD1 3.74Å; I130-I163 HydrophobicContact CD1-CG2 4.35Å |
| 131 | E | 91 | Very high | 87.6 | Confident | 135 Ų | 135 | 74 Ų | 74 | 63% | 0.631 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 179.7 | -72.4 | -175.5 | 178 | 0 | 0 | 112.1 | E127 Q128 E134 S135 | E127-E131 PolarHBondContact O-N 3.12Å; Q128-E131 PolarHBondContact O-N 3.36Å; Q128-E131 VanDerWaalsContact O-N 3.1Å; E131-E134 PolarHBondContact O-N 2.89Å; E131-S135 WeakPolarHBondContact O-CB 3.38Å; E131-S135 PolarHBondContact O-N 3.16Å |
| 132 | E | 90.2 | Very high | 86.6 | Confident | 124 Ų | 124 | 75.6 Ų | 75.6 | 58% | 0.579 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.6 | -49.2 | 175.2 | -72.6 | 178.5 | -178.1 | 0 | 0 | 110.9 | Q128 E134 S135 M136 | Q128-E132 WeakPolarHBondContact O-CG 3.21Å; Q128-E132 PolarHBondContact O-N 2.89Å; E132-E134 VanDerWaalsContact C-N 3.34Å; E132-E134 PolarHBondContact O-N 3.33Å; E132-S135 WeakPolarHBondContact O-CB 3.49Å; E132-S135 PolarHBondContact O-N 2.82Å; E132-S135 VanDerWaalsContact O-N 3.12Å; E132-S135 PolarHBondContact O-OG 3.42Å; E132-M136 WeakPolarHBondContact O-CG 3.3Å; E132-M136 PolarHBondContact O-N 2.91Å |
| 133 | L | 88.5 | Confident | 85 | Confident | 13 Ų | 13 | 80.8 Ų | 80.8 | 7% | 0.068 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 177.7 | -172.2 | 151.8 | 0 | 0 | 0 | 111.8 | A129 I130 S135 M136 C137 E155 R156 I159 | A129-L133 VanDerWaalsContact O-CB 3.26Å; A129-L133 WeakPolarHBondContact O-CB 3.48Å; A129-L133 PolarHBondContact O-N 3.19Å; I130-L133 PolarHBondContact O-N 3.22Å; L133-S135 VanDerWaalsContact C-N 3.33Å; L133-S135 PolarHBondContact O-N 3.44Å; L133-M136 PolarHBondContact O-N 2.74Å; L133-C137 WeakPolarHBondContact O-CB 3.27Å; L133-C137 PolarHBondContact O-N 2.88Å; L133-C137 PolarHBondContact O-SG 3.48Å; L133-E155 HydrophobicContact CD1-CB 3.89Å; L133-E155 HydrophobicContact CD1-CG 3.63Å; L133-R156 HydrophobicContact CD2-CB 3.9Å; L133-R156 HydrophobicContact CD2-CG 4.41Å; L133-I159 HydrophobicContact CD1-CD1 3.96Å |
| 134 | E | 87.1 | Confident | 83.5 | Confident | 61 Ų | 61 | 88.4 Ų | 88.4 | 29% | 0.285 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 175.4 | -76 | -166 | 166.3 | 0 | 0 | 112.2 | I130 E131 E132 K138 R156 | I130-E134 HydrophobicContact CG2-CG 4.36Å; I130-E134 WeakPolarHBondContact O-CB 3.44Å; I130-E134 WeakPolarHBondContact O-CG 3.41Å; I130-E134 PolarHBondContact O-N 3.29Å; E131-E134 PolarHBondContact O-N 2.89Å; E132-E134 VanDerWaalsContact C-N 3.34Å; E132-E134 PolarHBondContact O-N 3.33Å; E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 3.38Å; E134-K138 PolarHBondContact O-N 3.3Å; E134-K138 VanDerWaalsContact O-N 3.07Å; E134-R156 IonicContact OE1-CZ 3.83Å; E134-R156 IonicContact OE1-NH1 2.82Å; E134-R156 PolarHBondContact OE1-NH1 3.05Å; E134-R156 IonicContact OE1-NH2 3.43Å; E134-R156 PolarHBondContact OE1-NH2 3.29Å |
| 135 | S | 87.1 | Confident | 82.6 | Confident | 67 Ų | 67 | 87 Ų | 87 | 47% | 0.469 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 175.5 | 82.1 | 0 | 0 | 0 | 0 | 111.8 | E131 E132 L133 K138 S139 | E131-S135 WeakPolarHBondContact O-CB 3.38Å; E131-S135 PolarHBondContact O-N 3.16Å; E132-S135 WeakPolarHBondContact O-CB 3.49Å; E132-S135 PolarHBondContact O-N 2.82Å; E132-S135 VanDerWaalsContact O-N 3.12Å; E132-S135 PolarHBondContact O-OG 3.42Å; L133-S135 VanDerWaalsContact C-N 3.33Å; L133-S135 PolarHBondContact O-N 3.44Å; S135-K138 PolarHBondContact O-N 3.16Å; S135-S139 PolarHBondContact O-N 3.38Å |
| 136 | M | 84.3 | Confident | 81.8 | Confident | 121 Ų | 121 | 88.9 Ų | 88.9 | 60% | 0.596 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62 | -47.9 | 175 | -70.6 | 177.3 | 66.3 | 0 | 0 | 110.6 | E132 L133 K138 S139 L140 | E132-M136 WeakPolarHBondContact O-CG 3.3Å; E132-M136 PolarHBondContact O-N 2.91Å; L133-M136 PolarHBondContact O-N 2.74Å; M136-K138 VanDerWaalsContact C-N 3.29Å; M136-K138 PolarHBondContact O-N 3Å; M136-S139 PolarHBondContact O-N 3.05Å; M136-S139 PolarHBondContact O-OG 2.9Å; M136-L140 WeakPolarHBondContact O-CG 3.36Å; M136-L140 PolarHBondContact O-N 3.4Å |
| 137 | C | 81.8 | Confident | 81.1 | Confident | 43 Ų | 43 | 96.1 Ų | 96.1 | 29% | 0.291 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.3 | -39.6 | 176.3 | -70 | 0 | 0 | 0 | 0 | 112.7 | L133 S139 L140 | L133-C137 WeakPolarHBondContact O-CB 3.27Å; L133-C137 PolarHBondContact O-N 2.88Å; L133-C137 PolarHBondContact O-SG 3.48Å; C137-S139 VanDerWaalsContact C-N 3.26Å; C137-S139 PolarHBondContact O-N 3.4Å; C137-L140 PolarHBondContact O-N 3.1Å |
| 138 | K | 82.1 | Confident | 80.6 | Confident | 146 Ų | 146 | 97.9 Ų | 97.9 | 64% | 0.635 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67 | -26.1 | 177.7 | -74.4 | 168.7 | -171.6 | 165.5 | 0 | 113.3 | E134 S135 M136 N141 | E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 3.38Å; E134-K138 PolarHBondContact O-N 3.3Å; E134-K138 VanDerWaalsContact O-N 3.07Å; S135-K138 PolarHBondContact O-N 3.16Å; M136-K138 VanDerWaalsContact C-N 3.29Å; M136-K138 PolarHBondContact O-N 3Å; K138-N141 PolarHBondContact O-ND2 2.99Å |
| 139 | S | 80.3 | Confident | 80 | Confident | 87 Ų | 87 | 96.2 Ų | 96.2 | 61% | 0.608 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -80.7 | -25.7 | 176.9 | 72.1 | 0 | 0 | 0 | 0 | 113.2 | S135 M136 C137 N141 | S135-S139 PolarHBondContact O-N 3.38Å; M136-S139 PolarHBondContact O-N 3.05Å; M136-S139 PolarHBondContact O-OG 2.9Å; C137-S139 VanDerWaalsContact C-N 3.26Å; C137-S139 PolarHBondContact O-N 3.4Å; S139-N141 PolarHBondContact O-N 2.86Å |
| 140 | L | 72.9 | Confident | 79.7 | Confident | 31 Ų | 31 | 100.7 Ų | 100.7 | 16% | 0.162 | 50% | 0.5 | C | S | . | . | trans | -81.3 | 76.6 | 179.5 | -64.7 | 167.1 | 0 | 0 | 0 | 110.9 | M136 C137 E145 L148 Q149 | M136-L140 WeakPolarHBondContact O-CG 3.36Å; M136-L140 PolarHBondContact O-N 3.4Å; C137-L140 PolarHBondContact O-N 3.1Å; L140-E145 VanDerWaalsContact CA-OE2 3.23Å; L140-E145 WeakPolarHBondContact CA-OE2 3.43Å; L140-E145 WeakPolarHBondContact CB-OE2 3.47Å; L140-E145 HydrophobicContact CD2-CB 4.44Å; L140-E145 HydrophobicContact CD2-CG 4.37Å; L140-E145 WeakPolarHBondContact CD2-OE2 3.49Å; L140-L148 HydrophobicContact CD1-CB 4.43Å; L140-L148 HydrophobicContact CD2-CD1 4.39Å; L140-Q149 PolarHBondContact O-NE2 2.99Å | ||
| 141 | N | 64.4 | Low | 79.4 | Confident | 133 Ų | 133 | 104.3 Ų | 104.3 | 71% | 0.711 | 52% | 0.519 | S | S | * | . | trans | -104.2 | 6.7 | -177 | -72.9 | -49.5 | 0 | 0 | 0 | 114.4 | K138 S139 | K138-N141 PolarHBondContact O-ND2 2.99Å; S139-N141 PolarHBondContact O-N 2.86Å | ||
| 142 | K | 71.6 | Confident | 79.1 | Confident | 143 Ų | 143 | 98.4 Ų | 98.4 | 62% | 0.622 | 49% | 0.494 | S | S | * | . | trans | -95.6 | 139.9 | -175.6 | -66 | 177.4 | -176.8 | 171.3 | 0 | 111.2 | D144 E145 | K142-D144 PolarHBondContact O-N 2.91Å; K142-E145 HydrophobicContact CB-CG 4.36Å; K142-E145 PolarHBondContact O-N 3.48Å; K142-E145 VanDerWaalsContact O-N 3.11Å | ||
| 143 | Q | 62.1 | Low | 78.9 | Confident | 177 Ų | 177 | 97.3 Ų | 97.3 | 83% | 0.827 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -59.8 | -18.4 | 178.7 | -80.3 | -179 | -41.8 | 0 | 0 | 113.9 | E145 | Q143-E145 VanDerWaalsContact C-N 3.32Š|
| 144 | D | 62.1 | Low | 78.9 | Confident | 161 Ų | 161 | 102.6 Ų | 102.6 | 86% | 0.861 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -82.9 | -3.9 | 179.4 | -61.3 | -34.7 | 0 | 0 | 0 | 113.8 | K142 | K142-D144 PolarHBondContact O-N 2.91Š|
| 145 | E | 72.6 | Confident | 79 | Confident | 47 Ų | 47 | 105 Ų | 105 | 22% | 0.22 | 53% | 0.527 | C | S | . | . | G | 310 helix | trans | -106.7 | 19.9 | -173.2 | -65 | 170.7 | 170.8 | 0 | 0 | 113.3 | L140 K142 Q143 Q147 L148 Q149 | L140-E145 VanDerWaalsContact CA-OE2 3.23Å; L140-E145 WeakPolarHBondContact CA-OE2 3.43Å; L140-E145 WeakPolarHBondContact CB-OE2 3.47Å; L140-E145 HydrophobicContact CD2-CB 4.44Å; L140-E145 HydrophobicContact CD2-CG 4.37Å; L140-E145 WeakPolarHBondContact CD2-OE2 3.49Å; K142-E145 HydrophobicContact CB-CG 4.36Å; K142-E145 PolarHBondContact O-N 3.48Å; K142-E145 VanDerWaalsContact O-N 3.11Å; Q143-E145 VanDerWaalsContact C-N 3.32Å; E145-Q147 VanDerWaalsContact C-N 3.3Å; E145-Q147 PolarHBondContact O-N 3.46Å; E145-L148 HydrophobicContact CB-CB 4.48Å; E145-L148 HydrophobicContact CB-CD1 4.36Å; E145-L148 HydrophobicContact CG-CD1 4.27Å; E145-L148 WeakPolarHBondContact O-CB 3.34Å; E145-L148 PolarHBondContact O-N 3.4Å; E145-Q149 PolarHBondContact O-N 3.43Å |
| 146 | K | 78.1 | Confident | 79 | Confident | 139 Ų | 139 | 106.3 Ų | 106.3 | 60% | 0.604 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -55.4 | -40.9 | -178.6 | -74.4 | -176.3 | 179.4 | -178.3 | 0 | 113.8 | L148 Q149 E150 | K146-L148 VanDerWaalsContact C-N 3.32Å; K146-L148 PolarHBondContact O-N 3.42Å; K146-Q149 PolarHBondContact O-N 2.9Å; K146-E150 PolarHBondContact O-N 2.89Å |
| 147 | Q | 79.6 | Confident | 79.3 | Confident | 158 Ų | 158 | 106.4 Ų | 106.4 | 74% | 0.738 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65 | -36.7 | 178 | -70 | 179.9 | -26.3 | 0 | 0 | 112 | E145 L151 | E145-Q147 VanDerWaalsContact C-N 3.3Å; E145-Q147 PolarHBondContact O-N 3.46Å; Q147-L151 WeakPolarHBondContact O-CG 3.47Å; Q147-L151 PolarHBondContact O-N 3.37Å; Q147-L151 VanDerWaalsContact O-N 3.16Å |
| 148 | L | 81.5 | Confident | 79.7 | Confident | 94 Ų | 94 | 108.2 Ų | 108.2 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.9 | -36.7 | 175.6 | -73.9 | 166.8 | 0 | 0 | 0 | 111.6 | L140 E145 K146 A152 | L140-L148 HydrophobicContact CD1-CB 4.43Å; L140-L148 HydrophobicContact CD2-CD1 4.39Å; E145-L148 HydrophobicContact CB-CB 4.48Å; E145-L148 HydrophobicContact CB-CD1 4.36Å; E145-L148 HydrophobicContact CG-CD1 4.27Å; E145-L148 WeakPolarHBondContact O-CB 3.34Å; E145-L148 PolarHBondContact O-N 3.4Å; K146-L148 VanDerWaalsContact C-N 3.32Å; K146-L148 PolarHBondContact O-N 3.42Å; L148-A152 WeakPolarHBondContact O-CB 3.4Å; L148-A152 PolarHBondContact O-N 3.05Å |
| 149 | Q | 80.8 | Confident | 80.1 | Confident | 79 Ų | 79 | 102.4 Ų | 102.4 | 37% | 0.369 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 174.6 | -71.3 | -179.4 | -12.2 | 0 | 0 | 112.3 | L140 E145 K146 A152 L153 | L140-Q149 PolarHBondContact O-NE2 2.99Å; E145-Q149 PolarHBondContact O-N 3.43Å; K146-Q149 PolarHBondContact O-N 2.9Å; Q149-A152 PolarHBondContact O-N 3.33Å; Q149-L153 WeakPolarHBondContact O-CG 3.43Å; Q149-L153 PolarHBondContact O-N 3.34Å |
| 150 | E | 84.5 | Confident | 80.5 | Confident | 128 Ų | 128 | 100 Ų | 100 | 60% | 0.598 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.8 | -46.9 | 175.5 | -76.7 | 174.8 | 179.5 | 0 | 0 | 111.6 | K146 A152 L153 E154 | K146-E150 PolarHBondContact O-N 2.89Å; E150-A152 VanDerWaalsContact C-N 3.34Å; E150-A152 PolarHBondContact O-N 3.42Å; E150-L153 PolarHBondContact O-N 3.29Å; E150-E154 PolarHBondContact O-N 3.28Å |
| 151 | L | 85.4 | Confident | 81.3 | Confident | 103 Ų | 103 | 104.7 Ų | 104.7 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 175.8 | -70.8 | 170.7 | 0 | 0 | 0 | 112.3 | Q147 L153 E154 E155 | Q147-L151 WeakPolarHBondContact O-CG 3.47Å; Q147-L151 PolarHBondContact O-N 3.37Å; Q147-L151 VanDerWaalsContact O-N 3.16Å; L151-L153 VanDerWaalsContact C-N 3.31Å; L151-L153 PolarHBondContact O-N 2.84Å; L151-E154 PolarHBondContact O-N 3.02Å; L151-E155 PolarHBondContact O-N 3.18Å |
| 152 | A | 84.6 | Confident | 82.6 | Confident | 12 Ų | 12 | 102.8 Ų | 102.8 | 10% | 0.099 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -65.8 | -33 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L148 Q149 E150 R156 | L148-A152 WeakPolarHBondContact O-CB 3.4Å; L148-A152 PolarHBondContact O-N 3.05Å; Q149-A152 PolarHBondContact O-N 3.33Å; E150-A152 VanDerWaalsContact C-N 3.34Å; E150-A152 PolarHBondContact O-N 3.42Å; A152-R156 VanDerWaalsContact O-CB 3.28Å; A152-R156 WeakPolarHBondContact O-CB 3.33Å; A152-R156 PolarHBondContact O-N 3.39Å |
| 153 | L | 85.1 | Confident | 83.6 | Confident | 101 Ų | 101 | 96.1 Ų | 96.1 | 53% | 0.529 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.1 | -39.4 | 174.2 | -73.7 | 173.6 | 0 | 0 | 0 | 112.2 | Q149 E150 L151 R156 Q157 | Q149-L153 WeakPolarHBondContact O-CG 3.43Å; Q149-L153 PolarHBondContact O-N 3.34Å; E150-L153 PolarHBondContact O-N 3.29Å; L151-L153 VanDerWaalsContact C-N 3.31Å; L151-L153 PolarHBondContact O-N 2.84Å; L153-R156 PolarHBondContact O-N 3.15Å; L153-Q157 WeakPolarHBondContact O-CG 3.37Å; L153-Q157 PolarHBondContact O-N 2.94Å |
| 154 | E | 88.1 | Confident | 84.8 | Confident | 124 Ų | 124 | 90.2 Ų | 90.2 | 58% | 0.579 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.7 | -46.2 | 174.4 | -70.4 | -179.6 | 175.3 | 0 | 0 | 111.2 | E150 L151 R156 Q157 T158 | E150-E154 PolarHBondContact O-N 3.28Å; L151-E154 PolarHBondContact O-N 3.02Å; E154-R156 VanDerWaalsContact C-N 3.34Å; E154-R156 PolarHBondContact O-N 3.3Å; E154-Q157 WeakPolarHBondContact O-CB 3.35Å; E154-Q157 PolarHBondContact O-N 3Å; E154-Q157 VanDerWaalsContact O-N 3.14Å; E154-T158 PolarHBondContact O-N 3.41Å; E154-T158 VanDerWaalsContact O-N 3.09Å |
| 155 | E | 89.6 | Confident | 86.2 | Confident | 112 Ų | 112 | 89 Ų | 89 | 52% | 0.523 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 176.1 | -173.4 | 171.6 | -162.5 | 0 | 0 | 112 | L133 L151 Q157 T158 I159 | L133-E155 HydrophobicContact CD1-CB 3.89Å; L133-E155 HydrophobicContact CD1-CG 3.63Å; L151-E155 PolarHBondContact O-N 3.18Å; E155-Q157 VanDerWaalsContact C-N 3.29Å; E155-Q157 PolarHBondContact O-N 3.32Å; E155-T158 PolarHBondContact O-N 2.84Å; E155-T158 PolarHBondContact O-OG1 3.18Å; E155-I159 HydrophobicContact CG-CD1 3.98Å; E155-I159 HydrophobicContact CG-CG1 4.5Å; E155-I159 VanDerWaalsContact O-CG1 3.28Å; E155-I159 WeakPolarHBondContact O-CG1 3.42Å; E155-I159 PolarHBondContact O-N 3.34Å |
| 156 | R | 88.4 | Confident | 87.1 | Confident | 93 Ų | 93 | 87.1 Ų | 87.1 | 35% | 0.351 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.9 | -43.3 | 172.3 | -176.5 | -176.7 | 176.3 | 136.8 | 18.3 | 111.7 | L133 E134 A152 L153 E154 I159 D160 | L133-R156 HydrophobicContact CD2-CB 3.9Å; L133-R156 HydrophobicContact CD2-CG 4.41Å; E134-R156 IonicContact OE1-CZ 3.83Å; E134-R156 IonicContact OE1-NH1 2.82Å; E134-R156 PolarHBondContact OE1-NH1 3.05Å; E134-R156 IonicContact OE1-NH2 3.43Å; E134-R156 PolarHBondContact OE1-NH2 3.29Å; A152-R156 VanDerWaalsContact O-CB 3.28Å; A152-R156 WeakPolarHBondContact O-CB 3.33Å; A152-R156 PolarHBondContact O-N 3.39Å; L153-R156 PolarHBondContact O-N 3.15Å; E154-R156 VanDerWaalsContact C-N 3.34Å; E154-R156 PolarHBondContact O-N 3.3Å; R156-I159 PolarHBondContact O-N 3.46Å; R156-D160 IonicContact NE-OD2 3.08Å; R156-D160 WeakPolarHBondContact O-CB 3.28Å; R156-D160 PolarHBondContact O-N 3.25Å |
| 157 | Q | 89.1 | Confident | 87.7 | Confident | 123 Ų | 123 | 80.8 Ų | 80.8 | 58% | 0.575 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.8 | -39.7 | 179.4 | -74.3 | 178.9 | 11 | 0 | 0 | 112.2 | L153 E154 E155 D160 Q161 | L153-Q157 WeakPolarHBondContact O-CG 3.37Å; L153-Q157 PolarHBondContact O-N 2.94Å; E154-Q157 WeakPolarHBondContact O-CB 3.35Å; E154-Q157 PolarHBondContact O-N 3Å; E154-Q157 VanDerWaalsContact O-N 3.14Å; E155-Q157 VanDerWaalsContact C-N 3.29Å; E155-Q157 PolarHBondContact O-N 3.32Å; Q157-D160 PolarHBondContact O-N 2.92Å; Q157-Q161 VanDerWaalsContact O-CG 3.29Å; Q157-Q161 WeakPolarHBondContact O-CG 3.21Å; Q157-Q161 PolarHBondContact O-N 3.11Å |
| 158 | T | 91 | Very high | 88.1 | Confident | 81 Ų | 81 | 76.3 Ų | 76.3 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 177.6 | 59.1 | 0 | 0 | 0 | 0 | 111.2 | E154 E155 Q161 K162 | E154-T158 PolarHBondContact O-N 3.41Å; E154-T158 VanDerWaalsContact O-N 3.09Å; E155-T158 PolarHBondContact O-N 2.84Å; E155-T158 PolarHBondContact O-OG1 3.18Å; T158-Q161 PolarHBondContact O-N 3.05Å; T158-K162 PolarHBondContact O-N 3.49Å |
| 159 | I | 90.9 | Very high | 88.4 | Confident | 25 Ų | 25 | 76.7 Ų | 76.7 | 13% | 0.128 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.2 | -42 | 175.9 | -63.3 | 173.1 | 0 | 0 | 0 | 111.1 | T126 A129 I130 L133 E155 R156 Q161 K162 I163 | T126-I159 HydrophobicContact CG2-CG2 3.63Å; A129-I159 HydrophobicContact CB-CD1 4.45Å; I130-I159 HydrophobicContact CD1-CG2 3.88Å; I130-I159 HydrophobicContact CG1-CB 4.41Å; I130-I159 HydrophobicContact CG1-CG2 3.31Å; L133-I159 HydrophobicContact CD1-CD1 3.96Å; E155-I159 HydrophobicContact CG-CD1 3.98Å; E155-I159 HydrophobicContact CG-CG1 4.5Å; E155-I159 VanDerWaalsContact O-CG1 3.28Å; E155-I159 WeakPolarHBondContact O-CG1 3.42Å; E155-I159 PolarHBondContact O-N 3.34Å; R156-I159 PolarHBondContact O-N 3.46Å; I159-Q161 VanDerWaalsContact C-N 3.29Å; I159-Q161 PolarHBondContact O-N 3.01Å; I159-K162 PolarHBondContact O-N 3.25Å; I159-I163 PolarHBondContact O-N 3.47Å |
| 160 | D | 88.1 | Confident | 88.9 | Confident | 37 Ų | 37 | 72.9 Ų | 72.9 | 20% | 0.198 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.9 | -33.3 | 174.8 | -95.5 | -46 | 0 | 0 | 0 | 112 | K67 R156 Q157 I163 N164 | K67-D160 IonicContact NZ-OD1 3.49Å; K67-D160 PolarHBondContact NZ-OD1 3.49Å; R156-D160 IonicContact NE-OD2 3.08Å; R156-D160 WeakPolarHBondContact O-CB 3.28Å; R156-D160 PolarHBondContact O-N 3.25Å; Q157-D160 PolarHBondContact O-N 2.92Å; D160-I163 WeakPolarHBondContact O-CG2 3.49Å; D160-N164 VanDerWaalsContact O-CG 3.24Å; D160-N164 PolarHBondContact O-N 3.02Å; D160-N164 PolarHBondContact O-ND2 3.48Å |
| 161 | Q | 90 | Very high | 89 | Confident | 128 Ų | 128 | 68.9 Ų | 68.9 | 60% | 0.598 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -69.9 | -45 | 172.8 | -73.3 | 172.5 | 11.9 | 0 | 0 | 111.2 | Q157 T158 I159 I163 N164 M165 | Q157-Q161 VanDerWaalsContact O-CG 3.29Å; Q157-Q161 WeakPolarHBondContact O-CG 3.21Å; Q157-Q161 PolarHBondContact O-N 3.11Å; T158-Q161 PolarHBondContact O-N 3.05Å; I159-Q161 VanDerWaalsContact C-N 3.29Å; I159-Q161 PolarHBondContact O-N 3.01Å; Q161-I163 PolarHBondContact O-N 3.29Å; Q161-N164 PolarHBondContact O-N 3.25Å; Q161-M165 WeakPolarHBondContact O-CG 3.42Å; Q161-M165 PolarHBondContact O-N 2.84Å; Q161-M165 VanDerWaalsContact O-N 3.08Å |
| 162 | K | 91.8 | Very high | 88.9 | Confident | 93 Ų | 93 | 70.3 Ų | 70.3 | 40% | 0.404 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 178.2 | -173.2 | -178.5 | 178.9 | -169.3 | 0 | 111.4 | E122 T158 I159 N164 M165 L166 | E122-K162 WeakPolarHBondContact OE1-CE 3.41Å; E122-K162 IonicContact OE1-NZ 3.36Å; E122-K162 PolarHBondContact OE1-NZ 3.26Å; T158-K162 PolarHBondContact O-N 3.49Å; I159-K162 PolarHBondContact O-N 3.25Å; K162-N164 VanDerWaalsContact C-N 3.31Å; K162-N164 PolarHBondContact O-N 2.94Å; K162-M165 WeakPolarHBondContact O-CB 3.46Å; K162-M165 PolarHBondContact O-N 3.28Å; K162-M165 VanDerWaalsContact O-N 3.12Å; K162-L166 HydrophobicContact CG-CD1 4.3Å; K162-L166 WeakPolarHBondContact O-CG 3.4Å; K162-L166 PolarHBondContact O-N 2.96Å |
| 163 | I | 91.4 | Very high | 89 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.015 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.9 | -36.9 | -178.4 | -158.8 | 172.2 | 0 | 0 | 0 | 112.2 | T126 E127 I130 I159 D160 Q161 M165 L166 Y167 | T126-I163 HydrophobicContact CG2-CB 3.86Å; T126-I163 HydrophobicContact CG2-CD1 4.39Å; T126-I163 HydrophobicContact CG2-CG1 4.19Å; E127-I163 HydrophobicContact CG-CD1 3.52Å; I130-I163 HydrophobicContact CD1-CD1 3.74Å; I130-I163 HydrophobicContact CD1-CG2 4.35Å; I159-I163 PolarHBondContact O-N 3.47Å; D160-I163 WeakPolarHBondContact O-CG2 3.49Å; Q161-I163 PolarHBondContact O-N 3.29Å; I163-M165 VanDerWaalsContact C-N 3.34Å; I163-M165 PolarHBondContact O-N 2.99Å; I163-L166 PolarHBondContact O-N 3.49Å; I163-Y167 HydrophobicContact CD1-CE1 4.44Å; I163-Y167 HydrophobicContact CD1-CE2 4.27Å; I163-Y167 VanDerWaalsContact CD1-OH 3.27Å; I163-Y167 WeakPolarHBondContact CD1-OH 3.45Å; I163-Y167 HydrophobicContact CG1-CE1 4.05Å; I163-Y167 HydrophobicContact CG1-CE2 3.89Å; I163-Y167 HydrophobicContact CG2-CE2 4.44Å; I163-Y167 WeakPolarHBondContact O-CD2 3.42Å; I163-Y167 PolarHBondContact O-N 3.3Å |
| 164 | N | 89.1 | Confident | 89 | Confident | 54 Ų | 54 | 69.4 Ų | 69.4 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.6 | -36.5 | 175.7 | -74.5 | -39.1 | 0 | 0 | 0 | 112.1 | D160 Q161 K162 N168 | D160-N164 VanDerWaalsContact O-CG 3.24Å; D160-N164 PolarHBondContact O-N 3.02Å; D160-N164 PolarHBondContact O-ND2 3.48Å; Q161-N164 PolarHBondContact O-N 3.25Å; K162-N164 VanDerWaalsContact C-N 3.31Å; K162-N164 PolarHBondContact O-N 2.94Å; N164-N168 VanDerWaalsContact O-CG 3.25Å; N164-N168 PolarHBondContact O-N 3.44Å; N164-N168 VanDerWaalsContact O-N 3.16Å; N164-N168 PolarHBondContact O-ND2 2.75Å |
| 165 | M | 90.4 | Very high | 88.7 | Confident | 135 Ų | 135 | 68.1 Ų | 68.1 | 67% | 0.665 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64 | -45.4 | 173 | -71.1 | 177.8 | 59.2 | 0 | 0 | 111.3 | Q161 K162 I163 Y167 N168 E169 | Q161-M165 WeakPolarHBondContact O-CG 3.42Å; Q161-M165 PolarHBondContact O-N 2.84Å; Q161-M165 VanDerWaalsContact O-N 3.08Å; K162-M165 WeakPolarHBondContact O-CB 3.46Å; K162-M165 PolarHBondContact O-N 3.28Å; K162-M165 VanDerWaalsContact O-N 3.12Å; I163-M165 VanDerWaalsContact C-N 3.34Å; I163-M165 PolarHBondContact O-N 2.99Å; M165-Y167 PolarHBondContact O-N 3.39Å; M165-N168 WeakPolarHBondContact O-CB 3.35Å; M165-N168 PolarHBondContact O-N 3.33Å; M165-N168 VanDerWaalsContact O-N 3.14Å; M165-E169 PolarHBondContact O-N 2.97Å |
| 166 | L | 91.6 | Very high | 88.1 | Confident | 7 Ų | 7 | 67.5 Ų | 67.5 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.7 | -41 | 177.9 | -67.7 | 171 | 0 | 0 | 0 | 112.3 | E122 I123 K162 I163 N168 E169 L170 | E122-L166 HydrophobicContact CB-CD1 4.26Å; E122-L166 HydrophobicContact CB-CD2 4.3Å; E122-L166 HydrophobicContact CG-CD1 3.78Å; E122-L166 HydrophobicContact CG-CD2 4.06Å; E122-L166 WeakPolarHBondContact OE2-CD2 3.4Å; I123-L166 HydrophobicContact CD1-CB 4.24Å; I123-L166 HydrophobicContact CG1-CB 3.63Å; I123-L166 HydrophobicContact CG1-CD1 4.21Å; I123-L166 HydrophobicContact CG1-CG 4.48Å; K162-L166 HydrophobicContact CG-CD1 4.3Å; K162-L166 WeakPolarHBondContact O-CG 3.4Å; K162-L166 PolarHBondContact O-N 2.96Å; I163-L166 PolarHBondContact O-N 3.49Å; L166-N168 VanDerWaalsContact C-N 3.34Å; L166-N168 PolarHBondContact O-N 3.49Å; L166-E169 PolarHBondContact O-N 3.27Å; L166-L170 WeakPolarHBondContact O-CB 3.36Å; L166-L170 PolarHBondContact O-N 3.3Å |
| 167 | Y | 90.5 | Very high | 87.3 | Confident | 7 Ų | 7 | 71.6 Ų | 71.6 | 3% | 0.027 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 173.2 | -65.8 | -31.2 | 0 | 0 | 0 | 111.5 | K67 W70 I123 E127 I163 M165 E169 L170 F171 | K67-Y167 HydrophobicContact CB-CD2 4.28Å; K67-Y167 HydrophobicContact CB-CE2 4.22Å; K67-Y167 HydrophobicContact CG-CE2 4.04Å; W70-Y167 HydrophobicContact CB-CD1 3.98Å; W70-Y167 HydrophobicContact CB-CD2 4.43Å; W70-Y167 HydrophobicContact CB-CE1 3.88Å; W70-Y167 HydrophobicContact CB-CE2 4.32Å; W70-Y167 HydrophobicContact CB-CG 4.27Å; W70-Y167 AromaticContact CD1-CE1 3.25Å; W70-Y167 AromaticContact CD1-CZ 3.21Å; W70-Y167 AromaticContact CD2-CD1 3.92Å; W70-Y167 HydrophobicContact CD2-CD1 3.92Å; W70-Y167 AromaticContact CD2-CE1 3.51Å; W70-Y167 HydrophobicContact CD2-CE1 3.51Å; W70-Y167 AromaticContact CE2-CE1 3.61Å; W70-Y167 HydrophobicContact CE3-CD1 4.33Å; W70-Y167 HydrophobicContact CE3-CE1 4.31Å; W70-Y167 AromaticContact CG-CD1 3.75Å; W70-Y167 HydrophobicContact CG-CD1 3.75Å; W70-Y167 AromaticContact CG-CE1 3.26Å; W70-Y167 HydrophobicContact CG-CE1 3.26Å; W70-Y167 HydrophobicContact CG-CE2 4.33Å; W70-Y167 HydrophobicContact CG-CG 4.48Å; W70-Y167 AromaticContact CG-CZ 3.58Å; W70-Y167 HydrophobicContact CZ2-CE1 4.42Å; W70-Y167 AromaticContact NE1-CE1 3.43Å; W70-Y167 AromaticContact NE1-CZ 3.66Å; W70-Y167 PolarHBondContact NE1-OH 3.02Å; I123-Y167 HydrophobicContact CD1-CD1 3.95Å; I123-Y167 HydrophobicContact CD1-CE1 4.31Å; I123-Y167 HydrophobicContact CG1-CD1 4.36Å; I123-Y167 HydrophobicContact CG1-CE1 4.42Å; I123-Y167 HydrophobicContact CG2-CD1 4.42Å; I123-Y167 HydrophobicContact CG2-CE1 3.71Å; E127-Y167 PolarHBondContact OE1-OH 3.25Å; I163-Y167 HydrophobicContact CD1-CE1 4.44Å; I163-Y167 HydrophobicContact CD1-CE2 4.27Å; I163-Y167 VanDerWaalsContact CD1-OH 3.27Å; I163-Y167 WeakPolarHBondContact CD1-OH 3.45Å; I163-Y167 HydrophobicContact CG1-CE1 4.05Å; I163-Y167 HydrophobicContact CG1-CE2 3.89Å; I163-Y167 HydrophobicContact CG2-CE2 4.44Å; I163-Y167 WeakPolarHBondContact O-CD2 3.42Å; I163-Y167 PolarHBondContact O-N 3.3Å; M165-Y167 PolarHBondContact O-N 3.39Å; Y167-E169 VanDerWaalsContact C-N 3.32Å; Y167-E169 PolarHBondContact O-N 3.33Å; Y167-L170 PolarHBondContact O-N 3Å; Y167-F171 WeakPolarHBondContact O-CD2 3.41Å; Y167-F171 PolarHBondContact O-N 3.38Å |
| 168 | N | 87.6 | Confident | 86.9 | Confident | 63 Ų | 63 | 72 Ų | 72 | 34% | 0.337 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 178.3 | -67.9 | -28.4 | 0 | 0 | 0 | 111.9 | T66 N164 M165 L166 F171 Q172 | T66-N168 WeakPolarHBondContact CB-OD1 3.38Å; T66-N168 WeakPolarHBondContact CG2-OD1 3.27Å; T66-N168 PolarHBondContact OG1-OD1 3.14Å; N164-N168 VanDerWaalsContact O-CG 3.25Å; N164-N168 PolarHBondContact O-N 3.44Å; N164-N168 VanDerWaalsContact O-N 3.16Å; N164-N168 PolarHBondContact O-ND2 2.75Å; M165-N168 WeakPolarHBondContact O-CB 3.35Å; M165-N168 PolarHBondContact O-N 3.33Å; M165-N168 VanDerWaalsContact O-N 3.14Å; L166-N168 VanDerWaalsContact C-N 3.34Å; L166-N168 PolarHBondContact O-N 3.49Å; N168-F171 PolarHBondContact O-N 3.28Å; N168-Q172 WeakPolarHBondContact O-CG 3.43Å; N168-Q172 PolarHBondContact O-N 3.09Å |
| 169 | E | 89.1 | Confident | 86.4 | Confident | 102 Ų | 102 | 76.3 Ų | 76.3 | 48% | 0.477 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 177.8 | -169.7 | 174.1 | -179.1 | 0 | 0 | 111.6 | I119 M165 L166 Y167 F171 Q172 S173 | I119-E169 HydrophobicContact CD1-CG 3.87Å; I119-E169 HydrophobicContact CG1-CG 4.41Å; M165-E169 PolarHBondContact O-N 2.97Å; L166-E169 PolarHBondContact O-N 3.27Å; Y167-E169 VanDerWaalsContact C-N 3.32Å; Y167-E169 PolarHBondContact O-N 3.33Å; E169-F171 PolarHBondContact O-N 3.18Å; E169-Q172 PolarHBondContact O-N 2.97Å; E169-S173 WeakPolarHBondContact O-CB 3.45Å; E169-S173 PolarHBondContact O-N 3.07Å |
| 170 | L | 89.9 | Confident | 86 | Confident | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58 | -48.2 | 175.5 | -172.7 | 73.4 | 0 | 0 | 0 | 111.5 | W70 M79 L116 I119 I123 L166 Y167 Q172 S173 L174 | W70-L170 HydrophobicContact CE3-CD2 3.83Å; W70-L170 HydrophobicContact CH2-CD2 4.24Å; W70-L170 HydrophobicContact CZ3-CD2 3.34Å; M79-L170 HydrophobicContact CE-CD1 3.82Å; M79-L170 HydrophobicContact CE-CD2 3.6Å; M79-L170 HydrophobicContact CE-CG 3.74Å; M79-L170 HydrophobicContact SD-CD1 4.1Å; M79-L170 HydrophobicContact SD-CD2 4.28Å; L116-L170 HydrophobicContact CG-CD1 4.24Å; I119-L170 HydrophobicContact CB-CD1 4.23Å; I119-L170 HydrophobicContact CG2-CB 3.82Å; I119-L170 HydrophobicContact CG2-CD1 3.83Å; I119-L170 HydrophobicContact CG2-CG 4.42Å; I123-L170 HydrophobicContact CD1-CB 4.17Å; I123-L170 HydrophobicContact CD1-CD2 3.8Å; I123-L170 HydrophobicContact CD1-CG 4.42Å; L166-L170 WeakPolarHBondContact O-CB 3.36Å; L166-L170 PolarHBondContact O-N 3.3Å; Y167-L170 PolarHBondContact O-N 3Å; L170-Q172 VanDerWaalsContact C-N 3.31Å; L170-Q172 PolarHBondContact O-N 3.44Å; L170-S173 PolarHBondContact O-N 2.92Å; L170-S173 VanDerWaalsContact O-N 3.16Å; L170-L174 WeakPolarHBondContact O-CG 3.47Å; L170-L174 PolarHBondContact O-N 3.1Å |
| 171 | F | 86.6 | Confident | 85.6 | Confident | 43 Ų | 43 | 85.2 Ų | 85.2 | 19% | 0.189 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 178.8 | -76.5 | -65.1 | 0 | 0 | 0 | 112.6 | T66 L69 L75 Y167 N168 E169 S173 L174 | T66-F171 HydrophobicContact CG2-CD2 3.58Å; T66-F171 HydrophobicContact CG2-CE2 4.01Å; T66-F171 HydrophobicContact CG2-CG 4.46Å; T66-F171 WeakPolarHBondContact O-CE2 3.48Å; L69-F171 HydrophobicContact CB-CE1 3.95Å; L69-F171 HydrophobicContact CB-CE2 4Å; L69-F171 HydrophobicContact CB-CZ 3.37Å; L69-F171 HydrophobicContact CD1-CE1 4.42Å; L69-F171 HydrophobicContact CD1-CZ 4.36Å; L75-F171 HydrophobicContact CD2-CE1 3.51Å; L75-F171 HydrophobicContact CD2-CZ 3.42Å; L75-F171 VanDerWaalsContact CD2-CZ 3.42Å; Y167-F171 WeakPolarHBondContact O-CD2 3.41Å; Y167-F171 PolarHBondContact O-N 3.38Å; N168-F171 PolarHBondContact O-N 3.28Å; E169-F171 PolarHBondContact O-N 3.18Å; F171-S173 VanDerWaalsContact C-N 3.34Å; F171-L174 HydrophobicContact CD1-CD1 4.13Å |
| 172 | Q | 84.8 | Confident | 85.2 | Confident | 134 Ų | 134 | 87.9 Ų | 87.9 | 63% | 0.626 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -68.9 | -33.7 | 174.3 | -72.6 | -179.7 | 20.4 | 0 | 0 | 112.5 | N168 E169 L170 | N168-Q172 WeakPolarHBondContact O-CG 3.43Å; N168-Q172 PolarHBondContact O-N 3.09Å; E169-Q172 PolarHBondContact O-N 2.97Å; L170-Q172 VanDerWaalsContact C-N 3.31Å; L170-Q172 PolarHBondContact O-N 3.44Å |
| 173 | S | 85.7 | Confident | 84.9 | Confident | 51 Ų | 51 | 87.9 Ų | 87.9 | 36% | 0.357 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -76.2 | -28.4 | 177.5 | -172.3 | 0 | 0 | 0 | 0 | 112.9 | E169 L170 F171 V175 | E169-S173 WeakPolarHBondContact O-CB 3.45Å; E169-S173 PolarHBondContact O-N 3.07Å; L170-S173 PolarHBondContact O-N 2.92Å; L170-S173 VanDerWaalsContact O-N 3.16Å; F171-S173 VanDerWaalsContact C-N 3.34Å; S173-V175 VanDerWaalsContact C-N 3.35Å |
| 174 | L | 85.6 | Confident | 84.8 | Confident | 43 Ų | 43 | 90.5 Ų | 90.5 | 23% | 0.225 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -68.2 | -34.4 | 178.2 | -84.2 | 173 | 0 | 0 | 0 | 113.1 | L75 Y78 M79 L116 L170 F171 P176 | L75-L174 HydrophobicContact CD1-CD1 4.02Å; Y78-L174 HydrophobicContact CD1-CD2 4.48Å; Y78-L174 HydrophobicContact CE1-CD2 3.81Å; M79-L174 HydrophobicContact CE-CD1 3.41Å; M79-L174 VanDerWaalsContact CE-CD1 3.41Å; M79-L174 HydrophobicContact CE-CD2 3.49Å; M79-L174 VanDerWaalsContact CE-CD2 3.49Å; M79-L174 HydrophobicContact CE-CG 3.65Å; L116-L174 HydrophobicContact CD1-CD2 3.73Å; L116-L174 HydrophobicContact CD1-CG 4.21Å; L170-L174 WeakPolarHBondContact O-CG 3.47Å; L170-L174 PolarHBondContact O-N 3.1Å; F171-L174 HydrophobicContact CD1-CD1 4.13Å; L174-P176 WeakPolarHBondContact O-CD 3.42Å |
| 175 | V | 81.4 | Confident | 84.8 | Confident | 97 Ų | 97 | 91.9 Ų | 91.9 | 59% | 0.588 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -87.9 | 112.1 | 179.8 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | S173 K177 | S173-V175 VanDerWaalsContact C-N 3.35Å; V175-K177 PolarHBondContact O-N 2.96Å |
| 176 | P | 77.3 | Confident | 84.7 | Confident | 98 Ų | 98 | 90.4 Ų | 90.4 | 64% | 0.636 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 131.7 | 176.7 | 26.5 | -32.9 | 0 | 0 | 0 | 108.8 | L174 E178 | L174-P176 WeakPolarHBondContact O-CD 3.42Å; P176-E178 PolarHBondContact O-N 2.92Å |
| 177 | K | 72 | Confident | 84.5 | Confident | 180 Ų | 180 | 92.5 Ų | 92.5 | 78% | 0.783 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -72 | 120.5 | 175 | -66.6 | -179.9 | -178.8 | 172 | 0 | 108.8 | V175 | V175-K177 PolarHBondContact O-N 2.96Š|
| 178 | E | 80 | Confident | 84.5 | Confident | 131 Ų | 131 | 98 Ų | 98 | 61% | 0.612 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -90.7 | 154.5 | 173.5 | -61 | -164.8 | 171.7 | 0 | 0 | 111.1 | P176 Y180 D181 | P176-E178 PolarHBondContact O-N 2.92Å; E178-Y180 PolarHBondContact O-N 3.33Å; E178-Y180 VanDerWaalsContact O-N 3.12Å; E178-D181 PolarHBondContact N-OD2 3.04Å; E178-D181 PolarHBondContact O-N 3.03Å |
| 179 | K | 81 | Confident | 84.5 | Confident | 171 Ų | 171 | 97 Ų | 97 | 74% | 0.743 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -29.5 | -179.6 | -177.3 | 179.8 | 173.9 | -170.1 | 0 | 112.6 | ||
| 180 | Y | 81.3 | Confident | 84.4 | Confident | 149 Ų | 149 | 96.7 Ų | 96.7 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 2.4 | -170.4 | -51.5 | -59.9 | 0 | 0 | 0 | 113.7 | E178 K182 N183 | E178-Y180 PolarHBondContact O-N 3.33Å; E178-Y180 VanDerWaalsContact O-N 3.12Å; Y180-K182 PolarHBondContact O-N 3.49Å; Y180-K182 VanDerWaalsContact O-N 3.09Å; Y180-N183 WeakPolarHBondContact CD1-ND2 3.3Å; Y180-N183 WeakPolarHBondContact O-CB 3.41Å; Y180-N183 PolarHBondContact O-N 3.16Å |
| 181 | D | 81.1 | Confident | 84.3 | Confident | 101 Ų | 101 | 98.4 Ų | 98.4 | 54% | 0.54 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.3 | -178 | -76 | -17.6 | 0 | 0 | 0 | 113.9 | E178 | E178-D181 PolarHBondContact N-OD2 3.04Å; E178-D181 PolarHBondContact O-N 3.03Å |
| 182 | K | 81 | Confident | 84 | Confident | 184 Ų | 184 | 98.5 Ų | 98.5 | 80% | 0.8 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -4 | -179.4 | -62.9 | -175.6 | 179.9 | -178.8 | 0 | 113.5 | Y180 | Y180-K182 PolarHBondContact O-N 3.49Å; Y180-K182 VanDerWaalsContact O-N 3.09Å |
| 183 | N | 86.6 | Confident | 83.4 | Confident | 92 Ų | 92 | 103.1 Ų | 103.1 | 49% | 0.492 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -88.2 | 147 | -174.1 | -70 | -4.2 | 0 | 0 | 0 | 110.9 | Y180 | Y180-N183 WeakPolarHBondContact CD1-ND2 3.3Å; Y180-N183 WeakPolarHBondContact O-CB 3.41Å; Y180-N183 PolarHBondContact O-N 3.16Å |
| 184 | D | 88.2 | Confident | 82.7 | Confident | 58 Ų | 58 | 105.4 Ų | 105.4 | 31% | 0.31 | 54% | 0.537 | S | S | . | . | trans | -62.9 | 145 | 169.4 | -55.9 | -3.1 | 0 | 0 | 0 | 110.2 | L9 F10 R11 | L9-D184 HydrophobicContact CD2-CB 3.76Å; L9-D184 VanDerWaalsContact CD2-OD2 3.32Å; L9-D184 WeakPolarHBondContact CD2-OD2 3.39Å; F10-D184 WeakPolarHBondContact O-CA 3.29Å; F10-D184 WeakPolarHBondContact O-CB 3.5Å; R11-D184 WeakPolarHBondContact CA-OD1 3.25Å; R11-D184 WeakPolarHBondContact CG-OD2 3.39Å | ||
| 185 | V | 88.3 | Confident | 81.5 | Confident | 84 Ų | 84 | 110.9 Ų | 110.9 | 51% | 0.509 | 57% | 0.572 | S | S | . | * | trans | -108.7 | 145.3 | -177.1 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | W8 F10 | W8-V185 CarbonylContact C-O 3.52Å; F10-V185 HydrophobicContact CD2-CB 4.05Å; F10-V185 WeakPolarHBondContact CD2-O 3.39Å; F10-V185 PolarHBondContact N-O 3.16Å | ||
| 186 | I | 88.9 | Confident | 80.7 | Confident | 103 Ų | 103 | 107.9 Ų | 107.9 | 53% | 0.528 | 56% | 0.561 | S | S | . | * | trans | -102.5 | 123.6 | 166.9 | -68.2 | 158.6 | 0 | 0 | 0 | 107.8 | V7 W8 | V7-I186 HydrophobicContact CB-CG2 4.2Å; V7-I186 HydrophobicContact CG1-CB 4.24Å; V7-I186 HydrophobicContact CG1-CD1 3.64Å; V7-I186 HydrophobicContact CG1-CG1 3.67Å; V7-I186 HydrophobicContact CG1-CG2 3.51Å; W8-I186 WeakPolarHBondContact O-CA 3.33Å; W8-I186 WeakPolarHBondContact O-CB 3.46Å; W8-I186 WeakPolarHBondContact O-CG1 3.35Å | ||
| 187 | L | 87.8 | Confident | 80.5 | Confident | 52 Ų | 52 | 104.7 Ų | 104.7 | 27% | 0.272 | 55% | 0.546 | S | S | . | . | trans | -109.8 | 92 | 178.7 | -178.3 | 68.6 | 0 | 0 | 0 | 112.2 | W8 V189 Y211 | W8-L187 HydrophobicContact CG-CB 4.48Å; W8-L187 PolarHBondContact NE1-O 3.42Å; L187-V189 HydrophobicContact CD2-CG2 4.04Å; L187-V189 HydrophobicContact CG-CG2 3.91Å; L187-V189 PolarHBondContact O-N 3.33Å; L187-Y211 HydrophobicContact CD2-CD1 4.3Å; L187-Y211 HydrophobicContact CD2-CD2 3.74Å; L187-Y211 HydrophobicContact CD2-CE2 4.35Å; L187-Y211 HydrophobicContact CD2-CG 3.72Å | ||
| 188 | E | 90 | Very high | 81 | Confident | 123 Ų | 123 | 102.4 Ų | 102.4 | 58% | 0.575 | 54% | 0.543 | S | S | * | . | trans | -75.2 | 116.1 | 174.1 | -168.9 | -173.3 | 155.2 | 0 | 0 | 111 | T190 | E188-T190 PolarHBondContact OE1-OG1 3.32Š| ||
| 189 | V | 87.6 | Confident | 81.2 | Confident | 41 Ų | 41 | 102.1 Ų | 102.1 | 25% | 0.248 | 54% | 0.544 | C | S | . | . | trans | -108.2 | 103.2 | 175.2 | -165.5 | 0 | 0 | 0 | 0 | 109.2 | L187 T204 I207 | L187-V189 HydrophobicContact CD2-CG2 4.04Å; L187-V189 HydrophobicContact CG-CG2 3.91Å; L187-V189 PolarHBondContact O-N 3.33Å; V189-T204 HydrophobicContact CB-CG2 4.37Å; V189-T204 HydrophobicContact CG1-CG2 3.65Å; V189-I207 HydrophobicContact CG1-CB 4.37Å; V189-I207 HydrophobicContact CG1-CG2 4Å | ||
| 190 | T | 87.8 | Confident | 81.5 | Confident | 95 Ų | 95 | 95.4 Ų | 95.4 | 58% | 0.583 | 52% | 0.518 | S | S | * | . | trans | -113 | 135.4 | -175.2 | -65.3 | 0 | 0 | 0 | 0 | 111.1 | E188 | E188-T190 PolarHBondContact OE1-OG1 3.32Š| ||
| 191 | A | 86.9 | Confident | 81.8 | Confident | 37 Ų | 37 | 94.2 Ų | 94.2 | 31% | 0.306 | 52% | 0.518 | S | S | . | . | trans | -71.5 | 132 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q201 T204 | A191-Q201 HydrophobicContact CB-CG 4.32Å; A191-T204 VanDerWaalsContact CA-OG1 3.28Å; A191-T204 WeakPolarHBondContact CA-OG1 3.43Å; A191-T204 WeakPolarHBondContact CB-OG1 3.34Å | ||
| 192 | G | 80.5 | Confident | 82.2 | Confident | 45 Ų | 45 | 94.9 Ų | 94.9 | 46% | 0.464 | 52% | 0.518 | S | S | . | . | trans | -62.3 | 154.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 193 | R | 71.7 | Confident | 82.6 | Confident | 230 Ų | 230 | 91.9 Ų | 91.9 | 87% | 0.868 | 51% | 0.505 | S | S | * | . | trans | -98.3 | 26.1 | 179.7 | -64.8 | -169.9 | -173.8 | 179.4 | 5.2 | 114.3 | ||||
| 194 | T | 72.7 | Confident | 82.8 | Confident | 100 Ų | 100 | 88.8 Ų | 88.8 | 61% | 0.613 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -89.1 | 161.7 | -179.2 | 44.3 | 0 | 0 | 0 | 0 | 112.2 | G196 | T194-G196 PolarHBondContact O-N 3.11Š|
| 195 | T | 59.5 | Low | 82.9 | Confident | 157 Ų | 157 | 94 Ų | 94 | 96% | 0.963 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -51.6 | 122 | 175.5 | -44.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 196 | G | 64.5 | Low | 83.1 | Confident | 34 Ų | 34 | 94.7 Ų | 94.7 | 35% | 0.351 | 50% | 0.503 | S | S | . | . | trans | 108.2 | 33.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T194 D198 I199 C200 | T194-G196 PolarHBondContact O-N 3.11Å; G196-D198 VanDerWaalsContact C-N 3.26Å; G196-D198 PolarHBondContact O-N 3.08Å; G196-D198 VanDerWaalsContact O-N 3.12Å; G196-I199 WeakPolarHBondContact O-CB 3.37Å; G196-I199 PolarHBondContact O-N 3.03Å; G196-C200 PolarHBondContact O-N 3.38Å; G196-C200 VanDerWaalsContact O-N 3.15Å | ||
| 197 | G | 73.3 | Confident | 83.3 | Confident | 32 Ų | 32 | 91.9 Ų | 91.9 | 33% | 0.33 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -51.5 | -36.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | I199 C200 Q201 | G197-I199 PolarHBondContact O-N 2.89Å; G197-C200 PolarHBondContact O-N 2.89Å; G197-Q201 WeakPolarHBondContact O-CG 3.39Å; G197-Q201 PolarHBondContact O-N 2.97Å |
| 198 | D | 81.5 | Confident | 83.5 | Confident | 131 Ų | 131 | 91.6 Ų | 91.6 | 70% | 0.701 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.9 | -36.7 | 178.7 | -61.8 | -17.3 | 0 | 0 | 0 | 112.2 | G196 Q201 Q202 | G196-D198 VanDerWaalsContact C-N 3.26Å; G196-D198 PolarHBondContact O-N 3.08Å; G196-D198 VanDerWaalsContact O-N 3.12Å; D198-Q201 PolarHBondContact O-N 3.08Å; D198-Q202 PolarHBondContact O-N 2.91Å |
| 199 | I | 85.8 | Confident | 83.6 | Confident | 126 Ų | 126 | 88.7 Ų | 88.7 | 65% | 0.646 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.4 | -41.2 | 175.7 | -59.1 | 169.8 | 0 | 0 | 0 | 109.6 | G196 G197 Q201 Q202 F203 | G196-I199 WeakPolarHBondContact O-CB 3.37Å; G196-I199 PolarHBondContact O-N 3.03Å; G197-I199 PolarHBondContact O-N 2.89Å; I199-Q201 VanDerWaalsContact C-N 3.34Å; I199-Q201 PolarHBondContact O-N 2.75Å; I199-Q202 PolarHBondContact O-N 3.33Å; I199-F203 WeakPolarHBondContact O-CB 3.47Å; I199-F203 PolarHBondContact O-N 3.27Å |
| 200 | C | 86.7 | Confident | 83.9 | Confident | 30 Ų | 30 | 91.1 Ų | 91.1 | 20% | 0.203 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 175.5 | -65.6 | 0 | 0 | 0 | 0 | 111.6 | G196 G197 F203 T204 | G196-C200 PolarHBondContact O-N 3.38Å; G196-C200 VanDerWaalsContact O-N 3.15Å; G197-C200 PolarHBondContact O-N 2.89Å; C200-F203 PolarHBondContact O-N 3.24Å; C200-T204 WeakPolarHBondContact O-CB 3.33Å; C200-T204 PolarHBondContact O-N 2.94Å; C200-T204 PolarHBondContact O-OG1 3.09Å |
| 201 | Q | 86.8 | Confident | 84.2 | Confident | 123 Ų | 123 | 91.3 Ų | 91.3 | 58% | 0.575 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 176 | -72.2 | 175.3 | 19.7 | 0 | 0 | 112.2 | A191 G197 D198 I199 F203 T204 R205 | A191-Q201 HydrophobicContact CB-CG 4.32Å; G197-Q201 WeakPolarHBondContact O-CG 3.39Å; G197-Q201 PolarHBondContact O-N 2.97Å; D198-Q201 PolarHBondContact O-N 3.08Å; I199-Q201 VanDerWaalsContact C-N 3.34Å; I199-Q201 PolarHBondContact O-N 2.75Å; Q201-F203 VanDerWaalsContact C-N 3.35Å; Q201-T204 PolarHBondContact O-N 3.47Å; Q201-R205 PolarHBondContact O-N 3.36Å |
| 202 | Q | 89.3 | Confident | 84.3 | Confident | 115 Ų | 115 | 92.9 Ų | 92.9 | 54% | 0.537 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 175.5 | -176.3 | 178.5 | -23.8 | 0 | 0 | 111 | D198 I199 R205 E206 | D198-Q202 PolarHBondContact O-N 2.91Å; I199-Q202 PolarHBondContact O-N 3.33Å; Q202-R205 WeakPolarHBondContact O-CB 3.41Å; Q202-R205 PolarHBondContact O-N 3.49Å; Q202-E206 PolarHBondContact NE2-OE1 3.26Å; Q202-E206 WeakPolarHBondContact O-CG 3.39Å; Q202-E206 PolarHBondContact O-N 2.94Å |
| 203 | F | 89.2 | Confident | 84.9 | Confident | 122 Ų | 122 | 95.8 Ų | 95.8 | 54% | 0.535 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 178.4 | -176.6 | -105.2 | 0 | 0 | 0 | 112.6 | I199 C200 Q201 R205 E206 I207 | I199-F203 WeakPolarHBondContact O-CB 3.47Å; I199-F203 PolarHBondContact O-N 3.27Å; C200-F203 PolarHBondContact O-N 3.24Å; Q201-F203 VanDerWaalsContact C-N 3.35Å; F203-R205 PolarHBondContact O-N 2.95Å; F203-E206 PolarHBondContact O-N 3.4Å; F203-E206 VanDerWaalsContact O-N 3.1Å; F203-I207 HydrophobicContact CD1-CG1 4.13Å; F203-I207 HydrophobicContact CE1-CD1 4.16Å; F203-I207 HydrophobicContact CE1-CG1 3.67Å; F203-I207 HydrophobicContact CE2-CD1 4.18Å; F203-I207 HydrophobicContact CE2-CG1 4.17Å; F203-I207 HydrophobicContact CZ-CD1 3.72Å; F203-I207 HydrophobicContact CZ-CG1 3.7Å; F203-I207 WeakPolarHBondContact O-CG1 3.45Å; F203-I207 PolarHBondContact O-N 3.17Å |
| 204 | T | 91.1 | Very high | 85.8 | Confident | 27 Ų | 27 | 89.7 Ų | 89.7 | 17% | 0.166 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -55.1 | -42.2 | 173.1 | -63.4 | 0 | 0 | 0 | 0 | 111 | V189 A191 C200 Q201 F208 | V189-T204 HydrophobicContact CB-CG2 4.37Å; V189-T204 HydrophobicContact CG1-CG2 3.65Å; A191-T204 VanDerWaalsContact CA-OG1 3.28Å; A191-T204 WeakPolarHBondContact CA-OG1 3.43Å; A191-T204 WeakPolarHBondContact CB-OG1 3.34Å; C200-T204 WeakPolarHBondContact O-CB 3.33Å; C200-T204 PolarHBondContact O-N 2.94Å; C200-T204 PolarHBondContact O-OG1 3.09Å; Q201-T204 PolarHBondContact O-N 3.47Å; T204-F208 WeakPolarHBondContact O-CB 3.48Å; T204-F208 PolarHBondContact O-N 3.34Å |
| 205 | R | 90.2 | Very high | 86.8 | Confident | 166 Ų | 166 | 84.9 Ų | 84.9 | 63% | 0.626 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.2 | -41.1 | 175.8 | -177.5 | 179.8 | -178.1 | 163.7 | 8.6 | 112.7 | Q201 Q202 F203 F208 D209 | Q201-R205 PolarHBondContact O-N 3.36Å; Q202-R205 WeakPolarHBondContact O-CB 3.41Å; Q202-R205 PolarHBondContact O-N 3.49Å; F203-R205 PolarHBondContact O-N 2.95Å; R205-F208 WeakPolarHBondContact O-CB 3.29Å; R205-F208 PolarHBondContact O-N 2.71Å; R205-D209 PolarHBondContact O-N 3.03Å |
| 206 | E | 93.6 | Very high | 88.1 | Confident | 100 Ų | 100 | 81.2 Ų | 81.2 | 47% | 0.467 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 178 | -71.8 | 172.2 | -169.3 | 0 | 0 | 111.8 | Q202 F203 F208 D209 M210 | Q202-E206 PolarHBondContact NE2-OE1 3.26Å; Q202-E206 WeakPolarHBondContact O-CG 3.39Å; Q202-E206 PolarHBondContact O-N 2.94Å; F203-E206 PolarHBondContact O-N 3.4Å; F203-E206 VanDerWaalsContact O-N 3.1Å; E206-F208 VanDerWaalsContact C-N 3.34Å; E206-D209 PolarHBondContact O-N 3.23Å; E206-M210 WeakPolarHBondContact O-CB 3.42Å; E206-M210 PolarHBondContact O-N 3.09Å |
| 207 | I | 93.8 | Very high | 89.2 | Confident | 44 Ų | 44 | 85.3 Ų | 85.3 | 23% | 0.226 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 173.9 | -68.1 | -63.1 | 0 | 0 | 0 | 111.1 | V189 F203 M210 Y211 | V189-I207 HydrophobicContact CG1-CB 4.37Å; V189-I207 HydrophobicContact CG1-CG2 4Å; F203-I207 HydrophobicContact CD1-CG1 4.13Å; F203-I207 HydrophobicContact CE1-CD1 4.16Å; F203-I207 HydrophobicContact CE1-CG1 3.67Å; F203-I207 HydrophobicContact CE2-CD1 4.18Å; F203-I207 HydrophobicContact CE2-CG1 4.17Å; F203-I207 HydrophobicContact CZ-CD1 3.72Å; F203-I207 HydrophobicContact CZ-CG1 3.7Å; F203-I207 WeakPolarHBondContact O-CG1 3.45Å; F203-I207 PolarHBondContact O-N 3.17Å; I207-M210 HydrophobicContact CD1-CE 4.21Å; I207-M210 WeakPolarHBondContact O-CB 3.39Å; I207-M210 PolarHBondContact O-N 3.43Å; I207-Y211 HydrophobicContact CG2-CD2 3.7Å; I207-Y211 HydrophobicContact CG2-CE2 3.72Å; I207-Y211 VanDerWaalsContact O-CD2 3.28Å; I207-Y211 WeakPolarHBondContact O-CD2 3.49Å; I207-Y211 PolarHBondContact O-N 2.95Å |
| 208 | F | 90.8 | Very high | 89.8 | Confident | 46 Ų | 46 | 87.1 Ų | 87.1 | 20% | 0.202 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.4 | -53.7 | 174.7 | 176.3 | -97.8 | 0 | 0 | 0 | 111.8 | W8 T204 R205 E206 M210 Y211 Q212 F222 L224 | W8-F208 HydrophobicContact CH2-CD2 4.12Å; W8-F208 AromaticContact CH2-CE2 3.07Å; W8-F208 HydrophobicContact CH2-CE2 3.07Å; W8-F208 AromaticContact CH2-CZ 3.61Å; W8-F208 HydrophobicContact CH2-CZ 3.61Å; W8-F208 HydrophobicContact CZ2-CD2 4.11Å; W8-F208 AromaticContact CZ2-CE2 3.47Å; W8-F208 HydrophobicContact CZ2-CE2 3.47Å; W8-F208 VanDerWaalsContact CZ2-CE2 3.47Å; W8-F208 HydrophobicContact CZ2-CZ 4.38Å; W8-F208 AromaticContact CZ3-CE2 3.68Å; W8-F208 HydrophobicContact CZ3-CE2 3.68Å; W8-F208 HydrophobicContact CZ3-CZ 4.08Å; T204-F208 WeakPolarHBondContact O-CB 3.48Å; T204-F208 PolarHBondContact O-N 3.34Å; R205-F208 WeakPolarHBondContact O-CB 3.29Å; R205-F208 PolarHBondContact O-N 2.71Å; E206-F208 VanDerWaalsContact C-N 3.34Å; F208-M210 VanDerWaalsContact C-N 3.26Å; F208-M210 PolarHBondContact O-N 2.96Å; F208-Y211 PolarHBondContact O-N 3.32Å; F208-Q212 WeakPolarHBondContact O-CB 3.49Å; F208-Q212 PolarHBondContact O-N 3.28Å; F208-F222 HydrophobicContact CE2-CE1 4.17Å; F208-F222 AromaticContact CE2-CZ 3.58Å; F208-F222 HydrophobicContact CE2-CZ 3.58Å; F208-F222 AromaticContact CZ-CE1 3.89Å; F208-F222 HydrophobicContact CZ-CE1 3.89Å; F208-F222 AromaticContact CZ-CZ 3.74Å; F208-F222 HydrophobicContact CZ-CZ 3.74Å; F208-L224 HydrophobicContact CZ-CD1 4.35Å |
| 209 | D | 92.3 | Very high | 90.1 | Very high | 61 Ų | 61 | 88.4 Ų | 88.4 | 33% | 0.326 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 179.7 | -70.1 | -17.6 | 0 | 0 | 0 | 110.9 | R205 E206 N213 | R205-D209 PolarHBondContact O-N 3.03Å; E206-D209 PolarHBondContact O-N 3.23Å; D209-N213 WeakPolarHBondContact O-CB 3.48Å; D209-N213 VanDerWaalsContact O-CG 3.23Å; D209-N213 PolarHBondContact O-N 3.29Å; D209-N213 PolarHBondContact O-ND2 3.28Å |
| 210 | M | 94.7 | Very high | 90.3 | Very high | 93 Ų | 93 | 87.6 Ų | 87.6 | 46% | 0.458 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.8 | -51.7 | 176.3 | -177.4 | -166.3 | 70.5 | 0 | 0 | 111.8 | E206 I207 F208 N213 Y214 | E206-M210 WeakPolarHBondContact O-CB 3.42Å; E206-M210 PolarHBondContact O-N 3.09Å; I207-M210 HydrophobicContact CD1-CE 4.21Å; I207-M210 WeakPolarHBondContact O-CB 3.39Å; I207-M210 PolarHBondContact O-N 3.43Å; F208-M210 VanDerWaalsContact C-N 3.26Å; F208-M210 PolarHBondContact O-N 2.96Å; M210-N213 PolarHBondContact O-N 3.24Å; M210-Y214 WeakPolarHBondContact O-CB 3.3Å; M210-Y214 PolarHBondContact O-N 2.82Å |
| 211 | Y | 93.7 | Very high | 90.3 | Very high | 98 Ų | 98 | 91.7 Ų | 91.7 | 38% | 0.384 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.2 | -33.5 | -179 | -79.7 | -69.4 | 0 | 0 | 0 | 112.5 | L187 I207 F208 Y214 S215 | L187-Y211 HydrophobicContact CD2-CD1 4.3Å; L187-Y211 HydrophobicContact CD2-CD2 3.74Å; L187-Y211 HydrophobicContact CD2-CE2 4.35Å; L187-Y211 HydrophobicContact CD2-CG 3.72Å; I207-Y211 HydrophobicContact CG2-CD2 3.7Å; I207-Y211 HydrophobicContact CG2-CE2 3.72Å; I207-Y211 VanDerWaalsContact O-CD2 3.28Å; I207-Y211 WeakPolarHBondContact O-CD2 3.49Å; I207-Y211 PolarHBondContact O-N 2.95Å; F208-Y211 PolarHBondContact O-N 3.32Å; Y211-Y214 PolarHBondContact O-N 2.97Å; Y211-S215 PolarHBondContact O-N 3.43Å |
| 212 | Q | 89.6 | Confident | 90.3 | Very high | 70 Ų | 70 | 88.3 Ų | 88.3 | 33% | 0.327 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.5 | -51.1 | 171.3 | -176 | 178.5 | 14.3 | 0 | 0 | 110.5 | F208 Y214 S215 C216 F222 | F208-Q212 WeakPolarHBondContact O-CB 3.49Å; F208-Q212 PolarHBondContact O-N 3.28Å; Q212-Y214 VanDerWaalsContact C-N 3.29Å; Q212-Y214 PolarHBondContact O-N 3.48Å; Q212-S215 PolarHBondContact O-N 3.06Å; Q212-S215 PolarHBondContact O-OG 3.4Å; Q212-C216 PolarHBondContact O-N 2.99Å; Q212-C216 VanDerWaalsContact O-N 3.16Å; Q212-C216 PolarHBondContact O-SG 2.91Å; Q212-F222 HydrophobicContact CB-CE1 4.13Å; Q212-F222 HydrophobicContact CB-CE2 4.23Å; Q212-F222 HydrophobicContact CB-CZ 3.87Å; Q212-F222 HydrophobicContact CG-CD1 4.02Å; Q212-F222 HydrophobicContact CG-CE1 3.77Å; Q212-F222 HydrophobicContact CG-CG 4.47Å; Q212-F222 HydrophobicContact CG-CZ 4.04Å |
| 213 | N | 92.1 | Very high | 90.3 | Very high | 106 Ų | 106 | 88 Ų | 88 | 57% | 0.567 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.3 | -36.3 | 177.7 | -71.5 | -43.7 | 0 | 0 | 0 | 112.3 | D209 M210 C216 Y217 | D209-N213 WeakPolarHBondContact O-CB 3.48Å; D209-N213 VanDerWaalsContact O-CG 3.23Å; D209-N213 PolarHBondContact O-N 3.29Å; D209-N213 PolarHBondContact O-ND2 3.28Å; M210-N213 PolarHBondContact O-N 3.24Å; N213-C216 PolarHBondContact O-N 3.29Å; N213-Y217 WeakPolarHBondContact O-CB 3.47Å; N213-Y217 PolarHBondContact O-N 2.92Å |
| 214 | Y | 91.6 | Very high | 90.1 | Very high | 102 Ų | 102 | 86.4 Ų | 86.4 | 40% | 0.4 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 175.9 | -175.1 | -103.8 | 0 | 0 | 0 | 112.3 | M210 Y211 Q212 C216 Y217 K218 W220 | M210-Y214 WeakPolarHBondContact O-CB 3.3Å; M210-Y214 PolarHBondContact O-N 2.82Å; Y211-Y214 PolarHBondContact O-N 2.97Å; Q212-Y214 VanDerWaalsContact C-N 3.29Å; Q212-Y214 PolarHBondContact O-N 3.48Å; Y214-C216 VanDerWaalsContact C-N 3.34Å; Y214-C216 PolarHBondContact O-N 3.44Å; Y214-Y217 HydrophobicContact CD2-CD1 4.25Å; Y214-Y217 HydrophobicContact CE2-CD1 4.24Å; Y214-Y217 WeakPolarHBondContact O-CB 3.47Å; Y214-Y217 PolarHBondContact O-N 3.46Å; Y214-K218 HydrophobicContact CD1-CG 4.24Å; Y214-K218 HydrophobicContact CE1-CG 3.77Å; Y214-K218 HydrophobicContact CE2-CG 4.08Å; Y214-K218 PolarHBondContact O-N 3.29Å; Y214-K218 WeakPolarHBondContact OH-CE 3.29Å; Y214-W220 HydrophobicContact CD1-CZ3 4.36Å; Y214-W220 HydrophobicContact CE1-CH2 4.15Å; Y214-W220 HydrophobicContact CE1-CZ3 4.01Å |
| 215 | S | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 87.3 Ų | 87.3 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 174.5 | 76.2 | 0 | 0 | 0 | 0 | 111.6 | Y211 Q212 Y217 K218 H219 W220 F222 | Y211-S215 PolarHBondContact O-N 3.43Å; Q212-S215 PolarHBondContact O-N 3.06Å; Q212-S215 PolarHBondContact O-OG 3.4Å; S215-Y217 PolarHBondContact O-N 3.37Å; S215-K218 CarbonylContact O-C 3.46Å; S215-K218 PolarHBondContact O-N 2.89Å; S215-H219 PolarHBondContact O-N 2.92Å; S215-W220 PolarHBondContact O-N 2.98Å; S215-F222 WeakPolarHBondContact OG-CB 3.4Å |
| 216 | C | 87.2 | Confident | 88.4 | Confident | 79 Ų | 79 | 87 Ų | 87 | 53% | 0.534 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 174.9 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | Q212 N213 Y214 K218 H219 | Q212-C216 PolarHBondContact O-N 2.99Å; Q212-C216 VanDerWaalsContact O-N 3.16Å; Q212-C216 PolarHBondContact O-SG 2.91Å; N213-C216 PolarHBondContact O-N 3.29Å; Y214-C216 VanDerWaalsContact C-N 3.34Å; Y214-C216 PolarHBondContact O-N 3.44Å; C216-K218 VanDerWaalsContact C-N 3.31Å; C216-K218 PolarHBondContact O-N 3.39Å; C216-H219 PolarHBondContact O-N 2.93Å; C216-H219 VanDerWaalsContact O-N 3.09Å |
| 217 | Y | 88.1 | Confident | 88.2 | Confident | 121 Ų | 121 | 86.4 Ų | 86.4 | 48% | 0.475 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 175.4 | 172.2 | -106.5 | 0 | 0 | 0 | 112.3 | N213 Y214 S215 H219 | N213-Y217 WeakPolarHBondContact O-CB 3.47Å; N213-Y217 PolarHBondContact O-N 2.92Å; Y214-Y217 HydrophobicContact CD2-CD1 4.25Å; Y214-Y217 HydrophobicContact CE2-CD1 4.24Å; Y214-Y217 WeakPolarHBondContact O-CB 3.47Å; Y214-Y217 PolarHBondContact O-N 3.46Å; S215-Y217 PolarHBondContact O-N 3.37Å; Y217-H219 VanDerWaalsContact C-N 3.28Å; Y217-H219 PolarHBondContact O-N 3.03Å; Y217-H219 PolarHBondContact O-ND1 3.09Å; Y217-H219 VanDerWaalsContact O-ND1 3.14Å |
| 218 | K | 85.4 | Confident | 87.9 | Confident | 70 Ų | 70 | 88.6 Ų | 88.6 | 30% | 0.304 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 2 | 176.4 | -67.1 | -59.3 | -169.1 | 175.1 | 0 | 114.2 | Y214 S215 C216 W220 | Y214-K218 HydrophobicContact CD1-CG 4.24Å; Y214-K218 HydrophobicContact CE1-CG 3.77Å; Y214-K218 HydrophobicContact CE2-CG 4.08Å; Y214-K218 PolarHBondContact O-N 3.29Å; Y214-K218 WeakPolarHBondContact OH-CE 3.29Å; S215-K218 CarbonylContact O-C 3.46Å; S215-K218 PolarHBondContact O-N 2.89Å; C216-K218 VanDerWaalsContact C-N 3.31Å; C216-K218 PolarHBondContact O-N 3.39Å; K218-W220 HydrophobicContact CB-CD2 3.78Å; K218-W220 HydrophobicContact CB-CE3 4.36Å; K218-W220 HydrophobicContact CB-CG 3.98Å; K218-W220 HydrophobicContact CB-CZ2 4.2Å; K218-W220 HydrophobicContact CG-CZ2 4.34Å; K218-W220 VanDerWaalsContact O-CD1 3.3Å; K218-W220 PolarHBondContact O-N 3.48Å |
| 219 | H | 88.4 | Confident | 87.7 | Confident | 157 Ų | 157 | 91 Ų | 91 | 73% | 0.727 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 32 | -177 | -55.7 | 68.3 | 0 | 0 | 0 | 113.2 | S215 C216 Y217 | S215-H219 PolarHBondContact O-N 2.92Å; C216-H219 PolarHBondContact O-N 2.93Å; C216-H219 VanDerWaalsContact O-N 3.09Å; Y217-H219 VanDerWaalsContact C-N 3.28Å; Y217-H219 PolarHBondContact O-N 3.03Å; Y217-H219 PolarHBondContact O-ND1 3.09Å; Y217-H219 VanDerWaalsContact O-ND1 3.14Å |
| 220 | W | 89.4 | Confident | 87.4 | Confident | 110 Ų | 110 | 92.8 Ų | 92.8 | 42% | 0.417 | 44% | 0.437 | S | S | . | . | trans | -84.3 | 147.7 | 174.9 | -63.6 | -14 | 0 | 0 | 0 | 110.7 | F10 Y214 S215 K218 | F10-W220 HydrophobicContact CD1-CB 4.08Å; F10-W220 HydrophobicContact CD1-CE3 4.06Å; F10-W220 HydrophobicContact CE1-CE3 4.18Å; Y214-W220 HydrophobicContact CD1-CZ3 4.36Å; Y214-W220 HydrophobicContact CE1-CH2 4.15Å; Y214-W220 HydrophobicContact CE1-CZ3 4.01Å; S215-W220 PolarHBondContact O-N 2.98Å; K218-W220 HydrophobicContact CB-CD2 3.78Å; K218-W220 HydrophobicContact CB-CE3 4.36Å; K218-W220 HydrophobicContact CB-CG 3.98Å; K218-W220 HydrophobicContact CB-CZ2 4.2Å; K218-W220 HydrophobicContact CG-CZ2 4.34Å; K218-W220 VanDerWaalsContact O-CD1 3.3Å; K218-W220 PolarHBondContact O-N 3.48Å | ||
| 221 | Q | 87.3 | Confident | 87 | Confident | 116 Ų | 116 | 92.8 Ų | 92.8 | 54% | 0.542 | 44% | 0.436 | S | S | . | . | trans | -71.7 | 131.4 | 170 | -67.1 | -171.1 | -22.1 | 0 | 0 | 109 | F10 R11 | F10-Q221 WeakPolarHBondContact CD1-O 3.34Å; R11-Q221 HydrophobicContact CB-CB 4.36Å | ||
| 222 | F | 86.5 | Confident | 86.6 | Confident | 51 Ų | 51 | 92.4 Ų | 92.4 | 22% | 0.224 | 44% | 0.439 | C | S | . | . | trans | -123 | 113.5 | -179.9 | -175.1 | -91.8 | 0 | 0 | 0 | 108.8 | W8 F10 F208 Q212 S215 | W8-F222 HydrophobicContact CD2-CZ 4.49Å; W8-F222 HydrophobicContact CE3-CD1 4.49Å; W8-F222 HydrophobicContact CE3-CD2 4.45Å; W8-F222 AromaticContact CE3-CE1 3.87Å; W8-F222 HydrophobicContact CE3-CE1 3.87Å; W8-F222 AromaticContact CE3-CE2 3.8Å; W8-F222 HydrophobicContact CE3-CE2 3.8Å; W8-F222 AromaticContact CE3-CZ 3.49Å; W8-F222 HydrophobicContact CE3-CZ 3.49Å; W8-F222 VanDerWaalsContact CE3-CZ 3.49Å; W8-F222 HydrophobicContact CH2-CE1 4.23Å; W8-F222 HydrophobicContact CH2-CZ 4.02Å; W8-F222 HydrophobicContact CZ3-CD1 4.19Å; W8-F222 AromaticContact CZ3-CE1 3.3Å; W8-F222 HydrophobicContact CZ3-CE1 3.3Å; W8-F222 HydrophobicContact CZ3-CE2 4.01Å; W8-F222 AromaticContact CZ3-CZ 3.2Å; W8-F222 HydrophobicContact CZ3-CZ 3.2Å; F10-F222 AromaticContact CE1-CD2 3.83Å; F10-F222 HydrophobicContact CE1-CD2 3.83Å; F10-F222 AromaticContact CZ-CD2 3.84Å; F10-F222 HydrophobicContact CZ-CD2 3.84Å; F10-F222 HydrophobicContact CZ-CE2 4.16Å; F208-F222 HydrophobicContact CE2-CE1 4.17Å; F208-F222 AromaticContact CE2-CZ 3.58Å; F208-F222 HydrophobicContact CE2-CZ 3.58Å; F208-F222 AromaticContact CZ-CE1 3.89Å; F208-F222 HydrophobicContact CZ-CE1 3.89Å; F208-F222 AromaticContact CZ-CZ 3.74Å; F208-F222 HydrophobicContact CZ-CZ 3.74Å; Q212-F222 HydrophobicContact CB-CE1 4.13Å; Q212-F222 HydrophobicContact CB-CE2 4.23Å; Q212-F222 HydrophobicContact CB-CZ 3.87Å; Q212-F222 HydrophobicContact CG-CD1 4.02Å; Q212-F222 HydrophobicContact CG-CE1 3.77Å; Q212-F222 HydrophobicContact CG-CG 4.47Å; Q212-F222 HydrophobicContact CG-CZ 4.04Å; S215-F222 WeakPolarHBondContact OG-CB 3.4Å | ||
| 223 | E | 89.2 | Confident | 86.3 | Confident | 108 Ų | 108 | 94 Ų | 94 | 51% | 0.505 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.7 | -179.1 | -174.7 | 176.3 | -174.1 | 0 | 0 | 110.2 | L225 | E223-L225 HydrophobicContact CG-CD2 4.12Å |
| 224 | L | 86.3 | Confident | 85.9 | Confident | 89 Ų | 89 | 93.1 Ų | 93.1 | 47% | 0.466 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 110.2 | 177.5 | -169.8 | 150.9 | 0 | 0 | 0 | 109.2 | W8 F208 N226 | W8-L224 HydrophobicContact CH2-CB 3.81Å; W8-L224 HydrophobicContact CH2-CD1 3.64Å; W8-L224 HydrophobicContact CH2-CG 3.38Å; W8-L224 HydrophobicContact CZ2-CG 4.33Å; W8-L224 HydrophobicContact CZ3-CB 3.58Å; W8-L224 HydrophobicContact CZ3-CD1 4.15Å; W8-L224 HydrophobicContact CZ3-CG 3.75Å; F208-L224 HydrophobicContact CZ-CD1 4.35Å; L224-N226 HydrophobicContact CD2-CB 4.28Å; L224-N226 VanDerWaalsContact CD2-ND2 3.34Å; L224-N226 WeakPolarHBondContact CD2-ND2 3.43Å; L224-N226 WeakPolarHBondContact CD2-OD1 3.45Å |
| 225 | L | 81.9 | Confident | 85.4 | Confident | 46 Ų | 46 | 92.3 Ų | 92.3 | 24% | 0.241 | 44% | 0.441 | C | S | . | . | trans | -91.6 | 133.5 | 170.5 | -42.9 | 171.1 | 0 | 0 | 0 | 107.9 | C6 V7 L9 E223 | C6-L225 WeakPolarHBondContact CA-O 3.28Å; C6-L225 VanDerWaalsContact CB-O 3.26Å; C6-L225 WeakPolarHBondContact CB-O 3.35Å; V7-L225 VanDerWaalsContact C-CD1 3.44Å; V7-L225 HydrophobicContact CB-CB 4.04Å; V7-L225 HydrophobicContact CB-CD1 3.78Å; V7-L225 HydrophobicContact CB-CG 4.45Å; V7-L225 HydrophobicContact CG1-CD1 3.69Å; V7-L225 PolarHBondContact N-O 3.24Å; V7-L225 WeakPolarHBondContact O-CA 3.18Å; V7-L225 WeakPolarHBondContact O-CB 3.47Å; V7-L225 WeakPolarHBondContact O-CD1 3.28Å; V7-L225 WeakPolarHBondContact O-CG 3.49Å; V7-L225 PolarHBondContact O-N 3.12Å; V7-L225 VanDerWaalsContact O-N 3.1Å; L9-L225 HydrophobicContact CD1-CD1 4.32Å; E223-L225 HydrophobicContact CG-CD2 4.12Å | ||
| 226 | N | 63.3 | Low | 84.8 | Confident | 161 Ų | 161 | 100.7 Ų | 100.7 | 86% | 0.861 | 48% | 0.481 | S | S | * | . | trans | -121.7 | 0 | -178.7 | -93.5 | -16.6 | 0 | 0 | 0 | 111 | C6 L224 | C6-N226 PolarHBondContact SG-OD1 3.15Å; L224-N226 HydrophobicContact CD2-CB 4.28Å; L224-N226 VanDerWaalsContact CD2-ND2 3.34Å; L224-N226 WeakPolarHBondContact CD2-ND2 3.43Å; L224-N226 WeakPolarHBondContact CD2-OD1 3.45Å |
Retrieved 226 of 226 residues in 68.8 ms
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