| 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 | 24.9 | Very low | 30.1 | Very low | 204 Ų | 204 | 141.4 Ų | 141.4 | 100% | 1.005 | 68% | 0.678 | S | S | * | * | 0 | 113.1 | 0 | -139.6 | -174.5 | -81 | 0 | 0 | 106.4 | F3 | M1-F3 PolarHBondContact O-N 3.11Š| |||
| 2 | L | 23.5 | Very low | 30.2 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 61% | 0.607 | 69% | 0.693 | S | S | * | * | trans | -70 | 113.6 | 177.7 | -91 | 94.3 | 0 | 0 | 0 | 108.1 | K24 | L2-K24 HydrophobicContact CD2-CD 4.32Å; L2-K24 HydrophobicContact CD2-CG 3.54Å | ||
| 3 | F | 28.1 | Very low | 30.1 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 47% | 0.465 | 70% | 0.701 | S | S | . | * | trans | -78.2 | 119.9 | 166.3 | -77.3 | -88.9 | 0 | 0 | 0 | 108 | M1 | M1-F3 PolarHBondContact O-N 3.11Š| ||
| 4 | L | 24.7 | Very low | 30.1 | Very low | 93 Ų | 93 | 146.3 Ų | 146.3 | 49% | 0.487 | 71% | 0.712 | S | S | . | * | trans | -103.7 | 121.3 | 173.2 | -67.4 | -179.9 | 0 | 0 | 0 | 107.3 | Y22 | L4-Y22 HydrophobicContact CB-CD1 3.95Å; L4-Y22 HydrophobicContact CD1-CD1 3.74Å; L4-Y22 HydrophobicContact CD1-CE1 4.17Å; L4-Y22 HydrophobicContact CD1-CG 4.18Å; L4-Y22 HydrophobicContact CD2-CD1 4.36Å; L4-Y22 HydrophobicContact CG-CD1 4.22Å | ||
| 5 | Y | 35.6 | Very low | 30.1 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 52% | 0.518 | 72% | 0.722 | S | S | . | * | trans | -108.1 | 149.8 | 174.6 | -175 | -111.2 | 0 | 0 | 0 | 111.4 | Y171 | Y5-Y171 HydrophobicContact CD1-CE2 4.44Å; Y5-Y171 HydrophobicContact CD2-CD2 4.08Å; Y5-Y171 AromaticContact CD2-CE2 3.33Å; Y5-Y171 HydrophobicContact CD2-CE2 3.33Å; Y5-Y171 HydrophobicContact CE1-CD2 4.47Å; Y5-Y171 AromaticContact CE2-CD2 3.8Å; Y5-Y171 HydrophobicContact CE2-CD2 3.8Å; Y5-Y171 AromaticContact CE2-CE2 3.48Å; Y5-Y171 HydrophobicContact CE2-CE2 3.48Å; Y5-Y171 VanDerWaalsContact CE2-CE2 3.48Å; Y5-Y171 AromaticContact CG-CE2 3.84Å; Y5-Y171 HydrophobicContact CG-CE2 3.84Å | ||
| 6 | K | 27.8 | Very low | 30 | Very low | 144 Ų | 144 | 149 Ų | 149 | 63% | 0.626 | 73% | 0.728 | S | S | * | * | trans | -101.9 | 108.2 | -177.8 | -169.2 | 178.8 | -178.4 | -177.6 | 0 | 109.3 | ||||
| 7 | K | 35.3 | Very low | 29.9 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 57% | 0.565 | 73% | 0.726 | S | S | * | * | trans | -80.4 | 116.2 | 173.8 | -170.3 | 169.7 | -175 | 163.5 | 0 | 109.8 | K9 | K7-K9 PolarHBondContact O-N 2.86Š| ||
| 8 | N | 30.3 | Very low | 29.8 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | -79.5 | 111.3 | 166.6 | -84.4 | -15.2 | 0 | 0 | 0 | 108.6 | ||||
| 9 | K | 36.7 | Very low | 29.7 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | trans | -83.2 | 109.5 | 164.8 | -88.1 | -173.8 | 173.6 | 179.8 | 0 | 108.3 | K7 N11 | K7-K9 PolarHBondContact O-N 2.86Å; K9-N11 PolarHBondContact O-N 3.19Å | ||
| 10 | N | 30.6 | Very low | 29.7 | Very low | 147 Ų | 147 | 146 Ų | 146 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | trans | -77.4 | 105.5 | 155.9 | -78.6 | -15.9 | 0 | 0 | 0 | 107.5 | ||||
| 11 | N | 33.8 | Very low | 29.8 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 87% | 0.866 | 73% | 0.731 | S | S | * | * | trans | -156 | 127.9 | 143.9 | -97.6 | -16.2 | 0 | 0 | 0 | 109 | K9 | K9-N11 PolarHBondContact O-N 3.19Š| ||
| 12 | Q | 31.2 | Very low | 30.1 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | trans | -63.4 | 148.4 | 174.2 | -75.2 | 158.2 | -29.9 | 0 | 0 | 110.4 | ||||
| 13 | N | 28.4 | Very low | 30.9 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 80% | 0.802 | 71% | 0.708 | S | S | * | * | trans | 97.7 | 122.3 | 167.8 | -57.4 | -20.4 | 0 | 0 | 0 | 117.5 | ||||
| 14 | N | 31.1 | Very low | 31.6 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 86% | 0.856 | 72% | 0.717 | S | S | * | * | trans | 94.2 | 109.2 | 165.3 | -62 | -9.6 | 0 | 0 | 0 | 118 | D16 | N14-D16 PolarHBondContact O-N 3Š| ||
| 15 | Q | 28.9 | Very low | 32.9 | Very low | 185 Ų | 185 | 145 Ų | 145 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | trans | -49.2 | 113.9 | 158.6 | -68.4 | 166.7 | -30.7 | 0 | 0 | 108.7 | ||||
| 16 | D | 28.5 | Very low | 34.2 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 81% | 0.807 | 72% | 0.721 | S | S | * | * | trans | -177.9 | 127.3 | 136.6 | -89 | -27.6 | 0 | 0 | 0 | 111.1 | N14 | N14-D16 PolarHBondContact O-N 3Š| ||
| 17 | S | 28.8 | Very low | 36.4 | Very low | 99 Ų | 99 | 142.6 Ų | 142.6 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | trans | 52.1 | 93.1 | 164.3 | 56.1 | 0 | 0 | 0 | 0 | 118.4 | T19 | S17-T19 VanDerWaalsContact C-N 3.29Å; S17-T19 PolarHBondContact O-N 3.27Å | ||
| 18 | K | 27.4 | Very low | 38.6 | Very low | 213 Ų | 213 | 138.3 Ų | 138.3 | 93% | 0.926 | 71% | 0.707 | S | S | * | * | trans | -63.7 | 82.4 | 163.4 | -71.4 | 179.7 | 179.5 | 175.3 | 0 | 111 | ||||
| 19 | T | 28.4 | Very low | 41.1 | Very low | 117 Ų | 117 | 135 Ų | 135 | 72% | 0.718 | 69% | 0.689 | S | S | * | * | trans | -89 | 105.8 | 164.7 | 33.4 | 0 | 0 | 0 | 0 | 109 | S17 Q21 | S17-T19 VanDerWaalsContact C-N 3.29Å; S17-T19 PolarHBondContact O-N 3.27Å; T19-Q21 PolarHBondContact O-N 3.38Å | ||
| 20 | N | 30.6 | Very low | 43.2 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 57% | 0.567 | 68% | 0.675 | S | S | * | * | trans | -62.7 | 97.1 | 171.6 | -74.9 | -37 | 0 | 0 | 0 | 109.1 | Y22 | N20-Y22 HydrophobicContact CB-CE2 4.08Å; N20-Y22 WeakPolarHBondContact O-CD2 3.49Å; N20-Y22 PolarHBondContact O-N 3.11Å; N20-Y22 VanDerWaalsContact O-N 3.16Å | ||
| 21 | Q | 30.4 | Very low | 45.6 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 81% | 0.808 | 68% | 0.68 | S | S | * | * | trans | -78.7 | 96.7 | 171.8 | -104.1 | -178.7 | -12.7 | 0 | 0 | 109.6 | T19 V23 | T19-Q21 PolarHBondContact O-N 3.38Å; Q21-V23 PolarHBondContact O-N 3.22Å | ||
| 22 | Y | 32.3 | Very low | 48 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 58% | 0.58 | 67% | 0.67 | S | S | * | * | trans | -67.5 | 110 | 165.7 | -65.6 | -74.5 | 0 | 0 | 0 | 109.2 | L4 N20 K24 | L4-Y22 HydrophobicContact CB-CD1 3.95Å; L4-Y22 HydrophobicContact CD1-CD1 3.74Å; L4-Y22 HydrophobicContact CD1-CE1 4.17Å; L4-Y22 HydrophobicContact CD1-CG 4.18Å; L4-Y22 HydrophobicContact CD2-CD1 4.36Å; L4-Y22 HydrophobicContact CG-CD1 4.22Å; N20-Y22 HydrophobicContact CB-CE2 4.08Å; N20-Y22 WeakPolarHBondContact O-CD2 3.49Å; N20-Y22 PolarHBondContact O-N 3.11Å; N20-Y22 VanDerWaalsContact O-N 3.16Å; Y22-K24 PolarHBondContact O-N 3.2Å | ||
| 23 | V | 40.2 | Very low | 50.8 | Low | 89 Ų | 89 | 126 Ų | 126 | 54% | 0.539 | 63% | 0.633 | S | S | . | * | trans | -76 | 112.4 | 172.6 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | Q21 V25 | Q21-V23 PolarHBondContact O-N 3.22Å; V23-V25 PolarHBondContact O-N 3.05Å | ||
| 24 | K | 42.3 | Very low | 53.7 | Low | 150 Ų | 150 | 120.5 Ų | 120.5 | 65% | 0.652 | 60% | 0.603 | S | S | * | * | trans | -68.7 | 113.1 | 175.6 | -144.8 | 176.2 | -172.6 | 177.7 | 0 | 107.3 | L2 Y22 I26 | L2-K24 HydrophobicContact CD2-CD 4.32Å; L2-K24 HydrophobicContact CD2-CG 3.54Å; Y22-K24 PolarHBondContact O-N 3.2Å; K24-I26 PolarHBondContact O-N 3.06Å | ||
| 25 | V | 53.3 | Low | 56.6 | Low | 85 Ų | 85 | 115 Ų | 115 | 52% | 0.515 | 57% | 0.574 | S | S | . | * | trans | -62.5 | 107.4 | 172 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | V23 P27 | V23-V25 PolarHBondContact O-N 3.05Å; V25-P27 WeakPolarHBondContact O-CD 3.21Å | ||
| 26 | I | 61.1 | Low | 59.6 | Low | 114 Ų | 114 | 116.4 Ų | 116.4 | 59% | 0.585 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 123 | 177.6 | -57.5 | 176.6 | 0 | 0 | 0 | 106.6 | K24 F28 | K24-I26 PolarHBondContact O-N 3.06Å; I26-F28 PolarHBondContact O-N 3.39Å |
| 27 | P | 74.2 | Confident | 62.6 | Low | 111 Ų | 111 | 114.3 Ų | 114.3 | 72% | 0.721 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 137.1 | 175 | -23.6 | 33.1 | 0 | 0 | 0 | 110.7 | V25 D29 | V25-P27 WeakPolarHBondContact O-CD 3.21Å; P27-D29 PolarHBondContact O-N 3.27Å |
| 28 | F | 82.6 | Confident | 65.8 | Low | 41 Ų | 41 | 110.2 Ų | 110.2 | 18% | 0.18 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -56 | 123.7 | 177.1 | -177.8 | -96.9 | 0 | 0 | 0 | 111.1 | I26 K30 F33 Y64 Y102 W103 L114 | I26-F28 PolarHBondContact O-N 3.39Å; F28-K30 HydrophobicContact CD1-CG 3.88Å; F28-K30 HydrophobicContact CE1-CB 4.18Å; F28-K30 HydrophobicContact CE1-CG 3.54Å; F28-F33 HydrophobicContact CE1-CB 4.5Å; F28-F33 HydrophobicContact CE2-CB 4.12Å; F28-F33 AromaticContact CE2-CD2 3.81Å; F28-F33 HydrophobicContact CE2-CD2 3.81Å; F28-F33 HydrophobicContact CE2-CG 4.1Å; F28-F33 HydrophobicContact CZ-CB 3.63Å; F28-F33 HydrophobicContact CZ-CD1 4.45Å; F28-F33 AromaticContact CZ-CD2 3.94Å; F28-F33 HydrophobicContact CZ-CD2 3.94Å; F28-F33 AromaticContact CZ-CG 3.74Å; F28-F33 HydrophobicContact CZ-CG 3.74Å; F28-Y64 AromaticContact CD2-CE1 3.91Å; F28-Y64 HydrophobicContact CD2-CE1 3.91Å; F28-Y64 AromaticContact CD2-CZ 3.74Å; F28-Y64 WeakPolarHBondContact CD2-OH 3.46Å; F28-Y64 HydrophobicContact CE2-CE1 4.28Å; F28-Y102 HydrophobicContact CB-CD1 3.46Å; F28-Y102 VanDerWaalsContact CB-CD1 3.46Å; F28-Y102 HydrophobicContact CB-CE1 3.7Å; F28-Y102 HydrophobicContact CB-CG 4.26Å; F28-Y102 AromaticContact CD1-CD1 3.78Å; F28-Y102 HydrophobicContact CD1-CD1 3.78Å; F28-Y102 HydrophobicContact CD1-CG 4.13Å; F28-Y102 HydrophobicContact CD2-CD1 4.18Å; F28-Y102 HydrophobicContact CD2-CG 4.16Å; F28-Y102 VanDerWaalsContact CE1-O 3.26Å; F28-Y102 WeakPolarHBondContact CE1-O 3.4Å; F28-Y102 AromaticContact CG-CD1 3.53Å; F28-Y102 HydrophobicContact CG-CD1 3.53Å; F28-Y102 HydrophobicContact CG-CE1 4.26Å; F28-Y102 AromaticContact CG-CG 3.92Å; F28-Y102 HydrophobicContact CG-CG 3.92Å; F28-W103 HydrophobicContact CE1-CB 4.09Å; F28-W103 HydrophobicContact CZ-CB 3.9Å; F28-L114 HydrophobicContact CE2-CD2 3.58Å; F28-L114 HydrophobicContact CZ-CD2 3.7Å |
| 29 | D | 83.3 | Confident | 69 | Low | 67 Ų | 67 | 104 Ų | 104 | 36% | 0.358 | 50% | 0.5 | S | S | . | . | trans | -103.9 | 97.1 | 177.5 | -172.9 | -12.6 | 0 | 0 | 0 | 110 | P27 K31 K32 F33 | P27-D29 PolarHBondContact O-N 3.27Å; D29-K31 PolarHBondContact O-N 3.24Å; D29-K31 WeakPolarHBondContact OD1-CB 3.2Å; D29-K31 PolarHBondContact OD1-N 3Å; D29-K32 HydrophobicContact CB-CB 4.19Å; D29-K32 HydrophobicContact CB-CD 4.21Å; D29-K32 HydrophobicContact CB-CG 4.3Å; D29-K32 PolarHBondContact O-N 2.91Å; D29-K32 WeakPolarHBondContact OD2-CD 3.36Å; D29-K32 WeakPolarHBondContact OD2-CE 3.38Å; D29-K32 WeakPolarHBondContact OD2-CG 3.23Å; D29-K32 IonicContact OD2-NZ 3.44Å; D29-F33 PolarHBondContact O-N 2.83Å | ||
| 30 | K | 80.4 | Confident | 72.1 | Confident | 116 Ų | 116 | 103 Ų | 103 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -32 | 177.7 | -81 | 177.7 | 173.8 | -178 | 0 | 113.4 | F28 Y102 | F28-K30 HydrophobicContact CD1-CG 3.88Å; F28-K30 HydrophobicContact CE1-CB 4.18Å; F28-K30 HydrophobicContact CE1-CG 3.54Å; K30-Y102 WeakPolarHBondContact CE-O 3.43Å; K30-Y102 WeakPolarHBondContact CG-O 3.31Å |
| 31 | K | 80.1 | Confident | 75.2 | Confident | 201 Ų | 201 | 101.4 Ų | 101.4 | 87% | 0.874 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -20.3 | -177.1 | -67.7 | -178.2 | -180 | -178.2 | 0 | 113 | D29 | D29-K31 PolarHBondContact O-N 3.24Å; D29-K31 WeakPolarHBondContact OD1-CB 3.2Å; D29-K31 PolarHBondContact OD1-N 3Å |
| 32 | K | 84 | Confident | 78.2 | Confident | 152 Ų | 152 | 95.8 Ų | 95.8 | 66% | 0.661 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -17.7 | -179.4 | -68.9 | -178.2 | -174.9 | 168.4 | 0 | 113.4 | D29 D34 | D29-K32 HydrophobicContact CB-CB 4.19Å; D29-K32 HydrophobicContact CB-CD 4.21Å; D29-K32 HydrophobicContact CB-CG 4.3Å; D29-K32 PolarHBondContact O-N 2.91Å; D29-K32 WeakPolarHBondContact OD2-CD 3.36Å; D29-K32 WeakPolarHBondContact OD2-CE 3.38Å; D29-K32 WeakPolarHBondContact OD2-CG 3.23Å; D29-K32 IonicContact OD2-NZ 3.44Å; K32-D34 PolarHBondContact O-N 3.12Å |
| 33 | F | 89.8 | Confident | 81.2 | Confident | 18 Ų | 18 | 88.7 Ų | 88.7 | 8% | 0.079 | 42% | 0.424 | C | S | . | . | trans | -64.2 | 128.2 | 177.6 | -176.6 | -100.5 | 0 | 0 | 0 | 110.8 | F28 D29 L35 V38 W103 L114 | F28-F33 HydrophobicContact CE1-CB 4.5Å; F28-F33 HydrophobicContact CE2-CB 4.12Å; F28-F33 AromaticContact CE2-CD2 3.81Å; F28-F33 HydrophobicContact CE2-CD2 3.81Å; F28-F33 HydrophobicContact CE2-CG 4.1Å; F28-F33 HydrophobicContact CZ-CB 3.63Å; F28-F33 HydrophobicContact CZ-CD1 4.45Å; F28-F33 AromaticContact CZ-CD2 3.94Å; F28-F33 HydrophobicContact CZ-CD2 3.94Å; F28-F33 AromaticContact CZ-CG 3.74Å; F28-F33 HydrophobicContact CZ-CG 3.74Å; D29-F33 PolarHBondContact O-N 2.83Å; F33-L35 HydrophobicContact CE1-CB 4.44Å; F33-L35 HydrophobicContact CZ-CD1 4.44Å; F33-V38 HydrophobicContact CE2-CG2 3.52Å; F33-V38 HydrophobicContact CZ-CG2 3.64Å; F33-W103 HydrophobicContact CD1-CB 4.24Å; F33-W103 AromaticContact CD1-CD1 3.94Å; F33-W103 AromaticContact CD1-CD2 3.62Å; F33-W103 HydrophobicContact CD1-CD2 3.62Å; F33-W103 AromaticContact CD1-CE2 3.88Å; F33-W103 HydrophobicContact CD1-CE3 4.07Å; F33-W103 AromaticContact CD1-CG 3.69Å; F33-W103 HydrophobicContact CD1-CG 3.69Å; F33-W103 AromaticContact CE1-CD2 3.63Å; F33-W103 HydrophobicContact CE1-CD2 3.63Å; F33-W103 AromaticContact CE1-CE3 3.56Å; F33-W103 HydrophobicContact CE1-CE3 3.56Å; F33-W103 HydrophobicContact CE1-CG 4.08Å; F33-W103 HydrophobicContact CE1-CH2 4.41Å; F33-W103 HydrophobicContact CE1-CZ2 4.48Å; F33-W103 AromaticContact CE1-CZ3 3.96Å; F33-W103 HydrophobicContact CE1-CZ3 3.96Å; F33-L114 HydrophobicContact CD1-CD2 4.44Å; F33-L114 HydrophobicContact CD2-CD2 3.86Å; F33-L114 HydrophobicContact CE1-CD2 4.07Å; F33-L114 HydrophobicContact CE2-CD1 4.13Å; F33-L114 HydrophobicContact CE2-CD2 3.43Å; F33-L114 VanDerWaalsContact CE2-CD2 3.43Å; F33-L114 HydrophobicContact CE2-CG 4.41Å; F33-L114 HydrophobicContact CG-CD2 4.34Å; F33-L114 HydrophobicContact CZ-CD1 3.81Å; F33-L114 HydrophobicContact CZ-CD2 3.55Å; F33-L114 HydrophobicContact CZ-CG 4.21Å | ||
| 34 | D | 90.5 | Very high | 83.7 | Confident | 34 Ų | 34 | 85 Ų | 85 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | trans | -136.2 | 111.2 | 178.4 | -178.4 | -7.7 | 0 | 0 | 0 | 108.4 | K32 R36 K37 | K32-D34 PolarHBondContact O-N 3.12Å; D34-R36 PolarHBondContact O-N 3.37Å; D34-R36 WeakPolarHBondContact OD1-CB 3.06Å; D34-R36 IonicContact OD1-CZ 2.74Å; D34-R36 PolarHBondContact OD1-N 3.35Å; D34-R36 IonicContact OD1-NE 3.86Å; D34-R36 PolarHBondContact OD1-NE 3.07Å; D34-R36 IonicContact OD1-NH2 3.33Å; D34-R36 PolarHBondContact OD1-NH2 3.43Å; D34-R36 IonicContact OD2-CZ 2.75Å; D34-R36 IonicContact OD2-NE 2.83Å; D34-R36 PolarHBondContact OD2-NE 3.26Å; D34-R36 IonicContact OD2-NH2 2.96Å; D34-R36 PolarHBondContact OD2-NH2 3.05Å; D34-K37 HydrophobicContact CB-CD 4.2Å; D34-K37 HydrophobicContact CB-CG 4.14Å; D34-K37 PolarHBondContact O-N 3.25Å | ||
| 35 | L | 91 | Very high | 86.1 | Confident | 46 Ų | 46 | 78.6 Ų | 78.6 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -55.2 | -26.8 | -177.9 | -174.1 | 63.6 | 0 | 0 | 0 | 112.7 | F33 K37 V38 L66 Y112 | F33-L35 HydrophobicContact CE1-CB 4.44Å; F33-L35 HydrophobicContact CZ-CD1 4.44Å; L35-K37 PolarHBondContact O-N 3.43Å; L35-V38 HydrophobicContact CD1-CB 4.49Å; L35-V38 WeakPolarHBondContact O-CB 3.47Å; L35-V38 PolarHBondContact O-N 3.19Å; L35-L66 HydrophobicContact CD1-CD1 4.34Å; L35-L66 HydrophobicContact CD1-CD2 3.82Å; L35-Y112 HydrophobicContact CD2-CD1 4Å; L35-Y112 HydrophobicContact CD2-CD2 3.79Å; L35-Y112 HydrophobicContact CD2-CE1 3.94Å; L35-Y112 HydrophobicContact CD2-CE2 3.73Å; L35-Y112 HydrophobicContact CD2-CG 3.92Å |
| 36 | R | 91.5 | Very high | 87.9 | Confident | 213 Ų | 213 | 78.1 Ų | 78.1 | 80% | 0.804 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -71.9 | -16.5 | 178.1 | -58.7 | 168.3 | -64.3 | 179.8 | 3.9 | 113.3 | D34 | D34-R36 PolarHBondContact O-N 3.37Å; D34-R36 WeakPolarHBondContact OD1-CB 3.06Å; D34-R36 IonicContact OD1-CZ 2.74Å; D34-R36 PolarHBondContact OD1-N 3.35Å; D34-R36 IonicContact OD1-NE 3.86Å; D34-R36 PolarHBondContact OD1-NE 3.07Å; D34-R36 IonicContact OD1-NH2 3.33Å; D34-R36 PolarHBondContact OD1-NH2 3.43Å; D34-R36 IonicContact OD2-CZ 2.75Å; D34-R36 IonicContact OD2-NE 2.83Å; D34-R36 PolarHBondContact OD2-NE 3.26Å; D34-R36 IonicContact OD2-NH2 2.96Å; D34-R36 PolarHBondContact OD2-NH2 3.05Å |
| 37 | K | 93.3 | Very high | 89 | Confident | 107 Ų | 107 | 75.2 Ų | 75.2 | 47% | 0.465 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -99.5 | 7 | 177.7 | -58.4 | -173.6 | -174 | 176 | 0 | 112.4 | D34 L35 K58 C59 | D34-K37 HydrophobicContact CB-CD 4.2Å; D34-K37 HydrophobicContact CB-CG 4.14Å; D34-K37 PolarHBondContact O-N 3.25Å; L35-K37 PolarHBondContact O-N 3.43Å; K37-K58 WeakPolarHBondContact O-CB 3.43Å; K37-K58 WeakPolarHBondContact O-CG 3.22Å; K37-K58 PolarHBondContact O-N 2.93Å; K37-C59 WeakPolarHBondContact CD-SG 3.24Å |
| 38 | V | 94.4 | Very high | 89.4 | Confident | 13 Ų | 13 | 75 Ų | 75 | 8% | 0.079 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 132 | 179.1 | 176 | 0 | 0 | 0 | 0 | 109 | F33 L35 V55 H56 | F33-V38 HydrophobicContact CE2-CG2 3.52Å; F33-V38 HydrophobicContact CZ-CG2 3.64Å; L35-V38 HydrophobicContact CD1-CB 4.49Å; L35-V38 WeakPolarHBondContact O-CB 3.47Å; L35-V38 PolarHBondContact O-N 3.19Å; V38-V55 HydrophobicContact CG1-CB 3.33Å; V38-V55 HydrophobicContact CG1-CG1 3.97Å; V38-V55 HydrophobicContact CG1-CG2 3.56Å; V38-H56 WeakPolarHBondContact CA-O 3.41Å |
| 39 | E | 95.5 | Very high | 89.6 | Confident | 83 Ų | 83 | 75.3 Ų | 75.3 | 39% | 0.388 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 126.1 | 172.2 | -175.3 | 171.1 | -166.1 | 0 | 0 | 109.8 | L41 V55 H56 | E39-L41 HydrophobicContact CG-CD2 3.92Å; E39-V55 CarbonylContact O-C 3.51Å; E39-V55 WeakPolarHBondContact O-CA 3.45Å; E39-V55 WeakPolarHBondContact O-CB 3.26Å; E39-H56 HydrophobicContact CB-CB 4.35Å; E39-H56 PolarHBondContact N-O 3.45Å; E39-H56 PolarHBondContact O-N 2.98Å; E39-H56 IonicContact OE2-ND1 2.65Å |
| 40 | L | 94.2 | Very high | 90 | Very high | 96 Ų | 96 | 72.7 Ų | 72.7 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 128 | 172 | -67.1 | 86.3 | 0 | 0 | 0 | 108.5 | I53 V55 | L40-I53 HydrophobicContact CB-CG2 4.26Å; L40-I53 HydrophobicContact CD2-CD1 3.76Å; L40-I53 HydrophobicContact CD2-CG2 4.42Å; L40-V55 HydrophobicContact CG-CG1 4.41Å |
| 41 | L | 94 | Very high | 90.6 | Very high | 72 Ų | 72 | 69.3 Ų | 69.3 | 38% | 0.377 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -71.4 | -177.3 | -59.2 | 175.4 | 0 | 0 | 0 | 111.5 | E39 V54 H56 Y63 | E39-L41 HydrophobicContact CG-CD2 3.92Å; L41-V54 WeakPolarHBondContact CB-O 3.36Å; L41-V54 HydrophobicContact CD1-CG1 4.25Å; L41-V54 PolarHBondContact N-O 3.31Å; L41-H56 HydrophobicContact CD1-CB 3.99Å; L41-H56 HydrophobicContact CG-CB 4.46Å; L41-Y63 HydrophobicContact CD1-CD1 3.77Å; L41-Y63 HydrophobicContact CD1-CE1 3.51Å |
| 42 | R | 94.1 | Very high | 91.4 | Very high | 55 Ų | 55 | 61.6 Ų | 61.6 | 21% | 0.208 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 138 | -170.9 | -166.8 | -176.2 | -171.8 | -169.1 | -2.6 | 111.6 | I44 I53 V54 T322 Q327 E330 | R42-I44 PolarHBondContact O-N 3.33Å; R42-I53 CarbonylContact O-C 3.51Å; R42-I53 WeakPolarHBondContact O-CA 3.43Å; R42-I53 WeakPolarHBondContact O-CG2 3.28Å; R42-V54 PolarHBondContact O-N 3.28Å; R42-T322 HydrophobicContact CB-CG2 4.35Å; R42-T322 WeakPolarHBondContact CD-OG1 3.31Å; R42-T322 PolarHBondContact NH1-O 2.94Å; R42-T322 PolarHBondContact NH1-OG1 3.42Å; R42-Q327 VanDerWaalsContact NH2-CB 3.28Å; R42-E330 WeakPolarHBondContact CA-OE1 3.16Å |
| 43 | T | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 125.1 | 168.2 | -62.9 | 0 | 0 | 0 | 0 | 110 | G45 T46 R51 V52 Y328 E330 | T43-G45 WeakPolarHBondContact CG2-O 3.27Å; T43-T46 HydrophobicContact CG2-CG2 3.93Å; T43-R51 HydrophobicContact CG2-CB 4.24Å; T43-V52 WeakPolarHBondContact CA-O 3.43Å; T43-Y328 HydrophobicContact CG2-CD2 4.35Å; T43-Y328 HydrophobicContact CG2-CG 4.16Å; T43-E330 WeakPolarHBondContact CB-OE2 3.36Å; T43-E330 PolarHBondContact N-OE1 3.33Å; T43-E330 PolarHBondContact OG1-OE2 2.68Å |
| 44 | I | 94 | Very high | 92.3 | Very high | 12 Ų | 12 | 53.7 Ų | 53.7 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | -5.9 | 178.2 | 56.2 | 162.2 | 0 | 0 | 0 | 113.6 | R42 V52 V54 A65 Y117 T322 Y325 Y328 | R42-I44 PolarHBondContact O-N 3.33Å; I44-V52 HydrophobicContact CD1-CG1 3.92Å; I44-V52 HydrophobicContact CG1-CB 4.19Å; I44-V52 HydrophobicContact CG1-CG1 3.86Å; I44-V52 WeakPolarHBondContact CG1-O 3.42Å; I44-V52 PolarHBondContact N-O 3.08Å; I44-V54 HydrophobicContact CB-CG2 4.35Å; I44-V54 HydrophobicContact CD1-CG2 3.71Å; I44-V54 HydrophobicContact CG1-CG2 3.99Å; I44-V54 HydrophobicContact CG2-CG2 3.51Å; I44-A65 HydrophobicContact CD1-CB 4.44Å; I44-Y117 HydrophobicContact CD1-CD2 4.22Å; I44-Y117 HydrophobicContact CD1-CE2 3.92Å; I44-T322 HydrophobicContact CG2-CG2 4.04Å; I44-Y325 HydrophobicContact CB-CD1 3.74Å; I44-Y325 HydrophobicContact CB-CD2 4.29Å; I44-Y325 HydrophobicContact CB-CE1 4.14Å; I44-Y325 HydrophobicContact CB-CG 3.8Å; I44-Y325 HydrophobicContact CD1-CE1 4.07Å; I44-Y325 HydrophobicContact CD1-CE2 4.3Å; I44-Y325 HydrophobicContact CG2-CD1 4.24Å; I44-Y325 HydrophobicContact CG2-CD2 3.93Å; I44-Y325 HydrophobicContact CG2-CG 3.76Å; I44-Y328 WeakPolarHBondContact O-CE2 3.49Å |
| 45 | G | 92 | Very high | 92.6 | Very high | 15 Ų | 15 | 52 Ų | 52 | 16% | 0.155 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 148 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T43 R51 V52 | T43-G45 WeakPolarHBondContact CG2-O 3.27Å; G45-R51 CarbonylContact O-C 3.52Å; G45-R51 WeakPolarHBondContact O-CA 3.27Å; G45-V52 PolarHBondContact N-O 3.29Å; G45-V52 PolarHBondContact O-N 3.13Å |
| 46 | T | 90.7 | Very high | 92.9 | Very high | 75 Ų | 75 | 50.8 Ų | 50.8 | 46% | 0.46 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141.7 | 174.9 | 62.2 | 0 | 0 | 0 | 0 | 109 | T43 R51 Y328 | T43-T46 HydrophobicContact CG2-CG2 3.93Å; T46-R51 HydrophobicContact CG2-CG 4.23Å; T46-Y328 HydrophobicContact CG2-CD1 3.53Å; T46-Y328 HydrophobicContact CG2-CE1 4.09Å; T46-Y328 HydrophobicContact CG2-CG 3.98Å |
| 47 | G | 84.1 | Confident | 93.1 | Very high | 52 Ų | 52 | 41 Ų | 41 | 54% | 0.536 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 175.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F49 G50 | G47-F49 PolarHBondContact O-N 2.95Å; G47-F49 VanDerWaalsContact O-N 3.12Å; G47-G50 PolarHBondContact N-O 3.15Å; G47-G50 PolarHBondContact O-N 3.32Å; G47-G50 VanDerWaalsContact O-O 3.08Å |
| 48 | T | 83.3 | Confident | 93 | Very high | 107 Ų | 107 | 41.3 Ų | 41.3 | 66% | 0.656 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -34 | -175.8 | -47.4 | 0 | 0 | 0 | 0 | 113.4 | L77 | T48-L77 HydrophobicContact CG2-CD1 4.02Š|
| 49 | F | 86.8 | Confident | 92.9 | Very high | 48 Ų | 48 | 44.1 Ų | 44.1 | 21% | 0.211 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -0.2 | -171.9 | -38.2 | -74.6 | 0 | 0 | 0 | 113.7 | G47 L69 V70 E73 L74 L77 Q79 | G47-F49 PolarHBondContact O-N 2.95Å; G47-F49 VanDerWaalsContact O-N 3.12Å; F49-L69 HydrophobicContact CB-CD2 4.17Å; F49-L69 WeakPolarHBondContact O-CA 3.37Å; F49-V70 PolarHBondContact O-N 2.79Å; F49-E73 HydrophobicContact CD1-CG 4.13Å; F49-L74 HydrophobicContact CB-CD2 3.71Å; F49-L74 HydrophobicContact CB-CG 4.28Å; F49-L74 HydrophobicContact CD1-CD2 4.08Å; F49-L74 HydrophobicContact CD2-CD2 4.12Å; F49-L74 HydrophobicContact CG-CD2 3.69Å; F49-L77 HydrophobicContact CD1-CB 4.45Å; F49-L77 HydrophobicContact CD1-CD1 3.88Å; F49-L77 HydrophobicContact CE1-CB 3.76Å; F49-L77 HydrophobicContact CE1-CD1 3.38Å; F49-L77 HydrophobicContact CE1-CG 4.18Å; F49-L77 HydrophobicContact CZ-CD1 4.45Å; F49-Q79 HydrophobicContact CD1-CG 4.32Å; F49-Q79 HydrophobicContact CE1-CB 4.5Å; F49-Q79 HydrophobicContact CE1-CG 3.55Å; F49-Q79 HydrophobicContact CE2-CG 4.04Å; F49-Q79 HydrophobicContact CZ-CB 4.48Å; F49-Q79 HydrophobicContact CZ-CG 3.43Å; F49-Q79 VanDerWaalsContact CZ-CG 3.43Å |
| 50 | G | 90.6 | Very high | 92.7 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 12% | 0.124 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.5 | -165.9 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | G47 V68 | G47-G50 PolarHBondContact N-O 3.15Å; G47-G50 PolarHBondContact O-N 3.32Å; G47-G50 VanDerWaalsContact O-O 3.08Å; G50-V68 CarbonylContact C-O 3.3Å; G50-V68 WeakPolarHBondContact CA-O 3.29Å |
| 51 | R | 94.7 | Very high | 92.6 | Very high | 44 Ų | 44 | 42.6 Ų | 42.6 | 17% | 0.166 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 155.6 | -172.5 | -60 | 179.6 | 170.2 | -113 | 2.7 | 111.2 | T43 G45 T46 I53 K67 V68 F329 W333 | T43-R51 HydrophobicContact CG2-CB 4.24Å; G45-R51 CarbonylContact O-C 3.52Å; G45-R51 WeakPolarHBondContact O-CA 3.27Å; T46-R51 HydrophobicContact CG2-CG 4.23Å; R51-I53 HydrophobicContact CB-CG1 4.37Å; R51-K67 CarbonylContact O-C 3.55Å; R51-K67 WeakPolarHBondContact O-CA 3.4Å; R51-V68 PolarHBondContact N-O 2.87Å; R51-V68 PolarHBondContact O-N 3.05Å; R51-F329 PolarHBondContact NH1-O 3.47Å; R51-W333 HydrophobicContact CB-CH2 4.02Å; R51-W333 HydrophobicContact CB-CZ2 4.25Å; R51-W333 HydrophobicContact CG-CH2 4.1Å; R51-W333 HydrophobicContact CG-CZ2 4.37Å |
| 52 | V | 95.5 | Very high | 92.6 | Very high | 40 Ų | 40 | 41.6 Ų | 41.6 | 24% | 0.242 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.6 | 170.1 | -174.1 | 0 | 0 | 0 | 0 | 107.8 | T43 I44 G45 A65 L66 K67 | T43-V52 WeakPolarHBondContact CA-O 3.43Å; I44-V52 HydrophobicContact CD1-CG1 3.92Å; I44-V52 HydrophobicContact CG1-CB 4.19Å; I44-V52 HydrophobicContact CG1-CG1 3.86Å; I44-V52 WeakPolarHBondContact CG1-O 3.42Å; I44-V52 PolarHBondContact N-O 3.08Å; G45-V52 PolarHBondContact N-O 3.29Å; G45-V52 PolarHBondContact O-N 3.13Å; V52-A65 HydrophobicContact CG1-CB 3.91Å; V52-L66 WeakPolarHBondContact CA-O 3.42Å; V52-K67 HydrophobicContact CG2-CB 4.36Å; V52-K67 HydrophobicContact CG2-CG 4.19Å |
| 53 | I | 96.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131.9 | -173 | -47.6 | 171.9 | 0 | 0 | 0 | 108 | L40 R42 R51 V55 A65 L66 V68 W333 | L40-I53 HydrophobicContact CB-CG2 4.26Å; L40-I53 HydrophobicContact CD2-CD1 3.76Å; L40-I53 HydrophobicContact CD2-CG2 4.42Å; R42-I53 CarbonylContact O-C 3.51Å; R42-I53 WeakPolarHBondContact O-CA 3.43Å; R42-I53 WeakPolarHBondContact O-CG2 3.28Å; R51-I53 HydrophobicContact CB-CG1 4.37Å; I53-V55 HydrophobicContact CB-CG1 4.4Å; I53-V55 HydrophobicContact CG2-CG1 4.31Å; I53-V55 PolarHBondContact O-N 3.01Å; I53-A65 CarbonylContact O-C 3.52Å; I53-L66 PolarHBondContact N-O 2.95Å; I53-L66 PolarHBondContact O-N 3.29Å; I53-V68 HydrophobicContact CD1-CG2 3.85Å; I53-W333 HydrophobicContact CD1-CH2 4.23Å; I53-W333 HydrophobicContact CD1-CZ2 3.46Å; I53-W333 VanDerWaalsContact CD1-CZ2 3.46Å; I53-W333 HydrophobicContact CG1-CZ2 4.44Å |
| 54 | V | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 130.8 | 168.1 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | L41 R42 I44 Y63 Y64 Y117 T322 | L41-V54 WeakPolarHBondContact CB-O 3.36Å; L41-V54 HydrophobicContact CD1-CG1 4.25Å; L41-V54 PolarHBondContact N-O 3.31Å; R42-V54 PolarHBondContact O-N 3.28Å; I44-V54 HydrophobicContact CB-CG2 4.35Å; I44-V54 HydrophobicContact CD1-CG2 3.71Å; I44-V54 HydrophobicContact CG1-CG2 3.99Å; I44-V54 HydrophobicContact CG2-CG2 3.51Å; V54-Y63 HydrophobicContact CG1-CD1 4.25Å; V54-Y64 WeakPolarHBondContact CA-O 3.28Å; V54-Y117 HydrophobicContact CG1-CD1 4.2Å; V54-Y117 HydrophobicContact CG1-CE1 4.1Å; V54-Y117 HydrophobicContact CG1-CE2 4.46Å; V54-Y117 HydrophobicContact CG1-CG 4.42Å; V54-Y117 HydrophobicContact CG2-CD2 3.76Å; V54-Y117 HydrophobicContact CG2-CE1 4.33Å; V54-Y117 HydrophobicContact CG2-CE2 3.35Å; V54-Y117 HydrophobicContact CG2-CG 4.45Å; V54-T322 HydrophobicContact CB-CG2 4.21Å; V54-T322 HydrophobicContact CG1-CG2 4.49Å; V54-T322 HydrophobicContact CG2-CG2 3.84Å |
| 55 | V | 97 | Very high | 93 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 148.1 | -177.2 | -57 | 0 | 0 | 0 | 0 | 111.4 | V38 E39 L40 I53 Y63 Y64 L66 L114 | V38-V55 HydrophobicContact CG1-CB 3.33Å; V38-V55 HydrophobicContact CG1-CG1 3.97Å; V38-V55 HydrophobicContact CG1-CG2 3.56Å; E39-V55 CarbonylContact O-C 3.51Å; E39-V55 WeakPolarHBondContact O-CA 3.45Å; E39-V55 WeakPolarHBondContact O-CB 3.26Å; L40-V55 HydrophobicContact CG-CG1 4.41Å; I53-V55 HydrophobicContact CB-CG1 4.4Å; I53-V55 HydrophobicContact CG2-CG1 4.31Å; I53-V55 PolarHBondContact O-N 3.01Å; V55-Y63 CarbonylContact O-C 3.53Å; V55-Y63 VanDerWaalsContact O-CA 3.27Å; V55-Y63 WeakPolarHBondContact O-CA 3.16Å; V55-Y64 PolarHBondContact N-O 3.32Å; V55-Y64 PolarHBondContact O-N 2.93Å; V55-L66 HydrophobicContact CG1-CB 3.63Å; V55-L66 HydrophobicContact CG1-CD2 4.07Å; V55-L66 HydrophobicContact CG2-CB 4.11Å; V55-L114 HydrophobicContact CG2-CD1 3.94Å |
| 56 | H | 96.8 | Very high | 93.3 | Very high | 20 Ų | 20 | 42 Ų | 42 | 9% | 0.093 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 115.6 | 176.9 | 176.6 | -137 | 0 | 0 | 0 | 110 | V38 E39 L41 K58 Q61 Y63 | V38-H56 WeakPolarHBondContact CA-O 3.41Å; E39-H56 HydrophobicContact CB-CB 4.35Å; E39-H56 PolarHBondContact N-O 3.45Å; E39-H56 PolarHBondContact O-N 2.98Å; E39-H56 IonicContact OE2-ND1 2.65Å; L41-H56 HydrophobicContact CD1-CB 3.99Å; L41-H56 HydrophobicContact CG-CB 4.46Å; H56-K58 PolarHBondContact O-N 3.48Å; H56-Q61 WeakPolarHBondContact NE2-CA 3.47Å; H56-Y63 HydrophobicContact CB-CD1 4.02Å; H56-Y63 HydrophobicContact CB-CE1 3.83Å; H56-Y63 AromaticContact CD2-CZ 3.84Å |
| 57 | D | 95.5 | Very high | 93.5 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.043 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 107.8 | 171.9 | 177.4 | 5.4 | 0 | 0 | 0 | 109.3 | C59 S60 Q61 Q62 Y64 | D57-C59 PolarHBondContact O-N 3.38Å; D57-C59 VanDerWaalsContact O-N 3.13Å; D57-C59 VanDerWaalsContact OD1-CB 3.32Å; D57-C59 WeakPolarHBondContact OD1-CB 3.45Å; D57-C59 PolarHBondContact OD1-N 2.95Å; D57-S60 PolarHBondContact O-N 3.31Å; D57-S60 PolarHBondContact OD2-OG 3.31Å; D57-S60 VanDerWaalsContact OD2-OG 3.12Å; D57-Q61 VanDerWaalsContact O-CA 3.26Å; D57-Q61 WeakPolarHBondContact O-CA 3.47Å; D57-Q61 PolarHBondContact O-N 3.17Å; D57-Q62 PolarHBondContact N-O 2.96Å; D57-Y64 HydrophobicContact CB-CD2 4.19Å; D57-Y64 HydrophobicContact CB-CE2 3.76Å |
| 58 | K | 92.9 | Very high | 94.1 | Very high | 113 Ų | 113 | 37.8 Ų | 37.8 | 49% | 0.491 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.1 | -179.7 | -62.4 | -177.1 | -175.8 | -171.9 | 0 | 112.8 | K37 H56 Q61 | K37-K58 WeakPolarHBondContact O-CB 3.43Å; K37-K58 WeakPolarHBondContact O-CG 3.22Å; K37-K58 PolarHBondContact O-N 2.93Å; H56-K58 PolarHBondContact O-N 3.48Å; K58-Q61 PolarHBondContact O-NE2 3.34Å |
| 59 | C | 90.5 | Very high | 94.7 | Very high | 72 Ų | 72 | 33 Ų | 33 | 49% | 0.486 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -47.7 | 179.9 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | K37 D57 | K37-C59 WeakPolarHBondContact CD-SG 3.24Å; D57-C59 PolarHBondContact O-N 3.38Å; D57-C59 VanDerWaalsContact O-N 3.13Å; D57-C59 VanDerWaalsContact OD1-CB 3.32Å; D57-C59 WeakPolarHBondContact OD1-CB 3.45Å; D57-C59 PolarHBondContact OD1-N 2.95Å |
| 60 | S | 91.3 | Very high | 95.1 | Very high | 32 Ų | 32 | 32 Ų | 32 | 22% | 0.224 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -12.7 | 179.8 | 74 | 0 | 0 | 0 | 0 | 113.9 | D57 Q62 | D57-S60 PolarHBondContact O-N 3.31Å; D57-S60 PolarHBondContact OD2-OG 3.31Å; D57-S60 VanDerWaalsContact OD2-OG 3.12Å; S60-Q62 PolarHBondContact O-N 3.43Å; S60-Q62 VanDerWaalsContact OG-CB 3.31Å; S60-Q62 WeakPolarHBondContact OG-CB 3.37Å; S60-Q62 WeakPolarHBondContact OG-CG 3.42Å; S60-Q62 PolarHBondContact OG-N 3.31Å |
| 61 | Q | 93 | Very high | 95.4 | Very high | 114 Ų | 114 | 31.4 Ų | 31.4 | 53% | 0.533 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 34.6 | -170 | -59.4 | -70.3 | -59.9 | 0 | 0 | 112.5 | H56 D57 K58 | H56-Q61 WeakPolarHBondContact NE2-CA 3.47Å; D57-Q61 VanDerWaalsContact O-CA 3.26Å; D57-Q61 WeakPolarHBondContact O-CA 3.47Å; D57-Q61 PolarHBondContact O-N 3.17Å; K58-Q61 PolarHBondContact O-NE2 3.34Å |
| 62 | Q | 94.3 | Very high | 95.4 | Very high | 51 Ų | 51 | 32.9 Ų | 32.9 | 24% | 0.238 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 155.8 | -179.8 | -61.3 | -61.4 | -55.2 | 0 | 0 | 110.3 | D57 S60 Y64 | D57-Q62 PolarHBondContact N-O 2.96Å; S60-Q62 PolarHBondContact O-N 3.43Å; S60-Q62 VanDerWaalsContact OG-CB 3.31Å; S60-Q62 WeakPolarHBondContact OG-CB 3.37Å; S60-Q62 WeakPolarHBondContact OG-CG 3.42Å; S60-Q62 PolarHBondContact OG-N 3.31Å; Q62-Y64 HydrophobicContact CB-CE2 3.8Å; Q62-Y64 WeakPolarHBondContact CB-OH 3.42Å |
| 63 | Y | 96.4 | Very high | 95.4 | Very high | 65 Ų | 65 | 33.2 Ų | 33.2 | 26% | 0.255 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 142.5 | 177.8 | -63.1 | -96.2 | 0 | 0 | 0 | 110.6 | L41 V54 V55 H56 D319 G320 | L41-Y63 HydrophobicContact CD1-CD1 3.77Å; L41-Y63 HydrophobicContact CD1-CE1 3.51Å; V54-Y63 HydrophobicContact CG1-CD1 4.25Å; V55-Y63 CarbonylContact O-C 3.53Å; V55-Y63 VanDerWaalsContact O-CA 3.27Å; V55-Y63 WeakPolarHBondContact O-CA 3.16Å; H56-Y63 HydrophobicContact CB-CD1 4.02Å; H56-Y63 HydrophobicContact CB-CE1 3.83Å; H56-Y63 AromaticContact CD2-CZ 3.84Å; Y63-D319 HydrophobicContact CD2-CB 3.76Å; Y63-D319 HydrophobicContact CE2-CB 4.11Å; Y63-G320 VanDerWaalsContact CE1-CA 3.42Å |
| 64 | Y | 97.5 | Very high | 95.3 | Very high | 14 Ų | 14 | 33.1 Ų | 33.1 | 6% | 0.055 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 163.6 | -179.9 | -58.7 | -77.3 | 0 | 0 | 0 | 110.2 | F28 V54 V55 D57 Q62 Y102 L114 F115 | F28-Y64 AromaticContact CD2-CE1 3.91Å; F28-Y64 HydrophobicContact CD2-CE1 3.91Å; F28-Y64 AromaticContact CD2-CZ 3.74Å; F28-Y64 WeakPolarHBondContact CD2-OH 3.46Å; F28-Y64 HydrophobicContact CE2-CE1 4.28Å; V54-Y64 WeakPolarHBondContact CA-O 3.28Å; V55-Y64 PolarHBondContact N-O 3.32Å; V55-Y64 PolarHBondContact O-N 2.93Å; D57-Y64 HydrophobicContact CB-CD2 4.19Å; D57-Y64 HydrophobicContact CB-CE2 3.76Å; Q62-Y64 HydrophobicContact CB-CE2 3.8Å; Q62-Y64 WeakPolarHBondContact CB-OH 3.42Å; Y64-Y102 AromaticContact CD1-CD2 3.79Å; Y64-Y102 HydrophobicContact CD1-CD2 3.79Å; Y64-Y102 HydrophobicContact CD1-CE2 4.1Å; Y64-Y102 AromaticContact CE1-CD2 3.83Å; Y64-Y102 HydrophobicContact CE1-CD2 3.83Å; Y64-Y102 AromaticContact CE1-CE2 3.98Å; Y64-Y102 HydrophobicContact CE1-CE2 3.98Å; Y64-Y102 HydrophobicContact CE1-CG 4.43Å; Y64-L114 HydrophobicContact CD1-CD2 4.22Å; Y64-L114 HydrophobicContact CD1-CG 4.32Å; Y64-L114 HydrophobicContact CD2-CD1 4.38Å; Y64-L114 HydrophobicContact CD2-CD2 4.27Å; Y64-L114 HydrophobicContact CG-CD1 4Å; Y64-L114 HydrophobicContact CG-CD2 4.03Å; Y64-L114 HydrophobicContact CG-CG 4.01Å; Y64-F115 WeakPolarHBondContact CA-O 3.48Å; Y64-F115 WeakPolarHBondContact CB-O 3.17Å |
| 65 | A | 97.5 | Very high | 95.3 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 7% | 0.066 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 115.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | I44 V52 I53 F115 Y117 | I44-A65 HydrophobicContact CD1-CB 4.44Å; V52-A65 HydrophobicContact CG1-CB 3.91Å; I53-A65 CarbonylContact O-C 3.52Å; A65-F115 HydrophobicContact CB-CB 4.22Å; A65-F115 PolarHBondContact N-O 3.43Å; A65-F115 PolarHBondContact O-N 3.29Å; A65-Y117 HydrophobicContact CB-CD2 4.42Å |
| 66 | L | 97.5 | Very high | 95.2 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 109.5 | 178.2 | -174.3 | 68.3 | 0 | 0 | 0 | 109.6 | L35 V52 I53 V55 V68 Y112 L114 | L35-L66 HydrophobicContact CD1-CD1 4.34Å; L35-L66 HydrophobicContact CD1-CD2 3.82Å; V52-L66 WeakPolarHBondContact CA-O 3.42Å; I53-L66 PolarHBondContact N-O 2.95Å; I53-L66 PolarHBondContact O-N 3.29Å; V55-L66 HydrophobicContact CG1-CB 3.63Å; V55-L66 HydrophobicContact CG1-CD2 4.07Å; V55-L66 HydrophobicContact CG2-CB 4.11Å; L66-V68 HydrophobicContact CD2-CG2 3.86Å; L66-V68 HydrophobicContact CG-CG2 3.85Å; L66-V68 PolarHBondContact O-N 2.91Å; L66-Y112 HydrophobicContact CD1-CD1 4.23Å; L66-Y112 HydrophobicContact CD2-CD1 4.12Å; L66-Y112 HydrophobicContact CG-CD1 4.33Å; L66-L114 HydrophobicContact CB-CD1 4.45Å; L66-L114 HydrophobicContact CD1-CB 4.44Å; L66-L114 HydrophobicContact CD1-CD1 3.99Å |
| 67 | K | 96.3 | Very high | 95 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 16% | 0.157 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 114.2 | 168.2 | -167.1 | 179.7 | -169.2 | -179.1 | 0 | 107.7 | R51 V52 L69 E86 Y112 M113 F115 | R51-K67 CarbonylContact O-C 3.55Å; R51-K67 WeakPolarHBondContact O-CA 3.4Å; V52-K67 HydrophobicContact CG2-CB 4.36Å; V52-K67 HydrophobicContact CG2-CG 4.19Å; K67-L69 HydrophobicContact CD-CD2 4.49Å; K67-L69 HydrophobicContact CG-CD2 4.15Å; K67-L69 HydrophobicContact CG-CG 4.23Å; K67-E86 VanDerWaalsContact NZ-CD 3.3Å; K67-E86 IonicContact NZ-OE1 2.9Å; K67-E86 PolarHBondContact NZ-OE1 3.04Å; K67-E86 IonicContact NZ-OE2 2.87Å; K67-E86 PolarHBondContact NZ-OE2 3.44Å; K67-Y112 WeakPolarHBondContact O-CA 3.41Å; K67-M113 HydrophobicContact CB-CB 4.24Å; K67-M113 HydrophobicContact CD-SD 4.4Å; K67-M113 PolarHBondContact N-O 2.97Å; K67-M113 PolarHBondContact O-N 3.38Å; K67-F115 HydrophobicContact CB-CD2 4.24Å; K67-F115 HydrophobicContact CB-CE2 3.87Å; K67-F115 HydrophobicContact CD-CE2 4.05Å |
| 68 | V | 96.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.024 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 118.4 | 178.5 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | G50 R51 I53 L66 F110 L111 Y112 W333 | G50-V68 CarbonylContact C-O 3.3Å; G50-V68 WeakPolarHBondContact CA-O 3.29Å; R51-V68 PolarHBondContact N-O 2.87Å; R51-V68 PolarHBondContact O-N 3.05Å; I53-V68 HydrophobicContact CD1-CG2 3.85Å; L66-V68 HydrophobicContact CD2-CG2 3.86Å; L66-V68 HydrophobicContact CG-CG2 3.85Å; L66-V68 PolarHBondContact O-N 2.91Å; V68-F110 HydrophobicContact CG1-CB 3.92Å; V68-F110 HydrophobicContact CG1-CD1 3.79Å; V68-F110 HydrophobicContact CG1-CE1 4.48Å; V68-F110 HydrophobicContact CG1-CG 3.83Å; V68-L111 WeakPolarHBondContact CA-O 3.41Å; V68-Y112 HydrophobicContact CB-CD1 4.49Å; V68-Y112 HydrophobicContact CB-CE1 4.49Å; V68-Y112 HydrophobicContact CG1-CD1 4.18Å; V68-Y112 HydrophobicContact CG1-CE1 3.79Å; V68-Y112 HydrophobicContact CG2-CD1 4.04Å; V68-Y112 HydrophobicContact CG2-CE1 4.11Å; V68-W333 HydrophobicContact CB-CH2 3.8Å; V68-W333 HydrophobicContact CB-CZ3 4.05Å; V68-W333 HydrophobicContact CG1-CE3 4.19Å; V68-W333 HydrophobicContact CG1-CH2 3.77Å; V68-W333 HydrophobicContact CG1-CZ3 3.47Å; V68-W333 VanDerWaalsContact CG1-CZ3 3.47Å; V68-W333 HydrophobicContact CG2-CH2 4.43Å |
| 69 | L | 95.9 | Very high | 95 | Very high | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 136 | -175.9 | -56.6 | 164 | 0 | 0 | 0 | 110.5 | F49 K67 I71 L74 V83 F110 L111 M113 | F49-L69 HydrophobicContact CB-CD2 4.17Å; F49-L69 WeakPolarHBondContact O-CA 3.37Å; K67-L69 HydrophobicContact CD-CD2 4.49Å; K67-L69 HydrophobicContact CG-CD2 4.15Å; K67-L69 HydrophobicContact CG-CG 4.23Å; L69-I71 PolarHBondContact O-N 3.16Å; L69-L74 HydrophobicContact CB-CD1 3.87Å; L69-L74 HydrophobicContact CB-CG 4.49Å; L69-L74 HydrophobicContact CD1-CD1 4.35Å; L69-V83 HydrophobicContact CD1-CG1 3.93Å; L69-V83 HydrophobicContact CD1-CG2 4.27Å; L69-F110 CarbonylContact O-C 3.58Å; L69-F110 WeakPolarHBondContact O-CA 3.29Å; L69-L111 HydrophobicContact CB-CB 4.25Å; L69-L111 PolarHBondContact N-O 3.15Å; L69-L111 PolarHBondContact O-N 3.15Å; L69-M113 HydrophobicContact CD1-SD 4.48Å |
| 70 | V | 95.4 | Very high | 95.1 | Very high | 26 Ų | 26 | 46.9 Ų | 46.9 | 16% | 0.158 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 117 | 178.8 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | F49 E72 E73 L74 F110 I336 | F49-V70 PolarHBondContact O-N 2.79Å; V70-E72 VanDerWaalsContact C-N 3.34Å; V70-E72 PolarHBondContact O-N 2.83Å; V70-E73 HydrophobicContact CB-CB 3.95Å; V70-E73 HydrophobicContact CG1-CB 4.15Å; V70-E73 PolarHBondContact O-N 3.15Å; V70-L74 WeakPolarHBondContact O-CG 3.23Å; V70-L74 PolarHBondContact O-N 3.23Å; V70-L74 VanDerWaalsContact O-N 3.1Å; V70-F110 HydrophobicContact CG2-CD1 4.27Å; V70-F110 HydrophobicContact CG2-CE1 4.06Å; V70-I336 HydrophobicContact CG1-CG2 4.05Å; V70-I336 HydrophobicContact CG2-CD1 3.84Å |
| 71 | I | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.4 | -47.3 | -176.3 | -73.3 | 169.7 | 0 | 0 | 0 | 111.2 | L69 E73 L74 V75 K109 L111 R344 F347 | L69-I71 PolarHBondContact O-N 3.16Å; I71-E73 VanDerWaalsContact C-N 3.28Å; I71-E73 PolarHBondContact O-N 2.75Å; I71-L74 PolarHBondContact O-N 3.33Å; I71-V75 WeakPolarHBondContact O-CG2 3.44Å; I71-V75 PolarHBondContact O-N 3.19Å; I71-V75 VanDerWaalsContact O-N 3.1Å; I71-K109 WeakPolarHBondContact CB-O 3.48Å; I71-K109 PolarHBondContact N-O 3.37Å; I71-L111 HydrophobicContact CD1-CG 4.47Å; I71-L111 HydrophobicContact CG1-CD2 4.5Å; I71-L111 HydrophobicContact CG1-CG 3.87Å; I71-R344 HydrophobicContact CD1-CG 4.35Å; I71-F347 HydrophobicContact CG1-CD2 4.35Å; I71-F347 HydrophobicContact CG2-CD2 4.04Å; I71-F347 HydrophobicContact CG2-CE2 4.13Å |
| 72 | E | 95 | Very high | 95.1 | Very high | 74 Ų | 74 | 50.4 Ų | 50.4 | 35% | 0.346 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.9 | -35.8 | -174.8 | -157.8 | 63.2 | -154 | 0 | 0 | 111.6 | V70 V75 R76 S339 S340 S343 | V70-E72 VanDerWaalsContact C-N 3.34Å; V70-E72 PolarHBondContact O-N 2.83Å; E72-V75 PolarHBondContact O-N 3.18Å; E72-R76 WeakPolarHBondContact O-CB 3.47Å; E72-R76 PolarHBondContact O-N 2.99Å; E72-S339 WeakPolarHBondContact OE2-CA 3.33Å; E72-S339 WeakPolarHBondContact OE2-CB 3.46Å; E72-S340 PolarHBondContact OE2-N 3.33Å; E72-S343 PolarHBondContact OE1-OG 3.16Å; E72-S343 VanDerWaalsContact OE2-CB 3.23Å; E72-S343 WeakPolarHBondContact OE2-CB 3.23Å; E72-S343 PolarHBondContact OE2-OG 2.81Å |
| 73 | E | 94.6 | Very high | 95.1 | Very high | 48 Ų | 48 | 48.4 Ų | 48.4 | 22% | 0.224 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.5 | -38.2 | 178.8 | -170.1 | 62.2 | -175.2 | 0 | 0 | 112 | F49 V70 I71 V75 R76 L77 | F49-E73 HydrophobicContact CD1-CG 4.13Å; V70-E73 HydrophobicContact CB-CB 3.95Å; V70-E73 HydrophobicContact CG1-CB 4.15Å; V70-E73 PolarHBondContact O-N 3.15Å; I71-E73 VanDerWaalsContact C-N 3.28Å; I71-E73 PolarHBondContact O-N 2.75Å; E73-V75 VanDerWaalsContact C-N 3.31Å; E73-V75 PolarHBondContact O-N 3.25Å; E73-R76 PolarHBondContact O-N 3.46Å; E73-R76 IonicContact OE1-CZ 2.94Å; E73-R76 IonicContact OE1-NE 3.72Å; E73-R76 IonicContact OE1-NH2 3.33Å; E73-R76 PolarHBondContact OE1-NH2 3.15Å; E73-R76 IonicContact OE2-CZ 3.8Å; E73-R76 IonicContact OE2-NE 3.6Å; E73-R76 PolarHBondContact OE2-NE 2.94Å; E73-R76 IonicContact OE2-NH2 3.99Å; E73-R76 PolarHBondContact OE2-NH2 3.26Å; E73-L77 HydrophobicContact CG-CD1 4.14Å; E73-L77 WeakPolarHBondContact O-CB 3.48Å; E73-L77 PolarHBondContact O-N 3.48Å; E73-L77 WeakPolarHBondContact OE1-CD1 3.45Å |
| 74 | L | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 172.7 | -70.4 | 173.5 | 0 | 0 | 0 | 112.1 | F49 L69 V70 I71 K78 Q79 V83 L111 F347 | F49-L74 HydrophobicContact CB-CD2 3.71Å; F49-L74 HydrophobicContact CB-CG 4.28Å; F49-L74 HydrophobicContact CD1-CD2 4.08Å; F49-L74 HydrophobicContact CD2-CD2 4.12Å; F49-L74 HydrophobicContact CG-CD2 3.69Å; L69-L74 HydrophobicContact CB-CD1 3.87Å; L69-L74 HydrophobicContact CB-CG 4.49Å; L69-L74 HydrophobicContact CD1-CD1 4.35Å; V70-L74 WeakPolarHBondContact O-CG 3.23Å; V70-L74 PolarHBondContact O-N 3.23Å; V70-L74 VanDerWaalsContact O-N 3.1Å; I71-L74 PolarHBondContact O-N 3.33Å; L74-K78 PolarHBondContact O-N 3.18Å; L74-K78 VanDerWaalsContact O-N 3.14Å; L74-Q79 HydrophobicContact CD2-CB 3.81Å; L74-Q79 PolarHBondContact O-N 3.07Å; L74-V83 HydrophobicContact CD1-CG2 4.2Å; L74-V83 HydrophobicContact CD2-CG2 3.68Å; L74-L111 HydrophobicContact CD1-CD1 3.46Å; L74-L111 VanDerWaalsContact CD1-CD1 3.46Å; L74-L111 HydrophobicContact CD1-CG 4.5Å; L74-F347 HydrophobicContact CB-CZ 4.44Å; L74-F347 HydrophobicContact CD1-CZ 4.17Å |
| 75 | V | 95.7 | Very high | 94.8 | Very high | 42 Ų | 42 | 50.2 Ų | 50.2 | 26% | 0.255 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69.4 | -48.2 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | I71 E72 E73 L77 K78 V80 L346 F347 | I71-V75 WeakPolarHBondContact O-CG2 3.44Å; I71-V75 PolarHBondContact O-N 3.19Å; I71-V75 VanDerWaalsContact O-N 3.1Å; E72-V75 PolarHBondContact O-N 3.18Å; E73-V75 VanDerWaalsContact C-N 3.31Å; E73-V75 PolarHBondContact O-N 3.25Å; V75-L77 VanDerWaalsContact C-N 3.28Å; V75-L77 PolarHBondContact O-N 3.3Å; V75-K78 PolarHBondContact O-N 2.85Å; V75-V80 HydrophobicContact CG2-CG2 3.85Å; V75-L346 HydrophobicContact CG1-CD1 4.39Å; V75-L346 HydrophobicContact CG2-CD1 3.75Å; V75-F347 HydrophobicContact CG2-CE2 4.35Å |
| 76 | R | 94.4 | Very high | 94.7 | Very high | 160 Ų | 160 | 50.1 Ų | 50.1 | 60% | 0.604 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -56.2 | -42.7 | 179.3 | -169.7 | -175.6 | 75 | 84 | -3.6 | 112.2 | E72 E73 K78 | E72-R76 WeakPolarHBondContact O-CB 3.47Å; E72-R76 PolarHBondContact O-N 2.99Å; E73-R76 PolarHBondContact O-N 3.46Å; E73-R76 IonicContact OE1-CZ 2.94Å; E73-R76 IonicContact OE1-NE 3.72Å; E73-R76 IonicContact OE1-NH2 3.33Å; E73-R76 PolarHBondContact OE1-NH2 3.15Å; E73-R76 IonicContact OE2-CZ 3.8Å; E73-R76 IonicContact OE2-NE 3.6Å; E73-R76 PolarHBondContact OE2-NE 2.94Å; E73-R76 IonicContact OE2-NH2 3.99Å; E73-R76 PolarHBondContact OE2-NH2 3.26Å; R76-K78 VanDerWaalsContact C-N 3.34Å |
| 77 | L | 93.5 | Very high | 94.7 | Very high | 55 Ų | 55 | 51.8 Ų | 51.8 | 29% | 0.288 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 10.9 | -179.6 | -64.2 | -180 | 0 | 0 | 0 | 113.8 | T48 F49 E73 V75 Q79 | T48-L77 HydrophobicContact CG2-CD1 4.02Å; F49-L77 HydrophobicContact CD1-CB 4.45Å; F49-L77 HydrophobicContact CD1-CD1 3.88Å; F49-L77 HydrophobicContact CE1-CB 3.76Å; F49-L77 HydrophobicContact CE1-CD1 3.38Å; F49-L77 HydrophobicContact CE1-CG 4.18Å; F49-L77 HydrophobicContact CZ-CD1 4.45Å; E73-L77 HydrophobicContact CG-CD1 4.14Å; E73-L77 WeakPolarHBondContact O-CB 3.48Å; E73-L77 PolarHBondContact O-N 3.48Å; E73-L77 WeakPolarHBondContact OE1-CD1 3.45Å; V75-L77 VanDerWaalsContact C-N 3.28Å; V75-L77 PolarHBondContact O-N 3.3Å; L77-Q79 VanDerWaalsContact C-N 3.33Å; L77-Q79 HydrophobicContact CB-CG 4.22Å; L77-Q79 PolarHBondContact O-N 3.44Å; L77-Q79 PolarHBondContact O-NE2 2.99Å |
| 78 | K | 94 | Very high | 94.7 | Very high | 181 Ų | 181 | 52.8 Ų | 52.8 | 79% | 0.787 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 38.9 | 175 | -56.5 | -178.4 | -179.3 | 179.4 | 0 | 114.3 | L74 V75 R76 | L74-K78 PolarHBondContact O-N 3.18Å; L74-K78 VanDerWaalsContact O-N 3.14Å; V75-K78 PolarHBondContact O-N 2.85Å; R76-K78 VanDerWaalsContact C-N 3.34Å |
| 79 | Q | 93.5 | Very high | 94.7 | Very high | 49 Ų | 49 | 52.6 Ų | 52.6 | 23% | 0.229 | 25% | 0.25 | C | C | . | . | trans | -99.6 | 4.3 | -177.9 | -60.5 | -56.3 | -49.7 | 0 | 0 | 114.6 | F49 L74 L77 E81 H82 V83 | F49-Q79 HydrophobicContact CD1-CG 4.32Å; F49-Q79 HydrophobicContact CE1-CB 4.5Å; F49-Q79 HydrophobicContact CE1-CG 3.55Å; F49-Q79 HydrophobicContact CE2-CG 4.04Å; F49-Q79 HydrophobicContact CZ-CB 4.48Å; F49-Q79 HydrophobicContact CZ-CG 3.43Å; F49-Q79 VanDerWaalsContact CZ-CG 3.43Å; L74-Q79 HydrophobicContact CD2-CB 3.81Å; L74-Q79 PolarHBondContact O-N 3.07Å; L77-Q79 VanDerWaalsContact C-N 3.33Å; L77-Q79 HydrophobicContact CB-CG 4.22Å; L77-Q79 PolarHBondContact O-N 3.44Å; L77-Q79 PolarHBondContact O-NE2 2.99Å; Q79-E81 VanDerWaalsContact C-N 3.34Å; Q79-E81 PolarHBondContact O-N 3.5Å; Q79-H82 PolarHBondContact O-N 3.01Å; Q79-H82 VanDerWaalsContact O-N 3.16Å; Q79-H82 PolarHBondContact OE1-ND1 3.39Å; Q79-V83 PolarHBondContact O-N 2.9Å; Q79-V83 VanDerWaalsContact O-N 3.07Å | ||
| 80 | V | 93.9 | Very high | 94.8 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -52.9 | -49.7 | -176.4 | 176.1 | 0 | 0 | 0 | 0 | 112.2 | V75 V83 K84 L346 F347 | V75-V80 HydrophobicContact CG2-CG2 3.85Å; V80-V83 PolarHBondContact O-N 3.38Å; V80-K84 HydrophobicContact CG1-CD 4.33Å; V80-K84 WeakPolarHBondContact O-CG 3.42Å; V80-K84 PolarHBondContact O-N 3.15Å; V80-K84 VanDerWaalsContact O-N 3.12Å; V80-L346 HydrophobicContact CG1-CB 4.17Å; V80-L346 HydrophobicContact CG2-CD1 4.1Å; V80-F347 HydrophobicContact CB-CZ 4.01Å; V80-F347 HydrophobicContact CG1-CE1 3.92Å; V80-F347 HydrophobicContact CG1-CE2 4.42Å; V80-F347 HydrophobicContact CG1-CZ 3.74Å; V80-F347 HydrophobicContact CG2-CE2 4.16Å; V80-F347 HydrophobicContact CG2-CZ 3.78Å |
| 81 | E | 92.2 | Very high | 94.8 | Very high | 128 Ų | 128 | 56 Ų | 56 | 60% | 0.598 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -70.7 | -33.5 | -178.1 | -65.9 | -55.3 | 119.7 | 0 | 0 | 112.4 | Q79 K84 N85 | Q79-E81 VanDerWaalsContact C-N 3.34Å; Q79-E81 PolarHBondContact O-N 3.5Å; E81-K84 PolarHBondContact O-N 3.46Å; E81-K84 IonicContact OE1-NZ 3.39Å; E81-N85 WeakPolarHBondContact O-CB 3.21Å; E81-N85 PolarHBondContact O-N 3.46Å |
| 82 | H | 90.7 | Very high | 94.7 | Very high | 92 Ų | 92 | 60.8 Ų | 60.8 | 43% | 0.426 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 175.8 | -64.4 | 143.9 | 0 | 0 | 0 | 111.5 | Q79 N85 E86 | Q79-H82 PolarHBondContact O-N 3.01Å; Q79-H82 VanDerWaalsContact O-N 3.16Å; Q79-H82 PolarHBondContact OE1-ND1 3.39Å; H82-N85 PolarHBondContact O-N 3.39Å; H82-E86 WeakPolarHBondContact O-CB 3.47Å; H82-E86 PolarHBondContact O-N 3.34Å |
| 83 | V | 94.7 | Very high | 94.9 | Very high | 9 Ų | 9 | 58 Ų | 58 | 6% | 0.055 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.3 | -38.5 | 178.8 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | L69 L74 Q79 V80 E86 K87 L111 F350 | L69-V83 HydrophobicContact CD1-CG1 3.93Å; L69-V83 HydrophobicContact CD1-CG2 4.27Å; L74-V83 HydrophobicContact CD1-CG2 4.2Å; L74-V83 HydrophobicContact CD2-CG2 3.68Å; Q79-V83 PolarHBondContact O-N 2.9Å; Q79-V83 VanDerWaalsContact O-N 3.07Å; V80-V83 PolarHBondContact O-N 3.38Å; V83-E86 PolarHBondContact O-N 3.27Å; V83-K87 PolarHBondContact O-N 3.31Å; V83-L111 HydrophobicContact CG1-CD1 4.23Å; V83-F350 HydrophobicContact CG1-CE2 3.73Å; V83-F350 HydrophobicContact CG1-CZ 3.78Å |
| 84 | K | 95.3 | Very high | 95 | Very high | 69 Ų | 69 | 61.5 Ų | 61.5 | 30% | 0.3 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 173.7 | -75.3 | 178.4 | 179.2 | 175.6 | 0 | 112.2 | V80 E81 S88 L346 | V80-K84 HydrophobicContact CG1-CD 4.33Å; V80-K84 WeakPolarHBondContact O-CG 3.42Å; V80-K84 PolarHBondContact O-N 3.15Å; V80-K84 VanDerWaalsContact O-N 3.12Å; E81-K84 PolarHBondContact O-N 3.46Å; E81-K84 IonicContact OE1-NZ 3.39Å; K84-S88 WeakPolarHBondContact O-CB 3.44Å; K84-S88 PolarHBondContact O-N 2.93Å; K84-L346 WeakPolarHBondContact CE-O 3.26Å; K84-L346 PolarHBondContact NZ-O 3.43Å |
| 85 | N | 93.7 | Very high | 95.1 | Very high | 48 Ų | 48 | 62.2 Ų | 62.2 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.6 | -44 | 176.8 | 175.2 | 77.2 | 0 | 0 | 0 | 111.6 | E81 H82 K87 S88 I89 A183 | E81-N85 WeakPolarHBondContact O-CB 3.21Å; E81-N85 PolarHBondContact O-N 3.46Å; H82-N85 PolarHBondContact O-N 3.39Å; N85-K87 PolarHBondContact O-N 3.2Å; N85-S88 PolarHBondContact O-N 2.96Å; N85-I89 WeakPolarHBondContact O-CB 3.42Å; N85-I89 WeakPolarHBondContact O-CG1 3.48Å; N85-I89 PolarHBondContact O-N 3.45Å; N85-A183 PolarHBondContact ND2-O 3.46Å |
| 86 | E | 95.5 | Very high | 95.2 | Very high | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.028 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -53.7 | -52.6 | 173.4 | 179.6 | -178.6 | -168.3 | 0 | 0 | 110.3 | K67 H82 V83 S88 I89 L90 M113 F180 | K67-E86 VanDerWaalsContact NZ-CD 3.3Å; K67-E86 IonicContact NZ-OE1 2.9Å; K67-E86 PolarHBondContact NZ-OE1 3.04Å; K67-E86 IonicContact NZ-OE2 2.87Å; K67-E86 PolarHBondContact NZ-OE2 3.44Å; H82-E86 WeakPolarHBondContact O-CB 3.47Å; H82-E86 PolarHBondContact O-N 3.34Å; V83-E86 PolarHBondContact O-N 3.27Å; E86-S88 PolarHBondContact O-N 3.44Å; E86-I89 PolarHBondContact O-N 3.1Å; E86-L90 HydrophobicContact CG-CD1 3.73Å; E86-L90 WeakPolarHBondContact O-CB 3.34Å; E86-L90 WeakPolarHBondContact O-CD1 3.25Å; E86-L90 WeakPolarHBondContact O-CG 3.39Å; E86-L90 PolarHBondContact O-N 2.92Å; E86-M113 HydrophobicContact CG-CE 4.31Å; E86-F180 HydrophobicContact CG-CB 4.18Å |
| 87 | K | 96.1 | Very high | 95.4 | Very high | 37 Ų | 37 | 54 Ų | 54 | 16% | 0.161 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55.8 | -51.9 | 175.1 | 177.8 | -170.4 | 119.7 | 172.6 | 0 | 111.7 | V83 N85 I89 L90 M91 L101 T104 M113 E349 F350 | V83-K87 PolarHBondContact O-N 3.31Å; N85-K87 PolarHBondContact O-N 3.2Å; K87-I89 VanDerWaalsContact C-N 3.31Å; K87-I89 PolarHBondContact O-N 3.01Å; K87-L90 PolarHBondContact O-N 3.13Å; K87-M91 HydrophobicContact CD-SD 4.33Å; K87-M91 HydrophobicContact CG-CG 4.3Å; K87-M91 HydrophobicContact CG-SD 3.94Å; K87-M91 WeakPolarHBondContact O-CB 3.36Å; K87-M91 VanDerWaalsContact O-CG 3.3Å; K87-M91 WeakPolarHBondContact O-CG 3.48Å; K87-M91 PolarHBondContact O-N 3.37Å; K87-L101 HydrophobicContact CG-CD2 4.29Å; K87-T104 HydrophobicContact CD-CG2 4.01Å; K87-T104 HydrophobicContact CG-CG2 3.97Å; K87-M113 HydrophobicContact CB-CE 4.23Å; K87-E349 PolarHBondContact NZ-O 2.84Å; K87-E349 VanDerWaalsContact NZ-O 3.08Å; K87-F350 HydrophobicContact CB-CE2 4.07Å; K87-F350 HydrophobicContact CB-CZ 4.21Å; K87-F350 HydrophobicContact CD-CD2 3.94Å; K87-F350 HydrophobicContact CD-CE1 4.39Å; K87-F350 HydrophobicContact CD-CE2 3.72Å; K87-F350 HydrophobicContact CD-CG 4.35Å; K87-F350 HydrophobicContact CD-CZ 3.98Å; K87-F350 WeakPolarHBondContact CD-OXT 3.45Å; K87-F350 WeakPolarHBondContact CE-OXT 3.42Å; K87-F350 HydrophobicContact CG-CE2 4.44Å; K87-F350 HydrophobicContact CG-CZ 4.48Å; K87-F350 PolarHBondContact NZ-OXT 3.29Å |
| 88 | S | 96.4 | Very high | 95.6 | Very high | 57 Ų | 57 | 51.6 Ų | 51.6 | 40% | 0.399 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60 | -42.4 | -175.6 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | K84 N85 E86 Q92 | K84-S88 WeakPolarHBondContact O-CB 3.44Å; K84-S88 PolarHBondContact O-N 2.93Å; N85-S88 PolarHBondContact O-N 2.96Å; E86-S88 PolarHBondContact O-N 3.44Å; S88-Q92 WeakPolarHBondContact O-CG 3.18Å; S88-Q92 PolarHBondContact O-NE2 3.21Å |
| 89 | I | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63 | -58 | 175 | -76.1 | 171.5 | 0 | 0 | 0 | 109.6 | N85 E86 K87 M91 Q92 L93 I157 F180 A183 | N85-I89 WeakPolarHBondContact O-CB 3.42Å; N85-I89 WeakPolarHBondContact O-CG1 3.48Å; N85-I89 PolarHBondContact O-N 3.45Å; E86-I89 PolarHBondContact O-N 3.1Å; K87-I89 VanDerWaalsContact C-N 3.31Å; K87-I89 PolarHBondContact O-N 3.01Å; I89-M91 PolarHBondContact O-N 2.81Å; I89-M91 VanDerWaalsContact O-N 3.15Å; I89-Q92 WeakPolarHBondContact O-CB 3.46Å; I89-Q92 PolarHBondContact O-N 3.3Å; I89-L93 HydrophobicContact CG2-CD1 3.95Å; I89-L93 HydrophobicContact CG2-CG 4.36Å; I89-L93 WeakPolarHBondContact O-CG 3.49Å; I89-I157 HydrophobicContact CD1-CG2 4.4Å; I89-I157 HydrophobicContact CG2-CD1 4.14Å; I89-I157 HydrophobicContact CG2-CG2 4.19Å; I89-F180 HydrophobicContact CG2-CD1 3.97Å; I89-A183 HydrophobicContact CD1-CB 3.89Å; I89-A183 WeakPolarHBondContact CD1-O 3.43Å; I89-A183 HydrophobicContact CG2-CB 4.28Å |
| 90 | L | 97.3 | Very high | 96 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.9 | -35.2 | -175.6 | -77.3 | 164.1 | 0 | 0 | 0 | 113.5 | E86 K87 Q92 L93 V99 L101 M113 F115 F180 | E86-L90 HydrophobicContact CG-CD1 3.73Å; E86-L90 WeakPolarHBondContact O-CB 3.34Å; E86-L90 WeakPolarHBondContact O-CD1 3.25Å; E86-L90 WeakPolarHBondContact O-CG 3.39Å; E86-L90 PolarHBondContact O-N 2.92Å; K87-L90 PolarHBondContact O-N 3.13Å; L90-Q92 PolarHBondContact O-N 3.39Å; L90-L93 HydrophobicContact CD2-CD1 4.47Å; L90-L93 PolarHBondContact O-N 3.49Å; L90-V99 HydrophobicContact CD2-CG1 4.49Å; L90-L101 HydrophobicContact CB-CB 3.86Å; L90-L101 HydrophobicContact CB-CD2 3.69Å; L90-L101 HydrophobicContact CB-CG 4.44Å; L90-L101 HydrophobicContact CD1-CD2 4.21Å; L90-M113 HydrophobicContact CD1-CE 3.88Å; L90-F115 HydrophobicContact CD1-CE1 3.53Å; L90-F115 HydrophobicContact CD1-CZ 3.74Å; L90-F115 HydrophobicContact CD2-CE1 4.28Å; L90-F180 HydrophobicContact CD1-CB 4.31Å; L90-F180 HydrophobicContact CD2-CB 4.08Å; L90-F180 HydrophobicContact CD2-CD2 3.65Å; L90-F180 HydrophobicContact CD2-CE2 4.24Å; L90-F180 HydrophobicContact CD2-CG 3.82Å; L90-F180 HydrophobicContact CG-CB 3.98Å; L90-F180 HydrophobicContact CG-CD2 4.48Å; L90-F180 HydrophobicContact CG-CG 4.22Å |
| 91 | M | 94.9 | Very high | 96.2 | Very high | 101 Ų | 101 | 45.1 Ų | 45.1 | 50% | 0.498 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.9 | -21.8 | 177.4 | -76.8 | -173.9 | 66.3 | 0 | 0 | 114 | K87 I89 L101 | K87-M91 HydrophobicContact CD-SD 4.33Å; K87-M91 HydrophobicContact CG-CG 4.3Å; K87-M91 HydrophobicContact CG-SD 3.94Å; K87-M91 WeakPolarHBondContact O-CB 3.36Å; K87-M91 VanDerWaalsContact O-CG 3.3Å; K87-M91 WeakPolarHBondContact O-CG 3.48Å; K87-M91 PolarHBondContact O-N 3.37Å; I89-M91 PolarHBondContact O-N 2.81Å; I89-M91 VanDerWaalsContact O-N 3.15Å; M91-L101 HydrophobicContact CG-CD2 4.02Å |
| 92 | Q | 95.5 | Very high | 96.3 | Very high | 101 Ų | 101 | 41.2 Ų | 41.2 | 47% | 0.472 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -90 | -16.1 | 178.4 | -63.2 | 171.2 | 72 | 0 | 0 | 112.5 | S88 I89 L90 H185 | S88-Q92 WeakPolarHBondContact O-CG 3.18Å; S88-Q92 PolarHBondContact O-NE2 3.21Å; I89-Q92 WeakPolarHBondContact O-CB 3.46Å; I89-Q92 PolarHBondContact O-N 3.3Å; L90-Q92 PolarHBondContact O-N 3.39Å; Q92-H185 PolarHBondContact NE2-NE2 2.86Å |
| 93 | L | 97.7 | Very high | 96.6 | Very high | 16 Ų | 16 | 39.7 Ų | 39.7 | 8% | 0.084 | 20% | 0.196 | C | C | . | . | trans | -85.8 | 137 | -172.4 | -55.3 | -177.9 | 0 | 0 | 0 | 111.8 | I89 L90 I98 Y151 L152 L155 I157 F180 | I89-L93 HydrophobicContact CG2-CD1 3.95Å; I89-L93 HydrophobicContact CG2-CG 4.36Å; I89-L93 WeakPolarHBondContact O-CG 3.49Å; L90-L93 HydrophobicContact CD2-CD1 4.47Å; L90-L93 PolarHBondContact O-N 3.49Å; L93-I98 HydrophobicContact CB-CG2 4.48Å; L93-I98 HydrophobicContact CD1-CD1 4.42Å; L93-I98 HydrophobicContact CD1-CG2 4Å; L93-Y151 HydrophobicContact CB-CE1 4.28Å; L93-Y151 HydrophobicContact CD2-CE1 3.83Å; L93-L152 HydrophobicContact CD1-CD2 3.74Å; L93-L152 HydrophobicContact CD2-CD2 3.6Å; L93-L152 HydrophobicContact CG-CD2 4.33Å; L93-L155 HydrophobicContact CD2-CD1 3.93Å; L93-I157 HydrophobicContact CD2-CD1 3.78Å; L93-F180 HydrophobicContact CD1-CD1 3.89Å; L93-F180 HydrophobicContact CD1-CE1 3.5Å; L93-F180 VanDerWaalsContact CD1-CE1 3.5Å; L93-F180 HydrophobicContact CD1-CZ 3.97Å | ||
| 94 | N | 96.3 | Very high | 96.6 | Very high | 120 Ų | 120 | 40.5 Ų | 40.5 | 64% | 0.642 | 20% | 0.201 | S | C | * | . | trans | -148.9 | 90.3 | 170.6 | -175.8 | 44.9 | 0 | 0 | 0 | 109.6 | Y151 | N94-Y151 PolarHBondContact N-OH 2.76Š| ||
| 95 | H | 98.2 | Very high | 96.6 | Very high | 15 Ų | 15 | 37.6 Ų | 37.6 | 7% | 0.069 | 19% | 0.19 | C | C | . | . | trans | -140 | 142.2 | -176.6 | -167.3 | -95.2 | 0 | 0 | 0 | 110.2 | F97 I98 L147 Y151 F304 | H95-F97 AromaticContact CE1-CD2 3.56Å; H95-F97 PolarHBondContact ND1-N 3Å; H95-F97 PolarHBondContact O-N 3.5Å; H95-I98 HydrophobicContact CB-CB 4.15Å; H95-I98 HydrophobicContact CB-CD1 3.85Å; H95-I98 HydrophobicContact CB-CG1 3.98Å; H95-I98 PolarHBondContact O-N 3.42Å; H95-L147 PolarHBondContact NE2-O 3.39Å; H95-Y151 HydrophobicContact CB-CD1 3.67Å; H95-Y151 HydrophobicContact CB-CE1 3.81Å; H95-Y151 HydrophobicContact CB-CG 4.27Å; H95-Y151 AromaticContact CD2-CD1 3.89Å; H95-Y151 AromaticContact CD2-CG 3.62Å; H95-Y151 AromaticContact CG-CD1 3.91Å; H95-F304 AromaticContact CD2-CE2 3.74Å; H95-F304 AromaticContact NE2-CD2 3.76Å; H95-F304 AromaticContact NE2-CE2 3.5Å | ||
| 96 | P | 97.9 | Very high | 96.7 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 20% | 0.195 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -33.8 | -177.2 | 20 | -33.5 | 0 | 0 | 0 | 113.8 | K176 F304 R306 | P96-K176 WeakPolarHBondContact O-CD 3.49Å; P96-K176 WeakPolarHBondContact O-CE 3.35Å; P96-K176 PolarHBondContact O-NZ 2.99Å; P96-F304 HydrophobicContact CG-CD2 4.02Å; P96-F304 HydrophobicContact CG-CE2 3.97Å; P96-F304 HydrophobicContact CG-CZ 4.47Å; P96-R306 HydrophobicContact CB-CG 4.37Å |
| 97 | F | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 15.4 | -175.5 | -48.2 | -49.6 | 0 | 0 | 0 | 114.7 | H95 E144 L147 A148 H174 L175 K176 M177 V303 R306 | H95-F97 AromaticContact CE1-CD2 3.56Å; H95-F97 PolarHBondContact ND1-N 3Å; H95-F97 PolarHBondContact O-N 3.5Å; F97-E144 HydrophobicContact CD1-CB 4.15Å; F97-E144 HydrophobicContact CD1-CG 4.24Å; F97-E144 HydrophobicContact CD2-CB 3.84Å; F97-E144 HydrophobicContact CD2-CG 4.29Å; F97-E144 WeakPolarHBondContact CD2-O 3.48Å; F97-E144 HydrophobicContact CE1-CB 4.25Å; F97-E144 VanDerWaalsContact CE1-CD 3.49Å; F97-E144 HydrophobicContact CE1-CG 3.85Å; F97-E144 WeakPolarHBondContact CE1-OE1 3.46Å; F97-E144 HydrophobicContact CE2-CB 3.99Å; F97-E144 HydrophobicContact CE2-CG 3.95Å; F97-E144 HydrophobicContact CG-CB 3.95Å; F97-E144 HydrophobicContact CG-CG 4.45Å; F97-E144 HydrophobicContact CZ-CB 4.17Å; F97-E144 HydrophobicContact CZ-CG 3.69Å; F97-E144 WeakPolarHBondContact CZ-OE1 3.31Å; F97-L147 HydrophobicContact CD2-CB 4.29Å; F97-L147 HydrophobicContact CE2-CB 4.31Å; F97-L147 HydrophobicContact CE2-CD1 4.12Å; F97-A148 HydrophobicContact CB-CB 4.23Å; F97-H174 HydrophobicContact CE1-CB 4.43Å; F97-L175 VanDerWaalsContact CA-O 3.29Å; F97-L175 WeakPolarHBondContact CA-O 3.36Å; F97-L175 WeakPolarHBondContact CD1-O 3.49Å; F97-K176 WeakPolarHBondContact O-CA 3.43Å; F97-M177 PolarHBondContact O-N 3.03Å; F97-V303 HydrophobicContact CE2-CG1 3.95Å; F97-V303 HydrophobicContact CZ-CG1 3.98Å; F97-V303 VanDerWaalsContact CZ-O 3.26Å; F97-V303 WeakPolarHBondContact CZ-O 3.49Å; F97-R306 HydrophobicContact CE1-CG 3.84Å; F97-R306 HydrophobicContact CZ-CG 4.18Å |
| 98 | I | 98.6 | Very high | 96.5 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -119.5 | 136.8 | 174.6 | -62.4 | 178 | 0 | 0 | 0 | 107.9 | L93 H95 K100 A148 Y151 L152 F180 | L93-I98 HydrophobicContact CB-CG2 4.48Å; L93-I98 HydrophobicContact CD1-CD1 4.42Å; L93-I98 HydrophobicContact CD1-CG2 4Å; H95-I98 HydrophobicContact CB-CB 4.15Å; H95-I98 HydrophobicContact CB-CD1 3.85Å; H95-I98 HydrophobicContact CB-CG1 3.98Å; H95-I98 PolarHBondContact O-N 3.42Å; I98-K100 PolarHBondContact O-N 3.4Å; I98-A148 HydrophobicContact CD1-CB 4.4Å; I98-A148 HydrophobicContact CG1-CB 4.09Å; I98-Y151 HydrophobicContact CD1-CD1 3.81Å; I98-Y151 HydrophobicContact CD1-CE1 4.22Å; I98-L152 HydrophobicContact CD1-CD1 4.25Å; I98-L152 HydrophobicContact CD1-CD2 3.84Å; I98-L152 HydrophobicContact CD1-CG 3.92Å; I98-F180 HydrophobicContact CD1-CZ 4.31Å; I98-F180 HydrophobicContact CG1-CZ 4.38Å; I98-F180 HydrophobicContact CG2-CE1 4.47Å; I98-F180 HydrophobicContact CG2-CE2 3.74Å; I98-F180 HydrophobicContact CG2-CZ 3.53Å |
| 99 | V | 97.6 | Very high | 96.4 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | trans | -60.5 | 135.7 | 176.5 | 73.6 | 0 | 0 | 0 | 0 | 110.6 | L90 F115 E116 V118 M177 | L90-V99 HydrophobicContact CD2-CG1 4.49Å; V99-F115 HydrophobicContact CG1-CD1 4.02Å; V99-F115 HydrophobicContact CG1-CE1 4.3Å; V99-F115 HydrophobicContact CG2-CB 4.23Å; V99-F115 HydrophobicContact CG2-CD1 4.19Å; V99-E116 HydrophobicContact CG2-CB 3.96Å; V99-V118 HydrophobicContact CG2-CG2 4.29Å; V99-M177 WeakPolarHBondContact CG1-O 3.33Å; V99-M177 PolarHBondContact N-O 2.89Å | ||
| 100 | K | 97.2 | Very high | 96.3 | Very high | 90 Ų | 90 | 41.4 Ų | 41.4 | 39% | 0.391 | 21% | 0.208 | S | C | . | . | trans | -88.2 | 130.7 | 179.8 | -170.8 | 160.5 | -180 | 168.9 | 0 | 112.1 | I98 Y102 F115 E116 | I98-K100 PolarHBondContact O-N 3.4Å; K100-Y102 HydrophobicContact CB-CE1 4.47Å; K100-Y102 HydrophobicContact CB-CE2 4.31Å; K100-Y102 HydrophobicContact CD-CD1 4.24Å; K100-Y102 HydrophobicContact CD-CE1 3.55Å; K100-Y102 HydrophobicContact CG-CD1 4.19Å; K100-Y102 HydrophobicContact CG-CE1 3.87Å; K100-Y102 HydrophobicContact CG-CE2 4.49Å; K100-F115 CarbonylContact O-C 3.56Å; K100-F115 VanDerWaalsContact O-CA 3.31Å; K100-F115 WeakPolarHBondContact O-CA 3.17Å; K100-E116 HydrophobicContact CB-CB 4.21Å; K100-E116 PolarHBondContact N-OE2 3.2Å; K100-E116 PolarHBondContact O-N 2.92Å | ||
| 101 | L | 97.2 | Very high | 96.3 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 7% | 0.068 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 112.9 | 166.6 | 179.2 | 63 | 0 | 0 | 0 | 109.9 | K87 L90 M91 T104 M113 F115 | K87-L101 HydrophobicContact CG-CD2 4.29Å; L90-L101 HydrophobicContact CB-CB 3.86Å; L90-L101 HydrophobicContact CB-CD2 3.69Å; L90-L101 HydrophobicContact CB-CG 4.44Å; L90-L101 HydrophobicContact CD1-CD2 4.21Å; M91-L101 HydrophobicContact CG-CD2 4.02Å; L101-T104 HydrophobicContact CD1-CG2 4.03Å; L101-T104 HydrophobicContact CD2-CG2 3.96Å; L101-T104 HydrophobicContact CG-CG2 4.31Å; L101-M113 HydrophobicContact CD1-CB 3.88Å; L101-M113 HydrophobicContact CD1-CE 4.1Å; L101-M113 HydrophobicContact CD2-CE 3.9Å; L101-F115 HydrophobicContact CB-CD1 4.34Å; L101-F115 HydrophobicContact CB-CE1 4.22Å; L101-F115 HydrophobicContact CD1-CD1 4.22Å; L101-F115 HydrophobicContact CD1-CD2 4.43Å; L101-F115 HydrophobicContact CD1-CE1 4.02Å; L101-F115 HydrophobicContact CD1-CE2 4.22Å; L101-F115 HydrophobicContact CD1-CG 4.44Å; L101-F115 HydrophobicContact CD1-CZ 4.01Å |
| 102 | Y | 95.5 | Very high | 96.4 | Very high | 47 Ų | 47 | 37.6 Ų | 37.6 | 18% | 0.184 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -39.6 | -176.4 | -74.6 | -63.5 | 0 | 0 | 0 | 113.5 | F28 K30 Y64 K100 L114 E116 | F28-Y102 HydrophobicContact CB-CD1 3.46Å; F28-Y102 VanDerWaalsContact CB-CD1 3.46Å; F28-Y102 HydrophobicContact CB-CE1 3.7Å; F28-Y102 HydrophobicContact CB-CG 4.26Å; F28-Y102 AromaticContact CD1-CD1 3.78Å; F28-Y102 HydrophobicContact CD1-CD1 3.78Å; F28-Y102 HydrophobicContact CD1-CG 4.13Å; F28-Y102 HydrophobicContact CD2-CD1 4.18Å; F28-Y102 HydrophobicContact CD2-CG 4.16Å; F28-Y102 VanDerWaalsContact CE1-O 3.26Å; F28-Y102 WeakPolarHBondContact CE1-O 3.4Å; F28-Y102 AromaticContact CG-CD1 3.53Å; F28-Y102 HydrophobicContact CG-CD1 3.53Å; F28-Y102 HydrophobicContact CG-CE1 4.26Å; F28-Y102 AromaticContact CG-CG 3.92Å; F28-Y102 HydrophobicContact CG-CG 3.92Å; K30-Y102 WeakPolarHBondContact CE-O 3.43Å; K30-Y102 WeakPolarHBondContact CG-O 3.31Å; Y64-Y102 AromaticContact CD1-CD2 3.79Å; Y64-Y102 HydrophobicContact CD1-CD2 3.79Å; Y64-Y102 HydrophobicContact CD1-CE2 4.1Å; Y64-Y102 AromaticContact CE1-CD2 3.83Å; Y64-Y102 HydrophobicContact CE1-CD2 3.83Å; Y64-Y102 AromaticContact CE1-CE2 3.98Å; Y64-Y102 HydrophobicContact CE1-CE2 3.98Å; Y64-Y102 HydrophobicContact CE1-CG 4.43Å; K100-Y102 HydrophobicContact CB-CE1 4.47Å; K100-Y102 HydrophobicContact CB-CE2 4.31Å; K100-Y102 HydrophobicContact CD-CD1 4.24Å; K100-Y102 HydrophobicContact CD-CE1 3.55Å; K100-Y102 HydrophobicContact CG-CD1 4.19Å; K100-Y102 HydrophobicContact CG-CE1 3.87Å; K100-Y102 HydrophobicContact CG-CE2 4.49Å; Y102-L114 WeakPolarHBondContact CB-O 3.49Å; Y102-L114 PolarHBondContact N-O 2.83Å; Y102-E116 HydrophobicContact CE2-CB 3.79Å |
| 103 | W | 96 | Very high | 96.4 | Very high | 60 Ų | 60 | 32.8 Ų | 32.8 | 23% | 0.227 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 152.4 | -173.9 | 178.9 | 90.8 | 0 | 0 | 0 | 111.3 | F28 F33 Y112 L114 | F28-W103 HydrophobicContact CE1-CB 4.09Å; F28-W103 HydrophobicContact CZ-CB 3.9Å; F33-W103 HydrophobicContact CD1-CB 4.24Å; F33-W103 AromaticContact CD1-CD1 3.94Å; F33-W103 AromaticContact CD1-CD2 3.62Å; F33-W103 HydrophobicContact CD1-CD2 3.62Å; F33-W103 AromaticContact CD1-CE2 3.88Å; F33-W103 HydrophobicContact CD1-CE3 4.07Å; F33-W103 AromaticContact CD1-CG 3.69Å; F33-W103 HydrophobicContact CD1-CG 3.69Å; F33-W103 AromaticContact CE1-CD2 3.63Å; F33-W103 HydrophobicContact CE1-CD2 3.63Å; F33-W103 AromaticContact CE1-CE3 3.56Å; F33-W103 HydrophobicContact CE1-CE3 3.56Å; F33-W103 HydrophobicContact CE1-CG 4.08Å; F33-W103 HydrophobicContact CE1-CH2 4.41Å; F33-W103 HydrophobicContact CE1-CZ2 4.48Å; F33-W103 AromaticContact CE1-CZ3 3.96Å; F33-W103 HydrophobicContact CE1-CZ3 3.96Å; W103-Y112 HydrophobicContact CZ3-CG 4.49Å; W103-L114 HydrophobicContact CB-CB 3.96Å; W103-L114 HydrophobicContact CB-CD2 4.16Å; W103-L114 HydrophobicContact CE3-CB 4.28Å; W103-L114 PolarHBondContact N-O 3.43Å; W103-L114 PolarHBondContact O-N 2.91Å |
| 104 | T | 96.1 | Very high | 96.4 | Very high | 25 Ų | 25 | 32 Ų | 32 | 15% | 0.153 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 154.8 | 170.2 | 56.9 | 0 | 0 | 0 | 0 | 110.1 | K87 L101 Y112 M113 F350 | K87-T104 HydrophobicContact CD-CG2 4.01Å; K87-T104 HydrophobicContact CG-CG2 3.97Å; L101-T104 HydrophobicContact CD1-CG2 4.03Å; L101-T104 HydrophobicContact CD2-CG2 3.96Å; L101-T104 HydrophobicContact CG-CG2 4.31Å; T104-Y112 VanDerWaalsContact CA-O 3.24Å; T104-Y112 WeakPolarHBondContact CA-O 3.26Å; T104-M113 HydrophobicContact CG2-CB 4.35Å; T104-M113 HydrophobicContact CG2-CG 3.94Å; T104-F350 WeakPolarHBondContact CB-OXT 3.22Å; T104-F350 HydrophobicContact CG2-CE1 4.1Å; T104-F350 PolarHBondContact OG1-OXT 3.27Å |
| 105 | G | 94.7 | Very high | 96.5 | Very high | 8 Ų | 8 | 27 Ų | 27 | 8% | 0.082 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.1 | -176 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y112 | G105-Y112 PolarHBondContact N-O 3.22Å; G105-Y112 PolarHBondContact O-N 2.95Å |
| 106 | H | 95.1 | Very high | 96.4 | Very high | 72 Ų | 72 | 28.2 Ų | 28.2 | 33% | 0.333 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 161 | -178.6 | 65.5 | 94.9 | 0 | 0 | 0 | 111.3 | F110 L111 F347 K348 | H106-F110 CarbonylContact C-O 3.48Å; H106-F110 WeakPolarHBondContact CA-O 3.41Å; H106-F110 WeakPolarHBondContact CB-O 3.42Å; H106-L111 HydrophobicContact CB-CD2 3.53Å; H106-F347 PolarHBondContact CD2-O 2.95Å; H106-F347 PolarHBondContact NE2-O 3.3Å; H106-F347 VanDerWaalsContact NE2-O 3.09Å; H106-K348 PolarHBondContact NE2-O 2.64Å; H106-K348 VanDerWaalsContact NE2-O 3.16Å |
| 107 | D | 93.7 | Very high | 96.4 | Very high | 68 Ų | 68 | 28 Ų | 28 | 36% | 0.364 | 14% | 0.135 | S | C | . | . | trans | -130.7 | -159 | 168.8 | 77.8 | -1 | 0 | 0 | 0 | 110.9 | K109 F110 Y112 | D107-K109 PolarHBondContact O-N 3.26Å; D107-K109 WeakPolarHBondContact OD1-CA 3.33Å; D107-K109 PolarHBondContact OD1-N 3.25Å; D107-F110 PolarHBondContact N-O 2.82Å; D107-F110 PolarHBondContact OD1-N 2.71Å; D107-Y112 HydrophobicContact CB-CE2 4.15Å; D107-Y112 PolarHBondContact OD2-OH 3.01Å | ||
| 108 | A | 94.4 | Very high | 96.3 | Very high | 34 Ų | 34 | 28.2 Ų | 28.2 | 28% | 0.281 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -72.4 | -8.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L338 S339 | A108-L338 HydrophobicContact CB-CD2 3.68Å; A108-S339 PolarHBondContact O-N 2.88Å; A108-S339 PolarHBondContact O-OG 2.74Å |
| 109 | K | 94.7 | Very high | 96.2 | Very high | 43 Ų | 43 | 28.4 Ų | 28.4 | 19% | 0.187 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -127.7 | -38.4 | -174.3 | -63.1 | -175.2 | -179.1 | -163.7 | 0 | 112.4 | I71 D107 S334 I336 L338 | I71-K109 WeakPolarHBondContact CB-O 3.48Å; I71-K109 PolarHBondContact N-O 3.37Å; D107-K109 PolarHBondContact O-N 3.26Å; D107-K109 WeakPolarHBondContact OD1-CA 3.33Å; D107-K109 PolarHBondContact OD1-N 3.25Å; K109-S334 PolarHBondContact NZ-O 3.05Å; K109-I336 WeakPolarHBondContact CD-O 3.37Å; K109-I336 WeakPolarHBondContact CE-O 3.2Å; K109-I336 PolarHBondContact NZ-O 2.92Å; K109-L338 HydrophobicContact CD-CD2 4.47Å; K109-L338 HydrophobicContact CG-CD2 3.83Å |
| 110 | F | 95.7 | Very high | 96.1 | Very high | 11 Ų | 11 | 28.1 Ų | 28.1 | 5% | 0.048 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 149.9 | -163.1 | -54 | -68.6 | 0 | 0 | 0 | 113.2 | V68 L69 V70 H106 D107 Y112 W333 I336 | V68-F110 HydrophobicContact CG1-CB 3.92Å; V68-F110 HydrophobicContact CG1-CD1 3.79Å; V68-F110 HydrophobicContact CG1-CE1 4.48Å; V68-F110 HydrophobicContact CG1-CG 3.83Å; L69-F110 CarbonylContact O-C 3.58Å; L69-F110 WeakPolarHBondContact O-CA 3.29Å; V70-F110 HydrophobicContact CG2-CD1 4.27Å; V70-F110 HydrophobicContact CG2-CE1 4.06Å; H106-F110 CarbonylContact C-O 3.48Å; H106-F110 WeakPolarHBondContact CA-O 3.41Å; H106-F110 WeakPolarHBondContact CB-O 3.42Å; D107-F110 PolarHBondContact N-O 2.82Å; D107-F110 PolarHBondContact OD1-N 2.71Å; F110-Y112 HydrophobicContact CB-CE1 3.97Å; F110-Y112 HydrophobicContact CB-CE2 3.94Å; F110-Y112 WeakPolarHBondContact CD2-OH 3.31Å; F110-W333 HydrophobicContact CD1-CE3 4.39Å; F110-W333 HydrophobicContact CD1-CZ3 4.24Å; F110-W333 AromaticContact CE1-CE3 3.63Å; F110-W333 HydrophobicContact CE1-CE3 3.63Å; F110-W333 AromaticContact CE1-CZ3 3.77Å; F110-W333 HydrophobicContact CE1-CZ3 3.77Å; F110-W333 HydrophobicContact CE2-CE3 4.2Å; F110-W333 AromaticContact CZ-CE3 3.53Å; F110-W333 HydrophobicContact CZ-CE3 3.53Å; F110-W333 HydrophobicContact CZ-CZ3 4.16Å; F110-I336 HydrophobicContact CE1-CB 4.21Å; F110-I336 HydrophobicContact CE1-CD1 3.71Å; F110-I336 HydrophobicContact CE1-CG1 4.46Å; F110-I336 HydrophobicContact CE1-CG2 3.86Å; F110-I336 HydrophobicContact CZ-CB 3.86Å; F110-I336 HydrophobicContact CZ-CD1 3.99Å; F110-I336 HydrophobicContact CZ-CG1 4.33Å; F110-I336 HydrophobicContact CZ-CG2 3.9Å |
| 111 | L | 96.2 | Very high | 96 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 147.2 | 157.3 | -68.1 | 168.2 | 0 | 0 | 0 | 109.4 | V68 L69 I71 L74 V83 H106 F347 F350 | V68-L111 WeakPolarHBondContact CA-O 3.41Å; L69-L111 HydrophobicContact CB-CB 4.25Å; L69-L111 PolarHBondContact N-O 3.15Å; L69-L111 PolarHBondContact O-N 3.15Å; I71-L111 HydrophobicContact CD1-CG 4.47Å; I71-L111 HydrophobicContact CG1-CD2 4.5Å; I71-L111 HydrophobicContact CG1-CG 3.87Å; L74-L111 HydrophobicContact CD1-CD1 3.46Å; L74-L111 VanDerWaalsContact CD1-CD1 3.46Å; L74-L111 HydrophobicContact CD1-CG 4.5Å; V83-L111 HydrophobicContact CG1-CD1 4.23Å; H106-L111 HydrophobicContact CB-CD2 3.53Å; L111-F347 HydrophobicContact CD1-CD1 3.42Å; L111-F347 VanDerWaalsContact CD1-CD1 3.42Å; L111-F347 HydrophobicContact CD1-CD2 4.03Å; L111-F347 HydrophobicContact CD1-CE1 3.34Å; L111-F347 HydrophobicContact CD1-CE2 3.95Å; L111-F347 HydrophobicContact CD1-CG 3.76Å; L111-F347 HydrophobicContact CD1-CZ 3.6Å; L111-F347 HydrophobicContact CD2-CB 3.57Å; L111-F347 HydrophobicContact CD2-CD1 3.79Å; L111-F347 HydrophobicContact CD2-CD2 4.33Å; L111-F347 HydrophobicContact CD2-CG 3.64Å; L111-F347 HydrophobicContact CG-CD1 4.18Å; L111-F347 HydrophobicContact CG-CD2 4.44Å; L111-F347 HydrophobicContact CG-CG 4.13Å; L111-F350 HydrophobicContact CB-CD1 4.38Å; L111-F350 HydrophobicContact CB-CE1 4.16Å; L111-F350 HydrophobicContact CD2-CB 3.79Å; L111-F350 HydrophobicContact CD2-CD1 3.42Å; L111-F350 VanDerWaalsContact CD2-CD1 3.42Å; L111-F350 HydrophobicContact CD2-CD2 4.16Å; L111-F350 HydrophobicContact CD2-CE1 4Å; L111-F350 HydrophobicContact CD2-CG 3.5Å; L111-F350 VanDerWaalsContact CD2-CG 3.5Å; L111-F350 HydrophobicContact CG-CD1 4.35Å; L111-F350 HydrophobicContact CG-CE1 4.48Å |
| 112 | Y | 96.6 | Very high | 96 | Very high | 26 Ų | 26 | 25.2 Ų | 25.2 | 10% | 0.102 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 134.7 | -178.1 | -58.7 | -75.9 | 0 | 0 | 0 | 110.3 | L35 L66 K67 V68 W103 T104 G105 D107 F110 | L35-Y112 HydrophobicContact CD2-CD1 4Å; L35-Y112 HydrophobicContact CD2-CD2 3.79Å; L35-Y112 HydrophobicContact CD2-CE1 3.94Å; L35-Y112 HydrophobicContact CD2-CE2 3.73Å; L35-Y112 HydrophobicContact CD2-CG 3.92Å; L66-Y112 HydrophobicContact CD1-CD1 4.23Å; L66-Y112 HydrophobicContact CD2-CD1 4.12Å; L66-Y112 HydrophobicContact CG-CD1 4.33Å; K67-Y112 WeakPolarHBondContact O-CA 3.41Å; V68-Y112 HydrophobicContact CB-CD1 4.49Å; V68-Y112 HydrophobicContact CB-CE1 4.49Å; V68-Y112 HydrophobicContact CG1-CD1 4.18Å; V68-Y112 HydrophobicContact CG1-CE1 3.79Å; V68-Y112 HydrophobicContact CG2-CD1 4.04Å; V68-Y112 HydrophobicContact CG2-CE1 4.11Å; W103-Y112 HydrophobicContact CZ3-CG 4.49Å; T104-Y112 VanDerWaalsContact CA-O 3.24Å; T104-Y112 WeakPolarHBondContact CA-O 3.26Å; G105-Y112 PolarHBondContact N-O 3.22Å; G105-Y112 PolarHBondContact O-N 2.95Å; D107-Y112 HydrophobicContact CB-CE2 4.15Å; D107-Y112 PolarHBondContact OD2-OH 3.01Å; F110-Y112 HydrophobicContact CB-CE1 3.97Å; F110-Y112 HydrophobicContact CB-CE2 3.94Å; F110-Y112 WeakPolarHBondContact CD2-OH 3.31Å |
| 113 | M | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 119 | 169.6 | -58.9 | 174.4 | 71.7 | 0 | 0 | 108.6 | K67 L69 E86 K87 L90 L101 T104 F115 F350 | K67-M113 HydrophobicContact CB-CB 4.24Å; K67-M113 HydrophobicContact CD-SD 4.4Å; K67-M113 PolarHBondContact N-O 2.97Å; K67-M113 PolarHBondContact O-N 3.38Å; L69-M113 HydrophobicContact CD1-SD 4.48Å; E86-M113 HydrophobicContact CG-CE 4.31Å; K87-M113 HydrophobicContact CB-CE 4.23Å; L90-M113 HydrophobicContact CD1-CE 3.88Å; L101-M113 HydrophobicContact CD1-CB 3.88Å; L101-M113 HydrophobicContact CD1-CE 4.1Å; L101-M113 HydrophobicContact CD2-CE 3.9Å; T104-M113 HydrophobicContact CG2-CB 4.35Å; T104-M113 HydrophobicContact CG2-CG 3.94Å; M113-F115 HydrophobicContact CB-CD2 4.14Å; M113-F115 HydrophobicContact CB-CE2 3.45Å; M113-F115 VanDerWaalsContact CB-CE2 3.45Å; M113-F115 HydrophobicContact CB-CZ 4.12Å; M113-F115 HydrophobicContact CE-CE2 4.21Å; M113-F115 HydrophobicContact CE-CZ 3.7Å; M113-F115 WeakPolarHBondContact O-CD2 3.28Å; M113-F115 HydrophobicContact SD-CE2 4.46Å; M113-F115 HydrophobicContact SD-CZ 4.44Å; M113-F350 HydrophobicContact CG-CE1 3.89Å; M113-F350 HydrophobicContact CG-CZ 3.91Å; M113-F350 HydrophobicContact SD-CZ 4.05Å |
| 114 | L | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 112.9 | -178.3 | -169.7 | 80.8 | 0 | 0 | 0 | 109.8 | F28 F33 V55 Y64 L66 Y102 W103 | F28-L114 HydrophobicContact CE2-CD2 3.58Å; F28-L114 HydrophobicContact CZ-CD2 3.7Å; F33-L114 HydrophobicContact CD1-CD2 4.44Å; F33-L114 HydrophobicContact CD2-CD2 3.86Å; F33-L114 HydrophobicContact CE1-CD2 4.07Å; F33-L114 HydrophobicContact CE2-CD1 4.13Å; F33-L114 HydrophobicContact CE2-CD2 3.43Å; F33-L114 VanDerWaalsContact CE2-CD2 3.43Å; F33-L114 HydrophobicContact CE2-CG 4.41Å; F33-L114 HydrophobicContact CG-CD2 4.34Å; F33-L114 HydrophobicContact CZ-CD1 3.81Å; F33-L114 HydrophobicContact CZ-CD2 3.55Å; F33-L114 HydrophobicContact CZ-CG 4.21Å; V55-L114 HydrophobicContact CG2-CD1 3.94Å; Y64-L114 HydrophobicContact CD1-CD2 4.22Å; Y64-L114 HydrophobicContact CD1-CG 4.32Å; Y64-L114 HydrophobicContact CD2-CD1 4.38Å; Y64-L114 HydrophobicContact CD2-CD2 4.27Å; Y64-L114 HydrophobicContact CG-CD1 4Å; Y64-L114 HydrophobicContact CG-CD2 4.03Å; Y64-L114 HydrophobicContact CG-CG 4.01Å; L66-L114 HydrophobicContact CB-CD1 4.45Å; L66-L114 HydrophobicContact CD1-CB 4.44Å; L66-L114 HydrophobicContact CD1-CD1 3.99Å; Y102-L114 WeakPolarHBondContact CB-O 3.49Å; Y102-L114 PolarHBondContact N-O 2.83Å; W103-L114 HydrophobicContact CB-CB 3.96Å; W103-L114 HydrophobicContact CB-CD2 4.16Å; W103-L114 HydrophobicContact CE3-CB 4.28Å; W103-L114 PolarHBondContact N-O 3.43Å; W103-L114 PolarHBondContact O-N 2.91Å |
| 115 | F | 97.4 | Very high | 96.1 | Very high | 14 Ų | 14 | 22 Ų | 22 | 6% | 0.061 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 159.9 | -178.5 | -68.3 | -90.4 | 0 | 0 | 0 | 112.3 | Y64 A65 K67 L90 V99 K100 L101 M113 Y117 | Y64-F115 WeakPolarHBondContact CA-O 3.48Å; Y64-F115 WeakPolarHBondContact CB-O 3.17Å; A65-F115 HydrophobicContact CB-CB 4.22Å; A65-F115 PolarHBondContact N-O 3.43Å; A65-F115 PolarHBondContact O-N 3.29Å; K67-F115 HydrophobicContact CB-CD2 4.24Å; K67-F115 HydrophobicContact CB-CE2 3.87Å; K67-F115 HydrophobicContact CD-CE2 4.05Å; L90-F115 HydrophobicContact CD1-CE1 3.53Å; L90-F115 HydrophobicContact CD1-CZ 3.74Å; L90-F115 HydrophobicContact CD2-CE1 4.28Å; V99-F115 HydrophobicContact CG1-CD1 4.02Å; V99-F115 HydrophobicContact CG1-CE1 4.3Å; V99-F115 HydrophobicContact CG2-CB 4.23Å; V99-F115 HydrophobicContact CG2-CD1 4.19Å; K100-F115 CarbonylContact O-C 3.56Å; K100-F115 VanDerWaalsContact O-CA 3.31Å; K100-F115 WeakPolarHBondContact O-CA 3.17Å; L101-F115 HydrophobicContact CB-CD1 4.34Å; L101-F115 HydrophobicContact CB-CE1 4.22Å; L101-F115 HydrophobicContact CD1-CD1 4.22Å; L101-F115 HydrophobicContact CD1-CD2 4.43Å; L101-F115 HydrophobicContact CD1-CE1 4.02Å; L101-F115 HydrophobicContact CD1-CE2 4.22Å; L101-F115 HydrophobicContact CD1-CG 4.44Å; L101-F115 HydrophobicContact CD1-CZ 4.01Å; M113-F115 HydrophobicContact CB-CD2 4.14Å; M113-F115 HydrophobicContact CB-CE2 3.45Å; M113-F115 VanDerWaalsContact CB-CE2 3.45Å; M113-F115 HydrophobicContact CB-CZ 4.12Å; M113-F115 HydrophobicContact CE-CE2 4.21Å; M113-F115 HydrophobicContact CE-CZ 3.7Å; M113-F115 WeakPolarHBondContact O-CD2 3.28Å; M113-F115 HydrophobicContact SD-CE2 4.46Å; M113-F115 HydrophobicContact SD-CZ 4.44Å; F115-Y117 PolarHBondContact O-N 2.9Å |
| 116 | E | 96.5 | Very high | 96.2 | Very high | 41 Ų | 41 | 22.9 Ų | 22.9 | 19% | 0.192 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.9 | 128.6 | 157.2 | 179.2 | 178.9 | -161.2 | 0 | 0 | 110.3 | V99 K100 Y102 V118 K176 | V99-E116 HydrophobicContact CG2-CB 3.96Å; K100-E116 HydrophobicContact CB-CB 4.21Å; K100-E116 PolarHBondContact N-OE2 3.2Å; K100-E116 PolarHBondContact O-N 2.92Å; Y102-E116 HydrophobicContact CE2-CB 3.79Å; E116-V118 HydrophobicContact CG-CG2 4.34Å; E116-K176 WeakPolarHBondContact OE1-CE 3.35Å; E116-K176 IonicContact OE1-NZ 3.1Å; E116-K176 PolarHBondContact OE1-NZ 2.94Å; E116-K176 WeakPolarHBondContact OE2-CE 3.18Å; E116-K176 IonicContact OE2-NZ 3.56Å; E116-K176 PolarHBondContact OE2-NZ 2.88Å |
| 117 | Y | 97.4 | Very high | 96.3 | Very high | 25 Ų | 25 | 19.7 Ų | 19.7 | 10% | 0.098 | 10% | 0.096 | C | C | . | . | trans | -81.8 | 125.8 | 171.5 | 178.9 | -133.7 | 0 | 0 | 0 | 110 | I44 V54 A65 F115 C119 D319 D321 Y325 | I44-Y117 HydrophobicContact CD1-CD2 4.22Å; I44-Y117 HydrophobicContact CD1-CE2 3.92Å; V54-Y117 HydrophobicContact CG1-CD1 4.2Å; V54-Y117 HydrophobicContact CG1-CE1 4.1Å; V54-Y117 HydrophobicContact CG1-CE2 4.46Å; V54-Y117 HydrophobicContact CG1-CG 4.42Å; V54-Y117 HydrophobicContact CG2-CD2 3.76Å; V54-Y117 HydrophobicContact CG2-CE1 4.33Å; V54-Y117 HydrophobicContact CG2-CE2 3.35Å; V54-Y117 HydrophobicContact CG2-CG 4.45Å; A65-Y117 HydrophobicContact CB-CD2 4.42Å; F115-Y117 PolarHBondContact O-N 2.9Å; Y117-C119 HydrophobicContact CD1-CB 4.19Å; Y117-C119 HydrophobicContact CE1-CB 3.55Å; Y117-D319 WeakPolarHBondContact CD1-O 3.48Å; Y117-D319 WeakPolarHBondContact CE1-O 3.31Å; Y117-D321 PolarHBondContact OH-O 3.42Å; Y117-Y325 HydrophobicContact CE2-CD2 4.47Å; Y117-Y325 AromaticContact CE2-CE2 3.7Å; Y117-Y325 HydrophobicContact CE2-CE2 3.7Å | ||
| 118 | V | 97.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.024 | 11% | 0.105 | C | C | . | . | trans | -112.1 | 86.3 | -177 | -175.2 | 0 | 0 | 0 | 0 | 109 | V99 E116 G120 L168 L169 D170 K176 Y325 | V99-V118 HydrophobicContact CG2-CG2 4.29Å; E116-V118 HydrophobicContact CG-CG2 4.34Å; V118-G120 VanDerWaalsContact C-N 3.3Å; V118-G120 PolarHBondContact O-N 2.8Å; V118-G120 VanDerWaalsContact O-N 3.17Å; V118-L168 HydrophobicContact CB-CB 4.12Å; V118-L168 HydrophobicContact CB-CD1 4.02Å; V118-L168 HydrophobicContact CG1-CB 3.52Å; V118-L168 HydrophobicContact CG1-CD1 4.35Å; V118-L169 WeakPolarHBondContact CG1-O 3.37Å; V118-D170 HydrophobicContact CG1-CB 4.29Å; V118-K176 HydrophobicContact CG1-CB 4.02Å; V118-K176 HydrophobicContact CG1-CG 4.01Å; V118-K176 HydrophobicContact CG2-CB 3.95Å; V118-K176 HydrophobicContact CG2-CG 3.9Å; V118-Y325 PolarHBondContact O-OH 3.24Å | ||
| 119 | C | 95.8 | Very high | 96.5 | Very high | 9 Ų | 9 | 27.7 Ų | 27.7 | 6% | 0.061 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -15.7 | -163.2 | 57.4 | 0 | 0 | 0 | 0 | 116.8 | Y117 G121 V316 C324 | Y117-C119 HydrophobicContact CD1-CB 4.19Å; Y117-C119 HydrophobicContact CE1-CB 3.55Å; C119-G121 VanDerWaalsContact C-N 3.26Å; C119-G121 PolarHBondContact O-N 2.86Å; C119-V316 HydrophobicContact CB-CG1 3.99Å; C119-V316 HydrophobicContact CB-CG2 4.34Å; C119-C324 WeakPolarHBondContact O-CB 3.38Å |
| 120 | G | 96.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -4.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V118 Y126 L169 C324 | V118-G120 VanDerWaalsContact C-N 3.3Å; V118-G120 PolarHBondContact O-N 2.8Å; V118-G120 VanDerWaalsContact O-N 3.17Å; G120-Y126 WeakPolarHBondContact O-CE2 3.38Å; G120-Y126 PolarHBondContact O-OH 3.06Å; G120-L169 WeakPolarHBondContact CA-O 3.19Å; G120-L169 PolarHBondContact N-O 3.46Å; G120-C324 VanDerWaalsContact C-CB 3.49Å; G120-C324 WeakPolarHBondContact O-CB 3.11Å |
| 121 | G | 95.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | 67.3 | -163.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | C119 L168 L169 | C119-G121 VanDerWaalsContact C-N 3.26Å; C119-G121 PolarHBondContact O-N 2.86Å; G121-L168 CarbonylContact O-C 3.46Å; G121-L168 WeakPolarHBondContact O-CA 3.43Å; G121-L169 PolarHBondContact O-N 3.32Å | ||
| 122 | E | 96.3 | Very high | 96.6 | Very high | 43 Ų | 43 | 35.3 Ų | 35.3 | 20% | 0.201 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -70.6 | 131.4 | -174.3 | -63.7 | 166.6 | -162.9 | 0 | 0 | 112.4 | F124 K125 Y126 R128 L168 | E122-F124 PolarHBondContact O-N 3.05Å; E122-K125 HydrophobicContact CB-CB 4.42Å; E122-K125 VanDerWaalsContact O-CB 3.3Å; E122-K125 WeakPolarHBondContact O-CB 3.47Å; E122-K125 PolarHBondContact O-N 3.12Å; E122-K125 VanDerWaalsContact O-N 3.09Å; E122-Y126 WeakPolarHBondContact O-CD2 3.19Å; E122-R128 IonicContact OE2-NH1 2.72Å; E122-R128 IonicContact OE2-NH2 2.87Å; E122-R128 PolarHBondContact OE2-NH2 3.32Å; E122-R128 VanDerWaalsContact OE2-NH2 3.1Å; E122-L168 HydrophobicContact CG-CD2 3.99Å |
| 123 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.2 | -38.8 | 171.3 | 171.9 | 60.5 | 0 | 0 | 0 | 111.4 | K125 Y126 L127 F133 Y141 L167 L169 L175 M226 I312 | L123-K125 VanDerWaalsContact C-N 3.26Å; L123-K125 PolarHBondContact O-N 3.18Å; L123-Y126 WeakPolarHBondContact O-CB 3.47Å; L123-Y126 PolarHBondContact O-N 3.08Å; L123-Y126 VanDerWaalsContact O-N 3.1Å; L123-L127 PolarHBondContact O-N 3.44Å; L123-F133 HydrophobicContact CD1-CE2 3.68Å; L123-F133 HydrophobicContact CD1-CZ 3.83Å; L123-F133 HydrophobicContact CG-CE2 4.05Å; L123-F133 HydrophobicContact CG-CZ 4.44Å; L123-Y141 HydrophobicContact CD1-CD1 4.4Å; L123-Y141 HydrophobicContact CD1-CD2 3.68Å; L123-Y141 HydrophobicContact CD1-CE1 4.25Å; L123-Y141 HydrophobicContact CD1-CE2 3.49Å; L123-Y141 VanDerWaalsContact CD1-CE2 3.49Å; L123-Y141 HydrophobicContact CD1-CG 4.15Å; L123-Y141 HydrophobicContact CD2-CD1 4.24Å; L123-Y141 HydrophobicContact CD2-CD2 3.99Å; L123-Y141 HydrophobicContact CD2-CG 3.8Å; L123-L167 HydrophobicContact CB-CB 4.35Å; L123-L167 WeakPolarHBondContact CB-O 3.35Å; L123-L167 PolarHBondContact N-O 2.97Å; L123-L169 HydrophobicContact CB-CD2 4.35Å; L123-L169 HydrophobicContact CB-CG 4.32Å; L123-L169 HydrophobicContact CD1-CD1 4.06Å; L123-L169 HydrophobicContact CD1-CD2 4.16Å; L123-L169 HydrophobicContact CD1-CG 4.34Å; L123-L175 HydrophobicContact CD2-CD1 4.04Å; L123-M226 HydrophobicContact CD2-SD 3.96Å; L123-I312 HydrophobicContact CD1-CD1 4.08Å |
| 124 | F | 96.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -75.1 | -14.3 | -175.9 | -82.3 | -112.8 | 0 | 0 | 0 | 113.8 | E122 Y126 L127 R128 P164 L167 I222 E225 M226 | E122-F124 PolarHBondContact O-N 3.05Å; F124-Y126 VanDerWaalsContact C-N 3.3Å; F124-L127 HydrophobicContact CD1-CD2 3.46Å; F124-L127 VanDerWaalsContact CD1-CD2 3.46Å; F124-L127 HydrophobicContact CE1-CD2 3.52Å; F124-L127 HydrophobicContact CG-CD2 4.26Å; F124-L127 HydrophobicContact CZ-CD2 4.36Å; F124-L127 PolarHBondContact O-N 3.32Å; F124-R128 VanDerWaalsContact O-CG 3.29Å; F124-R128 WeakPolarHBondContact O-CG 3.46Å; F124-R128 PolarHBondContact O-N 2.76Å; F124-P164 HydrophobicContact CB-CB 3.69Å; F124-P164 HydrophobicContact CD1-CB 3.58Å; F124-P164 HydrophobicContact CD1-CG 3.5Å; F124-P164 HydrophobicContact CD2-CB 3.73Å; F124-P164 HydrophobicContact CD2-CG 4.2Å; F124-P164 HydrophobicContact CE1-CB 4.12Å; F124-P164 HydrophobicContact CE1-CG 3.61Å; F124-P164 HydrophobicContact CE2-CB 4.26Å; F124-P164 HydrophobicContact CE2-CG 4.29Å; F124-P164 HydrophobicContact CG-CB 3.37Å; F124-P164 HydrophobicContact CG-CG 3.83Å; F124-P164 HydrophobicContact CZ-CB 4.44Å; F124-P164 HydrophobicContact CZ-CG 4.01Å; F124-L167 HydrophobicContact CE2-CD1 4.01Å; F124-I222 HydrophobicContact CE2-CD1 4.18Å; F124-I222 HydrophobicContact CE2-CG2 4.45Å; F124-I222 HydrophobicContact CZ-CD1 3.76Å; F124-I222 HydrophobicContact CZ-CG2 4.23Å; F124-E225 HydrophobicContact CE1-CB 4.21Å; F124-E225 VanDerWaalsContact CE1-CD 3.41Å; F124-E225 HydrophobicContact CE1-CG 3.68Å; F124-M226 HydrophobicContact CE2-CG 4.37Å; F124-M226 HydrophobicContact CZ-CG 4.01Å |
| 125 | K | 95.7 | Very high | 96.5 | Very high | 61 Ų | 61 | 38.6 Ų | 38.6 | 27% | 0.265 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.5 | -45.9 | 165.2 | -175.4 | -175.4 | 178.5 | -179.1 | 0 | 110.4 | E122 L123 L127 R128 E129 C324 | E122-K125 HydrophobicContact CB-CB 4.42Å; E122-K125 VanDerWaalsContact O-CB 3.3Å; E122-K125 WeakPolarHBondContact O-CB 3.47Å; E122-K125 PolarHBondContact O-N 3.12Å; E122-K125 VanDerWaalsContact O-N 3.09Å; L123-K125 VanDerWaalsContact C-N 3.26Å; L123-K125 PolarHBondContact O-N 3.18Å; K125-L127 VanDerWaalsContact C-N 3.34Å; K125-L127 PolarHBondContact O-N 3.44Å; K125-R128 PolarHBondContact O-N 3.45Å; K125-E129 WeakPolarHBondContact O-CG 3.39Å; K125-E129 PolarHBondContact O-N 3.41Å; K125-E129 VanDerWaalsContact O-N 3.12Å; K125-C324 PolarHBondContact NZ-O 3.34Å |
| 126 | Y | 97 | Very high | 96.5 | Very high | 26 Ų | 26 | 44.9 Ų | 44.9 | 10% | 0.102 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.1 | -37.1 | 177.1 | -57.8 | -86.1 | 0 | 0 | 0 | 112 | G120 E122 L123 F124 E129 V130 L169 I312 P314 | G120-Y126 WeakPolarHBondContact O-CE2 3.38Å; G120-Y126 PolarHBondContact O-OH 3.06Å; E122-Y126 WeakPolarHBondContact O-CD2 3.19Å; L123-Y126 WeakPolarHBondContact O-CB 3.47Å; L123-Y126 PolarHBondContact O-N 3.08Å; L123-Y126 VanDerWaalsContact O-N 3.1Å; F124-Y126 VanDerWaalsContact C-N 3.3Å; Y126-E129 PolarHBondContact O-N 3.34Å; Y126-V130 WeakPolarHBondContact O-CG2 3.42Å; Y126-V130 PolarHBondContact O-N 2.98Å; Y126-L169 HydrophobicContact CD2-CD1 3.91Å; Y126-L169 HydrophobicContact CE2-CD1 3.79Å; Y126-L169 HydrophobicContact CE2-CG 4.47Å; Y126-I312 HydrophobicContact CD1-CG2 3.47Å; Y126-I312 VanDerWaalsContact CD1-CG2 3.47Å; Y126-I312 HydrophobicContact CD2-CG2 4.36Å; Y126-I312 HydrophobicContact CE1-CG2 3.74Å; Y126-I312 HydrophobicContact CG-CD1 4.33Å; Y126-I312 HydrophobicContact CG-CG2 3.81Å; Y126-P314 WeakPolarHBondContact OH-CA 3.4Å; Y126-P314 VanDerWaalsContact OH-CB 3.25Å; Y126-P314 WeakPolarHBondContact OH-CB 3.35Å |
| 127 | L | 97.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.6 | -49.4 | 173.7 | -177.5 | 68 | 0 | 0 | 0 | 110.9 | L123 F124 K125 E129 V130 G131 F133 E225 M226 | L123-L127 PolarHBondContact O-N 3.44Å; F124-L127 HydrophobicContact CD1-CD2 3.46Å; F124-L127 VanDerWaalsContact CD1-CD2 3.46Å; F124-L127 HydrophobicContact CE1-CD2 3.52Å; F124-L127 HydrophobicContact CG-CD2 4.26Å; F124-L127 HydrophobicContact CZ-CD2 4.36Å; F124-L127 PolarHBondContact O-N 3.32Å; K125-L127 VanDerWaalsContact C-N 3.34Å; K125-L127 PolarHBondContact O-N 3.44Å; L127-E129 VanDerWaalsContact C-N 3.27Å; L127-E129 PolarHBondContact O-N 3.08Å; L127-V130 PolarHBondContact O-N 3.46Å; L127-G131 CarbonylContact O-C 3.54Å; L127-G131 WeakPolarHBondContact O-CA 3.45Å; L127-G131 PolarHBondContact O-N 2.99Å; L127-F133 VanDerWaalsContact CA-CE1 3.48Å; L127-F133 HydrophobicContact CB-CE1 4.06Å; L127-F133 HydrophobicContact CB-CE2 3.97Å; L127-F133 HydrophobicContact CB-CZ 3.65Å; L127-F133 HydrophobicContact CD1-CB 4.34Å; L127-F133 HydrophobicContact CD1-CD1 3.88Å; L127-F133 HydrophobicContact CD1-CD2 3.78Å; L127-F133 HydrophobicContact CD1-CE1 4.07Å; L127-F133 HydrophobicContact CD1-CE2 3.97Å; L127-F133 HydrophobicContact CD1-CG 3.72Å; L127-F133 HydrophobicContact CD1-CZ 4.12Å; L127-F133 VanDerWaalsContact N-CZ 3.35Å; L127-E225 HydrophobicContact CD2-CG 4.34Å; L127-M226 WeakPolarHBondContact CD1-O 3.44Å |
| 128 | R | 96.4 | Very high | 96.6 | Very high | 142 Ų | 142 | 42.7 Ų | 42.7 | 54% | 0.536 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59 | -37.8 | 178.5 | -71.3 | -178.9 | -65.9 | -106.8 | 8.1 | 112.4 | E122 F124 K125 | E122-R128 IonicContact OE2-NH1 2.72Å; E122-R128 IonicContact OE2-NH2 2.87Å; E122-R128 PolarHBondContact OE2-NH2 3.32Å; E122-R128 VanDerWaalsContact OE2-NH2 3.1Å; F124-R128 VanDerWaalsContact O-CG 3.29Å; F124-R128 WeakPolarHBondContact O-CG 3.46Å; F124-R128 PolarHBondContact O-N 2.76Å; K125-R128 PolarHBondContact O-N 3.45Å |
| 129 | E | 95.5 | Very high | 96.6 | Very high | 129 Ų | 129 | 44.3 Ų | 44.3 | 60% | 0.603 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -66.5 | -33.6 | 178.8 | -73.3 | 173.1 | -171.4 | 0 | 0 | 113.2 | K125 Y126 L127 | K125-E129 WeakPolarHBondContact O-CG 3.39Å; K125-E129 PolarHBondContact O-N 3.41Å; K125-E129 VanDerWaalsContact O-N 3.12Å; Y126-E129 PolarHBondContact O-N 3.34Å; L127-E129 VanDerWaalsContact C-N 3.27Å; L127-E129 PolarHBondContact O-N 3.08Å |
| 130 | V | 96.2 | Very high | 96.7 | Very high | 90 Ų | 90 | 44.7 Ų | 44.7 | 55% | 0.545 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -103.2 | -5.5 | -178.7 | -55 | 0 | 0 | 0 | 0 | 114 | Y126 L127 H132 F133 | Y126-V130 WeakPolarHBondContact O-CG2 3.42Å; Y126-V130 PolarHBondContact O-N 2.98Å; L127-V130 PolarHBondContact O-N 3.46Å; V130-H132 VanDerWaalsContact C-N 3.25Å; V130-H132 WeakPolarHBondContact CG2-O 3.21Å; V130-H132 PolarHBondContact O-N 2.94Å; V130-H132 VanDerWaalsContact O-N 3.1Å; V130-F133 HydrophobicContact CG2-CD1 3.67Å; V130-F133 HydrophobicContact CG2-CE1 3.75Å |
| 131 | G | 95.9 | Very high | 96.8 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 41% | 0.412 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 83 | -56.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L127 G229 | L127-G131 CarbonylContact O-C 3.54Å; L127-G131 WeakPolarHBondContact O-CA 3.45Å; L127-G131 PolarHBondContact O-N 2.99Å; G131-G229 WeakPolarHBondContact O-CA 3.15Å |
| 132 | H | 95.9 | Very high | 97 | Very high | 83 Ų | 83 | 44.7 Ų | 44.7 | 38% | 0.384 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -148.6 | 154.7 | 174.7 | 67.1 | 86.9 | 0 | 0 | 0 | 111.3 | V130 | V130-H132 VanDerWaalsContact C-N 3.25Å; V130-H132 WeakPolarHBondContact CG2-O 3.21Å; V130-H132 PolarHBondContact O-N 2.94Å; V130-H132 VanDerWaalsContact O-N 3.1Å |
| 133 | F | 97.3 | Very high | 97.1 | Very high | 10 Ų | 10 | 42.6 Ų | 42.6 | 4% | 0.044 | 22% | 0.217 | C | C | . | . | trans | -85.3 | 156.6 | 173.8 | -66.5 | -27.8 | 0 | 0 | 0 | 111.8 | L123 L127 V130 T137 M226 I312 | L123-F133 HydrophobicContact CD1-CE2 3.68Å; L123-F133 HydrophobicContact CD1-CZ 3.83Å; L123-F133 HydrophobicContact CG-CE2 4.05Å; L123-F133 HydrophobicContact CG-CZ 4.44Å; L127-F133 VanDerWaalsContact CA-CE1 3.48Å; L127-F133 HydrophobicContact CB-CE1 4.06Å; L127-F133 HydrophobicContact CB-CE2 3.97Å; L127-F133 HydrophobicContact CB-CZ 3.65Å; L127-F133 HydrophobicContact CD1-CB 4.34Å; L127-F133 HydrophobicContact CD1-CD1 3.88Å; L127-F133 HydrophobicContact CD1-CD2 3.78Å; L127-F133 HydrophobicContact CD1-CE1 4.07Å; L127-F133 HydrophobicContact CD1-CE2 3.97Å; L127-F133 HydrophobicContact CD1-CG 3.72Å; L127-F133 HydrophobicContact CD1-CZ 4.12Å; L127-F133 VanDerWaalsContact N-CZ 3.35Å; V130-F133 HydrophobicContact CG2-CD1 3.67Å; V130-F133 HydrophobicContact CG2-CE1 3.75Å; F133-T137 HydrophobicContact CB-CG2 3.85Å; F133-T137 HydrophobicContact CD1-CG2 3.98Å; F133-T137 HydrophobicContact CD2-CG2 3.94Å; F133-T137 HydrophobicContact CG-CG2 3.66Å; F133-M226 WeakPolarHBondContact CB-O 3.33Å; F133-M226 HydrophobicContact CD2-CB 3.92Å; F133-M226 HydrophobicContact CD2-CG 3.8Å; F133-M226 HydrophobicContact CD2-SD 4.01Å; F133-M226 HydrophobicContact CE2-CG 4.13Å; F133-M226 HydrophobicContact CE2-SD 4.22Å; F133-M226 PolarHBondContact N-O 3.33Å; F133-I312 HydrophobicContact CE1-CD1 3.67Å; F133-I312 HydrophobicContact CE2-CD1 4.37Å; F133-I312 HydrophobicContact CZ-CD1 3.58Å | ||
| 134 | S | 96.2 | Very high | 97.1 | Very high | 61 Ų | 61 | 42.7 Ų | 42.7 | 43% | 0.427 | 22% | 0.217 | S | C | . | . | trans | -69.5 | 162.5 | 167.3 | 69.4 | 0 | 0 | 0 | 0 | 110.6 | E136 T137 T138 | S134-E136 PolarHBondContact O-N 2.79Å; S134-T137 PolarHBondContact O-N 3.41Å; S134-T137 PolarHBondContact OG-N 2.93Å; S134-T137 VanDerWaalsContact OG-N 3.16Å; S134-T137 PolarHBondContact OG-OG1 2.77Å; S134-T138 VanDerWaalsContact O-CB 3.32Å; S134-T138 WeakPolarHBondContact O-CB 3.41Å; S134-T138 PolarHBondContact O-N 3.44Å; S134-T138 PolarHBondContact O-OG1 2.82Å | ||
| 135 | S | 96 | Very high | 97.2 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 18% | 0.175 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.5 | -38.7 | 173.2 | -178.4 | 0 | 0 | 0 | 0 | 112.2 | R139 D260 W294 | S135-R139 WeakPolarHBondContact O-CB 3.03Å; S135-R139 PolarHBondContact O-N 3.12Å; S135-R139 PolarHBondContact OG-NH2 3.35Å; S135-R139 VanDerWaalsContact OG-NH2 3.17Å; S135-D260 WeakPolarHBondContact CB-OD2 3.42Å; S135-D260 PolarHBondContact OG-OD2 3.1Å; S135-W294 PolarHBondContact OG-NE1 2.98Å |
| 136 | E | 96.8 | Very high | 97.4 | Very high | 145 Ų | 145 | 39.6 Ų | 39.6 | 68% | 0.678 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -63.6 | -50.4 | 177.1 | -174.6 | -177.3 | 171 | 0 | 0 | 112.1 | S134 T138 R139 F140 | S134-E136 PolarHBondContact O-N 2.79Å; E136-T138 VanDerWaalsContact C-N 3.34Å; E136-T138 PolarHBondContact O-N 3.28Å; E136-R139 PolarHBondContact O-N 3.02Å; E136-F140 PolarHBondContact O-N 3.29Å |
| 137 | T | 97.8 | Very high | 97.4 | Very high | 21 Ų | 21 | 39 Ų | 39 | 13% | 0.129 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.4 | -43.7 | 177.8 | -64.4 | 0 | 0 | 0 | 0 | 111.3 | F133 S134 F140 Y141 P311 I312 | F133-T137 HydrophobicContact CB-CG2 3.85Å; F133-T137 HydrophobicContact CD1-CG2 3.98Å; F133-T137 HydrophobicContact CD2-CG2 3.94Å; F133-T137 HydrophobicContact CG-CG2 3.66Å; S134-T137 PolarHBondContact O-N 3.41Å; S134-T137 PolarHBondContact OG-N 2.93Å; S134-T137 VanDerWaalsContact OG-N 3.16Å; S134-T137 PolarHBondContact OG-OG1 2.77Å; T137-F140 WeakPolarHBondContact O-CB 3.5Å; T137-F140 PolarHBondContact O-N 2.96Å; T137-Y141 HydrophobicContact CG2-CD2 4.08Å; T137-Y141 HydrophobicContact CG2-CE2 3.83Å; T137-Y141 VanDerWaalsContact O-CD2 3.31Å; T137-Y141 WeakPolarHBondContact O-CD2 3.46Å; T137-Y141 PolarHBondContact O-N 3.27Å; T137-P311 HydrophobicContact CG2-CB 4.04Å; T137-P311 HydrophobicContact CG2-CG 3.76Å; T137-P311 WeakPolarHBondContact OG1-CB 3.3Å; T137-I312 HydrophobicContact CG2-CD1 4.33Å |
| 138 | T | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 177.1 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | S134 E136 F140 Y141 A142 I223 M226 L227 W294 | S134-T138 VanDerWaalsContact O-CB 3.32Å; S134-T138 WeakPolarHBondContact O-CB 3.41Å; S134-T138 PolarHBondContact O-N 3.44Å; S134-T138 PolarHBondContact O-OG1 2.82Å; E136-T138 VanDerWaalsContact C-N 3.34Å; E136-T138 PolarHBondContact O-N 3.28Å; T138-F140 VanDerWaalsContact C-N 3.33Å; T138-F140 PolarHBondContact O-N 3.14Å; T138-Y141 PolarHBondContact O-N 3.47Å; T138-A142 WeakPolarHBondContact O-CB 3.31Å; T138-A142 PolarHBondContact O-N 2.87Å; T138-I223 HydrophobicContact CG2-CG2 3.91Å; T138-M226 HydrophobicContact CG2-CB 3.84Å; T138-M226 HydrophobicContact CG2-CE 3.82Å; T138-L227 HydrophobicContact CG2-CD1 4.25Å; T138-L227 HydrophobicContact CG2-CD2 3.88Å; T138-L227 HydrophobicContact CG2-CG 3.66Å; T138-W294 HydrophobicContact CG2-CH2 3.65Å; T138-W294 HydrophobicContact CG2-CZ2 3.95Å |
| 139 | R | 98.1 | Very high | 97.6 | Very high | 38 Ų | 38 | 32 Ų | 32 | 14% | 0.143 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63 | -38.9 | -179.7 | -170.3 | -171.1 | -50.9 | 146.9 | 13.2 | 112.1 | S135 E136 S143 W294 F295 D297 I298 | S135-R139 WeakPolarHBondContact O-CB 3.03Å; S135-R139 PolarHBondContact O-N 3.12Å; S135-R139 PolarHBondContact OG-NH2 3.35Å; S135-R139 VanDerWaalsContact OG-NH2 3.17Å; E136-R139 PolarHBondContact O-N 3.02Å; R139-S143 WeakPolarHBondContact O-CB 3.22Å; R139-S143 PolarHBondContact O-N 3.38Å; R139-W294 HydrophobicContact CB-CH2 3.95Å; R139-W294 HydrophobicContact CB-CZ2 3.84Å; R139-W294 HydrophobicContact CB-CZ3 4.36Å; R139-W294 WeakPolarHBondContact CD-O 3.47Å; R139-W294 HydrophobicContact CG-CD2 4.38Å; R139-W294 HydrophobicContact CG-CE3 4.33Å; R139-W294 HydrophobicContact CG-CH2 4.44Å; R139-W294 HydrophobicContact CG-CZ2 4.44Å; R139-W294 HydrophobicContact CG-CZ3 4.38Å; R139-W294 PolarHBondContact NE-O 2.88Å; R139-F295 HydrophobicContact CG-CD1 3.62Å; R139-F295 HydrophobicContact CG-CE1 3.82Å; R139-D297 VanDerWaalsContact CD-OD1 3.3Å; R139-D297 WeakPolarHBondContact CD-OD1 3.36Å; R139-D297 IonicContact CZ-OD1 2.77Å; R139-D297 IonicContact CZ-OD2 3.7Å; R139-D297 IonicContact NE-OD1 2.64Å; R139-D297 IonicContact NH1-OD1 3.55Å; R139-D297 PolarHBondContact NH1-OD1 3.22Å; R139-D297 IonicContact NH1-OD2 2.77Å; R139-D297 PolarHBondContact NH1-OD2 2.65Å; R139-I298 HydrophobicContact CG-CD1 4.18Å; R139-I298 HydrophobicContact CG-CG1 4.03Å |
| 140 | F | 98.5 | Very high | 97.6 | Very high | 16 Ų | 16 | 30.1 Ų | 30.1 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55.2 | -58.3 | 173.7 | 179.4 | -83.1 | 0 | 0 | 0 | 110.7 | E136 T137 T138 A142 S143 E144 H174 L308 P310 P311 | E136-F140 PolarHBondContact O-N 3.29Å; T137-F140 WeakPolarHBondContact O-CB 3.5Å; T137-F140 PolarHBondContact O-N 2.96Å; T138-F140 VanDerWaalsContact C-N 3.33Å; T138-F140 PolarHBondContact O-N 3.14Å; F140-A142 PolarHBondContact O-N 3.47Å; F140-S143 WeakPolarHBondContact O-CB 3.44Å; F140-S143 PolarHBondContact O-N 3.09Å; F140-S143 PolarHBondContact O-OG 2.86Å; F140-E144 HydrophobicContact CE1-CG 4.42Å; F140-E144 PolarHBondContact O-N 3Å; F140-H174 AromaticContact CZ-CE1 3.85Å; F140-H174 AromaticContact CZ-ND1 3.75Å; F140-L308 HydrophobicContact CD2-CB 4.27Å; F140-L308 HydrophobicContact CE2-CB 3.71Å; F140-P310 HydrophobicContact CE1-CB 4.18Å; F140-P310 HydrophobicContact CE2-CG 4.47Å; F140-P310 HydrophobicContact CZ-CB 3.87Å; F140-P310 HydrophobicContact CZ-CG 3.82Å; F140-P311 HydrophobicContact CB-CG 4.25Å; F140-P311 HydrophobicContact CD1-CG 4.09Å; F140-P311 HydrophobicContact CG-CG 4.14Å |
| 141 | Y | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.8 | -36.1 | -177.5 | -67.5 | -57.2 | 0 | 0 | 0 | 113 | L123 T137 T138 S143 E144 I145 L169 G173 L175 P311 I312 | L123-Y141 HydrophobicContact CD1-CD1 4.4Å; L123-Y141 HydrophobicContact CD1-CD2 3.68Å; L123-Y141 HydrophobicContact CD1-CE1 4.25Å; L123-Y141 HydrophobicContact CD1-CE2 3.49Å; L123-Y141 VanDerWaalsContact CD1-CE2 3.49Å; L123-Y141 HydrophobicContact CD1-CG 4.15Å; L123-Y141 HydrophobicContact CD2-CD1 4.24Å; L123-Y141 HydrophobicContact CD2-CD2 3.99Å; L123-Y141 HydrophobicContact CD2-CG 3.8Å; T137-Y141 HydrophobicContact CG2-CD2 4.08Å; T137-Y141 HydrophobicContact CG2-CE2 3.83Å; T137-Y141 VanDerWaalsContact O-CD2 3.31Å; T137-Y141 WeakPolarHBondContact O-CD2 3.46Å; T137-Y141 PolarHBondContact O-N 3.27Å; T138-Y141 PolarHBondContact O-N 3.47Å; Y141-S143 VanDerWaalsContact C-N 3.28Å; Y141-S143 PolarHBondContact O-N 3.05Å; Y141-E144 PolarHBondContact O-N 3.07Å; Y141-I145 WeakPolarHBondContact O-CG1 3.24Å; Y141-I145 PolarHBondContact O-N 3.47Å; Y141-L169 HydrophobicContact CD1-CD2 4.22Å; Y141-L169 HydrophobicContact CE1-CD2 3.51Å; Y141-G173 WeakPolarHBondContact CE1-O 3.46Å; Y141-G173 PolarHBondContact OH-O 2.85Å; Y141-L175 HydrophobicContact CD1-CB 4.25Å; Y141-L175 HydrophobicContact CD1-CD1 4.13Å; Y141-P311 HydrophobicContact CE2-CG 3.75Å; Y141-I312 HydrophobicContact CE2-CD1 3.8Å; Y141-I312 HydrophobicContact CE2-CG1 4.22Å; Y141-I312 VanDerWaalsContact OH-CB 3.3Å; Y141-I312 WeakPolarHBondContact OH-CB 3.34Å |
| 142 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.8 | -40.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T138 F140 E144 I145 I146 I223 W294 F295 | T138-A142 WeakPolarHBondContact O-CB 3.31Å; T138-A142 PolarHBondContact O-N 2.87Å; F140-A142 PolarHBondContact O-N 3.47Å; A142-E144 VanDerWaalsContact C-N 3.32Å; A142-E144 PolarHBondContact O-N 3.39Å; A142-I145 PolarHBondContact O-N 2.86Å; A142-I146 WeakPolarHBondContact O-CB 3.48Å; A142-I146 WeakPolarHBondContact O-CD1 3.35Å; A142-I146 WeakPolarHBondContact O-CG1 3.47Å; A142-I146 PolarHBondContact O-N 2.96Å; A142-I223 HydrophobicContact CB-CD1 3.94Å; A142-I223 HydrophobicContact CB-CG1 3.81Å; A142-W294 HydrophobicContact CB-CH2 4.11Å; A142-W294 HydrophobicContact CB-CZ3 3.88Å; A142-F295 HydrophobicContact CB-CE1 4.2Å; A142-F295 HydrophobicContact CB-CZ 4.24Å |
| 143 | S | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.4 | -37.3 | 178 | 77.9 | 0 | 0 | 0 | 0 | 112.5 | R139 F140 Y141 L147 V303 | R139-S143 WeakPolarHBondContact O-CB 3.22Å; R139-S143 PolarHBondContact O-N 3.38Å; F140-S143 WeakPolarHBondContact O-CB 3.44Å; F140-S143 PolarHBondContact O-N 3.09Å; F140-S143 PolarHBondContact O-OG 2.86Å; Y141-S143 VanDerWaalsContact C-N 3.28Å; Y141-S143 PolarHBondContact O-N 3.05Å; S143-L147 WeakPolarHBondContact O-CG 3.21Å; S143-L147 PolarHBondContact O-N 3.1Å; S143-L147 VanDerWaalsContact O-N 3.09Å; S143-V303 WeakPolarHBondContact OG-CG1 3.39Å |
| 144 | E | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.8 | -42.1 | 177.4 | -61.3 | -168.1 | 143.4 | 0 | 0 | 111.9 | F97 F140 Y141 A142 L147 A148 H174 L175 V303 | F97-E144 HydrophobicContact CD1-CB 4.15Å; F97-E144 HydrophobicContact CD1-CG 4.24Å; F97-E144 HydrophobicContact CD2-CB 3.84Å; F97-E144 HydrophobicContact CD2-CG 4.29Å; F97-E144 WeakPolarHBondContact CD2-O 3.48Å; F97-E144 HydrophobicContact CE1-CB 4.25Å; F97-E144 VanDerWaalsContact CE1-CD 3.49Å; F97-E144 HydrophobicContact CE1-CG 3.85Å; F97-E144 WeakPolarHBondContact CE1-OE1 3.46Å; F97-E144 HydrophobicContact CE2-CB 3.99Å; F97-E144 HydrophobicContact CE2-CG 3.95Å; F97-E144 HydrophobicContact CG-CB 3.95Å; F97-E144 HydrophobicContact CG-CG 4.45Å; F97-E144 HydrophobicContact CZ-CB 4.17Å; F97-E144 HydrophobicContact CZ-CG 3.69Å; F97-E144 WeakPolarHBondContact CZ-OE1 3.31Å; F140-E144 HydrophobicContact CE1-CG 4.42Å; F140-E144 PolarHBondContact O-N 3Å; Y141-E144 PolarHBondContact O-N 3.07Å; A142-E144 VanDerWaalsContact C-N 3.32Å; A142-E144 PolarHBondContact O-N 3.39Å; E144-L147 PolarHBondContact O-N 2.85Å; E144-A148 PolarHBondContact O-N 3.23Å; E144-H174 IonicContact OE1-CE1 2.66Å; E144-H174 IonicContact OE1-CG 3.14Å; E144-H174 IonicContact OE1-ND1 2.86Å; E144-H174 PolarHBondContact OE1-ND1 2.92Å; E144-L175 HydrophobicContact CB-CB 4.13Å; E144-L175 WeakPolarHBondContact OE2-CB 3.49Å; E144-L175 PolarHBondContact OE2-N 3.22Å; E144-V303 HydrophobicContact CG-CG1 3.9Å |
| 145 | I | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.7 | -47.7 | 173.6 | -66.9 | 165.4 | 0 | 0 | 0 | 110.2 | Y141 A142 L147 A148 L149 L162 L167 L175 T219 I222 | Y141-I145 WeakPolarHBondContact O-CG1 3.24Å; Y141-I145 PolarHBondContact O-N 3.47Å; A142-I145 PolarHBondContact O-N 2.86Å; I145-L147 VanDerWaalsContact C-N 3.34Å; I145-L147 PolarHBondContact O-N 3.13Å; I145-A148 PolarHBondContact O-N 3.2Å; I145-L149 HydrophobicContact CG2-CD1 3.94Å; I145-L149 HydrophobicContact CG2-CG 4.3Å; I145-L149 WeakPolarHBondContact O-CG 3.27Å; I145-L149 PolarHBondContact O-N 2.99Å; I145-L162 HydrophobicContact CG2-CD1 4.31Å; I145-L162 HydrophobicContact CG2-CD2 4.02Å; I145-L167 HydrophobicContact CD1-CD1 3.91Å; I145-L167 HydrophobicContact CD1-CD2 4.28Å; I145-L167 HydrophobicContact CG1-CD2 4.19Å; I145-L175 HydrophobicContact CD1-CD1 4.08Å; I145-L175 HydrophobicContact CG1-CD1 3.84Å; I145-L175 HydrophobicContact CG1-CD2 4.05Å; I145-T219 HydrophobicContact CG2-CG2 4.45Å; I145-I222 HydrophobicContact CD1-CG2 3.93Å |
| 146 | I | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.5 | -44 | 179.8 | -74.3 | 163.6 | 0 | 0 | 0 | 111.1 | A142 L149 K150 W216 T219 M286 I289 L290 F295 W300 | A142-I146 WeakPolarHBondContact O-CB 3.48Å; A142-I146 WeakPolarHBondContact O-CD1 3.35Å; A142-I146 WeakPolarHBondContact O-CG1 3.47Å; A142-I146 PolarHBondContact O-N 2.96Å; I146-L149 PolarHBondContact O-N 3.14Å; I146-K150 WeakPolarHBondContact O-CB 2.92Å; I146-K150 PolarHBondContact O-N 3.01Å; I146-W216 HydrophobicContact CB-CZ3 4.41Å; I146-W216 HydrophobicContact CG1-CZ3 4Å; I146-W216 HydrophobicContact CG2-CH2 4.32Å; I146-W216 HydrophobicContact CG2-CZ3 4.38Å; I146-T219 HydrophobicContact CG1-CG2 4.41Å; I146-M286 HydrophobicContact CG2-CE 3.64Å; I146-I289 HydrophobicContact CD1-CG2 3.82Å; I146-I289 HydrophobicContact CG1-CG2 4.2Å; I146-I289 HydrophobicContact CG2-CG2 3.89Å; I146-L290 HydrophobicContact CG2-CD2 3.92Å; I146-F295 HydrophobicContact CD1-CE1 4.02Å; I146-F295 HydrophobicContact CD1-CE2 3.54Å; I146-F295 HydrophobicContact CD1-CZ 3.19Å; I146-W300 HydrophobicContact CB-CH2 4.32Å; I146-W300 HydrophobicContact CB-CZ3 4.23Å; I146-W300 HydrophobicContact CD1-CH2 4.2Å; I146-W300 HydrophobicContact CG2-CH2 3.93Å; I146-W300 HydrophobicContact CG2-CZ3 3.92Å |
| 147 | L | 98.2 | Very high | 97.5 | Very high | 13 Ų | 13 | 23.6 Ų | 23.6 | 7% | 0.068 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.7 | -39.1 | 177.3 | -74.1 | -175.7 | 0 | 0 | 0 | 112.5 | H95 F97 S143 E144 I145 K150 Y151 W300 V303 F304 | H95-L147 PolarHBondContact NE2-O 3.39Å; F97-L147 HydrophobicContact CD2-CB 4.29Å; F97-L147 HydrophobicContact CE2-CB 4.31Å; F97-L147 HydrophobicContact CE2-CD1 4.12Å; S143-L147 WeakPolarHBondContact O-CG 3.21Å; S143-L147 PolarHBondContact O-N 3.1Å; S143-L147 VanDerWaalsContact O-N 3.09Å; E144-L147 PolarHBondContact O-N 2.85Å; I145-L147 VanDerWaalsContact C-N 3.34Å; I145-L147 PolarHBondContact O-N 3.13Å; L147-K150 HydrophobicContact CD2-CD 4.44Å; L147-Y151 PolarHBondContact O-N 2.94Å; L147-Y151 VanDerWaalsContact O-N 3.07Å; L147-W300 HydrophobicContact CD1-CE3 4.2Å; L147-W300 HydrophobicContact CD2-CE3 3.78Å; L147-W300 HydrophobicContact CD2-CZ3 4.32Å; L147-W300 HydrophobicContact CG-CE3 3.82Å; L147-W300 HydrophobicContact CG-CZ3 4.12Å; L147-V303 HydrophobicContact CD1-CB 3.78Å; L147-V303 HydrophobicContact CD1-CG1 3.63Å; L147-F304 HydrophobicContact CD1-CB 3.95Å |
| 148 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.6 | -47.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F97 I98 E144 I145 Y151 L152 M177 | F97-A148 HydrophobicContact CB-CB 4.23Å; I98-A148 HydrophobicContact CD1-CB 4.4Å; I98-A148 HydrophobicContact CG1-CB 4.09Å; E144-A148 PolarHBondContact O-N 3.23Å; I145-A148 PolarHBondContact O-N 3.2Å; A148-Y151 WeakPolarHBondContact O-CB 3.4Å; A148-Y151 PolarHBondContact O-N 3.36Å; A148-L152 WeakPolarHBondContact O-CG 3.43Å; A148-L152 PolarHBondContact O-N 3.14Å; A148-M177 HydrophobicContact CB-CG 4.41Å; A148-M177 HydrophobicContact CB-SD 3.46Å; A148-M177 WeakPolarHBondContact CB-SD 3.29Å |
| 149 | L | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.8 | -43.1 | 177.6 | -71.1 | 179.4 | 0 | 0 | 0 | 112 | I145 I146 Y151 L152 H153 L162 M177 D215 W216 T219 | I145-L149 HydrophobicContact CG2-CD1 3.94Å; I145-L149 HydrophobicContact CG2-CG 4.3Å; I145-L149 WeakPolarHBondContact O-CG 3.27Å; I145-L149 PolarHBondContact O-N 2.99Å; I146-L149 PolarHBondContact O-N 3.14Å; L149-Y151 VanDerWaalsContact C-N 3.26Å; L149-Y151 PolarHBondContact O-N 3.03Å; L149-L152 HydrophobicContact CD2-CD1 4.36Å; L149-L152 PolarHBondContact O-N 3.29Å; L149-L152 VanDerWaalsContact O-N 3.12Å; L149-H153 WeakPolarHBondContact O-CB 3.45Å; L149-H153 PolarHBondContact O-CD2 3.34Å; L149-H153 PolarHBondContact O-N 3.4Å; L149-L162 HydrophobicContact CD1-CD2 4.42Å; L149-M177 HydrophobicContact CD2-CE 4.1Å; L149-D215 HydrophobicContact CD1-CB 4.08Å; L149-D215 HydrophobicContact CD2-CB 3.97Å; L149-W216 HydrophobicContact CB-CH2 3.75Å; L149-W216 HydrophobicContact CB-CZ2 4.33Å; L149-W216 HydrophobicContact CB-CZ3 4.03Å; L149-W216 HydrophobicContact CD1-CE3 4.13Å; L149-W216 HydrophobicContact CD1-CH2 4.43Å; L149-W216 HydrophobicContact CD1-CZ3 3.88Å; L149-T219 WeakPolarHBondContact CD1-OG1 3.31Å |
| 150 | K | 96.8 | Very high | 97.3 | Very high | 88 Ų | 88 | 22.2 Ų | 22.2 | 38% | 0.383 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -52.9 | -46.1 | 173.2 | 177.1 | -179.9 | 175.8 | -170.1 | 0 | 111.4 | I146 L147 S154 M286 L290 | I146-K150 WeakPolarHBondContact O-CB 2.92Å; I146-K150 PolarHBondContact O-N 3.01Å; L147-K150 HydrophobicContact CD2-CD 4.44Å; K150-S154 WeakPolarHBondContact O-CB 3.42Å; K150-S154 PolarHBondContact O-N 3.47Å; K150-M286 HydrophobicContact CB-CE 4.46Å; K150-M286 HydrophobicContact CB-SD 3.54Å; K150-M286 VanDerWaalsContact CB-SD 3.54Å; K150-M286 HydrophobicContact CD-CE 4.48Å; K150-M286 HydrophobicContact CD-CG 3.8Å; K150-M286 HydrophobicContact CD-SD 3.72Å; K150-M286 HydrophobicContact CG-CG 3.93Å; K150-M286 HydrophobicContact CG-SD 3.48Å; K150-M286 WeakPolarHBondContact CG-SD 3.25Å; K150-L290 HydrophobicContact CD-CD1 4.41Å |
| 151 | Y | 97.6 | Very high | 97.1 | Very high | 52 Ų | 52 | 21.6 Ų | 21.6 | 20% | 0.204 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.4 | -48.4 | 177 | 170.2 | -109.6 | 0 | 0 | 0 | 111.7 | L93 N94 H95 I98 L147 A148 L149 H153 S154 L155 | L93-Y151 HydrophobicContact CB-CE1 4.28Å; L93-Y151 HydrophobicContact CD2-CE1 3.83Å; N94-Y151 PolarHBondContact N-OH 2.76Å; H95-Y151 HydrophobicContact CB-CD1 3.67Å; H95-Y151 HydrophobicContact CB-CE1 3.81Å; H95-Y151 HydrophobicContact CB-CG 4.27Å; H95-Y151 AromaticContact CD2-CD1 3.89Å; H95-Y151 AromaticContact CD2-CG 3.62Å; H95-Y151 AromaticContact CG-CD1 3.91Å; I98-Y151 HydrophobicContact CD1-CD1 3.81Å; I98-Y151 HydrophobicContact CD1-CE1 4.22Å; L147-Y151 PolarHBondContact O-N 2.94Å; L147-Y151 VanDerWaalsContact O-N 3.07Å; A148-Y151 WeakPolarHBondContact O-CB 3.4Å; A148-Y151 PolarHBondContact O-N 3.36Å; L149-Y151 VanDerWaalsContact C-N 3.26Å; L149-Y151 PolarHBondContact O-N 3.03Å; Y151-H153 PolarHBondContact O-N 2.93Å; Y151-S154 PolarHBondContact O-N 2.91Å; Y151-S154 PolarHBondContact O-OG 2.72Å; Y151-L155 HydrophobicContact CE1-CD1 4.07Å; Y151-L155 HydrophobicContact CE2-CD1 3.96Å; Y151-L155 PolarHBondContact O-N 3.33Å |
| 152 | L | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.4 | -47.6 | 177.8 | -68.2 | 175.1 | 0 | 0 | 0 | 112.3 | L93 I98 A148 L149 S154 L155 N156 I157 Y159 F180 | L93-L152 HydrophobicContact CD1-CD2 3.74Å; L93-L152 HydrophobicContact CD2-CD2 3.6Å; L93-L152 HydrophobicContact CG-CD2 4.33Å; I98-L152 HydrophobicContact CD1-CD1 4.25Å; I98-L152 HydrophobicContact CD1-CD2 3.84Å; I98-L152 HydrophobicContact CD1-CG 3.92Å; A148-L152 WeakPolarHBondContact O-CG 3.43Å; A148-L152 PolarHBondContact O-N 3.14Å; L149-L152 HydrophobicContact CD2-CD1 4.36Å; L149-L152 PolarHBondContact O-N 3.29Å; L149-L152 VanDerWaalsContact O-N 3.12Å; L152-S154 VanDerWaalsContact C-N 3.27Å; L152-S154 PolarHBondContact O-N 3.32Å; L152-L155 CarbonylContact O-C 3.55Å; L152-L155 WeakPolarHBondContact O-CA 3.39Å; L152-L155 WeakPolarHBondContact O-CB 3.5Å; L152-L155 PolarHBondContact O-N 3.45Å; L152-N156 PolarHBondContact O-N 3.2Å; L152-I157 CarbonylContact C-O 3.49Å; L152-I157 VanDerWaalsContact C-O 3.3Å; L152-I157 HydrophobicContact CB-CB 4.28Å; L152-I157 HydrophobicContact CB-CG2 4.48Å; L152-I157 HydrophobicContact CD2-CB 4.35Å; L152-I157 HydrophobicContact CD2-CD1 4.48Å; L152-I157 HydrophobicContact CD2-CG2 4.1Å; L152-I157 PolarHBondContact O-N 2.91Å; L152-Y159 HydrophobicContact CD1-CD2 4.42Å; L152-Y159 HydrophobicContact CD1-CG 4.48Å; L152-F180 HydrophobicContact CD1-CE1 3.83Å; L152-F180 HydrophobicContact CD1-CZ 4.22Å; L152-F180 HydrophobicContact CD2-CE1 3.85Å |
| 153 | H | 95.5 | Very high | 96.7 | Very high | 28 Ų | 28 | 23.1 Ų | 23.1 | 13% | 0.13 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.6 | -34.2 | -179.7 | -63.1 | 173 | 0 | 0 | 0 | 111.6 | L149 Y151 L155 N156 I157 H212 D215 W216 | L149-H153 WeakPolarHBondContact O-CB 3.45Å; L149-H153 PolarHBondContact O-CD2 3.34Å; L149-H153 PolarHBondContact O-N 3.4Å; Y151-H153 PolarHBondContact O-N 2.93Å; H153-L155 PolarHBondContact O-N 2.89Å; H153-N156 WeakPolarHBondContact O-CA 3.4Å; H153-N156 PolarHBondContact O-N 3.3Å; H153-I157 PolarHBondContact CD2-O 3.02Å; H153-H212 HydrophobicContact CB-CB 4.5Å; H153-D215 IonicContact CD2-OD2 3.49Å; H153-D215 IonicContact CE1-OD2 3.16Å; H153-D215 IonicContact NE2-OD2 3.5Å; H153-D215 PolarHBondContact NE2-OD2 3.12Å; H153-W216 AromaticContact CE1-CE2 3.54Å; H153-W216 AromaticContact CE1-CZ2 3.69Å; H153-W216 AromaticContact CE1-NE1 3.48Å; H153-W216 PolarHBondContact CE1-NE1 3.16Å; H153-W216 AromaticContact ND1-CE2 3.57Å; H153-W216 AromaticContact ND1-CZ2 3.44Å; H153-W216 WeakPolarHBondContact ND1-CZ2 3.47Å; H153-W216 AromaticContact ND1-NE1 3.44Å; H153-W216 PolarHBondContact ND1-NE1 3.47Å |
| 154 | S | 94.5 | Very high | 96.4 | Very high | 83 Ų | 83 | 23.5 Ų | 23.5 | 58% | 0.58 | 12% | 0.12 | S | C | * | . | H | α-helix | trans | -62.5 | -21.9 | 173.4 | 81.1 | 0 | 0 | 0 | 0 | 113.8 | K150 Y151 L152 | K150-S154 WeakPolarHBondContact O-CB 3.42Å; K150-S154 PolarHBondContact O-N 3.47Å; Y151-S154 PolarHBondContact O-N 2.91Å; Y151-S154 PolarHBondContact O-OG 2.72Å; L152-S154 VanDerWaalsContact C-N 3.27Å; L152-S154 PolarHBondContact O-N 3.32Å |
| 155 | L | 95.8 | Very high | 96.1 | Very high | 60 Ų | 60 | 27.8 Ų | 27.8 | 31% | 0.314 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 9.4 | 174.7 | -58.2 | 177.6 | 0 | 0 | 0 | 112.6 | L93 Y151 L152 H153 I157 H185 | L93-L155 HydrophobicContact CD2-CD1 3.93Å; Y151-L155 HydrophobicContact CE1-CD1 4.07Å; Y151-L155 HydrophobicContact CE2-CD1 3.96Å; Y151-L155 PolarHBondContact O-N 3.33Å; L152-L155 CarbonylContact O-C 3.55Å; L152-L155 WeakPolarHBondContact O-CA 3.39Å; L152-L155 WeakPolarHBondContact O-CB 3.5Å; L152-L155 PolarHBondContact O-N 3.45Å; H153-L155 PolarHBondContact O-N 2.89Å; L155-I157 HydrophobicContact CB-CD1 3.85Å; L155-I157 HydrophobicContact CB-CG1 4.13Å; L155-I157 HydrophobicContact CD1-CD1 4.21Å; L155-I157 PolarHBondContact O-N 2.75Å; L155-H185 PolarHBondContact O-ND1 3.29Å |
| 156 | N | 95.2 | Very high | 96 | Very high | 94 Ų | 94 | 28 Ų | 28 | 50% | 0.503 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 29.3 | -171.1 | -53.8 | -72.4 | 0 | 0 | 0 | 113.4 | L152 H153 H185 V186 | L152-N156 PolarHBondContact O-N 3.2Å; H153-N156 WeakPolarHBondContact O-CA 3.4Å; H153-N156 PolarHBondContact O-N 3.3Å; N156-H185 CarbonylContact O-C 3.58Å; N156-H185 VanDerWaalsContact O-CA 3.23Å; N156-H185 WeakPolarHBondContact O-CA 3.48Å; N156-V186 PolarHBondContact O-N 3.44Å |
| 157 | I | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 123 | 176.4 | -62.5 | 164.7 | 0 | 0 | 0 | 108.2 | I89 L93 L152 H153 L155 A183 K184 H185 | I89-I157 HydrophobicContact CD1-CG2 4.4Å; I89-I157 HydrophobicContact CG2-CD1 4.14Å; I89-I157 HydrophobicContact CG2-CG2 4.19Å; L93-I157 HydrophobicContact CD2-CD1 3.78Å; L152-I157 CarbonylContact C-O 3.49Å; L152-I157 VanDerWaalsContact C-O 3.3Å; L152-I157 HydrophobicContact CB-CB 4.28Å; L152-I157 HydrophobicContact CB-CG2 4.48Å; L152-I157 HydrophobicContact CD2-CB 4.35Å; L152-I157 HydrophobicContact CD2-CD1 4.48Å; L152-I157 HydrophobicContact CD2-CG2 4.1Å; L152-I157 PolarHBondContact O-N 2.91Å; H153-I157 PolarHBondContact CD2-O 3.02Å; L155-I157 HydrophobicContact CB-CD1 3.85Å; L155-I157 HydrophobicContact CB-CG1 4.13Å; L155-I157 HydrophobicContact CD1-CD1 4.21Å; L155-I157 PolarHBondContact O-N 2.75Å; I157-A183 HydrophobicContact CG2-CB 4.21Å; I157-K184 WeakPolarHBondContact CA-O 3.23Å; I157-H185 VanDerWaalsContact CG1-CE1 3.41Å; I157-H185 WeakPolarHBondContact CG1-CE1 3.46Å; I157-H185 WeakPolarHBondContact CG1-ND1 3.29Å |
| 158 | V | 96.2 | Very high | 96 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.024 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 131.7 | 170.4 | -171.4 | 0 | 0 | 0 | 0 | 107.8 | R160 A183 K184 V186 H212 D215 | V158-R160 HydrophobicContact CB-CG 3.96Å; V158-R160 HydrophobicContact CG1-CG 3.42Å; V158-R160 VanDerWaalsContact CG1-CG 3.42Å; V158-A183 CarbonylContact O-C 3.53Å; V158-A183 VanDerWaalsContact O-CA 3.26Å; V158-A183 WeakPolarHBondContact O-CA 3.38Å; V158-K184 PolarHBondContact N-O 3.21Å; V158-K184 PolarHBondContact O-N 2.85Å; V158-V186 HydrophobicContact CB-CG2 4.2Å; V158-V186 HydrophobicContact CG2-CB 3.76Å; V158-V186 HydrophobicContact CG2-CG2 3.75Å; V158-H212 HydrophobicContact CG2-CB 4.19Å; V158-D215 WeakPolarHBondContact CG1-OD2 3.43Å |
| 159 | Y | 96.7 | Very high | 96 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | trans | -78.6 | -46.8 | -172.5 | -179.3 | -119 | 0 | 0 | 0 | 112.6 | L152 D161 L162 N166 M177 T178 D179 F180 F182 A183 D215 | L152-Y159 HydrophobicContact CD1-CD2 4.42Å; L152-Y159 HydrophobicContact CD1-CG 4.48Å; Y159-D161 VanDerWaalsContact CE1-O 3.27Å; Y159-D161 WeakPolarHBondContact CE1-O 3.46Å; Y159-D161 PolarHBondContact O-N 2.82Å; Y159-L162 HydrophobicContact CD1-CB 3.94Å; Y159-L162 HydrophobicContact CD1-CD1 4.48Å; Y159-L162 HydrophobicContact CE1-CB 4.01Å; Y159-L162 HydrophobicContact CE1-CD1 4.2Å; Y159-N166 VanDerWaalsContact OH-CB 3.29Å; Y159-N166 WeakPolarHBondContact OH-CB 3.4Å; Y159-N166 PolarHBondContact OH-ND2 3.26Å; Y159-M177 HydrophobicContact CD1-CE 3.37Å; Y159-M177 HydrophobicContact CD2-CE 4.02Å; Y159-M177 HydrophobicContact CE1-CE 3.37Å; Y159-M177 HydrophobicContact CE2-CE 4.05Å; Y159-M177 HydrophobicContact CG-CE 3.71Å; Y159-T178 PolarHBondContact OH-O 3.38Å; Y159-D179 VanDerWaalsContact CE2-O 3.26Å; Y159-D179 WeakPolarHBondContact CE2-O 3.42Å; Y159-D179 PolarHBondContact OH-O 3.03Å; Y159-F180 AromaticContact CD2-CD1 3.93Å; Y159-F180 HydrophobicContact CD2-CD1 3.93Å; Y159-F180 AromaticContact CD2-CE1 3.72Å; Y159-F180 HydrophobicContact CD2-CE1 3.72Å; Y159-F180 HydrophobicContact CD2-CE2 4.45Å; Y159-F180 HydrophobicContact CD2-CG 4.37Å; Y159-F180 HydrophobicContact CD2-CZ 4Å; Y159-F180 HydrophobicContact CE2-CD1 4.08Å; Y159-F180 AromaticContact CE2-CD2 3.98Å; Y159-F180 HydrophobicContact CE2-CD2 3.98Å; Y159-F180 AromaticContact CE2-CE1 3.99Å; Y159-F180 HydrophobicContact CE2-CE1 3.99Å; Y159-F180 AromaticContact CE2-CE2 3.89Å; Y159-F180 HydrophobicContact CE2-CE2 3.89Å; Y159-F180 HydrophobicContact CE2-CG 4.07Å; Y159-F180 AromaticContact CE2-CZ 3.89Å; Y159-F180 HydrophobicContact CE2-CZ 3.89Å; Y159-F182 CarbonylContact O-C 3.6Å; Y159-A183 HydrophobicContact CD2-CB 4.48Å; Y159-A183 WeakPolarHBondContact O-CA 3.4Å; Y159-A183 PolarHBondContact O-N 3.42Å; Y159-D215 PolarHBondContact N-OD1 3.18Å; Y159-D215 PolarHBondContact N-OD2 3.47Å | ||
| 160 | R | 95.4 | Very high | 95.9 | Very high | 26 Ų | 26 | 28.5 Ų | 28.5 | 10% | 0.098 | 14% | 0.144 | C | C | . | . | trans | 66.2 | 3.9 | 170 | -51.8 | -168 | -66.9 | 153.6 | 6.6 | 117.8 | V158 F182 C194 H210 D215 | V158-R160 HydrophobicContact CB-CG 3.96Å; V158-R160 HydrophobicContact CG1-CG 3.42Å; V158-R160 VanDerWaalsContact CG1-CG 3.42Å; R160-F182 HydrophobicContact CB-CB 4.34Å; R160-F182 PolarHBondContact NE-O 3.18Å; R160-F182 PolarHBondContact NH2-O 2.8Å; R160-C194 PolarHBondContact NH1-SG 2.65Å; R160-C194 VanDerWaalsContact NH1-SG 3.37Å; R160-H210 WeakPolarHBondContact CD-NE2 3.36Å; R160-D215 PolarHBondContact N-OD1 3.07Å | ||
| 161 | D | 94.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | trans | -143.8 | 44.2 | 178.1 | -161 | 41.7 | 0 | 0 | 0 | 112.1 | Y159 K163 N166 F182 | Y159-D161 VanDerWaalsContact CE1-O 3.27Å; Y159-D161 WeakPolarHBondContact CE1-O 3.46Å; Y159-D161 PolarHBondContact O-N 2.82Å; D161-K163 PolarHBondContact O-N 3.22Å; D161-K163 IonicContact OD1-NZ 3.93Å; D161-K163 PolarHBondContact OD1-NZ 3.32Å; D161-K163 IonicContact OD2-NZ 3.69Å; D161-K163 PolarHBondContact OD2-NZ 3.43Å; D161-N166 PolarHBondContact O-ND2 2.95Å; D161-N166 PolarHBondContact OD2-ND2 3.41Å; D161-F182 HydrophobicContact CB-CB 4.12Å; D161-F182 HydrophobicContact CB-CD2 3.56Å; D161-F182 HydrophobicContact CB-CE2 4.44Å; D161-F182 HydrophobicContact CB-CG 4.28Å; D161-F182 VanDerWaalsContact CG-CD2 3.43Å; D161-F182 WeakPolarHBondContact OD2-CD2 2.98Å | ||
| 162 | L | 95.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | trans | -71.8 | 111.4 | 173.5 | -173.2 | 70.2 | 0 | 0 | 0 | 109.6 | I145 L149 Y159 L167 M177 T218 I222 | I145-L162 HydrophobicContact CG2-CD1 4.31Å; I145-L162 HydrophobicContact CG2-CD2 4.02Å; L149-L162 HydrophobicContact CD1-CD2 4.42Å; Y159-L162 HydrophobicContact CD1-CB 3.94Å; Y159-L162 HydrophobicContact CD1-CD1 4.48Å; Y159-L162 HydrophobicContact CE1-CB 4.01Å; Y159-L162 HydrophobicContact CE1-CD1 4.2Å; L162-L167 HydrophobicContact CD1-CD1 4.31Å; L162-L167 HydrophobicContact CD1-CD2 3.75Å; L162-L167 HydrophobicContact CD1-CG 4.32Å; L162-M177 HydrophobicContact CD1-CE 3.95Å; L162-T218 HydrophobicContact CB-CG2 3.65Å; L162-T218 HydrophobicContact CD2-CG2 4.26Å; L162-T218 HydrophobicContact CG-CG2 4.19Å; L162-T218 WeakPolarHBondContact O-CG2 3.05Å; L162-I222 HydrophobicContact CD2-CG1 4.12Å; L162-I222 HydrophobicContact CG-CG1 4.04Å | ||
| 163 | K | 93.8 | Very high | 95.7 | Very high | 30 Ų | 30 | 26.8 Ų | 26.8 | 13% | 0.13 | 14% | 0.139 | C | C | . | . | trans | -153.6 | 161.1 | -177.8 | 65.4 | -177.8 | -171.8 | -139 | 0 | 110.7 | D161 E165 N166 T196 Y199 | D161-K163 PolarHBondContact O-N 3.22Å; D161-K163 IonicContact OD1-NZ 3.93Å; D161-K163 PolarHBondContact OD1-NZ 3.32Å; D161-K163 IonicContact OD2-NZ 3.69Å; D161-K163 PolarHBondContact OD2-NZ 3.43Å; K163-E165 VanDerWaalsContact C-N 3.27Å; K163-E165 WeakPolarHBondContact CB-OE2 3.43Å; K163-E165 VanDerWaalsContact CD-OE2 3.29Å; K163-E165 WeakPolarHBondContact CD-OE2 3.42Å; K163-E165 WeakPolarHBondContact CG-OE2 3.26Å; K163-E165 PolarHBondContact O-N 2.86Å; K163-N166 HydrophobicContact CG-CB 4.12Å; K163-N166 PolarHBondContact O-N 3.46Å; K163-T196 VanDerWaalsContact CD-OG1 3.23Å; K163-T196 WeakPolarHBondContact CD-OG1 3.1Å; K163-Y199 HydrophobicContact CB-CD2 4.3Å; K163-Y199 HydrophobicContact CB-CE2 4.33Å | ||
| 164 | P | 92.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 25.9 Ų | 25.9 | 5% | 0.045 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -44 | -47.1 | -179.2 | -38.2 | 42.2 | 0 | 0 | 0 | 115.5 | F124 N166 L167 Y199 I222 | F124-P164 HydrophobicContact CB-CB 3.69Å; F124-P164 HydrophobicContact CD1-CB 3.58Å; F124-P164 HydrophobicContact CD1-CG 3.5Å; F124-P164 HydrophobicContact CD2-CB 3.73Å; F124-P164 HydrophobicContact CD2-CG 4.2Å; F124-P164 HydrophobicContact CE1-CB 4.12Å; F124-P164 HydrophobicContact CE1-CG 3.61Å; F124-P164 HydrophobicContact CE2-CB 4.26Å; F124-P164 HydrophobicContact CE2-CG 4.29Å; F124-P164 HydrophobicContact CG-CB 3.37Å; F124-P164 HydrophobicContact CG-CG 3.83Å; F124-P164 HydrophobicContact CZ-CB 4.44Å; F124-P164 HydrophobicContact CZ-CG 4.01Å; P164-N166 PolarHBondContact O-N 2.87Å; P164-L167 PolarHBondContact O-N 3.08Å; P164-Y199 WeakPolarHBondContact CD-OH 3.29Å; P164-Y199 HydrophobicContact CG-CE1 4.48Å; P164-Y199 WeakPolarHBondContact CG-OH 3.41Å; P164-I222 HydrophobicContact CG-CD1 4.45Å |
| 165 | E | 92.6 | Very high | 96 | Very high | 91 Ų | 91 | 22 Ų | 22 | 43% | 0.425 | 11% | 0.108 | S | C | . | . | G | 310 helix | trans | -68.6 | -21.9 | -174 | -53.2 | 90.8 | 154.5 | 0 | 0 | 112.1 | K163 | K163-E165 VanDerWaalsContact C-N 3.27Å; K163-E165 WeakPolarHBondContact CB-OE2 3.43Å; K163-E165 VanDerWaalsContact CD-OE2 3.29Å; K163-E165 WeakPolarHBondContact CD-OE2 3.42Å; K163-E165 WeakPolarHBondContact CG-OE2 3.26Å; K163-E165 PolarHBondContact O-N 2.86Å |
| 166 | N | 96.3 | Very high | 96.1 | Very high | 7 Ų | 7 | 19.6 Ų | 19.6 | 4% | 0.037 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -94.1 | 4.2 | -178.2 | -70.4 | -10 | 0 | 0 | 0 | 113.4 | Y159 D161 K163 P164 M177 T178 D179 | Y159-N166 VanDerWaalsContact OH-CB 3.29Å; Y159-N166 WeakPolarHBondContact OH-CB 3.4Å; Y159-N166 PolarHBondContact OH-ND2 3.26Å; D161-N166 PolarHBondContact O-ND2 2.95Å; D161-N166 PolarHBondContact OD2-ND2 3.41Å; K163-N166 HydrophobicContact CG-CB 4.12Å; K163-N166 PolarHBondContact O-N 3.46Å; P164-N166 PolarHBondContact O-N 2.87Å; N166-M177 WeakPolarHBondContact O-CA 3.26Å; N166-T178 HydrophobicContact CB-CG2 4.37Å; N166-T178 PolarHBondContact O-N 3.37Å; N166-D179 WeakPolarHBondContact OD1-CB 3.46Å |
| 167 | L | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 99.1 | 180 | -61.3 | 175.3 | 0 | 0 | 0 | 109.9 | L123 F124 I145 L162 P164 L175 M177 I222 | L123-L167 HydrophobicContact CB-CB 4.35Å; L123-L167 WeakPolarHBondContact CB-O 3.35Å; L123-L167 PolarHBondContact N-O 2.97Å; F124-L167 HydrophobicContact CE2-CD1 4.01Å; I145-L167 HydrophobicContact CD1-CD1 3.91Å; I145-L167 HydrophobicContact CD1-CD2 4.28Å; I145-L167 HydrophobicContact CG1-CD2 4.19Å; L162-L167 HydrophobicContact CD1-CD1 4.31Å; L162-L167 HydrophobicContact CD1-CD2 3.75Å; L162-L167 HydrophobicContact CD1-CG 4.32Å; P164-L167 PolarHBondContact O-N 3.08Å; L167-L175 HydrophobicContact CB-CD1 4.28Å; L167-L175 HydrophobicContact CD2-CD1 4.08Å; L167-L175 HydrophobicContact CD2-CD2 3.93Å; L167-L175 HydrophobicContact CD2-CG 4.35Å; L167-M177 HydrophobicContact CD2-CG 3.92Å; L167-I222 HydrophobicContact CD1-CD1 4.24Å; L167-I222 HydrophobicContact CD1-CG2 4.04Å |
| 168 | L | 98 | Very high | 96.3 | Very high | 15 Ų | 15 | 16.6 Ų | 16.6 | 8% | 0.079 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 156.9 | -178.1 | -54.6 | -177.8 | 0 | 0 | 0 | 111.6 | V118 G121 E122 L175 K176 T178 | V118-L168 HydrophobicContact CB-CB 4.12Å; V118-L168 HydrophobicContact CB-CD1 4.02Å; V118-L168 HydrophobicContact CG1-CB 3.52Å; V118-L168 HydrophobicContact CG1-CD1 4.35Å; G121-L168 CarbonylContact O-C 3.46Å; G121-L168 WeakPolarHBondContact O-CA 3.43Å; E122-L168 HydrophobicContact CG-CD2 3.99Å; L168-L175 CarbonylContact O-C 3.48Å; L168-L175 WeakPolarHBondContact O-CA 3.47Å; L168-K176 PolarHBondContact N-O 3.18Å; L168-K176 PolarHBondContact O-N 3.15Å; L168-T178 HydrophobicContact CD1-CG2 3.9Å; L168-T178 HydrophobicContact CG-CG2 3.97Å |
| 169 | L | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.4 | 172.2 | -62.4 | -172.1 | 0 | 0 | 0 | 111.4 | V118 G120 G121 L123 Y126 Y141 H174 I312 P314 | V118-L169 WeakPolarHBondContact CG1-O 3.37Å; G120-L169 WeakPolarHBondContact CA-O 3.19Å; G120-L169 PolarHBondContact N-O 3.46Å; G121-L169 PolarHBondContact O-N 3.32Å; L123-L169 HydrophobicContact CB-CD2 4.35Å; L123-L169 HydrophobicContact CB-CG 4.32Å; L123-L169 HydrophobicContact CD1-CD1 4.06Å; L123-L169 HydrophobicContact CD1-CD2 4.16Å; L123-L169 HydrophobicContact CD1-CG 4.34Å; Y126-L169 HydrophobicContact CD2-CD1 3.91Å; Y126-L169 HydrophobicContact CE2-CD1 3.79Å; Y126-L169 HydrophobicContact CE2-CG 4.47Å; Y141-L169 HydrophobicContact CD1-CD2 4.22Å; Y141-L169 HydrophobicContact CE1-CD2 3.51Å; L169-H174 WeakPolarHBondContact CA-O 3.18Å; L169-I312 HydrophobicContact CD1-CB 4.21Å; L169-I312 HydrophobicContact CD1-CG2 4.1Å; L169-P314 HydrophobicContact CB-CG 3.87Å; L169-P314 HydrophobicContact CD1-CG 4.35Å |
| 170 | D | 96.4 | Very high | 96.1 | Very high | 7 Ų | 7 | 18.9 Ų | 18.9 | 4% | 0.037 | 9% | 0.092 | C | C | . | . | trans | -75.4 | 174 | 170.1 | 79 | 17.2 | 0 | 0 | 0 | 112.2 | V118 S172 G173 H174 K176 R306 P314 | V118-D170 HydrophobicContact CG1-CB 4.29Å; D170-S172 PolarHBondContact O-N 3.47Å; D170-S172 WeakPolarHBondContact OD1-CA 3.17Å; D170-S172 PolarHBondContact OD1-N 3.02Å; D170-S172 PolarHBondContact OD1-OG 3.4Å; D170-G173 PolarHBondContact O-N 2.97Å; D170-G173 PolarHBondContact OD1-N 3.43Å; D170-H174 PolarHBondContact N-O 3.08Å; D170-H174 PolarHBondContact OD1-N 3.33Å; D170-K176 HydrophobicContact CB-CG 4.41Å; D170-R306 IonicContact OD1-NH2 3.49Å; D170-R306 IonicContact OD2-CZ 3.58Å; D170-R306 IonicContact OD2-NH1 3.02Å; D170-R306 PolarHBondContact OD2-NH1 3.04Å; D170-R306 IonicContact OD2-NH2 3.62Å; D170-R306 PolarHBondContact OD2-NH2 2.88Å; D170-P314 WeakPolarHBondContact O-CG 3.33Å | ||
| 171 | Y | 94.6 | Very high | 96 | Very high | 78 Ų | 78 | 18.4 Ų | 18.4 | 31% | 0.306 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -23.5 | -177.2 | 76.1 | -91.5 | 0 | 0 | 0 | 114.1 | Y5 | Y5-Y171 HydrophobicContact CD1-CE2 4.44Å; Y5-Y171 HydrophobicContact CD2-CD2 4.08Å; Y5-Y171 AromaticContact CD2-CE2 3.33Å; Y5-Y171 HydrophobicContact CD2-CE2 3.33Å; Y5-Y171 HydrophobicContact CE1-CD2 4.47Å; Y5-Y171 AromaticContact CE2-CD2 3.8Å; Y5-Y171 HydrophobicContact CE2-CD2 3.8Å; Y5-Y171 AromaticContact CE2-CE2 3.48Å; Y5-Y171 HydrophobicContact CE2-CE2 3.48Å; Y5-Y171 VanDerWaalsContact CE2-CE2 3.48Å; Y5-Y171 AromaticContact CG-CE2 3.84Å; Y5-Y171 HydrophobicContact CG-CE2 3.84Å |
| 172 | S | 95.5 | Very high | 95.9 | Very high | 27 Ų | 27 | 22 Ų | 22 | 19% | 0.189 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -3.4 | -179.6 | 61.6 | 0 | 0 | 0 | 0 | 113.2 | D170 H174 R306 P310 I313 | D170-S172 PolarHBondContact O-N 3.47Å; D170-S172 WeakPolarHBondContact OD1-CA 3.17Å; D170-S172 PolarHBondContact OD1-N 3.02Å; D170-S172 PolarHBondContact OD1-OG 3.4Å; S172-H174 PolarHBondContact OG-CD2 3.28Å; S172-R306 PolarHBondContact OG-NH2 3.21Å; S172-P310 VanDerWaalsContact O-CG 3.25Å; S172-P310 WeakPolarHBondContact O-CG 3.36Å; S172-I313 WeakPolarHBondContact O-CD1 3.27Å |
| 173 | G | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 93.6 | 6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y141 D170 P310 I312 | Y141-G173 WeakPolarHBondContact CE1-O 3.46Å; Y141-G173 PolarHBondContact OH-O 2.85Å; D170-G173 PolarHBondContact O-N 2.97Å; D170-G173 PolarHBondContact OD1-N 3.43Å; G173-P310 WeakPolarHBondContact O-CB 3.41Å; G173-I312 WeakPolarHBondContact CA-O 3.32Å |
| 174 | H | 98.4 | Very high | 95.9 | Very high | 9 Ų | 9 | 24 Ų | 24 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | trans | -85.8 | 147.4 | 176.3 | -73.2 | -78.1 | 0 | 0 | 0 | 111.4 | F97 F140 E144 L169 D170 S172 R306 | F97-H174 HydrophobicContact CE1-CB 4.43Å; F140-H174 AromaticContact CZ-CE1 3.85Å; F140-H174 AromaticContact CZ-ND1 3.75Å; E144-H174 IonicContact OE1-CE1 2.66Å; E144-H174 IonicContact OE1-CG 3.14Å; E144-H174 IonicContact OE1-ND1 2.86Å; E144-H174 PolarHBondContact OE1-ND1 2.92Å; L169-H174 WeakPolarHBondContact CA-O 3.18Å; D170-H174 PolarHBondContact N-O 3.08Å; D170-H174 PolarHBondContact OD1-N 3.33Å; S172-H174 PolarHBondContact OG-CD2 3.28Å; H174-R306 PolarHBondContact CD2-NE 3.01Å | ||
| 175 | L | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 145 | -176.8 | -169.8 | 138.7 | 0 | 0 | 0 | 112.5 | F97 L123 Y141 E144 I145 L167 L168 M177 | F97-L175 VanDerWaalsContact CA-O 3.29Å; F97-L175 WeakPolarHBondContact CA-O 3.36Å; F97-L175 WeakPolarHBondContact CD1-O 3.49Å; L123-L175 HydrophobicContact CD2-CD1 4.04Å; Y141-L175 HydrophobicContact CD1-CB 4.25Å; Y141-L175 HydrophobicContact CD1-CD1 4.13Å; E144-L175 HydrophobicContact CB-CB 4.13Å; E144-L175 WeakPolarHBondContact OE2-CB 3.49Å; E144-L175 PolarHBondContact OE2-N 3.22Å; I145-L175 HydrophobicContact CD1-CD1 4.08Å; I145-L175 HydrophobicContact CG1-CD1 3.84Å; I145-L175 HydrophobicContact CG1-CD2 4.05Å; L167-L175 HydrophobicContact CB-CD1 4.28Å; L167-L175 HydrophobicContact CD2-CD1 4.08Å; L167-L175 HydrophobicContact CD2-CD2 3.93Å; L167-L175 HydrophobicContact CD2-CG 4.35Å; L168-L175 CarbonylContact O-C 3.48Å; L168-L175 WeakPolarHBondContact O-CA 3.47Å; L175-M177 HydrophobicContact CD2-CG 3.82Å |
| 176 | K | 98.4 | Very high | 96.1 | Very high | 11 Ų | 11 | 23.6 Ų | 23.6 | 5% | 0.048 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 113.1 | 169.9 | -69.1 | -71.9 | -170.3 | 160.4 | 0 | 108.8 | P96 F97 E116 V118 L168 D170 | P96-K176 WeakPolarHBondContact O-CD 3.49Å; P96-K176 WeakPolarHBondContact O-CE 3.35Å; P96-K176 PolarHBondContact O-NZ 2.99Å; F97-K176 WeakPolarHBondContact O-CA 3.43Å; E116-K176 WeakPolarHBondContact OE1-CE 3.35Å; E116-K176 IonicContact OE1-NZ 3.1Å; E116-K176 PolarHBondContact OE1-NZ 2.94Å; E116-K176 WeakPolarHBondContact OE2-CE 3.18Å; E116-K176 IonicContact OE2-NZ 3.56Å; E116-K176 PolarHBondContact OE2-NZ 2.88Å; V118-K176 HydrophobicContact CG1-CB 4.02Å; V118-K176 HydrophobicContact CG1-CG 4.01Å; V118-K176 HydrophobicContact CG2-CB 3.95Å; V118-K176 HydrophobicContact CG2-CG 3.9Å; L168-K176 PolarHBondContact N-O 3.18Å; L168-K176 PolarHBondContact O-N 3.15Å; D170-K176 HydrophobicContact CB-CG 4.41Å |
| 177 | M | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 129.6 | 166.2 | -66 | -178 | 63.6 | 0 | 0 | 109.4 | F97 V99 A148 L149 Y159 L162 N166 L167 L175 | F97-M177 PolarHBondContact O-N 3.03Å; V99-M177 WeakPolarHBondContact CG1-O 3.33Å; V99-M177 PolarHBondContact N-O 2.89Å; A148-M177 HydrophobicContact CB-CG 4.41Å; A148-M177 HydrophobicContact CB-SD 3.46Å; A148-M177 WeakPolarHBondContact CB-SD 3.29Å; L149-M177 HydrophobicContact CD2-CE 4.1Å; Y159-M177 HydrophobicContact CD1-CE 3.37Å; Y159-M177 HydrophobicContact CD2-CE 4.02Å; Y159-M177 HydrophobicContact CE1-CE 3.37Å; Y159-M177 HydrophobicContact CE2-CE 4.05Å; Y159-M177 HydrophobicContact CG-CE 3.71Å; L162-M177 HydrophobicContact CD1-CE 3.95Å; N166-M177 WeakPolarHBondContact O-CA 3.26Å; L167-M177 HydrophobicContact CD2-CG 3.92Å; L175-M177 HydrophobicContact CD2-CG 3.82Å |
| 178 | T | 96.9 | Very high | 95.2 | Very high | 31 Ų | 31 | 38.9 Ų | 38.9 | 19% | 0.19 | 19% | 0.19 | C | C | . | . | trans | -118.2 | -172.9 | 176.8 | -169.3 | 0 | 0 | 0 | 0 | 111.1 | Y159 N166 L168 | Y159-T178 PolarHBondContact OH-O 3.38Å; N166-T178 HydrophobicContact CB-CG2 4.37Å; N166-T178 PolarHBondContact O-N 3.37Å; L168-T178 HydrophobicContact CD1-CG2 3.9Å; L168-T178 HydrophobicContact CG-CG2 3.97Å | ||
| 179 | D | 93.4 | Very high | 94.9 | Very high | 53 Ų | 53 | 44.6 Ų | 44.6 | 28% | 0.283 | 21% | 0.211 | S | C | . | . | trans | 45.4 | 93 | 176.6 | -159.4 | -10.8 | 0 | 0 | 0 | 115.8 | Y159 N166 G181 | Y159-D179 VanDerWaalsContact CE2-O 3.26Å; Y159-D179 WeakPolarHBondContact CE2-O 3.42Å; Y159-D179 PolarHBondContact OH-O 3.03Å; N166-D179 WeakPolarHBondContact OD1-CB 3.46Å; D179-G181 PolarHBondContact OD1-N 2.9Å; D179-G181 VanDerWaalsContact OD1-N 3.11Å | ||
| 180 | F | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -101.9 | 20.6 | 179.5 | -78.8 | -108.8 | 0 | 0 | 0 | 111.7 | E86 I89 L90 L93 I98 L152 Y159 F182 A183 | E86-F180 HydrophobicContact CG-CB 4.18Å; I89-F180 HydrophobicContact CG2-CD1 3.97Å; L90-F180 HydrophobicContact CD1-CB 4.31Å; L90-F180 HydrophobicContact CD2-CB 4.08Å; L90-F180 HydrophobicContact CD2-CD2 3.65Å; L90-F180 HydrophobicContact CD2-CE2 4.24Å; L90-F180 HydrophobicContact CD2-CG 3.82Å; L90-F180 HydrophobicContact CG-CB 3.98Å; L90-F180 HydrophobicContact CG-CD2 4.48Å; L90-F180 HydrophobicContact CG-CG 4.22Å; L93-F180 HydrophobicContact CD1-CD1 3.89Å; L93-F180 HydrophobicContact CD1-CE1 3.5Å; L93-F180 VanDerWaalsContact CD1-CE1 3.5Å; L93-F180 HydrophobicContact CD1-CZ 3.97Å; I98-F180 HydrophobicContact CD1-CZ 4.31Å; I98-F180 HydrophobicContact CG1-CZ 4.38Å; I98-F180 HydrophobicContact CG2-CE1 4.47Å; I98-F180 HydrophobicContact CG2-CE2 3.74Å; I98-F180 HydrophobicContact CG2-CZ 3.53Å; L152-F180 HydrophobicContact CD1-CE1 3.83Å; L152-F180 HydrophobicContact CD1-CZ 4.22Å; L152-F180 HydrophobicContact CD2-CE1 3.85Å; Y159-F180 AromaticContact CD2-CD1 3.93Å; Y159-F180 HydrophobicContact CD2-CD1 3.93Å; Y159-F180 AromaticContact CD2-CE1 3.72Å; Y159-F180 HydrophobicContact CD2-CE1 3.72Å; Y159-F180 HydrophobicContact CD2-CE2 4.45Å; Y159-F180 HydrophobicContact CD2-CG 4.37Å; Y159-F180 HydrophobicContact CD2-CZ 4Å; Y159-F180 HydrophobicContact CE2-CD1 4.08Å; Y159-F180 AromaticContact CE2-CD2 3.98Å; Y159-F180 HydrophobicContact CE2-CD2 3.98Å; Y159-F180 AromaticContact CE2-CE1 3.99Å; Y159-F180 HydrophobicContact CE2-CE1 3.99Å; Y159-F180 AromaticContact CE2-CE2 3.89Å; Y159-F180 HydrophobicContact CE2-CE2 3.89Å; Y159-F180 HydrophobicContact CE2-CG 4.07Å; Y159-F180 AromaticContact CE2-CZ 3.89Å; Y159-F180 HydrophobicContact CE2-CZ 3.89Å; F180-F182 PolarHBondContact O-N 3.38Å; F180-A183 HydrophobicContact CB-CB 3.95Å; F180-A183 HydrophobicContact CD1-CB 3.62Å; F180-A183 HydrophobicContact CG-CB 4.22Å; F180-A183 WeakPolarHBondContact O-CB 3.22Å; F180-A183 PolarHBondContact O-N 3.19Å | ||
| 181 | G | 91.9 | Very high | 94.5 | Very high | 16 Ų | 16 | 52 Ų | 52 | 17% | 0.165 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -29.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | D179 | D179-G181 PolarHBondContact OD1-N 2.9Å; D179-G181 VanDerWaalsContact OD1-N 3.11Å |
| 182 | F | 92.3 | Very high | 94.2 | Very high | 77 Ų | 77 | 51 Ų | 51 | 34% | 0.338 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -5.3 | 175.5 | -61 | -65.3 | 0 | 0 | 0 | 114.1 | Y159 R160 D161 F180 C194 | Y159-F182 CarbonylContact O-C 3.6Å; R160-F182 HydrophobicContact CB-CB 4.34Å; R160-F182 PolarHBondContact NE-O 3.18Å; R160-F182 PolarHBondContact NH2-O 2.8Å; D161-F182 HydrophobicContact CB-CB 4.12Å; D161-F182 HydrophobicContact CB-CD2 3.56Å; D161-F182 HydrophobicContact CB-CE2 4.44Å; D161-F182 HydrophobicContact CB-CG 4.28Å; D161-F182 VanDerWaalsContact CG-CD2 3.43Å; D161-F182 WeakPolarHBondContact OD2-CD2 2.98Å; F180-F182 PolarHBondContact O-N 3.38Å; F182-C194 HydrophobicContact CD1-CB 3.53Å; F182-C194 HydrophobicContact CE1-CB 3.77Å; F182-C194 HydrophobicContact CG-CB 4.19Å |
| 183 | A | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -62.5 | 144.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | N85 I89 I157 V158 Y159 F180 | N85-A183 PolarHBondContact ND2-O 3.46Å; I89-A183 HydrophobicContact CD1-CB 3.89Å; I89-A183 WeakPolarHBondContact CD1-O 3.43Å; I89-A183 HydrophobicContact CG2-CB 4.28Å; I157-A183 HydrophobicContact CG2-CB 4.21Å; V158-A183 CarbonylContact O-C 3.53Å; V158-A183 VanDerWaalsContact O-CA 3.26Å; V158-A183 WeakPolarHBondContact O-CA 3.38Å; Y159-A183 HydrophobicContact CD2-CB 4.48Å; Y159-A183 WeakPolarHBondContact O-CA 3.4Å; Y159-A183 PolarHBondContact O-N 3.42Å; F180-A183 HydrophobicContact CB-CB 3.95Å; F180-A183 HydrophobicContact CD1-CB 3.62Å; F180-A183 HydrophobicContact CG-CB 4.22Å; F180-A183 WeakPolarHBondContact O-CB 3.22Å; F180-A183 PolarHBondContact O-N 3.19Å | ||
| 184 | K | 95.2 | Very high | 93.4 | Very high | 75 Ų | 75 | 56.5 Ų | 56.5 | 33% | 0.326 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 142.7 | -176.6 | -172.1 | 175.2 | 177.4 | -178.6 | 0 | 111.9 | I157 V158 V186 T190 | I157-K184 WeakPolarHBondContact CA-O 3.23Å; V158-K184 PolarHBondContact N-O 3.21Å; V158-K184 PolarHBondContact O-N 2.85Å; K184-V186 HydrophobicContact CB-CG2 4.27Å; K184-V186 HydrophobicContact CG-CG2 4.26Å; K184-V186 PolarHBondContact O-N 3.35Å; K184-T190 PolarHBondContact NZ-OG1 3.17Å |
| 185 | H | 95.6 | Very high | 92.7 | Very high | 77 Ų | 77 | 57.3 Ų | 57.3 | 36% | 0.356 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 117.5 | 164.8 | -71.6 | -81.5 | 0 | 0 | 0 | 110.2 | Q92 L155 N156 I157 | Q92-H185 PolarHBondContact NE2-NE2 2.86Å; L155-H185 PolarHBondContact O-ND1 3.29Å; N156-H185 CarbonylContact O-C 3.58Å; N156-H185 VanDerWaalsContact O-CA 3.23Å; N156-H185 WeakPolarHBondContact O-CA 3.48Å; I157-H185 VanDerWaalsContact CG1-CE1 3.41Å; I157-H185 WeakPolarHBondContact CG1-CE1 3.46Å; I157-H185 WeakPolarHBondContact CG1-ND1 3.29Å |
| 186 | V | 93.4 | Very high | 92.1 | Very high | 13 Ų | 13 | 58.9 Ų | 58.9 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | trans | -126.2 | 114.4 | -179.1 | -176.6 | 0 | 0 | 0 | 0 | 109 | N156 V158 K184 T190 | N156-V186 PolarHBondContact O-N 3.44Å; V158-V186 HydrophobicContact CB-CG2 4.2Å; V158-V186 HydrophobicContact CG2-CB 3.76Å; V158-V186 HydrophobicContact CG2-CG2 3.75Å; K184-V186 HydrophobicContact CB-CG2 4.27Å; K184-V186 HydrophobicContact CG-CG2 4.26Å; K184-V186 PolarHBondContact O-N 3.35Å; V186-T190 HydrophobicContact CG2-CG2 3.81Å | ||
| 187 | K | 87.5 | Confident | 91.6 | Very high | 193 Ų | 193 | 59.5 Ų | 59.5 | 84% | 0.839 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -79.5 | -49.3 | 174.3 | -69 | -174 | 178.6 | -177.5 | 0 | 112 | ||
| 188 | D | 88.2 | Confident | 91.2 | Very high | 135 Ų | 135 | 61.7 Ų | 61.7 | 72% | 0.722 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -117.6 | -74.7 | 179.5 | -69.8 | -38.7 | 0 | 0 | 0 | 111.4 | N211 | D188-N211 WeakPolarHBondContact O-CB 3.16Š|
| 189 | R | 91.3 | Very high | 91.1 | Very high | 135 Ų | 135 | 61.1 Ų | 61.1 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | trans | -143.2 | 153.5 | -178.6 | -66.9 | -172.4 | 177 | -171.7 | 1.3 | 111.8 | Y191 K208 H210 | R189-Y191 HydrophobicContact CB-CE2 4.35Å; R189-K208 PolarHBondContact NH1-O 2.81Å; R189-H210 WeakPolarHBondContact CA-O 3.09Å | ||
| 190 | T | 92.3 | Very high | 91.1 | Very high | 6 Ų | 6 | 59 Ų | 59 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -126.8 | 152 | 168.2 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | K184 V186 G209 H210 | K184-T190 PolarHBondContact NZ-OG1 3.17Å; V186-T190 HydrophobicContact CG2-CG2 3.81Å; T190-G209 CarbonylContact O-C 3.59Å; T190-G209 VanDerWaalsContact O-CA 3.23Å; T190-G209 WeakPolarHBondContact O-CA 3.48Å; T190-H210 VanDerWaalsContact CG2-NE2 3.26Å; T190-H210 WeakPolarHBondContact CG2-NE2 3.4Å; T190-H210 PolarHBondContact N-O 3.46Å; T190-H210 PolarHBondContact O-N 3.08Å; T190-H210 PolarHBondContact O-ND1 2.53Å; T190-H210 VanDerWaalsContact O-ND1 3.15Å |
| 191 | Y | 93.5 | Very high | 91.1 | Very high | 156 Ų | 156 | 59 Ų | 59 | 61% | 0.612 | 29% | 0.291 | S | S | * | . | trans | -117.6 | 0.5 | -169.9 | -64.5 | -92.1 | 0 | 0 | 0 | 113.7 | R189 L193 G209 | R189-Y191 HydrophobicContact CB-CE2 4.35Å; Y191-L193 PolarHBondContact O-N 3Å; Y191-G209 VanDerWaalsContact CD1-CA 3.46Å | ||
| 192 | S | 88 | Confident | 91.2 | Very high | 57 Ų | 57 | 58.3 Ų | 58.3 | 40% | 0.399 | 28% | 0.284 | S | S | . | . | trans | -67.7 | 121.9 | -179.6 | -49.5 | 0 | 0 | 0 | 0 | 111 | C194 H210 | S192-C194 PolarHBondContact O-N 3.35Å; S192-H210 PolarHBondContact O-CE1 3.35Å; S192-H210 VanDerWaalsContact O-CE1 3.25Å | ||
| 193 | L | 88.9 | Confident | 91.3 | Very high | 126 Ų | 126 | 54.9 Ų | 54.9 | 66% | 0.66 | 27% | 0.269 | S | S | * | . | trans | -72.6 | 108.7 | 169.4 | 179.9 | 63.8 | 0 | 0 | 0 | 109 | Y191 L200 I204 | Y191-L193 PolarHBondContact O-N 3Å; L193-L200 HydrophobicContact CD1-CD1 4.22Å; L193-I204 HydrophobicContact CD1-CG2 3.66Å | ||
| 194 | C | 86.9 | Confident | 91.2 | Very high | 17 Ų | 17 | 55.7 Ų | 55.7 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | trans | -151 | 158.3 | 177.5 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | R160 F182 S192 L200 | R160-C194 PolarHBondContact NH1-SG 2.65Å; R160-C194 VanDerWaalsContact NH1-SG 3.37Å; F182-C194 HydrophobicContact CD1-CB 3.53Å; F182-C194 HydrophobicContact CE1-CB 3.77Å; F182-C194 HydrophobicContact CG-CB 4.19Å; S192-C194 PolarHBondContact O-N 3.35Å; C194-L200 WeakPolarHBondContact O-CD2 3.2Å | ||
| 195 | G | 84.3 | Confident | 91 | Very high | 26 Ų | 26 | 54.5 Ų | 54.5 | 27% | 0.268 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 113 | 171.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 196 | T | 86.3 | Confident | 90.8 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | trans | -82.2 | 132.2 | 178.6 | -62.3 | 0 | 0 | 0 | 0 | 110.7 | K163 E198 Y199 L200 | K163-T196 VanDerWaalsContact CD-OG1 3.23Å; K163-T196 WeakPolarHBondContact CD-OG1 3.1Å; T196-E198 VanDerWaalsContact C-N 3.32Å; T196-E198 VanDerWaalsContact CG2-OE2 3.22Å; T196-E198 WeakPolarHBondContact CG2-OE2 3.41Å; T196-E198 PolarHBondContact O-N 3.05Å; T196-E198 VanDerWaalsContact O-N 3.14Å; T196-Y199 HydrophobicContact CG2-CD2 3.68Å; T196-Y199 HydrophobicContact CG2-CE2 4.02Å; T196-Y199 PolarHBondContact O-N 2.98Å; T196-L200 PolarHBondContact O-N 2.72Å | ||
| 197 | P | 87.3 | Confident | 90.6 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 16% | 0.162 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -45.7 | -46 | -170.6 | -33.5 | 38.2 | 0 | 0 | 0 | 116.3 | Y199 L200 Y244 I247 | P197-Y199 PolarHBondContact O-N 3.45Å; P197-L200 PolarHBondContact O-N 3.15Å; P197-Y244 HydrophobicContact CB-CE1 3.84Å; P197-I247 WeakPolarHBondContact O-CD1 3.3Å |
| 198 | E | 90.5 | Very high | 90.6 | Very high | 45 Ų | 45 | 53.6 Ų | 53.6 | 21% | 0.21 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -66.5 | -21.9 | -177.1 | -60.6 | 88.8 | 155.3 | 0 | 0 | 112.5 | T196 I221 I243 | T196-E198 VanDerWaalsContact C-N 3.32Å; T196-E198 VanDerWaalsContact CG2-OE2 3.22Å; T196-E198 WeakPolarHBondContact CG2-OE2 3.41Å; T196-E198 PolarHBondContact O-N 3.05Å; T196-E198 VanDerWaalsContact O-N 3.14Å; E198-I221 VanDerWaalsContact O-CD1 3.31Å; E198-I221 WeakPolarHBondContact O-CD1 3.11Å; E198-I243 HydrophobicContact CG-CD1 4.29Å |
| 199 | Y | 94.9 | Very high | 90.6 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 8% | 0.075 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -105.2 | -3.8 | -173.9 | -62.9 | -85.3 | 0 | 0 | 0 | 113.1 | K163 P164 T196 P197 T218 I221 I222 E225 | K163-Y199 HydrophobicContact CB-CD2 4.3Å; K163-Y199 HydrophobicContact CB-CE2 4.33Å; P164-Y199 WeakPolarHBondContact CD-OH 3.29Å; P164-Y199 HydrophobicContact CG-CE1 4.48Å; P164-Y199 WeakPolarHBondContact CG-OH 3.41Å; T196-Y199 HydrophobicContact CG2-CD2 3.68Å; T196-Y199 HydrophobicContact CG2-CE2 4.02Å; T196-Y199 PolarHBondContact O-N 2.98Å; P197-Y199 PolarHBondContact O-N 3.45Å; Y199-T218 HydrophobicContact CD1-CG2 3.87Å; Y199-T218 HydrophobicContact CG-CG2 4.22Å; Y199-T218 PolarHBondContact O-OG1 3.02Å; Y199-I221 HydrophobicContact CD1-CB 4.21Å; Y199-I221 HydrophobicContact CD1-CG2 3.43Å; Y199-I221 VanDerWaalsContact CD1-CG2 3.43Å; Y199-I221 HydrophobicContact CE1-CG2 3.49Å; Y199-I221 VanDerWaalsContact CE1-CG2 3.49Å; Y199-I221 HydrophobicContact CG-CG2 4.4Å; Y199-I222 HydrophobicContact CD1-CD1 4.25Å; Y199-I222 HydrophobicContact CE1-CD1 3.68Å; Y199-I222 HydrophobicContact CE1-CG1 4.34Å; Y199-E225 WeakPolarHBondContact CE1-OE2 3.26Å; Y199-E225 PolarHBondContact OH-OE1 3.18Å; Y199-E225 PolarHBondContact OH-OE2 3.11Å |
| 200 | L | 93.9 | Very high | 90.6 | Very high | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | trans | -68.4 | 135.4 | -177.5 | -68.9 | 178.8 | 0 | 0 | 0 | 111.5 | L193 C194 T196 P197 I204 L205 W217 Y244 | L193-L200 HydrophobicContact CD1-CD1 4.22Å; C194-L200 WeakPolarHBondContact O-CD2 3.2Å; T196-L200 PolarHBondContact O-N 2.72Å; P197-L200 PolarHBondContact O-N 3.15Å; L200-I204 HydrophobicContact CD2-CG2 4.17Å; L200-L205 HydrophobicContact CB-CD2 4.06Å; L200-L205 HydrophobicContact CB-CG 4.21Å; L200-L205 HydrophobicContact CD1-CD2 3.55Å; L200-L205 HydrophobicContact CG-CD2 4.45Å; L200-W217 PolarHBondContact O-NE1 2.89Å; L200-W217 VanDerWaalsContact O-NE1 3.15Å; L200-Y244 HydrophobicContact CD1-CE1 4.4Å | ||
| 201 | A | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -75.6 | 148.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E203 I204 L205 A214 W217 | A201-E203 VanDerWaalsContact C-N 3.27Å; A201-E203 VanDerWaalsContact CB-CD 3.47Å; A201-E203 VanDerWaalsContact CB-OE1 3.24Å; A201-E203 WeakPolarHBondContact CB-OE1 3.06Å; A201-E203 WeakPolarHBondContact CB-OE2 3.46Å; A201-E203 PolarHBondContact O-N 3.03Å; A201-I204 HydrophobicContact CB-CD1 4.21Å; A201-I204 HydrophobicContact CB-CG1 4.21Å; A201-I204 WeakPolarHBondContact O-CB 3.35Å; A201-I204 PolarHBondContact O-N 3.02Å; A201-L205 PolarHBondContact O-N 3.09Å; A201-A214 HydrophobicContact CB-CB 4.14Å; A201-W217 HydrophobicContact CB-CB 3.95Å; A201-W217 HydrophobicContact CB-CD2 4.31Å; A201-W217 HydrophobicContact CB-CG 3.74Å | ||
| 202 | P | 95 | Very high | 90.6 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.6 | -38.3 | -176.9 | -27.1 | 32.2 | 0 | 0 | 0 | 114 | I204 L205 Q206 W217 I247 V273 | P202-I204 VanDerWaalsContact C-N 3.27Å; P202-I204 PolarHBondContact O-N 3.15Å; P202-L205 PolarHBondContact O-N 3.45Å; P202-Q206 WeakPolarHBondContact O-CB 3.3Å; P202-Q206 WeakPolarHBondContact O-CG 3.46Å; P202-Q206 PolarHBondContact O-N 2.93Å; P202-W217 HydrophobicContact CG-CE3 4.25Å; P202-W217 HydrophobicContact CG-CH2 3.47Å; P202-W217 VanDerWaalsContact CG-CH2 3.47Å; P202-W217 HydrophobicContact CG-CZ2 3.8Å; P202-W217 HydrophobicContact CG-CZ3 3.71Å; P202-I247 HydrophobicContact CB-CG2 4.38Å; P202-I247 HydrophobicContact CG-CG2 3.83Å; P202-V273 HydrophobicContact CB-CG1 4.01Å; P202-V273 HydrophobicContact CG-CB 4.41Å; P202-V273 HydrophobicContact CG-CG1 4.1Å; P202-V273 HydrophobicContact CG-CG2 4.19Å |
| 203 | E | 94 | Very high | 90.9 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 2% | 0.023 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.9 | -25.5 | 179 | 66.7 | -82.1 | -167.6 | 0 | 0 | 113.5 | A201 G207 K208 H210 L275 R278 | A201-E203 VanDerWaalsContact C-N 3.27Å; A201-E203 VanDerWaalsContact CB-CD 3.47Å; A201-E203 VanDerWaalsContact CB-OE1 3.24Å; A201-E203 WeakPolarHBondContact CB-OE1 3.06Å; A201-E203 WeakPolarHBondContact CB-OE2 3.46Å; A201-E203 PolarHBondContact O-N 3.03Å; E203-G207 PolarHBondContact O-N 3.14Å; E203-K208 HydrophobicContact CB-CB 4.5Å; E203-K208 PolarHBondContact O-N 3.18Å; E203-H210 HydrophobicContact CG-CB 4.01Å; E203-L275 HydrophobicContact CB-CD1 4.18Å; E203-L275 HydrophobicContact CG-CD1 4.27Å; E203-L275 HydrophobicContact CG-CD2 4.41Å; E203-R278 VanDerWaalsContact CD-NH1 3.33Å; E203-R278 IonicContact OE1-CZ 3.75Å; E203-R278 IonicContact OE1-NH1 3.62Å; E203-R278 PolarHBondContact OE1-NH1 2.9Å; E203-R278 IonicContact OE1-NH2 3.88Å; E203-R278 IonicContact OE2-CZ 3.42Å; E203-R278 IonicContact OE2-NH1 3.6Å; E203-R278 PolarHBondContact OE2-NH1 3.07Å; E203-R278 VanDerWaalsContact OE2-NH1 3.16Å; E203-R278 IonicContact OE2-NH2 2.79Å; E203-R278 PolarHBondContact OE2-NH2 2.75Å |
| 204 | I | 93.9 | Very high | 91.2 | Very high | 16 Ų | 16 | 29.4 Ų | 29.4 | 8% | 0.082 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -72.7 | -47.5 | 174.2 | -57 | -178 | 0 | 0 | 0 | 109.1 | L193 L200 A201 P202 Q206 G207 H210 A214 | L193-I204 HydrophobicContact CD1-CG2 3.66Å; L200-I204 HydrophobicContact CD2-CG2 4.17Å; A201-I204 HydrophobicContact CB-CD1 4.21Å; A201-I204 HydrophobicContact CB-CG1 4.21Å; A201-I204 WeakPolarHBondContact O-CB 3.35Å; A201-I204 PolarHBondContact O-N 3.02Å; P202-I204 VanDerWaalsContact C-N 3.27Å; P202-I204 PolarHBondContact O-N 3.15Å; I204-Q206 PolarHBondContact O-N 3.31Å; I204-G207 PolarHBondContact O-N 3.34Å; I204-G207 VanDerWaalsContact O-N 3.08Å; I204-H210 HydrophobicContact CD1-CB 4.33Å; I204-H210 HydrophobicContact CG1-CB 3.76Å; I204-A214 HydrophobicContact CD1-CB 3.9Å |
| 205 | L | 91.7 | Very high | 91.7 | Very high | 51 Ų | 51 | 28.6 Ų | 28.6 | 27% | 0.267 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -59.6 | -36.2 | 176.4 | -64.3 | 178.2 | 0 | 0 | 0 | 112.1 | L200 A201 P202 G207 Y244 I247 | L200-L205 HydrophobicContact CB-CD2 4.06Å; L200-L205 HydrophobicContact CB-CG 4.21Å; L200-L205 HydrophobicContact CD1-CD2 3.55Å; L200-L205 HydrophobicContact CG-CD2 4.45Å; A201-L205 PolarHBondContact O-N 3.09Å; P202-L205 PolarHBondContact O-N 3.45Å; L205-G207 VanDerWaalsContact C-N 3.29Å; L205-G207 PolarHBondContact O-N 2.93Å; L205-Y244 HydrophobicContact CD1-CD1 3.88Å; L205-Y244 HydrophobicContact CD1-CG 4.2Å; L205-Y244 HydrophobicContact CD2-CD1 3.65Å; L205-Y244 HydrophobicContact CD2-CE1 3.74Å; L205-Y244 HydrophobicContact CD2-CG 4.09Å; L205-Y244 HydrophobicContact CG-CD1 4.45Å; L205-I247 HydrophobicContact CD1-CB 3.96Å; L205-I247 HydrophobicContact CD1-CD1 4.2Å; L205-I247 HydrophobicContact CD1-CG2 3.56Å |
| 206 | Q | 89.6 | Confident | 92.3 | Very high | 90 Ų | 90 | 27.5 Ų | 27.5 | 42% | 0.421 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -3.2 | 179.7 | -66.8 | 169.8 | 7.8 | 0 | 0 | 113.6 | P202 I204 K208 | P202-Q206 WeakPolarHBondContact O-CB 3.3Å; P202-Q206 WeakPolarHBondContact O-CG 3.46Å; P202-Q206 PolarHBondContact O-N 2.93Å; I204-Q206 PolarHBondContact O-N 3.31Å; Q206-K208 HydrophobicContact CB-CD 4.09Å; Q206-K208 HydrophobicContact CB-CG 3.97Å; Q206-K208 PolarHBondContact O-N 3.05Å |
| 207 | G | 89.7 | Confident | 92.8 | Very high | 50 Ų | 50 | 26 Ų | 26 | 52% | 0.515 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 20 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E203 I204 L205 G209 | E203-G207 PolarHBondContact O-N 3.14Å; I204-G207 PolarHBondContact O-N 3.34Å; I204-G207 VanDerWaalsContact O-N 3.08Å; L205-G207 VanDerWaalsContact C-N 3.29Å; L205-G207 PolarHBondContact O-N 2.93Å; G207-G209 PolarHBondContact O-N 3.08Å |
| 208 | K | 88.4 | Confident | 93.3 | Very high | 124 Ų | 124 | 25.3 Ų | 25.3 | 54% | 0.539 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -77.7 | 1 | -175.6 | -71.4 | 179.5 | 177.3 | 168.7 | 0 | 114.1 | R189 E203 Q206 | R189-K208 PolarHBondContact NH1-O 2.81Å; E203-K208 HydrophobicContact CB-CB 4.5Å; E203-K208 PolarHBondContact O-N 3.18Å; Q206-K208 HydrophobicContact CB-CD 4.09Å; Q206-K208 HydrophobicContact CB-CG 3.97Å; Q206-K208 PolarHBondContact O-N 3.05Å |
| 209 | G | 87.2 | Confident | 93.7 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | trans | 74.4 | 148.8 | -167 | 0 | 0 | 0 | 0 | 0 | 111.4 | T190 Y191 G207 | T190-G209 CarbonylContact O-C 3.59Å; T190-G209 VanDerWaalsContact O-CA 3.23Å; T190-G209 WeakPolarHBondContact O-CA 3.48Å; Y191-G209 VanDerWaalsContact CD1-CA 3.46Å; G207-G209 PolarHBondContact O-N 3.08Å | ||
| 210 | H | 91.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.019 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | -134.7 | 163.1 | -177.8 | 60 | -83.2 | 0 | 0 | 0 | 111.3 | R160 R189 T190 S192 E203 I204 A214 | R160-H210 WeakPolarHBondContact CD-NE2 3.36Å; R189-H210 WeakPolarHBondContact CA-O 3.09Å; T190-H210 VanDerWaalsContact CG2-NE2 3.26Å; T190-H210 WeakPolarHBondContact CG2-NE2 3.4Å; T190-H210 PolarHBondContact N-O 3.46Å; T190-H210 PolarHBondContact O-N 3.08Å; T190-H210 PolarHBondContact O-ND1 2.53Å; T190-H210 VanDerWaalsContact O-ND1 3.15Å; S192-H210 PolarHBondContact O-CE1 3.35Å; S192-H210 VanDerWaalsContact O-CE1 3.25Å; E203-H210 HydrophobicContact CG-CB 4.01Å; I204-H210 HydrophobicContact CD1-CB 4.33Å; I204-H210 HydrophobicContact CG1-CB 3.76Å; H210-A214 HydrophobicContact CB-CB 4.29Å |
| 211 | N | 92.6 | Very high | 94 | Very high | 38 Ų | 38 | 21.9 Ų | 21.9 | 20% | 0.203 | 12% | 0.118 | C | C | . | . | trans | -137.4 | -157.2 | 177.7 | 66.4 | 2.6 | 0 | 0 | 0 | 109.1 | D188 A213 A214 | D188-N211 WeakPolarHBondContact O-CB 3.16Å; N211-A213 PolarHBondContact O-N 3.18Å; N211-A213 VanDerWaalsContact O-N 3.15Å; N211-A213 WeakPolarHBondContact OD1-CB 3.5Å; N211-A213 PolarHBondContact OD1-N 3.43Å; N211-A214 WeakPolarHBondContact O-CB 3.44Å; N211-A214 PolarHBondContact O-N 3.32Å | ||
| 212 | H | 94.4 | Very high | 94.2 | Very high | 60 Ų | 60 | 21.9 Ų | 21.9 | 28% | 0.278 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -21.1 | 178.9 | 60.6 | -92.6 | 0 | 0 | 0 | 114.8 | H153 V158 A214 D215 G280 | H153-H212 HydrophobicContact CB-CB 4.5Å; V158-H212 HydrophobicContact CG2-CB 4.19Å; H212-A214 PolarHBondContact O-N 3.21Å; H212-A214 VanDerWaalsContact O-N 3.16Å; H212-D215 PolarHBondContact O-N 3.41Å; H212-G280 PolarHBondContact CD2-O 3.42Å; H212-G280 PolarHBondContact NE2-O 2.84Å |
| 213 | A | 94.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.8 | -20.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N211 W217 L275 R278 S281 | N211-A213 PolarHBondContact O-N 3.18Å; N211-A213 VanDerWaalsContact O-N 3.15Å; N211-A213 WeakPolarHBondContact OD1-CB 3.5Å; N211-A213 PolarHBondContact OD1-N 3.43Å; A213-W217 PolarHBondContact O-N 3.01Å; A213-L275 HydrophobicContact CB-CD2 3.98Å; A213-R278 PolarHBondContact O-NH1 2.84Å; A213-S281 WeakPolarHBondContact CB-OG 3.4Å |
| 214 | A | 95 | Very high | 94.6 | Very high | 2 Ų | 2 | 22 Ų | 22 | 2% | 0.017 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.9 | -39.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A201 I204 H210 N211 H212 W216 W217 T218 | A201-A214 HydrophobicContact CB-CB 4.14Å; I204-A214 HydrophobicContact CD1-CB 3.9Å; H210-A214 HydrophobicContact CB-CB 4.29Å; N211-A214 WeakPolarHBondContact O-CB 3.44Å; N211-A214 PolarHBondContact O-N 3.32Å; H212-A214 PolarHBondContact O-N 3.21Å; H212-A214 VanDerWaalsContact O-N 3.16Å; A214-W216 PolarHBondContact O-N 2.75Å; A214-W217 WeakPolarHBondContact O-CB 3.45Å; A214-W217 PolarHBondContact O-N 3.4Å; A214-T218 PolarHBondContact O-N 2.59Å; A214-T218 PolarHBondContact O-OG1 3Å; A214-T218 VanDerWaalsContact O-OG1 3.08Å |
| 215 | D | 96.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64 | -33.2 | 177.7 | -67.5 | -23.1 | 0 | 0 | 0 | 111.1 | L149 H153 V158 Y159 R160 H212 T218 T219 | L149-D215 HydrophobicContact CD1-CB 4.08Å; L149-D215 HydrophobicContact CD2-CB 3.97Å; H153-D215 IonicContact CD2-OD2 3.49Å; H153-D215 IonicContact CE1-OD2 3.16Å; H153-D215 IonicContact NE2-OD2 3.5Å; H153-D215 PolarHBondContact NE2-OD2 3.12Å; V158-D215 WeakPolarHBondContact CG1-OD2 3.43Å; Y159-D215 PolarHBondContact N-OD1 3.18Å; Y159-D215 PolarHBondContact N-OD2 3.47Å; R160-D215 PolarHBondContact N-OD1 3.07Å; H212-D215 PolarHBondContact O-N 3.41Å; D215-T218 PolarHBondContact O-N 3.06Å; D215-T219 WeakPolarHBondContact O-CB 3.46Å; D215-T219 PolarHBondContact O-N 2.96Å; D215-T219 PolarHBondContact O-OG1 3.48Å |
| 216 | W | 97.4 | Very high | 95 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 1% | 0.011 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -72.5 | -37.2 | 176.7 | -63.1 | 126 | 0 | 0 | 0 | 113.1 | I146 L149 H153 A214 T218 T219 G220 F270 G280 M286 I289 | I146-W216 HydrophobicContact CB-CZ3 4.41Å; I146-W216 HydrophobicContact CG1-CZ3 4Å; I146-W216 HydrophobicContact CG2-CH2 4.32Å; I146-W216 HydrophobicContact CG2-CZ3 4.38Å; L149-W216 HydrophobicContact CB-CH2 3.75Å; L149-W216 HydrophobicContact CB-CZ2 4.33Å; L149-W216 HydrophobicContact CB-CZ3 4.03Å; L149-W216 HydrophobicContact CD1-CE3 4.13Å; L149-W216 HydrophobicContact CD1-CH2 4.43Å; L149-W216 HydrophobicContact CD1-CZ3 3.88Å; H153-W216 AromaticContact CE1-CE2 3.54Å; H153-W216 AromaticContact CE1-CZ2 3.69Å; H153-W216 AromaticContact CE1-NE1 3.48Å; H153-W216 PolarHBondContact CE1-NE1 3.16Å; H153-W216 AromaticContact ND1-CE2 3.57Å; H153-W216 AromaticContact ND1-CZ2 3.44Å; H153-W216 WeakPolarHBondContact ND1-CZ2 3.47Å; H153-W216 AromaticContact ND1-NE1 3.44Å; H153-W216 PolarHBondContact ND1-NE1 3.47Å; A214-W216 PolarHBondContact O-N 2.75Å; W216-T218 VanDerWaalsContact C-N 3.34Å; W216-T219 WeakPolarHBondContact O-CB 3.44Å; W216-T219 PolarHBondContact O-N 2.83Å; W216-G220 PolarHBondContact O-N 3.3Å; W216-G220 VanDerWaalsContact O-N 3.08Å; W216-F270 HydrophobicContact CB-CD1 3.88Å; W216-F270 HydrophobicContact CB-CE1 3.95Å; W216-F270 HydrophobicContact CD2-CE1 4.25Å; W216-F270 AromaticContact CE3-CE1 3.87Å; W216-F270 HydrophobicContact CE3-CE1 3.87Å; W216-F270 HydrophobicContact CE3-CZ 4.25Å; W216-F270 HydrophobicContact CG-CE1 4.33Å; W216-F270 VanDerWaalsContact O-CD1 3.31Å; W216-F270 WeakPolarHBondContact O-CD1 3.48Å; W216-G280 VanDerWaalsContact CD1-O 3.24Å; W216-M286 HydrophobicContact CH2-CE 3.96Å; W216-M286 HydrophobicContact CH2-SD 4.08Å; W216-M286 HydrophobicContact CZ2-CE 4.26Å; W216-M286 HydrophobicContact CZ2-SD 3.94Å; W216-I289 HydrophobicContact CD2-CD1 3.74Å; W216-I289 HydrophobicContact CE3-CD1 3.87Å; W216-I289 HydrophobicContact CG-CD1 4.36Å; W216-I289 HydrophobicContact CH2-CD1 4.09Å; W216-I289 HydrophobicContact CZ2-CD1 3.94Å; W216-I289 HydrophobicContact CZ3-CD1 4.06Å |
| 217 | W | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57 | -51.2 | 168.3 | 171.4 | -85.6 | 0 | 0 | 0 | 110.6 | L200 A201 P202 A213 A214 T219 G220 I221 F233 I247 L271 V273 | L200-W217 PolarHBondContact O-NE1 2.89Å; L200-W217 VanDerWaalsContact O-NE1 3.15Å; A201-W217 HydrophobicContact CB-CB 3.95Å; A201-W217 HydrophobicContact CB-CD2 4.31Å; A201-W217 HydrophobicContact CB-CG 3.74Å; P202-W217 HydrophobicContact CG-CE3 4.25Å; P202-W217 HydrophobicContact CG-CH2 3.47Å; P202-W217 VanDerWaalsContact CG-CH2 3.47Å; P202-W217 HydrophobicContact CG-CZ2 3.8Å; P202-W217 HydrophobicContact CG-CZ3 3.71Å; A213-W217 PolarHBondContact O-N 3.01Å; A214-W217 WeakPolarHBondContact O-CB 3.45Å; A214-W217 PolarHBondContact O-N 3.4Å; W217-T219 VanDerWaalsContact C-N 3.26Å; W217-T219 PolarHBondContact O-N 3.11Å; W217-G220 WeakPolarHBondContact O-CA 3.48Å; W217-G220 PolarHBondContact O-N 2.57Å; W217-I221 PolarHBondContact O-N 3.41Å; W217-I221 VanDerWaalsContact O-N 3.12Å; W217-F233 AromaticContact CH2-CE2 3.93Å; W217-F233 HydrophobicContact CH2-CE2 3.93Å; W217-F233 HydrophobicContact CH2-CZ 4.02Å; W217-F233 HydrophobicContact CZ2-CD2 4.17Å; W217-F233 AromaticContact CZ2-CE2 3.38Å; W217-F233 HydrophobicContact CZ2-CE2 3.38Å; W217-F233 AromaticContact CZ2-CZ 3.94Å; W217-F233 HydrophobicContact CZ2-CZ 3.94Å; W217-I247 HydrophobicContact CZ2-CG2 3.92Å; W217-L271 HydrophobicContact CD2-CD2 3.93Å; W217-L271 HydrophobicContact CE3-CD2 4.14Å; W217-L271 HydrophobicContact CG-CD2 4.33Å; W217-L271 HydrophobicContact CZ2-CD2 4.4Å; W217-L271 VanDerWaalsContact CZ3-C 3.46Å; W217-L271 HydrophobicContact CZ3-CB 4.33Å; W217-L271 HydrophobicContact CZ3-CD2 4.49Å; W217-L271 WeakPolarHBondContact CZ3-O 3.29Å; W217-L271 VanDerWaalsContact O-CD2 3.29Å; W217-L271 WeakPolarHBondContact O-CD2 3.48Å; W217-V273 HydrophobicContact CH2-CG2 4.19Å; W217-V273 HydrophobicContact CZ3-CG2 4.29Å |
| 218 | T | 97.4 | Very high | 95.7 | Very high | 11 Ų | 11 | 14.3 Ų | 14.3 | 7% | 0.067 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -65.3 | -31.5 | -179.3 | -48.4 | 0 | 0 | 0 | 0 | 112.3 | L162 Y199 A214 D215 W216 G220 I221 I222 | L162-T218 HydrophobicContact CB-CG2 3.65Å; L162-T218 HydrophobicContact CD2-CG2 4.26Å; L162-T218 HydrophobicContact CG-CG2 4.19Å; L162-T218 WeakPolarHBondContact O-CG2 3.05Å; Y199-T218 HydrophobicContact CD1-CG2 3.87Å; Y199-T218 HydrophobicContact CG-CG2 4.22Å; Y199-T218 PolarHBondContact O-OG1 3.02Å; A214-T218 PolarHBondContact O-N 2.59Å; A214-T218 PolarHBondContact O-OG1 3Å; A214-T218 VanDerWaalsContact O-OG1 3.08Å; D215-T218 PolarHBondContact O-N 3.06Å; W216-T218 VanDerWaalsContact C-N 3.34Å; T218-G220 VanDerWaalsContact C-N 3.32Å; T218-G220 PolarHBondContact O-N 3.01Å; T218-I221 WeakPolarHBondContact O-CB 3.19Å; T218-I221 PolarHBondContact O-N 3.46Å; T218-I222 WeakPolarHBondContact O-CG1 3.29Å; T218-I222 PolarHBondContact O-N 3.08Å |
| 219 | T | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 170.3 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | I145 I146 L149 D215 W216 W217 I221 I222 I223 F270 | I145-T219 HydrophobicContact CG2-CG2 4.45Å; I146-T219 HydrophobicContact CG1-CG2 4.41Å; L149-T219 WeakPolarHBondContact CD1-OG1 3.31Å; D215-T219 WeakPolarHBondContact O-CB 3.46Å; D215-T219 PolarHBondContact O-N 2.96Å; D215-T219 PolarHBondContact O-OG1 3.48Å; W216-T219 WeakPolarHBondContact O-CB 3.44Å; W216-T219 PolarHBondContact O-N 2.83Å; W217-T219 VanDerWaalsContact C-N 3.26Å; W217-T219 PolarHBondContact O-N 3.11Å; T219-I221 VanDerWaalsContact C-N 3.31Å; T219-I221 PolarHBondContact O-N 2.74Å; T219-I222 PolarHBondContact O-N 2.62Å; T219-I223 HydrophobicContact CG2-CD1 3.88Å; T219-I223 HydrophobicContact CG2-CG1 4.41Å; T219-I223 VanDerWaalsContact O-CG1 3.28Å; T219-I223 WeakPolarHBondContact O-CG1 3.35Å; T219-I223 PolarHBondContact O-N 3.15Å; T219-F270 HydrophobicContact CG2-CE2 4.26Å; T219-F270 HydrophobicContact CG2-CZ 4.38Å |
| 220 | G | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.2 | -40.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | W216 W217 T218 Y224 | W216-G220 PolarHBondContact O-N 3.3Å; W216-G220 VanDerWaalsContact O-N 3.08Å; W217-G220 WeakPolarHBondContact O-CA 3.48Å; W217-G220 PolarHBondContact O-N 2.57Å; T218-G220 VanDerWaalsContact C-N 3.32Å; T218-G220 PolarHBondContact O-N 3.01Å; G220-Y224 WeakPolarHBondContact O-CB 3.49Å; G220-Y224 PolarHBondContact O-N 3.18Å |
| 221 | I | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.1 | -48.8 | 176 | -66.2 | -176.2 | 0 | 0 | 0 | 110.7 | E198 Y199 W217 T218 T219 I223 Y224 E225 P231 P232 F233 L271 | E198-I221 VanDerWaalsContact O-CD1 3.31Å; E198-I221 WeakPolarHBondContact O-CD1 3.11Å; Y199-I221 HydrophobicContact CD1-CB 4.21Å; Y199-I221 HydrophobicContact CD1-CG2 3.43Å; Y199-I221 VanDerWaalsContact CD1-CG2 3.43Å; Y199-I221 HydrophobicContact CE1-CG2 3.49Å; Y199-I221 VanDerWaalsContact CE1-CG2 3.49Å; Y199-I221 HydrophobicContact CG-CG2 4.4Å; W217-I221 PolarHBondContact O-N 3.41Å; W217-I221 VanDerWaalsContact O-N 3.12Å; T218-I221 WeakPolarHBondContact O-CB 3.19Å; T218-I221 PolarHBondContact O-N 3.46Å; T219-I221 VanDerWaalsContact C-N 3.31Å; T219-I221 PolarHBondContact O-N 2.74Å; I221-I223 PolarHBondContact O-N 3.49Å; I221-Y224 WeakPolarHBondContact O-CB 3.13Å; I221-Y224 PolarHBondContact O-N 2.91Å; I221-E225 WeakPolarHBondContact O-CB 3.47Å; I221-E225 PolarHBondContact O-N 2.84Å; I221-P231 HydrophobicContact CG2-CB 4.33Å; I221-P232 HydrophobicContact CG1-CG 4.19Å; I221-F233 HydrophobicContact CD1-CD2 4.26Å; I221-F233 HydrophobicContact CD1-CE2 4.46Å; I221-L271 HydrophobicContact CG1-CD2 3.72Å |
| 222 | I | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.8 | -41.8 | -179.8 | -70.5 | -69.3 | 0 | 0 | 0 | 111.7 | F124 I145 L162 P164 L167 Y199 T218 T219 E225 M226 | F124-I222 HydrophobicContact CE2-CD1 4.18Å; F124-I222 HydrophobicContact CE2-CG2 4.45Å; F124-I222 HydrophobicContact CZ-CD1 3.76Å; F124-I222 HydrophobicContact CZ-CG2 4.23Å; I145-I222 HydrophobicContact CD1-CG2 3.93Å; L162-I222 HydrophobicContact CD2-CG1 4.12Å; L162-I222 HydrophobicContact CG-CG1 4.04Å; P164-I222 HydrophobicContact CG-CD1 4.45Å; L167-I222 HydrophobicContact CD1-CD1 4.24Å; L167-I222 HydrophobicContact CD1-CG2 4.04Å; Y199-I222 HydrophobicContact CD1-CD1 4.25Å; Y199-I222 HydrophobicContact CE1-CD1 3.68Å; Y199-I222 HydrophobicContact CE1-CG1 4.34Å; T218-I222 WeakPolarHBondContact O-CG1 3.29Å; T218-I222 PolarHBondContact O-N 3.08Å; T219-I222 PolarHBondContact O-N 2.62Å; I222-E225 PolarHBondContact O-N 3.24Å; I222-M226 HydrophobicContact CG2-CE 3.78Å; I222-M226 WeakPolarHBondContact O-CB 3.26Å; I222-M226 WeakPolarHBondContact O-CG 3.45Å; I222-M226 PolarHBondContact O-N 2.96Å |
| 223 | I | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.4 | -47.3 | 175.4 | -68.3 | 168.6 | 0 | 0 | 0 | 110.4 | T138 A142 T219 I221 E225 M226 L227 V267 F270 W294 | T138-I223 HydrophobicContact CG2-CG2 3.91Å; A142-I223 HydrophobicContact CB-CD1 3.94Å; A142-I223 HydrophobicContact CB-CG1 3.81Å; T219-I223 HydrophobicContact CG2-CD1 3.88Å; T219-I223 HydrophobicContact CG2-CG1 4.41Å; T219-I223 VanDerWaalsContact O-CG1 3.28Å; T219-I223 WeakPolarHBondContact O-CG1 3.35Å; T219-I223 PolarHBondContact O-N 3.15Å; I221-I223 PolarHBondContact O-N 3.49Å; I223-E225 VanDerWaalsContact C-N 3.34Å; I223-E225 PolarHBondContact O-N 3.27Å; I223-M226 HydrophobicContact CG1-CE 4.49Å; I223-M226 PolarHBondContact O-N 3.16Å; I223-L227 HydrophobicContact CG2-CD1 3.75Å; I223-L227 WeakPolarHBondContact O-CD1 3.4Å; I223-L227 VanDerWaalsContact O-CG 3.26Å; I223-L227 WeakPolarHBondContact O-CG 3.32Å; I223-L227 PolarHBondContact O-N 2.99Å; I223-L227 VanDerWaalsContact O-N 3.08Å; I223-V267 HydrophobicContact CB-CG2 4Å; I223-V267 HydrophobicContact CG2-CG2 3.41Å; I223-V267 VanDerWaalsContact CG2-CG2 3.41Å; I223-F270 HydrophobicContact CD1-CD2 4.23Å; I223-F270 HydrophobicContact CD1-CE2 3.98Å; I223-W294 HydrophobicContact CD1-CZ3 4.04Å; I223-W294 HydrophobicContact CG1-CZ3 4.46Å; I223-W294 HydrophobicContact CG2-CH2 3.69Å; I223-W294 HydrophobicContact CG2-CZ2 4.39Å; I223-W294 HydrophobicContact CG2-CZ3 4.05Å |
| 224 | Y | 98 | Very high | 96.5 | Very high | 9 Ų | 9 | 15 Ų | 15 | 4% | 0.035 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.9 | -48.1 | 176.9 | -179.6 | -79.5 | 0 | 0 | 0 | 111.2 | G220 I221 M226 L227 V228 R230 P232 F252 D253 F254 V267 | G220-Y224 WeakPolarHBondContact O-CB 3.49Å; G220-Y224 PolarHBondContact O-N 3.18Å; I221-Y224 WeakPolarHBondContact O-CB 3.13Å; I221-Y224 PolarHBondContact O-N 2.91Å; Y224-M226 VanDerWaalsContact C-N 3.34Å; Y224-M226 PolarHBondContact O-N 2.8Å; Y224-L227 PolarHBondContact O-N 2.79Å; Y224-L227 VanDerWaalsContact O-N 3.08Å; Y224-V228 HydrophobicContact CD1-CB 4.13Å; Y224-V228 HydrophobicContact CD1-CG2 4.15Å; Y224-V228 HydrophobicContact CD2-CG2 4.29Å; Y224-V228 HydrophobicContact CE1-CB 3.71Å; Y224-V228 HydrophobicContact CE1-CG1 3.86Å; Y224-V228 HydrophobicContact CE1-CG2 3.81Å; Y224-V228 HydrophobicContact CE2-CG2 3.95Å; Y224-V228 HydrophobicContact CG-CG2 4.38Å; Y224-V228 WeakPolarHBondContact O-CB 3.49Å; Y224-V228 WeakPolarHBondContact O-CG2 3.33Å; Y224-V228 PolarHBondContact O-N 3.49Å; Y224-R230 VanDerWaalsContact CD1-O 3.31Å; Y224-R230 WeakPolarHBondContact CD1-O 3.29Å; Y224-R230 VanDerWaalsContact CE1-O 3.24Å; Y224-R230 WeakPolarHBondContact CE1-O 3.46Å; Y224-P232 HydrophobicContact CD1-CB 3.65Å; Y224-P232 VanDerWaalsContact CD1-CD 3.46Å; Y224-P232 HydrophobicContact CD1-CG 3.94Å; Y224-P232 HydrophobicContact CD2-CB 4Å; Y224-P232 HydrophobicContact CE1-CB 3.72Å; Y224-P232 HydrophobicContact CE1-CG 4.46Å; Y224-P232 HydrophobicContact CE2-CB 4.06Å; Y224-P232 HydrophobicContact CG-CB 3.8Å; Y224-P232 HydrophobicContact CG-CG 4.01Å; Y224-F252 AromaticContact CD2-CD2 3.97Å; Y224-F252 HydrophobicContact CD2-CD2 3.97Å; Y224-F252 HydrophobicContact CD2-CE2 4.08Å; Y224-F252 AromaticContact CE2-CD2 3.77Å; Y224-F252 HydrophobicContact CE2-CD2 3.77Å; Y224-F252 HydrophobicContact CE2-CE2 4.25Å; Y224-D253 PolarHBondContact OH-O 3.37Å; Y224-F254 AromaticContact CD2-CD1 3.96Å; Y224-F254 HydrophobicContact CD2-CD1 3.96Å; Y224-F254 AromaticContact CD2-CE1 3.45Å; Y224-F254 HydrophobicContact CD2-CE1 3.45Å; Y224-F254 VanDerWaalsContact CD2-CE1 3.45Å; Y224-F254 AromaticContact CD2-CZ 3.9Å; Y224-F254 HydrophobicContact CD2-CZ 3.9Å; Y224-F254 AromaticContact CE2-CD1 3.75Å; Y224-F254 HydrophobicContact CE2-CD1 3.75Å; Y224-F254 AromaticContact CE2-CE1 3.73Å; Y224-F254 HydrophobicContact CE2-CE1 3.73Å; Y224-F254 HydrophobicContact CE2-CG 4.29Å; Y224-F254 HydrophobicContact CE2-CZ 4.23Å; Y224-V267 HydrophobicContact CD2-CG1 4.15Å |
| 225 | E | 97.4 | Very high | 96.3 | Very high | 19 Ų | 19 | 16.2 Ų | 16.2 | 9% | 0.089 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.4 | -39.1 | -176.9 | -171.2 | 173.3 | 179.9 | 0 | 0 | 112.1 | F124 L127 Y199 I221 I222 I223 L227 V228 G229 R230 | F124-E225 HydrophobicContact CE1-CB 4.21Å; F124-E225 VanDerWaalsContact CE1-CD 3.41Å; F124-E225 HydrophobicContact CE1-CG 3.68Å; L127-E225 HydrophobicContact CD2-CG 4.34Å; Y199-E225 WeakPolarHBondContact CE1-OE2 3.26Å; Y199-E225 PolarHBondContact OH-OE1 3.18Å; Y199-E225 PolarHBondContact OH-OE2 3.11Å; I221-E225 WeakPolarHBondContact O-CB 3.47Å; I221-E225 PolarHBondContact O-N 2.84Å; I222-E225 PolarHBondContact O-N 3.24Å; I223-E225 VanDerWaalsContact C-N 3.34Å; I223-E225 PolarHBondContact O-N 3.27Å; E225-L227 VanDerWaalsContact C-N 3.32Å; E225-L227 PolarHBondContact O-N 3.45Å; E225-V228 PolarHBondContact O-N 2.91Å; E225-G229 WeakPolarHBondContact O-CA 3.23Å; E225-G229 PolarHBondContact O-N 3.4Å; E225-R230 WeakPolarHBondContact CA-O 3.44Å |
| 226 | M | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.7 | -38.4 | 172.1 | -76.8 | -172.2 | -62.3 | 0 | 0 | 112.3 | L123 F124 L127 F133 T138 I222 I223 Y224 | L123-M226 HydrophobicContact CD2-SD 3.96Å; F124-M226 HydrophobicContact CE2-CG 4.37Å; F124-M226 HydrophobicContact CZ-CG 4.01Å; L127-M226 WeakPolarHBondContact CD1-O 3.44Å; F133-M226 WeakPolarHBondContact CB-O 3.33Å; F133-M226 HydrophobicContact CD2-CB 3.92Å; F133-M226 HydrophobicContact CD2-CG 3.8Å; F133-M226 HydrophobicContact CD2-SD 4.01Å; F133-M226 HydrophobicContact CE2-CG 4.13Å; F133-M226 HydrophobicContact CE2-SD 4.22Å; F133-M226 PolarHBondContact N-O 3.33Å; T138-M226 HydrophobicContact CG2-CB 3.84Å; T138-M226 HydrophobicContact CG2-CE 3.82Å; I222-M226 HydrophobicContact CG2-CE 3.78Å; I222-M226 WeakPolarHBondContact O-CB 3.26Å; I222-M226 WeakPolarHBondContact O-CG 3.45Å; I222-M226 PolarHBondContact O-N 2.96Å; I223-M226 HydrophobicContact CG1-CE 4.49Å; I223-M226 PolarHBondContact O-N 3.16Å; Y224-M226 VanDerWaalsContact C-N 3.34Å; Y224-M226 PolarHBondContact O-N 2.8Å |
| 227 | L | 97.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -75.4 | -32 | -179.5 | -70 | 164.4 | 0 | 0 | 0 | 113.6 | T138 I223 Y224 E225 V259 A263 V267 | T138-L227 HydrophobicContact CG2-CD1 4.25Å; T138-L227 HydrophobicContact CG2-CD2 3.88Å; T138-L227 HydrophobicContact CG2-CG 3.66Å; I223-L227 HydrophobicContact CG2-CD1 3.75Å; I223-L227 WeakPolarHBondContact O-CD1 3.4Å; I223-L227 VanDerWaalsContact O-CG 3.26Å; I223-L227 WeakPolarHBondContact O-CG 3.32Å; I223-L227 PolarHBondContact O-N 2.99Å; I223-L227 VanDerWaalsContact O-N 3.08Å; Y224-L227 PolarHBondContact O-N 2.79Å; Y224-L227 VanDerWaalsContact O-N 3.08Å; E225-L227 VanDerWaalsContact C-N 3.32Å; E225-L227 PolarHBondContact O-N 3.45Å; L227-V259 HydrophobicContact CB-CG2 4.08Å; L227-V259 HydrophobicContact CD1-CG1 3.95Å; L227-A263 HydrophobicContact CD1-CB 3.91Å; L227-V267 HydrophobicContact CD1-CG2 4.43Å |
| 228 | V | 96.1 | Very high | 95 | Very high | 22 Ų | 22 | 34.9 Ų | 34.9 | 13% | 0.133 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -111.6 | -18.4 | -169 | 179.4 | 0 | 0 | 0 | 0 | 112.6 | Y224 E225 R230 F254 P255 V259 | Y224-V228 HydrophobicContact CD1-CB 4.13Å; Y224-V228 HydrophobicContact CD1-CG2 4.15Å; Y224-V228 HydrophobicContact CD2-CG2 4.29Å; Y224-V228 HydrophobicContact CE1-CB 3.71Å; Y224-V228 HydrophobicContact CE1-CG1 3.86Å; Y224-V228 HydrophobicContact CE1-CG2 3.81Å; Y224-V228 HydrophobicContact CE2-CG2 3.95Å; Y224-V228 HydrophobicContact CG-CG2 4.38Å; Y224-V228 WeakPolarHBondContact O-CB 3.49Å; Y224-V228 WeakPolarHBondContact O-CG2 3.33Å; Y224-V228 PolarHBondContact O-N 3.49Å; E225-V228 PolarHBondContact O-N 2.91Å; V228-R230 VanDerWaalsContact C-N 3.35Å; V228-R230 HydrophobicContact CG1-CG 4.18Å; V228-F254 HydrophobicContact CG2-CD1 4.34Å; V228-P255 HydrophobicContact CG1-CG 3.95Å; V228-P255 HydrophobicContact CG2-CG 4.24Å; V228-V259 HydrophobicContact CG2-CG2 4.22Å |
| 229 | G | 94.9 | Very high | 94.7 | Very high | 31 Ų | 31 | 37.4 Ų | 37.4 | 32% | 0.32 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 86.6 | -2.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G131 E225 | G131-G229 WeakPolarHBondContact O-CA 3.15Å; E225-G229 WeakPolarHBondContact O-CA 3.23Å; E225-G229 PolarHBondContact O-N 3.4Å |
| 230 | R | 93.7 | Very high | 94.3 | Very high | 121 Ų | 121 | 44.5 Ų | 44.5 | 46% | 0.457 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -151.8 | 153 | 178.1 | 65.2 | -175.7 | -179.5 | -158.3 | 2.9 | 110.7 | Y224 E225 V228 Y234 | Y224-R230 VanDerWaalsContact CD1-O 3.31Å; Y224-R230 WeakPolarHBondContact CD1-O 3.29Å; Y224-R230 VanDerWaalsContact CE1-O 3.24Å; Y224-R230 WeakPolarHBondContact CE1-O 3.46Å; E225-R230 WeakPolarHBondContact CA-O 3.44Å; V228-R230 VanDerWaalsContact C-N 3.35Å; V228-R230 HydrophobicContact CG1-CG 4.18Å; R230-Y234 HydrophobicContact CG-CD1 4.43Å; R230-Y234 HydrophobicContact CG-CE1 4.26Å; R230-Y234 PolarHBondContact NE-OH 3.18Å; R230-Y234 PolarHBondContact NH1-OH 2.97Å; R230-Y234 VanDerWaalsContact NH1-OH 3.08Å; R230-Y234 PolarHBondContact NH2-OH 2.65Å |
| 231 | P | 95.2 | Very high | 94 | Very high | 19 Ų | 19 | 49.5 Ų | 49.5 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | trans | -64.9 | 154.9 | -179.6 | 22.8 | -28.7 | 0 | 0 | 0 | 111.4 | I221 F233 Y234 | I221-P231 HydrophobicContact CG2-CB 4.33Å; P231-F233 VanDerWaalsContact C-N 3.33Å; P231-F233 PolarHBondContact O-N 3.34Å; P231-Y234 VanDerWaalsContact O-CD1 3.31Å; P231-Y234 WeakPolarHBondContact O-CD1 3.24Å | ||
| 232 | P | 95.8 | Very high | 93.8 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 7% | 0.071 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -68.4 | -34 | -177.4 | 25.3 | -28.8 | 0 | 0 | 0 | 112.1 | I221 Y224 F252 L271 | I221-P232 HydrophobicContact CG1-CG 4.19Å; Y224-P232 HydrophobicContact CD1-CB 3.65Å; Y224-P232 VanDerWaalsContact CD1-CD 3.46Å; Y224-P232 HydrophobicContact CD1-CG 3.94Å; Y224-P232 HydrophobicContact CD2-CB 4Å; Y224-P232 HydrophobicContact CE1-CB 3.72Å; Y224-P232 HydrophobicContact CE1-CG 4.46Å; Y224-P232 HydrophobicContact CE2-CB 4.06Å; Y224-P232 HydrophobicContact CG-CB 3.8Å; Y224-P232 HydrophobicContact CG-CG 4.01Å; P232-F252 HydrophobicContact CB-CB 3.91Å; P232-F252 HydrophobicContact CB-CD2 4.08Å; P232-F252 HydrophobicContact CB-CG 4.06Å; P232-L271 HydrophobicContact CB-CD1 4.4Å; P232-L271 HydrophobicContact CG-CD1 3.91Å |
| 233 | F | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -109.3 | 83.1 | -179.5 | -46.3 | -64.5 | 0 | 0 | 0 | 109.6 | W217 I221 P231 K246 I247 F252 L271 | W217-F233 AromaticContact CH2-CE2 3.93Å; W217-F233 HydrophobicContact CH2-CE2 3.93Å; W217-F233 HydrophobicContact CH2-CZ 4.02Å; W217-F233 HydrophobicContact CZ2-CD2 4.17Å; W217-F233 AromaticContact CZ2-CE2 3.38Å; W217-F233 HydrophobicContact CZ2-CE2 3.38Å; W217-F233 AromaticContact CZ2-CZ 3.94Å; W217-F233 HydrophobicContact CZ2-CZ 3.94Å; I221-F233 HydrophobicContact CD1-CD2 4.26Å; I221-F233 HydrophobicContact CD1-CE2 4.46Å; P231-F233 VanDerWaalsContact C-N 3.33Å; P231-F233 PolarHBondContact O-N 3.34Å; F233-K246 HydrophobicContact CB-CB 4.23Å; F233-K246 HydrophobicContact CD1-CB 4Å; F233-I247 HydrophobicContact CB-CG1 3.69Å; F233-I247 HydrophobicContact CD2-CG1 3.73Å; F233-I247 HydrophobicContact CG-CG1 3.75Å; F233-F252 HydrophobicContact CD1-CB 4.45Å; F233-F252 HydrophobicContact CE1-CB 3.9Å; F233-F252 AromaticContact CE1-CD1 3.98Å; F233-F252 HydrophobicContact CE1-CD1 3.98Å; F233-F252 HydrophobicContact CE1-CG 4.29Å; F233-F252 HydrophobicContact CZ-CB 4.47Å; F233-F252 AromaticContact CZ-CD1 3.87Å; F233-F252 HydrophobicContact CZ-CD1 3.87Å; F233-F252 HydrophobicContact CZ-CG 4.39Å; F233-L271 HydrophobicContact CE2-CD1 4.31Å; F233-L271 HydrophobicContact CE2-CD2 4.5Å; F233-L271 HydrophobicContact CZ-CD1 4.44Å |
| 234 | Y | 90.7 | Very high | 93.3 | Very high | 61 Ų | 61 | 56.6 Ų | 56.6 | 24% | 0.239 | 27% | 0.273 | C | S | . | . | trans | -122.5 | 158.1 | 176.4 | 79.3 | -79.9 | 0 | 0 | 0 | 111.3 | R230 P231 E236 K246 | R230-Y234 HydrophobicContact CG-CD1 4.43Å; R230-Y234 HydrophobicContact CG-CE1 4.26Å; R230-Y234 PolarHBondContact NE-OH 3.18Å; R230-Y234 PolarHBondContact NH1-OH 2.97Å; R230-Y234 VanDerWaalsContact NH1-OH 3.08Å; R230-Y234 PolarHBondContact NH2-OH 2.65Å; P231-Y234 VanDerWaalsContact O-CD1 3.31Å; P231-Y234 WeakPolarHBondContact O-CD1 3.24Å; Y234-E236 HydrophobicContact CE2-CG 4.04Å; Y234-K246 PolarHBondContact O-NZ 3.49Å | ||
| 235 | D | 89.8 | Confident | 93.1 | Very high | 28 Ų | 28 | 61.4 Ų | 61.4 | 15% | 0.15 | 30% | 0.296 | C | S | . | . | trans | -123.3 | 137.1 | 168.8 | -178.1 | -91.8 | 0 | 0 | 0 | 108.1 | N237 D238 N239 H242 I243 | D235-N237 PolarHBondContact O-N 2.84Å; D235-N237 WeakPolarHBondContact OD1-CA 3.42Å; D235-N237 WeakPolarHBondContact OD1-CB 3.19Å; D235-N237 PolarHBondContact OD1-N 2.84Å; D235-D238 PolarHBondContact O-N 2.91Å; D235-D238 VanDerWaalsContact O-N 3.08Å; D235-D238 PolarHBondContact OD1-N 3.42Å; D235-N239 HydrophobicContact CB-CB 4.42Å; D235-N239 WeakPolarHBondContact OD1-CB 3.46Å; D235-N239 PolarHBondContact OD1-N 3.41Å; D235-N239 VanDerWaalsContact OD1-N 3.09Å; D235-H242 HydrophobicContact CB-CB 4.22Å; D235-H242 WeakPolarHBondContact OD2-CB 3.39Å; D235-H242 IonicContact OD2-CG 2.79Å; D235-H242 IonicContact OD2-ND1 3.8Å; D235-H242 PolarHBondContact OD2-ND1 3.42Å; D235-I243 HydrophobicContact CB-CD1 4.35Å; D235-I243 HydrophobicContact CB-CG1 3.88Å | ||
| 236 | E | 88.1 | Confident | 93 | Very high | 164 Ų | 164 | 64.3 Ų | 64.3 | 77% | 0.766 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.1 | -176.2 | -65.9 | -177.9 | 171.3 | 0 | 0 | 113 | Y234 | Y234-E236 HydrophobicContact CE2-CG 4.04Š|
| 237 | N | 90.2 | Very high | 92.9 | Very high | 142 Ų | 142 | 64.3 Ų | 64.3 | 76% | 0.759 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 14.8 | 178.7 | -56.9 | -69.2 | 0 | 0 | 0 | 112.4 | D235 N239 | D235-N237 PolarHBondContact O-N 2.84Å; D235-N237 WeakPolarHBondContact OD1-CA 3.42Å; D235-N237 WeakPolarHBondContact OD1-CB 3.19Å; D235-N237 PolarHBondContact OD1-N 2.84Å; N237-N239 PolarHBondContact O-N 3.29Å; N237-N239 VanDerWaalsContact O-N 3.15Å |
| 238 | D | 85.6 | Confident | 92.7 | Very high | 89 Ų | 89 | 66.4 Ų | 66.4 | 48% | 0.476 | 33% | 0.327 | S | S | . | . | trans | 51.8 | 35 | -174.6 | -170 | 25 | 0 | 0 | 0 | 112.7 | D235 R240 | D235-D238 PolarHBondContact O-N 2.91Å; D235-D238 VanDerWaalsContact O-N 3.08Å; D235-D238 PolarHBondContact OD1-N 3.42Å; D238-R240 PolarHBondContact O-N 3.37Å | ||
| 239 | N | 91.6 | Very high | 92.6 | Very high | 65 Ų | 65 | 69.1 Ų | 69.1 | 35% | 0.348 | 35% | 0.346 | S | S | . | . | trans | -74.6 | 100.6 | 176.5 | -171.6 | -31 | 0 | 0 | 0 | 110.2 | D235 N237 L241 H242 I243 | D235-N239 HydrophobicContact CB-CB 4.42Å; D235-N239 WeakPolarHBondContact OD1-CB 3.46Å; D235-N239 PolarHBondContact OD1-N 3.41Å; D235-N239 VanDerWaalsContact OD1-N 3.09Å; N237-N239 PolarHBondContact O-N 3.29Å; N237-N239 VanDerWaalsContact O-N 3.15Å; N239-L241 PolarHBondContact O-N 2.96Å; N239-L241 VanDerWaalsContact O-N 3.14Å; N239-L241 WeakPolarHBondContact OD1-CB 3.36Å; N239-L241 PolarHBondContact OD1-N 2.77Å; N239-H242 HydrophobicContact CB-CB 4.25Å; N239-H242 WeakPolarHBondContact O-CB 3.42Å; N239-H242 PolarHBondContact O-N 3.3Å; N239-H242 PolarHBondContact OD1-N 3.32Å; N239-I243 PolarHBondContact O-N 2.76Å | ||
| 240 | R | 90.6 | Very high | 92.6 | Very high | 149 Ų | 149 | 68.4 Ų | 68.4 | 56% | 0.562 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -51.3 | -37.9 | 178.8 | -64.5 | -177.3 | -176 | 174 | 1.5 | 114 | D238 H242 I243 Y244 | D238-R240 PolarHBondContact O-N 3.37Å; R240-H242 VanDerWaalsContact C-N 3.34Å; R240-H242 PolarHBondContact O-N 3.04Å; R240-I243 PolarHBondContact O-N 2.82Å; R240-Y244 HydrophobicContact CB-CE2 4.14Å; R240-Y244 WeakPolarHBondContact O-CB 2.84Å; R240-Y244 WeakPolarHBondContact O-CD1 3.41Å; R240-Y244 VanDerWaalsContact O-CD2 3.25Å; R240-Y244 WeakPolarHBondContact O-CD2 3.48Å; R240-Y244 PolarHBondContact O-N 3.35Å |
| 241 | L | 91.7 | Very high | 92.4 | Very high | 104 Ų | 104 | 68.2 Ų | 68.2 | 55% | 0.545 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | -180 | -174.1 | 67.2 | 0 | 0 | 0 | 111 | N239 Y244 Q245 | N239-L241 PolarHBondContact O-N 2.96Å; N239-L241 VanDerWaalsContact O-N 3.14Å; N239-L241 WeakPolarHBondContact OD1-CB 3.36Å; N239-L241 PolarHBondContact OD1-N 2.77Å; L241-Y244 PolarHBondContact O-N 2.64Å; L241-Q245 VanDerWaalsContact O-CG 3.28Å; L241-Q245 WeakPolarHBondContact O-CG 3.46Å; L241-Q245 PolarHBondContact O-N 3.39Å |
| 242 | H | 92.8 | Very high | 92.4 | Very high | 77 Ų | 77 | 68.5 Ų | 68.5 | 36% | 0.356 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 175.8 | -67.4 | 177.3 | 0 | 0 | 0 | 111.7 | D235 N239 R240 Y244 Q245 K246 | D235-H242 HydrophobicContact CB-CB 4.22Å; D235-H242 WeakPolarHBondContact OD2-CB 3.39Å; D235-H242 IonicContact OD2-CG 2.79Å; D235-H242 IonicContact OD2-ND1 3.8Å; D235-H242 PolarHBondContact OD2-ND1 3.42Å; N239-H242 HydrophobicContact CB-CB 4.25Å; N239-H242 WeakPolarHBondContact O-CB 3.42Å; N239-H242 PolarHBondContact O-N 3.3Å; N239-H242 PolarHBondContact OD1-N 3.32Å; R240-H242 VanDerWaalsContact C-N 3.34Å; R240-H242 PolarHBondContact O-N 3.04Å; H242-Y244 VanDerWaalsContact C-N 3.32Å; H242-Y244 PolarHBondContact O-N 3.47Å; H242-Q245 WeakPolarHBondContact O-CB 3.31Å; H242-Q245 PolarHBondContact O-N 3.44Å; H242-K246 WeakPolarHBondContact O-CG 3.5Å; H242-K246 PolarHBondContact O-N 2.96Å |
| 243 | I | 93.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 73.5 Ų | 73.5 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.4 | -47.8 | 174.4 | -66.6 | 165.6 | 0 | 0 | 0 | 109.9 | E198 D235 N239 R240 Q245 K246 I247 | E198-I243 HydrophobicContact CG-CD1 4.29Å; D235-I243 HydrophobicContact CB-CD1 4.35Å; D235-I243 HydrophobicContact CB-CG1 3.88Å; N239-I243 PolarHBondContact O-N 2.76Å; R240-I243 PolarHBondContact O-N 2.82Å; I243-Q245 VanDerWaalsContact C-N 3.33Å; I243-Q245 PolarHBondContact O-N 3.36Å; I243-K246 PolarHBondContact O-N 3.01Å; I243-I247 HydrophobicContact CG2-CD1 3.81Å; I243-I247 HydrophobicContact CG2-CG1 4.47Å; I243-I247 WeakPolarHBondContact O-CG1 3.26Å; I243-I247 PolarHBondContact O-N 3.09Å |
| 244 | Y | 93.8 | Very high | 92.3 | Very high | 72 Ų | 72 | 74.3 Ų | 74.3 | 28% | 0.282 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 177.8 | -60.6 | -21.4 | 0 | 0 | 0 | 113.2 | P197 L200 L205 R240 L241 H242 I247 A248 | P197-Y244 HydrophobicContact CB-CE1 3.84Å; L200-Y244 HydrophobicContact CD1-CE1 4.4Å; L205-Y244 HydrophobicContact CD1-CD1 3.88Å; L205-Y244 HydrophobicContact CD1-CG 4.2Å; L205-Y244 HydrophobicContact CD2-CD1 3.65Å; L205-Y244 HydrophobicContact CD2-CE1 3.74Å; L205-Y244 HydrophobicContact CD2-CG 4.09Å; L205-Y244 HydrophobicContact CG-CD1 4.45Å; R240-Y244 HydrophobicContact CB-CE2 4.14Å; R240-Y244 WeakPolarHBondContact O-CB 2.84Å; R240-Y244 WeakPolarHBondContact O-CD1 3.41Å; R240-Y244 VanDerWaalsContact O-CD2 3.25Å; R240-Y244 WeakPolarHBondContact O-CD2 3.48Å; R240-Y244 PolarHBondContact O-N 3.35Å; L241-Y244 PolarHBondContact O-N 2.64Å; H242-Y244 VanDerWaalsContact C-N 3.32Å; H242-Y244 PolarHBondContact O-N 3.47Å; Y244-I247 HydrophobicContact CD1-CD1 4.49Å; Y244-A248 VanDerWaalsContact O-CB 3.28Å; Y244-A248 WeakPolarHBondContact O-CB 3.46Å; Y244-A248 PolarHBondContact O-N 3.1Å |
| 245 | Q | 93.9 | Very high | 92.2 | Very high | 109 Ų | 109 | 73.5 Ų | 73.5 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 174.5 | -74.6 | 168.9 | -12.8 | 0 | 0 | 111.7 | L241 H242 I243 A248 S249 | L241-Q245 VanDerWaalsContact O-CG 3.28Å; L241-Q245 WeakPolarHBondContact O-CG 3.46Å; L241-Q245 PolarHBondContact O-N 3.39Å; H242-Q245 WeakPolarHBondContact O-CB 3.31Å; H242-Q245 PolarHBondContact O-N 3.44Å; I243-Q245 VanDerWaalsContact C-N 3.33Å; I243-Q245 PolarHBondContact O-N 3.36Å; Q245-A248 PolarHBondContact O-N 3.28Å; Q245-S249 PolarHBondContact O-N 3.1Å; Q245-S249 PolarHBondContact O-OG 3.12Å |
| 246 | K | 94.7 | Very high | 91.5 | Very high | 80 Ų | 80 | 78.8 Ų | 78.8 | 35% | 0.348 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 175.9 | -69.4 | -177.7 | -180 | -174.3 | 0 | 112.2 | F233 Y234 H242 I243 A248 S249 G250 | F233-K246 HydrophobicContact CB-CB 4.23Å; F233-K246 HydrophobicContact CD1-CB 4Å; Y234-K246 PolarHBondContact O-NZ 3.49Å; H242-K246 WeakPolarHBondContact O-CG 3.5Å; H242-K246 PolarHBondContact O-N 2.96Å; I243-K246 PolarHBondContact O-N 3.01Å; K246-A248 VanDerWaalsContact C-N 3.3Å; K246-A248 PolarHBondContact O-N 2.9Å; K246-S249 PolarHBondContact O-N 3.16Å; K246-S249 PolarHBondContact O-OG 3.15Å; K246-G250 PolarHBondContact O-N 3.25Å |
| 247 | I | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 174 | -69.9 | 168.5 | 0 | 0 | 0 | 110.4 | P197 P202 L205 W217 F233 I243 Y244 G250 | P197-I247 WeakPolarHBondContact O-CD1 3.3Å; P202-I247 HydrophobicContact CB-CG2 4.38Å; P202-I247 HydrophobicContact CG-CG2 3.83Å; L205-I247 HydrophobicContact CD1-CB 3.96Å; L205-I247 HydrophobicContact CD1-CD1 4.2Å; L205-I247 HydrophobicContact CD1-CG2 3.56Å; W217-I247 HydrophobicContact CZ2-CG2 3.92Å; F233-I247 HydrophobicContact CB-CG1 3.69Å; F233-I247 HydrophobicContact CD2-CG1 3.73Å; F233-I247 HydrophobicContact CG-CG1 3.75Å; I243-I247 HydrophobicContact CG2-CD1 3.81Å; I243-I247 HydrophobicContact CG2-CG1 4.47Å; I243-I247 WeakPolarHBondContact O-CG1 3.26Å; I243-I247 PolarHBondContact O-N 3.09Å; Y244-I247 HydrophobicContact CD1-CD1 4.49Å; I247-G250 PolarHBondContact O-N 3.43Å |
| 248 | A | 93.7 | Very high | 90.6 | Very high | 49 Ų | 49 | 77.7 Ų | 77.7 | 41% | 0.405 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.9 | -34.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y244 Q245 K246 G250 | Y244-A248 VanDerWaalsContact O-CB 3.28Å; Y244-A248 WeakPolarHBondContact O-CB 3.46Å; Y244-A248 PolarHBondContact O-N 3.1Å; Q245-A248 PolarHBondContact O-N 3.28Å; K246-A248 VanDerWaalsContact C-N 3.3Å; K246-A248 PolarHBondContact O-N 2.9Å; A248-G250 VanDerWaalsContact C-N 3.35Å |
| 249 | S | 94.3 | Very high | 90.9 | Very high | 78 Ų | 78 | 73.8 Ų | 73.8 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -73 | -30 | 173.4 | 67 | 0 | 0 | 0 | 0 | 112.1 | Q245 K246 D251 | Q245-S249 PolarHBondContact O-N 3.1Å; Q245-S249 PolarHBondContact O-OG 3.12Å; K246-S249 PolarHBondContact O-N 3.16Å; K246-S249 PolarHBondContact O-OG 3.15Å; S249-D251 PolarHBondContact O-N 3.09Å; S249-D251 WeakPolarHBondContact OG-CB 3.49Å; S249-D251 PolarHBondContact OG-N 3.24Å |
| 250 | G | 93.7 | Very high | 90.9 | Very high | 17 Ų | 17 | 73.3 Ų | 73.3 | 18% | 0.175 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 18.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113 | K246 I247 A248 F252 V273 | K246-G250 PolarHBondContact O-N 3.25Å; I247-G250 PolarHBondContact O-N 3.43Å; A248-G250 VanDerWaalsContact C-N 3.35Å; G250-F252 WeakPolarHBondContact O-CD1 3.21Å; G250-V273 VanDerWaalsContact CA-CG2 3.43Å |
| 251 | D | 90.9 | Very high | 91.2 | Very high | 116 Ų | 116 | 71.9 Ų | 71.9 | 62% | 0.62 | 38% | 0.376 | S | S | * | . | trans | -89 | 117 | -176.8 | -165.8 | 19.8 | 0 | 0 | 0 | 109.7 | S249 | S249-D251 PolarHBondContact O-N 3.09Å; S249-D251 WeakPolarHBondContact OG-CB 3.49Å; S249-D251 PolarHBondContact OG-N 3.24Å | ||
| 252 | F | 94.7 | Very high | 91.4 | Very high | 26 Ų | 26 | 70.4 Ų | 70.4 | 11% | 0.114 | 37% | 0.368 | C | S | . | . | trans | -155.8 | 148.4 | 177.1 | 72.3 | -80.2 | 0 | 0 | 0 | 109.2 | Y224 P232 F233 G250 F254 V267 R268 L271 | Y224-F252 AromaticContact CD2-CD2 3.97Å; Y224-F252 HydrophobicContact CD2-CD2 3.97Å; Y224-F252 HydrophobicContact CD2-CE2 4.08Å; Y224-F252 AromaticContact CE2-CD2 3.77Å; Y224-F252 HydrophobicContact CE2-CD2 3.77Å; Y224-F252 HydrophobicContact CE2-CE2 4.25Å; P232-F252 HydrophobicContact CB-CB 3.91Å; P232-F252 HydrophobicContact CB-CD2 4.08Å; P232-F252 HydrophobicContact CB-CG 4.06Å; F233-F252 HydrophobicContact CD1-CB 4.45Å; F233-F252 HydrophobicContact CE1-CB 3.9Å; F233-F252 AromaticContact CE1-CD1 3.98Å; F233-F252 HydrophobicContact CE1-CD1 3.98Å; F233-F252 HydrophobicContact CE1-CG 4.29Å; F233-F252 HydrophobicContact CZ-CB 4.47Å; F233-F252 AromaticContact CZ-CD1 3.87Å; F233-F252 HydrophobicContact CZ-CD1 3.87Å; F233-F252 HydrophobicContact CZ-CG 4.39Å; G250-F252 WeakPolarHBondContact O-CD1 3.21Å; F252-F254 HydrophobicContact CD2-CE2 4.37Å; F252-F254 AromaticContact CE2-CE2 3.66Å; F252-F254 HydrophobicContact CE2-CE2 3.66Å; F252-F254 AromaticContact CE2-CZ 3.76Å; F252-F254 HydrophobicContact CE2-CZ 3.76Å; F252-V267 HydrophobicContact CE2-CG1 3.88Å; F252-V267 HydrophobicContact CZ-CG1 4.08Å; F252-R268 HydrophobicContact CE2-CG 4.49Å; F252-R268 HydrophobicContact CZ-CG 3.93Å; F252-L271 HydrophobicContact CD1-CD1 4.31Å; F252-L271 HydrophobicContact CD2-CD1 4.45Å; F252-L271 HydrophobicContact CE1-CB 3.62Å; F252-L271 HydrophobicContact CE1-CD1 3.85Å; F252-L271 HydrophobicContact CE1-CG 4.36Å; F252-L271 HydrophobicContact CE2-CD1 3.99Å; F252-L271 HydrophobicContact CZ-CB 3.86Å; F252-L271 HydrophobicContact CZ-CD1 3.67Å; F252-L271 HydrophobicContact CZ-CG 4.29Å | ||
| 253 | D | 93.3 | Very high | 91.6 | Very high | 116 Ų | 116 | 66.7 Ų | 66.7 | 62% | 0.62 | 35% | 0.351 | S | S | * | . | trans | -127.9 | 157.8 | 178.5 | -84.2 | -42.7 | 0 | 0 | 0 | 111.1 | Y224 | Y224-D253 PolarHBondContact OH-O 3.37Š| ||
| 254 | F | 94.4 | Very high | 91.8 | Very high | 16 Ų | 16 | 67.7 Ų | 67.7 | 7% | 0.07 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 141.8 | 173.4 | -64.8 | -92 | 0 | 0 | 0 | 109.2 | Y224 V228 F252 D256 V259 K264 V267 R268 | Y224-F254 AromaticContact CD2-CD1 3.96Å; Y224-F254 HydrophobicContact CD2-CD1 3.96Å; Y224-F254 AromaticContact CD2-CE1 3.45Å; Y224-F254 HydrophobicContact CD2-CE1 3.45Å; Y224-F254 VanDerWaalsContact CD2-CE1 3.45Å; Y224-F254 AromaticContact CD2-CZ 3.9Å; Y224-F254 HydrophobicContact CD2-CZ 3.9Å; Y224-F254 AromaticContact CE2-CD1 3.75Å; Y224-F254 HydrophobicContact CE2-CD1 3.75Å; Y224-F254 AromaticContact CE2-CE1 3.73Å; Y224-F254 HydrophobicContact CE2-CE1 3.73Å; Y224-F254 HydrophobicContact CE2-CG 4.29Å; Y224-F254 HydrophobicContact CE2-CZ 4.23Å; V228-F254 HydrophobicContact CG2-CD1 4.34Å; F252-F254 HydrophobicContact CD2-CE2 4.37Å; F252-F254 AromaticContact CE2-CE2 3.66Å; F252-F254 HydrophobicContact CE2-CE2 3.66Å; F252-F254 AromaticContact CE2-CZ 3.76Å; F252-F254 HydrophobicContact CE2-CZ 3.76Å; F254-D256 PolarHBondContact O-N 2.98Å; F254-V259 HydrophobicContact CD1-CB 4.04Å; F254-V259 HydrophobicContact CD1-CG1 3.96Å; F254-V259 HydrophobicContact CD1-CG2 3.93Å; F254-V259 HydrophobicContact CE1-CG1 4.14Å; F254-K264 HydrophobicContact CB-CD 4.34Å; F254-K264 HydrophobicContact CB-CG 4.44Å; F254-K264 HydrophobicContact CD1-CG 4.06Å; F254-K264 HydrophobicContact CD2-CB 4.13Å; F254-K264 HydrophobicContact CD2-CD 3.98Å; F254-K264 HydrophobicContact CD2-CG 3.68Å; F254-K264 HydrophobicContact CE1-CG 4.2Å; F254-K264 HydrophobicContact CE2-CB 3.84Å; F254-K264 HydrophobicContact CE2-CG 3.85Å; F254-K264 HydrophobicContact CG-CD 4.13Å; F254-K264 HydrophobicContact CG-CG 3.78Å; F254-K264 HydrophobicContact CZ-CB 4.11Å; F254-K264 HydrophobicContact CZ-CG 4.1Å; F254-V267 HydrophobicContact CE1-CB 4.42Å; F254-V267 HydrophobicContact CE1-CG1 4.28Å; F254-V267 HydrophobicContact CZ-CB 3.82Å; F254-V267 HydrophobicContact CZ-CG1 3.7Å; F254-V267 HydrophobicContact CZ-CG2 4.46Å; F254-R268 HydrophobicContact CE2-CG 4.25Å |
| 255 | P | 88.7 | Confident | 91.9 | Very high | 44 Ų | 44 | 66.2 Ų | 66.2 | 29% | 0.286 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 137.1 | 165.9 | 26.2 | -32.1 | 0 | 0 | 0 | 109.6 | V228 I258 | V228-P255 HydrophobicContact CG1-CG 3.95Å; V228-P255 HydrophobicContact CG2-CG 4.24Å; P255-I258 HydrophobicContact CB-CD1 4.14Å; P255-I258 HydrophobicContact CG-CD1 3.99Å |
| 256 | D | 76.4 | Confident | 92.1 | Very high | 139 Ų | 139 | 61 Ų | 61 | 74% | 0.743 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 146.6 | -178.8 | -68.4 | -41.3 | 0 | 0 | 0 | 111.1 | F254 I258 | F254-D256 PolarHBondContact O-N 2.98Å; D256-I258 PolarHBondContact O-N 3.31Å |
| 257 | E | 77.2 | Confident | 92.3 | Very high | 195 Ų | 195 | 57.2 Ų | 57.2 | 91% | 0.911 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | -15.4 | 173.1 | -52.7 | 179.6 | 174.5 | 0 | 0 | 118.4 | ||
| 258 | I | 81.2 | Confident | 92.4 | Very high | 88 Ų | 88 | 61.8 Ų | 61.8 | 45% | 0.451 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -36.7 | -175.4 | -58.8 | 179.2 | 0 | 0 | 0 | 112.8 | P255 D256 | P255-I258 HydrophobicContact CB-CD1 4.14Å; P255-I258 HydrophobicContact CG-CD1 3.99Å; D256-I258 PolarHBondContact O-N 3.31Å |
| 259 | V | 91.6 | Very high | 92.5 | Very high | 8 Ų | 8 | 63.6 Ų | 63.6 | 5% | 0.048 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -111.4 | 130.4 | -167.5 | -173.8 | 0 | 0 | 0 | 0 | 111 | L227 V228 F254 A263 K264 | L227-V259 HydrophobicContact CB-CG2 4.08Å; L227-V259 HydrophobicContact CD1-CG1 3.95Å; V228-V259 HydrophobicContact CG2-CG2 4.22Å; F254-V259 HydrophobicContact CD1-CB 4.04Å; F254-V259 HydrophobicContact CD1-CG1 3.96Å; F254-V259 HydrophobicContact CD1-CG2 3.93Å; F254-V259 HydrophobicContact CE1-CG1 4.14Å; V259-A263 HydrophobicContact CG1-CB 3.57Å; V259-K264 HydrophobicContact CB-CG 4.19Å; V259-K264 HydrophobicContact CG1-CG 3.79Å; V259-K264 WeakPolarHBondContact O-CE 3.39Å; V259-K264 PolarHBondContact O-NZ 2.99Å |
| 260 | D | 93.3 | Very high | 92.7 | Very high | 54 Ų | 54 | 59.9 Ų | 59.9 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | trans | -70.9 | 155.3 | 177.9 | 75.1 | 83.5 | 0 | 0 | 0 | 112.6 | S135 N262 A263 K264 | S135-D260 WeakPolarHBondContact CB-OD2 3.42Å; S135-D260 PolarHBondContact OG-OD2 3.1Å; D260-N262 VanDerWaalsContact C-N 3.29Å; D260-N262 PolarHBondContact O-N 3.33Å; D260-N262 WeakPolarHBondContact OD1-CA 3.25Å; D260-N262 WeakPolarHBondContact OD1-CB 3.48Å; D260-N262 PolarHBondContact OD1-N 2.83Å; D260-A263 WeakPolarHBondContact O-CB 3.19Å; D260-A263 PolarHBondContact O-N 3.19Å; D260-A263 VanDerWaalsContact O-N 3.14Å; D260-A263 PolarHBondContact OD1-N 2.7Å; D260-A263 WeakPolarHBondContact OD2-CB 3.34Å; D260-K264 WeakPolarHBondContact O-CG 2.93Å; D260-K264 PolarHBondContact O-N 2.79Å | ||
| 261 | E | 95.1 | Very high | 92.9 | Very high | 120 Ų | 120 | 59.3 Ų | 59.3 | 56% | 0.561 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.4 | -30.5 | -174.1 | -69.5 | -54.3 | 127.9 | 0 | 0 | 113.8 | K264 S265 | E261-K264 IonicContact OE1-NZ 2.75Å; E261-K264 PolarHBondContact OE1-NZ 2.83Å; E261-S265 WeakPolarHBondContact O-CB 3.41Å; E261-S265 PolarHBondContact O-N 3.2Å |
| 262 | N | 96.6 | Very high | 93.2 | Very high | 72 Ų | 72 | 59.3 Ų | 59.3 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.8 | -39 | 176.1 | -75.1 | -30.5 | 0 | 0 | 0 | 110.9 | D260 S265 I266 W294 | D260-N262 VanDerWaalsContact C-N 3.29Å; D260-N262 PolarHBondContact O-N 3.33Å; D260-N262 WeakPolarHBondContact OD1-CA 3.25Å; D260-N262 WeakPolarHBondContact OD1-CB 3.48Å; D260-N262 PolarHBondContact OD1-N 2.83Å; N262-S265 WeakPolarHBondContact O-CB 3.43Å; N262-S265 PolarHBondContact O-N 3.1Å; N262-I266 PolarHBondContact O-N 2.77Å; N262-W294 HydrophobicContact CB-CB 3.89Å; N262-W294 HydrophobicContact CB-CG 4.25Å |
| 263 | A | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L227 V259 D260 S265 I266 V267 W294 | L227-A263 HydrophobicContact CD1-CB 3.91Å; V259-A263 HydrophobicContact CG1-CB 3.57Å; D260-A263 WeakPolarHBondContact O-CB 3.19Å; D260-A263 PolarHBondContact O-N 3.19Å; D260-A263 VanDerWaalsContact O-N 3.14Å; D260-A263 PolarHBondContact OD1-N 2.7Å; D260-A263 WeakPolarHBondContact OD2-CB 3.34Å; A263-S265 VanDerWaalsContact C-N 3.28Å; A263-S265 PolarHBondContact O-N 3.24Å; A263-I266 WeakPolarHBondContact O-CG2 3.48Å; A263-I266 PolarHBondContact O-N 2.88Å; A263-V267 WeakPolarHBondContact O-CG2 3.09Å; A263-V267 PolarHBondContact O-N 2.76Å; A263-V267 VanDerWaalsContact O-N 3.15Å; A263-W294 VanDerWaalsContact CA-CD1 3.47Å; A263-W294 HydrophobicContact CB-CG 4.48Å; A263-W294 HydrophobicContact CB-CZ2 4.26Å; A263-W294 VanDerWaalsContact CB-NE1 3.31Å |
| 264 | K | 97.1 | Very high | 93.3 | Very high | 23 Ų | 23 | 58 Ų | 58 | 10% | 0.1 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 174.5 | -64.8 | -177.5 | -172.3 | 156.4 | 0 | 111.3 | F254 V259 D260 E261 V267 R268 | F254-K264 HydrophobicContact CB-CD 4.34Å; F254-K264 HydrophobicContact CB-CG 4.44Å; F254-K264 HydrophobicContact CD1-CG 4.06Å; F254-K264 HydrophobicContact CD2-CB 4.13Å; F254-K264 HydrophobicContact CD2-CD 3.98Å; F254-K264 HydrophobicContact CD2-CG 3.68Å; F254-K264 HydrophobicContact CE1-CG 4.2Å; F254-K264 HydrophobicContact CE2-CB 3.84Å; F254-K264 HydrophobicContact CE2-CG 3.85Å; F254-K264 HydrophobicContact CG-CD 4.13Å; F254-K264 HydrophobicContact CG-CG 3.78Å; F254-K264 HydrophobicContact CZ-CB 4.11Å; F254-K264 HydrophobicContact CZ-CG 4.1Å; V259-K264 HydrophobicContact CB-CG 4.19Å; V259-K264 HydrophobicContact CG1-CG 3.79Å; V259-K264 WeakPolarHBondContact O-CE 3.39Å; V259-K264 PolarHBondContact O-NZ 2.99Å; D260-K264 WeakPolarHBondContact O-CG 2.93Å; D260-K264 PolarHBondContact O-N 2.79Å; E261-K264 IonicContact OE1-NZ 2.75Å; E261-K264 PolarHBondContact OE1-NZ 2.83Å; K264-V267 PolarHBondContact O-N 2.79Å; K264-R268 WeakPolarHBondContact O-CB 3.39Å; K264-R268 VanDerWaalsContact O-CG 3.29Å; K264-R268 WeakPolarHBondContact O-CG 3.41Å; K264-R268 PolarHBondContact O-N 2.79Å |
| 265 | S | 97.1 | Very high | 93.2 | Very high | 41 Ų | 41 | 59.4 Ų | 59.4 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.5 | -48.5 | -178.9 | -179.8 | 0 | 0 | 0 | 0 | 112.5 | E261 N262 A263 R268 K269 H292 | E261-S265 WeakPolarHBondContact O-CB 3.41Å; E261-S265 PolarHBondContact O-N 3.2Å; N262-S265 WeakPolarHBondContact O-CB 3.43Å; N262-S265 PolarHBondContact O-N 3.1Å; A263-S265 VanDerWaalsContact C-N 3.28Å; A263-S265 PolarHBondContact O-N 3.24Å; S265-R268 PolarHBondContact O-N 2.87Å; S265-K269 WeakPolarHBondContact O-CG 3.22Å; S265-K269 PolarHBondContact O-N 2.9Å; S265-H292 PolarHBondContact OG-NE2 3.38Å |
| 266 | I | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 179.5 | -172.8 | 69.9 | 0 | 0 | 0 | 111.6 | N262 A263 K269 F270 L279 H292 W294 F295 | N262-I266 PolarHBondContact O-N 2.77Å; A263-I266 WeakPolarHBondContact O-CG2 3.48Å; A263-I266 PolarHBondContact O-N 2.88Å; I266-K269 WeakPolarHBondContact O-CB 3.44Å; I266-K269 PolarHBondContact O-N 2.66Å; I266-F270 HydrophobicContact CD1-CD2 4.24Å; I266-F270 HydrophobicContact CD1-CE2 3.75Å; I266-F270 HydrophobicContact CD1-CZ 4.22Å; I266-F270 HydrophobicContact CG1-CD2 3.8Å; I266-F270 HydrophobicContact CG1-CE2 3.5Å; I266-F270 VanDerWaalsContact CG1-CE2 3.5Å; I266-F270 HydrophobicContact CG1-CZ 4.42Å; I266-F270 WeakPolarHBondContact O-CD2 3.19Å; I266-F270 PolarHBondContact O-N 2.61Å; I266-L279 HydrophobicContact CD1-CD2 3.32Å; I266-H292 HydrophobicContact CD1-CB 3.77Å; I266-H292 VanDerWaalsContact CD1-CG 3.47Å; I266-H292 PolarHBondContact N-CE1 3.31Å; I266-W294 HydrophobicContact CB-CB 4.36Å; I266-W294 HydrophobicContact CG2-CB 4.08Å; I266-W294 HydrophobicContact CG2-CD2 3.77Å; I266-W294 HydrophobicContact CG2-CE3 3.59Å; I266-W294 HydrophobicContact CG2-CG 4.01Å; I266-W294 HydrophobicContact CG2-CZ3 4.22Å; I266-F295 HydrophobicContact CD1-CE2 4.37Å; I266-F295 HydrophobicContact CG1-CE2 4.28Å |
| 267 | V | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 179.2 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | I223 Y224 L227 F252 F254 A263 K264 K269 F270 L271 | I223-V267 HydrophobicContact CB-CG2 4Å; I223-V267 HydrophobicContact CG2-CG2 3.41Å; I223-V267 VanDerWaalsContact CG2-CG2 3.41Å; Y224-V267 HydrophobicContact CD2-CG1 4.15Å; L227-V267 HydrophobicContact CD1-CG2 4.43Å; F252-V267 HydrophobicContact CE2-CG1 3.88Å; F252-V267 HydrophobicContact CZ-CG1 4.08Å; F254-V267 HydrophobicContact CE1-CB 4.42Å; F254-V267 HydrophobicContact CE1-CG1 4.28Å; F254-V267 HydrophobicContact CZ-CB 3.82Å; F254-V267 HydrophobicContact CZ-CG1 3.7Å; F254-V267 HydrophobicContact CZ-CG2 4.46Å; A263-V267 WeakPolarHBondContact O-CG2 3.09Å; A263-V267 PolarHBondContact O-N 2.76Å; A263-V267 VanDerWaalsContact O-N 3.15Å; K264-V267 PolarHBondContact O-N 2.79Å; V267-K269 PolarHBondContact O-N 2.87Å; V267-F270 PolarHBondContact O-N 3.38Å; V267-F270 VanDerWaalsContact O-N 3.15Å; V267-L271 HydrophobicContact CG1-CD1 3.68Å; V267-L271 HydrophobicContact CG1-CG 4.17Å; V267-L271 WeakPolarHBondContact O-CB 3.41Å; V267-L271 WeakPolarHBondContact O-CG 3.43Å; V267-L271 PolarHBondContact O-N 2.73Å |
| 268 | R | 97.6 | Very high | 95 | Very high | 96 Ų | 96 | 54.4 Ų | 54.4 | 36% | 0.362 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.7 | -32.2 | 175.2 | -75.4 | 178.9 | -179.2 | 134.9 | -3.3 | 113.1 | F252 F254 K264 S265 R272 | F252-R268 HydrophobicContact CE2-CG 4.49Å; F252-R268 HydrophobicContact CZ-CG 3.93Å; F254-R268 HydrophobicContact CE2-CG 4.25Å; K264-R268 WeakPolarHBondContact O-CB 3.39Å; K264-R268 VanDerWaalsContact O-CG 3.29Å; K264-R268 WeakPolarHBondContact O-CG 3.41Å; K264-R268 PolarHBondContact O-N 2.79Å; S265-R268 PolarHBondContact O-N 2.87Å; R268-R272 WeakPolarHBondContact O-CG 3.37Å |
| 269 | K | 97.2 | Very high | 95.6 | Very high | 86 Ų | 86 | 50.7 Ų | 50.7 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -72.7 | -38.6 | 175.6 | -78.3 | 178.4 | 179.9 | 173.7 | 0 | 112.6 | S265 I266 V267 L279 H292 | S265-K269 WeakPolarHBondContact O-CG 3.22Å; S265-K269 PolarHBondContact O-N 2.9Å; I266-K269 WeakPolarHBondContact O-CB 3.44Å; I266-K269 PolarHBondContact O-N 2.66Å; V267-K269 PolarHBondContact O-N 2.87Å; K269-L279 HydrophobicContact CB-CB 3.82Å; K269-L279 HydrophobicContact CB-CD2 3.99Å; K269-L279 HydrophobicContact CD-CD2 4.44Å; K269-L279 PolarHBondContact O-N 3.2Å; K269-H292 PolarHBondContact NZ-CD2 3.21Å; K269-H292 VanDerWaalsContact NZ-CD2 3.32Å; K269-H292 PolarHBondContact NZ-NE2 2.88Å; K269-H292 VanDerWaalsContact NZ-NE2 3.13Å |
| 270 | F | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.4 | -36.3 | 173.3 | -78 | -51.6 | 0 | 0 | 0 | 113 | W216 T219 I223 I266 V267 R272 R278 L279 I289 | W216-F270 HydrophobicContact CB-CD1 3.88Å; W216-F270 HydrophobicContact CB-CE1 3.95Å; W216-F270 HydrophobicContact CD2-CE1 4.25Å; W216-F270 AromaticContact CE3-CE1 3.87Å; W216-F270 HydrophobicContact CE3-CE1 3.87Å; W216-F270 HydrophobicContact CE3-CZ 4.25Å; W216-F270 HydrophobicContact CG-CE1 4.33Å; W216-F270 VanDerWaalsContact O-CD1 3.31Å; W216-F270 WeakPolarHBondContact O-CD1 3.48Å; T219-F270 HydrophobicContact CG2-CE2 4.26Å; T219-F270 HydrophobicContact CG2-CZ 4.38Å; I223-F270 HydrophobicContact CD1-CD2 4.23Å; I223-F270 HydrophobicContact CD1-CE2 3.98Å; I266-F270 HydrophobicContact CD1-CD2 4.24Å; I266-F270 HydrophobicContact CD1-CE2 3.75Å; I266-F270 HydrophobicContact CD1-CZ 4.22Å; I266-F270 HydrophobicContact CG1-CD2 3.8Å; I266-F270 HydrophobicContact CG1-CE2 3.5Å; I266-F270 VanDerWaalsContact CG1-CE2 3.5Å; I266-F270 HydrophobicContact CG1-CZ 4.42Å; I266-F270 WeakPolarHBondContact O-CD2 3.19Å; I266-F270 PolarHBondContact O-N 2.61Å; V267-F270 PolarHBondContact O-N 3.38Å; V267-F270 VanDerWaalsContact O-N 3.15Å; F270-R272 VanDerWaalsContact C-N 3.28Å; F270-R272 PolarHBondContact O-N 3.47Å; F270-R278 WeakPolarHBondContact O-CD 3.3Å; F270-R278 VanDerWaalsContact O-CG 3.22Å; F270-R278 WeakPolarHBondContact O-CG 3.42Å; F270-L279 HydrophobicContact CD1-CB 4.25Å; F270-L279 HydrophobicContact CD1-CD2 4.23Å; F270-L279 HydrophobicContact CD1-CG 4.33Å; F270-L279 WeakPolarHBondContact CD1-O 3.43Å; F270-L279 HydrophobicContact CE1-CD2 3.96Å; F270-L279 HydrophobicContact CE1-CG 4.1Å; F270-L279 HydrophobicContact CE2-CD2 4.47Å; F270-L279 HydrophobicContact CZ-CD2 4.09Å; F270-I289 HydrophobicContact CE1-CD1 3.83Å; F270-I289 HydrophobicContact CE1-CG1 3.87Å; F270-I289 HydrophobicContact CZ-CD1 4.18Å; F270-I289 HydrophobicContact CZ-CG1 3.93Å; F270-I289 HydrophobicContact CZ-CG2 3.99Å |
| 271 | L | 97.7 | Very high | 95.4 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 30.8 | -176.6 | -59.3 | -174 | 0 | 0 | 0 | 113.4 | W217 I221 P232 F233 F252 V267 | W217-L271 HydrophobicContact CD2-CD2 3.93Å; W217-L271 HydrophobicContact CE3-CD2 4.14Å; W217-L271 HydrophobicContact CG-CD2 4.33Å; W217-L271 HydrophobicContact CZ2-CD2 4.4Å; W217-L271 VanDerWaalsContact CZ3-C 3.46Å; W217-L271 HydrophobicContact CZ3-CB 4.33Å; W217-L271 HydrophobicContact CZ3-CD2 4.49Å; W217-L271 WeakPolarHBondContact CZ3-O 3.29Å; W217-L271 VanDerWaalsContact O-CD2 3.29Å; W217-L271 WeakPolarHBondContact O-CD2 3.48Å; I221-L271 HydrophobicContact CG1-CD2 3.72Å; P232-L271 HydrophobicContact CB-CD1 4.4Å; P232-L271 HydrophobicContact CG-CD1 3.91Å; F233-L271 HydrophobicContact CE2-CD1 4.31Å; F233-L271 HydrophobicContact CE2-CD2 4.5Å; F233-L271 HydrophobicContact CZ-CD1 4.44Å; F252-L271 HydrophobicContact CD1-CD1 4.31Å; F252-L271 HydrophobicContact CD2-CD1 4.45Å; F252-L271 HydrophobicContact CE1-CB 3.62Å; F252-L271 HydrophobicContact CE1-CD1 3.85Å; F252-L271 HydrophobicContact CE1-CG 4.36Å; F252-L271 HydrophobicContact CE2-CD1 3.99Å; F252-L271 HydrophobicContact CZ-CB 3.86Å; F252-L271 HydrophobicContact CZ-CD1 3.67Å; F252-L271 HydrophobicContact CZ-CG 4.29Å; V267-L271 HydrophobicContact CG1-CD1 3.68Å; V267-L271 HydrophobicContact CG1-CG 4.17Å; V267-L271 WeakPolarHBondContact O-CB 3.41Å; V267-L271 WeakPolarHBondContact O-CG 3.43Å; V267-L271 PolarHBondContact O-N 2.73Å |
| 272 | R | 97 | Very high | 95 | Very high | 116 Ų | 116 | 46.2 Ų | 46.2 | 44% | 0.438 | 23% | 0.233 | S | C | . | . | trans | -76.7 | 124.1 | 169 | -67.5 | -65 | -178 | 174 | -2.6 | 110.5 | R268 F270 N274 E277 R278 | R268-R272 WeakPolarHBondContact O-CG 3.37Å; F270-R272 VanDerWaalsContact C-N 3.28Å; F270-R272 PolarHBondContact O-N 3.47Å; R272-N274 VanDerWaalsContact C-N 3.35Å; R272-E277 HydrophobicContact CB-CB 4.17Å; R272-E277 HydrophobicContact CG-CB 4.13Å; R272-R278 HydrophobicContact CB-CB 3.99Å; R272-R278 HydrophobicContact CB-CG 4.47Å; R272-R278 PolarHBondContact O-NE 3.41Å; R272-R278 PolarHBondContact O-NH2 3.28Å | ||
| 273 | V | 96.2 | Very high | 93.9 | Very high | 47 Ų | 47 | 52.9 Ų | 52.9 | 29% | 0.285 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -65 | -41.5 | 176 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | P202 W217 G250 L275 | P202-V273 HydrophobicContact CB-CG1 4.01Å; P202-V273 HydrophobicContact CG-CB 4.41Å; P202-V273 HydrophobicContact CG-CG1 4.1Å; P202-V273 HydrophobicContact CG-CG2 4.19Å; W217-V273 HydrophobicContact CH2-CG2 4.19Å; W217-V273 HydrophobicContact CZ3-CG2 4.29Å; G250-V273 VanDerWaalsContact CA-CG2 3.43Å; V273-L275 PolarHBondContact O-N 2.71Å |
| 274 | N | 93.7 | Very high | 93 | Very high | 69 Ų | 69 | 58.4 Ų | 58.4 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -70.9 | 114.4 | 174.1 | -175 | -2.1 | 0 | 0 | 0 | 110.2 | R272 N276 E277 R278 | R272-N274 VanDerWaalsContact C-N 3.35Å; N274-N276 PolarHBondContact O-N 3.03Å; N274-N276 PolarHBondContact OD1-N 2.93Å; N274-N276 VanDerWaalsContact OD1-N 3.11Å; N274-E277 HydrophobicContact CB-CB 4.29Å; N274-E277 HydrophobicContact CB-CG 4.25Å; N274-E277 PolarHBondContact ND2-OE1 2.99Å; N274-E277 PolarHBondContact O-N 3.35Å; N274-R278 PolarHBondContact O-N 3.26Å |
| 275 | L | 92.3 | Very high | 92.4 | Very high | 44 Ų | 44 | 57.7 Ų | 57.7 | 23% | 0.23 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -34.8 | 178.7 | -76.1 | 170.5 | 0 | 0 | 0 | 113 | E203 A213 V273 E277 R278 S281 | E203-L275 HydrophobicContact CB-CD1 4.18Å; E203-L275 HydrophobicContact CG-CD1 4.27Å; E203-L275 HydrophobicContact CG-CD2 4.41Å; A213-L275 HydrophobicContact CB-CD2 3.98Å; V273-L275 PolarHBondContact O-N 2.71Å; L275-E277 PolarHBondContact O-N 3.26Å; L275-R278 PolarHBondContact O-N 3.12Å; L275-S281 WeakPolarHBondContact O-CB 3.41Å; L275-S281 PolarHBondContact O-OG 2.95Å |
| 276 | N | 90.9 | Very high | 92.2 | Very high | 154 Ų | 154 | 57.4 Ų | 57.4 | 82% | 0.824 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -18.9 | -179.5 | -63.9 | -29.1 | 0 | 0 | 0 | 113 | N274 | N274-N276 PolarHBondContact O-N 3.03Å; N274-N276 PolarHBondContact OD1-N 2.93Å; N274-N276 VanDerWaalsContact OD1-N 3.11Å |
| 277 | E | 93.5 | Very high | 92 | Very high | 113 Ų | 113 | 64.9 Ų | 64.9 | 53% | 0.528 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -12.3 | 177.7 | -65.9 | 167.2 | -152.7 | 0 | 0 | 112 | R272 N274 L275 L279 | R272-E277 HydrophobicContact CB-CB 4.17Å; R272-E277 HydrophobicContact CG-CB 4.13Å; N274-E277 HydrophobicContact CB-CB 4.29Å; N274-E277 HydrophobicContact CB-CG 4.25Å; N274-E277 PolarHBondContact ND2-OE1 2.99Å; N274-E277 PolarHBondContact O-N 3.35Å; L275-E277 PolarHBondContact O-N 3.26Å; E277-L279 PolarHBondContact O-N 3.34Å |
| 278 | R | 95.7 | Very high | 91.9 | Very high | 7 Ų | 7 | 69.5 Ų | 69.5 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -75 | 124 | -177.1 | -170.4 | -174.3 | -58.2 | 161.6 | 4.7 | 110.5 | E203 A213 F270 R272 N274 L275 G280 S281 | E203-R278 VanDerWaalsContact CD-NH1 3.33Å; E203-R278 IonicContact OE1-CZ 3.75Å; E203-R278 IonicContact OE1-NH1 3.62Å; E203-R278 PolarHBondContact OE1-NH1 2.9Å; E203-R278 IonicContact OE1-NH2 3.88Å; E203-R278 IonicContact OE2-CZ 3.42Å; E203-R278 IonicContact OE2-NH1 3.6Å; E203-R278 PolarHBondContact OE2-NH1 3.07Å; E203-R278 VanDerWaalsContact OE2-NH1 3.16Å; E203-R278 IonicContact OE2-NH2 2.79Å; E203-R278 PolarHBondContact OE2-NH2 2.75Å; A213-R278 PolarHBondContact O-NH1 2.84Å; F270-R278 WeakPolarHBondContact O-CD 3.3Å; F270-R278 VanDerWaalsContact O-CG 3.22Å; F270-R278 WeakPolarHBondContact O-CG 3.42Å; R272-R278 HydrophobicContact CB-CB 3.99Å; R272-R278 HydrophobicContact CB-CG 4.47Å; R272-R278 PolarHBondContact O-NE 3.41Å; R272-R278 PolarHBondContact O-NH2 3.28Å; N274-R278 PolarHBondContact O-N 3.26Å; L275-R278 PolarHBondContact O-N 3.12Å; R278-G280 PolarHBondContact O-N 3.01Å; R278-S281 WeakPolarHBondContact O-CB 3.33Å; R278-S281 PolarHBondContact O-N 2.88Å; R278-S281 PolarHBondContact O-OG 2.86Å; R278-S281 VanDerWaalsContact O-OG 3.12Å |
| 279 | L | 95.1 | Very high | 91.9 | Very high | 10 Ų | 10 | 65 Ų | 65 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 123.6 | 169.3 | -178.5 | 68.3 | 0 | 0 | 0 | 109.3 | I266 K269 F270 E277 E288 I289 | I266-L279 HydrophobicContact CD1-CD2 3.32Å; K269-L279 HydrophobicContact CB-CB 3.82Å; K269-L279 HydrophobicContact CB-CD2 3.99Å; K269-L279 HydrophobicContact CD-CD2 4.44Å; K269-L279 PolarHBondContact O-N 3.2Å; F270-L279 HydrophobicContact CD1-CB 4.25Å; F270-L279 HydrophobicContact CD1-CD2 4.23Å; F270-L279 HydrophobicContact CD1-CG 4.33Å; F270-L279 WeakPolarHBondContact CD1-O 3.43Å; F270-L279 HydrophobicContact CE1-CD2 3.96Å; F270-L279 HydrophobicContact CE1-CG 4.1Å; F270-L279 HydrophobicContact CE2-CD2 4.47Å; F270-L279 HydrophobicContact CZ-CD2 4.09Å; E277-L279 PolarHBondContact O-N 3.34Å; L279-E288 HydrophobicContact CD1-CB 3.46Å; L279-E288 VanDerWaalsContact CD1-CB 3.46Å; L279-I289 HydrophobicContact CD1-CG1 3.87Å; L279-I289 HydrophobicContact CD2-CG1 3.76Å; L279-I289 HydrophobicContact CG-CD1 4.4Å; L279-I289 HydrophobicContact CG-CG1 3.56Å |
| 280 | G | 91 | Very high | 91.9 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 110.5 | -7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | H212 W216 R278 S285 | H212-G280 PolarHBondContact CD2-O 3.42Å; H212-G280 PolarHBondContact NE2-O 2.84Å; W216-G280 VanDerWaalsContact CD1-O 3.24Å; R278-G280 PolarHBondContact O-N 3.01Å; G280-S285 VanDerWaalsContact C-OG 3.31Å; G280-S285 VanDerWaalsContact CA-OG 3.31Å; G280-S285 WeakPolarHBondContact CA-OG 3.38Å; G280-S285 PolarHBondContact O-OG 2.88Å |
| 281 | S | 89.6 | Confident | 91.8 | Very high | 35 Ų | 35 | 67.4 Ų | 67.4 | 25% | 0.245 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -95.7 | -17.8 | -174.1 | -54.3 | 0 | 0 | 0 | 0 | 115.1 | A213 L275 R278 | A213-S281 WeakPolarHBondContact CB-OG 3.4Å; L275-S281 WeakPolarHBondContact O-CB 3.41Å; L275-S281 PolarHBondContact O-OG 2.95Å; R278-S281 WeakPolarHBondContact O-CB 3.33Å; R278-S281 PolarHBondContact O-N 2.88Å; R278-S281 PolarHBondContact O-OG 2.86Å; R278-S281 VanDerWaalsContact O-OG 3.12Å |
| 282 | S | 85 | Confident | 91.8 | Very high | 53 Ų | 53 | 67.3 Ų | 67.3 | 37% | 0.371 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -93.4 | 165.6 | -179.9 | 72.5 | 0 | 0 | 0 | 0 | 111.5 | D284 S285 | S282-D284 PolarHBondContact O-N 2.96Å; S282-S285 VanDerWaalsContact O-CB 3.27Å; S282-S285 WeakPolarHBondContact O-CB 3.03Å; S282-S285 PolarHBondContact O-N 2.81Å; S282-S285 PolarHBondContact O-OG 3.1Å; S282-S285 WeakPolarHBondContact OG-CB 3.49Å; S282-S285 PolarHBondContact OG-N 2.84Å; S282-S285 VanDerWaalsContact OG-N 3.11Å |
| 283 | K | 74.9 | Confident | 91.8 | Very high | 211 Ų | 211 | 65 Ų | 65 | 92% | 0.917 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -30.3 | 175 | -70.6 | -176.5 | 177.9 | 179.1 | 0 | 112.9 | S285 | K283-S285 VanDerWaalsContact C-N 3.33Š|
| 284 | D | 77.5 | Confident | 91.9 | Very high | 117 Ų | 117 | 62.9 Ų | 62.9 | 63% | 0.626 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -2 | -179 | -57.5 | -47.8 | 0 | 0 | 0 | 112.6 | S282 M286 Y287 E288 | S282-D284 PolarHBondContact O-N 2.96Å; D284-M286 PolarHBondContact O-N 3.09Å; D284-Y287 WeakPolarHBondContact O-CB 3.15Å; D284-Y287 PolarHBondContact O-N 2.79Å; D284-E288 PolarHBondContact O-N 3.49Å |
| 285 | S | 84.4 | Confident | 92.1 | Very high | 7 Ų | 7 | 59.8 Ų | 59.8 | 5% | 0.049 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.5 | -29.1 | -171.1 | 68.9 | 0 | 0 | 0 | 0 | 113.7 | G280 S282 K283 Y287 E288 I289 | G280-S285 VanDerWaalsContact C-OG 3.31Å; G280-S285 VanDerWaalsContact CA-OG 3.31Å; G280-S285 WeakPolarHBondContact CA-OG 3.38Å; G280-S285 PolarHBondContact O-OG 2.88Å; S282-S285 VanDerWaalsContact O-CB 3.27Å; S282-S285 WeakPolarHBondContact O-CB 3.03Å; S282-S285 PolarHBondContact O-N 2.81Å; S282-S285 PolarHBondContact O-OG 3.1Å; S282-S285 WeakPolarHBondContact OG-CB 3.49Å; S282-S285 PolarHBondContact OG-N 2.84Å; S282-S285 VanDerWaalsContact OG-N 3.11Å; K283-S285 VanDerWaalsContact C-N 3.33Å; S285-Y287 VanDerWaalsContact C-N 3.29Å; S285-Y287 PolarHBondContact O-N 2.96Å; S285-E288 PolarHBondContact O-N 2.85Å; S285-I289 VanDerWaalsContact O-CG1 3.27Å; S285-I289 WeakPolarHBondContact O-CG1 3.49Å; S285-I289 PolarHBondContact O-N 2.9Å |
| 286 | M | 93.9 | Very high | 92.3 | Very high | 36 Ų | 36 | 62.7 Ų | 62.7 | 18% | 0.177 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 177.6 | -166.2 | 68.7 | -98 | 0 | 0 | 111 | I146 K150 W216 D284 I289 L290 | I146-M286 HydrophobicContact CG2-CE 3.64Å; K150-M286 HydrophobicContact CB-CE 4.46Å; K150-M286 HydrophobicContact CB-SD 3.54Å; K150-M286 VanDerWaalsContact CB-SD 3.54Å; K150-M286 HydrophobicContact CD-CE 4.48Å; K150-M286 HydrophobicContact CD-CG 3.8Å; K150-M286 HydrophobicContact CD-SD 3.72Å; K150-M286 HydrophobicContact CG-CG 3.93Å; K150-M286 HydrophobicContact CG-SD 3.48Å; K150-M286 WeakPolarHBondContact CG-SD 3.25Å; W216-M286 HydrophobicContact CH2-CE 3.96Å; W216-M286 HydrophobicContact CH2-SD 4.08Å; W216-M286 HydrophobicContact CZ2-CE 4.26Å; W216-M286 HydrophobicContact CZ2-SD 3.94Å; D284-M286 PolarHBondContact O-N 3.09Å; M286-I289 HydrophobicContact CE-CB 3.73Å; M286-I289 HydrophobicContact CE-CD1 3.98Å; M286-I289 HydrophobicContact CE-CG1 4.46Å; M286-I289 HydrophobicContact CE-CG2 3.75Å; M286-I289 PolarHBondContact O-N 3.06Å; M286-L290 HydrophobicContact CE-CD1 4.26Å; M286-L290 HydrophobicContact CE-CD2 3.82Å; M286-L290 HydrophobicContact CE-CG 3.71Å; M286-L290 HydrophobicContact CG-CD1 4.06Å; M286-L290 HydrophobicContact CG-CG 4.47Å; M286-L290 WeakPolarHBondContact O-CG 3.41Å; M286-L290 PolarHBondContact O-N 3.34Å; M286-L290 VanDerWaalsContact O-N 3.1Å |
| 287 | Y | 93.9 | Very high | 92.5 | Very high | 157 Ų | 157 | 60 Ų | 60 | 62% | 0.616 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.8 | -45.2 | 176.4 | 178.1 | -102.2 | 0 | 0 | 0 | 110.8 | D284 S285 I289 L290 E291 | D284-Y287 WeakPolarHBondContact O-CB 3.15Å; D284-Y287 PolarHBondContact O-N 2.79Å; S285-Y287 VanDerWaalsContact C-N 3.29Å; S285-Y287 PolarHBondContact O-N 2.96Å; Y287-I289 VanDerWaalsContact C-N 3.28Å; Y287-I289 PolarHBondContact O-N 2.77Å; Y287-L290 PolarHBondContact O-N 3.12Å; Y287-L290 VanDerWaalsContact O-N 3.15Å; Y287-E291 HydrophobicContact CD1-CG 4.32Å; Y287-E291 HydrophobicContact CD2-CG 3.78Å; Y287-E291 HydrophobicContact CE1-CG 3.98Å; Y287-E291 HydrophobicContact CE2-CG 3.38Å; Y287-E291 HydrophobicContact CG-CG 4.23Å; Y287-E291 VanDerWaalsContact CZ-CG 3.5Å; Y287-E291 WeakPolarHBondContact O-CB 3.14Å; Y287-E291 WeakPolarHBondContact O-CG 3.13Å; Y287-E291 PolarHBondContact O-N 3.31Å |
| 288 | E | 95 | Very high | 92.7 | Very high | 97 Ų | 97 | 55.9 Ų | 55.9 | 45% | 0.453 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.7 | -36.3 | 178.1 | -63.8 | 176.5 | -135.3 | 0 | 0 | 113.4 | L279 D284 S285 H292 | L279-E288 HydrophobicContact CD1-CB 3.46Å; L279-E288 VanDerWaalsContact CD1-CB 3.46Å; D284-E288 PolarHBondContact O-N 3.49Å; S285-E288 PolarHBondContact O-N 2.85Å; E288-H292 PolarHBondContact O-N 3.49Å |
| 289 | I | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.3 | -49.4 | 174.7 | -67.8 | 163.3 | 0 | 0 | 0 | 110.2 | I146 W216 F270 L279 S285 M286 Y287 E291 H292 F295 | I146-I289 HydrophobicContact CD1-CG2 3.82Å; I146-I289 HydrophobicContact CG1-CG2 4.2Å; I146-I289 HydrophobicContact CG2-CG2 3.89Å; W216-I289 HydrophobicContact CD2-CD1 3.74Å; W216-I289 HydrophobicContact CE3-CD1 3.87Å; W216-I289 HydrophobicContact CG-CD1 4.36Å; W216-I289 HydrophobicContact CH2-CD1 4.09Å; W216-I289 HydrophobicContact CZ2-CD1 3.94Å; W216-I289 HydrophobicContact CZ3-CD1 4.06Å; F270-I289 HydrophobicContact CE1-CD1 3.83Å; F270-I289 HydrophobicContact CE1-CG1 3.87Å; F270-I289 HydrophobicContact CZ-CD1 4.18Å; F270-I289 HydrophobicContact CZ-CG1 3.93Å; F270-I289 HydrophobicContact CZ-CG2 3.99Å; L279-I289 HydrophobicContact CD1-CG1 3.87Å; L279-I289 HydrophobicContact CD2-CG1 3.76Å; L279-I289 HydrophobicContact CG-CD1 4.4Å; L279-I289 HydrophobicContact CG-CG1 3.56Å; S285-I289 VanDerWaalsContact O-CG1 3.27Å; S285-I289 WeakPolarHBondContact O-CG1 3.49Å; S285-I289 PolarHBondContact O-N 2.9Å; M286-I289 HydrophobicContact CE-CB 3.73Å; M286-I289 HydrophobicContact CE-CD1 3.98Å; M286-I289 HydrophobicContact CE-CG1 4.46Å; M286-I289 HydrophobicContact CE-CG2 3.75Å; M286-I289 PolarHBondContact O-N 3.06Å; Y287-I289 VanDerWaalsContact C-N 3.28Å; Y287-I289 PolarHBondContact O-N 2.77Å; I289-E291 VanDerWaalsContact C-N 3.33Å; I289-E291 PolarHBondContact O-N 2.77Å; I289-H292 WeakPolarHBondContact O-CB 3.42Å; I289-H292 PolarHBondContact O-N 2.73Å; I289-F295 WeakPolarHBondContact O-CD2 3.49Å |
| 290 | L | 96.7 | Very high | 93 | Very high | 22 Ų | 22 | 59.6 Ų | 59.6 | 12% | 0.115 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.2 | -30.5 | -173.4 | -64 | 173.7 | 0 | 0 | 0 | 113 | I146 K150 M286 Y287 W300 | I146-L290 HydrophobicContact CG2-CD2 3.92Å; K150-L290 HydrophobicContact CD-CD1 4.41Å; M286-L290 HydrophobicContact CE-CD1 4.26Å; M286-L290 HydrophobicContact CE-CD2 3.82Å; M286-L290 HydrophobicContact CE-CG 3.71Å; M286-L290 HydrophobicContact CG-CD1 4.06Å; M286-L290 HydrophobicContact CG-CG 4.47Å; M286-L290 WeakPolarHBondContact O-CG 3.41Å; M286-L290 PolarHBondContact O-N 3.34Å; M286-L290 VanDerWaalsContact O-N 3.1Å; Y287-L290 PolarHBondContact O-N 3.12Å; Y287-L290 VanDerWaalsContact O-N 3.15Å; L290-W300 HydrophobicContact CB-CZ2 4.13Å; L290-W300 HydrophobicContact CD2-CD2 3.51Å; L290-W300 HydrophobicContact CD2-CE3 3.65Å; L290-W300 HydrophobicContact CD2-CG 4.24Å; L290-W300 HydrophobicContact CD2-CH2 3.56Å; L290-W300 HydrophobicContact CD2-CZ2 3.42Å; L290-W300 VanDerWaalsContact CD2-CZ2 3.42Å; L290-W300 HydrophobicContact CD2-CZ3 3.66Å; L290-W300 HydrophobicContact CG-CZ2 4.34Å; L290-W300 PolarHBondContact O-NE1 2.88Å |
| 291 | E | 96.3 | Very high | 93.3 | Very high | 115 Ų | 115 | 62.6 Ų | 62.6 | 54% | 0.537 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 4.2 | -179.7 | -63.2 | -63.4 | 137.7 | 0 | 0 | 113.4 | Y287 I289 | Y287-E291 HydrophobicContact CD1-CG 4.32Å; Y287-E291 HydrophobicContact CD2-CG 3.78Å; Y287-E291 HydrophobicContact CE1-CG 3.98Å; Y287-E291 HydrophobicContact CE2-CG 3.38Å; Y287-E291 HydrophobicContact CG-CG 4.23Å; Y287-E291 VanDerWaalsContact CZ-CG 3.5Å; Y287-E291 WeakPolarHBondContact O-CB 3.14Å; Y287-E291 WeakPolarHBondContact O-CG 3.13Å; Y287-E291 PolarHBondContact O-N 3.31Å; I289-E291 VanDerWaalsContact C-N 3.33Å; I289-E291 PolarHBondContact O-N 2.77Å |
| 292 | H | 97.7 | Very high | 93.7 | Very high | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.019 | 33% | 0.33 | C | S | . | . | trans | -59.3 | 137.7 | 178.9 | -166.5 | -90.9 | 0 | 0 | 0 | 110.2 | S265 I266 K269 E288 I289 W294 F295 | S265-H292 PolarHBondContact OG-NE2 3.38Å; I266-H292 HydrophobicContact CD1-CB 3.77Å; I266-H292 VanDerWaalsContact CD1-CG 3.47Å; I266-H292 PolarHBondContact N-CE1 3.31Å; K269-H292 PolarHBondContact NZ-CD2 3.21Å; K269-H292 VanDerWaalsContact NZ-CD2 3.32Å; K269-H292 PolarHBondContact NZ-NE2 2.88Å; K269-H292 VanDerWaalsContact NZ-NE2 3.13Å; E288-H292 PolarHBondContact O-N 3.49Å; I289-H292 WeakPolarHBondContact O-CB 3.42Å; I289-H292 PolarHBondContact O-N 2.73Å; H292-W294 WeakPolarHBondContact ND1-CB 3.17Å; H292-W294 PolarHBondContact ND1-N 3.25Å; H292-W294 PolarHBondContact O-N 3.37Å; H292-F295 HydrophobicContact CB-CD2 4.21Å; H292-F295 PolarHBondContact O-N 2.95Å | ||
| 293 | P | 98 | Very high | 94.3 | Very high | 67 Ų | 67 | 60.6 Ų | 60.6 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -55.2 | -22.4 | -178.9 | -30.2 | 36.2 | 0 | 0 | 0 | 115.2 | F295 S296 | P293-F295 PolarHBondContact O-N 3.38Å; P293-S296 WeakPolarHBondContact O-CB 3.36Å; P293-S296 PolarHBondContact O-N 2.98Å; P293-S296 PolarHBondContact O-OG 3.17Å; P293-S296 VanDerWaalsContact O-OG 3.13Å |
| 294 | W | 98 | Very high | 95.5 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 1% | 0.011 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -67.4 | -23 | 174.3 | -167 | 57.4 | 0 | 0 | 0 | 113.6 | S135 T138 R139 A142 I223 N262 A263 I266 H292 | S135-W294 PolarHBondContact OG-NE1 2.98Å; T138-W294 HydrophobicContact CG2-CH2 3.65Å; T138-W294 HydrophobicContact CG2-CZ2 3.95Å; R139-W294 HydrophobicContact CB-CH2 3.95Å; R139-W294 HydrophobicContact CB-CZ2 3.84Å; R139-W294 HydrophobicContact CB-CZ3 4.36Å; R139-W294 WeakPolarHBondContact CD-O 3.47Å; R139-W294 HydrophobicContact CG-CD2 4.38Å; R139-W294 HydrophobicContact CG-CE3 4.33Å; R139-W294 HydrophobicContact CG-CH2 4.44Å; R139-W294 HydrophobicContact CG-CZ2 4.44Å; R139-W294 HydrophobicContact CG-CZ3 4.38Å; R139-W294 PolarHBondContact NE-O 2.88Å; A142-W294 HydrophobicContact CB-CH2 4.11Å; A142-W294 HydrophobicContact CB-CZ3 3.88Å; I223-W294 HydrophobicContact CD1-CZ3 4.04Å; I223-W294 HydrophobicContact CG1-CZ3 4.46Å; I223-W294 HydrophobicContact CG2-CH2 3.69Å; I223-W294 HydrophobicContact CG2-CZ2 4.39Å; I223-W294 HydrophobicContact CG2-CZ3 4.05Å; N262-W294 HydrophobicContact CB-CB 3.89Å; N262-W294 HydrophobicContact CB-CG 4.25Å; A263-W294 VanDerWaalsContact CA-CD1 3.47Å; A263-W294 HydrophobicContact CB-CG 4.48Å; A263-W294 HydrophobicContact CB-CZ2 4.26Å; A263-W294 VanDerWaalsContact CB-NE1 3.31Å; I266-W294 HydrophobicContact CB-CB 4.36Å; I266-W294 HydrophobicContact CG2-CB 4.08Å; I266-W294 HydrophobicContact CG2-CD2 3.77Å; I266-W294 HydrophobicContact CG2-CE3 3.59Å; I266-W294 HydrophobicContact CG2-CG 4.01Å; I266-W294 HydrophobicContact CG2-CZ3 4.22Å; H292-W294 WeakPolarHBondContact ND1-CB 3.17Å; H292-W294 PolarHBondContact ND1-N 3.25Å; H292-W294 PolarHBondContact O-N 3.37Å |
| 295 | F | 98.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -103.4 | 17.5 | 175.9 | -62.9 | -66.2 | 0 | 0 | 0 | 112.5 | R139 A142 I146 I266 I289 H292 P293 D297 I298 W300 | R139-F295 HydrophobicContact CG-CD1 3.62Å; R139-F295 HydrophobicContact CG-CE1 3.82Å; A142-F295 HydrophobicContact CB-CE1 4.2Å; A142-F295 HydrophobicContact CB-CZ 4.24Å; I146-F295 HydrophobicContact CD1-CE1 4.02Å; I146-F295 HydrophobicContact CD1-CE2 3.54Å; I146-F295 HydrophobicContact CD1-CZ 3.19Å; I266-F295 HydrophobicContact CD1-CE2 4.37Å; I266-F295 HydrophobicContact CG1-CE2 4.28Å; I289-F295 WeakPolarHBondContact O-CD2 3.49Å; H292-F295 HydrophobicContact CB-CD2 4.21Å; H292-F295 PolarHBondContact O-N 2.95Å; P293-F295 PolarHBondContact O-N 3.38Å; F295-D297 PolarHBondContact O-N 3.05Å; F295-D297 VanDerWaalsContact O-N 3.1Å; F295-I298 HydrophobicContact CB-CB 4.33Å; F295-I298 HydrophobicContact CB-CG1 4.29Å; F295-I298 HydrophobicContact CD1-CG1 4.05Å; F295-I298 WeakPolarHBondContact O-CB 3.48Å; F295-I298 PolarHBondContact O-N 3.04Å; F295-W300 HydrophobicContact CB-CZ2 3.83Å; F295-W300 HydrophobicContact CD1-CH2 4.13Å; F295-W300 HydrophobicContact CD1-CZ2 4.21Å; F295-W300 HydrophobicContact CD2-CH2 4.37Å; F295-W300 HydrophobicContact CD2-CZ2 4.14Å; F295-W300 HydrophobicContact CE1-CH2 4.4Å; F295-W300 HydrophobicContact CG-CH2 4.12Å; F295-W300 AromaticContact CG-CZ2 3.81Å; F295-W300 HydrophobicContact CG-CZ2 3.81Å |
| 296 | S | 96.8 | Very high | 97.1 | Very high | 104 Ų | 104 | 56 Ų | 56 | 73% | 0.727 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.7 | -172.3 | 61.8 | 0 | 0 | 0 | 0 | 114.7 | P293 | P293-S296 WeakPolarHBondContact O-CB 3.36Å; P293-S296 PolarHBondContact O-N 2.98Å; P293-S296 PolarHBondContact O-OG 3.17Å; P293-S296 VanDerWaalsContact O-OG 3.13Å |
| 297 | D | 95.2 | Very high | 97.3 | Very high | 98 Ų | 98 | 60 Ų | 60 | 52% | 0.524 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 3.9 | 178.2 | 64.8 | -25.2 | 0 | 0 | 0 | 113.4 | R139 F295 | R139-D297 VanDerWaalsContact CD-OD1 3.3Å; R139-D297 WeakPolarHBondContact CD-OD1 3.36Å; R139-D297 IonicContact CZ-OD1 2.77Å; R139-D297 IonicContact CZ-OD2 3.7Å; R139-D297 IonicContact NE-OD1 2.64Å; R139-D297 IonicContact NH1-OD1 3.55Å; R139-D297 PolarHBondContact NH1-OD1 3.22Å; R139-D297 IonicContact NH1-OD2 2.77Å; R139-D297 PolarHBondContact NH1-OD2 2.65Å; F295-D297 PolarHBondContact O-N 3.05Å; F295-D297 VanDerWaalsContact O-N 3.1Å |
| 298 | I | 97.6 | Very high | 97.4 | Very high | 26 Ų | 26 | 54.9 Ų | 54.9 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | trans | -91.2 | 117.8 | 180 | -62.6 | -57.4 | 0 | 0 | 0 | 111 | R139 F295 W300 V303 L308 | R139-I298 HydrophobicContact CG-CD1 4.18Å; R139-I298 HydrophobicContact CG-CG1 4.03Å; F295-I298 HydrophobicContact CB-CB 4.33Å; F295-I298 HydrophobicContact CB-CG1 4.29Å; F295-I298 HydrophobicContact CD1-CG1 4.05Å; F295-I298 WeakPolarHBondContact O-CB 3.48Å; F295-I298 PolarHBondContact O-N 3.04Å; I298-W300 HydrophobicContact CG2-CD2 3.99Å; I298-W300 HydrophobicContact CG2-CE3 4.18Å; I298-W300 HydrophobicContact CG2-CG 4.42Å; I298-W300 HydrophobicContact CG2-CZ2 4.39Å; I298-W300 HydrophobicContact CG2-CZ3 4.5Å; I298-W300 PolarHBondContact O-N 3.22Å; I298-V303 HydrophobicContact CG2-CG2 3.5Å; I298-V303 VanDerWaalsContact CG2-CG2 3.5Å; I298-L308 HydrophobicContact CD1-CD1 4.39Å | ||
| 299 | C | 97.7 | Very high | 97.5 | Very high | 52 Ų | 52 | 59.2 Ų | 59.2 | 35% | 0.351 | 30% | 0.303 | S | S | . | . | trans | -85.6 | 97.9 | 164.8 | -179.6 | 0 | 0 | 0 | 0 | 110 | S301 D302 V303 | C299-S301 PolarHBondContact O-N 3.4Å; C299-S301 VanDerWaalsContact O-N 3.13Å; C299-S301 PolarHBondContact SG-OG 2.98Å; C299-D302 HydrophobicContact CB-CB 4.04Å; C299-D302 WeakPolarHBondContact O-CA 3.49Å; C299-D302 WeakPolarHBondContact O-CB 3.36Å; C299-D302 PolarHBondContact O-N 2.91Å; C299-D302 VanDerWaalsContact SG-CG 3.5Å; C299-D302 PolarHBondContact SG-OD2 2.99Å; C299-V303 PolarHBondContact O-N 2.82Å | ||
| 300 | W | 98 | Very high | 97.5 | Very high | 43 Ų | 43 | 59.9 Ų | 59.9 | 16% | 0.163 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.9 | -32.7 | -175.5 | -65.6 | 104.5 | 0 | 0 | 0 | 114.5 | I146 L147 L290 F295 I298 D302 F304 | I146-W300 HydrophobicContact CB-CH2 4.32Å; I146-W300 HydrophobicContact CB-CZ3 4.23Å; I146-W300 HydrophobicContact CD1-CH2 4.2Å; I146-W300 HydrophobicContact CG2-CH2 3.93Å; I146-W300 HydrophobicContact CG2-CZ3 3.92Å; L147-W300 HydrophobicContact CD1-CE3 4.2Å; L147-W300 HydrophobicContact CD2-CE3 3.78Å; L147-W300 HydrophobicContact CD2-CZ3 4.32Å; L147-W300 HydrophobicContact CG-CE3 3.82Å; L147-W300 HydrophobicContact CG-CZ3 4.12Å; L290-W300 HydrophobicContact CB-CZ2 4.13Å; L290-W300 HydrophobicContact CD2-CD2 3.51Å; L290-W300 HydrophobicContact CD2-CE3 3.65Å; L290-W300 HydrophobicContact CD2-CG 4.24Å; L290-W300 HydrophobicContact CD2-CH2 3.56Å; L290-W300 HydrophobicContact CD2-CZ2 3.42Å; L290-W300 VanDerWaalsContact CD2-CZ2 3.42Å; L290-W300 HydrophobicContact CD2-CZ3 3.66Å; L290-W300 HydrophobicContact CG-CZ2 4.34Å; L290-W300 PolarHBondContact O-NE1 2.88Å; F295-W300 HydrophobicContact CB-CZ2 3.83Å; F295-W300 HydrophobicContact CD1-CH2 4.13Å; F295-W300 HydrophobicContact CD1-CZ2 4.21Å; F295-W300 HydrophobicContact CD2-CH2 4.37Å; F295-W300 HydrophobicContact CD2-CZ2 4.14Å; F295-W300 HydrophobicContact CE1-CH2 4.4Å; F295-W300 HydrophobicContact CG-CH2 4.12Å; F295-W300 AromaticContact CG-CZ2 3.81Å; F295-W300 HydrophobicContact CG-CZ2 3.81Å; I298-W300 HydrophobicContact CG2-CD2 3.99Å; I298-W300 HydrophobicContact CG2-CE3 4.18Å; I298-W300 HydrophobicContact CG2-CG 4.42Å; I298-W300 HydrophobicContact CG2-CZ2 4.39Å; I298-W300 HydrophobicContact CG2-CZ3 4.5Å; I298-W300 PolarHBondContact O-N 3.22Å; W300-D302 VanDerWaalsContact C-N 3.33Å; W300-F304 PolarHBondContact O-N 3.3Å |
| 301 | S | 97.9 | Very high | 97.5 | Very high | 64 Ų | 64 | 61.6 Ų | 61.6 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.6 | -33.1 | 175.5 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | C299 Q305 | C299-S301 PolarHBondContact O-N 3.4Å; C299-S301 VanDerWaalsContact O-N 3.13Å; C299-S301 PolarHBondContact SG-OG 2.98Å; S301-Q305 WeakPolarHBondContact O-CB 3.41Å; S301-Q305 VanDerWaalsContact O-CG 3.26Å; S301-Q305 WeakPolarHBondContact O-CG 3.48Å; S301-Q305 PolarHBondContact O-N 2.85Å; S301-Q305 PolarHBondContact O-NE2 2.58Å; S301-Q305 VanDerWaalsContact O-NE2 3.07Å |
| 302 | D | 98.4 | Very high | 97.6 | Very high | 44 Ų | 44 | 57.4 Ų | 57.4 | 24% | 0.235 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -78.7 | -32.1 | 178.3 | -69.2 | -22.4 | 0 | 0 | 0 | 111.6 | C299 W300 R306 K307 L308 | C299-D302 HydrophobicContact CB-CB 4.04Å; C299-D302 WeakPolarHBondContact O-CA 3.49Å; C299-D302 WeakPolarHBondContact O-CB 3.36Å; C299-D302 PolarHBondContact O-N 2.91Å; C299-D302 VanDerWaalsContact SG-CG 3.5Å; C299-D302 PolarHBondContact SG-OD2 2.99Å; W300-D302 VanDerWaalsContact C-N 3.33Å; D302-R306 PolarHBondContact O-N 2.78Å; D302-R306 VanDerWaalsContact O-N 3.11Å; D302-K307 HydrophobicContact CB-CB 4.12Å; D302-K307 HydrophobicContact CB-CD 4.31Å; D302-K307 PolarHBondContact O-N 2.65Å; D302-K307 VanDerWaalsContact OD1-CD 3.29Å; D302-K307 WeakPolarHBondContact OD1-CD 3.43Å; D302-K307 IonicContact OD1-NZ 2.79Å; D302-K307 PolarHBondContact OD1-NZ 3.14Å; D302-L308 HydrophobicContact CB-CD2 4.04Å; D302-L308 HydrophobicContact CB-CG 4.45Å |
| 303 | V | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.7 | -59 | 165.8 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | F97 S143 E144 L147 I298 C299 Q305 R306 L308 | F97-V303 HydrophobicContact CE2-CG1 3.95Å; F97-V303 HydrophobicContact CZ-CG1 3.98Å; F97-V303 VanDerWaalsContact CZ-O 3.26Å; F97-V303 WeakPolarHBondContact CZ-O 3.49Å; S143-V303 WeakPolarHBondContact OG-CG1 3.39Å; E144-V303 HydrophobicContact CG-CG1 3.9Å; L147-V303 HydrophobicContact CD1-CB 3.78Å; L147-V303 HydrophobicContact CD1-CG1 3.63Å; I298-V303 HydrophobicContact CG2-CG2 3.5Å; I298-V303 VanDerWaalsContact CG2-CG2 3.5Å; C299-V303 PolarHBondContact O-N 2.82Å; V303-Q305 PolarHBondContact O-N 3.49Å; V303-Q305 VanDerWaalsContact O-N 3.15Å; V303-R306 WeakPolarHBondContact O-CA 3.5Å; V303-R306 PolarHBondContact O-N 3.44Å; V303-L308 HydrophobicContact CG2-CD1 3.57Å; V303-L308 HydrophobicContact CG2-CG 4.36Å |
| 304 | F | 98.3 | Very high | 97.5 | Very high | 102 Ų | 102 | 59.1 Ų | 59.1 | 45% | 0.447 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.4 | -36.7 | -177.9 | -175.3 | -97.4 | 0 | 0 | 0 | 113.3 | H95 P96 L147 W300 R306 | H95-F304 AromaticContact CD2-CE2 3.74Å; H95-F304 AromaticContact NE2-CD2 3.76Å; H95-F304 AromaticContact NE2-CE2 3.5Å; P96-F304 HydrophobicContact CG-CD2 4.02Å; P96-F304 HydrophobicContact CG-CE2 3.97Å; P96-F304 HydrophobicContact CG-CZ 4.47Å; L147-F304 HydrophobicContact CD1-CB 3.95Å; W300-F304 PolarHBondContact O-N 3.3Å; F304-R306 VanDerWaalsContact C-N 3.26Å; F304-R306 PolarHBondContact O-N 3.48Å |
| 305 | Q | 98 | Very high | 97.2 | Very high | 86 Ų | 86 | 64.7 Ų | 64.7 | 40% | 0.402 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 0.9 | 177.6 | -71.9 | 169.3 | 62.6 | 0 | 0 | 113.9 | S301 V303 K307 | S301-Q305 WeakPolarHBondContact O-CB 3.41Å; S301-Q305 VanDerWaalsContact O-CG 3.26Å; S301-Q305 WeakPolarHBondContact O-CG 3.48Å; S301-Q305 PolarHBondContact O-N 2.85Å; S301-Q305 PolarHBondContact O-NE2 2.58Å; S301-Q305 VanDerWaalsContact O-NE2 3.07Å; V303-Q305 PolarHBondContact O-N 3.49Å; V303-Q305 VanDerWaalsContact O-N 3.15Å; Q305-K307 VanDerWaalsContact C-N 3.31Å; Q305-K307 HydrophobicContact CB-CD 4.27Å; Q305-K307 HydrophobicContact CB-CG 4.07Å; Q305-K307 PolarHBondContact O-N 3.49Å |
| 306 | R | 98.1 | Very high | 97 | Very high | 49 Ų | 49 | 66.2 Ų | 66.2 | 19% | 0.185 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 42.1 | -179.6 | -62.2 | 173.9 | 52.8 | 158.5 | -3.2 | 112.9 | P96 F97 D170 S172 H174 D302 V303 F304 | P96-R306 HydrophobicContact CB-CG 4.37Å; F97-R306 HydrophobicContact CE1-CG 3.84Å; F97-R306 HydrophobicContact CZ-CG 4.18Å; D170-R306 IonicContact OD1-NH2 3.49Å; D170-R306 IonicContact OD2-CZ 3.58Å; D170-R306 IonicContact OD2-NH1 3.02Å; D170-R306 PolarHBondContact OD2-NH1 3.04Å; D170-R306 IonicContact OD2-NH2 3.62Å; D170-R306 PolarHBondContact OD2-NH2 2.88Å; S172-R306 PolarHBondContact OG-NH2 3.21Å; H174-R306 PolarHBondContact CD2-NE 3.01Å; D302-R306 PolarHBondContact O-N 2.78Å; D302-R306 VanDerWaalsContact O-N 3.11Å; V303-R306 WeakPolarHBondContact O-CA 3.5Å; V303-R306 PolarHBondContact O-N 3.44Å; F304-R306 VanDerWaalsContact C-N 3.26Å; F304-R306 PolarHBondContact O-N 3.48Å |
| 307 | K | 97.6 | Very high | 96.7 | Very high | 122 Ų | 122 | 67.7 Ų | 67.7 | 53% | 0.53 | 34% | 0.341 | S | S | . | . | trans | -94 | -23 | 178.4 | -68.4 | 177.1 | -171.3 | 160.7 | 0 | 113.2 | D302 Q305 | D302-K307 HydrophobicContact CB-CB 4.12Å; D302-K307 HydrophobicContact CB-CD 4.31Å; D302-K307 PolarHBondContact O-N 2.65Å; D302-K307 VanDerWaalsContact OD1-CD 3.29Å; D302-K307 WeakPolarHBondContact OD1-CD 3.43Å; D302-K307 IonicContact OD1-NZ 2.79Å; D302-K307 PolarHBondContact OD1-NZ 3.14Å; Q305-K307 VanDerWaalsContact C-N 3.31Å; Q305-K307 HydrophobicContact CB-CD 4.27Å; Q305-K307 HydrophobicContact CB-CG 4.07Å; Q305-K307 PolarHBondContact O-N 3.49Å | ||
| 308 | L | 96.2 | Very high | 96.5 | Very high | 49 Ų | 49 | 65.5 Ų | 65.5 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -67.1 | 137.3 | 175.6 | -59.1 | -167.5 | 0 | 0 | 0 | 109.4 | F140 I298 D302 V303 P310 | F140-L308 HydrophobicContact CD2-CB 4.27Å; F140-L308 HydrophobicContact CE2-CB 3.71Å; I298-L308 HydrophobicContact CD1-CD1 4.39Å; D302-L308 HydrophobicContact CB-CD2 4.04Å; D302-L308 HydrophobicContact CB-CG 4.45Å; V303-L308 HydrophobicContact CG2-CD1 3.57Å; V303-L308 HydrophobicContact CG2-CG 4.36Å; L308-P310 VanDerWaalsContact O-CD 3.29Å; L308-P310 WeakPolarHBondContact O-CD 3.46Å |
| 309 | K | 96.8 | Very high | 96 | Very high | 188 Ų | 188 | 68.2 Ų | 68.2 | 82% | 0.817 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 122.4 | 178.1 | -178 | -174.3 | 174.3 | -168.8 | 0 | 109.2 | ||
| 310 | P | 97.6 | Very high | 95.6 | Very high | 14 Ų | 14 | 66.3 Ų | 66.3 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 141 | 178.7 | -26.5 | 40.4 | 0 | 0 | 0 | 112.4 | F140 S172 G173 L308 I312 I313 | F140-P310 HydrophobicContact CE1-CB 4.18Å; F140-P310 HydrophobicContact CE2-CG 4.47Å; F140-P310 HydrophobicContact CZ-CB 3.87Å; F140-P310 HydrophobicContact CZ-CG 3.82Å; S172-P310 VanDerWaalsContact O-CG 3.25Å; S172-P310 WeakPolarHBondContact O-CG 3.36Å; G173-P310 WeakPolarHBondContact O-CB 3.41Å; L308-P310 VanDerWaalsContact O-CD 3.29Å; L308-P310 WeakPolarHBondContact O-CD 3.46Å; P310-I312 VanDerWaalsContact C-N 3.35Å; P310-I313 HydrophobicContact CB-CD1 4.1Å |
| 311 | P | 97.7 | Very high | 95.4 | Very high | 58 Ų | 58 | 65.7 Ų | 65.7 | 38% | 0.377 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -73.6 | -27.1 | -179.5 | 28.6 | -34.8 | 0 | 0 | 0 | 112.7 | T137 F140 Y141 | T137-P311 HydrophobicContact CG2-CB 4.04Å; T137-P311 HydrophobicContact CG2-CG 3.76Å; T137-P311 WeakPolarHBondContact OG1-CB 3.3Å; F140-P311 HydrophobicContact CB-CG 4.25Å; F140-P311 HydrophobicContact CD1-CG 4.09Å; F140-P311 HydrophobicContact CG-CG 4.14Å; Y141-P311 HydrophobicContact CE2-CG 3.75Å |
| 312 | I | 97.9 | Very high | 95.1 | Very high | 27 Ų | 27 | 63.5 Ų | 63.5 | 14% | 0.138 | 32% | 0.321 | C | S | . | . | trans | -119.2 | 125.3 | 178.7 | -51.7 | 172.4 | 0 | 0 | 0 | 108.1 | L123 Y126 F133 T137 Y141 L169 G173 P310 | L123-I312 HydrophobicContact CD1-CD1 4.08Å; Y126-I312 HydrophobicContact CD1-CG2 3.47Å; Y126-I312 VanDerWaalsContact CD1-CG2 3.47Å; Y126-I312 HydrophobicContact CD2-CG2 4.36Å; Y126-I312 HydrophobicContact CE1-CG2 3.74Å; Y126-I312 HydrophobicContact CG-CD1 4.33Å; Y126-I312 HydrophobicContact CG-CG2 3.81Å; F133-I312 HydrophobicContact CE1-CD1 3.67Å; F133-I312 HydrophobicContact CE2-CD1 4.37Å; F133-I312 HydrophobicContact CZ-CD1 3.58Å; T137-I312 HydrophobicContact CG2-CD1 4.33Å; Y141-I312 HydrophobicContact CE2-CD1 3.8Å; Y141-I312 HydrophobicContact CE2-CG1 4.22Å; Y141-I312 VanDerWaalsContact OH-CB 3.3Å; Y141-I312 WeakPolarHBondContact OH-CB 3.34Å; L169-I312 HydrophobicContact CD1-CB 4.21Å; L169-I312 HydrophobicContact CD1-CG2 4.1Å; G173-I312 WeakPolarHBondContact CA-O 3.32Å; P310-I312 VanDerWaalsContact C-N 3.35Å | ||
| 313 | I | 96.7 | Very high | 94.9 | Very high | 100 Ų | 100 | 64.5 Ų | 64.5 | 51% | 0.513 | 33% | 0.331 | S | S | . | . | trans | -111.5 | 113.4 | 172.5 | -55.7 | -60.9 | 0 | 0 | 0 | 107.8 | S172 P310 N315 | S172-I313 WeakPolarHBondContact O-CD1 3.27Å; P310-I313 HydrophobicContact CB-CD1 4.1Å; I313-N315 PolarHBondContact O-N 2.87Å | ||
| 314 | P | 96.1 | Very high | 94.6 | Very high | 7 Ų | 7 | 64.9 Ų | 64.9 | 5% | 0.045 | 33% | 0.334 | C | S | . | . | trans | -55.5 | 135.5 | 176.6 | -31 | 39.2 | 0 | 0 | 0 | 112.8 | Y126 L169 D170 V316 | Y126-P314 WeakPolarHBondContact OH-CA 3.4Å; Y126-P314 VanDerWaalsContact OH-CB 3.25Å; Y126-P314 WeakPolarHBondContact OH-CB 3.35Å; L169-P314 HydrophobicContact CB-CG 3.87Å; L169-P314 HydrophobicContact CD1-CG 4.35Å; D170-P314 WeakPolarHBondContact O-CG 3.33Å; P314-V316 VanDerWaalsContact C-N 3.26Å; P314-V316 HydrophobicContact CB-CG2 3.7Å; P314-V316 PolarHBondContact O-N 3.4Å | ||
| 315 | N | 93 | Very high | 94.3 | Very high | 120 Ų | 120 | 61.4 Ų | 61.4 | 64% | 0.642 | 32% | 0.318 | S | S | * | . | trans | -80.8 | 73.1 | 176.2 | -175.9 | 21.4 | 0 | 0 | 0 | 111 | I313 Q317 C323 | I313-N315 PolarHBondContact O-N 2.87Å; N315-Q317 PolarHBondContact OD1-NE2 2.89Å; N315-C323 PolarHBondContact O-SG 3.23Å | ||
| 316 | V | 92.2 | Very high | 93.8 | Very high | 35 Ų | 35 | 63.3 Ų | 63.3 | 21% | 0.212 | 33% | 0.326 | C | S | . | . | trans | -104.7 | 127.5 | -177.1 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | C119 P314 S318 D321 | C119-V316 HydrophobicContact CB-CG1 3.99Å; C119-V316 HydrophobicContact CB-CG2 4.34Å; P314-V316 VanDerWaalsContact C-N 3.26Å; P314-V316 HydrophobicContact CB-CG2 3.7Å; P314-V316 PolarHBondContact O-N 3.4Å; V316-S318 WeakPolarHBondContact CG1-O 3.18Å; V316-D321 HydrophobicContact CG1-CB 3.78Å | ||
| 317 | Q | 90.6 | Very high | 93.2 | Very high | 136 Ų | 136 | 68.9 Ų | 68.9 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -85.8 | -25.2 | -175.3 | -59.1 | -59.4 | -45.9 | 0 | 0 | 113.5 | N315 D321 | N315-Q317 PolarHBondContact OD1-NE2 2.89Å; Q317-D321 WeakPolarHBondContact CB-OD2 3.44Å; Q317-D321 PolarHBondContact N-OD2 3.12Å |
| 318 | S | 90.8 | Very high | 92.8 | Very high | 52 Ų | 52 | 66 Ų | 66 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -158.8 | 165.1 | -179.8 | 73.9 | 0 | 0 | 0 | 0 | 112 | V316 G320 D321 | V316-S318 WeakPolarHBondContact CG1-O 3.18Å; S318-G320 PolarHBondContact O-N 2.92Å; S318-G320 VanDerWaalsContact O-N 3.08Å; S318-D321 VanDerWaalsContact O-CB 3.23Å; S318-D321 WeakPolarHBondContact O-CB 3.4Å; S318-D321 PolarHBondContact O-N 2.96Å; S318-D321 PolarHBondContact OG-N 3.45Å |
| 319 | D | 87.9 | Confident | 92.4 | Very high | 82 Ų | 82 | 72.8 Ų | 72.8 | 44% | 0.439 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -22.4 | -178.2 | -52.8 | -29.3 | 0 | 0 | 0 | 114 | Y63 Y117 | Y63-D319 HydrophobicContact CD2-CB 3.76Å; Y63-D319 HydrophobicContact CE2-CB 4.11Å; Y117-D319 WeakPolarHBondContact CD1-O 3.48Å; Y117-D319 WeakPolarHBondContact CE1-O 3.31Å |
| 320 | G | 90 | Very high | 91.9 | Very high | 13 Ų | 13 | 68.7 Ų | 68.7 | 13% | 0.134 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 5.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y63 S318 | Y63-G320 VanDerWaalsContact CE1-CA 3.42Å; S318-G320 PolarHBondContact O-N 2.92Å; S318-G320 VanDerWaalsContact O-N 3.08Å |
| 321 | D | 92.7 | Very high | 91.1 | Very high | 29 Ų | 29 | 71.1 Ų | 71.1 | 16% | 0.155 | 36% | 0.363 | C | S | . | . | trans | -67.8 | 138.1 | -179.4 | -178.5 | 9.3 | 0 | 0 | 0 | 110.4 | Y117 V316 Q317 S318 C323 | Y117-D321 PolarHBondContact OH-O 3.42Å; V316-D321 HydrophobicContact CG1-CB 3.78Å; Q317-D321 WeakPolarHBondContact CB-OD2 3.44Å; Q317-D321 PolarHBondContact N-OD2 3.12Å; S318-D321 VanDerWaalsContact O-CB 3.23Å; S318-D321 WeakPolarHBondContact O-CB 3.4Å; S318-D321 PolarHBondContact O-N 2.96Å; S318-D321 PolarHBondContact OG-N 3.45Å; D321-C323 VanDerWaalsContact CG-SG 3.55Å; D321-C323 WeakPolarHBondContact OD1-CB 3.16Å; D321-C323 PolarHBondContact OD1-N 3.33Å; D321-C323 PolarHBondContact OD1-SG 3.27Å; D321-C323 VanDerWaalsContact OD1-SG 3.37Å; D321-C323 PolarHBondContact OD2-SG 3.3Å | ||
| 322 | T | 93 | Very high | 90.4 | Very high | 19 Ų | 19 | 72.5 Ų | 72.5 | 12% | 0.117 | 37% | 0.367 | C | S | . | . | trans | -121.2 | 12.4 | -175.4 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | R42 I44 V54 C324 Y325 | R42-T322 HydrophobicContact CB-CG2 4.35Å; R42-T322 WeakPolarHBondContact CD-OG1 3.31Å; R42-T322 PolarHBondContact NH1-O 2.94Å; R42-T322 PolarHBondContact NH1-OG1 3.42Å; I44-T322 HydrophobicContact CG2-CG2 4.04Å; V54-T322 HydrophobicContact CB-CG2 4.21Å; V54-T322 HydrophobicContact CG1-CG2 4.49Å; V54-T322 HydrophobicContact CG2-CG2 3.84Å; T322-C324 PolarHBondContact O-N 2.75Å; T322-Y325 PolarHBondContact O-N 3.4Å | ||
| 323 | C | 92.7 | Very high | 89.7 | Confident | 64 Ų | 64 | 73.8 Ų | 73.8 | 43% | 0.432 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.4 | -177.4 | 68.3 | 0 | 0 | 0 | 0 | 113.9 | N315 D321 Y325 | N315-C323 PolarHBondContact O-SG 3.23Å; D321-C323 VanDerWaalsContact CG-SG 3.55Å; D321-C323 WeakPolarHBondContact OD1-CB 3.16Å; D321-C323 PolarHBondContact OD1-N 3.33Å; D321-C323 PolarHBondContact OD1-SG 3.27Å; D321-C323 VanDerWaalsContact OD1-SG 3.37Å; D321-C323 PolarHBondContact OD2-SG 3.3Å; C323-Y325 PolarHBondContact O-N 3.43Å |
| 324 | C | 92.4 | Very high | 88.9 | Confident | 11 Ų | 11 | 73.1 Ų | 73.1 | 7% | 0.074 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -17.8 | 175 | -65.7 | 0 | 0 | 0 | 0 | 112.9 | C119 G120 K125 T322 | C119-C324 WeakPolarHBondContact O-CB 3.38Å; G120-C324 VanDerWaalsContact C-CB 3.49Å; G120-C324 WeakPolarHBondContact O-CB 3.11Å; K125-C324 PolarHBondContact NZ-O 3.34Å; T322-C324 PolarHBondContact O-N 2.75Å |
| 325 | Y | 92 | Very high | 88.5 | Confident | 29 Ų | 29 | 80.2 Ų | 80.2 | 11% | 0.114 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -98.7 | 152.4 | -179.1 | -70.6 | -85.1 | 0 | 0 | 0 | 113.2 | I44 Y117 V118 T322 C323 | I44-Y325 HydrophobicContact CB-CD1 3.74Å; I44-Y325 HydrophobicContact CB-CD2 4.29Å; I44-Y325 HydrophobicContact CB-CE1 4.14Å; I44-Y325 HydrophobicContact CB-CG 3.8Å; I44-Y325 HydrophobicContact CD1-CE1 4.07Å; I44-Y325 HydrophobicContact CD1-CE2 4.3Å; I44-Y325 HydrophobicContact CG2-CD1 4.24Å; I44-Y325 HydrophobicContact CG2-CD2 3.93Å; I44-Y325 HydrophobicContact CG2-CG 3.76Å; Y117-Y325 HydrophobicContact CE2-CD2 4.47Å; Y117-Y325 AromaticContact CE2-CE2 3.7Å; Y117-Y325 HydrophobicContact CE2-CE2 3.7Å; V118-Y325 PolarHBondContact O-OH 3.24Å; T322-Y325 PolarHBondContact O-N 3.4Å; C323-Y325 PolarHBondContact O-N 3.43Å |
| 326 | E | 88.2 | Confident | 88.2 | Confident | 125 Ų | 125 | 75.5 Ų | 75.5 | 58% | 0.584 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 157.9 | 172.5 | -62.9 | -172.1 | 171.2 | 0 | 0 | 112.2 | Y328 | E326-Y328 HydrophobicContact CB-CE2 3.98Å; E326-Y328 WeakPolarHBondContact O-CD2 3.49Å |
| 327 | Q | 86.2 | Confident | 88.2 | Confident | 166 Ų | 166 | 78.6 Ų | 78.6 | 78% | 0.776 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -90 | 118.3 | 176.9 | -170.4 | 167.1 | -1.5 | 0 | 0 | 110.6 | R42 | R42-Q327 VanDerWaalsContact NH2-CB 3.28Š|
| 328 | Y | 89 | Confident | 88.3 | Confident | 62 Ų | 62 | 77.8 Ų | 77.8 | 24% | 0.243 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -102.8 | 151.2 | 173.4 | -63.3 | -87 | 0 | 0 | 0 | 110.7 | T43 I44 T46 E326 | T43-Y328 HydrophobicContact CG2-CD2 4.35Å; T43-Y328 HydrophobicContact CG2-CG 4.16Å; I44-Y328 WeakPolarHBondContact O-CE2 3.49Å; T46-Y328 HydrophobicContact CG2-CD1 3.53Å; T46-Y328 HydrophobicContact CG2-CE1 4.09Å; T46-Y328 HydrophobicContact CG2-CG 3.98Å; E326-Y328 HydrophobicContact CB-CE2 3.98Å; E326-Y328 WeakPolarHBondContact O-CD2 3.49Å |
| 329 | F | 86.5 | Confident | 88.4 | Confident | 192 Ų | 192 | 75.5 Ų | 75.5 | 84% | 0.842 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 133.2 | 168.7 | -70.5 | -77.5 | 0 | 0 | 0 | 109.9 | R51 | R51-F329 PolarHBondContact NH1-O 3.47Š|
| 330 | E | 86.6 | Confident | 88.7 | Confident | 102 Ų | 102 | 73.6 Ų | 73.6 | 48% | 0.477 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -75 | 136 | 174.5 | -61.2 | -59 | 162.2 | 0 | 0 | 110.5 | R42 T43 | R42-E330 WeakPolarHBondContact CA-OE1 3.16Å; T43-E330 WeakPolarHBondContact CB-OE2 3.36Å; T43-E330 PolarHBondContact N-OE1 3.33Å; T43-E330 PolarHBondContact OG1-OE2 2.68Å |
| 331 | Q | 81.1 | Confident | 88.9 | Confident | 65 Ų | 65 | 77.3 Ų | 77.3 | 30% | 0.304 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 139.1 | -179.3 | 176.8 | 160.7 | 25.3 | 0 | 0 | 111 | W333 | Q331-W333 HydrophobicContact CB-CZ2 4.47Å; Q331-W333 PolarHBondContact O-N 2.92Å; Q331-W333 PolarHBondContact O-NE1 3.29Å |
| 332 | D | 83.6 | Confident | 89.1 | Confident | 87 Ų | 87 | 79.9 Ų | 79.9 | 47% | 0.465 | 42% | 0.419 | S | S | . | . | trans | -75.8 | 106.2 | 165 | -167.4 | -18 | 0 | 0 | 0 | 109.9 | S334 E335 | D332-S334 VanDerWaalsContact CG-OG 3.26Å; D332-S334 PolarHBondContact O-N 2.88Å; D332-S334 VanDerWaalsContact OD1-CB 3.22Å; D332-S334 WeakPolarHBondContact OD1-CB 3.38Å; D332-S334 PolarHBondContact OD1-N 2.81Å; D332-S334 PolarHBondContact OD1-OG 3.25Å; D332-S334 PolarHBondContact OD2-OG 3.32Å; D332-E335 HydrophobicContact CB-CG 4.33Å | ||
| 333 | W | 82.1 | Confident | 89.2 | Confident | 54 Ų | 54 | 79.1 Ų | 79.1 | 21% | 0.205 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -74.5 | -14.7 | 179.9 | -60 | 95.2 | 0 | 0 | 0 | 113.1 | R51 I53 V68 F110 Q331 I336 | R51-W333 HydrophobicContact CB-CH2 4.02Å; R51-W333 HydrophobicContact CB-CZ2 4.25Å; R51-W333 HydrophobicContact CG-CH2 4.1Å; R51-W333 HydrophobicContact CG-CZ2 4.37Å; I53-W333 HydrophobicContact CD1-CH2 4.23Å; I53-W333 HydrophobicContact CD1-CZ2 3.46Å; I53-W333 VanDerWaalsContact CD1-CZ2 3.46Å; I53-W333 HydrophobicContact CG1-CZ2 4.44Å; V68-W333 HydrophobicContact CB-CH2 3.8Å; V68-W333 HydrophobicContact CB-CZ3 4.05Å; V68-W333 HydrophobicContact CG1-CE3 4.19Å; V68-W333 HydrophobicContact CG1-CH2 3.77Å; V68-W333 HydrophobicContact CG1-CZ3 3.47Å; V68-W333 VanDerWaalsContact CG1-CZ3 3.47Å; V68-W333 HydrophobicContact CG2-CH2 4.43Å; F110-W333 HydrophobicContact CD1-CE3 4.39Å; F110-W333 HydrophobicContact CD1-CZ3 4.24Å; F110-W333 AromaticContact CE1-CE3 3.63Å; F110-W333 HydrophobicContact CE1-CE3 3.63Å; F110-W333 AromaticContact CE1-CZ3 3.77Å; F110-W333 HydrophobicContact CE1-CZ3 3.77Å; F110-W333 HydrophobicContact CE2-CE3 4.2Å; F110-W333 AromaticContact CZ-CE3 3.53Å; F110-W333 HydrophobicContact CZ-CE3 3.53Å; F110-W333 HydrophobicContact CZ-CZ3 4.16Å; Q331-W333 HydrophobicContact CB-CZ2 4.47Å; Q331-W333 PolarHBondContact O-N 2.92Å; Q331-W333 PolarHBondContact O-NE1 3.29Å; W333-I336 HydrophobicContact CE3-CD1 4.39Å |
| 334 | S | 80.8 | Confident | 89.1 | Confident | 85 Ų | 85 | 80 Ų | 80 | 59% | 0.594 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -71.7 | -32.6 | -178.8 | 75.1 | 0 | 0 | 0 | 0 | 112.1 | K109 D332 I336 | K109-S334 PolarHBondContact NZ-O 3.05Å; D332-S334 VanDerWaalsContact CG-OG 3.26Å; D332-S334 PolarHBondContact O-N 2.88Å; D332-S334 VanDerWaalsContact OD1-CB 3.22Å; D332-S334 WeakPolarHBondContact OD1-CB 3.38Å; D332-S334 PolarHBondContact OD1-N 2.81Å; D332-S334 PolarHBondContact OD1-OG 3.25Å; D332-S334 PolarHBondContact OD2-OG 3.32Å; S334-I336 VanDerWaalsContact C-N 3.31Å; S334-I336 PolarHBondContact O-N 3.04Å |
| 335 | E | 86.2 | Confident | 89.2 | Confident | 156 Ų | 156 | 84.3 Ų | 84.3 | 73% | 0.729 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -74.1 | -17.3 | -178.2 | -61.7 | -168.1 | 158.6 | 0 | 0 | 113.9 | D332 P337 | D332-E335 HydrophobicContact CB-CG 4.33Å; E335-P337 WeakPolarHBondContact O-CD 3.33Å |
| 336 | I | 88.6 | Confident | 89.3 | Confident | 21 Ų | 21 | 86.5 Ų | 86.5 | 11% | 0.108 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -70.1 | 124.5 | 180 | -64.2 | -163 | 0 | 0 | 0 | 109.9 | V70 K109 F110 W333 S334 | V70-I336 HydrophobicContact CG1-CG2 4.05Å; V70-I336 HydrophobicContact CG2-CD1 3.84Å; K109-I336 WeakPolarHBondContact CD-O 3.37Å; K109-I336 WeakPolarHBondContact CE-O 3.2Å; K109-I336 PolarHBondContact NZ-O 2.92Å; F110-I336 HydrophobicContact CE1-CB 4.21Å; F110-I336 HydrophobicContact CE1-CD1 3.71Å; F110-I336 HydrophobicContact CE1-CG1 4.46Å; F110-I336 HydrophobicContact CE1-CG2 3.86Å; F110-I336 HydrophobicContact CZ-CB 3.86Å; F110-I336 HydrophobicContact CZ-CD1 3.99Å; F110-I336 HydrophobicContact CZ-CG1 4.33Å; F110-I336 HydrophobicContact CZ-CG2 3.9Å; W333-I336 HydrophobicContact CE3-CD1 4.39Å; S334-I336 VanDerWaalsContact C-N 3.31Å; S334-I336 PolarHBondContact O-N 3.04Å |
| 337 | P | 90.9 | Very high | 89.6 | Confident | 101 Ų | 101 | 80.6 Ų | 80.6 | 66% | 0.656 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 159 | -177.6 | 27.4 | -34.4 | 0 | 0 | 0 | 112 | E335 | E335-P337 WeakPolarHBondContact O-CD 3.33Š|
| 338 | L | 92.8 | Very high | 89.8 | Confident | 119 Ų | 119 | 80.2 Ų | 80.2 | 62% | 0.623 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 138 | 170.6 | -66.4 | 176.2 | 0 | 0 | 0 | 110.1 | A108 K109 | A108-L338 HydrophobicContact CB-CD2 3.68Å; K109-L338 HydrophobicContact CD-CD2 4.47Å; K109-L338 HydrophobicContact CG-CD2 3.83Å |
| 339 | S | 92.9 | Very high | 89.7 | Confident | 4 Ų | 4 | 85.9 Ų | 85.9 | 3% | 0.028 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 149.8 | 173.5 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | E72 A108 R344 | E72-S339 WeakPolarHBondContact OE2-CA 3.33Å; E72-S339 WeakPolarHBondContact OE2-CB 3.46Å; A108-S339 PolarHBondContact O-N 2.88Å; A108-S339 PolarHBondContact O-OG 2.74Å; S339-R344 PolarHBondContact O-NE 2.91Å; S339-R344 VanDerWaalsContact O-NE 3.12Å; S339-R344 WeakPolarHBondContact OG-CD 3.38Å; S339-R344 WeakPolarHBondContact OG-CG 3.34Å |
| 340 | S | 95.4 | Very high | 89.9 | Confident | 41 Ų | 41 | 77.7 Ų | 77.7 | 29% | 0.287 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 151.9 | -179.9 | 81.2 | 0 | 0 | 0 | 0 | 110.8 | E72 S342 S343 R344 | E72-S340 PolarHBondContact OE2-N 3.33Å; S340-S342 PolarHBondContact O-N 3.41Å; S340-S342 PolarHBondContact OG-OG 3.21Å; S340-S343 PolarHBondContact O-N 3.37Å; S340-S343 VanDerWaalsContact O-N 3.09Å; S340-S343 WeakPolarHBondContact OG-CB 3.3Å; S340-S343 PolarHBondContact OG-N 3.48Å; S340-S343 PolarHBondContact OG-OG 3.05Å; S340-R344 PolarHBondContact O-N 2.89Å |
| 341 | V | 94.1 | Very high | 90 | Very high | 91 Ų | 91 | 76.5 Ų | 76.5 | 55% | 0.552 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -58 | -39.8 | 177.9 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | R344 N345 | V341-R344 PolarHBondContact O-N 3.27Å; V341-N345 WeakPolarHBondContact O-CB 3.48Å; V341-N345 VanDerWaalsContact O-CG 3.25Å; V341-N345 PolarHBondContact O-N 2.92Å; V341-N345 PolarHBondContact O-ND2 3.29Å |
| 342 | S | 95.3 | Very high | 90.5 | Very high | 83 Ų | 83 | 77.1 Ų | 77.1 | 58% | 0.58 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59.2 | -47.1 | 173.6 | 34.9 | 0 | 0 | 0 | 0 | 112.2 | S340 R344 N345 | S340-S342 PolarHBondContact O-N 3.41Å; S340-S342 PolarHBondContact OG-OG 3.21Å; S342-R344 PolarHBondContact O-N 2.96Å; S342-N345 PolarHBondContact O-N 3.08Å |
| 343 | S | 95.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 179.2 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | E72 S340 N345 L346 | E72-S343 PolarHBondContact OE1-OG 3.16Å; E72-S343 VanDerWaalsContact OE2-CB 3.23Å; E72-S343 WeakPolarHBondContact OE2-CB 3.23Å; E72-S343 PolarHBondContact OE2-OG 2.81Å; S340-S343 PolarHBondContact O-N 3.37Å; S340-S343 VanDerWaalsContact O-N 3.09Å; S340-S343 WeakPolarHBondContact OG-CB 3.3Å; S340-S343 PolarHBondContact OG-N 3.48Å; S340-S343 PolarHBondContact OG-OG 3.05Å; S343-N345 PolarHBondContact O-N 2.85Å; S343-L346 WeakPolarHBondContact O-CB 3.32Å; S343-L346 PolarHBondContact O-N 3.35Å |
| 344 | R | 92.1 | Very high | 91.4 | Very high | 82 Ų | 82 | 77.8 Ų | 77.8 | 31% | 0.309 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 178.2 | -69.4 | -175.2 | -80.2 | 151.4 | -7.2 | 113.3 | I71 S339 S340 V341 S342 L346 F347 K348 | I71-R344 HydrophobicContact CD1-CG 4.35Å; S339-R344 PolarHBondContact O-NE 2.91Å; S339-R344 VanDerWaalsContact O-NE 3.12Å; S339-R344 WeakPolarHBondContact OG-CD 3.38Å; S339-R344 WeakPolarHBondContact OG-CG 3.34Å; S340-R344 PolarHBondContact O-N 2.89Å; V341-R344 PolarHBondContact O-N 3.27Å; S342-R344 PolarHBondContact O-N 2.96Å; R344-L346 PolarHBondContact O-N 2.78Å; R344-F347 PolarHBondContact O-N 3.16Å; R344-K348 PolarHBondContact O-N 3.38Å |
| 345 | N | 94.3 | Very high | 92 | Very high | 102 Ų | 102 | 77.4 Ų | 77.4 | 55% | 0.545 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.9 | -26.1 | -179.5 | -77.8 | -22.8 | 0 | 0 | 0 | 112.7 | V341 S342 S343 F347 K348 | V341-N345 WeakPolarHBondContact O-CB 3.48Å; V341-N345 VanDerWaalsContact O-CG 3.25Å; V341-N345 PolarHBondContact O-N 2.92Å; V341-N345 PolarHBondContact O-ND2 3.29Å; S342-N345 PolarHBondContact O-N 3.08Å; S343-N345 PolarHBondContact O-N 2.85Å; N345-F347 PolarHBondContact O-N 3.13Å; N345-K348 PolarHBondContact O-N 2.78Å |
| 346 | L | 94.6 | Very high | 92.4 | Very high | 76 Ų | 76 | 72.1 Ų | 72.1 | 40% | 0.398 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20.9 | 174.6 | -62.9 | 170.8 | 0 | 0 | 0 | 112.9 | V75 V80 K84 S343 R344 | V75-L346 HydrophobicContact CG1-CD1 4.39Å; V75-L346 HydrophobicContact CG2-CD1 3.75Å; V80-L346 HydrophobicContact CG1-CB 4.17Å; V80-L346 HydrophobicContact CG2-CD1 4.1Å; K84-L346 WeakPolarHBondContact CE-O 3.26Å; K84-L346 PolarHBondContact NZ-O 3.43Å; S343-L346 WeakPolarHBondContact O-CB 3.32Å; S343-L346 PolarHBondContact O-N 3.35Å; R344-L346 PolarHBondContact O-N 2.78Å |
| 347 | F | 94.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 75.8 Ų | 75.8 | 0% | 0.004 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 16.8 | -176.1 | -62.3 | -72 | 0 | 0 | 0 | 113.5 | I71 L74 V75 V80 H106 L111 R344 N345 E349 F350 | I71-F347 HydrophobicContact CG1-CD2 4.35Å; I71-F347 HydrophobicContact CG2-CD2 4.04Å; I71-F347 HydrophobicContact CG2-CE2 4.13Å; L74-F347 HydrophobicContact CB-CZ 4.44Å; L74-F347 HydrophobicContact CD1-CZ 4.17Å; V75-F347 HydrophobicContact CG2-CE2 4.35Å; V80-F347 HydrophobicContact CB-CZ 4.01Å; V80-F347 HydrophobicContact CG1-CE1 3.92Å; V80-F347 HydrophobicContact CG1-CE2 4.42Å; V80-F347 HydrophobicContact CG1-CZ 3.74Å; V80-F347 HydrophobicContact CG2-CE2 4.16Å; V80-F347 HydrophobicContact CG2-CZ 3.78Å; H106-F347 PolarHBondContact CD2-O 2.95Å; H106-F347 PolarHBondContact NE2-O 3.3Å; H106-F347 VanDerWaalsContact NE2-O 3.09Å; L111-F347 HydrophobicContact CD1-CD1 3.42Å; L111-F347 VanDerWaalsContact CD1-CD1 3.42Å; L111-F347 HydrophobicContact CD1-CD2 4.03Å; L111-F347 HydrophobicContact CD1-CE1 3.34Å; L111-F347 HydrophobicContact CD1-CE2 3.95Å; L111-F347 HydrophobicContact CD1-CG 3.76Å; L111-F347 HydrophobicContact CD1-CZ 3.6Å; L111-F347 HydrophobicContact CD2-CB 3.57Å; L111-F347 HydrophobicContact CD2-CD1 3.79Å; L111-F347 HydrophobicContact CD2-CD2 4.33Å; L111-F347 HydrophobicContact CD2-CG 3.64Å; L111-F347 HydrophobicContact CG-CD1 4.18Å; L111-F347 HydrophobicContact CG-CD2 4.44Å; L111-F347 HydrophobicContact CG-CG 4.13Å; R344-F347 PolarHBondContact O-N 3.16Å; N345-F347 PolarHBondContact O-N 3.13Å; F347-E349 PolarHBondContact O-N 2.86Å; F347-F350 HydrophobicContact CB-CB 3.95Å; F347-F350 HydrophobicContact CD1-CB 4.37Å; F347-F350 AromaticContact CD1-CD2 3.89Å; F347-F350 HydrophobicContact CD1-CD2 3.89Å; F347-F350 HydrophobicContact CD1-CG 4.31Å; F347-F350 WeakPolarHBondContact O-CB 3.5Å; F347-F350 PolarHBondContact O-N 3.39Å |
| 348 | K | 90.1 | Very high | 92.9 | Very high | 157 Ų | 157 | 73.8 Ų | 73.8 | 68% | 0.683 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -35.1 | -175.4 | -170.1 | 177.4 | 178.5 | -176 | 0 | 113.8 | H106 R344 N345 | H106-K348 PolarHBondContact NE2-O 2.64Å; H106-K348 VanDerWaalsContact NE2-O 3.16Å; R344-K348 PolarHBondContact O-N 3.38Å; N345-K348 PolarHBondContact O-N 2.78Å |
| 349 | E | 87 | Confident | 92.9 | Very high | 181 Ų | 181 | 70.1 Ų | 70.1 | 85% | 0.846 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 19.2 | 179.4 | -56.4 | -174.7 | 165.2 | 0 | 0 | 113.4 | K87 F347 | K87-E349 PolarHBondContact NZ-O 2.84Å; K87-E349 VanDerWaalsContact NZ-O 3.08Å; F347-E349 PolarHBondContact O-N 2.86Å |
| 350 | F | 89.5 | Confident | 92.9 | Very high | 20 Ų | 20 | 76.1 Ų | 76.1 | 9% | 0.088 | 39% | 0.392 | C | S | . | . | trans | -69.3 | 0 | -177.9 | -167.5 | -94.2 | 0 | 0 | 0 | 112.8 | V83 K87 T104 L111 M113 F347 | V83-F350 HydrophobicContact CG1-CE2 3.73Å; V83-F350 HydrophobicContact CG1-CZ 3.78Å; K87-F350 HydrophobicContact CB-CE2 4.07Å; K87-F350 HydrophobicContact CB-CZ 4.21Å; K87-F350 HydrophobicContact CD-CD2 3.94Å; K87-F350 HydrophobicContact CD-CE1 4.39Å; K87-F350 HydrophobicContact CD-CE2 3.72Å; K87-F350 HydrophobicContact CD-CG 4.35Å; K87-F350 HydrophobicContact CD-CZ 3.98Å; K87-F350 WeakPolarHBondContact CD-OXT 3.45Å; K87-F350 WeakPolarHBondContact CE-OXT 3.42Å; K87-F350 HydrophobicContact CG-CE2 4.44Å; K87-F350 HydrophobicContact CG-CZ 4.48Å; K87-F350 PolarHBondContact NZ-OXT 3.29Å; T104-F350 WeakPolarHBondContact CB-OXT 3.22Å; T104-F350 HydrophobicContact CG2-CE1 4.1Å; T104-F350 PolarHBondContact OG1-OXT 3.27Å; L111-F350 HydrophobicContact CB-CD1 4.38Å; L111-F350 HydrophobicContact CB-CE1 4.16Å; L111-F350 HydrophobicContact CD2-CB 3.79Å; L111-F350 HydrophobicContact CD2-CD1 3.42Å; L111-F350 VanDerWaalsContact CD2-CD1 3.42Å; L111-F350 HydrophobicContact CD2-CD2 4.16Å; L111-F350 HydrophobicContact CD2-CE1 4Å; L111-F350 HydrophobicContact CD2-CG 3.5Å; L111-F350 VanDerWaalsContact CD2-CG 3.5Å; L111-F350 HydrophobicContact CG-CD1 4.35Å; L111-F350 HydrophobicContact CG-CE1 4.48Å; M113-F350 HydrophobicContact CG-CE1 3.89Å; M113-F350 HydrophobicContact CG-CZ 3.91Å; M113-F350 HydrophobicContact SD-CZ 4.05Å; F347-F350 HydrophobicContact CB-CB 3.95Å; F347-F350 HydrophobicContact CD1-CB 4.37Å; F347-F350 AromaticContact CD1-CD2 3.89Å; F347-F350 HydrophobicContact CD1-CD2 3.89Å; F347-F350 HydrophobicContact CD1-CG 4.31Å; F347-F350 WeakPolarHBondContact O-CB 3.5Å; F347-F350 PolarHBondContact O-N 3.39Å |
Retrieved 350 of 350 residues in 624.4 ms
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