| 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 | 45.7 | Very low | 38.7 | Very low | 249 Ų | 249 | 145.2 Ų | 145.2 | 100% | 1.227 | 83% | 0.825 | S | S | * | * | 0 | 102.2 | 0 | -67.2 | -158.9 | -127.7 | 0 | 0 | 106.8 | |||||
| 2 | G | 35.9 | Very low | 39.7 | Very low | 76 Ų | 76 | 142 Ų | 142 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | trans | -86 | 150.8 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 3 | N | 42.6 | Very low | 40.3 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -61.1 | 138.9 | 173.5 | -67.8 | -22 | 0 | 0 | 0 | 112.6 | ||||
| 4 | H | 40.7 | Very low | 40.9 | Very low | 171 Ų | 171 | 136 Ų | 136 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -142 | 104.9 | 152 | -78.6 | -77.1 | 0 | 0 | 0 | 106.4 | ||||
| 5 | L | 37 | Very low | 41.3 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | 73.3 | 100.6 | 96.2 | -77.5 | 164.6 | 0 | 0 | 0 | 113.1 | |||||
| 6 | T | 41.4 | Very low | 41.7 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -5.4 | 158.2 | 141.6 | 2.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 7 | E | 34.8 | Very low | 42 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | 91.1 | 126.9 | 158.5 | -75.1 | -176.9 | 159.9 | 0 | 0 | 116.5 | ||||
| 8 | M | 35.2 | Very low | 42.3 | Very low | 158 Ų | 158 | 140.2 Ų | 140.2 | 78% | 0.778 | 80% | 0.802 | S | S | * | * | cis | -143.3 | 122.8 | 23.3 | -60.7 | 180 | 89.4 | 0 | 0 | 110.6 | ||||
| 9 | A | 37.9 | Very low | 43 | Very low | 87 Ų | 87 | 141.2 Ų | 141.2 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 135.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | T11 | A9-T11 PolarHBondContact O-N 3.39Š|
| 10 | P | 36.7 | Very low | 44.7 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 116.1 | 177.8 | 23.6 | -29.3 | 0 | 0 | 0 | 108.5 | A12 | P10-A12 PolarHBondContact O-N 3.46Š|
| 11 | T | 37.6 | Very low | 46.9 | Very low | 116 Ų | 116 | 137 Ų | 137 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 126.1 | 177.1 | 37.8 | 0 | 0 | 0 | 0 | 110.6 | A9 S13 | A9-T11 PolarHBondContact O-N 3.39Å; T11-S13 PolarHBondContact O-N 3.11Å |
| 12 | A | 51.5 | Low | 49.3 | Very low | 107 Ų | 107 | 125.7 Ų | 125.7 | 88% | 0.884 | 71% | 0.713 | S | S | * | * | trans | -61.7 | 101 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P10 | P10-A12 PolarHBondContact O-N 3.46Š| ||
| 13 | S | 46.9 | Very low | 52.2 | Low | 87 Ų | 87 | 124.2 Ų | 124.2 | 61% | 0.608 | 69% | 0.686 | S | S | * | * | trans | -156.4 | 128 | 158.1 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | T11 | T11-S13 PolarHBondContact O-N 3.11Š| ||
| 14 | S | 49.2 | Very low | 54.8 | Low | 113 Ų | 113 | 116.8 Ų | 116.8 | 79% | 0.79 | 65% | 0.646 | S | S | * | * | trans | 64 | 67.3 | 169.8 | 70.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 15 | F | 46.8 | Very low | 57.5 | Low | 198 Ų | 198 | 108.6 Ų | 108.6 | 87% | 0.868 | 61% | 0.608 | S | S | * | * | trans | -128.4 | 113.2 | 150 | -72.9 | -85.5 | 0 | 0 | 0 | 109.2 | ||||
| 16 | L | 47.8 | Very low | 60.5 | Low | 165 Ų | 165 | 102 Ų | 102 | 86% | 0.864 | 57% | 0.574 | S | S | * | * | trans | -56.9 | 125 | 162.7 | -69.4 | 166 | 0 | 0 | 0 | 106.9 | H18 | L16-H18 PolarHBondContact O-N 3.02Š| ||
| 17 | P | 46.8 | Very low | 63.2 | Low | 83 Ų | 83 | 96 Ų | 96 | 54% | 0.539 | 54% | 0.538 | S | S | . | . | trans | -72.3 | 124.3 | -174.6 | 28.8 | -30.9 | 0 | 0 | 0 | 109 | ||||
| 18 | H | 46.7 | Very low | 66.2 | Low | 174 Ų | 174 | 87.5 Ų | 87.5 | 81% | 0.806 | 50% | 0.497 | S | S | * | . | trans | 45.1 | 134.1 | 158.2 | -65.4 | 70.2 | 0 | 0 | 0 | 118.4 | L16 Q20 | L16-H18 PolarHBondContact O-N 3.02Å; H18-Q20 PolarHBondContact O-N 3.27Å | ||
| 19 | F | 56.6 | Low | 69.3 | Low | 159 Ų | 159 | 80.4 Ų | 80.4 | 70% | 0.697 | 46% | 0.463 | S | S | * | . | trans | -60.4 | 59.6 | 175.2 | -82.3 | -94.4 | 0 | 0 | 0 | 114.1 | R68 | F19-R68 HydrophobicContact CE1-CB 4.36Å; F19-R68 VanDerWaalsContact CZ-CZ 3.42Å | ||
| 20 | Q | 76.8 | Confident | 72.1 | Confident | 165 Ų | 165 | 78.3 Ų | 78.3 | 77% | 0.771 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -90.6 | 128.5 | 179.9 | -140 | 170.7 | 17.6 | 0 | 0 | 109.1 | H18 | H18-Q20 PolarHBondContact O-N 3.27Š|
| 21 | A | 90.3 | Very high | 74.9 | Confident | 29 Ų | 29 | 75.9 Ų | 75.9 | 24% | 0.24 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 138.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | T71 Q73 | A21-T71 CarbonylContact C-O 3.53Å; A21-T71 WeakPolarHBondContact CA-O 3.48Å; A21-T71 HydrophobicContact CB-CG2 3.84Å; A21-Q73 HydrophobicContact CB-CB 4.07Å |
| 22 | L | 95.4 | Very high | 77.8 | Confident | 12 Ų | 12 | 70.4 Ų | 70.4 | 6% | 0.063 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 130.5 | 173.4 | -61 | 169 | 0 | 0 | 0 | 108.9 | V24 I70 T71 F72 Q73 D95 Y184 I187 | L22-V24 PolarHBondContact O-N 3.32Å; L22-I70 HydrophobicContact CD1-CD1 4.04Å; L22-I70 HydrophobicContact CD1-CG1 3.81Å; L22-I70 HydrophobicContact CG-CD1 4.17Å; L22-I70 HydrophobicContact CG-CG1 4.3Å; L22-T71 PolarHBondContact N-O 3.44Å; L22-F72 HydrophobicContact CB-CD1 3.87Å; L22-F72 HydrophobicContact CB-CE1 4.15Å; L22-F72 HydrophobicContact CD1-CD1 4.26Å; L22-F72 HydrophobicContact CD1-CE1 3.76Å; L22-F72 CarbonylContact O-C 3.54Å; L22-F72 WeakPolarHBondContact O-CA 3.37Å; L22-Q73 PolarHBondContact O-N 3.45Å; L22-D95 VanDerWaalsContact CA-OD2 3.3Å; L22-D95 WeakPolarHBondContact CA-OD2 3.35Å; L22-D95 HydrophobicContact CB-CB 4.23Å; L22-D95 HydrophobicContact CD2-CB 4.33Å; L22-Y184 HydrophobicContact CD1-CD2 3.63Å; L22-Y184 HydrophobicContact CD1-CE2 3.9Å; L22-I187 HydrophobicContact CD1-CD1 4.28Å; L22-I187 HydrophobicContact CD1-CG2 4.14Å; L22-I187 HydrophobicContact CD2-CG2 4.14Å |
| 23 | H | 96.8 | Very high | 80 | Confident | 45 Ų | 45 | 65.9 Ų | 65.9 | 21% | 0.208 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 115.2 | 178.8 | 179.4 | -143 | 0 | 0 | 0 | 108.9 | W75 T94 D95 G96 | H23-W75 AromaticContact CD2-CD1 3.24Å; H23-W75 AromaticContact CD2-NE1 3.23Å; H23-W75 PolarHBondContact CD2-NE1 3.5Å; H23-W75 AromaticContact NE2-CD1 3.05Å; H23-W75 AromaticContact NE2-CE2 3.96Å; H23-W75 AromaticContact NE2-CG 3.89Å; H23-W75 AromaticContact NE2-NE1 3.08Å; H23-W75 PolarHBondContact NE2-NE1 3.42Å; H23-T94 PolarHBondContact O-OG1 3Å; H23-D95 PolarHBondContact N-OD2 2.94Å; H23-D95 WeakPolarHBondContact O-CA 3.29Å; H23-D95 VanDerWaalsContact O-CB 3.31Å; H23-D95 WeakPolarHBondContact O-CB 3.27Å; H23-D95 PolarHBondContact O-N 3.12Å; H23-G96 PolarHBondContact O-N 3.38Å |
| 24 | V | 97.9 | Very high | 82.4 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 141.9 | -179.5 | 174.1 | 0 | 0 | 0 | 0 | 109.2 | L22 F72 Q73 V74 W75 G96 V98 L183 I187 | L22-V24 PolarHBondContact O-N 3.32Å; V24-F72 HydrophobicContact CG2-CB 4.42Å; V24-F72 HydrophobicContact CG2-CD1 4.13Å; V24-F72 HydrophobicContact CG2-CE1 4.49Å; V24-F72 HydrophobicContact CG2-CG 4.18Å; V24-Q73 PolarHBondContact N-O 2.83Å; V24-V74 HydrophobicContact CB-CG2 4.47Å; V24-V74 CarbonylContact O-C 3.57Å; V24-V74 VanDerWaalsContact O-CA 3.29Å; V24-V74 WeakPolarHBondContact O-CA 3.32Å; V24-W75 PolarHBondContact O-N 3.01Å; V24-G96 WeakPolarHBondContact CA-O 3.33Å; V24-V98 HydrophobicContact CG1-CG2 3.71Å; V24-L183 HydrophobicContact CG1-CD2 3.92Å; V24-L183 HydrophobicContact CG2-CD2 4.14Å; V24-I187 HydrophobicContact CG2-CD1 4.46Å |
| 25 | V | 98.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132.8 | 176.3 | 176.6 | 0 | 0 | 0 | 0 | 109.4 | I27 W75 V77 Y90 T91 G96 L97 V98 | V25-I27 HydrophobicContact CG1-CG2 3.82Å; V25-W75 WeakPolarHBondContact CA-O 3.45Å; V25-W75 HydrophobicContact CG2-CB 4.27Å; V25-V77 HydrophobicContact CG1-CG2 4.17Å; V25-Y90 VanDerWaalsContact CG2-O 3.26Å; V25-Y90 WeakPolarHBondContact CG2-O 3.28Å; V25-T91 HydrophobicContact CB-CG2 4.27Å; V25-T91 HydrophobicContact CG1-CG2 3.86Å; V25-G96 PolarHBondContact N-O 3.01Å; V25-L97 HydrophobicContact CB-CD1 4.28Å; V25-L97 HydrophobicContact CG1-CD1 4.42Å; V25-V98 PolarHBondContact O-N 2.95Å |
| 26 | V | 98.6 | Very high | 87.1 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 117.1 | 173.9 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | K34 V74 W75 V77 V98 V100 | V26-K34 HydrophobicContact CG1-CB 3.83Å; V26-K34 HydrophobicContact CG1-CD 4.16Å; V26-K34 HydrophobicContact CG1-CG 3.88Å; V26-V74 HydrophobicContact CB-CG1 4.33Å; V26-V74 HydrophobicContact CG2-CG1 3.37Å; V26-W75 PolarHBondContact N-O 2.86Å; V26-V77 PolarHBondContact O-N 3.42Å; V26-V77 VanDerWaalsContact O-N 3.1Å; V26-V98 WeakPolarHBondContact CA-O 3.41Å; V26-V98 HydrophobicContact CB-CB 4.44Å; V26-V98 HydrophobicContact CG1-CG1 4.36Å; V26-V98 HydrophobicContact CG2-CB 3.9Å; V26-V98 HydrophobicContact CG2-CG1 4.26Å; V26-V98 HydrophobicContact CG2-CG2 4.35Å; V26-V100 HydrophobicContact CG1-CG2 3.7Å |
| 27 | I | 98.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 176 | 176.9 | 52.9 | 161.7 | 0 | 0 | 0 | 109.9 | V25 K34 V77 W87 T91 L97 V98 F99 V100 I119 | V25-I27 HydrophobicContact CG1-CG2 3.82Å; I27-K34 VanDerWaalsContact C-CD 3.42Å; I27-V77 HydrophobicContact CG2-CB 4Å; I27-V77 HydrophobicContact CG2-CG2 4.27Å; I27-W87 HydrophobicContact CB-CD2 3.96Å; I27-W87 HydrophobicContact CB-CE3 4.22Å; I27-W87 HydrophobicContact CB-CG 4.33Å; I27-W87 HydrophobicContact CB-CZ2 4.34Å; I27-W87 HydrophobicContact CD1-CD2 4.16Å; I27-W87 HydrophobicContact CD1-CE3 3.74Å; I27-W87 HydrophobicContact CD1-CZ3 4.18Å; I27-W87 HydrophobicContact CG2-CB 4.24Å; I27-W87 HydrophobicContact CG2-CD2 3.87Å; I27-W87 HydrophobicContact CG2-CG 3.7Å; I27-T91 HydrophobicContact CD1-CG2 4.34Å; I27-L97 HydrophobicContact CD1-CD1 3.72Å; I27-L97 HydrophobicContact CD1-CD2 4.25Å; I27-L97 HydrophobicContact CD1-CG 4.38Å; I27-L97 HydrophobicContact CG1-CD1 3.69Å; I27-L97 HydrophobicContact CG1-CG 4.37Å; I27-V98 PolarHBondContact N-O 3.22Å; I27-F99 HydrophobicContact CD1-CD2 4.07Å; I27-F99 HydrophobicContact CG1-CD2 4.02Å; I27-F99 CarbonylContact O-C 3.59Å; I27-F99 WeakPolarHBondContact O-CA 3.29Å; I27-V100 PolarHBondContact O-N 3.25Å; I27-I119 HydrophobicContact CD1-CB 4.3Å; I27-I119 HydrophobicContact CD1-CG1 3.86Å; I27-I119 HydrophobicContact CD1-CG2 3.79Å |
| 28 | G | 98.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | 138.4 | 163.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | K34 G79 W87 V100 | G28-K34 WeakPolarHBondContact O-CE 3.42Å; G28-K34 PolarHBondContact O-NZ 2.7Å; G28-G79 VanDerWaalsContact O-CA 3.23Å; G28-G79 WeakPolarHBondContact O-CA 3.43Å; G28-W87 VanDerWaalsContact O-CZ2 3.27Å; G28-W87 WeakPolarHBondContact O-CZ2 3.48Å; G28-V100 WeakPolarHBondContact CA-O 3.48Å | ||
| 29 | L | 98.4 | Very high | 94 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -56.6 | 157.9 | -176.9 | -53.8 | -175.9 | 0 | 0 | 0 | 111.7 | A32 K34 R84 R108 E111 A112 E115 | L29-A32 VanDerWaalsContact O-CB 3.32Å; L29-A32 WeakPolarHBondContact O-CB 3.42Å; L29-A32 PolarHBondContact O-N 2.93Å; L29-K34 PolarHBondContact O-NZ 2.65Å; L29-R84 VanDerWaalsContact CD2-CZ 3.5Å; L29-R108 HydrophobicContact CD1-CB 4.04Å; L29-R108 WeakPolarHBondContact CD1-O 3.4Å; L29-E111 HydrophobicContact CD1-CB 4.12Å; L29-E111 HydrophobicContact CD1-CG 4.09Å; L29-E111 WeakPolarHBondContact CD1-OE2 3.43Å; L29-E111 HydrophobicContact CD2-CG 4.03Å; L29-A112 HydrophobicContact CD1-CB 3.74Å; L29-A112 HydrophobicContact CG-CB 4.02Å; L29-E115 HydrophobicContact CD2-CG 4.22Å |
| 30 | D | 97.2 | Very high | 95.9 | Very high | 42 Ų | 42 | 26 Ų | 26 | 23% | 0.225 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 152.3 | 166.5 | 53.4 | -77.1 | 0 | 0 | 0 | 110.9 | A32 G79 Q80 R84 R108 | D30-A32 PolarHBondContact O-N 3.41Å; D30-G79 PolarHBondContact N-O 2.86Å; D30-Q80 HydrophobicContact CB-CG 4.19Å; D30-R84 IonicContact OD1-NH2 3.84Å; D30-R84 PolarHBondContact OD1-NH2 2.96Å; D30-R108 PolarHBondContact O-NH1 2.98Å; D30-R108 IonicContact OD1-CZ 3.76Å; D30-R108 IonicContact OD1-NH1 3.95Å; D30-R108 IonicContact OD1-NH2 2.86Å; D30-R108 PolarHBondContact OD1-NH2 3.25Å; D30-R108 IonicContact OD2-CZ 2.99Å; D30-R108 IonicContact OD2-NH1 3.69Å; D30-R108 PolarHBondContact OD2-NH1 3.24Å; D30-R108 IonicContact OD2-NH2 3.24Å |
| 31 | S | 96.8 | Very high | 96.6 | Very high | 80 Ų | 80 | 19 Ų | 19 | 56% | 0.559 | 11% | 0.107 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | -3.6 | -179.7 | -54.4 | 0 | 0 | 0 | 0 | 117.5 | G33 K136 | S31-G33 PolarHBondContact O-N 3.15Å; S31-G33 VanDerWaalsContact O-N 3.09Å; S31-K136 VanDerWaalsContact O-CE 3.24Å; S31-K136 WeakPolarHBondContact O-CE 3.5Å; S31-K136 PolarHBondContact O-NZ 3.33Å |
| 32 | A | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -63.3 | -14 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L29 D30 V100 N135 | L29-A32 VanDerWaalsContact O-CB 3.32Å; L29-A32 WeakPolarHBondContact O-CB 3.42Å; L29-A32 PolarHBondContact O-N 2.93Å; D30-A32 PolarHBondContact O-N 3.41Å; A32-V100 HydrophobicContact CB-CB 4.39Å; A32-V100 HydrophobicContact CB-CG1 4.16Å; A32-V100 WeakPolarHBondContact CB-O 3.43Å; A32-V100 WeakPolarHBondContact O-CG1 3.43Å; A32-N135 PolarHBondContact O-ND2 3.28Å |
| 33 | G | 97.6 | Very high | 96.6 | Very high | 12 Ų | 12 | 26.1 Ų | 26.1 | 12% | 0.124 | 13% | 0.132 | C | C | . | . | trans | 92.8 | 20.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | S31 T35 S36 L37 | S31-G33 PolarHBondContact O-N 3.15Å; S31-G33 VanDerWaalsContact O-N 3.09Å; G33-T35 PolarHBondContact O-N 3.21Å; G33-S36 PolarHBondContact O-N 3.19Å; G33-L37 VanDerWaalsContact O-CB 3.23Å; G33-L37 WeakPolarHBondContact O-CB 3.46Å; G33-L37 PolarHBondContact O-N 3.01Å | ||
| 34 | K | 97.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 5% | 0.048 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -50.5 | -55.1 | 179.8 | -63.1 | -178.9 | -62.9 | -67.4 | 0 | 113.9 | V26 I27 G28 L29 L37 L38 D76 V77 V100 | V26-K34 HydrophobicContact CG1-CB 3.83Å; V26-K34 HydrophobicContact CG1-CD 4.16Å; V26-K34 HydrophobicContact CG1-CG 3.88Å; I27-K34 VanDerWaalsContact C-CD 3.42Å; G28-K34 WeakPolarHBondContact O-CE 3.42Å; G28-K34 PolarHBondContact O-NZ 2.7Å; L29-K34 PolarHBondContact O-NZ 2.65Å; K34-L37 PolarHBondContact O-N 2.99Å; K34-L38 PolarHBondContact O-N 3.04Å; K34-D76 VanDerWaalsContact CB-OD1 3.28Å; K34-D76 WeakPolarHBondContact CB-OD1 3.43Å; K34-V77 WeakPolarHBondContact CE-O 3.32Å; K34-V100 HydrophobicContact CG-CB 3.81Å; K34-V100 HydrophobicContact CG-CG1 4.47Å; K34-V100 HydrophobicContact CG-CG2 3.84Å |
| 35 | T | 96.6 | Very high | 96 | Very high | 12 Ų | 12 | 36.5 Ų | 36.5 | 7% | 0.074 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.7 | -42.4 | -177.8 | -46.9 | 0 | 0 | 0 | 0 | 111.9 | G33 L37 L38 Y39 T52 D76 | G33-T35 PolarHBondContact O-N 3.21Å; T35-L37 PolarHBondContact O-N 3.18Å; T35-L38 WeakPolarHBondContact O-CB 3.5Å; T35-L38 PolarHBondContact O-N 3.4Å; T35-Y39 HydrophobicContact CG2-CD2 4.15Å; T35-Y39 HydrophobicContact CG2-CE1 4.34Å; T35-Y39 HydrophobicContact CG2-CE2 3.8Å; T35-Y39 PolarHBondContact O-N 2.98Å; T35-T52 PolarHBondContact OG1-OG1 2.79Å; T35-D76 WeakPolarHBondContact CA-OD2 3.5Å; T35-D76 WeakPolarHBondContact CB-OD2 3.42Å; T35-D76 PolarHBondContact OG1-OD2 3.1Å |
| 36 | S | 97.1 | Very high | 95.7 | Very high | 8 Ų | 8 | 40.5 Ų | 40.5 | 6% | 0.056 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.5 | -38.9 | 174.4 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | G33 Y39 R40 V47 S49 | G33-S36 PolarHBondContact O-N 3.19Å; S36-Y39 PolarHBondContact O-N 3.28Å; S36-R40 VanDerWaalsContact O-CB 3.3Å; S36-R40 WeakPolarHBondContact O-CB 3.44Å; S36-R40 PolarHBondContact O-N 3.39Å; S36-V47 WeakPolarHBondContact CB-O 3.29Å; S36-V47 PolarHBondContact OG-O 3.22Å; S36-S49 PolarHBondContact OG-N 3.34Å; S36-S49 PolarHBondContact OG-OG 2.95Å |
| 37 | L | 96.4 | Very high | 95.3 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.3 | -41.1 | 177.9 | -165.8 | 143.6 | 0 | 0 | 0 | 111.9 | G33 K34 T35 R40 L41 L133 N135 A170 L176 | G33-L37 VanDerWaalsContact O-CB 3.23Å; G33-L37 WeakPolarHBondContact O-CB 3.46Å; G33-L37 PolarHBondContact O-N 3.01Å; K34-L37 PolarHBondContact O-N 2.99Å; T35-L37 PolarHBondContact O-N 3.18Å; L37-R40 PolarHBondContact O-N 3.14Å; L37-L41 HydrophobicContact CD2-CD1 3.77Å; L37-L41 WeakPolarHBondContact O-CG 3.35Å; L37-L41 PolarHBondContact O-N 3.26Å; L37-L133 HydrophobicContact CD1-CD1 3.76Å; L37-L133 HydrophobicContact CD2-CD1 3.53Å; L37-L133 HydrophobicContact CG-CD1 4.29Å; L37-N135 HydrophobicContact CD1-CB 4.45Å; L37-A170 HydrophobicContact CB-CB 4.11Å; L37-L176 HydrophobicContact CD1-CD2 3.3Å; L37-L176 HydrophobicContact CD2-CD2 3.78Å; L37-L176 HydrophobicContact CG-CD1 4.01Å; L37-L176 HydrophobicContact CG-CD2 3.34Å; L37-L176 HydrophobicContact CG-CG 4.32Å |
| 38 | L | 95.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.2 | -47.2 | 172.4 | -173.5 | 77.2 | 0 | 0 | 0 | 111.5 | K34 T35 L41 K42 E58 I60 V74 D76 | K34-L38 PolarHBondContact O-N 3.04Å; T35-L38 WeakPolarHBondContact O-CB 3.5Å; T35-L38 PolarHBondContact O-N 3.4Å; L38-L41 PolarHBondContact O-N 3.11Å; L38-K42 VanDerWaalsContact O-CB 3.29Å; L38-K42 WeakPolarHBondContact O-CB 3Å; L38-K42 PolarHBondContact O-N 2.94Å; L38-E58 HydrophobicContact CD1-CB 4.14Å; L38-E58 HydrophobicContact CD2-CB 3.95Å; L38-E58 HydrophobicContact CD2-CG 3.51Å; L38-E58 HydrophobicContact CG-CB 4.18Å; L38-E58 HydrophobicContact CG-CG 4.08Å; L38-I60 HydrophobicContact CD1-CD1 3.34Å; L38-I60 HydrophobicContact CD1-CG1 4.39Å; L38-I60 HydrophobicContact CG-CD1 4.17Å; L38-V74 HydrophobicContact CD1-CB 3.74Å; L38-V74 HydrophobicContact CD1-CG1 3.49Å; L38-V74 VanDerWaalsContact CD1-CG1 3.49Å; L38-V74 HydrophobicContact CD1-CG2 4.33Å; L38-D76 HydrophobicContact CD2-CB 3.89Å |
| 39 | Y | 95.3 | Very high | 94.3 | Very high | 57 Ų | 57 | 52.7 Ų | 52.7 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.2 | -38.6 | 179.2 | -70.8 | -8.3 | 0 | 0 | 0 | 112.2 | T35 S36 L41 K42 F43 V47 | T35-Y39 HydrophobicContact CG2-CD2 4.15Å; T35-Y39 HydrophobicContact CG2-CE1 4.34Å; T35-Y39 HydrophobicContact CG2-CE2 3.8Å; T35-Y39 PolarHBondContact O-N 2.98Å; S36-Y39 PolarHBondContact O-N 3.28Å; Y39-L41 VanDerWaalsContact C-N 3.31Å; Y39-L41 PolarHBondContact O-N 3.22Å; Y39-K42 PolarHBondContact O-N 3.32Å; Y39-F43 HydrophobicContact CD1-CD2 4.15Å; Y39-F43 AromaticContact CD1-CE2 3.67Å; Y39-F43 HydrophobicContact CD1-CE2 3.67Å; Y39-F43 HydrophobicContact CE1-CE2 4.09Å; Y39-F43 HydrophobicContact CG-CD2 4.15Å; Y39-F43 HydrophobicContact CG-CE2 4.05Å; Y39-F43 PolarHBondContact O-N 3.13Å; Y39-V47 HydrophobicContact CD2-CB 3.81Å; Y39-V47 HydrophobicContact CD2-CG1 3.86Å; Y39-V47 HydrophobicContact CD2-CG2 4.25Å; Y39-V47 HydrophobicContact CE2-CG1 4.33Å |
| 40 | R | 95.6 | Very high | 94 | Very high | 45 Ų | 45 | 58 Ų | 58 | 17% | 0.17 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 172 | 177.7 | 57.6 | 75.6 | 178.7 | 8.6 | 112 | S36 L37 K44 E45 F46 A170 V171 L176 | S36-R40 VanDerWaalsContact O-CB 3.3Å; S36-R40 WeakPolarHBondContact O-CB 3.44Å; S36-R40 PolarHBondContact O-N 3.39Å; L37-R40 PolarHBondContact O-N 3.14Å; R40-K44 PolarHBondContact NH1-O 2.88Å; R40-K44 VanDerWaalsContact O-CA 3.23Å; R40-K44 WeakPolarHBondContact O-CA 3.15Å; R40-K44 PolarHBondContact O-N 3.07Å; R40-K44 VanDerWaalsContact O-N 3.14Å; R40-E45 VanDerWaalsContact CA-O 3.28Å; R40-E45 WeakPolarHBondContact CA-O 3.48Å; R40-E45 VanDerWaalsContact CZ-C 3.45Å; R40-E45 PolarHBondContact N-O 3.47Å; R40-F46 VanDerWaalsContact NH2-N 3.12Å; R40-A170 WeakPolarHBondContact CG-O 3.31Å; R40-A170 PolarHBondContact NE-O 3.38Å; R40-V171 PolarHBondContact NH2-O 3Å; R40-L176 HydrophobicContact CB-CD1 4.02Å; R40-L176 HydrophobicContact CG-CD1 3.54Å |
| 41 | L | 93.2 | Very high | 93.7 | Very high | 19 Ų | 19 | 60.2 Ų | 60.2 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 175.9 | -79 | 162.2 | 0 | 0 | 0 | 112.7 | L37 L38 Y39 K44 I60 L176 L180 | L37-L41 HydrophobicContact CD2-CD1 3.77Å; L37-L41 WeakPolarHBondContact O-CG 3.35Å; L37-L41 PolarHBondContact O-N 3.26Å; L38-L41 PolarHBondContact O-N 3.11Å; Y39-L41 VanDerWaalsContact C-N 3.31Å; Y39-L41 PolarHBondContact O-N 3.22Å; L41-K44 PolarHBondContact O-NZ 3.26Å; L41-K44 VanDerWaalsContact O-NZ 3.15Å; L41-I60 HydrophobicContact CB-CD1 3.77Å; L41-I60 HydrophobicContact CB-CG2 4.24Å; L41-I60 HydrophobicContact CD1-CD1 4.1Å; L41-L176 HydrophobicContact CD2-CB 3.75Å; L41-L176 HydrophobicContact CD2-CD1 4.49Å; L41-L176 HydrophobicContact CG-CB 4.18Å; L41-L176 HydrophobicContact CG-CD1 4.13Å; L41-L180 HydrophobicContact CD1-CD1 3.74Å; L41-L180 HydrophobicContact CD1-CG 4.38Å; L41-L180 HydrophobicContact CD2-CD1 3.62Å; L41-L180 HydrophobicContact CD2-CG 4.41Å; L41-L180 HydrophobicContact CG-CD1 4.29Å |
| 42 | K | 92.9 | Very high | 93.4 | Very high | 84 Ų | 84 | 57.6 Ų | 57.6 | 37% | 0.365 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -77.9 | -51.1 | -172.5 | 178.6 | 60.7 | 172.8 | 178.7 | 0 | 113.3 | L38 Y39 K59 I60 | L38-K42 VanDerWaalsContact O-CB 3.29Å; L38-K42 WeakPolarHBondContact O-CB 3Å; L38-K42 PolarHBondContact O-N 2.94Å; Y39-K42 PolarHBondContact O-N 3.32Å; K42-K59 WeakPolarHBondContact CD-O 3.5Å; K42-K59 PolarHBondContact NZ-O 2.91Å; K42-I60 HydrophobicContact CB-CG1 4.35Å |
| 43 | F | 92.7 | Very high | 93 | Very high | 106 Ų | 106 | 66.9 Ų | 66.9 | 47% | 0.465 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -102.9 | -7.3 | -171.5 | -55.4 | -60.4 | 0 | 0 | 0 | 113 | Y39 E45 | Y39-F43 HydrophobicContact CD1-CD2 4.15Å; Y39-F43 AromaticContact CD1-CE2 3.67Å; Y39-F43 HydrophobicContact CD1-CE2 3.67Å; Y39-F43 HydrophobicContact CE1-CE2 4.09Å; Y39-F43 HydrophobicContact CG-CD2 4.15Å; Y39-F43 HydrophobicContact CG-CE2 4.05Å; Y39-F43 PolarHBondContact O-N 3.13Å; F43-E45 PolarHBondContact O-N 3.35Å |
| 44 | K | 91.4 | Very high | 92.7 | Very high | 132 Ų | 132 | 67.2 Ų | 67.2 | 57% | 0.574 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 61 | 19.1 | -173.6 | -51.6 | -54.8 | -175.4 | -167 | 0 | 113.5 | R40 L41 | R40-K44 PolarHBondContact NH1-O 2.88Å; R40-K44 VanDerWaalsContact O-CA 3.23Å; R40-K44 WeakPolarHBondContact O-CA 3.15Å; R40-K44 PolarHBondContact O-N 3.07Å; R40-K44 VanDerWaalsContact O-N 3.14Å; L41-K44 PolarHBondContact O-NZ 3.26Å; L41-K44 VanDerWaalsContact O-NZ 3.15Å |
| 45 | E | 89.6 | Confident | 92.5 | Very high | 131 Ų | 131 | 71.1 Ų | 71.1 | 61% | 0.612 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -125.9 | 148.1 | 179 | -69.2 | -179 | 173.3 | 0 | 0 | 110.8 | R40 F43 | R40-E45 VanDerWaalsContact CA-O 3.28Å; R40-E45 WeakPolarHBondContact CA-O 3.48Å; R40-E45 VanDerWaalsContact CZ-C 3.45Å; R40-E45 PolarHBondContact N-O 3.47Å; F43-E45 PolarHBondContact O-N 3.35Å |
| 46 | F | 92.4 | Very high | 92.3 | Very high | 85 Ų | 85 | 72.4 Ų | 72.4 | 37% | 0.373 | 36% | 0.358 | S | S | . | . | trans | -84.1 | 126.6 | 172.5 | 170 | -105.9 | 0 | 0 | 0 | 108.5 | R40 Q48 A170 V171 | R40-F46 VanDerWaalsContact NH2-N 3.12Å; F46-Q48 HydrophobicContact CE1-CB 4.18Å; F46-Q48 HydrophobicContact CZ-CB 4.25Å; F46-A170 WeakPolarHBondContact CD2-O 3.47Å; F46-V171 HydrophobicContact CD2-CG2 4.19Å; F46-V171 HydrophobicContact CE2-CG2 3.93Å; F46-V171 HydrophobicContact CZ-CG2 4.21Å | ||
| 47 | V | 90.9 | Very high | 92.2 | Very high | 56 Ų | 56 | 74.2 Ų | 74.2 | 34% | 0.339 | 37% | 0.368 | S | S | . | . | trans | -121.7 | 119.5 | 173.8 | 177.8 | 0 | 0 | 0 | 0 | 106.9 | S36 Y39 S49 | S36-V47 WeakPolarHBondContact CB-O 3.29Å; S36-V47 PolarHBondContact OG-O 3.22Å; Y39-V47 HydrophobicContact CD2-CB 3.81Å; Y39-V47 HydrophobicContact CD2-CG1 3.86Å; Y39-V47 HydrophobicContact CD2-CG2 4.25Å; Y39-V47 HydrophobicContact CE2-CG1 4.33Å; V47-S49 PolarHBondContact O-N 2.89Å; V47-S49 VanDerWaalsContact O-N 3.15Å | ||
| 48 | Q | 88.9 | Confident | 92.2 | Very high | 167 Ų | 167 | 75.9 Ų | 75.9 | 78% | 0.78 | 38% | 0.376 | S | S | * | . | trans | -67.1 | 113.2 | 171.5 | -173.3 | 174.8 | 6.2 | 0 | 0 | 108.5 | F46 | F46-Q48 HydrophobicContact CE1-CB 4.18Å; F46-Q48 HydrophobicContact CZ-CB 4.25Å | ||
| 49 | S | 87.3 | Confident | 92.2 | Very high | 41 Ų | 41 | 81.8 Ų | 81.8 | 29% | 0.287 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -87.5 | 142.1 | -177.3 | 62.5 | 0 | 0 | 0 | 0 | 111.6 | S36 V47 | S36-S49 PolarHBondContact OG-N 3.34Å; S36-S49 PolarHBondContact OG-OG 2.95Å; V47-S49 PolarHBondContact O-N 2.89Å; V47-S49 VanDerWaalsContact O-N 3.15Å |
| 50 | V | 91.1 | Very high | 92.1 | Very high | 121 Ų | 121 | 79.3 Ų | 79.3 | 73% | 0.733 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -80.4 | 160 | 160.5 | -62.6 | 0 | 0 | 0 | 0 | 110.3 | T52 | V50-T52 PolarHBondContact O-N 2.7Š|
| 51 | P | 91.9 | Very high | 91.8 | Very high | 88 Ų | 88 | 84.1 Ų | 84.1 | 57% | 0.571 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -55 | 122.7 | 177.9 | -26.8 | 35.1 | 0 | 0 | 0 | 112.8 | K53 Q80 | P51-K53 PolarHBondContact O-N 3.27Å; P51-Q80 VanDerWaalsContact CB-NE2 3.33Å |
| 52 | T | 90.4 | Very high | 91.5 | Very high | 26 Ų | 26 | 83.5 Ų | 83.5 | 16% | 0.16 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 124.9 | -179.5 | -43.6 | 0 | 0 | 0 | 0 | 111.2 | T35 V50 G54 L83 | T35-T52 PolarHBondContact OG1-OG1 2.79Å; V50-T52 PolarHBondContact O-N 2.7Å; T52-G54 PolarHBondContact O-N 3.06Å; T52-L83 WeakPolarHBondContact O-CD1 3.45Å |
| 53 | K | 89.3 | Confident | 91.2 | Very high | 196 Ų | 196 | 82.8 Ų | 82.8 | 85% | 0.852 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -83.2 | 105.6 | 170.5 | -65.9 | -177.3 | -177.9 | 178.2 | 0 | 108.5 | P51 F55 | P51-K53 PolarHBondContact O-N 3.27Å; K53-F55 PolarHBondContact O-N 3.14Å; K53-F55 VanDerWaalsContact O-N 3.13Å |
| 54 | G | 90.7 | Very high | 90.7 | Very high | 19 Ų | 19 | 79.1 Ų | 79.1 | 20% | 0.196 | 40% | 0.397 | C | S | . | . | S | Bend | trans | 76.3 | -98.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T52 G78 | T52-G54 PolarHBondContact O-N 3.06Å; G54-G78 PolarHBondContact O-N 3.37Å |
| 55 | F | 93.7 | Very high | 89.9 | Confident | 92 Ų | 92 | 78 Ų | 78 | 40% | 0.404 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 162.4 | -174.9 | 71.2 | -79.3 | 0 | 0 | 0 | 112.7 | K53 W75 D76 Y90 | K53-F55 PolarHBondContact O-N 3.14Å; K53-F55 VanDerWaalsContact O-N 3.13Å; F55-W75 AromaticContact CD2-CE3 3.61Å; F55-W75 HydrophobicContact CD2-CE3 3.61Å; F55-W75 AromaticContact CD2-CZ3 3.72Å; F55-W75 HydrophobicContact CD2-CZ3 3.72Å; F55-W75 AromaticContact CE2-CE3 3.82Å; F55-W75 HydrophobicContact CE2-CE3 3.82Å; F55-W75 HydrophobicContact CE2-CH2 4.46Å; F55-W75 AromaticContact CE2-CZ3 3.39Å; F55-W75 HydrophobicContact CE2-CZ3 3.39Å; F55-W75 HydrophobicContact CZ-CZ3 4.16Å; F55-D76 CarbonylContact C-O 3.57Å; F55-D76 WeakPolarHBondContact CA-O 3.3Å; F55-D76 WeakPolarHBondContact CB-O 3.21Å; F55-Y90 HydrophobicContact CB-CE1 4.31Å; F55-Y90 HydrophobicContact CD1-CE1 4.12Å; F55-Y90 AromaticContact CD1-CZ 3.64Å; F55-Y90 WeakPolarHBondContact CD1-OH 3.36Å; F55-Y90 HydrophobicContact CD2-CE1 4.14Å; F55-Y90 HydrophobicContact CE1-CE1 4.49Å; F55-Y90 WeakPolarHBondContact CE1-OH 3.35Å; F55-Y90 AromaticContact CG-CE1 3.92Å; F55-Y90 HydrophobicContact CG-CE1 3.92Å; F55-Y90 AromaticContact CG-CZ 3.8Å |
| 56 | N | 92.9 | Very high | 89.1 | Confident | 40 Ų | 40 | 76.2 Ų | 76.2 | 21% | 0.214 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 155.3 | 167.2 | -174 | 34.5 | 0 | 0 | 0 | 110.1 | E58 W75 D76 | N56-E58 WeakPolarHBondContact ND2-CG 3.39Å; N56-E58 PolarHBondContact ND2-OE1 3.34Å; N56-W75 WeakPolarHBondContact O-CA 3.39Å; N56-D76 HydrophobicContact CB-CB 4.42Å; N56-D76 PolarHBondContact N-O 3.14Å; N56-D76 PolarHBondContact O-N 3.31Å |
| 57 | T | 95.1 | Very high | 88.2 | Confident | 45 Ų | 45 | 75.6 Ų | 75.6 | 28% | 0.276 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 123.3 | 176.2 | -57 | 0 | 0 | 0 | 0 | 111.4 | Q73 V74 W75 | T57-Q73 HydrophobicContact CG2-CG 4.1Å; T57-V74 VanDerWaalsContact CA-O 3.31Å; T57-V74 WeakPolarHBondContact CA-O 3.23Å; T57-W75 HydrophobicContact CG2-CD2 4.35Å; T57-W75 HydrophobicContact CG2-CZ2 4.5Å; T57-W75 VanDerWaalsContact OG1-CE3 3.29Å |
| 58 | E | 95.3 | Very high | 87.4 | Confident | 40 Ų | 40 | 81.7 Ų | 81.7 | 19% | 0.187 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 150.8 | -178.7 | -69.8 | -62.1 | 162.6 | 0 | 0 | 112.3 | L38 N56 V74 | L38-E58 HydrophobicContact CD1-CB 4.14Å; L38-E58 HydrophobicContact CD2-CB 3.95Å; L38-E58 HydrophobicContact CD2-CG 3.51Å; L38-E58 HydrophobicContact CG-CB 4.18Å; L38-E58 HydrophobicContact CG-CG 4.08Å; N56-E58 WeakPolarHBondContact ND2-CG 3.39Å; N56-E58 PolarHBondContact ND2-OE1 3.34Å; E58-V74 PolarHBondContact N-O 2.61Å; E58-V74 PolarHBondContact O-N 2.91Å |
| 59 | K | 94.8 | Very high | 87.1 | Confident | 127 Ų | 127 | 74.6 Ų | 74.6 | 55% | 0.552 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 114.7 | 168.7 | -70.9 | -178.4 | -177.7 | 174.4 | 0 | 110 | K42 T71 F72 | K42-K59 WeakPolarHBondContact CD-O 3.5Å; K42-K59 PolarHBondContact NZ-O 2.91Å; K59-T71 HydrophobicContact CB-CG2 4.28Å; K59-F72 CarbonylContact C-O 3.43Å; K59-F72 WeakPolarHBondContact CA-O 3.31Å |
| 60 | I | 93.2 | Very high | 87.2 | Confident | 5 Ų | 5 | 73.9 Ų | 73.9 | 3% | 0.026 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 129.4 | 177.8 | -66.3 | 173 | 0 | 0 | 0 | 109.2 | L38 L41 K42 V62 T71 F72 V74 L180 | L38-I60 HydrophobicContact CD1-CD1 3.34Å; L38-I60 HydrophobicContact CD1-CG1 4.39Å; L38-I60 HydrophobicContact CG-CD1 4.17Å; L41-I60 HydrophobicContact CB-CD1 3.77Å; L41-I60 HydrophobicContact CB-CG2 4.24Å; L41-I60 HydrophobicContact CD1-CD1 4.1Å; K42-I60 HydrophobicContact CB-CG1 4.35Å; I60-V62 HydrophobicContact CG2-CG2 4.2Å; I60-T71 CarbonylContact O-C 3.59Å; I60-T71 WeakPolarHBondContact O-CA 3.38Å; I60-F72 PolarHBondContact N-O 2.84Å; I60-F72 PolarHBondContact O-N 3.28Å; I60-V74 HydrophobicContact CD1-CG2 4.1Å; I60-V74 HydrophobicContact CG1-CG2 4.49Å; I60-L180 HydrophobicContact CG2-CD1 4.43Å |
| 61 | R | 90.9 | Very high | 87.3 | Confident | 147 Ų | 147 | 70.1 Ų | 70.1 | 56% | 0.555 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 116.8 | 172.8 | -174.2 | 169 | 177.1 | 77.5 | -4.9 | 108.8 | R68 I70 | R61-R68 PolarHBondContact NH1-O 2.92Å; R61-R68 PolarHBondContact NH2-O 3.21Å; R61-I70 CarbonylContact C-O 3.55Å; R61-I70 WeakPolarHBondContact CA-O 3.45Å |
| 62 | V | 86.9 | Confident | 87.5 | Confident | 6 Ų | 6 | 66 Ų | 66 | 4% | 0.036 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 113.9 | 175.5 | -175.4 | 0 | 0 | 0 | 0 | 107.7 | I60 L64 G69 I70 F72 L180 E181 | I60-V62 HydrophobicContact CG2-CG2 4.2Å; V62-L64 HydrophobicContact CG1-CD2 4.47Å; V62-G69 CarbonylContact O-C 3.58Å; V62-G69 VanDerWaalsContact O-CA 3.23Å; V62-G69 WeakPolarHBondContact O-CA 3.16Å; V62-I70 HydrophobicContact CB-CG2 3.81Å; V62-I70 HydrophobicContact CG2-CG2 4.47Å; V62-I70 PolarHBondContact N-O 3.35Å; V62-I70 PolarHBondContact O-N 2.97Å; V62-F72 HydrophobicContact CG2-CD2 3.7Å; V62-F72 HydrophobicContact CG2-CE2 3.65Å; V62-F72 HydrophobicContact CG2-CZ 4.44Å; V62-L180 HydrophobicContact CG1-CB 4.32Å; V62-L180 HydrophobicContact CG2-CB 4.12Å; V62-L180 HydrophobicContact CG2-CD1 3.56Å; V62-E181 HydrophobicContact CG1-CG 4.29Å |
| 63 | P | 86.5 | Confident | 87.8 | Confident | 69 Ų | 69 | 67.9 Ų | 67.9 | 45% | 0.448 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 139.9 | 171.9 | 28.5 | -31 | 0 | 0 | 0 | 108.8 | ||
| 64 | L | 80.8 | Confident | 88.2 | Confident | 29 Ų | 29 | 58.9 Ų | 58.9 | 15% | 0.152 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 132.6 | 176.7 | -67.9 | 174.7 | 0 | 0 | 0 | 106.9 | V62 G66 S67 I70 E181 Y184 | V62-L64 HydrophobicContact CG1-CD2 4.47Å; L64-G66 PolarHBondContact O-N 3.26Å; L64-S67 VanDerWaalsContact CB-OG 3.26Å; L64-S67 WeakPolarHBondContact CB-OG 3.26Å; L64-S67 PolarHBondContact O-N 3.4Å; L64-S67 VanDerWaalsContact O-N 3.15Å; L64-I70 HydrophobicContact CD1-CB 4.08Å; L64-I70 HydrophobicContact CD1-CG2 3.9Å; L64-I70 HydrophobicContact CG-CG2 4.26Å; L64-E181 HydrophobicContact CD2-CG 3.96Å; L64-Y184 HydrophobicContact CD1-CD1 3.67Å; L64-Y184 HydrophobicContact CD1-CE1 3.3Å; L64-Y184 HydrophobicContact CD1-CG 4.44Å; L64-Y184 HydrophobicContact CD2-CD1 4.1Å; L64-Y184 HydrophobicContact CD2-CE1 4.48Å |
| 65 | A | 75.8 | Confident | 88.6 | Confident | 108 Ų | 108 | 60.9 Ų | 60.9 | 89% | 0.893 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 126.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S67 | A65-S67 VanDerWaalsContact C-N 3.33Å; A65-S67 PolarHBondContact O-N 3.1Å |
| 66 | G | 71.7 | Confident | 88.7 | Confident | 94 Ų | 94 | 56.5 Ų | 56.5 | 97% | 0.969 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 15 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | L64 | L64-G66 PolarHBondContact O-N 3.26Š|
| 67 | S | 73.9 | Confident | 88.9 | Confident | 72 Ų | 72 | 54.6 Ų | 54.6 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 170.2 | 177.6 | 73.7 | 0 | 0 | 0 | 0 | 113.8 | L64 A65 G69 | L64-S67 VanDerWaalsContact CB-OG 3.26Å; L64-S67 WeakPolarHBondContact CB-OG 3.26Å; L64-S67 PolarHBondContact O-N 3.4Å; L64-S67 VanDerWaalsContact O-N 3.15Å; A65-S67 VanDerWaalsContact C-N 3.33Å; A65-S67 PolarHBondContact O-N 3.1Å; S67-G69 PolarHBondContact O-N 2.85Å |
| 68 | R | 74.6 | Confident | 89 | Confident | 184 Ų | 184 | 52.4 Ų | 52.4 | 69% | 0.694 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 20.2 | -177.5 | -74.3 | -170.2 | -78.6 | -172.6 | -1.7 | 114.6 | F19 R61 | F19-R68 HydrophobicContact CE1-CB 4.36Å; F19-R68 VanDerWaalsContact CZ-CZ 3.42Å; R61-R68 PolarHBondContact NH1-O 2.92Å; R61-R68 PolarHBondContact NH2-O 3.21Å |
| 69 | G | 82.1 | Confident | 89.1 | Confident | 17 Ų | 17 | 50.7 Ų | 50.7 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 61 | 166.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V62 S67 | V62-G69 CarbonylContact O-C 3.58Å; V62-G69 VanDerWaalsContact O-CA 3.23Å; V62-G69 WeakPolarHBondContact O-CA 3.16Å; S67-G69 PolarHBondContact O-N 2.85Å |
| 70 | I | 89.8 | Confident | 89.2 | Confident | 26 Ų | 26 | 47 Ų | 47 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 145.9 | 176 | -173.2 | 59.4 | 0 | 0 | 0 | 110.2 | L22 R61 V62 L64 F72 Y184 | L22-I70 HydrophobicContact CD1-CD1 4.04Å; L22-I70 HydrophobicContact CD1-CG1 3.81Å; L22-I70 HydrophobicContact CG-CD1 4.17Å; L22-I70 HydrophobicContact CG-CG1 4.3Å; R61-I70 CarbonylContact C-O 3.55Å; R61-I70 WeakPolarHBondContact CA-O 3.45Å; V62-I70 HydrophobicContact CB-CG2 3.81Å; V62-I70 HydrophobicContact CG2-CG2 4.47Å; V62-I70 PolarHBondContact N-O 3.35Å; V62-I70 PolarHBondContact O-N 2.97Å; L64-I70 HydrophobicContact CD1-CB 4.08Å; L64-I70 HydrophobicContact CD1-CG2 3.9Å; L64-I70 HydrophobicContact CG-CG2 4.26Å; I70-F72 HydrophobicContact CG1-CD1 4.33Å; I70-F72 HydrophobicContact CG1-CE1 4.11Å; I70-F72 HydrophobicContact CG2-CE1 4.09Å; I70-F72 HydrophobicContact CG2-CZ 4.27Å; I70-Y184 HydrophobicContact CB-CD2 4.34Å; I70-Y184 HydrophobicContact CB-CE2 4.16Å; I70-Y184 HydrophobicContact CD1-CE2 4.13Å; I70-Y184 HydrophobicContact CG1-CD2 3.95Å; I70-Y184 HydrophobicContact CG1-CE2 3.79Å; I70-Y184 HydrophobicContact CG2-CD2 4.15Å; I70-Y184 HydrophobicContact CG2-CE2 4.44Å; I70-Y184 HydrophobicContact CG2-CG 4.34Å |
| 71 | T | 94 | Very high | 89.3 | Confident | 43 Ų | 43 | 53.9 Ų | 53.9 | 26% | 0.264 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 126.4 | 173.2 | -57.1 | 0 | 0 | 0 | 0 | 109 | A21 L22 K59 I60 | A21-T71 CarbonylContact C-O 3.53Å; A21-T71 WeakPolarHBondContact CA-O 3.48Å; A21-T71 HydrophobicContact CB-CG2 3.84Å; L22-T71 PolarHBondContact N-O 3.44Å; K59-T71 HydrophobicContact CB-CG2 4.28Å; I60-T71 CarbonylContact O-C 3.59Å; I60-T71 WeakPolarHBondContact O-CA 3.38Å |
| 72 | F | 95.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129.1 | 166.6 | -63.8 | -27.7 | 0 | 0 | 0 | 109.5 | L22 V24 K59 I60 V62 I70 V74 L180 | L22-F72 HydrophobicContact CB-CD1 3.87Å; L22-F72 HydrophobicContact CB-CE1 4.15Å; L22-F72 HydrophobicContact CD1-CD1 4.26Å; L22-F72 HydrophobicContact CD1-CE1 3.76Å; L22-F72 CarbonylContact O-C 3.54Å; L22-F72 WeakPolarHBondContact O-CA 3.37Å; V24-F72 HydrophobicContact CG2-CB 4.42Å; V24-F72 HydrophobicContact CG2-CD1 4.13Å; V24-F72 HydrophobicContact CG2-CE1 4.49Å; V24-F72 HydrophobicContact CG2-CG 4.18Å; K59-F72 CarbonylContact C-O 3.43Å; K59-F72 WeakPolarHBondContact CA-O 3.31Å; I60-F72 PolarHBondContact N-O 2.84Å; I60-F72 PolarHBondContact O-N 3.28Å; V62-F72 HydrophobicContact CG2-CD2 3.7Å; V62-F72 HydrophobicContact CG2-CE2 3.65Å; V62-F72 HydrophobicContact CG2-CZ 4.44Å; I70-F72 HydrophobicContact CG1-CD1 4.33Å; I70-F72 HydrophobicContact CG1-CE1 4.11Å; I70-F72 HydrophobicContact CG2-CE1 4.09Å; I70-F72 HydrophobicContact CG2-CZ 4.27Å; F72-V74 HydrophobicContact CB-CG2 3.67Å; F72-L180 HydrophobicContact CD2-CD1 4.07Å; F72-L180 HydrophobicContact CD2-CD2 4.19Å; F72-L180 HydrophobicContact CE2-CB 3.88Å; F72-L180 HydrophobicContact CE2-CD1 4.04Å; F72-L180 HydrophobicContact CE2-CD2 3.86Å; F72-L180 HydrophobicContact CE2-CG 4.13Å |
| 73 | Q | 96.9 | Very high | 90 | Very high | 66 Ų | 66 | 55.7 Ų | 55.7 | 31% | 0.308 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 103.9 | 162.6 | -179.4 | 167.9 | 10.9 | 0 | 0 | 107.1 | A21 L22 V24 T57 | A21-Q73 HydrophobicContact CB-CB 4.07Å; L22-Q73 PolarHBondContact O-N 3.45Å; V24-Q73 PolarHBondContact N-O 2.83Å; T57-Q73 HydrophobicContact CG2-CG 4.1Å |
| 74 | V | 97.5 | Very high | 90.5 | Very high | 6 Ų | 6 | 52.8 Ų | 52.8 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 126.1 | -170 | -173.7 | 0 | 0 | 0 | 0 | 110.2 | V24 V26 L38 T57 E58 I60 F72 | V24-V74 HydrophobicContact CB-CG2 4.47Å; V24-V74 CarbonylContact O-C 3.57Å; V24-V74 VanDerWaalsContact O-CA 3.29Å; V24-V74 WeakPolarHBondContact O-CA 3.32Å; V26-V74 HydrophobicContact CB-CG1 4.33Å; V26-V74 HydrophobicContact CG2-CG1 3.37Å; L38-V74 HydrophobicContact CD1-CB 3.74Å; L38-V74 HydrophobicContact CD1-CG1 3.49Å; L38-V74 VanDerWaalsContact CD1-CG1 3.49Å; L38-V74 HydrophobicContact CD1-CG2 4.33Å; T57-V74 VanDerWaalsContact CA-O 3.31Å; T57-V74 WeakPolarHBondContact CA-O 3.23Å; E58-V74 PolarHBondContact N-O 2.61Å; E58-V74 PolarHBondContact O-N 2.91Å; I60-V74 HydrophobicContact CD1-CG2 4.1Å; I60-V74 HydrophobicContact CG1-CG2 4.49Å; F72-V74 HydrophobicContact CB-CG2 3.67Å |
| 75 | W | 97.6 | Very high | 91.2 | Very high | 61 Ų | 61 | 55.6 Ų | 55.6 | 23% | 0.231 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 108.2 | 170.8 | -63.3 | 73.8 | 0 | 0 | 0 | 108.8 | H23 V24 V25 V26 F55 N56 T57 Y90 | H23-W75 AromaticContact CD2-CD1 3.24Å; H23-W75 AromaticContact CD2-NE1 3.23Å; H23-W75 PolarHBondContact CD2-NE1 3.5Å; H23-W75 AromaticContact NE2-CD1 3.05Å; H23-W75 AromaticContact NE2-CE2 3.96Å; H23-W75 AromaticContact NE2-CG 3.89Å; H23-W75 AromaticContact NE2-NE1 3.08Å; H23-W75 PolarHBondContact NE2-NE1 3.42Å; V24-W75 PolarHBondContact O-N 3.01Å; V25-W75 WeakPolarHBondContact CA-O 3.45Å; V25-W75 HydrophobicContact CG2-CB 4.27Å; V26-W75 PolarHBondContact N-O 2.86Å; F55-W75 AromaticContact CD2-CE3 3.61Å; F55-W75 HydrophobicContact CD2-CE3 3.61Å; F55-W75 AromaticContact CD2-CZ3 3.72Å; F55-W75 HydrophobicContact CD2-CZ3 3.72Å; F55-W75 AromaticContact CE2-CE3 3.82Å; F55-W75 HydrophobicContact CE2-CE3 3.82Å; F55-W75 HydrophobicContact CE2-CH2 4.46Å; F55-W75 AromaticContact CE2-CZ3 3.39Å; F55-W75 HydrophobicContact CE2-CZ3 3.39Å; F55-W75 HydrophobicContact CZ-CZ3 4.16Å; N56-W75 WeakPolarHBondContact O-CA 3.39Å; T57-W75 HydrophobicContact CG2-CD2 4.35Å; T57-W75 HydrophobicContact CG2-CZ2 4.5Å; T57-W75 VanDerWaalsContact OG1-CE3 3.29Å; W75-Y90 HydrophobicContact CD2-CD1 4.24Å; W75-Y90 AromaticContact CE3-CD1 3.59Å; W75-Y90 HydrophobicContact CE3-CD1 3.59Å; W75-Y90 AromaticContact CE3-CE1 3.54Å; W75-Y90 HydrophobicContact CE3-CE1 3.54Å; W75-Y90 HydrophobicContact CZ3-CD1 4.13Å; W75-Y90 AromaticContact CZ3-CE1 3.71Å; W75-Y90 HydrophobicContact CZ3-CE1 3.71Å |
| 76 | D | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 117.6 | 173.4 | 171.4 | 36.1 | 0 | 0 | 0 | 108.9 | K34 T35 L38 F55 N56 | K34-D76 VanDerWaalsContact CB-OD1 3.28Å; K34-D76 WeakPolarHBondContact CB-OD1 3.43Å; T35-D76 WeakPolarHBondContact CA-OD2 3.5Å; T35-D76 WeakPolarHBondContact CB-OD2 3.42Å; T35-D76 PolarHBondContact OG1-OD2 3.1Å; L38-D76 HydrophobicContact CD2-CB 3.89Å; F55-D76 CarbonylContact C-O 3.57Å; F55-D76 WeakPolarHBondContact CA-O 3.3Å; F55-D76 WeakPolarHBondContact CB-O 3.21Å; N56-D76 HydrophobicContact CB-CB 4.42Å; N56-D76 PolarHBondContact N-O 3.14Å; N56-D76 PolarHBondContact O-N 3.31Å |
| 77 | V | 97.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 138.6 | -173.2 | -169.7 | 0 | 0 | 0 | 0 | 110.1 | V25 V26 I27 K34 G79 Y90 | V25-V77 HydrophobicContact CG1-CG2 4.17Å; V26-V77 PolarHBondContact O-N 3.42Å; V26-V77 VanDerWaalsContact O-N 3.1Å; I27-V77 HydrophobicContact CG2-CB 4Å; I27-V77 HydrophobicContact CG2-CG2 4.27Å; K34-V77 WeakPolarHBondContact CE-O 3.32Å; V77-G79 PolarHBondContact O-N 2.9Å; V77-Y90 HydrophobicContact CG1-CD2 3.91Å; V77-Y90 HydrophobicContact CG1-CE2 4.28Å; V77-Y90 HydrophobicContact CG2-CD1 4.37Å; V77-Y90 HydrophobicContact CG2-CD2 3.86Å; V77-Y90 HydrophobicContact CG2-CG 3.76Å |
| 78 | G | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -54.3 | 135.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G54 W87 | G54-G78 PolarHBondContact O-N 3.37Å; G78-W87 PolarHBondContact O-NE1 2.88Å | ||
| 79 | G | 96.8 | Very high | 95.3 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | trans | -95.9 | -7.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | G28 D30 V77 R84 | G28-G79 VanDerWaalsContact O-CA 3.23Å; G28-G79 WeakPolarHBondContact O-CA 3.43Å; D30-G79 PolarHBondContact N-O 2.86Å; V77-G79 PolarHBondContact O-N 2.9Å; G79-R84 PolarHBondContact O-NE 3.44Å | ||
| 80 | Q | 96.9 | Very high | 95.9 | Very high | 48 Ų | 48 | 48.4 Ų | 48.4 | 22% | 0.224 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -58.9 | 141.1 | 178.2 | -65.8 | 172 | 56.2 | 0 | 0 | 109.5 | D30 P51 K82 L83 R84 | D30-Q80 HydrophobicContact CB-CG 4.19Å; P51-Q80 VanDerWaalsContact CB-NE2 3.33Å; Q80-K82 VanDerWaalsContact C-N 3.27Å; Q80-K82 HydrophobicContact CB-CG 4.36Å; Q80-K82 PolarHBondContact O-N 3.41Å; Q80-K82 VanDerWaalsContact O-N 3.13Å; Q80-L83 HydrophobicContact CB-CD1 4.34Å; Q80-L83 HydrophobicContact CB-CG 4.36Å; Q80-L83 WeakPolarHBondContact O-CA 3.47Å; Q80-L83 WeakPolarHBondContact O-CB 3.5Å; Q80-L83 PolarHBondContact O-N 2.89Å; Q80-R84 WeakPolarHBondContact O-CG 3.33Å; Q80-R84 PolarHBondContact O-N 2.86Å |
| 81 | E | 96.3 | Very high | 96.3 | Very high | 150 Ų | 150 | 47.2 Ų | 47.2 | 70% | 0.701 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -46.5 | -48.3 | -176.1 | -170.4 | 179.7 | -177.2 | 0 | 0 | 113.1 | L83 R84 P85 | E81-L83 PolarHBondContact O-N 2.61Å; E81-L83 VanDerWaalsContact O-N 3.1Å; E81-R84 PolarHBondContact O-N 3.38Å; E81-R84 VanDerWaalsContact O-N 3.14Å; E81-P85 WeakPolarHBondContact O-CD 3.09Å |
| 82 | K | 96.4 | Very high | 96.2 | Very high | 164 Ų | 164 | 50.8 Ų | 50.8 | 71% | 0.713 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -59.7 | -21.8 | 177.6 | 71.3 | -174 | -179.6 | -168.7 | 0 | 115.2 | Q80 | Q80-K82 VanDerWaalsContact C-N 3.27Å; Q80-K82 HydrophobicContact CB-CG 4.36Å; Q80-K82 PolarHBondContact O-N 3.41Å; Q80-K82 VanDerWaalsContact O-N 3.13Å |
| 83 | L | 95.9 | Very high | 95.9 | Very high | 27 Ų | 27 | 61.8 Ų | 61.8 | 14% | 0.141 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -97.5 | -18.8 | -179.6 | -61.7 | -179.5 | 0 | 0 | 0 | 112.8 | T52 Q80 E81 P85 L86 | T52-L83 WeakPolarHBondContact O-CD1 3.45Å; Q80-L83 HydrophobicContact CB-CD1 4.34Å; Q80-L83 HydrophobicContact CB-CG 4.36Å; Q80-L83 WeakPolarHBondContact O-CA 3.47Å; Q80-L83 WeakPolarHBondContact O-CB 3.5Å; Q80-L83 PolarHBondContact O-N 2.89Å; E81-L83 PolarHBondContact O-N 2.61Å; E81-L83 VanDerWaalsContact O-N 3.1Å; L83-P85 VanDerWaalsContact C-N 3.3Å; L83-L86 HydrophobicContact CD2-CD1 4.18Å; L83-L86 WeakPolarHBondContact O-CB 3.36Å; L83-L86 WeakPolarHBondContact O-CG 3.19Å; L83-L86 PolarHBondContact O-N 3.45Å |
| 84 | R | 97.1 | Very high | 95.9 | Very high | 9 Ų | 9 | 58.8 Ų | 58.8 | 3% | 0.034 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -57.4 | -30.6 | -178 | -56.1 | -172.9 | -167.5 | 153.9 | 5.4 | 114.8 | L29 D30 G79 Q80 E81 L86 W87 E111 E115 | L29-R84 VanDerWaalsContact CD2-CZ 3.5Å; D30-R84 IonicContact OD1-NH2 3.84Å; D30-R84 PolarHBondContact OD1-NH2 2.96Å; G79-R84 PolarHBondContact O-NE 3.44Å; Q80-R84 WeakPolarHBondContact O-CG 3.33Å; Q80-R84 PolarHBondContact O-N 2.86Å; E81-R84 PolarHBondContact O-N 3.38Å; E81-R84 VanDerWaalsContact O-N 3.14Å; R84-L86 PolarHBondContact O-N 3.4Å; R84-L86 VanDerWaalsContact O-N 3.11Å; R84-W87 HydrophobicContact CB-CD2 4.22Å; R84-W87 HydrophobicContact CB-CZ2 4.31Å; R84-W87 HydrophobicContact CG-CD2 4.48Å; R84-W87 HydrophobicContact CG-CH2 4.12Å; R84-W87 HydrophobicContact CG-CZ2 3.67Å; R84-W87 VanDerWaalsContact O-CB 3.29Å; R84-W87 WeakPolarHBondContact O-CB 3.24Å; R84-W87 VanDerWaalsContact O-CG 3.28Å; R84-W87 PolarHBondContact O-N 3.09Å; R84-E111 IonicContact CZ-OE1 3.69Å; R84-E111 IonicContact NH1-OE1 3.61Å; R84-E111 PolarHBondContact NH1-OE1 2.89Å; R84-E111 IonicContact NH2-OE1 3.81Å; R84-E111 PolarHBondContact NH2-OE1 3.14Å; R84-E111 IonicContact NH2-OE2 3.5Å; R84-E115 IonicContact NH1-OE1 3.44Å |
| 85 | P | 95.7 | Very high | 95.9 | Very high | 88 Ų | 88 | 60.2 Ų | 60.2 | 57% | 0.571 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -54.6 | -29.3 | 171.8 | -28.9 | 37.2 | 0 | 0 | 0 | 113.8 | E81 L83 W87 | E81-P85 WeakPolarHBondContact O-CD 3.09Å; L83-P85 VanDerWaalsContact C-N 3.3Å; P85-W87 VanDerWaalsContact C-N 3.28Å; P85-W87 PolarHBondContact O-N 2.78Å |
| 86 | L | 94.8 | Very high | 96 | Very high | 67 Ų | 67 | 57.3 Ų | 57.3 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -68.7 | -23.8 | 178.6 | -59.9 | 176 | 0 | 0 | 0 | 113.1 | L83 R84 R88 S89 Y90 | L83-L86 HydrophobicContact CD2-CD1 4.18Å; L83-L86 WeakPolarHBondContact O-CB 3.36Å; L83-L86 WeakPolarHBondContact O-CG 3.19Å; L83-L86 PolarHBondContact O-N 3.45Å; R84-L86 PolarHBondContact O-N 3.4Å; R84-L86 VanDerWaalsContact O-N 3.11Å; L86-R88 PolarHBondContact O-N 3.15Å; L86-R88 VanDerWaalsContact O-N 3.16Å; L86-S89 WeakPolarHBondContact O-CB 3.41Å; L86-S89 PolarHBondContact O-N 3.38Å; L86-Y90 HydrophobicContact CB-CD2 4.18Å; L86-Y90 HydrophobicContact CB-CE2 4Å; L86-Y90 VanDerWaalsContact O-CD2 3.25Å; L86-Y90 WeakPolarHBondContact O-CD2 3.25Å; L86-Y90 PolarHBondContact O-N 3.03Å |
| 87 | W | 97.3 | Very high | 96 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56 | -37 | -177.7 | -65.1 | 2.5 | 0 | 0 | 0 | 112.3 | I27 G28 G78 R84 P85 S89 Y90 T91 F99 E115 I119 | I27-W87 HydrophobicContact CB-CD2 3.96Å; I27-W87 HydrophobicContact CB-CE3 4.22Å; I27-W87 HydrophobicContact CB-CG 4.33Å; I27-W87 HydrophobicContact CB-CZ2 4.34Å; I27-W87 HydrophobicContact CD1-CD2 4.16Å; I27-W87 HydrophobicContact CD1-CE3 3.74Å; I27-W87 HydrophobicContact CD1-CZ3 4.18Å; I27-W87 HydrophobicContact CG2-CB 4.24Å; I27-W87 HydrophobicContact CG2-CD2 3.87Å; I27-W87 HydrophobicContact CG2-CG 3.7Å; G28-W87 VanDerWaalsContact O-CZ2 3.27Å; G28-W87 WeakPolarHBondContact O-CZ2 3.48Å; G78-W87 PolarHBondContact O-NE1 2.88Å; R84-W87 HydrophobicContact CB-CD2 4.22Å; R84-W87 HydrophobicContact CB-CZ2 4.31Å; R84-W87 HydrophobicContact CG-CD2 4.48Å; R84-W87 HydrophobicContact CG-CH2 4.12Å; R84-W87 HydrophobicContact CG-CZ2 3.67Å; R84-W87 VanDerWaalsContact O-CB 3.29Å; R84-W87 WeakPolarHBondContact O-CB 3.24Å; R84-W87 VanDerWaalsContact O-CG 3.28Å; R84-W87 PolarHBondContact O-N 3.09Å; P85-W87 VanDerWaalsContact C-N 3.28Å; P85-W87 PolarHBondContact O-N 2.78Å; W87-S89 VanDerWaalsContact C-N 3.26Å; W87-S89 PolarHBondContact O-N 2.7Å; W87-Y90 PolarHBondContact O-N 2.84Å; W87-T91 WeakPolarHBondContact O-CB 3.4Å; W87-T91 VanDerWaalsContact O-CG2 3.27Å; W87-T91 WeakPolarHBondContact O-CG2 3.34Å; W87-T91 PolarHBondContact O-N 3.1Å; W87-T91 PolarHBondContact O-OG1 2.97Å; W87-F99 HydrophobicContact CH2-CE2 4.39Å; W87-F99 HydrophobicContact CZ3-CE2 4.1Å; W87-E115 HydrophobicContact CH2-CB 4.4Å; W87-E115 HydrophobicContact CZ3-CB 3.94Å; W87-E115 HydrophobicContact CZ3-CG 4.38Å; W87-I119 HydrophobicContact CB-CD1 3.99Å |
| 88 | R | 94.9 | Very high | 96.1 | Very high | 147 Ų | 147 | 57.6 Ų | 57.6 | 56% | 0.555 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58 | -40.3 | 175 | -73.7 | -175.1 | 174.5 | 175.2 | -1.3 | 111.9 | L86 T91 R92 I119 | L86-R88 PolarHBondContact O-N 3.15Å; L86-R88 VanDerWaalsContact O-N 3.16Å; R88-T91 PolarHBondContact O-OG1 2.79Å; R88-R92 WeakPolarHBondContact O-CG 3.15Å; R88-I119 HydrophobicContact CG-CD1 4.07Å |
| 89 | S | 94.6 | Very high | 96.2 | Very high | 58 Ų | 58 | 57.6 Ų | 57.6 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.2 | -39.5 | -179 | -72 | 0 | 0 | 0 | 0 | 113.1 | L86 W87 R92 | L86-S89 WeakPolarHBondContact O-CB 3.41Å; L86-S89 PolarHBondContact O-N 3.38Å; W87-S89 VanDerWaalsContact C-N 3.26Å; W87-S89 PolarHBondContact O-N 2.7Å; S89-R92 PolarHBondContact OG-NH2 2.94Å |
| 90 | Y | 95.4 | Very high | 96.3 | Very high | 50 Ų | 50 | 57.4 Ų | 57.4 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -78.2 | -34.2 | -178.4 | -71.2 | -77.1 | 0 | 0 | 0 | 113.2 | V25 F55 W75 V77 L86 W87 R92 | V25-Y90 VanDerWaalsContact CG2-O 3.26Å; V25-Y90 WeakPolarHBondContact CG2-O 3.28Å; F55-Y90 HydrophobicContact CB-CE1 4.31Å; F55-Y90 HydrophobicContact CD1-CE1 4.12Å; F55-Y90 AromaticContact CD1-CZ 3.64Å; F55-Y90 WeakPolarHBondContact CD1-OH 3.36Å; F55-Y90 HydrophobicContact CD2-CE1 4.14Å; F55-Y90 HydrophobicContact CE1-CE1 4.49Å; F55-Y90 WeakPolarHBondContact CE1-OH 3.35Å; F55-Y90 AromaticContact CG-CE1 3.92Å; F55-Y90 HydrophobicContact CG-CE1 3.92Å; F55-Y90 AromaticContact CG-CZ 3.8Å; W75-Y90 HydrophobicContact CD2-CD1 4.24Å; W75-Y90 AromaticContact CE3-CD1 3.59Å; W75-Y90 HydrophobicContact CE3-CD1 3.59Å; W75-Y90 AromaticContact CE3-CE1 3.54Å; W75-Y90 HydrophobicContact CE3-CE1 3.54Å; W75-Y90 HydrophobicContact CZ3-CD1 4.13Å; W75-Y90 AromaticContact CZ3-CE1 3.71Å; W75-Y90 HydrophobicContact CZ3-CE1 3.71Å; V77-Y90 HydrophobicContact CG1-CD2 3.91Å; V77-Y90 HydrophobicContact CG1-CE2 4.28Å; V77-Y90 HydrophobicContact CG2-CD1 4.37Å; V77-Y90 HydrophobicContact CG2-CD2 3.86Å; V77-Y90 HydrophobicContact CG2-CG 3.76Å; L86-Y90 HydrophobicContact CB-CD2 4.18Å; L86-Y90 HydrophobicContact CB-CE2 4Å; L86-Y90 VanDerWaalsContact O-CD2 3.25Å; L86-Y90 WeakPolarHBondContact O-CD2 3.25Å; L86-Y90 PolarHBondContact O-N 3.03Å; W87-Y90 PolarHBondContact O-N 2.84Å; Y90-R92 VanDerWaalsContact C-N 3.28Å; Y90-R92 PolarHBondContact O-N 2.95Å |
| 91 | T | 96.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.4 | -16.7 | -179 | 52.9 | 0 | 0 | 0 | 0 | 114.2 | V25 I27 W87 R88 R93 T94 L97 I119 N125 | V25-T91 HydrophobicContact CB-CG2 4.27Å; V25-T91 HydrophobicContact CG1-CG2 3.86Å; I27-T91 HydrophobicContact CD1-CG2 4.34Å; W87-T91 WeakPolarHBondContact O-CB 3.4Å; W87-T91 VanDerWaalsContact O-CG2 3.27Å; W87-T91 WeakPolarHBondContact O-CG2 3.34Å; W87-T91 PolarHBondContact O-N 3.1Å; W87-T91 PolarHBondContact O-OG1 2.97Å; R88-T91 PolarHBondContact O-OG1 2.79Å; T91-R93 PolarHBondContact O-N 3.45Å; T91-T94 WeakPolarHBondContact O-CB 3.5Å; T91-T94 VanDerWaalsContact O-CG2 3.24Å; T91-T94 WeakPolarHBondContact O-CG2 3.45Å; T91-T94 PolarHBondContact O-N 2.93Å; T91-T94 VanDerWaalsContact O-N 3.15Å; T91-L97 HydrophobicContact CG2-CD1 3.65Å; T91-I119 HydrophobicContact CG2-CD1 4.28Å; T91-I119 HydrophobicContact CG2-CG1 4.05Å; T91-N125 WeakPolarHBondContact CB-ND2 3.44Å; T91-N125 PolarHBondContact O-OD1 2.72Å; T91-N125 PolarHBondContact OG1-ND2 3.15Å |
| 92 | R | 92.4 | Very high | 96.5 | Very high | 118 Ų | 118 | 49 Ų | 49 | 45% | 0.445 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 128.4 | 176.3 | -81.1 | -167.5 | -65.2 | -102.8 | 0.2 | 111.7 | R88 S89 Y90 T94 D124 | R88-R92 WeakPolarHBondContact O-CG 3.15Å; S89-R92 PolarHBondContact OG-NH2 2.94Å; Y90-R92 VanDerWaalsContact C-N 3.28Å; Y90-R92 PolarHBondContact O-N 2.95Å; R92-T94 PolarHBondContact O-N 3.11Å; R92-T94 VanDerWaalsContact O-N 3.12Å; R92-D124 WeakPolarHBondContact CD-OD2 3.33Å; R92-D124 HydrophobicContact CG-CB 3.93Å; R92-D124 WeakPolarHBondContact CG-OD2 3.49Å |
| 93 | R | 91 | Very high | 96.6 | Very high | 232 Ų | 232 | 41.2 Ų | 41.2 | 88% | 0.875 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 27.8 | 176.6 | -55.2 | -179.3 | 179.1 | 176.4 | -0 | 113.4 | T91 | T91-R93 PolarHBondContact O-N 3.45Š|
| 94 | T | 96.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | trans | -70.6 | 146 | 171 | -163.4 | 0 | 0 | 0 | 0 | 110.8 | H23 T91 R92 G96 V128 | H23-T94 PolarHBondContact O-OG1 3Å; T91-T94 WeakPolarHBondContact O-CB 3.5Å; T91-T94 VanDerWaalsContact O-CG2 3.24Å; T91-T94 WeakPolarHBondContact O-CG2 3.45Å; T91-T94 PolarHBondContact O-N 2.93Å; T91-T94 VanDerWaalsContact O-N 3.15Å; R92-T94 PolarHBondContact O-N 3.11Å; R92-T94 VanDerWaalsContact O-N 3.12Å; T94-G96 VanDerWaalsContact C-N 3.34Å; T94-G96 PolarHBondContact OG1-O 3.12Å; T94-G96 VanDerWaalsContact OG1-O 3.06Å; T94-V128 HydrophobicContact CG2-CG1 3.6Å; T94-V128 HydrophobicContact CG2-CG2 4.39Å | ||
| 95 | D | 97.5 | Very high | 96.8 | Very high | 35 Ų | 35 | 43.8 Ų | 43.8 | 19% | 0.187 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -70.7 | -36.4 | 172.7 | -72 | -63.6 | 0 | 0 | 0 | 110.3 | L22 H23 P129 I187 K191 | L22-D95 VanDerWaalsContact CA-OD2 3.3Å; L22-D95 WeakPolarHBondContact CA-OD2 3.35Å; L22-D95 HydrophobicContact CB-CB 4.23Å; L22-D95 HydrophobicContact CD2-CB 4.33Å; H23-D95 PolarHBondContact N-OD2 2.94Å; H23-D95 WeakPolarHBondContact O-CA 3.29Å; H23-D95 VanDerWaalsContact O-CB 3.31Å; H23-D95 WeakPolarHBondContact O-CB 3.27Å; H23-D95 PolarHBondContact O-N 3.12Å; D95-P129 VanDerWaalsContact O-CD 3.27Å; D95-P129 WeakPolarHBondContact O-CD 3.07Å; D95-I187 HydrophobicContact CB-CD1 4.1Å; D95-I187 HydrophobicContact CB-CG1 4.49Å; D95-I187 HydrophobicContact CB-CG2 4.1Å; D95-I187 WeakPolarHBondContact O-CG1 3.39Å; D95-K191 WeakPolarHBondContact OD1-CE 3.46Å; D95-K191 IonicContact OD1-NZ 3.77Å; D95-K191 PolarHBondContact OD1-NZ 3.11Å; D95-K191 IonicContact OD2-NZ 3.63Å |
| 96 | G | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 152.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | H23 V24 V25 T94 | H23-G96 PolarHBondContact O-N 3.38Å; V24-G96 WeakPolarHBondContact CA-O 3.33Å; V25-G96 PolarHBondContact N-O 3.01Å; T94-G96 VanDerWaalsContact C-N 3.34Å; T94-G96 PolarHBondContact OG1-O 3.12Å; T94-G96 VanDerWaalsContact OG1-O 3.06Å |
| 97 | L | 98.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 133.5 | -179.7 | -172.6 | 66.7 | 0 | 0 | 0 | 110.3 | V25 I27 T91 I119 V128 P129 V130 L131 | V25-L97 HydrophobicContact CB-CD1 4.28Å; V25-L97 HydrophobicContact CG1-CD1 4.42Å; I27-L97 HydrophobicContact CD1-CD1 3.72Å; I27-L97 HydrophobicContact CD1-CD2 4.25Å; I27-L97 HydrophobicContact CD1-CG 4.38Å; I27-L97 HydrophobicContact CG1-CD1 3.69Å; I27-L97 HydrophobicContact CG1-CG 4.37Å; T91-L97 HydrophobicContact CG2-CD1 3.65Å; L97-I119 HydrophobicContact CD2-CG2 4.12Å; L97-V128 HydrophobicContact CB-CG1 4.19Å; L97-P129 PolarHBondContact N-O 3.47Å; L97-V130 HydrophobicContact CB-CG2 4.28Å; L97-V130 HydrophobicContact CD2-CG1 4.4Å; L97-V130 HydrophobicContact CD2-CG2 4.11Å; L97-V130 WeakPolarHBondContact O-CA 3.28Å; L97-L131 PolarHBondContact O-N 2.86Å |
| 98 | V | 98.8 | Very high | 97 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 118.9 | 166.8 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | V24 V25 V26 I27 V100 L131 L133 L183 | V24-V98 HydrophobicContact CG1-CG2 3.71Å; V25-V98 PolarHBondContact O-N 2.95Å; V26-V98 WeakPolarHBondContact CA-O 3.41Å; V26-V98 HydrophobicContact CB-CB 4.44Å; V26-V98 HydrophobicContact CG1-CG1 4.36Å; V26-V98 HydrophobicContact CG2-CB 3.9Å; V26-V98 HydrophobicContact CG2-CG1 4.26Å; V26-V98 HydrophobicContact CG2-CG2 4.35Å; I27-V98 PolarHBondContact N-O 3.22Å; V98-V100 HydrophobicContact CG1-CG2 4.02Å; V98-L131 CarbonylContact C-O 3.49Å; V98-L131 WeakPolarHBondContact CA-O 3.31Å; V98-L131 HydrophobicContact CG1-CD2 4.45Å; V98-L131 HydrophobicContact CG2-CB 4.43Å; V98-L131 HydrophobicContact CG2-CD2 4.16Å; V98-L133 HydrophobicContact CG1-CD1 3.59Å; V98-L133 HydrophobicContact CG1-CG 3.91Å; V98-L183 HydrophobicContact CG2-CD2 3.66Å |
| 99 | F | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 112.6 | 175.5 | -167.1 | -96.4 | 0 | 0 | 0 | 109.4 | I27 W87 V101 A112 E115 L116 L131 V132 L133 | I27-F99 HydrophobicContact CD1-CD2 4.07Å; I27-F99 HydrophobicContact CG1-CD2 4.02Å; I27-F99 CarbonylContact O-C 3.59Å; I27-F99 WeakPolarHBondContact O-CA 3.29Å; W87-F99 HydrophobicContact CH2-CE2 4.39Å; W87-F99 HydrophobicContact CZ3-CE2 4.1Å; F99-V101 HydrophobicContact CD1-CG1 3.78Å; F99-V101 HydrophobicContact CE1-CG1 3.49Å; F99-V101 VanDerWaalsContact CE1-CG1 3.49Å; F99-A112 HydrophobicContact CE1-CB 4.04Å; F99-A112 HydrophobicContact CZ-CB 4.2Å; F99-A112 WeakPolarHBondContact CZ-O 3.4Å; F99-E115 HydrophobicContact CZ-CB 4.47Å; F99-L116 HydrophobicContact CB-CD1 3.99Å; F99-L116 HydrophobicContact CD1-CB 4.27Å; F99-L116 HydrophobicContact CD1-CD1 4.1Å; F99-L116 HydrophobicContact CD1-CD2 4.31Å; F99-L116 HydrophobicContact CD1-CG 4.47Å; F99-L116 HydrophobicContact CD2-CB 4.41Å; F99-L116 HydrophobicContact CD2-CD1 3.94Å; F99-L116 HydrophobicContact CE1-CB 3.94Å; F99-L116 HydrophobicContact CE2-CB 4.11Å; F99-L116 HydrophobicContact CE2-CD1 4.47Å; F99-L116 HydrophobicContact CG-CB 4.49Å; F99-L116 HydrophobicContact CG-CD1 3.75Å; F99-L116 HydrophobicContact CZ-CB 3.87Å; F99-L131 PolarHBondContact N-O 2.79Å; F99-V132 HydrophobicContact CB-CG2 4.5Å; F99-V132 CarbonylContact O-C 3.55Å; F99-V132 VanDerWaalsContact O-CA 3.27Å; F99-V132 WeakPolarHBondContact O-CA 3.37Å; F99-L133 PolarHBondContact O-N 3.48Å |
| 100 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 131.7 | -177.2 | -169.2 | 0 | 0 | 0 | 0 | 109.4 | V26 I27 G28 A32 K34 V98 L133 N135 | V26-V100 HydrophobicContact CG1-CG2 3.7Å; I27-V100 PolarHBondContact O-N 3.25Å; G28-V100 WeakPolarHBondContact CA-O 3.48Å; A32-V100 HydrophobicContact CB-CB 4.39Å; A32-V100 HydrophobicContact CB-CG1 4.16Å; A32-V100 WeakPolarHBondContact CB-O 3.43Å; A32-V100 WeakPolarHBondContact O-CG1 3.43Å; K34-V100 HydrophobicContact CG-CB 3.81Å; K34-V100 HydrophobicContact CG-CG1 4.47Å; K34-V100 HydrophobicContact CG-CG2 3.84Å; V98-V100 HydrophobicContact CG1-CG2 4.02Å; V100-L133 HydrophobicContact CG1-CB 4.41Å; V100-L133 HydrophobicContact CG2-CB 4.33Å; V100-L133 HydrophobicContact CG2-CD1 4.42Å; V100-N135 HydrophobicContact CG1-CB 3.81Å |
| 101 | V | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 149.5 | 171.2 | -60.9 | 0 | 0 | 0 | 0 | 110.3 | F99 A103 L109 A112 V132 L133 N135 V148 L152 | F99-V101 HydrophobicContact CD1-CG1 3.78Å; F99-V101 HydrophobicContact CE1-CG1 3.49Å; F99-V101 VanDerWaalsContact CE1-CG1 3.49Å; V101-A103 PolarHBondContact O-N 2.87Å; V101-L109 HydrophobicContact CB-CD2 3.83Å; V101-L109 HydrophobicContact CG1-CD2 4.14Å; V101-L109 HydrophobicContact CG2-CD2 4.03Å; V101-A112 HydrophobicContact CG1-CB 3.96Å; V101-V132 HydrophobicContact CG2-CG1 4.43Å; V101-L133 PolarHBondContact N-O 2.85Å; V101-N135 WeakPolarHBondContact O-CB 3.21Å; V101-N135 PolarHBondContact O-N 3.39Å; V101-V148 HydrophobicContact CG2-CG1 3.67Å; V101-L152 HydrophobicContact CG1-CD1 3.91Å; V101-L152 HydrophobicContact CG1-CD2 4.45Å; V101-L152 HydrophobicContact CG2-CD1 4.42Å |
| 102 | D | 98.6 | Very high | 97.6 | Very high | 19 Ų | 19 | 43 Ų | 43 | 10% | 0.102 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 112.7 | 163.6 | -171.2 | -14.9 | 0 | 0 | 0 | 108.4 | A104 E105 K136 | D102-A104 VanDerWaalsContact C-N 3.26Å; D102-A104 PolarHBondContact O-N 3.13Å; D102-A104 WeakPolarHBondContact OD1-CB 3.45Å; D102-A104 PolarHBondContact OD1-N 3.19Å; D102-E105 HydrophobicContact CB-CB 3.93Å; D102-K136 VanDerWaalsContact CG-CE 3.49Å; D102-K136 WeakPolarHBondContact OD1-CD 3.43Å; D102-K136 WeakPolarHBondContact OD2-CD 3.23Å; D102-K136 WeakPolarHBondContact OD2-CE 3.42Å; D102-K136 IonicContact OD2-NZ 2.71Å; D102-K136 PolarHBondContact OD2-NZ 3.45Å |
| 103 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -16.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V101 A134 N135 Q137 A142 L143 V148 | V101-A103 PolarHBondContact O-N 2.87Å; A103-A134 HydrophobicContact CB-CB 4.31Å; A103-N135 WeakPolarHBondContact CB-O 3.32Å; A103-N135 PolarHBondContact N-O 2.7Å; A103-Q137 VanDerWaalsContact CB-NE2 3.27Å; A103-A142 HydrophobicContact CB-CB 4.26Å; A103-A142 WeakPolarHBondContact O-CA 3.45Å; A103-L143 WeakPolarHBondContact CB-O 3.46Å; A103-L143 PolarHBondContact O-N 3.15Å; A103-V148 HydrophobicContact CB-CG2 4.22Å |
| 104 | A | 98.2 | Very high | 98.2 | Very high | 38 Ų | 38 | 33 Ų | 33 | 31% | 0.314 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -6.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | D102 Q139 A142 | D102-A104 VanDerWaalsContact C-N 3.26Å; D102-A104 PolarHBondContact O-N 3.13Å; D102-A104 WeakPolarHBondContact OD1-CB 3.45Å; D102-A104 PolarHBondContact OD1-N 3.19Å; A104-Q139 HydrophobicContact CB-CB 3.89Å; A104-A142 HydrophobicContact CB-CB 4.38Å |
| 105 | E | 97.7 | Very high | 98.3 | Very high | 52 Ų | 52 | 33.7 Ų | 33.7 | 24% | 0.243 | 18% | 0.175 | C | C | . | . | trans | -114.3 | 68.2 | -177.9 | -159.7 | -179.9 | -171.7 | 0 | 0 | 110.5 | D102 E107 R108 | D102-E105 HydrophobicContact CB-CB 3.93Å; E105-E107 HydrophobicContact CG-CG 4.33Å; E105-E107 WeakPolarHBondContact CG-OE1 3.24Å; E105-E107 PolarHBondContact O-N 2.89Å; E105-R108 HydrophobicContact CG-CB 4.29Å; E105-R108 HydrophobicContact CG-CG 4Å; E105-R108 PolarHBondContact O-N 3.46Å; E105-R108 VanDerWaalsContact O-N 3.15Å; E105-R108 WeakPolarHBondContact OE1-CD 3.33Å; E105-R108 WeakPolarHBondContact OE2-CD 3.28Å | ||
| 106 | A | 96.9 | Very high | 98.4 | Very high | 32 Ų | 32 | 32 Ų | 32 | 26% | 0.264 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -60.6 | -30.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R108 L109 L143 | A106-R108 VanDerWaalsContact C-N 3.28Å; A106-R108 PolarHBondContact O-N 2.9Å; A106-L109 WeakPolarHBondContact O-CB 3.31Å; A106-L109 PolarHBondContact O-N 3.19Å; A106-L143 HydrophobicContact CB-CD1 3.82Å |
| 107 | E | 97.4 | Very high | 98.4 | Very high | 144 Ų | 144 | 32.8 Ų | 32.8 | 67% | 0.673 | 17% | 0.169 | S | C | * | . | G | 310 helix | trans | -63.5 | -30.3 | 178.8 | 63 | -82.2 | -166.2 | 0 | 0 | 113 | E105 | E105-E107 HydrophobicContact CG-CG 4.33Å; E105-E107 WeakPolarHBondContact CG-OE1 3.24Å; E105-E107 PolarHBondContact O-N 2.89Å |
| 108 | R | 97.8 | Very high | 98.3 | Very high | 40 Ų | 40 | 37.2 Ų | 37.2 | 15% | 0.151 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -87.3 | -4.9 | 178.6 | -68.6 | -165.1 | 68.8 | -177.4 | 3.1 | 113.8 | L29 D30 E105 A106 E110 E111 A112 | L29-R108 HydrophobicContact CD1-CB 4.04Å; L29-R108 WeakPolarHBondContact CD1-O 3.4Å; D30-R108 PolarHBondContact O-NH1 2.98Å; D30-R108 IonicContact OD1-CZ 3.76Å; D30-R108 IonicContact OD1-NH1 3.95Å; D30-R108 IonicContact OD1-NH2 2.86Å; D30-R108 PolarHBondContact OD1-NH2 3.25Å; D30-R108 IonicContact OD2-CZ 2.99Å; D30-R108 IonicContact OD2-NH1 3.69Å; D30-R108 PolarHBondContact OD2-NH1 3.24Å; D30-R108 IonicContact OD2-NH2 3.24Å; E105-R108 HydrophobicContact CG-CB 4.29Å; E105-R108 HydrophobicContact CG-CG 4Å; E105-R108 PolarHBondContact O-N 3.46Å; E105-R108 VanDerWaalsContact O-N 3.15Å; E105-R108 WeakPolarHBondContact OE1-CD 3.33Å; E105-R108 WeakPolarHBondContact OE2-CD 3.28Å; A106-R108 VanDerWaalsContact C-N 3.28Å; A106-R108 PolarHBondContact O-N 2.9Å; R108-E110 VanDerWaalsContact C-N 3.26Å; R108-E110 PolarHBondContact O-N 3.1Å; R108-E111 IonicContact CZ-OE2 2.89Å; R108-E111 IonicContact NE-OE2 2.86Å; R108-E111 PolarHBondContact NE-OE2 3.01Å; R108-E111 IonicContact NH2-OE1 3.09Å; R108-E111 IonicContact NH2-OE2 2.61Å; R108-E111 PolarHBondContact NH2-OE2 3.45Å; R108-E111 WeakPolarHBondContact O-CB 3.47Å; R108-E111 PolarHBondContact O-N 2.82Å; R108-A112 WeakPolarHBondContact O-CB 3.35Å; R108-A112 PolarHBondContact O-N 3.09Å |
| 109 | L | 98.3 | Very high | 98.2 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.8 | -26.1 | 179.7 | -70.5 | -178.5 | 0 | 0 | 0 | 113.3 | V101 A106 A112 K113 L143 R151 L152 | V101-L109 HydrophobicContact CB-CD2 3.83Å; V101-L109 HydrophobicContact CG1-CD2 4.14Å; V101-L109 HydrophobicContact CG2-CD2 4.03Å; A106-L109 WeakPolarHBondContact O-CB 3.31Å; A106-L109 PolarHBondContact O-N 3.19Å; L109-A112 PolarHBondContact O-N 3.24Å; L109-K113 VanDerWaalsContact O-CB 3.29Å; L109-K113 WeakPolarHBondContact O-CB 3.3Å; L109-K113 PolarHBondContact O-N 2.85Å; L109-L143 HydrophobicContact CD1-CD1 3.41Å; L109-L143 VanDerWaalsContact CD1-CD1 3.41Å; L109-R151 HydrophobicContact CB-CB 4.49Å; L109-R151 HydrophobicContact CD1-CB 4.11Å; L109-L152 HydrophobicContact CB-CD2 4.44Å; L109-L152 HydrophobicContact CD2-CD2 4.18Å; L109-L152 WeakPolarHBondContact O-CD2 3.45Å |
| 110 | E | 98.4 | Very high | 98.1 | Very high | 106 Ų | 106 | 37.5 Ų | 37.5 | 50% | 0.495 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -70.1 | -42.4 | 174.2 | -169.1 | 59.2 | -150.6 | 0 | 0 | 111.2 | R108 A112 K113 V114 | R108-E110 VanDerWaalsContact C-N 3.26Å; R108-E110 PolarHBondContact O-N 3.1Å; E110-A112 VanDerWaalsContact C-N 3.31Å; E110-A112 PolarHBondContact O-N 3.32Å; E110-K113 WeakPolarHBondContact O-CB 3.47Å; E110-K113 PolarHBondContact O-N 3.01Å; E110-K113 IonicContact OE1-NZ 3.61Å; E110-K113 IonicContact OE2-NZ 3.84Å; E110-V114 WeakPolarHBondContact O-CG2 3.47Å; E110-V114 PolarHBondContact O-N 2.84Å |
| 111 | E | 98.6 | Very high | 97.8 | Very high | 66 Ų | 66 | 44.6 Ų | 44.6 | 31% | 0.308 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.7 | -45.5 | 171.3 | -176 | -170.8 | -169.3 | 0 | 0 | 110.6 | L29 R84 R108 K113 V114 E115 | L29-E111 HydrophobicContact CD1-CB 4.12Å; L29-E111 HydrophobicContact CD1-CG 4.09Å; L29-E111 WeakPolarHBondContact CD1-OE2 3.43Å; L29-E111 HydrophobicContact CD2-CG 4.03Å; R84-E111 IonicContact CZ-OE1 3.69Å; R84-E111 IonicContact NH1-OE1 3.61Å; R84-E111 PolarHBondContact NH1-OE1 2.89Å; R84-E111 IonicContact NH2-OE1 3.81Å; R84-E111 PolarHBondContact NH2-OE1 3.14Å; R84-E111 IonicContact NH2-OE2 3.5Å; R108-E111 IonicContact CZ-OE2 2.89Å; R108-E111 IonicContact NE-OE2 2.86Å; R108-E111 PolarHBondContact NE-OE2 3.01Å; R108-E111 IonicContact NH2-OE1 3.09Å; R108-E111 IonicContact NH2-OE2 2.61Å; R108-E111 PolarHBondContact NH2-OE2 3.45Å; R108-E111 WeakPolarHBondContact O-CB 3.47Å; R108-E111 PolarHBondContact O-N 2.82Å; E111-K113 VanDerWaalsContact C-N 3.34Å; E111-K113 PolarHBondContact O-N 2.75Å; E111-V114 PolarHBondContact O-N 2.81Å; E111-E115 WeakPolarHBondContact O-CB 3.4Å; E111-E115 WeakPolarHBondContact O-CG 3.37Å; E111-E115 PolarHBondContact O-N 2.93Å; E111-E115 VanDerWaalsContact O-N 3.1Å |
| 112 | A | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -39.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L29 F99 V101 R108 L109 E110 E115 L116 L152 | L29-A112 HydrophobicContact CD1-CB 3.74Å; L29-A112 HydrophobicContact CG-CB 4.02Å; F99-A112 HydrophobicContact CE1-CB 4.04Å; F99-A112 HydrophobicContact CZ-CB 4.2Å; F99-A112 WeakPolarHBondContact CZ-O 3.4Å; V101-A112 HydrophobicContact CG1-CB 3.96Å; R108-A112 WeakPolarHBondContact O-CB 3.35Å; R108-A112 PolarHBondContact O-N 3.09Å; L109-A112 PolarHBondContact O-N 3.24Å; E110-A112 VanDerWaalsContact C-N 3.31Å; E110-A112 PolarHBondContact O-N 3.32Å; A112-E115 PolarHBondContact O-N 2.87Å; A112-L116 VanDerWaalsContact O-CB 3.3Å; A112-L116 WeakPolarHBondContact O-CB 3.4Å; A112-L116 PolarHBondContact O-N 3.33Å; A112-L152 HydrophobicContact CB-CD2 3.98Å |
| 113 | K | 98.8 | Very high | 97.3 | Very high | 56 Ų | 56 | 49.4 Ų | 49.4 | 24% | 0.243 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.2 | -51.5 | 175.1 | 174.8 | -171.4 | 175.3 | -171.5 | 0 | 111.1 | L109 E110 E111 E115 L116 H117 R151 L152 | L109-K113 VanDerWaalsContact O-CB 3.29Å; L109-K113 WeakPolarHBondContact O-CB 3.3Å; L109-K113 PolarHBondContact O-N 2.85Å; E110-K113 WeakPolarHBondContact O-CB 3.47Å; E110-K113 PolarHBondContact O-N 3.01Å; E110-K113 IonicContact OE1-NZ 3.61Å; E110-K113 IonicContact OE2-NZ 3.84Å; E111-K113 VanDerWaalsContact C-N 3.34Å; E111-K113 PolarHBondContact O-N 2.75Å; K113-E115 PolarHBondContact O-N 2.88Å; K113-L116 PolarHBondContact O-N 3.26Å; K113-H117 PolarHBondContact O-CD2 3.1Å; K113-H117 VanDerWaalsContact O-CD2 3.22Å; K113-H117 PolarHBondContact O-N 3.34Å; K113-R151 WeakPolarHBondContact CD-O 3.35Å; K113-L152 HydrophobicContact CB-CD2 4.01Å |
| 114 | V | 98.6 | Very high | 97 | Very high | 84 Ų | 84 | 53.8 Ų | 53.8 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -54 | -45.2 | 178.7 | 170.3 | 0 | 0 | 0 | 0 | 110.1 | E110 E111 R118 | E110-V114 WeakPolarHBondContact O-CG2 3.47Å; E110-V114 PolarHBondContact O-N 2.84Å; E111-V114 PolarHBondContact O-N 2.81Å; V114-R118 VanDerWaalsContact O-CB 3.23Å; V114-R118 WeakPolarHBondContact O-CB 3.32Å; V114-R118 PolarHBondContact O-N 3.06Å |
| 115 | E | 98.6 | Very high | 96.8 | Very high | 19 Ų | 19 | 52.2 Ų | 52.2 | 9% | 0.089 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.8 | -42.9 | 179.7 | -76.4 | -62.1 | 169.5 | 0 | 0 | 114 | L29 R84 W87 F99 E111 A112 K113 R118 I119 | L29-E115 HydrophobicContact CD2-CG 4.22Å; R84-E115 IonicContact NH1-OE1 3.44Å; W87-E115 HydrophobicContact CH2-CB 4.4Å; W87-E115 HydrophobicContact CZ3-CB 3.94Å; W87-E115 HydrophobicContact CZ3-CG 4.38Å; F99-E115 HydrophobicContact CZ-CB 4.47Å; E111-E115 WeakPolarHBondContact O-CB 3.4Å; E111-E115 WeakPolarHBondContact O-CG 3.37Å; E111-E115 PolarHBondContact O-N 2.93Å; E111-E115 VanDerWaalsContact O-N 3.1Å; A112-E115 PolarHBondContact O-N 2.87Å; K113-E115 PolarHBondContact O-N 2.88Å; E115-R118 PolarHBondContact O-N 2.86Å; E115-R118 IonicContact OE1-CZ 3.46Å; E115-R118 VanDerWaalsContact OE1-CZ 3.24Å; E115-R118 IonicContact OE1-NE 3.11Å; E115-R118 IonicContact OE1-NH1 3.01Å; E115-R118 IonicContact OE1-NH2 2.65Å; E115-R118 PolarHBondContact OE1-NH2 3.08Å; E115-R118 IonicContact OE2-CZ 3.96Å; E115-R118 IonicContact OE2-NE 2.99Å; E115-R118 PolarHBondContact OE2-NE 3.03Å; E115-R118 IonicContact OE2-NH2 2.7Å; E115-R118 PolarHBondContact OE2-NH2 3.05Å; E115-I119 WeakPolarHBondContact O-CG2 3.27Å; E115-I119 PolarHBondContact O-N 2.96Å |
| 116 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 174.8 | 176.7 | 58 | 0 | 0 | 0 | 111.8 | F99 A112 K113 I119 S120 V130 V132 L152 V154 L157 | F99-L116 HydrophobicContact CB-CD1 3.99Å; F99-L116 HydrophobicContact CD1-CB 4.27Å; F99-L116 HydrophobicContact CD1-CD1 4.1Å; F99-L116 HydrophobicContact CD1-CD2 4.31Å; F99-L116 HydrophobicContact CD1-CG 4.47Å; F99-L116 HydrophobicContact CD2-CB 4.41Å; F99-L116 HydrophobicContact CD2-CD1 3.94Å; F99-L116 HydrophobicContact CE1-CB 3.94Å; F99-L116 HydrophobicContact CE2-CB 4.11Å; F99-L116 HydrophobicContact CE2-CD1 4.47Å; F99-L116 HydrophobicContact CG-CB 4.49Å; F99-L116 HydrophobicContact CG-CD1 3.75Å; F99-L116 HydrophobicContact CZ-CB 3.87Å; A112-L116 VanDerWaalsContact O-CB 3.3Å; A112-L116 WeakPolarHBondContact O-CB 3.4Å; A112-L116 PolarHBondContact O-N 3.33Å; K113-L116 PolarHBondContact O-N 3.26Å; L116-I119 WeakPolarHBondContact O-CG2 3.27Å; L116-S120 VanDerWaalsContact O-CB 3.25Å; L116-S120 WeakPolarHBondContact O-CB 3.5Å; L116-S120 PolarHBondContact O-N 3.07Å; L116-S120 PolarHBondContact O-OG 2.88Å; L116-V130 HydrophobicContact CD1-CG1 4.06Å; L116-V132 HydrophobicContact CD2-CG2 4.28Å; L116-L152 HydrophobicContact CD2-CB 4.15Å; L116-L152 HydrophobicContact CD2-CD1 4.23Å; L116-V154 HydrophobicContact CD2-CG2 4.44Å; L116-L157 HydrophobicContact CG-CD1 4.48Å; L116-L157 HydrophobicContact CG-CD2 4.5Å |
| 117 | H | 98.2 | Very high | 96.3 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 7% | 0.074 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 177.8 | -81.7 | -98.3 | 0 | 0 | 0 | 111.1 | K113 I119 S120 R121 L152 A153 | K113-H117 PolarHBondContact O-CD2 3.1Å; K113-H117 VanDerWaalsContact O-CD2 3.22Å; K113-H117 PolarHBondContact O-N 3.34Å; H117-I119 PolarHBondContact O-N 2.89Å; H117-S120 WeakPolarHBondContact CA-OG 3.4Å; H117-S120 PolarHBondContact O-OG 3.16Å; H117-S120 VanDerWaalsContact O-OG 3.13Å; H117-R121 PolarHBondContact ND1-NH2 3.45Å; H117-R121 VanDerWaalsContact O-CB 3.26Å; H117-R121 WeakPolarHBondContact O-CB 3.17Å; H117-R121 WeakPolarHBondContact O-CG 3.37Å; H117-R121 PolarHBondContact O-N 2.86Å; H117-L152 PolarHBondContact NE2-O 3.22Å; H117-L152 VanDerWaalsContact NE2-O 3.11Å; H117-A153 PolarHBondContact NE2-O 2.91Å |
| 118 | R | 97.3 | Very high | 96.3 | Very high | 96 Ų | 96 | 46.3 Ų | 46.3 | 36% | 0.362 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.3 | -46.9 | 176.9 | -176.6 | 178.7 | 76.2 | 157.5 | 3.3 | 112.3 | V114 E115 | V114-R118 VanDerWaalsContact O-CB 3.23Å; V114-R118 WeakPolarHBondContact O-CB 3.32Å; V114-R118 PolarHBondContact O-N 3.06Å; E115-R118 PolarHBondContact O-N 2.86Å; E115-R118 IonicContact OE1-CZ 3.46Å; E115-R118 VanDerWaalsContact OE1-CZ 3.24Å; E115-R118 IonicContact OE1-NE 3.11Å; E115-R118 IonicContact OE1-NH1 3.01Å; E115-R118 IonicContact OE1-NH2 2.65Å; E115-R118 PolarHBondContact OE1-NH2 3.08Å; E115-R118 IonicContact OE2-CZ 3.96Å; E115-R118 IonicContact OE2-NE 2.99Å; E115-R118 PolarHBondContact OE2-NE 3.03Å; E115-R118 IonicContact OE2-NH2 2.7Å; E115-R118 PolarHBondContact OE2-NH2 3.05Å |
| 119 | I | 97.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -76.3 | -38.5 | -175.7 | -162.5 | 61.1 | 0 | 0 | 0 | 112.3 | I27 W87 R88 T91 L97 E115 L116 H117 A122 N125 | I27-I119 HydrophobicContact CD1-CB 4.3Å; I27-I119 HydrophobicContact CD1-CG1 3.86Å; I27-I119 HydrophobicContact CD1-CG2 3.79Å; W87-I119 HydrophobicContact CB-CD1 3.99Å; R88-I119 HydrophobicContact CG-CD1 4.07Å; T91-I119 HydrophobicContact CG2-CD1 4.28Å; T91-I119 HydrophobicContact CG2-CG1 4.05Å; L97-I119 HydrophobicContact CD2-CG2 4.12Å; E115-I119 WeakPolarHBondContact O-CG2 3.27Å; E115-I119 PolarHBondContact O-N 2.96Å; L116-I119 WeakPolarHBondContact O-CG2 3.27Å; H117-I119 PolarHBondContact O-N 2.89Å; I119-A122 WeakPolarHBondContact O-CB 3.3Å; I119-A122 PolarHBondContact O-N 2.94Å; I119-N125 WeakPolarHBondContact O-CB 3.09Å; I119-N125 PolarHBondContact O-ND2 3.08Å |
| 120 | S | 95.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.3 | -31.6 | 179.4 | 58 | 0 | 0 | 0 | 0 | 113.1 | L116 H117 A122 L157 | L116-S120 VanDerWaalsContact O-CB 3.25Å; L116-S120 WeakPolarHBondContact O-CB 3.5Å; L116-S120 PolarHBondContact O-N 3.07Å; L116-S120 PolarHBondContact O-OG 2.88Å; H117-S120 WeakPolarHBondContact CA-OG 3.4Å; H117-S120 PolarHBondContact O-OG 3.16Å; H117-S120 VanDerWaalsContact O-OG 3.13Å; S120-A122 VanDerWaalsContact C-N 3.3Å; S120-L157 VanDerWaalsContact OG-CD2 3.28Å; S120-L157 WeakPolarHBondContact OG-CD2 3.19Å |
| 121 | R | 93.9 | Very high | 96.4 | Very high | 149 Ų | 149 | 39.2 Ų | 39.2 | 56% | 0.562 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -11.3 | 177.1 | -68.5 | 176.4 | -169.7 | -150.5 | 3.6 | 113.8 | H117 S123 Q126 | H117-R121 PolarHBondContact ND1-NH2 3.45Å; H117-R121 VanDerWaalsContact O-CB 3.26Å; H117-R121 WeakPolarHBondContact O-CB 3.17Å; H117-R121 WeakPolarHBondContact O-CG 3.37Å; H117-R121 PolarHBondContact O-N 2.86Å; R121-S123 PolarHBondContact O-N 3.17Å; R121-Q126 PolarHBondContact O-NE2 3.06Å |
| 122 | A | 94.4 | Very high | 96.4 | Very high | 22 Ų | 22 | 36.1 Ų | 36.1 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -56.1 | 138.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | I119 S120 D124 N125 Q126 | I119-A122 WeakPolarHBondContact O-CB 3.3Å; I119-A122 PolarHBondContact O-N 2.94Å; S120-A122 VanDerWaalsContact C-N 3.3Å; A122-D124 PolarHBondContact O-N 3.4Å; A122-D124 VanDerWaalsContact O-N 3.15Å; A122-N125 HydrophobicContact CB-CB 4.34Å; A122-N125 PolarHBondContact O-N 3.42Å; A122-Q126 PolarHBondContact O-N 2.97Å |
| 123 | S | 92 | Very high | 96.4 | Very high | 101 Ų | 101 | 36.1 Ų | 36.1 | 71% | 0.706 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -54.1 | -38 | -176.4 | 48.7 | 0 | 0 | 0 | 0 | 112.9 | R121 N125 | R121-S123 PolarHBondContact O-N 3.17Å; S123-N125 PolarHBondContact O-N 3.3Å |
| 124 | D | 92.1 | Very high | 96.4 | Very high | 92 Ų | 92 | 33.4 Ų | 33.4 | 49% | 0.492 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -71.2 | -15.9 | 179.5 | -65 | -33.8 | 0 | 0 | 0 | 113.8 | R92 A122 | R92-D124 WeakPolarHBondContact CD-OD2 3.33Å; R92-D124 HydrophobicContact CG-CB 3.93Å; R92-D124 WeakPolarHBondContact CG-OD2 3.49Å; A122-D124 PolarHBondContact O-N 3.4Å; A122-D124 VanDerWaalsContact O-N 3.15Å |
| 125 | N | 94.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.027 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -108.5 | 2.7 | -174 | -66.3 | -18.3 | 0 | 0 | 0 | 113.5 | T91 I119 A122 S123 G127 V128 | T91-N125 WeakPolarHBondContact CB-ND2 3.44Å; T91-N125 PolarHBondContact O-OD1 2.72Å; T91-N125 PolarHBondContact OG1-ND2 3.15Å; I119-N125 WeakPolarHBondContact O-CB 3.09Å; I119-N125 PolarHBondContact O-ND2 3.08Å; A122-N125 HydrophobicContact CB-CB 4.34Å; A122-N125 PolarHBondContact O-N 3.42Å; S123-N125 PolarHBondContact O-N 3.3Å; N125-G127 PolarHBondContact O-N 3.36Å; N125-V128 HydrophobicContact CB-CG2 4.39Å; N125-V128 VanDerWaalsContact O-CB 3.3Å; N125-V128 WeakPolarHBondContact O-CB 3.36Å; N125-V128 VanDerWaalsContact O-CG2 3.31Å; N125-V128 WeakPolarHBondContact O-CG2 3.25Å; N125-V128 PolarHBondContact O-N 3.38Å |
| 126 | Q | 91.5 | Very high | 96.4 | Very high | 90 Ų | 90 | 31.1 Ų | 31.1 | 42% | 0.421 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 125.3 | -179.5 | -69.7 | -64.8 | -31.9 | 0 | 0 | 111.9 | R121 A122 V128 R190 | R121-Q126 PolarHBondContact O-NE2 3.06Å; A122-Q126 PolarHBondContact O-N 2.97Å; Q126-V128 PolarHBondContact O-N 3.31Å; Q126-R190 PolarHBondContact O-NH2 2.93Å |
| 127 | G | 92.7 | Very high | 96.4 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 9% | 0.093 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 6.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N125 R190 | N125-G127 PolarHBondContact O-N 3.36Å; G127-R190 WeakPolarHBondContact O-CD 3.34Å; G127-R190 PolarHBondContact O-NE 2.8Å |
| 128 | V | 97.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 4% | 0.036 | 18% | 0.182 | C | C | . | . | trans | -63.2 | 127.1 | 170.7 | 174.6 | 0 | 0 | 0 | 0 | 108.8 | T94 L97 N125 Q126 T161 | T94-V128 HydrophobicContact CG2-CG1 3.6Å; T94-V128 HydrophobicContact CG2-CG2 4.39Å; L97-V128 HydrophobicContact CB-CG1 4.19Å; N125-V128 HydrophobicContact CB-CG2 4.39Å; N125-V128 VanDerWaalsContact O-CB 3.3Å; N125-V128 WeakPolarHBondContact O-CB 3.36Å; N125-V128 VanDerWaalsContact O-CG2 3.31Å; N125-V128 WeakPolarHBondContact O-CG2 3.25Å; N125-V128 PolarHBondContact O-N 3.38Å; Q126-V128 PolarHBondContact O-N 3.31Å; V128-T161 WeakPolarHBondContact O-CG2 3.34Å | ||
| 129 | P | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -61.6 | 138.7 | 177.3 | -22.7 | 36.6 | 0 | 0 | 0 | 111.4 | D95 L97 L162 L183 M186 I187 R190 | D95-P129 VanDerWaalsContact O-CD 3.27Å; D95-P129 WeakPolarHBondContact O-CD 3.07Å; L97-P129 PolarHBondContact N-O 3.47Å; P129-L162 CarbonylContact C-O 3.39Å; P129-L162 WeakPolarHBondContact CA-O 3.44Å; P129-L162 HydrophobicContact CB-CB 4.41Å; P129-L183 HydrophobicContact CB-CD1 4.23Å; P129-M186 HydrophobicContact CB-CB 3.7Å; P129-M186 HydrophobicContact CB-CE 4.32Å; P129-M186 HydrophobicContact CG-CB 4.17Å; P129-I187 HydrophobicContact CG-CG1 4.16Å; P129-R190 HydrophobicContact CG-CB 4.35Å | ||
| 130 | V | 98.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 115.1 | -178 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | L97 L116 V132 L157 T161 L162 T163 H164 | L97-V130 HydrophobicContact CB-CG2 4.28Å; L97-V130 HydrophobicContact CD2-CG1 4.4Å; L97-V130 HydrophobicContact CD2-CG2 4.11Å; L97-V130 WeakPolarHBondContact O-CA 3.28Å; L116-V130 HydrophobicContact CD1-CG1 4.06Å; V130-V132 HydrophobicContact CG1-CG2 4.25Å; V130-L157 HydrophobicContact CG2-CD1 4.48Å; V130-T161 HydrophobicContact CB-CG2 4.35Å; V130-T161 HydrophobicContact CG2-CG2 3.71Å; V130-L162 PolarHBondContact N-O 3.43Å; V130-T163 HydrophobicContact CB-CG2 4.46Å; V130-T163 VanDerWaalsContact O-CA 3.28Å; V130-T163 WeakPolarHBondContact O-CA 3.14Å; V130-H164 PolarHBondContact O-N 3.48Å; V130-H164 VanDerWaalsContact O-N 3.1Å |
| 131 | L | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 121.7 | 164.6 | 173 | 68 | 0 | 0 | 0 | 108.4 | L97 V98 F99 L133 H164 Q166 G179 L180 L183 | L97-L131 PolarHBondContact O-N 2.86Å; V98-L131 CarbonylContact C-O 3.49Å; V98-L131 WeakPolarHBondContact CA-O 3.31Å; V98-L131 HydrophobicContact CG1-CD2 4.45Å; V98-L131 HydrophobicContact CG2-CB 4.43Å; V98-L131 HydrophobicContact CG2-CD2 4.16Å; F99-L131 PolarHBondContact N-O 2.79Å; L131-L133 HydrophobicContact CD1-CD2 4.19Å; L131-L133 HydrophobicContact CD2-CD1 4.46Å; L131-L133 HydrophobicContact CD2-CD2 3.79Å; L131-L133 HydrophobicContact CD2-CG 4.07Å; L131-L133 HydrophobicContact CG-CD2 3.96Å; L131-L133 HydrophobicContact CG-CG 4.18Å; L131-H164 WeakPolarHBondContact CA-O 3.39Å; L131-H164 HydrophobicContact CD1-CB 4.23Å; L131-Q166 HydrophobicContact CD1-CB 4.19Å; L131-G179 VanDerWaalsContact CD2-C 3.48Å; L131-G179 VanDerWaalsContact CD2-O 3.29Å; L131-G179 WeakPolarHBondContact CD2-O 3.41Å; L131-L180 HydrophobicContact CD2-CD2 4.38Å; L131-L183 HydrophobicContact CB-CB 4.2Å; L131-L183 HydrophobicContact CB-CD1 4.1Å; L131-L183 HydrophobicContact CD2-CB 4.16Å |
| 132 | V | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 125.8 | 166.8 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | F99 V101 L116 V130 V148 L152 V154 H164 V165 Q166 | F99-V132 HydrophobicContact CB-CG2 4.5Å; F99-V132 CarbonylContact O-C 3.55Å; F99-V132 VanDerWaalsContact O-CA 3.27Å; F99-V132 WeakPolarHBondContact O-CA 3.37Å; V101-V132 HydrophobicContact CG2-CG1 4.43Å; L116-V132 HydrophobicContact CD2-CG2 4.28Å; V130-V132 HydrophobicContact CG1-CG2 4.25Å; V132-V148 HydrophobicContact CG1-CG1 4.16Å; V132-L152 HydrophobicContact CG1-CD1 3.73Å; V132-V154 HydrophobicContact CG2-CG2 4.18Å; V132-H164 PolarHBondContact N-O 3Å; V132-V165 HydrophobicContact CB-CB 4.39Å; V132-V165 HydrophobicContact CB-CG1 4.11Å; V132-V165 HydrophobicContact CB-CG2 4.06Å; V132-V165 HydrophobicContact CG1-CG1 4.12Å; V132-V165 HydrophobicContact CG2-CG2 4.43Å; V132-V165 WeakPolarHBondContact O-CA 3.3Å; V132-Q166 PolarHBondContact O-N 3.21Å |
| 133 | L | 98.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 107.7 | 171.5 | -67.8 | -177.2 | 0 | 0 | 0 | 108.7 | L37 V98 F99 V100 V101 L131 N135 Q166 | L37-L133 HydrophobicContact CD1-CD1 3.76Å; L37-L133 HydrophobicContact CD2-CD1 3.53Å; L37-L133 HydrophobicContact CG-CD1 4.29Å; V98-L133 HydrophobicContact CG1-CD1 3.59Å; V98-L133 HydrophobicContact CG1-CG 3.91Å; F99-L133 PolarHBondContact O-N 3.48Å; V100-L133 HydrophobicContact CG1-CB 4.41Å; V100-L133 HydrophobicContact CG2-CB 4.33Å; V100-L133 HydrophobicContact CG2-CD1 4.42Å; V101-L133 PolarHBondContact N-O 2.85Å; L131-L133 HydrophobicContact CD1-CD2 4.19Å; L131-L133 HydrophobicContact CD2-CD1 4.46Å; L131-L133 HydrophobicContact CD2-CD2 3.79Å; L131-L133 HydrophobicContact CD2-CG 4.07Å; L131-L133 HydrophobicContact CG-CD2 3.96Å; L131-L133 HydrophobicContact CG-CG 4.18Å; L133-N135 VanDerWaalsContact C-N 3.3Å; L133-N135 PolarHBondContact O-N 2.94Å; L133-N135 VanDerWaalsContact O-N 3.1Å; L133-Q166 WeakPolarHBondContact CA-O 3.47Å; L133-Q166 HydrophobicContact CD2-CB 3.94Å; L133-Q166 HydrophobicContact CD2-CG 4.31Å |
| 134 | A | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 84 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | A103 Q137 V148 V165 Q166 C168 | A103-A134 HydrophobicContact CB-CB 4.31Å; A134-Q137 WeakPolarHBondContact O-CG 3.26Å; A134-V148 HydrophobicContact CB-CB 4.06Å; A134-V148 HydrophobicContact CB-CG1 4.09Å; A134-V148 HydrophobicContact CB-CG2 3.81Å; A134-V165 HydrophobicContact CB-CG1 4.49Å; A134-Q166 PolarHBondContact N-O 3.04Å; A134-C168 PolarHBondContact O-N 3.46Å |
| 135 | N | 98.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 167.9 | -172.3 | -170 | 33.9 | 0 | 0 | 0 | 111.6 | A32 L37 V100 V101 A103 L133 C168 A170 | A32-N135 PolarHBondContact O-ND2 3.28Å; L37-N135 HydrophobicContact CD1-CB 4.45Å; V100-N135 HydrophobicContact CG1-CB 3.81Å; V101-N135 WeakPolarHBondContact O-CB 3.21Å; V101-N135 PolarHBondContact O-N 3.39Å; A103-N135 WeakPolarHBondContact CB-O 3.32Å; A103-N135 PolarHBondContact N-O 2.7Å; L133-N135 VanDerWaalsContact C-N 3.3Å; L133-N135 PolarHBondContact O-N 2.94Å; L133-N135 VanDerWaalsContact O-N 3.1Å; N135-C168 CarbonylContact C-O 3.57Å; N135-C168 VanDerWaalsContact CA-O 3.3Å; N135-C168 WeakPolarHBondContact CA-O 3.12Å; N135-A170 PolarHBondContact OD1-N 3.38Å |
| 136 | K | 98.3 | Very high | 97.7 | Very high | 51 Ų | 51 | 35.9 Ų | 35.9 | 22% | 0.222 | 23% | 0.227 | C | C | . | . | trans | 68 | 32.5 | -179.9 | -45.2 | -160.3 | -164.5 | 171.2 | 0 | 114.2 | S31 D102 D138 Q139 A142 C168 | S31-K136 VanDerWaalsContact O-CE 3.24Å; S31-K136 WeakPolarHBondContact O-CE 3.5Å; S31-K136 PolarHBondContact O-NZ 3.33Å; D102-K136 VanDerWaalsContact CG-CE 3.49Å; D102-K136 WeakPolarHBondContact OD1-CD 3.43Å; D102-K136 WeakPolarHBondContact OD2-CD 3.23Å; D102-K136 WeakPolarHBondContact OD2-CE 3.42Å; D102-K136 IonicContact OD2-NZ 2.71Å; D102-K136 PolarHBondContact OD2-NZ 3.45Å; K136-D138 VanDerWaalsContact CA-OD1 3.29Å; K136-D138 WeakPolarHBondContact CA-OD1 3.33Å; K136-D138 PolarHBondContact O-N 2.96Å; K136-D138 VanDerWaalsContact O-N 3.12Å; K136-Q139 HydrophobicContact CB-CG 3.96Å; K136-Q139 WeakPolarHBondContact O-CB 3.33Å; K136-Q139 PolarHBondContact O-N 3.06Å; K136-A142 WeakPolarHBondContact O-CB 3.29Å; K136-C168 PolarHBondContact N-O 3.42Å; K136-C168 VanDerWaalsContact N-O 3.12Å | ||
| 137 | Q | 98.6 | Very high | 98 | Very high | 72 Ų | 72 | 36 Ų | 36 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -12.3 | 172.6 | -64.1 | -66.8 | -75.6 | 0 | 0 | 113.3 | A103 A134 Q139 L143 C168 | A103-Q137 VanDerWaalsContact CB-NE2 3.27Å; A134-Q137 WeakPolarHBondContact O-CG 3.26Å; Q137-Q139 VanDerWaalsContact C-N 3.25Å; Q137-L143 PolarHBondContact NE2-O 3.39Å; Q137-C168 WeakPolarHBondContact CG-O 3.27Å; Q137-C168 PolarHBondContact N-O 3.43Å; Q137-C168 VanDerWaalsContact N-O 3.11Å |
| 138 | D | 97.8 | Very high | 98.3 | Very high | 55 Ų | 55 | 35.5 Ų | 35.5 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -18.1 | 170.3 | 56.9 | -76.2 | 0 | 0 | 0 | 113.5 | K136 S169 | K136-D138 VanDerWaalsContact CA-OD1 3.29Å; K136-D138 WeakPolarHBondContact CA-OD1 3.33Å; K136-D138 PolarHBondContact O-N 2.96Å; K136-D138 VanDerWaalsContact O-N 3.12Å; D138-S169 WeakPolarHBondContact OD1-CB 3.46Å; D138-S169 PolarHBondContact OD1-OG 3.38Å |
| 139 | Q | 97.8 | Very high | 98.4 | Very high | 92 Ų | 92 | 37.4 Ų | 37.4 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -89.1 | 144.6 | -175.1 | -62.9 | -65.4 | -33.7 | 0 | 0 | 112.2 | A104 K136 Q137 A142 | A104-Q139 HydrophobicContact CB-CB 3.89Å; K136-Q139 HydrophobicContact CB-CG 3.96Å; K136-Q139 WeakPolarHBondContact O-CB 3.33Å; K136-Q139 PolarHBondContact O-N 3.06Å; Q137-Q139 VanDerWaalsContact C-N 3.25Å; Q139-A142 VanDerWaalsContact O-CB 3.31Å; Q139-A142 WeakPolarHBondContact O-CB 3.22Å; Q139-A142 PolarHBondContact O-N 3.23Å |
| 140 | P | 96.8 | Very high | 98.4 | Very high | 116 Ų | 116 | 45.9 Ų | 45.9 | 75% | 0.753 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 139.7 | 171.6 | 28.1 | -34.1 | 0 | 0 | 0 | 110.6 | A142 | P140-A142 VanDerWaalsContact C-N 3.25Å; P140-A142 PolarHBondContact O-N 3.12Å |
| 141 | G | 95.5 | Very high | 98.4 | Very high | 71 Ų | 71 | 52.1 Ų | 52.1 | 73% | 0.732 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 3.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L143 | G141-L143 PolarHBondContact O-N 3.26Š|
| 142 | A | 98.4 | Very high | 98.4 | Very high | 26 Ų | 26 | 52.1 Ų | 52.1 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -60 | 124.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A103 A104 K136 Q139 P140 | A103-A142 HydrophobicContact CB-CB 4.26Å; A103-A142 WeakPolarHBondContact O-CA 3.45Å; A104-A142 HydrophobicContact CB-CB 4.38Å; K136-A142 WeakPolarHBondContact O-CB 3.29Å; Q139-A142 VanDerWaalsContact O-CB 3.31Å; Q139-A142 WeakPolarHBondContact O-CB 3.22Å; Q139-A142 PolarHBondContact O-N 3.23Å; P140-A142 VanDerWaalsContact C-N 3.25Å; P140-A142 PolarHBondContact O-N 3.12Å |
| 143 | L | 98.8 | Very high | 98.3 | Very high | 21 Ų | 21 | 52.5 Ų | 52.5 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 140.2 | 175.4 | -67 | 173 | 0 | 0 | 0 | 110.5 | A103 A106 L109 Q137 G141 E147 V148 | A103-L143 WeakPolarHBondContact CB-O 3.46Å; A103-L143 PolarHBondContact O-N 3.15Å; A106-L143 HydrophobicContact CB-CD1 3.82Å; L109-L143 HydrophobicContact CD1-CD1 3.41Å; L109-L143 VanDerWaalsContact CD1-CD1 3.41Å; Q137-L143 PolarHBondContact NE2-O 3.39Å; G141-L143 PolarHBondContact O-N 3.26Å; L143-E147 HydrophobicContact CB-CB 4.08Å; L143-E147 HydrophobicContact CD2-CB 4.22Å; L143-V148 HydrophobicContact CB-CG2 3.94Å |
| 144 | S | 98.7 | Very high | 98.3 | Very high | 46 Ų | 46 | 52.5 Ų | 52.5 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 159.2 | 174 | 66.6 | 0 | 0 | 0 | 0 | 111.6 | A146 E147 V148 | S144-A146 PolarHBondContact O-N 2.88Å; S144-A146 VanDerWaalsContact O-N 3.14Å; S144-E147 VanDerWaalsContact CB-OE2 3.31Å; S144-E147 WeakPolarHBondContact CB-OE2 3.39Å; S144-E147 PolarHBondContact N-OE2 3.48Å; S144-E147 PolarHBondContact O-N 3.26Å; S144-E147 VanDerWaalsContact OG-CG 3.32Å; S144-E147 WeakPolarHBondContact OG-CG 3.39Å; S144-E147 PolarHBondContact OG-N 3.12Å; S144-E147 PolarHBondContact OG-OE2 3.1Å; S144-V148 PolarHBondContact O-N 3.5Å |
| 145 | A | 98.6 | Very high | 98.2 | Very high | 27 Ų | 27 | 61.9 Ų | 61.9 | 22% | 0.223 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -54.1 | -35.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E149 V165 | A145-E149 WeakPolarHBondContact O-CB 3.26Å; A145-E149 PolarHBondContact O-N 3.11Å; A145-V165 HydrophobicContact CB-CG1 4.13Å; A145-V165 WeakPolarHBondContact O-CG1 3.35Å |
| 146 | A | 98.7 | Very high | 98.1 | Very high | 65 Ų | 65 | 68.1 Ų | 68.1 | 54% | 0.537 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.7 | -39 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S144 E149 K150 | S144-A146 PolarHBondContact O-N 2.88Å; S144-A146 VanDerWaalsContact O-N 3.14Å; A146-E149 WeakPolarHBondContact O-CB 3.24Å; A146-E149 PolarHBondContact O-N 3.06Å; A146-K150 PolarHBondContact O-N 2.81Å |
| 147 | E | 98.8 | Very high | 98 | Very high | 92 Ų | 92 | 66.2 Ų | 66.2 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68 | -40.3 | 175.3 | -71.9 | 165.4 | 121.7 | 0 | 0 | 111.6 | L143 S144 K150 R151 | L143-E147 HydrophobicContact CB-CB 4.08Å; L143-E147 HydrophobicContact CD2-CB 4.22Å; S144-E147 VanDerWaalsContact CB-OE2 3.31Å; S144-E147 WeakPolarHBondContact CB-OE2 3.39Å; S144-E147 PolarHBondContact N-OE2 3.48Å; S144-E147 PolarHBondContact O-N 3.26Å; S144-E147 VanDerWaalsContact OG-CG 3.32Å; S144-E147 WeakPolarHBondContact OG-CG 3.39Å; S144-E147 PolarHBondContact OG-N 3.12Å; S144-E147 PolarHBondContact OG-OE2 3.1Å; E147-K150 PolarHBondContact O-N 3.19Å; E147-R151 WeakPolarHBondContact O-CB 3.19Å; E147-R151 WeakPolarHBondContact O-CG 3.26Å; E147-R151 PolarHBondContact O-N 3.49Å |
| 148 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 172.4 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | V101 A103 V132 A134 L143 S144 K150 R151 L152 V165 | V101-V148 HydrophobicContact CG2-CG1 3.67Å; A103-V148 HydrophobicContact CB-CG2 4.22Å; V132-V148 HydrophobicContact CG1-CG1 4.16Å; A134-V148 HydrophobicContact CB-CB 4.06Å; A134-V148 HydrophobicContact CB-CG1 4.09Å; A134-V148 HydrophobicContact CB-CG2 3.81Å; L143-V148 HydrophobicContact CB-CG2 3.94Å; S144-V148 PolarHBondContact O-N 3.5Å; V148-K150 VanDerWaalsContact C-N 3.28Å; V148-K150 PolarHBondContact O-N 2.81Å; V148-R151 PolarHBondContact O-N 2.57Å; V148-L152 HydrophobicContact CG1-CD1 3.61Å; V148-L152 HydrophobicContact CG1-CG 4.12Å; V148-L152 WeakPolarHBondContact O-CB 3.49Å; V148-L152 WeakPolarHBondContact O-CG 3.45Å; V148-L152 PolarHBondContact O-N 2.93Å; V148-V165 HydrophobicContact CB-CG1 4.49Å; V148-V165 HydrophobicContact CG1-CG1 4.27Å |
| 149 | E | 98.8 | Very high | 97.2 | Very high | 46 Ų | 46 | 67.3 Ų | 67.3 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -54.4 | -46.8 | 175.6 | -170.9 | -171.4 | -167 | 0 | 0 | 111.2 | A145 A146 A153 V154 R155 V165 | A145-E149 WeakPolarHBondContact O-CB 3.26Å; A145-E149 PolarHBondContact O-N 3.11Å; A146-E149 WeakPolarHBondContact O-CB 3.24Å; A146-E149 PolarHBondContact O-N 3.06Å; E149-A153 PolarHBondContact O-N 2.99Å; E149-V154 HydrophobicContact CG-CB 3.97Å; E149-V154 HydrophobicContact CG-CG2 4.29Å; E149-V154 PolarHBondContact O-N 3.33Å; E149-V154 VanDerWaalsContact O-N 3.14Å; E149-R155 WeakPolarHBondContact OE1-CG 3.48Å; E149-R155 IonicContact OE1-CZ 3.01Å; E149-R155 IonicContact OE1-NE 2.91Å; E149-R155 PolarHBondContact OE1-NE 3.4Å; E149-R155 IonicContact OE1-NH2 3.37Å; E149-R155 PolarHBondContact OE1-NH2 2.85Å; E149-R155 IonicContact OE2-CZ 2.61Å; E149-R155 IonicContact OE2-NE 3.71Å; E149-R155 IonicContact OE2-NH2 3.82Å; E149-R155 PolarHBondContact OE2-NH2 3.45Å; E149-R155 VanDerWaalsContact OE2-NH2 3.09Å; E149-V165 HydrophobicContact CB-CB 4.33Å; E149-V165 HydrophobicContact CB-CG2 3.76Å; E149-V165 HydrophobicContact CG-CG2 3.79Å |
| 150 | K | 98.6 | Very high | 96.8 | Very high | 178 Ų | 178 | 66.7 Ų | 66.7 | 77% | 0.774 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.3 | -50 | 179 | -175.8 | -179.7 | 178.2 | -177.7 | 0 | 111.8 | A146 E147 V148 L152 A153 | A146-K150 PolarHBondContact O-N 2.81Å; E147-K150 PolarHBondContact O-N 3.19Å; V148-K150 VanDerWaalsContact C-N 3.28Å; V148-K150 PolarHBondContact O-N 2.81Å; K150-L152 PolarHBondContact O-N 2.78Å; K150-A153 PolarHBondContact O-N 2.88Å; K150-A153 VanDerWaalsContact O-N 3.11Å |
| 151 | R | 98.6 | Very high | 96.8 | Very high | 132 Ų | 132 | 61.7 Ų | 61.7 | 50% | 0.498 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.8 | -36.9 | -176.6 | -75.8 | -166.5 | -178.2 | -114.8 | 4.3 | 112.7 | L109 K113 E147 V148 A153 | L109-R151 HydrophobicContact CB-CB 4.49Å; L109-R151 HydrophobicContact CD1-CB 4.11Å; K113-R151 WeakPolarHBondContact CD-O 3.35Å; E147-R151 WeakPolarHBondContact O-CB 3.19Å; E147-R151 WeakPolarHBondContact O-CG 3.26Å; E147-R151 PolarHBondContact O-N 3.49Å; V148-R151 PolarHBondContact O-N 2.57Å; R151-A153 PolarHBondContact O-N 2.81Å |
| 152 | L | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -3.2 | 176.3 | -63.2 | -179.2 | 0 | 0 | 0 | 113.5 | V101 L109 A112 K113 L116 H117 V132 V148 K150 V154 | V101-L152 HydrophobicContact CG1-CD1 3.91Å; V101-L152 HydrophobicContact CG1-CD2 4.45Å; V101-L152 HydrophobicContact CG2-CD1 4.42Å; L109-L152 HydrophobicContact CB-CD2 4.44Å; L109-L152 HydrophobicContact CD2-CD2 4.18Å; L109-L152 WeakPolarHBondContact O-CD2 3.45Å; A112-L152 HydrophobicContact CB-CD2 3.98Å; K113-L152 HydrophobicContact CB-CD2 4.01Å; L116-L152 HydrophobicContact CD2-CB 4.15Å; L116-L152 HydrophobicContact CD2-CD1 4.23Å; H117-L152 PolarHBondContact NE2-O 3.22Å; H117-L152 VanDerWaalsContact NE2-O 3.11Å; V132-L152 HydrophobicContact CG1-CD1 3.73Å; V148-L152 HydrophobicContact CG1-CD1 3.61Å; V148-L152 HydrophobicContact CG1-CG 4.12Å; V148-L152 WeakPolarHBondContact O-CB 3.49Å; V148-L152 WeakPolarHBondContact O-CG 3.45Å; V148-L152 PolarHBondContact O-N 2.93Å; K150-L152 PolarHBondContact O-N 2.78Å; L152-V154 HydrophobicContact CB-CG2 3.73Å; L152-V154 PolarHBondContact O-N 2.98Å |
| 153 | A | 98.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 61.5 Ų | 61.5 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 46 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | H117 E149 K150 R151 R155 E156 | H117-A153 PolarHBondContact NE2-O 2.91Å; E149-A153 PolarHBondContact O-N 2.99Å; K150-A153 PolarHBondContact O-N 2.88Å; K150-A153 VanDerWaalsContact O-N 3.11Å; R151-A153 PolarHBondContact O-N 2.81Å; A153-R155 PolarHBondContact O-N 3.33Å; A153-E156 HydrophobicContact CB-CB 4.28Å; A153-E156 HydrophobicContact CB-CG 4.14Å; A153-E156 WeakPolarHBondContact O-CB 3.2Å; A153-E156 PolarHBondContact O-N 2.95Å |
| 154 | V | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -61.7 | -32.4 | -172.4 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | L116 V132 E149 L152 E156 L157 T163 V165 | L116-V154 HydrophobicContact CD2-CG2 4.44Å; V132-V154 HydrophobicContact CG2-CG2 4.18Å; E149-V154 HydrophobicContact CG-CB 3.97Å; E149-V154 HydrophobicContact CG-CG2 4.29Å; E149-V154 PolarHBondContact O-N 3.33Å; E149-V154 VanDerWaalsContact O-N 3.14Å; L152-V154 HydrophobicContact CB-CG2 3.73Å; L152-V154 PolarHBondContact O-N 2.98Å; V154-E156 PolarHBondContact O-N 2.59Å; V154-L157 HydrophobicContact CG1-CD1 4.29Å; V154-L157 WeakPolarHBondContact O-CB 3.13Å; V154-L157 VanDerWaalsContact O-CG 3.24Å; V154-L157 WeakPolarHBondContact O-CG 3.23Å; V154-L157 PolarHBondContact O-N 3.13Å; V154-T163 HydrophobicContact CG1-CG2 3.8Å; V154-V165 HydrophobicContact CB-CG2 4.44Å; V154-V165 HydrophobicContact CG1-CG2 4.25Å; V154-V165 HydrophobicContact CG2-CG2 4.05Å |
| 155 | R | 96.1 | Very high | 96.9 | Very high | 197 Ų | 197 | 61.2 Ų | 61.2 | 74% | 0.743 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -71.1 | -12.7 | 177.5 | -60.7 | -171.1 | -177 | 179.6 | 6.4 | 114 | E149 A153 | E149-R155 WeakPolarHBondContact OE1-CG 3.48Å; E149-R155 IonicContact OE1-CZ 3.01Å; E149-R155 IonicContact OE1-NE 2.91Å; E149-R155 PolarHBondContact OE1-NE 3.4Å; E149-R155 IonicContact OE1-NH2 3.37Å; E149-R155 PolarHBondContact OE1-NH2 2.85Å; E149-R155 IonicContact OE2-CZ 2.61Å; E149-R155 IonicContact OE2-NE 3.71Å; E149-R155 IonicContact OE2-NH2 3.82Å; E149-R155 PolarHBondContact OE2-NH2 3.45Å; E149-R155 VanDerWaalsContact OE2-NH2 3.09Å; A153-R155 PolarHBondContact O-N 3.33Å |
| 156 | E | 96.9 | Very high | 96.9 | Very high | 133 Ų | 133 | 62 Ų | 62 | 62% | 0.621 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -91.8 | 0.8 | 175 | -60.9 | 175.3 | -155.9 | 0 | 0 | 112.5 | A153 V154 | A153-E156 HydrophobicContact CB-CB 4.28Å; A153-E156 HydrophobicContact CB-CG 4.14Å; A153-E156 WeakPolarHBondContact O-CB 3.2Å; A153-E156 PolarHBondContact O-N 2.95Å; V154-E156 PolarHBondContact O-N 2.59Å |
| 157 | L | 95.8 | Very high | 96.9 | Very high | 11 Ų | 11 | 59.7 Ų | 59.7 | 6% | 0.058 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -62.4 | 160 | 165.7 | -62.4 | -173.9 | 0 | 0 | 0 | 110.1 | L116 S120 V130 V154 A159 T163 | L116-L157 HydrophobicContact CG-CD1 4.48Å; L116-L157 HydrophobicContact CG-CD2 4.5Å; S120-L157 VanDerWaalsContact OG-CD2 3.28Å; S120-L157 WeakPolarHBondContact OG-CD2 3.19Å; V130-L157 HydrophobicContact CG2-CD1 4.48Å; V154-L157 HydrophobicContact CG1-CD1 4.29Å; V154-L157 WeakPolarHBondContact O-CB 3.13Å; V154-L157 VanDerWaalsContact O-CG 3.24Å; V154-L157 WeakPolarHBondContact O-CG 3.23Å; V154-L157 PolarHBondContact O-N 3.13Å; L157-A159 PolarHBondContact O-N 3.5Å; L157-T163 HydrophobicContact CB-CG2 4.47Å; L157-T163 HydrophobicContact CD1-CG2 3.92Å |
| 158 | A | 91.8 | Very high | 96.9 | Very high | 36 Ų | 36 | 55.5 Ų | 55.5 | 30% | 0.298 | 30% | 0.295 | S | S | . | . | trans | -51.6 | 137.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A160 T161 | A158-A160 PolarHBondContact O-N 3.08Å; A158-T161 WeakPolarHBondContact O-CA 2.87Å; A158-T161 WeakPolarHBondContact O-CB 3.46Å; A158-T161 PolarHBondContact O-N 3.32Å | ||
| 159 | A | 88.3 | Confident | 96.9 | Very high | 115 Ų | 115 | 55.5 Ų | 55.5 | 95% | 0.95 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L157 T161 | L157-A159 PolarHBondContact O-N 3.5Å; A159-T161 VanDerWaalsContact C-N 3.33Å |
| 160 | A | 90.6 | Very high | 96.9 | Very high | 78 Ų | 78 | 53.5 Ų | 53.5 | 65% | 0.645 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -12.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A158 | A158-A160 PolarHBondContact O-N 3.08Š|
| 161 | T | 95.4 | Very high | 96.8 | Very high | 12 Ų | 12 | 48 Ų | 48 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -83.9 | 114 | -179 | -64.8 | 0 | 0 | 0 | 0 | 109.6 | V128 V130 A158 A159 T163 | V128-T161 WeakPolarHBondContact O-CG2 3.34Å; V130-T161 HydrophobicContact CB-CG2 4.35Å; V130-T161 HydrophobicContact CG2-CG2 3.71Å; A158-T161 WeakPolarHBondContact O-CA 2.87Å; A158-T161 WeakPolarHBondContact O-CB 3.46Å; A158-T161 PolarHBondContact O-N 3.32Å; A159-T161 VanDerWaalsContact C-N 3.33Å; T161-T163 HydrophobicContact CG2-CG2 3.99Å |
| 162 | L | 98.1 | Very high | 96.6 | Very high | 44 Ų | 44 | 45.2 Ų | 45.2 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | trans | -73.8 | 131.9 | 172.3 | -61.6 | 172.7 | 0 | 0 | 0 | 109.3 | P129 V130 M186 K189 | P129-L162 CarbonylContact C-O 3.39Å; P129-L162 WeakPolarHBondContact CA-O 3.44Å; P129-L162 HydrophobicContact CB-CB 4.41Å; V130-L162 PolarHBondContact N-O 3.43Å; L162-M186 VanDerWaalsContact C-SD 3.5Å; L162-M186 HydrophobicContact CB-CB 3.93Å; L162-M186 HydrophobicContact CB-CG 3.9Å; L162-M186 HydrophobicContact CB-SD 3.64Å; L162-M186 HydrophobicContact CD1-CB 3.93Å; L162-M186 HydrophobicContact CD1-CG 4.38Å; L162-M186 WeakPolarHBondContact CD1-O 3.44Å; L162-K189 HydrophobicContact CD1-CB 3.93Å; L162-K189 HydrophobicContact CD1-CD 3.88Å; L162-K189 HydrophobicContact CD1-CG 4.04Å; L162-K189 HydrophobicContact CD2-CD 4.21Å | ||
| 163 | T | 98.5 | Very high | 96.5 | Very high | 49 Ų | 49 | 46.3 Ų | 46.3 | 30% | 0.301 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 146.4 | -176.2 | 59.1 | 0 | 0 | 0 | 0 | 112.2 | V130 V154 L157 T161 M186 | V130-T163 HydrophobicContact CB-CG2 4.46Å; V130-T163 VanDerWaalsContact O-CA 3.28Å; V130-T163 WeakPolarHBondContact O-CA 3.14Å; V154-T163 HydrophobicContact CG1-CG2 3.8Å; L157-T163 HydrophobicContact CB-CG2 4.47Å; L157-T163 HydrophobicContact CD1-CG2 3.92Å; T161-T163 HydrophobicContact CG2-CG2 3.99Å; T163-M186 VanDerWaalsContact C-SD 3.56Å |
| 164 | H | 98.7 | Very high | 96.5 | Very high | 41 Ų | 41 | 51.6 Ų | 51.6 | 19% | 0.19 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 139.8 | 167 | -176.8 | 75.6 | 0 | 0 | 0 | 109.1 | V130 L131 V132 Q166 R182 M186 | V130-H164 PolarHBondContact O-N 3.48Å; V130-H164 VanDerWaalsContact O-N 3.1Å; L131-H164 WeakPolarHBondContact CA-O 3.39Å; L131-H164 HydrophobicContact CD1-CB 4.23Å; V132-H164 PolarHBondContact N-O 3Å; H164-Q166 PolarHBondContact NE2-OE1 3.37Å; H164-R182 HydrophobicContact CB-CB 4.31Å; H164-M186 HydrophobicContact CB-CE 3.9Å; H164-M186 HydrophobicContact CB-SD 4.2Å |
| 165 | V | 98.9 | Very high | 96.4 | Very high | 20 Ų | 20 | 52 Ų | 52 | 12% | 0.121 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.7 | 172.2 | -170.4 | 0 | 0 | 0 | 0 | 108.4 | V132 A134 A145 V148 E149 V154 | V132-V165 HydrophobicContact CB-CB 4.39Å; V132-V165 HydrophobicContact CB-CG1 4.11Å; V132-V165 HydrophobicContact CB-CG2 4.06Å; V132-V165 HydrophobicContact CG1-CG1 4.12Å; V132-V165 HydrophobicContact CG2-CG2 4.43Å; V132-V165 WeakPolarHBondContact O-CA 3.3Å; A134-V165 HydrophobicContact CB-CG1 4.49Å; A145-V165 HydrophobicContact CB-CG1 4.13Å; A145-V165 WeakPolarHBondContact O-CG1 3.35Å; V148-V165 HydrophobicContact CB-CG1 4.49Å; V148-V165 HydrophobicContact CG1-CG1 4.27Å; E149-V165 HydrophobicContact CB-CB 4.33Å; E149-V165 HydrophobicContact CB-CG2 3.76Å; E149-V165 HydrophobicContact CG-CG2 3.79Å; V154-V165 HydrophobicContact CB-CG2 4.44Å; V154-V165 HydrophobicContact CG1-CG2 4.25Å; V154-V165 HydrophobicContact CG2-CG2 4.05Å |
| 166 | Q | 98.8 | Very high | 96.5 | Very high | 44 Ų | 44 | 42.8 Ų | 42.8 | 21% | 0.206 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 122.7 | -177.8 | -179.2 | 61.4 | 55.3 | 0 | 0 | 109.5 | L131 V132 L133 A134 H164 G175 | L131-Q166 HydrophobicContact CD1-CB 4.19Å; V132-Q166 PolarHBondContact O-N 3.21Å; L133-Q166 WeakPolarHBondContact CA-O 3.47Å; L133-Q166 HydrophobicContact CD2-CB 3.94Å; L133-Q166 HydrophobicContact CD2-CG 4.31Å; A134-Q166 PolarHBondContact N-O 3.04Å; H164-Q166 PolarHBondContact NE2-OE1 3.37Å; Q166-G175 VanDerWaalsContact CG-O 3.22Å; Q166-G175 WeakPolarHBondContact CG-O 3.48Å |
| 167 | G | 98.8 | Very high | 96.3 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 134.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 168 | C | 98.7 | Very high | 96.3 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.02 | 28% | 0.276 | C | S | . | . | trans | -153 | 168.4 | 179.1 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | A134 N135 K136 Q137 L174 L176 | A134-C168 PolarHBondContact O-N 3.46Å; N135-C168 CarbonylContact C-O 3.57Å; N135-C168 VanDerWaalsContact CA-O 3.3Å; N135-C168 WeakPolarHBondContact CA-O 3.12Å; K136-C168 PolarHBondContact N-O 3.42Å; K136-C168 VanDerWaalsContact N-O 3.12Å; Q137-C168 WeakPolarHBondContact CG-O 3.27Å; Q137-C168 PolarHBondContact N-O 3.43Å; Q137-C168 VanDerWaalsContact N-O 3.11Å; C168-L174 WeakPolarHBondContact CA-O 3.46Å; C168-L174 WeakPolarHBondContact CB-O 3.41Å; C168-L176 HydrophobicContact CB-CD2 3.52Å; C168-L176 HydrophobicContact CB-CG 4.36Å | ||
| 169 | S | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | trans | -135.3 | 127.3 | 170.4 | 153.3 | 0 | 0 | 0 | 0 | 110 | D138 V171 D172 G173 L174 | D138-S169 WeakPolarHBondContact OD1-CB 3.46Å; D138-S169 PolarHBondContact OD1-OG 3.38Å; S169-V171 PolarHBondContact O-N 3.35Å; S169-V171 WeakPolarHBondContact OG-CB 2.97Å; S169-V171 PolarHBondContact OG-N 2.91Å; S169-V171 VanDerWaalsContact OG-N 3.08Å; S169-D172 VanDerWaalsContact CB-CG 3.49Å; S169-D172 WeakPolarHBondContact CB-OD1 3.5Å; S169-D172 WeakPolarHBondContact CB-OD2 3.42Å; S169-D172 PolarHBondContact OG-N 3.27Å; S169-D172 VanDerWaalsContact OG-N 3.08Å; S169-D172 PolarHBondContact OG-OD1 3.45Å; S169-D172 VanDerWaalsContact OG-OD1 3.05Å; S169-D172 PolarHBondContact OG-OD2 2.96Å; S169-D172 VanDerWaalsContact OG-OD2 3.07Å; S169-G173 WeakPolarHBondContact O-CA 3.26Å; S169-G173 PolarHBondContact O-N 3.49Å; S169-L174 PolarHBondContact N-O 2.96Å; S169-L174 VanDerWaalsContact N-O 3.11Å | ||
| 170 | A | 97.6 | Very high | 97 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -23.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L37 R40 F46 N135 | L37-A170 HydrophobicContact CB-CB 4.11Å; R40-A170 WeakPolarHBondContact CG-O 3.31Å; R40-A170 PolarHBondContact NE-O 3.38Å; F46-A170 WeakPolarHBondContact CD2-O 3.47Å; N135-A170 PolarHBondContact OD1-N 3.38Å |
| 171 | V | 97 | Very high | 97.2 | Very high | 64 Ų | 64 | 36.3 Ų | 36.3 | 39% | 0.388 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -38.2 | -177.4 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | R40 F46 S169 | R40-V171 PolarHBondContact NH2-O 3Å; F46-V171 HydrophobicContact CD2-CG2 4.19Å; F46-V171 HydrophobicContact CE2-CG2 3.93Å; F46-V171 HydrophobicContact CZ-CG2 4.21Å; S169-V171 PolarHBondContact O-N 3.35Å; S169-V171 WeakPolarHBondContact OG-CB 2.97Å; S169-V171 PolarHBondContact OG-N 2.91Å; S169-V171 VanDerWaalsContact OG-N 3.08Å |
| 172 | D | 95.1 | Very high | 97.3 | Very high | 73 Ų | 73 | 41.1 Ų | 41.1 | 39% | 0.39 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -16.1 | -179.7 | 54.4 | 38.1 | 0 | 0 | 0 | 113 | S169 L174 | S169-D172 VanDerWaalsContact CB-CG 3.49Å; S169-D172 WeakPolarHBondContact CB-OD1 3.5Å; S169-D172 WeakPolarHBondContact CB-OD2 3.42Å; S169-D172 PolarHBondContact OG-N 3.27Å; S169-D172 VanDerWaalsContact OG-N 3.08Å; S169-D172 PolarHBondContact OG-OD1 3.45Å; S169-D172 VanDerWaalsContact OG-OD1 3.05Å; S169-D172 PolarHBondContact OG-OD2 2.96Å; S169-D172 VanDerWaalsContact OG-OD2 3.07Å; D172-L174 VanDerWaalsContact C-N 3.32Å; D172-L174 HydrophobicContact CB-CD1 4.47Å; D172-L174 HydrophobicContact CB-CG 4.25Å; D172-L174 WeakPolarHBondContact OD1-CB 3.4Å; D172-L174 VanDerWaalsContact OD1-CG 3.26Å; D172-L174 WeakPolarHBondContact OD1-CG 3.36Å; D172-L174 PolarHBondContact OD1-N 3.34Å |
| 173 | G | 96.6 | Very high | 97.3 | Very high | 23 Ų | 23 | 39 Ų | 39 | 24% | 0.237 | 21% | 0.206 | C | C | . | . | trans | 83.2 | 1.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | S169 L176 | S169-G173 WeakPolarHBondContact O-CA 3.26Å; S169-G173 PolarHBondContact O-N 3.49Å; G173-L176 WeakPolarHBondContact O-CG 3.29Å; G173-L176 PolarHBondContact O-N 3.33Å | ||
| 174 | L | 97.6 | Very high | 97.1 | Very high | 120 Ų | 120 | 39.2 Ų | 39.2 | 63% | 0.628 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 140.8 | 178.7 | -64.2 | 176.1 | 0 | 0 | 0 | 110.8 | C168 S169 D172 L176 | C168-L174 WeakPolarHBondContact CA-O 3.46Å; C168-L174 WeakPolarHBondContact CB-O 3.41Å; S169-L174 PolarHBondContact N-O 2.96Å; S169-L174 VanDerWaalsContact N-O 3.11Å; D172-L174 VanDerWaalsContact C-N 3.32Å; D172-L174 HydrophobicContact CB-CD1 4.47Å; D172-L174 HydrophobicContact CB-CG 4.25Å; D172-L174 WeakPolarHBondContact OD1-CB 3.4Å; D172-L174 VanDerWaalsContact OD1-CG 3.26Å; D172-L174 WeakPolarHBondContact OD1-CG 3.36Å; D172-L174 PolarHBondContact OD1-N 3.34Å; L174-L176 PolarHBondContact O-N 2.96Å; L174-L176 VanDerWaalsContact O-N 3.1Å |
| 175 | G | 97.6 | Very high | 97 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 8% | 0.082 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | -16.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q166 Q178 G179 | Q166-G175 VanDerWaalsContact CG-O 3.22Å; Q166-G175 WeakPolarHBondContact CG-O 3.48Å; G175-Q178 PolarHBondContact O-OE1 3.46Å; G175-G179 PolarHBondContact O-N 2.71Å |
| 176 | L | 96.5 | Very high | 96.9 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.8 | -48 | -174.2 | -59.7 | -173.4 | 0 | 0 | 0 | 112.6 | L37 R40 L41 C168 G173 L174 G179 L180 | L37-L176 HydrophobicContact CD1-CD2 3.3Å; L37-L176 HydrophobicContact CD2-CD2 3.78Å; L37-L176 HydrophobicContact CG-CD1 4.01Å; L37-L176 HydrophobicContact CG-CD2 3.34Å; L37-L176 HydrophobicContact CG-CG 4.32Å; R40-L176 HydrophobicContact CB-CD1 4.02Å; R40-L176 HydrophobicContact CG-CD1 3.54Å; L41-L176 HydrophobicContact CD2-CB 3.75Å; L41-L176 HydrophobicContact CD2-CD1 4.49Å; L41-L176 HydrophobicContact CG-CB 4.18Å; L41-L176 HydrophobicContact CG-CD1 4.13Å; C168-L176 HydrophobicContact CB-CD2 3.52Å; C168-L176 HydrophobicContact CB-CG 4.36Å; G173-L176 WeakPolarHBondContact O-CG 3.29Å; G173-L176 PolarHBondContact O-N 3.33Å; L174-L176 PolarHBondContact O-N 2.96Å; L174-L176 VanDerWaalsContact O-N 3.1Å; L176-G179 PolarHBondContact O-N 3.2Å; L176-L180 WeakPolarHBondContact O-CG 3.3Å; L176-L180 PolarHBondContact O-N 3.18Å; L176-L180 VanDerWaalsContact O-N 3.12Å |
| 177 | Q | 94.6 | Very high | 96.8 | Very high | 76 Ų | 76 | 39.9 Ų | 39.9 | 36% | 0.355 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65 | -44.9 | 179.6 | -179.9 | 172.7 | -22.3 | 0 | 0 | 110.9 | G179 L180 E181 | Q177-G179 VanDerWaalsContact C-N 3.31Å; Q177-G179 PolarHBondContact O-N 2.98Å; Q177-L180 PolarHBondContact O-N 2.94Å; Q177-L180 VanDerWaalsContact O-N 3.16Å; Q177-E181 HydrophobicContact CG-CG 4.38Å; Q177-E181 WeakPolarHBondContact CG-OE1 3.47Å; Q177-E181 PolarHBondContact NE2-OE1 2.81Å; Q177-E181 WeakPolarHBondContact O-CG 3.31Å; Q177-E181 PolarHBondContact O-N 3.16Å |
| 178 | Q | 95.9 | Very high | 96.6 | Very high | 96 Ų | 96 | 42.9 Ų | 42.9 | 45% | 0.449 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.5 | -44.5 | 178 | -63.7 | 81.9 | -0.2 | 0 | 0 | 110.8 | G175 L180 E181 R182 | G175-Q178 PolarHBondContact O-OE1 3.46Å; Q178-L180 PolarHBondContact O-N 3.39Å; Q178-E181 PolarHBondContact O-N 3.25Å; Q178-R182 VanDerWaalsContact O-CG 3.26Å; Q178-R182 WeakPolarHBondContact O-CG 3.29Å; Q178-R182 PolarHBondContact O-N 2.99Å |
| 179 | G | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59 | -45.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L131 G175 L176 Q177 R182 L183 | L131-G179 VanDerWaalsContact CD2-C 3.48Å; L131-G179 VanDerWaalsContact CD2-O 3.29Å; L131-G179 WeakPolarHBondContact CD2-O 3.41Å; G175-G179 PolarHBondContact O-N 2.71Å; L176-G179 PolarHBondContact O-N 3.2Å; Q177-G179 VanDerWaalsContact C-N 3.31Å; Q177-G179 PolarHBondContact O-N 2.98Å; G179-R182 PolarHBondContact O-N 2.92Å; G179-L183 PolarHBondContact O-N 3.23Å |
| 180 | L | 96.1 | Very high | 96.2 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.8 | -36.6 | 178.7 | -73.9 | -164.8 | 0 | 0 | 0 | 113.6 | L41 I60 V62 F72 L131 L176 Q177 Q178 L183 Y184 | L41-L180 HydrophobicContact CD1-CD1 3.74Å; L41-L180 HydrophobicContact CD1-CG 4.38Å; L41-L180 HydrophobicContact CD2-CD1 3.62Å; L41-L180 HydrophobicContact CD2-CG 4.41Å; L41-L180 HydrophobicContact CG-CD1 4.29Å; I60-L180 HydrophobicContact CG2-CD1 4.43Å; V62-L180 HydrophobicContact CG1-CB 4.32Å; V62-L180 HydrophobicContact CG2-CB 4.12Å; V62-L180 HydrophobicContact CG2-CD1 3.56Å; F72-L180 HydrophobicContact CD2-CD1 4.07Å; F72-L180 HydrophobicContact CD2-CD2 4.19Å; F72-L180 HydrophobicContact CE2-CB 3.88Å; F72-L180 HydrophobicContact CE2-CD1 4.04Å; F72-L180 HydrophobicContact CE2-CD2 3.86Å; F72-L180 HydrophobicContact CE2-CG 4.13Å; L131-L180 HydrophobicContact CD2-CD2 4.38Å; L176-L180 WeakPolarHBondContact O-CG 3.3Å; L176-L180 PolarHBondContact O-N 3.18Å; L176-L180 VanDerWaalsContact O-N 3.12Å; Q177-L180 PolarHBondContact O-N 2.94Å; Q177-L180 VanDerWaalsContact O-N 3.16Å; Q178-L180 PolarHBondContact O-N 3.39Å; L180-L183 PolarHBondContact O-N 2.9Å; L180-Y184 PolarHBondContact O-N 2.93Å |
| 181 | E | 95 | Very high | 96 | Very high | 54 Ų | 54 | 56.5 Ų | 56.5 | 25% | 0.252 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 173 | -72.2 | 170.6 | -179.5 | 0 | 0 | 110.7 | V62 L64 Q177 Q178 L183 Y184 E185 | V62-E181 HydrophobicContact CG1-CG 4.29Å; L64-E181 HydrophobicContact CD2-CG 3.96Å; Q177-E181 HydrophobicContact CG-CG 4.38Å; Q177-E181 WeakPolarHBondContact CG-OE1 3.47Å; Q177-E181 PolarHBondContact NE2-OE1 2.81Å; Q177-E181 WeakPolarHBondContact O-CG 3.31Å; Q177-E181 PolarHBondContact O-N 3.16Å; Q178-E181 PolarHBondContact O-N 3.25Å; E181-L183 PolarHBondContact O-N 2.79Å; E181-Y184 WeakPolarHBondContact O-CB 3.23Å; E181-Y184 PolarHBondContact O-N 3.21Å; E181-E185 WeakPolarHBondContact O-CG 3.18Å; E181-E185 PolarHBondContact O-N 3.38Å |
| 182 | R | 97.3 | Very high | 95.7 | Very high | 114 Ų | 114 | 61.4 Ų | 61.4 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 175.7 | -60.8 | -64.5 | -84 | 179.5 | -18.6 | 112.2 | H164 Q178 G179 Y184 E185 M186 | H164-R182 HydrophobicContact CB-CB 4.31Å; Q178-R182 VanDerWaalsContact O-CG 3.26Å; Q178-R182 WeakPolarHBondContact O-CG 3.29Å; Q178-R182 PolarHBondContact O-N 2.99Å; G179-R182 PolarHBondContact O-N 2.92Å; R182-Y184 VanDerWaalsContact C-N 3.33Å; R182-Y184 PolarHBondContact O-N 2.8Å; R182-E185 WeakPolarHBondContact CD-OE2 3.28Å; R182-E185 IonicContact CZ-OE2 3.73Å; R182-E185 IonicContact NE-OE2 3.71Å; R182-E185 IonicContact NH1-OE2 2.86Å; R182-E185 PolarHBondContact NH1-OE2 3.08Å; R182-E185 PolarHBondContact O-N 3.41Å; R182-M186 WeakPolarHBondContact O-CG 3.39Å; R182-M186 PolarHBondContact O-N 2.93Å |
| 183 | L | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 173.9 | -179.4 | 61.8 | 0 | 0 | 0 | 111.2 | V24 V98 P129 L131 G179 L180 E181 E185 M186 I187 | V24-L183 HydrophobicContact CG1-CD2 3.92Å; V24-L183 HydrophobicContact CG2-CD2 4.14Å; V98-L183 HydrophobicContact CG2-CD2 3.66Å; P129-L183 HydrophobicContact CB-CD1 4.23Å; L131-L183 HydrophobicContact CB-CB 4.2Å; L131-L183 HydrophobicContact CB-CD1 4.1Å; L131-L183 HydrophobicContact CD2-CB 4.16Å; G179-L183 PolarHBondContact O-N 3.23Å; L180-L183 PolarHBondContact O-N 2.9Å; E181-L183 PolarHBondContact O-N 2.79Å; L183-E185 PolarHBondContact O-N 3.34Å; L183-M186 HydrophobicContact CD1-CE 4.22Å; L183-M186 PolarHBondContact O-N 3.45Å; L183-I187 HydrophobicContact CD1-CD1 4.24Å; L183-I187 HydrophobicContact CD1-CG1 4.38Å; L183-I187 HydrophobicContact CG-CD1 3.9Å; L183-I187 HydrophobicContact CG-CG1 4.46Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.38Å; L183-I187 PolarHBondContact O-N 2.8Å |
| 184 | Y | 95.7 | Very high | 94.9 | Very high | 52 Ų | 52 | 63.3 Ų | 63.3 | 20% | 0.204 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.8 | -47.7 | 177.5 | 175.2 | -114.7 | 0 | 0 | 0 | 112.3 | L22 L64 I70 L180 E181 R182 M186 I187 L188 | L22-Y184 HydrophobicContact CD1-CD2 3.63Å; L22-Y184 HydrophobicContact CD1-CE2 3.9Å; L64-Y184 HydrophobicContact CD1-CD1 3.67Å; L64-Y184 HydrophobicContact CD1-CE1 3.3Å; L64-Y184 HydrophobicContact CD1-CG 4.44Å; L64-Y184 HydrophobicContact CD2-CD1 4.1Å; L64-Y184 HydrophobicContact CD2-CE1 4.48Å; I70-Y184 HydrophobicContact CB-CD2 4.34Å; I70-Y184 HydrophobicContact CB-CE2 4.16Å; I70-Y184 HydrophobicContact CD1-CE2 4.13Å; I70-Y184 HydrophobicContact CG1-CD2 3.95Å; I70-Y184 HydrophobicContact CG1-CE2 3.79Å; I70-Y184 HydrophobicContact CG2-CD2 4.15Å; I70-Y184 HydrophobicContact CG2-CE2 4.44Å; I70-Y184 HydrophobicContact CG2-CG 4.34Å; L180-Y184 PolarHBondContact O-N 2.93Å; E181-Y184 WeakPolarHBondContact O-CB 3.23Å; E181-Y184 PolarHBondContact O-N 3.21Å; R182-Y184 VanDerWaalsContact C-N 3.33Å; R182-Y184 PolarHBondContact O-N 2.8Å; Y184-M186 VanDerWaalsContact C-N 3.32Å; Y184-M186 PolarHBondContact O-N 2.99Å; Y184-I187 WeakPolarHBondContact O-CB 3.35Å; Y184-I187 PolarHBondContact O-N 3.22Å; Y184-L188 HydrophobicContact CD1-CD1 4.2Å; Y184-L188 HydrophobicContact CD2-CG 4.32Å; Y184-L188 HydrophobicContact CE1-CD1 3.53Å; Y184-L188 HydrophobicContact CE1-CG 4.17Å; Y184-L188 HydrophobicContact CE2-CD1 4.09Å; Y184-L188 HydrophobicContact CE2-CD2 3.89Å; Y184-L188 HydrophobicContact CE2-CG 3.9Å; Y184-L188 VanDerWaalsContact CZ-CD1 3.49Å; Y184-L188 WeakPolarHBondContact O-CG 3.34Å; Y184-L188 PolarHBondContact O-N 3.14Å |
| 185 | E | 95.3 | Very high | 94.1 | Very high | 98 Ų | 98 | 64.5 Ų | 64.5 | 46% | 0.458 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.1 | -45.9 | 176.4 | -71.1 | 173.4 | 176.3 | 0 | 0 | 111.9 | E181 R182 L183 L188 K189 | E181-E185 WeakPolarHBondContact O-CG 3.18Å; E181-E185 PolarHBondContact O-N 3.38Å; R182-E185 WeakPolarHBondContact CD-OE2 3.28Å; R182-E185 IonicContact CZ-OE2 3.73Å; R182-E185 IonicContact NE-OE2 3.71Å; R182-E185 IonicContact NH1-OE2 2.86Å; R182-E185 PolarHBondContact NH1-OE2 3.08Å; R182-E185 PolarHBondContact O-N 3.41Å; L183-E185 PolarHBondContact O-N 3.34Å; E185-L188 PolarHBondContact O-N 3.35Å; E185-K189 WeakPolarHBondContact O-CB 3.23Å; E185-K189 PolarHBondContact O-N 3.02Å |
| 186 | M | 97.6 | Very high | 92.9 | Very high | 20 Ų | 20 | 65.9 Ų | 65.9 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 178.2 | -65.5 | -170.7 | -65.6 | 0 | 0 | 112.2 | P129 L162 T163 H164 R182 L183 Y184 K189 R190 | P129-M186 HydrophobicContact CB-CB 3.7Å; P129-M186 HydrophobicContact CB-CE 4.32Å; P129-M186 HydrophobicContact CG-CB 4.17Å; L162-M186 VanDerWaalsContact C-SD 3.5Å; L162-M186 HydrophobicContact CB-CB 3.93Å; L162-M186 HydrophobicContact CB-CG 3.9Å; L162-M186 HydrophobicContact CB-SD 3.64Å; L162-M186 HydrophobicContact CD1-CB 3.93Å; L162-M186 HydrophobicContact CD1-CG 4.38Å; L162-M186 WeakPolarHBondContact CD1-O 3.44Å; T163-M186 VanDerWaalsContact C-SD 3.56Å; H164-M186 HydrophobicContact CB-CE 3.9Å; H164-M186 HydrophobicContact CB-SD 4.2Å; R182-M186 WeakPolarHBondContact O-CG 3.39Å; R182-M186 PolarHBondContact O-N 2.93Å; L183-M186 HydrophobicContact CD1-CE 4.22Å; L183-M186 PolarHBondContact O-N 3.45Å; Y184-M186 VanDerWaalsContact C-N 3.32Å; Y184-M186 PolarHBondContact O-N 2.99Å; M186-K189 PolarHBondContact O-N 3.27Å; M186-R190 PolarHBondContact O-N 3.25Å |
| 187 | I | 96.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 174.8 | -68.1 | 169.6 | 0 | 0 | 0 | 110.7 | L22 V24 D95 P129 L183 Y184 K189 R190 K191 | L22-I187 HydrophobicContact CD1-CD1 4.28Å; L22-I187 HydrophobicContact CD1-CG2 4.14Å; L22-I187 HydrophobicContact CD2-CG2 4.14Å; V24-I187 HydrophobicContact CG2-CD1 4.46Å; D95-I187 HydrophobicContact CB-CD1 4.1Å; D95-I187 HydrophobicContact CB-CG1 4.49Å; D95-I187 HydrophobicContact CB-CG2 4.1Å; D95-I187 WeakPolarHBondContact O-CG1 3.39Å; P129-I187 HydrophobicContact CG-CG1 4.16Å; L183-I187 HydrophobicContact CD1-CD1 4.24Å; L183-I187 HydrophobicContact CD1-CG1 4.38Å; L183-I187 HydrophobicContact CG-CD1 3.9Å; L183-I187 HydrophobicContact CG-CG1 4.46Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.38Å; L183-I187 PolarHBondContact O-N 2.8Å; Y184-I187 WeakPolarHBondContact O-CB 3.35Å; Y184-I187 PolarHBondContact O-N 3.22Å; I187-K189 PolarHBondContact O-N 2.74Å; I187-R190 PolarHBondContact O-N 2.86Å; I187-K191 HydrophobicContact CG2-CD 4.14Å; I187-K191 HydrophobicContact CG2-CG 4.5Å; I187-K191 WeakPolarHBondContact O-CG 3.44Å; I187-K191 PolarHBondContact O-N 2.88Å |
| 188 | L | 94.1 | Very high | 90.1 | Very high | 79 Ų | 79 | 72.2 Ų | 72.2 | 41% | 0.414 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 177.8 | -69.3 | -172.5 | 0 | 0 | 0 | 111.9 | Y184 E185 R190 K191 K192 | Y184-L188 HydrophobicContact CD1-CD1 4.2Å; Y184-L188 HydrophobicContact CD2-CG 4.32Å; Y184-L188 HydrophobicContact CE1-CD1 3.53Å; Y184-L188 HydrophobicContact CE1-CG 4.17Å; Y184-L188 HydrophobicContact CE2-CD1 4.09Å; Y184-L188 HydrophobicContact CE2-CD2 3.89Å; Y184-L188 HydrophobicContact CE2-CG 3.9Å; Y184-L188 VanDerWaalsContact CZ-CD1 3.49Å; Y184-L188 WeakPolarHBondContact O-CG 3.34Å; Y184-L188 PolarHBondContact O-N 3.14Å; E185-L188 PolarHBondContact O-N 3.35Å; L188-R190 VanDerWaalsContact C-N 3.34Å; L188-R190 PolarHBondContact O-N 3.42Å; L188-K191 PolarHBondContact O-N 3.25Å; L188-K192 WeakPolarHBondContact O-CB 3.41Å; L188-K192 PolarHBondContact O-N 2.85Å |
| 189 | K | 95.3 | Very high | 88.2 | Confident | 140 Ų | 140 | 76.6 Ų | 76.6 | 61% | 0.609 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -58.5 | -46.1 | 178 | -174.3 | 175.3 | 177.9 | -177.4 | 0 | 111.1 | L162 E185 M186 I187 K192 A193 | L162-K189 HydrophobicContact CD1-CB 3.93Å; L162-K189 HydrophobicContact CD1-CD 3.88Å; L162-K189 HydrophobicContact CD1-CG 4.04Å; L162-K189 HydrophobicContact CD2-CD 4.21Å; E185-K189 WeakPolarHBondContact O-CB 3.23Å; E185-K189 PolarHBondContact O-N 3.02Å; M186-K189 PolarHBondContact O-N 3.27Å; I187-K189 PolarHBondContact O-N 2.74Å; K189-K192 PolarHBondContact O-N 2.8Å; K189-A193 PolarHBondContact O-N 2.9Å |
| 190 | R | 94.4 | Very high | 86.1 | Confident | 80 Ų | 80 | 87.5 Ų | 87.5 | 30% | 0.302 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61 | -48.7 | 175.1 | -178.4 | -175 | -176.6 | -157.5 | 10.7 | 112.1 | Q126 G127 P129 M186 I187 L188 K192 A193 A194 | Q126-R190 PolarHBondContact O-NH2 2.93Å; G127-R190 WeakPolarHBondContact O-CD 3.34Å; G127-R190 PolarHBondContact O-NE 2.8Å; P129-R190 HydrophobicContact CG-CB 4.35Å; M186-R190 PolarHBondContact O-N 3.25Å; I187-R190 PolarHBondContact O-N 2.86Å; L188-R190 VanDerWaalsContact C-N 3.34Å; L188-R190 PolarHBondContact O-N 3.42Å; R190-K192 VanDerWaalsContact C-N 3.28Å; R190-K192 PolarHBondContact O-N 2.89Å; R190-A193 PolarHBondContact O-N 3.15Å; R190-A194 PolarHBondContact O-N 3.32Å |
| 191 | K | 91.9 | Very high | 83.8 | Confident | 73 Ų | 73 | 100.5 Ų | 100.5 | 32% | 0.317 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.4 | -37.6 | 179.4 | -74.4 | -175.2 | 177.8 | -173.1 | 0 | 111.9 | D95 I187 L188 R195 | D95-K191 WeakPolarHBondContact OD1-CE 3.46Å; D95-K191 IonicContact OD1-NZ 3.77Å; D95-K191 PolarHBondContact OD1-NZ 3.11Å; D95-K191 IonicContact OD2-NZ 3.63Å; I187-K191 HydrophobicContact CG2-CD 4.14Å; I187-K191 HydrophobicContact CG2-CG 4.5Å; I187-K191 WeakPolarHBondContact O-CG 3.44Å; I187-K191 PolarHBondContact O-N 2.88Å; L188-K191 PolarHBondContact O-N 3.25Å; K191-R195 WeakPolarHBondContact O-CG 3.26Å; K191-R195 PolarHBondContact O-N 2.66Å |
| 192 | K | 91.6 | Very high | 83.2 | Confident | 167 Ų | 167 | 102.8 Ų | 102.8 | 73% | 0.726 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.8 | -46.1 | 175.1 | -171.5 | 177.5 | 179.2 | -179.4 | 0 | 111.8 | L188 K189 R190 A194 R195 G196 | L188-K192 WeakPolarHBondContact O-CB 3.41Å; L188-K192 PolarHBondContact O-N 2.85Å; K189-K192 PolarHBondContact O-N 2.8Å; R190-K192 VanDerWaalsContact C-N 3.28Å; R190-K192 PolarHBondContact O-N 2.89Å; K192-A194 PolarHBondContact O-N 3.21Å; K192-R195 PolarHBondContact O-N 2.85Å; K192-G196 PolarHBondContact O-N 3.15Å |
| 193 | A | 89.5 | Confident | 82.5 | Confident | 72 Ų | 72 | 102.2 Ų | 102.2 | 60% | 0.595 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.7 | -43.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | K189 R190 R195 G196 G197 | K189-A193 PolarHBondContact O-N 2.9Å; R190-A193 PolarHBondContact O-N 3.15Å; A193-R195 VanDerWaalsContact C-N 3.31Å; A193-R195 PolarHBondContact O-N 2.82Å; A193-G196 PolarHBondContact O-N 3.19Å; A193-G197 PolarHBondContact O-N 2.65Å; A193-G197 VanDerWaalsContact O-N 3.08Å |
| 194 | A | 85.4 | Confident | 81.6 | Confident | 63 Ų | 63 | 107.9 Ų | 107.9 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -34 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | R190 K192 | R190-A194 PolarHBondContact O-N 3.32Å; K192-A194 PolarHBondContact O-N 3.21Å |
| 195 | R | 81.6 | Confident | 80.8 | Confident | 145 Ų | 145 | 111.2 Ų | 111.2 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73.8 | -38.3 | 175.1 | -70.9 | 174.8 | -178.7 | -177.5 | 0.8 | 112.3 | K191 K192 A193 K198 K199 | K191-R195 WeakPolarHBondContact O-CG 3.26Å; K191-R195 PolarHBondContact O-N 2.66Å; K192-R195 PolarHBondContact O-N 2.85Å; A193-R195 VanDerWaalsContact C-N 3.31Å; A193-R195 PolarHBondContact O-N 2.82Å; R195-K198 PolarHBondContact O-N 3.34Å; R195-K199 PolarHBondContact O-N 2.99Å |
| 196 | G | 71.8 | Confident | 79.9 | Confident | 37 Ų | 37 | 112 Ų | 112 | 38% | 0.381 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.6 | -37.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K192 A193 K198 K199 | K192-G196 PolarHBondContact O-N 3.15Å; A193-G196 PolarHBondContact O-N 3.19Å; G196-K198 VanDerWaalsContact C-N 3.35Å; G196-K198 PolarHBondContact O-N 3.01Å; G196-K199 PolarHBondContact O-N 3.27Å |
| 197 | G | 69.2 | Low | 78.7 | Confident | 40 Ų | 40 | 118.1 Ų | 118.1 | 41% | 0.412 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.4 | -30.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A193 | A193-G197 PolarHBondContact O-N 2.65Å; A193-G197 VanDerWaalsContact O-N 3.08Å |
| 198 | K | 61.8 | Low | 77.4 | Confident | 175 Ų | 175 | 126.4 Ų | 126.4 | 76% | 0.761 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -75.8 | -21.4 | 177 | -77.7 | -174.8 | 176.2 | -174.2 | 0 | 114.4 | R195 G196 | R195-K198 PolarHBondContact O-N 3.34Å; G196-K198 VanDerWaalsContact C-N 3.35Å; G196-K198 PolarHBondContact O-N 3.01Å |
| 199 | K | 56.8 | Low | 76.2 | Confident | 188 Ų | 188 | 130.1 Ų | 130.1 | 82% | 0.817 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -11.9 | 177.5 | -76.9 | -170.3 | 173.6 | -169 | 0 | 113.8 | R195 G196 | R195-K199 PolarHBondContact O-N 2.99Å; G196-K199 PolarHBondContact O-N 3.27Å |
| 200 | R | 54.5 | Low | 74.6 | Confident | 228 Ų | 228 | 129.3 Ų | 129.3 | 86% | 0.86 | 61% | 0.609 | S | S | * | * | trans | -106 | 3.5 | -176.9 | -66.1 | -179.7 | 70.4 | 175.2 | 2.7 | 113.2 | ||||
| 201 | R | 46.5 | Very low | 72.8 | Confident | 283 Ų | 283 | 133.7 Ų | 133.7 | 100% | 1.068 | 64% | 0.637 | S | S | * | * | trans | -117.1 | 0 | 172.4 | -62 | -179 | 95.3 | 177.8 | 8.3 | 107.5 |
Retrieved 201 of 201 residues in 42.3 ms
(Link to these results)