| 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 | 38.9 | Very low | 46 | Very low | 250 Ų | 250 | 134.3 Ų | 134.3 | 100% | 1.232 | 82% | 0.816 | S | S | * | * | 0 | 103.8 | 0 | -81.3 | 172.3 | 163.1 | 0 | 0 | 106.8 | |||||
| 2 | E | 34.5 | Very low | 49.6 | Very low | 199 Ų | 199 | 130.8 Ų | 130.8 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | trans | -67.1 | 126.2 | -172.7 | -112.6 | 155.3 | 149.3 | 0 | 0 | 111.3 | S4 | E2-S4 PolarHBondContact O-N 2.95Š| ||
| 3 | S | 39.8 | Very low | 53.1 | Low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | -76.3 | 105.5 | 167.2 | 48.7 | 0 | 0 | 0 | 0 | 108.7 | R5 | S3-R5 PolarHBondContact O-N 3.31Š| ||
| 4 | S | 42.7 | Very low | 56.3 | Low | 118 Ų | 118 | 117.7 Ų | 117.7 | 83% | 0.825 | 69% | 0.692 | S | S | * | * | trans | -63.1 | 101.1 | 169.2 | 51.4 | 0 | 0 | 0 | 0 | 109.3 | E2 G6 | E2-S4 PolarHBondContact O-N 2.95Å; S4-G6 VanDerWaalsContact C-N 3.34Å; S4-G6 PolarHBondContact O-N 3.31Å | ||
| 5 | R | 45.2 | Very low | 59 | Low | 241 Ų | 241 | 115.9 Ų | 115.9 | 91% | 0.909 | 67% | 0.672 | S | S | * | * | trans | -60 | 96.4 | 161.9 | -72.3 | 178 | 174.8 | -177.5 | -2 | 108 | S3 S7 | S3-R5 PolarHBondContact O-N 3.31Å; R5-S7 PolarHBondContact O-N 3.21Å | ||
| 6 | G | 38.8 | Very low | 61.5 | Low | 73 Ų | 73 | 108.7 Ų | 108.7 | 75% | 0.753 | 63% | 0.63 | S | S | * | * | trans | -63.1 | 115.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108 | S4 G8 | S4-G6 VanDerWaalsContact C-N 3.34Å; S4-G6 PolarHBondContact O-N 3.31Å; G6-G8 VanDerWaalsContact C-N 3.33Å; G6-G8 PolarHBondContact O-N 3.45Å | ||
| 7 | S | 41.8 | Very low | 63.6 | Low | 118 Ų | 118 | 102.6 Ų | 102.6 | 83% | 0.825 | 60% | 0.595 | S | S | * | * | trans | -59.1 | 98.9 | 166.1 | 52.2 | 0 | 0 | 0 | 0 | 107.8 | R5 G9 | R5-S7 PolarHBondContact O-N 3.21Å; S7-G9 PolarHBondContact O-N 2.96Å | ||
| 8 | G | 41.1 | Very low | 65.5 | Low | 77 Ų | 77 | 96.9 Ų | 96.9 | 79% | 0.794 | 56% | 0.562 | S | S | * | * | trans | -65.7 | 80.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | G6 L10 | G6-G8 VanDerWaalsContact C-N 3.33Å; G6-G8 PolarHBondContact O-N 3.45Å; G8-L10 PolarHBondContact O-N 2.99Å | ||
| 9 | G | 50.3 | Low | 67.1 | Low | 66 Ų | 66 | 91.8 Ų | 91.8 | 68% | 0.68 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 122 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | S7 S11 | S7-G9 PolarHBondContact O-N 2.96Å; G9-S11 PolarHBondContact O-N 3.31Å |
| 10 | L | 58.3 | Low | 68.5 | Low | 179 Ų | 179 | 87.2 Ų | 87.2 | 94% | 0.937 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -50.3 | 116.6 | 173.2 | -72.7 | 154 | 0 | 0 | 0 | 107.8 | G8 R12 | G8-L10 PolarHBondContact O-N 2.99Å; L10-R12 PolarHBondContact O-N 3.18Å |
| 11 | S | 74.7 | Confident | 69.7 | Low | 47 Ų | 47 | 85.6 Ų | 85.6 | 33% | 0.329 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 130.9 | 179.6 | 51.8 | 0 | 0 | 0 | 0 | 109.4 | G9 E13 N62 | G9-S11 PolarHBondContact O-N 3.31Å; S11-E13 PolarHBondContact O-N 3.16Å; S11-N62 PolarHBondContact O-ND2 2.68Å; S11-N62 PolarHBondContact OG-ND2 2.67Å; S11-N62 PolarHBondContact OG-OD1 3.25Å |
| 12 | R | 88.9 | Confident | 72.2 | Confident | 93 Ų | 93 | 75.4 Ų | 75.4 | 35% | 0.351 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 122.7 | -176.7 | 178.1 | 62.1 | 170.7 | 117.3 | -3.3 | 110.5 | L10 Y14 N62 E86 E178 | L10-R12 PolarHBondContact O-N 3.18Å; R12-Y14 HydrophobicContact CB-CE2 4.12Å; R12-Y14 HydrophobicContact CG-CD1 4.44Å; R12-Y14 HydrophobicContact CG-CD2 4.34Å; R12-Y14 HydrophobicContact CG-CE1 3.88Å; R12-Y14 HydrophobicContact CG-CE2 3.77Å; R12-N62 PolarHBondContact O-N 3.49Å; R12-N62 VanDerWaalsContact O-N 3.1Å; R12-E86 IonicContact CZ-OE1 2.7Å; R12-E86 IonicContact CZ-OE2 3.5Å; R12-E86 IonicContact NH1-OE1 2.88Å; R12-E86 PolarHBondContact NH1-OE1 3.41Å; R12-E86 IonicContact NH1-OE2 2.7Å; R12-E86 PolarHBondContact NH1-OE2 3.5Å; R12-E86 IonicContact NH2-OE1 2.65Å; R12-E86 PolarHBondContact NH2-OE1 2.98Å; R12-E86 IonicContact NH2-OE2 3.38Å; R12-E178 IonicContact CZ-OE1 3.62Å; R12-E178 IonicContact NE-OE1 3.59Å; R12-E178 PolarHBondContact NE-OE1 3.36Å; R12-E178 IonicContact NH2-OE1 2.74Å; R12-E178 PolarHBondContact NH2-OE1 2.96Å |
| 13 | E | 95.1 | Very high | 75 | Confident | 68 Ų | 68 | 68 Ų | 68 | 32% | 0.318 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 137.7 | 169.9 | -175.2 | 174 | 45.6 | 0 | 0 | 109.9 | S11 K51 N62 D64 | S11-E13 PolarHBondContact O-N 3.16Å; E13-K51 IonicContact OE2-NZ 3.02Å; E13-K51 PolarHBondContact OE2-NZ 3.15Å; E13-N62 CarbonylContact C-O 3.35Å; E13-N62 VanDerWaalsContact CA-O 3.23Å; E13-N62 WeakPolarHBondContact CA-O 3.46Å; E13-N62 HydrophobicContact CB-CB 4.3Å; E13-D64 HydrophobicContact CG-CB 3.95Å |
| 14 | Y | 97.6 | Very high | 77.6 | Confident | 10 Ų | 10 | 62.9 Ų | 62.9 | 4% | 0.039 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 120.1 | 178.8 | -64.2 | -85.7 | 0 | 0 | 0 | 109.2 | R12 L16 A61 N62 L63 D64 E86 V171 I174 R175 | R12-Y14 HydrophobicContact CB-CE2 4.12Å; R12-Y14 HydrophobicContact CG-CD1 4.44Å; R12-Y14 HydrophobicContact CG-CD2 4.34Å; R12-Y14 HydrophobicContact CG-CE1 3.88Å; R12-Y14 HydrophobicContact CG-CE2 3.77Å; Y14-L16 PolarHBondContact O-N 3.45Å; Y14-A61 HydrophobicContact CD2-CB 3.82Å; Y14-A61 HydrophobicContact CE2-CB 3.65Å; Y14-N62 PolarHBondContact N-O 3.18Å; Y14-L63 HydrophobicContact CD2-CD2 4.09Å; Y14-L63 HydrophobicContact CG-CD2 4.36Å; Y14-D64 PolarHBondContact O-N 3.24Å; Y14-E86 WeakPolarHBondContact CA-OE2 3.38Å; Y14-V171 HydrophobicContact CD1-CG1 4.37Å; Y14-V171 HydrophobicContact CD2-CG1 4.28Å; Y14-V171 HydrophobicContact CE1-CG1 4.18Å; Y14-V171 HydrophobicContact CE2-CG1 4.08Å; Y14-V171 HydrophobicContact CG-CG1 4.42Å; Y14-V171 HydrophobicContact CG-CG2 4.46Å; Y14-I174 HydrophobicContact CD1-CB 4.3Å; Y14-I174 HydrophobicContact CD1-CD1 4.29Å; Y14-I174 HydrophobicContact CD1-CG2 3.86Å; Y14-I174 HydrophobicContact CE1-CB 4.49Å; Y14-I174 HydrophobicContact CE1-CG2 4.03Å; Y14-R175 HydrophobicContact CE1-CG 4.04Å; Y14-R175 WeakPolarHBondContact OH-CG 3.38Å; Y14-R175 PolarHBondContact OH-NE 2.88Å |
| 15 | K | 97.9 | Very high | 80.2 | Confident | 90 Ų | 90 | 58 Ų | 58 | 39% | 0.391 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 103.2 | -178.4 | -62.8 | -179.3 | -178.9 | -177.7 | 0 | 110.7 | D64 E86 G87 | K15-D64 CarbonylContact C-O 3.57Å; K15-D64 WeakPolarHBondContact CA-O 3.44Å; K15-D64 HydrophobicContact CG-CB 4.37Å; K15-E86 HydrophobicContact CB-CG 4.17Å; K15-E86 PolarHBondContact N-OE2 2.83Å; K15-E86 PolarHBondContact O-N 3.41Å; K15-G87 PolarHBondContact O-N 3.41Å |
| 16 | L | 98.3 | Very high | 82.6 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 142 | -178.9 | -48.2 | -173.3 | 0 | 0 | 0 | 109.6 | Y14 L63 D64 I65 L66 G87 F167 L170 V171 I174 | Y14-L16 PolarHBondContact O-N 3.45Å; L16-L63 HydrophobicContact CD1-CD1 4.13Å; L16-L63 HydrophobicContact CD1-CD2 4.18Å; L16-D64 PolarHBondContact N-O 2.7Å; L16-I65 HydrophobicContact CB-CG1 4.32Å; L16-I65 HydrophobicContact CD1-CG1 4.39Å; L16-I65 WeakPolarHBondContact O-CA 3.45Å; L16-L66 PolarHBondContact O-N 3.29Å; L16-G87 WeakPolarHBondContact CA-O 3.31Å; L16-F167 HydrophobicContact CD1-CD1 3.88Å; L16-L170 HydrophobicContact CB-CD2 4.41Å; L16-L170 HydrophobicContact CD1-CD2 4.37Å; L16-L170 HydrophobicContact CD2-CD2 3.82Å; L16-L170 HydrophobicContact CD2-CG 4.13Å; L16-L170 HydrophobicContact CG-CD2 4.42Å; L16-V171 HydrophobicContact CD1-CG2 4.41Å; L16-I174 HydrophobicContact CD2-CD1 3.59Å |
| 17 | V | 97.7 | Very high | 85.3 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128.2 | 177.3 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | L19 L66 T68 Y81 G87 F88 I89 | V17-L19 HydrophobicContact CG1-CD2 3.92Å; V17-L19 HydrophobicContact CG1-CG 4.09Å; V17-L66 HydrophobicContact CG1-CB 4.46Å; V17-L66 HydrophobicContact CG1-CD2 4.28Å; V17-L66 HydrophobicContact CG2-CB 4.32Å; V17-L66 HydrophobicContact CG2-CD2 4.46Å; V17-T68 HydrophobicContact CG1-CG2 3.9Å; V17-Y81 HydrophobicContact CG1-CD2 4.02Å; V17-Y81 HydrophobicContact CG1-CG 4.41Å; V17-G87 PolarHBondContact N-O 2.96Å; V17-F88 HydrophobicContact CB-CD1 3.69Å; V17-F88 HydrophobicContact CB-CE1 3.84Å; V17-F88 HydrophobicContact CG1-CD1 4.2Å; V17-F88 HydrophobicContact CG1-CE1 4.29Å; V17-F88 HydrophobicContact CG2-CD1 4.33Å; V17-F88 HydrophobicContact CG2-CE1 4Å; V17-F88 WeakPolarHBondContact O-CA 3.08Å; V17-I89 PolarHBondContact O-N 3.41Å |
| 18 | M | 97.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 120.5 | 177.1 | -67.7 | -76.8 | -61.1 | 0 | 0 | 109.6 | K26 I29 I30 I65 L66 T68 I89 F167 | M18-K26 HydrophobicContact CB-CB 4.42Å; M18-K26 HydrophobicContact CE-CB 4.31Å; M18-I29 HydrophobicContact CE-CB 4.02Å; M18-I29 HydrophobicContact CE-CD1 4.31Å; M18-I29 HydrophobicContact CE-CG2 3.83Å; M18-I30 HydrophobicContact CB-CD1 4.04Å; M18-I30 HydrophobicContact CE-CG1 4.08Å; M18-I30 HydrophobicContact CG-CD1 3.58Å; M18-I30 HydrophobicContact CG-CG1 3.74Å; M18-I30 HydrophobicContact SD-CG1 4.26Å; M18-I65 HydrophobicContact CG-CG2 4.03Å; M18-L66 PolarHBondContact N-O 2.95Å; M18-T68 PolarHBondContact O-OG1 3.36Å; M18-I89 HydrophobicContact CE-CB 4.43Å; M18-I89 HydrophobicContact CE-CG2 4.08Å; M18-I89 HydrophobicContact SD-CB 3.44Å; M18-I89 WeakPolarHBondContact SD-CB 3.33Å; M18-I89 HydrophobicContact SD-CD1 3.38Å; M18-I89 WeakPolarHBondContact SD-CD1 3.4Å; M18-I89 HydrophobicContact SD-CG1 3.89Å; M18-I89 HydrophobicContact SD-CG2 3.7Å; M18-F167 HydrophobicContact SD-CE1 4.36Å; M18-F167 HydrophobicContact SD-CZ 4.23Å |
| 19 | L | 96 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 159 | -178.1 | -61.8 | 174.6 | 0 | 0 | 0 | 111 | V17 K26 T68 Y81 M82 F88 I89 S91 F106 I110 | V17-L19 HydrophobicContact CG1-CD2 3.92Å; V17-L19 HydrophobicContact CG1-CG 4.09Å; L19-K26 VanDerWaalsContact C-CD 3.45Å; L19-T68 HydrophobicContact CD2-CG2 4.03Å; L19-Y81 HydrophobicContact CD2-CD2 4.34Å; L19-Y81 HydrophobicContact CD2-CE2 3.68Å; L19-M82 HydrophobicContact CD1-CE 4.2Å; L19-F88 HydrophobicContact CD1-CD1 3.64Å; L19-F88 HydrophobicContact CD1-CE1 4.37Å; L19-F88 HydrophobicContact CD1-CG 4.42Å; L19-F88 HydrophobicContact CG-CD1 4.38Å; L19-I89 PolarHBondContact N-O 3.42Å; L19-S91 PolarHBondContact O-N 3.08Å; L19-F106 HydrophobicContact CB-CD1 4.13Å; L19-F106 HydrophobicContact CB-CE1 4.49Å; L19-F106 HydrophobicContact CB-CG 4.23Å; L19-F106 HydrophobicContact CD1-CD1 4.29Å; L19-F106 HydrophobicContact CD2-CD1 4.41Å; L19-F106 HydrophobicContact CD2-CE1 4.44Å; L19-I110 HydrophobicContact CD1-CD1 3.82Å; L19-I110 HydrophobicContact CD1-CG1 4.18Å |
| 20 | G | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | 142.2 | 159 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K26 G70 S91 F106 | G20-K26 PolarHBondContact O-NZ 3.42Å; G20-G70 WeakPolarHBondContact O-CA 3.43Å; G20-S91 VanDerWaalsContact CA-O 3.23Å; G20-S91 WeakPolarHBondContact CA-O 3.38Å; G20-F106 VanDerWaalsContact CA-CE2 3.48Å | ||
| 21 | E | 93.8 | Very high | 94.6 | Very high | 53 Ų | 53 | 26.9 Ų | 26.9 | 25% | 0.248 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -55.9 | 160.7 | 179.9 | -171 | 174.1 | -167.6 | 0 | 0 | 112.3 | V24 K26 G70 S99 E102 | E21-V24 HydrophobicContact CB-CG1 3.88Å; E21-V24 WeakPolarHBondContact O-CG1 3.31Å; E21-V24 VanDerWaalsContact O-CG2 3.23Å; E21-V24 WeakPolarHBondContact O-CG2 3.42Å; E21-K26 PolarHBondContact O-NZ 2.86Å; E21-G70 CarbonylContact C-O 3.53Å; E21-S99 WeakPolarHBondContact OE2-CA 3.41Å; E21-S99 VanDerWaalsContact OE2-CB 3.26Å; E21-S99 WeakPolarHBondContact OE2-CB 3.37Å; E21-S99 PolarHBondContact OE2-N 2.94Å; E21-E102 HydrophobicContact CB-CB 4.27Å; E21-E102 HydrophobicContact CB-CG 4.35Å; E21-E102 HydrophobicContact CG-CG 4.46Å |
| 22 | G | 91.6 | Very high | 95.6 | Very high | 37 Ų | 37 | 25.1 Ų | 25.1 | 38% | 0.381 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 139.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V24 G70 | G22-V24 VanDerWaalsContact C-N 3.26Å; G22-V24 PolarHBondContact O-N 3.46Å; G22-G70 PolarHBondContact N-O 3.47Å |
| 23 | G | 92.3 | Very high | 96 | Very high | 43 Ų | 43 | 21.2 Ų | 21.2 | 44% | 0.443 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 2.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | G25 K127 | G23-G25 PolarHBondContact O-N 3.42Å; G23-K127 WeakPolarHBondContact O-CE 3.45Å; G23-K127 PolarHBondContact O-NZ 3.12Å |
| 24 | V | 96 | Very high | 96 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -70.6 | -15.5 | 175 | -57 | 0 | 0 | 0 | 0 | 113.4 | E21 G22 K26 N126 | E21-V24 HydrophobicContact CB-CG1 3.88Å; E21-V24 WeakPolarHBondContact O-CG1 3.31Å; E21-V24 VanDerWaalsContact O-CG2 3.23Å; E21-V24 WeakPolarHBondContact O-CG2 3.42Å; G22-V24 VanDerWaalsContact C-N 3.26Å; G22-V24 PolarHBondContact O-N 3.46Å; V24-K26 HydrophobicContact CG2-CD 4.44Å; V24-K26 HydrophobicContact CG2-CG 3.68Å; V24-N126 PolarHBondContact O-ND2 2.74Å |
| 25 | G | 95.6 | Very high | 95.7 | Very high | 14 Ų | 14 | 21.9 Ų | 21.9 | 14% | 0.144 | 14% | 0.136 | C | C | . | . | trans | 97.6 | 29.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | G23 A28 I29 | G23-G25 PolarHBondContact O-N 3.42Å; G25-A28 PolarHBondContact O-N 3.31Å; G25-I29 WeakPolarHBondContact O-CG1 3.49Å; G25-I29 PolarHBondContact O-N 3.19Å | ||
| 26 | K | 96.2 | Very high | 95.5 | Very high | 11 Ų | 11 | 23.8 Ų | 23.8 | 5% | 0.048 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -54.2 | -55.4 | 176.1 | -58.9 | -172.1 | -60.9 | -73.3 | 0 | 112 | M18 L19 G20 E21 V24 A28 I29 I30 D67 T68 | M18-K26 HydrophobicContact CB-CB 4.42Å; M18-K26 HydrophobicContact CE-CB 4.31Å; L19-K26 VanDerWaalsContact C-CD 3.45Å; G20-K26 PolarHBondContact O-NZ 3.42Å; E21-K26 PolarHBondContact O-NZ 2.86Å; V24-K26 HydrophobicContact CG2-CD 4.44Å; V24-K26 HydrophobicContact CG2-CG 3.68Å; K26-A28 VanDerWaalsContact C-N 3.29Å; K26-A28 PolarHBondContact O-N 3.11Å; K26-I29 WeakPolarHBondContact O-CB 3.46Å; K26-I29 PolarHBondContact O-N 3.36Å; K26-I29 VanDerWaalsContact O-N 3.1Å; K26-I30 WeakPolarHBondContact O-CG1 3.5Å; K26-I30 PolarHBondContact O-N 2.9Å; K26-D67 WeakPolarHBondContact CB-OD1 3.16Å; K26-T68 WeakPolarHBondContact CE-O 3.34Å; K26-T68 PolarHBondContact NZ-O 2.96Å |
| 27 | S | 95.4 | Very high | 95.1 | Very high | 16 Ų | 16 | 32.7 Ų | 32.7 | 11% | 0.112 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.7 | -40 | 177.6 | -34.1 | 0 | 0 | 0 | 0 | 111.8 | I29 I30 M31 T45 D67 | S27-I29 PolarHBondContact O-N 2.8Å; S27-I30 PolarHBondContact O-N 2.77Å; S27-M31 VanDerWaalsContact O-CB 3.29Å; S27-M31 WeakPolarHBondContact O-CB 3.4Å; S27-M31 VanDerWaalsContact O-CG 3.25Å; S27-M31 WeakPolarHBondContact O-CG 3.34Å; S27-M31 PolarHBondContact O-N 2.82Å; S27-T45 PolarHBondContact OG-OG1 3.14Å; S27-D67 VanDerWaalsContact CA-OD2 3.31Å; S27-D67 WeakPolarHBondContact CA-OD2 3.39Å; S27-D67 WeakPolarHBondContact CB-OD2 3.41Å; S27-D67 PolarHBondContact OG-OD2 3.04Å |
| 28 | A | 96.4 | Very high | 94.7 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 10% | 0.099 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -38.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G25 K26 Q32 F38 P39 A157 | G25-A28 PolarHBondContact O-N 3.31Å; K26-A28 VanDerWaalsContact C-N 3.29Å; K26-A28 PolarHBondContact O-N 3.11Å; A28-Q32 WeakPolarHBondContact O-CB 3.27Å; A28-Q32 PolarHBondContact O-N 3.42Å; A28-F38 HydrophobicContact CB-CD2 4.31Å; A28-F38 HydrophobicContact CB-CE2 3.94Å; A28-P39 HydrophobicContact CB-CG 4.23Å; A28-A157 HydrophobicContact CB-CB 3.77Å |
| 29 | I | 98.1 | Very high | 94 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 174 | -70.2 | 164.2 | 0 | 0 | 0 | 110.5 | M18 G25 K26 S27 Q32 F33 V124 N126 A157 I163 F167 | M18-I29 HydrophobicContact CE-CB 4.02Å; M18-I29 HydrophobicContact CE-CD1 4.31Å; M18-I29 HydrophobicContact CE-CG2 3.83Å; G25-I29 WeakPolarHBondContact O-CG1 3.49Å; G25-I29 PolarHBondContact O-N 3.19Å; K26-I29 WeakPolarHBondContact O-CB 3.46Å; K26-I29 PolarHBondContact O-N 3.36Å; K26-I29 VanDerWaalsContact O-N 3.1Å; S27-I29 PolarHBondContact O-N 2.8Å; I29-Q32 PolarHBondContact O-N 3.1Å; I29-F33 WeakPolarHBondContact O-CB 3.3Å; I29-F33 PolarHBondContact O-N 2.82Å; I29-V124 HydrophobicContact CD1-CG1 4.06Å; I29-N126 HydrophobicContact CD1-CB 4.06Å; I29-A157 HydrophobicContact CG1-CB 4.15Å; I29-I163 HydrophobicContact CB-CD1 4.38Å; I29-I163 HydrophobicContact CG1-CD1 4.09Å; I29-I163 HydrophobicContact CG2-CD1 4.07Å; I29-F167 HydrophobicContact CG2-CE2 3.87Å; I29-F167 HydrophobicContact CG2-CZ 4.11Å |
| 30 | I | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.7 | -48.6 | -179.4 | -59.9 | 164.9 | 0 | 0 | 0 | 110.7 | M18 K26 S27 Q32 F33 I34 Y50 I65 D67 | M18-I30 HydrophobicContact CB-CD1 4.04Å; M18-I30 HydrophobicContact CE-CG1 4.08Å; M18-I30 HydrophobicContact CG-CD1 3.58Å; M18-I30 HydrophobicContact CG-CG1 3.74Å; M18-I30 HydrophobicContact SD-CG1 4.26Å; K26-I30 WeakPolarHBondContact O-CG1 3.5Å; K26-I30 PolarHBondContact O-N 2.9Å; S27-I30 PolarHBondContact O-N 2.77Å; I30-Q32 VanDerWaalsContact C-N 3.33Å; I30-Q32 PolarHBondContact O-N 2.78Å; I30-F33 WeakPolarHBondContact O-CB 3.27Å; I30-F33 PolarHBondContact O-N 3.43Å; I30-I34 HydrophobicContact CG2-CD1 3.64Å; I30-I34 HydrophobicContact CG2-CG1 4.33Å; I30-I34 WeakPolarHBondContact O-CG1 3.17Å; I30-I34 PolarHBondContact O-N 3.08Å; I30-Y50 HydrophobicContact CG2-CD2 3.67Å; I30-Y50 HydrophobicContact CG2-CE2 4Å; I30-Y50 HydrophobicContact CG2-CG 3.97Å; I30-I65 HydrophobicContact CD1-CG2 4.11Å; I30-I65 HydrophobicContact CG1-CG2 4.14Å; I30-I65 HydrophobicContact CG2-CG2 4.29Å; I30-D67 HydrophobicContact CD1-CB 3.39Å; I30-D67 VanDerWaalsContact CD1-CG 3.42Å |
| 31 | M | 95.1 | Very high | 92 | Very high | 61 Ų | 61 | 55.1 Ų | 55.1 | 30% | 0.3 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 179.3 | -72.5 | -58.2 | -65.3 | 0 | 0 | 111.4 | S27 F33 I34 S35 R37 Y50 | S27-M31 VanDerWaalsContact O-CB 3.29Å; S27-M31 WeakPolarHBondContact O-CB 3.4Å; S27-M31 VanDerWaalsContact O-CG 3.25Å; S27-M31 WeakPolarHBondContact O-CG 3.34Å; S27-M31 PolarHBondContact O-N 2.82Å; M31-F33 VanDerWaalsContact C-N 3.35Å; M31-I34 PolarHBondContact O-N 3.05Å; M31-S35 WeakPolarHBondContact O-CA 3.14Å; M31-S35 WeakPolarHBondContact O-CB 3.45Å; M31-S35 PolarHBondContact O-N 2.99Å; M31-S35 PolarHBondContact O-OG 3.43Å; M31-R37 CarbonylContact C-O 3.51Å; M31-Y50 HydrophobicContact SD-CE1 3.78Å |
| 32 | Q | 96.8 | Very high | 90.8 | Very high | 11 Ų | 11 | 58.1 Ų | 58.1 | 5% | 0.051 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 173.9 | -179.1 | 61.6 | -79.2 | 0 | 0 | 110 | A28 I29 I30 I34 H36 R37 A157 R160 I163 | A28-Q32 WeakPolarHBondContact O-CB 3.27Å; A28-Q32 PolarHBondContact O-N 3.42Å; I29-Q32 PolarHBondContact O-N 3.1Å; I30-Q32 VanDerWaalsContact C-N 3.33Å; I30-Q32 PolarHBondContact O-N 2.78Å; Q32-I34 PolarHBondContact O-N 3.35Å; Q32-H36 VanDerWaalsContact O-CA 3.31Å; Q32-H36 WeakPolarHBondContact O-CA 3.37Å; Q32-H36 PolarHBondContact O-N 3.01Å; Q32-H36 VanDerWaalsContact OE1-CA 3.27Å; Q32-R37 WeakPolarHBondContact CA-O 3.38Å; Q32-R37 PolarHBondContact N-O 3.05Å; Q32-A157 WeakPolarHBondContact CG-O 3.34Å; Q32-A157 PolarHBondContact NE2-O 3.03Å; Q32-R160 HydrophobicContact CG-CB 4.08Å; Q32-R160 HydrophobicContact CG-CG 3.78Å; Q32-R160 PolarHBondContact O-NH1 3.42Å; Q32-I163 HydrophobicContact CG-CG1 4.02Å; Q32-I163 HydrophobicContact CG-CG2 4.38Å |
| 33 | F | 97.1 | Very high | 90 | Very high | 11 Ų | 11 | 63.1 Ų | 63.1 | 5% | 0.048 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.2 | -49.1 | 177.5 | 174.3 | -114.9 | 0 | 0 | 0 | 113 | I29 I30 M31 T52 I54 L63 I65 I163 D164 F167 | I29-F33 WeakPolarHBondContact O-CB 3.3Å; I29-F33 PolarHBondContact O-N 2.82Å; I30-F33 WeakPolarHBondContact O-CB 3.27Å; I30-F33 PolarHBondContact O-N 3.43Å; M31-F33 VanDerWaalsContact C-N 3.35Å; F33-T52 HydrophobicContact CE1-CG2 3.74Å; F33-T52 HydrophobicContact CZ-CG2 4.44Å; F33-I54 HydrophobicContact CE2-CD1 4.2Å; F33-I54 HydrophobicContact CZ-CD1 3.75Å; F33-I54 HydrophobicContact CZ-CG1 4.46Å; F33-I54 HydrophobicContact CZ-CG2 3.92Å; F33-L63 HydrophobicContact CE1-CD1 3.68Å; F33-L63 HydrophobicContact CZ-CD1 3.64Å; F33-I65 HydrophobicContact CD1-CD1 4Å; F33-I65 HydrophobicContact CE1-CD1 3.84Å; F33-I163 HydrophobicContact CB-CG2 3.61Å; F33-I163 HydrophobicContact CD2-CG2 4.37Å; F33-I163 HydrophobicContact CG-CG2 4.45Å; F33-D164 WeakPolarHBondContact CD2-OD1 3.37Å; F33-F167 HydrophobicContact CB-CD2 3.95Å; F33-F167 HydrophobicContact CB-CE2 3.48Å; F33-F167 VanDerWaalsContact CB-CE2 3.48Å; F33-F167 HydrophobicContact CB-CZ 4.08Å; F33-F167 HydrophobicContact CD1-CD1 4.14Å; F33-F167 AromaticContact CD1-CD2 3.85Å; F33-F167 HydrophobicContact CD1-CD2 3.85Å; F33-F167 HydrophobicContact CD1-CE1 4.09Å; F33-F167 AromaticContact CD1-CE2 3.82Å; F33-F167 HydrophobicContact CD1-CE2 3.82Å; F33-F167 HydrophobicContact CD1-CG 4.04Å; F33-F167 AromaticContact CD1-CZ 3.94Å; F33-F167 HydrophobicContact CD1-CZ 3.94Å; F33-F167 HydrophobicContact CD2-CB 4.38Å; F33-F167 AromaticContact CD2-CD2 3.44Å; F33-F167 HydrophobicContact CD2-CD2 3.44Å; F33-F167 VanDerWaalsContact CD2-CD2 3.44Å; F33-F167 AromaticContact CD2-CE2 3.93Å; F33-F167 HydrophobicContact CD2-CE2 3.93Å; F33-F167 HydrophobicContact CD2-CG 4.01Å; F33-F167 HydrophobicContact CE1-CB 4.42Å; F33-F167 HydrophobicContact CE1-CD1 4.04Å; F33-F167 HydrophobicContact CE1-CD2 4.2Å; F33-F167 HydrophobicContact CE1-CE1 4.37Å; F33-F167 AromaticContact CE1-CG 3.96Å; F33-F167 HydrophobicContact CE1-CG 3.96Å; F33-F167 HydrophobicContact CE2-CB 3.86Å; F33-F167 AromaticContact CE2-CD2 3.82Å; F33-F167 HydrophobicContact CE2-CD2 3.82Å; F33-F167 AromaticContact CE2-CG 3.91Å; F33-F167 HydrophobicContact CE2-CG 3.91Å; F33-F167 AromaticContact CG-CD2 3.46Å; F33-F167 HydrophobicContact CG-CD2 3.46Å; F33-F167 VanDerWaalsContact CG-CD2 3.46Å; F33-F167 AromaticContact CG-CE2 3.46Å; F33-F167 HydrophobicContact CG-CE2 3.46Å; F33-F167 VanDerWaalsContact CG-CE2 3.46Å; F33-F167 HydrophobicContact CG-CG 4.07Å; F33-F167 HydrophobicContact CG-CZ 4.04Å; F33-F167 HydrophobicContact CZ-CB 3.89Å; F33-F167 HydrophobicContact CZ-CD1 4.35Å; F33-F167 HydrophobicContact CZ-CD2 4.18Å; F33-F167 AromaticContact CZ-CG 3.88Å; F33-F167 HydrophobicContact CZ-CG 3.88Å |
| 34 | I | 94.9 | Very high | 89.3 | Confident | 50 Ų | 50 | 66.1 Ų | 66.1 | 26% | 0.256 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -80.5 | -42 | -172.6 | -63.1 | 177.5 | 0 | 0 | 0 | 112.7 | I30 M31 Q32 Y50 T52 I65 | I30-I34 HydrophobicContact CG2-CD1 3.64Å; I30-I34 HydrophobicContact CG2-CG1 4.33Å; I30-I34 WeakPolarHBondContact O-CG1 3.17Å; I30-I34 PolarHBondContact O-N 3.08Å; M31-I34 PolarHBondContact O-N 3.05Å; Q32-I34 PolarHBondContact O-N 3.35Å; I34-Y50 HydrophobicContact CD1-CD1 3.97Å; I34-Y50 HydrophobicContact CD1-CG 3.8Å; I34-T52 HydrophobicContact CG1-CG2 4.2Å; I34-I65 HydrophobicContact CD1-CD1 4.38Å |
| 35 | S | 91.8 | Very high | 88.5 | Confident | 41 Ų | 41 | 67.2 Ų | 67.2 | 29% | 0.287 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -110.8 | -4.6 | -167.5 | 73.2 | 0 | 0 | 0 | 0 | 114.3 | M31 R37 | M31-S35 WeakPolarHBondContact O-CA 3.14Å; M31-S35 WeakPolarHBondContact O-CB 3.45Å; M31-S35 PolarHBondContact O-N 2.99Å; M31-S35 PolarHBondContact O-OG 3.43Å; S35-R37 PolarHBondContact O-N 3.27Å |
| 36 | H | 93.5 | Very high | 87.4 | Confident | 130 Ų | 130 | 73.4 Ų | 73.4 | 60% | 0.602 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 55.5 | 30.9 | -173.2 | -58.6 | -96.3 | 0 | 0 | 0 | 113.3 | Q32 R160 | Q32-H36 VanDerWaalsContact O-CA 3.31Å; Q32-H36 WeakPolarHBondContact O-CA 3.37Å; Q32-H36 PolarHBondContact O-N 3.01Å; Q32-H36 VanDerWaalsContact OE1-CA 3.27Å; H36-R160 PolarHBondContact CE1-NH2 3.39Å; H36-R160 PolarHBondContact ND1-NH1 2.96Å; H36-R160 PolarHBondContact ND1-NH2 3.35Å |
| 37 | R | 90 | Very high | 86.6 | Confident | 188 Ų | 188 | 77.4 Ų | 77.4 | 71% | 0.709 | 39% | 0.389 | S | S | * | . | trans | -131.4 | 140.5 | 180 | -65.9 | 178.3 | -175 | -165.6 | 0.1 | 110.7 | M31 Q32 S35 | M31-R37 CarbonylContact C-O 3.51Å; Q32-R37 WeakPolarHBondContact CA-O 3.38Å; Q32-R37 PolarHBondContact N-O 3.05Å; S35-R37 PolarHBondContact O-N 3.27Å | ||
| 38 | F | 89.6 | Confident | 86.2 | Confident | 105 Ų | 105 | 80.3 Ų | 80.3 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | trans | -89.5 | 126.8 | 164.8 | -176.2 | -106.3 | 0 | 0 | 0 | 108.2 | A28 A157 A158 | A28-F38 HydrophobicContact CB-CD2 4.31Å; A28-F38 HydrophobicContact CB-CE2 3.94Å; F38-A157 HydrophobicContact CD2-CB 4.09Å; F38-A157 HydrophobicContact CE2-CB 4.08Å; F38-A158 HydrophobicContact CD2-CB 4.23Å; F38-A158 HydrophobicContact CE2-CB 4.19Å; F38-A158 HydrophobicContact CG-CB 4.45Å; F38-A158 HydrophobicContact CZ-CB 4.38Å | ||
| 39 | P | 81.7 | Confident | 86 | Confident | 43 Ų | 43 | 83.2 Ų | 83.2 | 28% | 0.279 | 43% | 0.427 | S | S | . | . | trans | -67 | 134 | -178.3 | 26.1 | -32.4 | 0 | 0 | 0 | 111.1 | A28 | A28-P39 HydrophobicContact CB-CG 4.23Š| ||
| 40 | E | 74.1 | Confident | 85.8 | Confident | 190 Ų | 190 | 85.7 Ų | 85.7 | 89% | 0.888 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -75.1 | -36.8 | 177.7 | -66.7 | -177.6 | -178.9 | 0 | 0 | 111.6 | ||
| 41 | D | 74.8 | Confident | 85.8 | Confident | 139 Ų | 139 | 92.2 Ų | 92.2 | 74% | 0.743 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -112.6 | 144.9 | 176.9 | -64.3 | -48.9 | 0 | 0 | 0 | 110.9 | ||
| 42 | H | 70.1 | Confident | 85.8 | Confident | 116 Ų | 116 | 91 Ų | 91 | 54% | 0.537 | 46% | 0.461 | S | S | . | . | trans | -117.3 | 103 | 176.4 | -175.1 | 48.9 | 0 | 0 | 0 | 111.3 | ||||
| 43 | D | 73.2 | Confident | 85.7 | Confident | 142 Ų | 142 | 96.6 Ų | 96.6 | 76% | 0.759 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 130.9 | 162 | -74.5 | -35.7 | 0 | 0 | 0 | 109.5 | T45 | D43-T45 PolarHBondContact O-N 3.48Š|
| 44 | P | 78.5 | Confident | 85.5 | Confident | 106 Ų | 106 | 98 Ų | 98 | 69% | 0.688 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 121.1 | 174.8 | -24.9 | 34.2 | 0 | 0 | 0 | 111.8 | ||
| 45 | T | 78 | Confident | 85.4 | Confident | 24 Ų | 24 | 103 Ų | 103 | 15% | 0.147 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 137.7 | 176.9 | -49.9 | 0 | 0 | 0 | 0 | 111.6 | S27 D43 D67 A69 | S27-T45 PolarHBondContact OG-OG1 3.14Å; D43-T45 PolarHBondContact O-N 3.48Å; T45-D67 HydrophobicContact CG2-CB 4.34Å; T45-D67 PolarHBondContact OG1-OD2 3.44Å; T45-A69 WeakPolarHBondContact O-CB 3.41Å |
| 46 | I | 74.4 | Confident | 85.5 | Confident | 144 Ų | 144 | 101.3 Ų | 101.3 | 74% | 0.738 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -93.8 | -65.7 | 165.6 | -60.5 | 175.6 | 0 | 0 | 0 | 108.5 | A69 | I46-A69 VanDerWaalsContact O-CB 3.25Å; I46-A69 WeakPolarHBondContact O-CB 3.23Å; I46-A69 PolarHBondContact O-N 3.38Å |
| 47 | E | 77.8 | Confident | 85.4 | Confident | 96 Ų | 96 | 99.4 Ų | 99.4 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 127.9 | 169.5 | -175.2 | 179.4 | 95 | 0 | 0 | 107.1 | L66 D67 | E47-L66 HydrophobicContact CG-CD1 3.6Å; E47-L66 HydrophobicContact CG-CG 4.36Å; E47-D67 WeakPolarHBondContact CA-O 3.42Å |
| 48 | D | 88.3 | Confident | 85.4 | Confident | 76 Ų | 76 | 96.4 Ų | 96.4 | 41% | 0.406 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 142.7 | 177.8 | -74.9 | -52.7 | 0 | 0 | 0 | 110.6 | Y50 D67 | D48-Y50 HydrophobicContact CB-CD2 4.42Å; D48-Y50 HydrophobicContact CB-CE2 3.58Å; D48-D67 HydrophobicContact CB-CB 4.3Å; D48-D67 PolarHBondContact N-O 3.34Å; D48-D67 PolarHBondContact O-N 3.37Å |
| 49 | A | 91.4 | Very high | 85.5 | Confident | 73 Ų | 73 | 96.6 Ų | 96.6 | 60% | 0.603 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.3 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | I65 | A49-I65 WeakPolarHBondContact CA-O 3.46Å |
| 50 | Y | 94.5 | Very high | 86.1 | Confident | 53 Ų | 53 | 97.3 Ų | 97.3 | 21% | 0.208 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136.7 | -178.1 | -57.9 | -92 | 0 | 0 | 0 | 111 | I30 M31 I34 D48 I65 D67 | I30-Y50 HydrophobicContact CG2-CD2 3.67Å; I30-Y50 HydrophobicContact CG2-CE2 4Å; I30-Y50 HydrophobicContact CG2-CG 3.97Å; M31-Y50 HydrophobicContact SD-CE1 3.78Å; I34-Y50 HydrophobicContact CD1-CD1 3.97Å; I34-Y50 HydrophobicContact CD1-CG 3.8Å; D48-Y50 HydrophobicContact CB-CD2 4.42Å; D48-Y50 HydrophobicContact CB-CE2 3.58Å; Y50-I65 PolarHBondContact N-O 3.39Å; Y50-I65 PolarHBondContact O-N 2.79Å; Y50-D67 HydrophobicContact CE2-CB 3.98Å |
| 51 | K | 95.9 | Very high | 87.1 | Confident | 137 Ų | 137 | 88.3 Ų | 88.3 | 60% | 0.596 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.9 | 173.9 | -61.4 | -166.4 | -180 | -133 | 0 | 110.9 | E13 L63 D64 | E13-K51 IonicContact OE2-NZ 3.02Å; E13-K51 PolarHBondContact OE2-NZ 3.15Å; K51-L63 VanDerWaalsContact CA-O 3.29Å; K51-L63 WeakPolarHBondContact CA-O 3.39Å; K51-D64 WeakPolarHBondContact CE-OD2 3.44Å; K51-D64 IonicContact NZ-OD1 2.78Å; K51-D64 IonicContact NZ-OD2 3.4Å; K51-D64 PolarHBondContact NZ-OD2 3.24Å |
| 52 | T | 95.4 | Very high | 88.1 | Confident | 35 Ų | 35 | 83.6 Ų | 83.6 | 22% | 0.215 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 153.7 | 175.1 | -171.4 | 0 | 0 | 0 | 0 | 110.8 | F33 I34 I54 L63 I65 | F33-T52 HydrophobicContact CE1-CG2 3.74Å; F33-T52 HydrophobicContact CZ-CG2 4.44Å; I34-T52 HydrophobicContact CG1-CG2 4.2Å; T52-I54 HydrophobicContact CG2-CG2 4.35Å; T52-L63 HydrophobicContact CG2-CB 4.16Å; T52-L63 HydrophobicContact CG2-CD1 4.37Å; T52-L63 HydrophobicContact CG2-CG 4.5Å; T52-L63 PolarHBondContact N-O 3.05Å; T52-L63 VanDerWaalsContact N-O 3.12Å; T52-L63 PolarHBondContact O-N 3.39Å; T52-I65 HydrophobicContact CG2-CD1 4.43Å |
| 53 | Q | 95.2 | Very high | 89.5 | Confident | 129 Ų | 129 | 78.1 Ų | 78.1 | 60% | 0.603 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.5 | 174.5 | -179.1 | 176.6 | 6.7 | 0 | 0 | 109.1 | N62 | Q53-N62 VanDerWaalsContact CG-OD1 3.27Å; Q53-N62 WeakPolarHBondContact CG-OD1 3.36Å |
| 54 | I | 93.1 | Very high | 90.6 | Very high | 40 Ų | 40 | 72.9 Ų | 72.9 | 21% | 0.205 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 171.7 | 176.6 | 64.9 | 157.4 | 0 | 0 | 0 | 111.2 | F33 T52 I56 A61 L63 | F33-I54 HydrophobicContact CE2-CD1 4.2Å; F33-I54 HydrophobicContact CZ-CD1 3.75Å; F33-I54 HydrophobicContact CZ-CG1 4.46Å; F33-I54 HydrophobicContact CZ-CG2 3.92Å; T52-I54 HydrophobicContact CG2-CG2 4.35Å; I54-I56 HydrophobicContact CD1-CD1 3.43Å; I54-I56 VanDerWaalsContact CD1-CD1 3.43Å; I54-I56 HydrophobicContact CD1-CG1 3.5Å; I54-I56 VanDerWaalsContact CD1-CG1 3.5Å; I54-I56 HydrophobicContact CG1-CD1 4.12Å; I54-I56 HydrophobicContact CG1-CG1 4.13Å; I54-A61 HydrophobicContact CG1-CB 4.3Å; I54-A61 PolarHBondContact N-O 2.97Å; I54-A61 PolarHBondContact O-N 2.93Å; I54-L63 HydrophobicContact CD1-CD1 3.89Å; I54-L63 HydrophobicContact CG1-CD1 4Å; I54-L63 HydrophobicContact CG1-CG 4.24Å |
| 55 | R | 92.8 | Very high | 91.5 | Very high | 156 Ų | 156 | 67.9 Ų | 67.9 | 59% | 0.589 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.3 | 169.8 | -73 | 176.7 | 63.7 | 76.7 | -0.6 | 108.9 | D58 | R55-D58 IonicContact CZ-OD1 3.2Å; R55-D58 IonicContact NE-OD1 2.63Å; R55-D58 PolarHBondContact NH1-O 2.91Å; R55-D58 VanDerWaalsContact NH1-O 3.1Å; R55-D58 VanDerWaalsContact NH2-C 3.34Å; R55-D58 VanDerWaalsContact NH2-CB 3.33Å; R55-D58 PolarHBondContact NH2-O 2.94Å; R55-D58 IonicContact NH2-OD1 3.91Å; R55-D58 PolarHBondContact NH2-OD1 3.18Å |
| 56 | I | 92.6 | Very high | 92.4 | Very high | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122 | 174.4 | -63.2 | 166.2 | 0 | 0 | 0 | 107.1 | I54 D58 E59 A61 A168 V171 R172 R175 | I54-I56 HydrophobicContact CD1-CD1 3.43Å; I54-I56 VanDerWaalsContact CD1-CD1 3.43Å; I54-I56 HydrophobicContact CD1-CG1 3.5Å; I54-I56 VanDerWaalsContact CD1-CG1 3.5Å; I54-I56 HydrophobicContact CG1-CD1 4.12Å; I54-I56 HydrophobicContact CG1-CG1 4.13Å; I56-D58 VanDerWaalsContact C-N 3.25Å; I56-D58 PolarHBondContact O-N 3.42Å; I56-E59 PolarHBondContact N-O 3.4Å; I56-E59 PolarHBondContact O-N 3.42Å; I56-E59 VanDerWaalsContact O-O 3.13Å; I56-A61 HydrophobicContact CD1-CB 4.16Å; I56-A168 HydrophobicContact CD1-CB 4.38Å; I56-A168 HydrophobicContact CG1-CB 4.28Å; I56-A168 HydrophobicContact CG2-CB 4.16Å; I56-V171 HydrophobicContact CD1-CB 3.53Å; I56-V171 HydrophobicContact CD1-CG1 3.63Å; I56-V171 HydrophobicContact CD1-CG2 3.62Å; I56-R172 HydrophobicContact CG2-CG 4.19Å; I56-R175 PolarHBondContact O-NH1 3.3Å |
| 57 | D | 92.1 | Very high | 93.3 | Very high | 89 Ų | 89 | 61.2 Ų | 61.2 | 48% | 0.476 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 44.8 | -177.5 | -52 | -36.2 | 0 | 0 | 0 | 112 | E59 R172 | D57-E59 PolarHBondContact O-N 2.92Å; D57-R172 IonicContact OD1-CZ 3.94Å; D57-R172 IonicContact OD1-NE 3.77Å; D57-R172 PolarHBondContact OD1-NE 3.4Å; D57-R172 IonicContact OD1-NH2 2.86Å; D57-R172 PolarHBondContact OD1-NH2 3.32Å; D57-R172 WeakPolarHBondContact OD2-CG 3.42Å; D57-R172 IonicContact OD2-CZ 3.81Å; D57-R172 IonicContact OD2-NE 3.58Å; D57-R172 PolarHBondContact OD2-NE 3.27Å; D57-R172 IonicContact OD2-NH2 3.32Å |
| 58 | D | 90.2 | Very high | 93.8 | Very high | 126 Ų | 126 | 56.7 Ų | 56.7 | 67% | 0.674 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 6.6 | -176.2 | -73.1 | -54.8 | 0 | 0 | 0 | 116.9 | R55 I56 | R55-D58 IonicContact CZ-OD1 3.2Å; R55-D58 IonicContact NE-OD1 2.63Å; R55-D58 PolarHBondContact NH1-O 2.91Å; R55-D58 VanDerWaalsContact NH1-O 3.1Å; R55-D58 VanDerWaalsContact NH2-C 3.34Å; R55-D58 VanDerWaalsContact NH2-CB 3.33Å; R55-D58 PolarHBondContact NH2-O 2.94Å; R55-D58 IonicContact NH2-OD1 3.91Å; R55-D58 PolarHBondContact NH2-OD1 3.18Å; I56-D58 VanDerWaalsContact C-N 3.25Å; I56-D58 PolarHBondContact O-N 3.42Å |
| 59 | E | 92.7 | Very high | 93.4 | Very high | 108 Ų | 108 | 53.7 Ų | 53.7 | 51% | 0.505 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 129.3 | 174.7 | -68.9 | -179 | -177.1 | 0 | 0 | 110.8 | I56 D57 A61 R175 | I56-E59 PolarHBondContact N-O 3.4Å; I56-E59 PolarHBondContact O-N 3.42Å; I56-E59 VanDerWaalsContact O-O 3.13Å; D57-E59 PolarHBondContact O-N 2.92Å; E59-A61 PolarHBondContact O-N 2.93Å; E59-R175 VanDerWaalsContact CB-NH2 3.34Å; E59-R175 PolarHBondContact O-NH2 2.95Å; E59-R175 IonicContact OE2-CZ 3.68Å; E59-R175 IonicContact OE2-NE 3.34Å; E59-R175 IonicContact OE2-NH1 3.39Å; E59-R175 PolarHBondContact OE2-NH1 3.48Å; E59-R175 IonicContact OE2-NH2 3.45Å |
| 60 | P | 93.2 | Very high | 92.2 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 38% | 0.383 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 139 | 172.5 | -20 | 30.5 | 0 | 0 | 0 | 111.6 | R175 | P60-R175 PolarHBondContact O-NH2 2.98Å |
| 61 | A | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 115.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109 | Y14 I54 I56 E59 L63 V171 | Y14-A61 HydrophobicContact CD2-CB 3.82Å; Y14-A61 HydrophobicContact CE2-CB 3.65Å; I54-A61 HydrophobicContact CG1-CB 4.3Å; I54-A61 PolarHBondContact N-O 2.97Å; I54-A61 PolarHBondContact O-N 2.93Å; I56-A61 HydrophobicContact CD1-CB 4.16Å; E59-A61 PolarHBondContact O-N 2.93Å; A61-L63 HydrophobicContact CB-CD2 4.09Å; A61-V171 HydrophobicContact CB-CG1 4.39Å |
| 62 | N | 96.8 | Very high | 89.1 | Confident | 40 Ų | 40 | 53.6 Ų | 53.6 | 21% | 0.214 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 125 | 167.5 | -70.8 | -12.5 | 0 | 0 | 0 | 107.1 | S11 R12 E13 Y14 Q53 | S11-N62 PolarHBondContact O-ND2 2.68Å; S11-N62 PolarHBondContact OG-ND2 2.67Å; S11-N62 PolarHBondContact OG-OD1 3.25Å; R12-N62 PolarHBondContact O-N 3.49Å; R12-N62 VanDerWaalsContact O-N 3.1Å; E13-N62 CarbonylContact C-O 3.35Å; E13-N62 VanDerWaalsContact CA-O 3.23Å; E13-N62 WeakPolarHBondContact CA-O 3.46Å; E13-N62 HydrophobicContact CB-CB 4.3Å; Y14-N62 PolarHBondContact N-O 3.18Å; Q53-N62 VanDerWaalsContact CG-OD1 3.27Å; Q53-N62 WeakPolarHBondContact CG-OD1 3.36Å |
| 63 | L | 97.7 | Very high | 87.5 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.8 | 178.6 | -51.7 | -173.8 | 0 | 0 | 0 | 109.1 | Y14 L16 F33 K51 T52 I54 A61 I65 F167 V171 | Y14-L63 HydrophobicContact CD2-CD2 4.09Å; Y14-L63 HydrophobicContact CG-CD2 4.36Å; L16-L63 HydrophobicContact CD1-CD1 4.13Å; L16-L63 HydrophobicContact CD1-CD2 4.18Å; F33-L63 HydrophobicContact CE1-CD1 3.68Å; F33-L63 HydrophobicContact CZ-CD1 3.64Å; K51-L63 VanDerWaalsContact CA-O 3.29Å; K51-L63 WeakPolarHBondContact CA-O 3.39Å; T52-L63 HydrophobicContact CG2-CB 4.16Å; T52-L63 HydrophobicContact CG2-CD1 4.37Å; T52-L63 HydrophobicContact CG2-CG 4.5Å; T52-L63 PolarHBondContact N-O 3.05Å; T52-L63 VanDerWaalsContact N-O 3.12Å; T52-L63 PolarHBondContact O-N 3.39Å; I54-L63 HydrophobicContact CD1-CD1 3.89Å; I54-L63 HydrophobicContact CG1-CD1 4Å; I54-L63 HydrophobicContact CG1-CG 4.24Å; A61-L63 HydrophobicContact CB-CD2 4.09Å; L63-I65 HydrophobicContact CB-CD1 4.1Å; L63-I65 HydrophobicContact CB-CG1 3.94Å; L63-I65 HydrophobicContact CD1-CD1 4.32Å; L63-F167 HydrophobicContact CD1-CD1 4.49Å; L63-V171 HydrophobicContact CD2-CG2 3.65Å |
| 64 | D | 97.6 | Very high | 86 | Confident | 33 Ų | 33 | 55.1 Ų | 55.1 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 100.4 | 168.6 | -167.6 | -6.1 | 0 | 0 | 0 | 106.6 | E13 Y14 K15 L16 K51 | E13-D64 HydrophobicContact CG-CB 3.95Å; Y14-D64 PolarHBondContact O-N 3.24Å; K15-D64 CarbonylContact C-O 3.57Å; K15-D64 WeakPolarHBondContact CA-O 3.44Å; K15-D64 HydrophobicContact CG-CB 4.37Å; L16-D64 PolarHBondContact N-O 2.7Å; K51-D64 WeakPolarHBondContact CE-OD2 3.44Å; K51-D64 IonicContact NZ-OD1 2.78Å; K51-D64 IonicContact NZ-OD2 3.4Å; K51-D64 PolarHBondContact NZ-OD2 3.24Å |
| 65 | I | 97.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 118.6 | -169 | -54.9 | 167.8 | 0 | 0 | 0 | 108.5 | L16 M18 I30 F33 I34 A49 Y50 T52 L63 F167 | L16-I65 HydrophobicContact CB-CG1 4.32Å; L16-I65 HydrophobicContact CD1-CG1 4.39Å; L16-I65 WeakPolarHBondContact O-CA 3.45Å; M18-I65 HydrophobicContact CG-CG2 4.03Å; I30-I65 HydrophobicContact CD1-CG2 4.11Å; I30-I65 HydrophobicContact CG1-CG2 4.14Å; I30-I65 HydrophobicContact CG2-CG2 4.29Å; F33-I65 HydrophobicContact CD1-CD1 4Å; F33-I65 HydrophobicContact CE1-CD1 3.84Å; I34-I65 HydrophobicContact CD1-CD1 4.38Å; A49-I65 WeakPolarHBondContact CA-O 3.46Å; Y50-I65 PolarHBondContact N-O 3.39Å; Y50-I65 PolarHBondContact O-N 2.79Å; T52-I65 HydrophobicContact CG2-CD1 4.43Å; L63-I65 HydrophobicContact CB-CD1 4.1Å; L63-I65 HydrophobicContact CB-CG1 3.94Å; L63-I65 HydrophobicContact CD1-CD1 4.32Å; I65-F167 HydrophobicContact CD1-CD1 4.18Å; I65-F167 HydrophobicContact CD1-CE1 3.77Å; I65-F167 HydrophobicContact CG1-CE1 4.44Å; I65-F167 HydrophobicContact CG2-CE1 4.43Å |
| 66 | L | 95.9 | Very high | 83.7 | Confident | 29 Ų | 29 | 54.5 Ų | 54.5 | 15% | 0.152 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 117.6 | 172.3 | -171.4 | 68.9 | 0 | 0 | 0 | 110.2 | L16 V17 M18 E47 T68 Y81 | L16-L66 PolarHBondContact O-N 3.29Å; V17-L66 HydrophobicContact CG1-CB 4.46Å; V17-L66 HydrophobicContact CG1-CD2 4.28Å; V17-L66 HydrophobicContact CG2-CB 4.32Å; V17-L66 HydrophobicContact CG2-CD2 4.46Å; M18-L66 PolarHBondContact N-O 2.95Å; E47-L66 HydrophobicContact CG-CD1 3.6Å; E47-L66 HydrophobicContact CG-CG 4.36Å; L66-T68 HydrophobicContact CD2-CG2 4.21Å; L66-T68 HydrophobicContact CG-CG2 4.26Å; L66-Y81 HydrophobicContact CD2-CD1 4.02Å; L66-Y81 HydrophobicContact CD2-CG 3.95Å |
| 67 | D | 93.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 120.1 | 166.3 | -164.9 | 18.4 | 0 | 0 | 0 | 109.4 | K26 S27 I30 T45 E47 D48 Y50 | K26-D67 WeakPolarHBondContact CB-OD1 3.16Å; S27-D67 VanDerWaalsContact CA-OD2 3.31Å; S27-D67 WeakPolarHBondContact CA-OD2 3.39Å; S27-D67 WeakPolarHBondContact CB-OD2 3.41Å; S27-D67 PolarHBondContact OG-OD2 3.04Å; I30-D67 HydrophobicContact CD1-CB 3.39Å; I30-D67 VanDerWaalsContact CD1-CG 3.42Å; T45-D67 HydrophobicContact CG2-CB 4.34Å; T45-D67 PolarHBondContact OG1-OD2 3.44Å; E47-D67 WeakPolarHBondContact CA-O 3.42Å; D48-D67 HydrophobicContact CB-CB 4.3Å; D48-D67 PolarHBondContact N-O 3.34Å; D48-D67 PolarHBondContact O-N 3.37Å; Y50-D67 HydrophobicContact CE2-CB 3.98Å |
| 68 | T | 89.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 154.4 | -179.3 | 78.3 | 0 | 0 | 0 | 0 | 111.1 | V17 M18 L19 K26 L66 G70 Y81 | V17-T68 HydrophobicContact CG1-CG2 3.9Å; M18-T68 PolarHBondContact O-OG1 3.36Å; L19-T68 HydrophobicContact CD2-CG2 4.03Å; K26-T68 WeakPolarHBondContact CE-O 3.34Å; K26-T68 PolarHBondContact NZ-O 2.96Å; L66-T68 HydrophobicContact CD2-CG2 4.21Å; L66-T68 HydrophobicContact CG-CG2 4.26Å; T68-G70 PolarHBondContact O-N 2.96Å; T68-Y81 HydrophobicContact CG2-CD1 4.26Å; T68-Y81 HydrophobicContact CG2-CE1 3.95Å; T68-Y81 HydrophobicContact CG2-CE2 4.34Å |
| 69 | A | 79.8 | Confident | 82.3 | Confident | 14 Ų | 14 | 52.6 Ų | 52.6 | 12% | 0.116 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 138.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | T45 I46 Q71 E73 | T45-A69 WeakPolarHBondContact O-CB 3.41Å; I46-A69 VanDerWaalsContact O-CB 3.25Å; I46-A69 WeakPolarHBondContact O-CB 3.23Å; I46-A69 PolarHBondContact O-N 3.38Å; A69-Q71 PolarHBondContact O-N 3.21Å; A69-E73 WeakPolarHBondContact CA-OE1 3.43Å; A69-E73 HydrophobicContact CB-CG 4.06Å; A69-E73 VanDerWaalsContact CB-OE1 3.3Å; A69-E73 WeakPolarHBondContact CB-OE1 3.36Å; A69-E73 PolarHBondContact N-OE1 3.02Å |
| 70 | G | 65.3 | Low | 82.1 | Confident | 14 Ų | 14 | 53.7 Ų | 53.7 | 14% | 0.144 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -78.7 | 12.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G20 E21 G22 T68 | G20-G70 WeakPolarHBondContact O-CA 3.43Å; E21-G70 CarbonylContact C-O 3.53Å; G22-G70 PolarHBondContact N-O 3.47Å; T68-G70 PolarHBondContact O-N 2.96Å |
| 71 | Q | 65.6 | Low | 81.9 | Confident | 148 Ų | 148 | 51.4 Ų | 51.4 | 69% | 0.692 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -104.3 | 174.2 | -177.1 | -66 | -164.4 | 1.8 | 0 | 0 | 111.9 | A69 E73 R78 | A69-Q71 PolarHBondContact O-N 3.21Å; Q71-E73 PolarHBondContact O-N 3.45Å; Q71-R78 PolarHBondContact O-NH2 2.88Å |
| 72 | A | 59.5 | Low | 81.8 | Confident | 98 Ų | 98 | 51.4 Ų | 51.4 | 81% | 0.81 | 28% | 0.284 | S | S | * | . | trans | -67 | 73.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 73 | E | 61.1 | Low | 81.6 | Confident | 31 Ų | 31 | 56 Ų | 56 | 15% | 0.145 | 30% | 0.298 | C | S | . | . | trans | -56.2 | 155.9 | 164.3 | -65.7 | 166.7 | 171 | 0 | 0 | 110.4 | A69 Q71 T75 Y81 | A69-E73 WeakPolarHBondContact CA-OE1 3.43Å; A69-E73 HydrophobicContact CB-CG 4.06Å; A69-E73 VanDerWaalsContact CB-OE1 3.3Å; A69-E73 WeakPolarHBondContact CB-OE1 3.36Å; A69-E73 PolarHBondContact N-OE1 3.02Å; Q71-E73 PolarHBondContact O-N 3.45Å; E73-T75 PolarHBondContact O-N 3.07Å; E73-Y81 WeakPolarHBondContact OE2-CE1 3.33Å; E73-Y81 VanDerWaalsContact OE2-CZ 3.31Å; E73-Y81 PolarHBondContact OE2-OH 2.92Å | ||
| 74 | F | 64.4 | Low | 81.3 | Confident | 166 Ų | 166 | 58.6 Ų | 58.6 | 73% | 0.728 | 32% | 0.32 | S | S | * | . | trans | -50.7 | 127.5 | 173.7 | -74.5 | -88.9 | 0 | 0 | 0 | 110.7 | A76 M77 R78 | F74-A76 PolarHBondContact O-N 3.12Å; F74-M77 HydrophobicContact CB-CE 3.83Å; F74-M77 HydrophobicContact CD2-CE 3.68Å; F74-M77 HydrophobicContact CG-CE 4.2Å; F74-M77 PolarHBondContact O-N 3.32Å; F74-R78 PolarHBondContact O-N 3.49Å | ||
| 75 | T | 69.9 | Low | 81.3 | Confident | 108 Ų | 108 | 57.2 Ų | 57.2 | 66% | 0.663 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -48.7 | -35.3 | -175.9 | -50.1 | 0 | 0 | 0 | 0 | 113.2 | E73 R78 D79 | E73-T75 PolarHBondContact O-N 3.07Å; T75-R78 PolarHBondContact O-N 2.91Å; T75-D79 WeakPolarHBondContact O-CB 3.29Å; T75-D79 PolarHBondContact O-N 2.9Å |
| 76 | A | 68.3 | Low | 81.3 | Confident | 75 Ų | 75 | 59.6 Ų | 59.6 | 62% | 0.62 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65 | -41.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F74 Q80 | F74-A76 PolarHBondContact O-N 3.12Å; A76-Q80 PolarHBondContact O-N 3.18Å |
| 77 | M | 75.1 | Confident | 81.4 | Confident | 89 Ų | 89 | 58.2 Ų | 58.2 | 44% | 0.438 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 176.7 | -68 | -168.8 | -76.9 | 0 | 0 | 110.3 | F74 D79 Q80 Y81 | F74-M77 HydrophobicContact CB-CE 3.83Å; F74-M77 HydrophobicContact CD2-CE 3.68Å; F74-M77 HydrophobicContact CG-CE 4.2Å; F74-M77 PolarHBondContact O-N 3.32Å; M77-D79 VanDerWaalsContact C-N 3.34Å; M77-D79 PolarHBondContact O-N 3.1Å; M77-Q80 WeakPolarHBondContact O-CB 3.35Å; M77-Q80 PolarHBondContact O-N 3.37Å; M77-Y81 VanDerWaalsContact O-CD1 3.27Å; M77-Y81 WeakPolarHBondContact O-CD1 3.19Å; M77-Y81 PolarHBondContact O-N 2.96Å |
| 78 | R | 82.1 | Confident | 81.6 | Confident | 51 Ų | 51 | 58.2 Ų | 58.2 | 19% | 0.192 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.4 | -47.4 | 176.3 | -178.4 | 175.4 | -61.7 | -173 | -7 | 113.5 | Q71 F74 T75 Q80 Y81 M82 L109 | Q71-R78 PolarHBondContact O-NH2 2.88Å; F74-R78 PolarHBondContact O-N 3.49Å; T75-R78 PolarHBondContact O-N 2.91Å; R78-Q80 PolarHBondContact O-N 3.14Å; R78-Y81 VanDerWaalsContact CA-CE1 3.48Å; R78-Y81 HydrophobicContact CB-CE1 4.32Å; R78-Y81 HydrophobicContact CB-CE2 4.3Å; R78-Y81 WeakPolarHBondContact CB-OH 3.24Å; R78-Y81 HydrophobicContact CG-CE2 3.84Å; R78-Y81 VanDerWaalsContact CG-OH 3.31Å; R78-Y81 WeakPolarHBondContact CG-OH 3.35Å; R78-Y81 WeakPolarHBondContact O-CD2 3.26Å; R78-Y81 VanDerWaalsContact O-CE2 3.28Å; R78-Y81 WeakPolarHBondContact O-CE2 3.35Å; R78-M82 HydrophobicContact CG-CE 3.86Å; R78-M82 HydrophobicContact CG-SD 4.33Å; R78-M82 WeakPolarHBondContact O-CB 3.25Å; R78-M82 VanDerWaalsContact O-CG 3.29Å; R78-M82 WeakPolarHBondContact O-CG 3.47Å; R78-M82 PolarHBondContact O-N 2.82Å; R78-M82 VanDerWaalsContact O-N 3.16Å; R78-L109 HydrophobicContact CG-CD2 3.99Å |
| 79 | D | 88.1 | Confident | 82.1 | Confident | 40 Ų | 40 | 58.2 Ų | 58.2 | 21% | 0.214 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.5 | -33.8 | 175.9 | -103.3 | 38.4 | 0 | 0 | 0 | 112.9 | T75 M77 R83 V113 | T75-D79 WeakPolarHBondContact O-CB 3.29Å; T75-D79 PolarHBondContact O-N 2.9Å; M77-D79 VanDerWaalsContact C-N 3.34Å; M77-D79 PolarHBondContact O-N 3.1Å; D79-R83 WeakPolarHBondContact O-CG 3.31Å; D79-R83 PolarHBondContact O-N 3.36Å; D79-R83 PolarHBondContact O-NE 3.21Å; D79-R83 IonicContact OD2-CZ 3.12Å; D79-R83 IonicContact OD2-NH1 3.39Å; D79-R83 PolarHBondContact OD2-NH1 3Å; D79-R83 IonicContact OD2-NH2 2.8Å; D79-V113 WeakPolarHBondContact OD1-CG2 3.24Å |
| 80 | Q | 88.2 | Confident | 83 | Confident | 132 Ų | 132 | 57.5 Ų | 57.5 | 62% | 0.617 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.5 | -53.9 | -179.1 | 179.2 | 177.3 | -33.4 | 0 | 0 | 111.8 | A76 M77 R78 M82 R83 A84 | A76-Q80 PolarHBondContact O-N 3.18Å; M77-Q80 WeakPolarHBondContact O-CB 3.35Å; M77-Q80 PolarHBondContact O-N 3.37Å; R78-Q80 PolarHBondContact O-N 3.14Å; Q80-M82 VanDerWaalsContact C-N 3.27Å; Q80-M82 PolarHBondContact O-N 3.25Å; Q80-R83 PolarHBondContact O-N 3.3Å; Q80-R83 VanDerWaalsContact O-N 3.14Å; Q80-A84 VanDerWaalsContact O-CB 3.31Å; Q80-A84 WeakPolarHBondContact O-CB 3.41Å; Q80-A84 PolarHBondContact O-N 3.07Å |
| 81 | Y | 89.1 | Confident | 84.5 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 4% | 0.039 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.9 | -29.8 | 179 | 53.9 | -116.2 | 0 | 0 | 0 | 112.3 | V17 L19 L66 T68 E73 M77 R78 R83 A84 G85 | V17-Y81 HydrophobicContact CG1-CD2 4.02Å; V17-Y81 HydrophobicContact CG1-CG 4.41Å; L19-Y81 HydrophobicContact CD2-CD2 4.34Å; L19-Y81 HydrophobicContact CD2-CE2 3.68Å; L66-Y81 HydrophobicContact CD2-CD1 4.02Å; L66-Y81 HydrophobicContact CD2-CG 3.95Å; T68-Y81 HydrophobicContact CG2-CD1 4.26Å; T68-Y81 HydrophobicContact CG2-CE1 3.95Å; T68-Y81 HydrophobicContact CG2-CE2 4.34Å; E73-Y81 WeakPolarHBondContact OE2-CE1 3.33Å; E73-Y81 VanDerWaalsContact OE2-CZ 3.31Å; E73-Y81 PolarHBondContact OE2-OH 2.92Å; M77-Y81 VanDerWaalsContact O-CD1 3.27Å; M77-Y81 WeakPolarHBondContact O-CD1 3.19Å; M77-Y81 PolarHBondContact O-N 2.96Å; R78-Y81 VanDerWaalsContact CA-CE1 3.48Å; R78-Y81 HydrophobicContact CB-CE1 4.32Å; R78-Y81 HydrophobicContact CB-CE2 4.3Å; R78-Y81 WeakPolarHBondContact CB-OH 3.24Å; R78-Y81 HydrophobicContact CG-CE2 3.84Å; R78-Y81 VanDerWaalsContact CG-OH 3.31Å; R78-Y81 WeakPolarHBondContact CG-OH 3.35Å; R78-Y81 WeakPolarHBondContact O-CD2 3.26Å; R78-Y81 VanDerWaalsContact O-CE2 3.28Å; R78-Y81 WeakPolarHBondContact O-CE2 3.35Å; Y81-R83 VanDerWaalsContact C-N 3.3Å; Y81-R83 PolarHBondContact O-N 3.1Å; Y81-A84 PolarHBondContact O-N 3.13Å; Y81-G85 PolarHBondContact O-N 3.42Å |
| 82 | M | 92.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.8 | -33.1 | 172.9 | -74.3 | -169.3 | -178.5 | 0 | 0 | 112.7 | L19 R78 Q80 F88 F106 L109 I110 V113 R114 | L19-M82 HydrophobicContact CD1-CE 4.2Å; R78-M82 HydrophobicContact CG-CE 3.86Å; R78-M82 HydrophobicContact CG-SD 4.33Å; R78-M82 WeakPolarHBondContact O-CB 3.25Å; R78-M82 VanDerWaalsContact O-CG 3.29Å; R78-M82 WeakPolarHBondContact O-CG 3.47Å; R78-M82 PolarHBondContact O-N 2.82Å; R78-M82 VanDerWaalsContact O-N 3.16Å; Q80-M82 VanDerWaalsContact C-N 3.27Å; Q80-M82 PolarHBondContact O-N 3.25Å; M82-F88 HydrophobicContact CG-CE1 4.38Å; M82-F88 WeakPolarHBondContact O-CZ 3.34Å; M82-F106 HydrophobicContact CE-CD1 4.36Å; M82-L109 HydrophobicContact CE-CB 4.02Å; M82-L109 HydrophobicContact CE-CD2 3.59Å; M82-L109 HydrophobicContact CE-CG 3.73Å; M82-L109 HydrophobicContact SD-CB 4.17Å; M82-L109 HydrophobicContact SD-CD2 3.96Å; M82-L109 HydrophobicContact SD-CG 3.57Å; M82-L109 VanDerWaalsContact SD-CG 3.57Å; M82-I110 HydrophobicContact CE-CG1 4.19Å; M82-I110 HydrophobicContact CG-CG1 4.46Å; M82-I110 HydrophobicContact SD-CG1 4.2Å; M82-V113 HydrophobicContact CB-CB 4.08Å; M82-V113 HydrophobicContact CB-CG1 3.74Å; M82-V113 HydrophobicContact CB-CG2 4.39Å; M82-V113 HydrophobicContact SD-CB 4.41Å; M82-V113 HydrophobicContact SD-CG2 4.03Å; M82-R114 WeakPolarHBondContact O-CD 3.37Å; M82-R114 PolarHBondContact O-NE 3.38Å; M82-R114 PolarHBondContact O-NH2 2.82Å |
| 83 | R | 93.6 | Very high | 88 | Confident | 137 Ų | 137 | 45.2 Ų | 45.2 | 52% | 0.517 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -77 | -38.4 | 172.2 | -74.5 | -173.9 | -75.3 | -93.5 | 6 | 112.6 | D79 Q80 Y81 V113 R114 | D79-R83 WeakPolarHBondContact O-CG 3.31Å; D79-R83 PolarHBondContact O-N 3.36Å; D79-R83 PolarHBondContact O-NE 3.21Å; D79-R83 IonicContact OD2-CZ 3.12Å; D79-R83 IonicContact OD2-NH1 3.39Å; D79-R83 PolarHBondContact OD2-NH1 3Å; D79-R83 IonicContact OD2-NH2 2.8Å; Q80-R83 PolarHBondContact O-N 3.3Å; Q80-R83 VanDerWaalsContact O-N 3.14Å; Y81-R83 VanDerWaalsContact C-N 3.3Å; Y81-R83 PolarHBondContact O-N 3.1Å; R83-V113 HydrophobicContact CG-CG1 3.52Å; R83-R114 PolarHBondContact O-NH1 2.64Å |
| 84 | A | 91.8 | Very high | 89.8 | Confident | 55 Ų | 55 | 43.8 Ų | 43.8 | 46% | 0.455 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -85.1 | -25.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q80 Y81 | Q80-A84 VanDerWaalsContact O-CB 3.31Å; Q80-A84 WeakPolarHBondContact O-CB 3.41Å; Q80-A84 PolarHBondContact O-N 3.07Å; Y81-A84 PolarHBondContact O-N 3.13Å |
| 85 | G | 96.3 | Very high | 91.4 | Very high | 5 Ų | 5 | 37 Ų | 37 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | trans | -59.8 | 171.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y81 R114 | Y81-G85 PolarHBondContact O-N 3.42Å; G85-R114 PolarHBondContact O-NH1 3.45Å; G85-R114 PolarHBondContact O-NH2 3.44Å | ||
| 86 | E | 97.8 | Very high | 92.8 | Very high | 49 Ų | 49 | 34.3 Ų | 34.3 | 23% | 0.229 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -121.6 | -27.6 | 171.8 | -68.4 | 174.7 | 137.4 | 0 | 0 | 110.6 | R12 Y14 K15 P120 I174 | R12-E86 IonicContact CZ-OE1 2.7Å; R12-E86 IonicContact CZ-OE2 3.5Å; R12-E86 IonicContact NH1-OE1 2.88Å; R12-E86 PolarHBondContact NH1-OE1 3.41Å; R12-E86 IonicContact NH1-OE2 2.7Å; R12-E86 PolarHBondContact NH1-OE2 3.5Å; R12-E86 IonicContact NH2-OE1 2.65Å; R12-E86 PolarHBondContact NH2-OE1 2.98Å; R12-E86 IonicContact NH2-OE2 3.38Å; Y14-E86 WeakPolarHBondContact CA-OE2 3.38Å; K15-E86 HydrophobicContact CB-CG 4.17Å; K15-E86 PolarHBondContact N-OE2 2.83Å; K15-E86 PolarHBondContact O-N 3.41Å; E86-P120 WeakPolarHBondContact O-CD 3.35Å; E86-P120 VanDerWaalsContact O-CG 3.31Å; E86-P120 WeakPolarHBondContact O-CG 3.44Å; E86-I174 HydrophobicContact CB-CD1 4.02Å; E86-I174 HydrophobicContact CB-CG2 4.44Å |
| 87 | G | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 158.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112.2 | K15 L16 V17 P120 | K15-G87 PolarHBondContact O-N 3.41Å; L16-G87 WeakPolarHBondContact CA-O 3.31Å; V17-G87 PolarHBondContact N-O 2.96Å; G87-P120 WeakPolarHBondContact CA-O 3.36Å |
| 88 | F | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 138.6 | -176.9 | -57.8 | -93.4 | 0 | 0 | 0 | 111.1 | V17 L19 M82 I110 R114 T119 P120 V121 V122 | V17-F88 HydrophobicContact CB-CD1 3.69Å; V17-F88 HydrophobicContact CB-CE1 3.84Å; V17-F88 HydrophobicContact CG1-CD1 4.2Å; V17-F88 HydrophobicContact CG1-CE1 4.29Å; V17-F88 HydrophobicContact CG2-CD1 4.33Å; V17-F88 HydrophobicContact CG2-CE1 4Å; V17-F88 WeakPolarHBondContact O-CA 3.08Å; L19-F88 HydrophobicContact CD1-CD1 3.64Å; L19-F88 HydrophobicContact CD1-CE1 4.37Å; L19-F88 HydrophobicContact CD1-CG 4.42Å; L19-F88 HydrophobicContact CG-CD1 4.38Å; M82-F88 HydrophobicContact CG-CE1 4.38Å; M82-F88 WeakPolarHBondContact O-CZ 3.34Å; F88-I110 HydrophobicContact CB-CD1 3.88Å; F88-I110 HydrophobicContact CD1-CD1 3.98Å; F88-I110 HydrophobicContact CD1-CG1 4.28Å; F88-I110 HydrophobicContact CD2-CD1 4.12Å; F88-I110 HydrophobicContact CD2-CG2 4.18Å; F88-I110 HydrophobicContact CE1-CG1 4.46Å; F88-I110 HydrophobicContact CE2-CG2 4.12Å; F88-I110 HydrophobicContact CG-CD1 3.71Å; F88-I110 HydrophobicContact CG-CG1 4.32Å; F88-R114 VanDerWaalsContact CZ-NH2 3.27Å; F88-T119 HydrophobicContact CD2-CG2 3.6Å; F88-T119 HydrophobicContact CE2-CG2 3.43Å; F88-T119 VanDerWaalsContact CE2-CG2 3.43Å; F88-P120 PolarHBondContact N-O 3.46Å; F88-V121 HydrophobicContact CB-CG2 4.3Å; F88-V121 CarbonylContact O-C 3.57Å; F88-V121 VanDerWaalsContact O-CA 3.24Å; F88-V121 WeakPolarHBondContact O-CA 3.47Å; F88-V122 PolarHBondContact O-N 3.31Å |
| 89 | I | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 121 | 165.7 | -60 | 170.1 | 0 | 0 | 0 | 105.8 | V17 M18 L19 V122 V124 V166 F167 L170 | V17-I89 PolarHBondContact O-N 3.41Å; M18-I89 HydrophobicContact CE-CB 4.43Å; M18-I89 HydrophobicContact CE-CG2 4.08Å; M18-I89 HydrophobicContact SD-CB 3.44Å; M18-I89 WeakPolarHBondContact SD-CB 3.33Å; M18-I89 HydrophobicContact SD-CD1 3.38Å; M18-I89 WeakPolarHBondContact SD-CD1 3.4Å; M18-I89 HydrophobicContact SD-CG1 3.89Å; M18-I89 HydrophobicContact SD-CG2 3.7Å; L19-I89 PolarHBondContact N-O 3.42Å; I89-V122 WeakPolarHBondContact CA-O 3.13Å; I89-V124 HydrophobicContact CG2-CB 4.36Å; I89-V124 HydrophobicContact CG2-CG2 3.65Å; I89-V166 HydrophobicContact CD1-CG1 3.61Å; I89-V166 HydrophobicContact CG1-CG1 4.01Å; I89-V166 HydrophobicContact CG2-CG1 3.94Å; I89-F167 HydrophobicContact CD1-CD1 3.8Å; I89-F167 HydrophobicContact CD1-CE1 3.63Å; I89-F167 HydrophobicContact CD1-CG 4.37Å; I89-F167 HydrophobicContact CD1-CZ 4.06Å; I89-L170 HydrophobicContact CD1-CD2 4.12Å; I89-L170 HydrophobicContact CG1-CD2 3.55Å |
| 90 | I | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 111.1 | 176 | -54.2 | 177 | 0 | 0 | 0 | 107.2 | A103 F106 K107 I110 V121 V122 L123 V124 F148 | I90-A103 HydrophobicContact CG2-CB 3.56Å; I90-F106 HydrophobicContact CD1-CB 4.29Å; I90-F106 HydrophobicContact CG2-CB 4.21Å; I90-K107 HydrophobicContact CD1-CB 4.01Å; I90-I110 HydrophobicContact CD1-CD1 3.9Å; I90-I110 HydrophobicContact CG1-CD1 4.37Å; I90-V121 HydrophobicContact CD1-CG1 3.82Å; I90-V121 HydrophobicContact CG1-CG1 4.09Å; I90-V122 PolarHBondContact N-O 3.01Å; I90-L123 HydrophobicContact CB-CD1 4.37Å; I90-L123 HydrophobicContact CG2-CD1 4.41Å; I90-V124 PolarHBondContact O-N 3.46Å; I90-F148 HydrophobicContact CD1-CE2 4.33Å |
| 91 | S | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 136.5 | -179.7 | -168.4 | 0 | 0 | 0 | 0 | 111.1 | L19 G20 V124 | L19-S91 PolarHBondContact O-N 3.08Å; G20-S91 VanDerWaalsContact CA-O 3.23Å; G20-S91 WeakPolarHBondContact CA-O 3.38Å; S91-V124 CarbonylContact C-O 3.52Å; S91-V124 WeakPolarHBondContact CA-O 3.14Å |
| 92 | Y | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 168.4 | 163 | 73.2 | -88.5 | 0 | 0 | 0 | 109.6 | I94 S99 L100 L123 V124 G125 N126 V136 G141 F152 | Y92-I94 HydrophobicContact CE2-CG2 4.2Å; Y92-S99 WeakPolarHBondContact CB-O 3.45Å; Y92-S99 WeakPolarHBondContact CB-OG 3.38Å; Y92-L100 HydrophobicContact CD1-CD1 3.71Å; Y92-L100 HydrophobicContact CD2-CB 4.13Å; Y92-L100 HydrophobicContact CD2-CD1 3.89Å; Y92-L100 HydrophobicContact CE1-CD1 3.58Å; Y92-L100 HydrophobicContact CE2-CD1 3.8Å; Y92-L100 HydrophobicContact CG-CB 4.34Å; Y92-L100 HydrophobicContact CG-CD1 3.87Å; Y92-L123 HydrophobicContact CD1-CD1 3.99Å; Y92-L123 HydrophobicContact CD1-CG 4.42Å; Y92-L123 HydrophobicContact CE1-CD1 4.2Å; Y92-L123 HydrophobicContact CE1-CD2 4.34Å; Y92-L123 HydrophobicContact CE1-CG 4.14Å; Y92-V124 WeakPolarHBondContact CD1-O 3.25Å; Y92-V124 PolarHBondContact N-O 3.13Å; Y92-G125 VanDerWaalsContact CE1-CA 3.49Å; Y92-G125 VanDerWaalsContact CZ-CA 3.43Å; Y92-N126 PolarHBondContact O-N 3.46Å; Y92-V136 HydrophobicContact CE2-CB 4.1Å; Y92-V136 HydrophobicContact CE2-CG1 3.71Å; Y92-V136 HydrophobicContact CE2-CG2 4.43Å; Y92-G141 WeakPolarHBondContact OH-CA 3.4Å; Y92-F152 AromaticContact CE1-CE2 3.94Å; Y92-F152 HydrophobicContact CE1-CE2 3.94Å; Y92-F152 WeakPolarHBondContact OH-CE2 3.47Å; Y92-F152 WeakPolarHBondContact OH-CZ 3.28Å |
| 93 | S | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 130.4 | 173.2 | -174.4 | 0 | 0 | 0 | 0 | 110 | T95 D96 S99 K127 | S93-T95 PolarHBondContact O-N 3.4Å; S93-T95 PolarHBondContact OG-N 3.16Å; S93-T95 PolarHBondContact OG-OG1 3.16Å; S93-D96 PolarHBondContact O-N 3.41Å; S93-S99 PolarHBondContact N-OG 3.06Å; S93-S99 PolarHBondContact O-OG 3.34Å; S93-K127 VanDerWaalsContact OG-CD 3.3Å; S93-K127 WeakPolarHBondContact OG-CD 3.31Å; S93-K127 WeakPolarHBondContact OG-CE 3.34Å |
| 94 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.2 | 175.3 | 66.2 | 151.4 | 0 | 0 | 0 | 112.7 | Y92 N126 K127 R134 Q135 V136 | Y92-I94 HydrophobicContact CE2-CG2 4.2Å; I94-N126 PolarHBondContact N-O 3.42Å; I94-K127 VanDerWaalsContact CD1-O 3.3Å; I94-K127 WeakPolarHBondContact CD1-O 3.31Å; I94-K127 VanDerWaalsContact CG1-O 3.28Å; I94-K127 WeakPolarHBondContact CG1-O 3.29Å; I94-R134 HydrophobicContact CD1-CB 4.25Å; I94-R134 HydrophobicContact CD1-CG 4.24Å; I94-R134 VanDerWaalsContact CD1-CZ 3.47Å; I94-Q135 PolarHBondContact O-N 3.28Å; I94-V136 PolarHBondContact O-N 2.97Å |
| 95 | T | 98.7 | Very high | 97.9 | Very high | 24 Ų | 24 | 38.6 Ų | 38.6 | 15% | 0.147 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 2 | 178.9 | 72.6 | 0 | 0 | 0 | 0 | 113.3 | S93 K127 L130 L133 Q135 | S93-T95 PolarHBondContact O-N 3.4Å; S93-T95 PolarHBondContact OG-N 3.16Å; S93-T95 PolarHBondContact OG-OG1 3.16Å; T95-K127 HydrophobicContact CG2-CB 4.45Å; T95-L130 HydrophobicContact CG2-CB 3.67Å; T95-L130 HydrophobicContact CG2-CD1 4Å; T95-L130 HydrophobicContact CG2-CG 4.48Å; T95-L133 WeakPolarHBondContact CA-O 3.46Å; T95-L133 HydrophobicContact CG2-CB 3.79Å; T95-Q135 PolarHBondContact O-NE2 3.24Å |
| 96 | D | 98.4 | Very high | 97.9 | Very high | 51 Ų | 51 | 38.9 Ų | 38.9 | 27% | 0.273 | 17% | 0.169 | S | C | . | . | trans | -142.1 | 106.1 | -178.1 | -173.8 | -8.5 | 0 | 0 | 0 | 111 | S93 R98 S99 | S93-D96 PolarHBondContact O-N 3.41Å; D96-R98 VanDerWaalsContact C-N 3.26Å; D96-R98 PolarHBondContact O-N 3.11Å; D96-R98 WeakPolarHBondContact OD1-CB 3.36Å; D96-R98 PolarHBondContact OD1-N 3.43Å; D96-S99 PolarHBondContact O-N 2.91Å; D96-S99 PolarHBondContact O-OG 3.15Å | ||
| 97 | R | 98.3 | Very high | 97.9 | Very high | 104 Ų | 104 | 37.1 Ų | 37.1 | 39% | 0.392 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.8 | -28 | 179.3 | -178.5 | 168.9 | -74.6 | -95.7 | -10.1 | 113.4 | S99 L100 Q101 Q135 V136 E140 | R97-S99 VanDerWaalsContact C-N 3.32Å; R97-L100 PolarHBondContact O-N 3.49Å; R97-Q101 PolarHBondContact O-N 2.94Å; R97-Q135 HydrophobicContact CB-CB 4.43Å; R97-Q135 PolarHBondContact NE-O 2.93Å; R97-Q135 PolarHBondContact NH2-O 2.94Å; R97-V136 HydrophobicContact CB-CG2 4.24Å; R97-E140 IonicContact CZ-OE1 2.79Å; R97-E140 IonicContact NH1-OE1 2.66Å; R97-E140 PolarHBondContact NH1-OE1 3.04Å; R97-E140 VanDerWaalsContact NH2-CD 3.31Å; R97-E140 IonicContact NH2-OE1 3.33Å; R97-E140 PolarHBondContact NH2-OE1 3.06Å; R97-E140 IonicContact NH2-OE2 3.89Å; R97-E140 PolarHBondContact NH2-OE2 3.28Å |
| 98 | R | 97.5 | Very high | 97.8 | Very high | 178 Ų | 178 | 41.9 Ų | 41.9 | 67% | 0.672 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -66.4 | -39.5 | 178 | -64.7 | -179.4 | 178.7 | 177.3 | 0.5 | 110.6 | D96 L100 Q101 E102 | D96-R98 VanDerWaalsContact C-N 3.26Å; D96-R98 PolarHBondContact O-N 3.11Å; D96-R98 WeakPolarHBondContact OD1-CB 3.36Å; D96-R98 PolarHBondContact OD1-N 3.43Å; R98-L100 PolarHBondContact O-N 3.35Å; R98-Q101 WeakPolarHBondContact O-CA 3.5Å; R98-Q101 VanDerWaalsContact O-CB 3.31Å; R98-Q101 WeakPolarHBondContact O-CB 3.33Å; R98-Q101 PolarHBondContact O-N 2.79Å; R98-E102 PolarHBondContact O-N 2.63Å |
| 99 | S | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.6 | -29.7 | 178.7 | 74.8 | 0 | 0 | 0 | 0 | 114 | E21 Y92 S93 D96 R97 A103 | E21-S99 WeakPolarHBondContact OE2-CA 3.41Å; E21-S99 VanDerWaalsContact OE2-CB 3.26Å; E21-S99 WeakPolarHBondContact OE2-CB 3.37Å; E21-S99 PolarHBondContact OE2-N 2.94Å; Y92-S99 WeakPolarHBondContact CB-O 3.45Å; Y92-S99 WeakPolarHBondContact CB-OG 3.38Å; S93-S99 PolarHBondContact N-OG 3.06Å; S93-S99 PolarHBondContact O-OG 3.34Å; D96-S99 PolarHBondContact O-N 2.91Å; D96-S99 PolarHBondContact O-OG 3.15Å; R97-S99 VanDerWaalsContact C-N 3.32Å; S99-A103 PolarHBondContact O-N 3.1Å |
| 100 | L | 98.6 | Very high | 97.5 | Very high | 19 Ų | 19 | 43.2 Ų | 43.2 | 10% | 0.099 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.7 | -38 | 171.8 | -174.7 | 75.5 | 0 | 0 | 0 | 111.7 | Y92 R97 R98 A103 R104 V136 E140 L144 | Y92-L100 HydrophobicContact CD1-CD1 3.71Å; Y92-L100 HydrophobicContact CD2-CB 4.13Å; Y92-L100 HydrophobicContact CD2-CD1 3.89Å; Y92-L100 HydrophobicContact CE1-CD1 3.58Å; Y92-L100 HydrophobicContact CE2-CD1 3.8Å; Y92-L100 HydrophobicContact CG-CB 4.34Å; Y92-L100 HydrophobicContact CG-CD1 3.87Å; R97-L100 PolarHBondContact O-N 3.49Å; R98-L100 PolarHBondContact O-N 3.35Å; L100-A103 WeakPolarHBondContact O-CB 3.36Å; L100-A103 PolarHBondContact O-N 2.77Å; L100-R104 PolarHBondContact O-N 3.3Å; L100-V136 HydrophobicContact CB-CG2 4.22Å; L100-V136 HydrophobicContact CD1-CG1 4.3Å; L100-V136 HydrophobicContact CD2-CG1 3.74Å; L100-V136 HydrophobicContact CD2-CG2 4.31Å; L100-V136 HydrophobicContact CG-CG1 4.45Å; L100-E140 HydrophobicContact CD2-CB 4.25Å; L100-L144 HydrophobicContact CD1-CD2 3.5Å; L100-L144 HydrophobicContact CG-CD2 4Å |
| 101 | Q | 97.6 | Very high | 97.4 | Very high | 111 Ų | 111 | 45.1 Ų | 45.1 | 52% | 0.519 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.5 | -40.6 | 176.5 | -60.7 | 173.7 | -4.3 | 0 | 0 | 110.7 | R97 R98 A103 R104 Q105 | R97-Q101 PolarHBondContact O-N 2.94Å; R98-Q101 WeakPolarHBondContact O-CA 3.5Å; R98-Q101 VanDerWaalsContact O-CB 3.31Å; R98-Q101 WeakPolarHBondContact O-CB 3.33Å; R98-Q101 PolarHBondContact O-N 2.79Å; Q101-A103 VanDerWaalsContact C-N 3.34Å; Q101-A103 PolarHBondContact O-N 3.09Å; Q101-R104 WeakPolarHBondContact O-CB 3.32Å; Q101-R104 PolarHBondContact O-N 3.2Å; Q101-Q105 PolarHBondContact O-N 2.66Å |
| 102 | E | 96.3 | Very high | 97.2 | Very high | 60 Ų | 60 | 53.4 Ų | 53.4 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.3 | -37.7 | 174 | -69.2 | -55.8 | 129.8 | 0 | 0 | 112.1 | E21 R98 R104 Q105 F106 | E21-E102 HydrophobicContact CB-CB 4.27Å; E21-E102 HydrophobicContact CB-CG 4.35Å; E21-E102 HydrophobicContact CG-CG 4.46Å; R98-E102 PolarHBondContact O-N 2.63Å; E102-R104 PolarHBondContact O-N 3.25Å; E102-Q105 WeakPolarHBondContact O-CA 3.46Å; E102-Q105 WeakPolarHBondContact O-CB 3.42Å; E102-Q105 PolarHBondContact O-N 3.42Å; E102-Q105 PolarHBondContact OE1-NE2 3.45Å; E102-F106 HydrophobicContact CB-CE2 4.38Å; E102-F106 WeakPolarHBondContact O-CD2 3.24Å; E102-F106 PolarHBondContact O-N 2.84Å |
| 103 | A | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.9 | -38.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I90 S99 L100 Q101 F106 K107 L123 L144 | I90-A103 HydrophobicContact CG2-CB 3.56Å; S99-A103 PolarHBondContact O-N 3.1Å; L100-A103 WeakPolarHBondContact O-CB 3.36Å; L100-A103 PolarHBondContact O-N 2.77Å; Q101-A103 VanDerWaalsContact C-N 3.34Å; Q101-A103 PolarHBondContact O-N 3.09Å; A103-F106 PolarHBondContact O-N 2.65Å; A103-K107 PolarHBondContact O-N 3.38Å; A103-K107 VanDerWaalsContact O-N 3.14Å; A103-L123 HydrophobicContact CB-CD1 4.17Å; A103-L144 HydrophobicContact CB-CD2 4.34Å |
| 104 | R | 97.8 | Very high | 96.9 | Very high | 108 Ų | 108 | 57.6 Ų | 57.6 | 41% | 0.408 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.2 | -42 | 172.7 | -172.1 | -178.3 | -83.1 | 146.5 | -1.4 | 112.3 | L100 Q101 E102 K107 Q108 L144 E147 F148 | L100-R104 PolarHBondContact O-N 3.3Å; Q101-R104 WeakPolarHBondContact O-CB 3.32Å; Q101-R104 PolarHBondContact O-N 3.2Å; E102-R104 PolarHBondContact O-N 3.25Å; R104-K107 PolarHBondContact O-N 3.2Å; R104-Q108 WeakPolarHBondContact O-CG 3.08Å; R104-Q108 PolarHBondContact O-N 3.03Å; R104-Q108 VanDerWaalsContact O-N 3.08Å; R104-L144 HydrophobicContact CB-CD1 4.24Å; R104-L144 HydrophobicContact CG-CD1 4.41Å; R104-E147 IonicContact CZ-OE2 3.51Å; R104-E147 IonicContact NE-OE1 3.79Å; R104-E147 PolarHBondContact NE-OE1 2.86Å; R104-E147 IonicContact NE-OE2 3.13Å; R104-E147 PolarHBondContact NE-OE2 2.78Å; R104-E147 IonicContact NH2-OE2 3.07Å; R104-E147 PolarHBondContact NH2-OE2 2.7Å; R104-F148 HydrophobicContact CB-CZ 4.34Å; R104-F148 HydrophobicContact CG-CE1 4.36Å |
| 105 | Q | 95.6 | Very high | 96.7 | Very high | 100 Ų | 100 | 68.7 Ų | 68.7 | 47% | 0.467 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 177.6 | -63 | -178.4 | 46.3 | 0 | 0 | 111.8 | Q101 E102 K107 Q108 L109 | Q101-Q105 PolarHBondContact O-N 2.66Å; E102-Q105 WeakPolarHBondContact O-CA 3.46Å; E102-Q105 WeakPolarHBondContact O-CB 3.42Å; E102-Q105 PolarHBondContact O-N 3.42Å; E102-Q105 PolarHBondContact OE1-NE2 3.45Å; Q105-K107 PolarHBondContact O-N 3.13Å; Q105-Q108 PolarHBondContact O-N 3.37Å; Q105-L109 WeakPolarHBondContact O-CB 3.2Å; Q105-L109 PolarHBondContact O-N 3.23Å |
| 106 | F | 95.7 | Very high | 96.5 | Very high | 11 Ų | 11 | 70.5 Ų | 70.5 | 5% | 0.048 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.9 | -45 | 174.7 | -76.7 | -65.5 | 0 | 0 | 0 | 112 | L19 G20 M82 I90 E102 A103 Q108 L109 I110 | L19-F106 HydrophobicContact CB-CD1 4.13Å; L19-F106 HydrophobicContact CB-CE1 4.49Å; L19-F106 HydrophobicContact CB-CG 4.23Å; L19-F106 HydrophobicContact CD1-CD1 4.29Å; L19-F106 HydrophobicContact CD2-CD1 4.41Å; L19-F106 HydrophobicContact CD2-CE1 4.44Å; G20-F106 VanDerWaalsContact CA-CE2 3.48Å; M82-F106 HydrophobicContact CE-CD1 4.36Å; I90-F106 HydrophobicContact CD1-CB 4.29Å; I90-F106 HydrophobicContact CG2-CB 4.21Å; E102-F106 HydrophobicContact CB-CE2 4.38Å; E102-F106 WeakPolarHBondContact O-CD2 3.24Å; E102-F106 PolarHBondContact O-N 2.84Å; A103-F106 PolarHBondContact O-N 2.65Å; F106-Q108 PolarHBondContact O-N 3.06Å; F106-L109 PolarHBondContact O-N 3.12Å; F106-I110 VanDerWaalsContact O-CG1 3.32Å; F106-I110 WeakPolarHBondContact O-CG1 3.35Å; F106-I110 PolarHBondContact O-N 2.69Å |
| 107 | K | 97.4 | Very high | 96.1 | Very high | 11 Ų | 11 | 70.8 Ų | 70.8 | 5% | 0.048 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 176.4 | -179.2 | 62.1 | 168.2 | 78.4 | 0 | 112.1 | I90 A103 R104 Q105 L109 I110 D111 A117 V121 F148 | I90-K107 HydrophobicContact CD1-CB 4.01Å; A103-K107 PolarHBondContact O-N 3.38Å; A103-K107 VanDerWaalsContact O-N 3.14Å; R104-K107 PolarHBondContact O-N 3.2Å; Q105-K107 PolarHBondContact O-N 3.13Å; K107-L109 PolarHBondContact O-N 2.85Å; K107-I110 PolarHBondContact O-N 3.41Å; K107-D111 IonicContact NZ-OD1 2.79Å; K107-D111 PolarHBondContact NZ-OD1 2.82Å; K107-D111 IonicContact NZ-OD2 3.24Å; K107-D111 PolarHBondContact NZ-OD2 3.28Å; K107-D111 PolarHBondContact O-N 2.54Å; K107-A117 PolarHBondContact NZ-O 2.8Å; K107-V121 HydrophobicContact CD-CG2 4.1Å; K107-F148 HydrophobicContact CB-CD1 4.09Å; K107-F148 HydrophobicContact CB-CD2 4.15Å; K107-F148 HydrophobicContact CB-CE1 3.72Å; K107-F148 HydrophobicContact CB-CE2 3.77Å; K107-F148 HydrophobicContact CB-CG 4.32Å; K107-F148 HydrophobicContact CB-CZ 3.58Å; K107-F148 HydrophobicContact CD-CD2 4.33Å; K107-F148 HydrophobicContact CD-CG 4.23Å; K107-F148 HydrophobicContact CG-CD1 3.67Å; K107-F148 HydrophobicContact CG-CD2 4.08Å; K107-F148 HydrophobicContact CG-CE1 3.82Å; K107-F148 HydrophobicContact CG-CE2 4.2Å; K107-F148 HydrophobicContact CG-CG 3.83Å; K107-F148 HydrophobicContact CG-CZ 4.11Å |
| 108 | Q | 96.1 | Very high | 95.8 | Very high | 100 Ų | 100 | 70.7 Ų | 70.7 | 47% | 0.467 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.3 | -36.7 | 178.2 | -70.9 | 174.2 | -1.4 | 0 | 0 | 112.2 | R104 Q105 F106 R112 | R104-Q108 WeakPolarHBondContact O-CG 3.08Å; R104-Q108 PolarHBondContact O-N 3.03Å; R104-Q108 VanDerWaalsContact O-N 3.08Å; Q105-Q108 PolarHBondContact O-N 3.37Å; F106-Q108 PolarHBondContact O-N 3.06Å; Q108-R112 WeakPolarHBondContact O-CB 3.36Å; Q108-R112 PolarHBondContact O-N 2.91Å; Q108-R112 VanDerWaalsContact O-N 3.1Å |
| 109 | L | 94.2 | Very high | 95.8 | Very high | 28 Ų | 28 | 62.7 Ų | 62.7 | 15% | 0.147 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.8 | -41.7 | 179 | -171.8 | 58.7 | 0 | 0 | 0 | 111.9 | R78 M82 Q105 F106 K107 D111 R112 V113 | R78-L109 HydrophobicContact CG-CD2 3.99Å; M82-L109 HydrophobicContact CE-CB 4.02Å; M82-L109 HydrophobicContact CE-CD2 3.59Å; M82-L109 HydrophobicContact CE-CG 3.73Å; M82-L109 HydrophobicContact SD-CB 4.17Å; M82-L109 HydrophobicContact SD-CD2 3.96Å; M82-L109 HydrophobicContact SD-CG 3.57Å; M82-L109 VanDerWaalsContact SD-CG 3.57Å; Q105-L109 WeakPolarHBondContact O-CB 3.2Å; Q105-L109 PolarHBondContact O-N 3.23Å; F106-L109 PolarHBondContact O-N 3.12Å; K107-L109 PolarHBondContact O-N 2.85Å; L109-D111 VanDerWaalsContact C-N 3.3Å; L109-D111 PolarHBondContact O-N 2.6Å; L109-R112 WeakPolarHBondContact O-CB 3.46Å; L109-R112 PolarHBondContact O-N 3.17Å; L109-V113 HydrophobicContact CD1-CG2 4.17Å; L109-V113 HydrophobicContact CG-CG2 4.43Å; L109-V113 WeakPolarHBondContact O-CG2 3.45Å; L109-V113 PolarHBondContact O-N 3.01Å |
| 110 | I | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -53.7 | -51.2 | 171.4 | -68.9 | 163.3 | 0 | 0 | 0 | 109.5 | L19 M82 F88 I90 F106 K107 R112 V113 R114 T119 V121 | L19-I110 HydrophobicContact CD1-CD1 3.82Å; L19-I110 HydrophobicContact CD1-CG1 4.18Å; M82-I110 HydrophobicContact CE-CG1 4.19Å; M82-I110 HydrophobicContact CG-CG1 4.46Å; M82-I110 HydrophobicContact SD-CG1 4.2Å; F88-I110 HydrophobicContact CB-CD1 3.88Å; F88-I110 HydrophobicContact CD1-CD1 3.98Å; F88-I110 HydrophobicContact CD1-CG1 4.28Å; F88-I110 HydrophobicContact CD2-CD1 4.12Å; F88-I110 HydrophobicContact CD2-CG2 4.18Å; F88-I110 HydrophobicContact CE1-CG1 4.46Å; F88-I110 HydrophobicContact CE2-CG2 4.12Å; F88-I110 HydrophobicContact CG-CD1 3.71Å; F88-I110 HydrophobicContact CG-CG1 4.32Å; I90-I110 HydrophobicContact CD1-CD1 3.9Å; I90-I110 HydrophobicContact CG1-CD1 4.37Å; F106-I110 VanDerWaalsContact O-CG1 3.32Å; F106-I110 WeakPolarHBondContact O-CG1 3.35Å; F106-I110 PolarHBondContact O-N 2.69Å; K107-I110 PolarHBondContact O-N 3.41Å; I110-R112 VanDerWaalsContact C-N 3.29Å; I110-R112 PolarHBondContact O-N 3.44Å; I110-V113 PolarHBondContact O-N 3.49Å; I110-R114 HydrophobicContact CG2-CG 3.96Å; I110-R114 WeakPolarHBondContact O-CB 3.44Å; I110-R114 WeakPolarHBondContact O-CG 3.46Å; I110-R114 PolarHBondContact O-N 3.34Å; I110-T119 HydrophobicContact CG2-CG2 3.71Å; I110-V121 HydrophobicContact CD1-CG2 4.43Å |
| 111 | D | 96.7 | Very high | 95.8 | Very high | 40 Ų | 40 | 62.4 Ų | 62.4 | 21% | 0.214 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -38.4 | -176.7 | -67.7 | -14.7 | 0 | 0 | 0 | 112.4 | K107 L109 R115 T116 | K107-D111 IonicContact NZ-OD1 2.79Å; K107-D111 PolarHBondContact NZ-OD1 2.82Å; K107-D111 IonicContact NZ-OD2 3.24Å; K107-D111 PolarHBondContact NZ-OD2 3.28Å; K107-D111 PolarHBondContact O-N 2.54Å; L109-D111 VanDerWaalsContact C-N 3.3Å; L109-D111 PolarHBondContact O-N 2.6Å; D111-R115 VanDerWaalsContact O-CA 3.25Å; D111-R115 WeakPolarHBondContact O-CA 3.46Å; D111-R115 PolarHBondContact O-N 2.78Å; D111-T116 PolarHBondContact O-N 3.45Å |
| 112 | R | 95.4 | Very high | 95.9 | Very high | 174 Ų | 174 | 57.1 Ų | 57.1 | 66% | 0.657 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.1 | -49.8 | 176.5 | -171.7 | -169.3 | -47.2 | 177.6 | 6 | 111.9 | Q108 L109 I110 R115 | Q108-R112 WeakPolarHBondContact O-CB 3.36Å; Q108-R112 PolarHBondContact O-N 2.91Å; Q108-R112 VanDerWaalsContact O-N 3.1Å; L109-R112 WeakPolarHBondContact O-CB 3.46Å; L109-R112 PolarHBondContact O-N 3.17Å; I110-R112 VanDerWaalsContact C-N 3.29Å; I110-R112 PolarHBondContact O-N 3.44Å; R112-R115 PolarHBondContact O-N 2.88Å |
| 113 | V | 94.8 | Very high | 96 | Very high | 23 Ų | 23 | 54.2 Ų | 54.2 | 14% | 0.139 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.3 | -39.7 | -178.2 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | D79 M82 R83 L109 I110 | D79-V113 WeakPolarHBondContact OD1-CG2 3.24Å; M82-V113 HydrophobicContact CB-CB 4.08Å; M82-V113 HydrophobicContact CB-CG1 3.74Å; M82-V113 HydrophobicContact CB-CG2 4.39Å; M82-V113 HydrophobicContact SD-CB 4.41Å; M82-V113 HydrophobicContact SD-CG2 4.03Å; R83-V113 HydrophobicContact CG-CG1 3.52Å; L109-V113 HydrophobicContact CD1-CG2 4.17Å; L109-V113 HydrophobicContact CG-CG2 4.43Å; L109-V113 WeakPolarHBondContact O-CG2 3.45Å; L109-V113 PolarHBondContact O-N 3.01Å; I110-V113 PolarHBondContact O-N 3.49Å |
| 114 | R | 94.9 | Very high | 96.1 | Very high | 68 Ų | 68 | 54.2 Ų | 54.2 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -78.2 | -19.7 | 179 | -67.6 | -68.3 | -156.7 | 175.4 | -0.6 | 114 | M82 R83 G85 F88 I110 T116 T119 | M82-R114 WeakPolarHBondContact O-CD 3.37Å; M82-R114 PolarHBondContact O-NE 3.38Å; M82-R114 PolarHBondContact O-NH2 2.82Å; R83-R114 PolarHBondContact O-NH1 2.64Å; G85-R114 PolarHBondContact O-NH1 3.45Å; G85-R114 PolarHBondContact O-NH2 3.44Å; F88-R114 VanDerWaalsContact CZ-NH2 3.27Å; I110-R114 HydrophobicContact CG2-CG 3.96Å; I110-R114 WeakPolarHBondContact O-CB 3.44Å; I110-R114 WeakPolarHBondContact O-CG 3.46Å; I110-R114 PolarHBondContact O-N 3.34Å; R114-T116 HydrophobicContact CB-CG2 3.87Å; R114-T116 PolarHBondContact O-N 2.82Å; R114-T119 HydrophobicContact CG-CG2 4.23Å; R114-T119 WeakPolarHBondContact CG-OG1 3.43Å |
| 115 | R | 95.3 | Very high | 96.1 | Very high | 233 Ų | 233 | 49.1 Ų | 49.1 | 88% | 0.879 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 33.8 | -172.3 | -53 | 179 | 179.4 | -175 | -1.1 | 112.2 | D111 R112 | D111-R115 VanDerWaalsContact O-CA 3.25Å; D111-R115 WeakPolarHBondContact O-CA 3.46Å; D111-R115 PolarHBondContact O-N 2.78Å; R112-R115 PolarHBondContact O-N 2.88Å |
| 116 | T | 93.8 | Very high | 96.3 | Very high | 61 Ų | 61 | 44.5 Ų | 44.5 | 37% | 0.374 | 21% | 0.21 | S | C | . | . | trans | -157 | 134.6 | 176.5 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | D111 R114 N118 T119 | D111-T116 PolarHBondContact O-N 3.45Å; R114-T116 HydrophobicContact CB-CG2 3.87Å; R114-T116 PolarHBondContact O-N 2.82Å; T116-N118 PolarHBondContact O-N 3.36Å; T116-N118 PolarHBondContact OG1-N 2.85Å; T116-N118 VanDerWaalsContact OG1-N 3.14Å; T116-T119 PolarHBondContact O-OG1 2.85Å | ||
| 117 | A | 91.5 | Very high | 96.4 | Very high | 57 Ų | 57 | 46.8 Ų | 46.8 | 47% | 0.471 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -15.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K107 T119 | K107-A117 PolarHBondContact NZ-O 2.8Å; A117-T119 PolarHBondContact O-N 2.74Å |
| 118 | N | 91.8 | Very high | 96.5 | Very high | 102 Ų | 102 | 47.1 Ų | 47.1 | 55% | 0.545 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -25.1 | -170.6 | -75.1 | -1.7 | 0 | 0 | 0 | 111.8 | T116 R177 | T116-N118 PolarHBondContact O-N 3.36Å; T116-N118 PolarHBondContact OG1-N 2.85Å; T116-N118 VanDerWaalsContact OG1-N 3.14Å; N118-R177 PolarHBondContact O-NH1 3.02Å; N118-R177 PolarHBondContact O-NH2 2.85Å |
| 119 | T | 96.9 | Very high | 96.6 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 7% | 0.067 | 21% | 0.212 | C | C | . | . | trans | -31.8 | 133 | -171.8 | -49.8 | 0 | 0 | 0 | 0 | 117 | F88 I110 R114 T116 A117 V121 | F88-T119 HydrophobicContact CD2-CG2 3.6Å; F88-T119 HydrophobicContact CE2-CG2 3.43Å; F88-T119 VanDerWaalsContact CE2-CG2 3.43Å; I110-T119 HydrophobicContact CG2-CG2 3.71Å; R114-T119 HydrophobicContact CG-CG2 4.23Å; R114-T119 WeakPolarHBondContact CG-OG1 3.43Å; T116-T119 PolarHBondContact O-OG1 2.85Å; A117-T119 PolarHBondContact O-N 2.74Å; T119-V121 WeakPolarHBondContact O-CG2 3.41Å; T119-V121 PolarHBondContact O-N 3.2Å | ||
| 120 | P | 98.4 | Very high | 96.7 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 7% | 0.065 | 22% | 0.217 | C | C | . | . | trans | -56 | 123.5 | 177.7 | -23.7 | 33.4 | 0 | 0 | 0 | 112.4 | E86 G87 F88 L170 Q173 I174 | E86-P120 WeakPolarHBondContact O-CD 3.35Å; E86-P120 VanDerWaalsContact O-CG 3.31Å; E86-P120 WeakPolarHBondContact O-CG 3.44Å; G87-P120 WeakPolarHBondContact CA-O 3.36Å; F88-P120 PolarHBondContact N-O 3.46Å; P120-L170 HydrophobicContact CB-CD1 3.85Å; P120-Q173 HydrophobicContact CB-CB 4.11Å; P120-I174 HydrophobicContact CB-CG1 4.05Å; P120-I174 HydrophobicContact CG-CG1 4.02Å | ||
| 121 | V | 98.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 146.2 | -178.9 | 173 | 0 | 0 | 0 | 0 | 109.1 | F88 I90 K107 I110 T119 C150 Q173 | F88-V121 HydrophobicContact CB-CG2 4.3Å; F88-V121 CarbonylContact O-C 3.57Å; F88-V121 VanDerWaalsContact O-CA 3.24Å; F88-V121 WeakPolarHBondContact O-CA 3.47Å; I90-V121 HydrophobicContact CD1-CG1 3.82Å; I90-V121 HydrophobicContact CG1-CG1 4.09Å; K107-V121 HydrophobicContact CD-CG2 4.1Å; I110-V121 HydrophobicContact CD1-CG2 4.43Å; T119-V121 WeakPolarHBondContact O-CG2 3.41Å; T119-V121 PolarHBondContact O-N 3.2Å; V121-C150 HydrophobicContact CB-CB 4.23Å; V121-C150 HydrophobicContact CG1-CB 4.31Å; V121-C150 WeakPolarHBondContact O-CB 3.42Å; V121-Q173 PolarHBondContact O-NE2 2.58Å; V121-Q173 PolarHBondContact O-OE1 3Å |
| 122 | V | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.1 | 161.4 | 175.6 | 0 | 0 | 0 | 0 | 107.9 | F88 I89 I90 V124 P151 F153 V166 A169 L170 | F88-V122 PolarHBondContact O-N 3.31Å; I89-V122 WeakPolarHBondContact CA-O 3.13Å; I90-V122 PolarHBondContact N-O 3.01Å; V122-V124 HydrophobicContact CG1-CG2 4.15Å; V122-P151 HydrophobicContact CG2-CB 4.47Å; V122-P151 HydrophobicContact CG2-CG 4.48Å; V122-F153 HydrophobicContact CG1-CD2 3.7Å; V122-F153 HydrophobicContact CG1-CE2 3.97Å; V122-V166 HydrophobicContact CG1-CG1 4.14Å; V122-V166 HydrophobicContact CG1-CG2 4.4Å; V122-A169 HydrophobicContact CG2-CB 4.21Å; V122-L170 HydrophobicContact CG2-CB 3.91Å; V122-L170 HydrophobicContact CG2-CD1 4.25Å |
| 123 | L | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 133.5 | 173.7 | -177.6 | 66.8 | 0 | 0 | 0 | 109.8 | I90 Y92 A103 G141 L144 A145 F148 P151 F152 F153 | I90-L123 HydrophobicContact CB-CD1 4.37Å; I90-L123 HydrophobicContact CG2-CD1 4.41Å; Y92-L123 HydrophobicContact CD1-CD1 3.99Å; Y92-L123 HydrophobicContact CD1-CG 4.42Å; Y92-L123 HydrophobicContact CE1-CD1 4.2Å; Y92-L123 HydrophobicContact CE1-CD2 4.34Å; Y92-L123 HydrophobicContact CE1-CG 4.14Å; A103-L123 HydrophobicContact CB-CD1 4.17Å; L123-G141 WeakPolarHBondContact CD2-O 3.5Å; L123-L144 HydrophobicContact CD1-CD2 4.34Å; L123-L144 HydrophobicContact CD2-CB 3.92Å; L123-L144 HydrophobicContact CD2-CD2 3.96Å; L123-L144 HydrophobicContact CD2-CG 3.96Å; L123-A145 HydrophobicContact CB-CB 4.49Å; L123-A145 HydrophobicContact CD2-CB 4Å; L123-F148 HydrophobicContact CD1-CE2 4.06Å; L123-P151 PolarHBondContact N-O 2.92Å; L123-F152 HydrophobicContact CB-CD2 4.18Å; L123-F152 HydrophobicContact CD2-CD2 3.97Å; L123-F152 HydrophobicContact CD2-CE2 4.43Å; L123-F152 HydrophobicContact CG-CD2 3.95Å; L123-F152 HydrophobicContact CG-CE2 4.43Å; L123-F152 WeakPolarHBondContact O-CA 2.89Å; L123-F153 PolarHBondContact O-N 3.5Å; L123-F153 VanDerWaalsContact O-N 3.12Å |
| 124 | V | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 121.3 | -177.5 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | I29 I89 I90 S91 Y92 V122 N126 F153 T155 V166 | I29-V124 HydrophobicContact CD1-CG1 4.06Å; I89-V124 HydrophobicContact CG2-CB 4.36Å; I89-V124 HydrophobicContact CG2-CG2 3.65Å; I90-V124 PolarHBondContact O-N 3.46Å; S91-V124 CarbonylContact C-O 3.52Å; S91-V124 WeakPolarHBondContact CA-O 3.14Å; Y92-V124 WeakPolarHBondContact CD1-O 3.25Å; Y92-V124 PolarHBondContact N-O 3.13Å; V122-V124 HydrophobicContact CG1-CG2 4.15Å; V124-N126 HydrophobicContact CG1-CB 4.42Å; V124-F153 WeakPolarHBondContact CA-O 3.11Å; V124-T155 HydrophobicContact CG1-CG2 3.61Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.44Å; V124-V166 HydrophobicContact CG2-CB 4.41Å; V124-V166 HydrophobicContact CG2-CG1 3.78Å; V124-V166 HydrophobicContact CG2-CG2 3.66Å |
| 125 | G | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 95 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y92 F153 E154 T155 | Y92-G125 VanDerWaalsContact CE1-CA 3.49Å; Y92-G125 VanDerWaalsContact CZ-CA 3.43Å; G125-F153 PolarHBondContact N-O 3.41Å; G125-E154 CarbonylContact O-C 3.5Å; G125-E154 WeakPolarHBondContact O-CA 3.22Å; G125-T155 PolarHBondContact O-N 3.39Å |
| 126 | N | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 167.3 | -177.1 | -167.9 | 26.8 | 0 | 0 | 0 | 112.3 | V24 I29 Y92 I94 V124 T155 A157 | V24-N126 PolarHBondContact O-ND2 2.74Å; I29-N126 HydrophobicContact CD1-CB 4.06Å; Y92-N126 PolarHBondContact O-N 3.46Å; I94-N126 PolarHBondContact N-O 3.42Å; V124-N126 HydrophobicContact CG1-CB 4.42Å; N126-T155 CarbonylContact C-O 3.55Å; N126-T155 WeakPolarHBondContact CA-OG1 3.36Å; N126-T155 PolarHBondContact OD1-OG1 2.95Å; N126-A157 PolarHBondContact OD1-N 3.38Å |
| 127 | K | 98.4 | Very high | 97.8 | Very high | 59 Ų | 59 | 43 Ų | 43 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | trans | 68.2 | 33.4 | -179.4 | -43.2 | -168.1 | -164.7 | 179 | 0 | 113.5 | G23 S93 I94 T95 D129 L130 T155 | G23-K127 WeakPolarHBondContact O-CE 3.45Å; G23-K127 PolarHBondContact O-NZ 3.12Å; S93-K127 VanDerWaalsContact OG-CD 3.3Å; S93-K127 WeakPolarHBondContact OG-CD 3.31Å; S93-K127 WeakPolarHBondContact OG-CE 3.34Å; I94-K127 VanDerWaalsContact CD1-O 3.3Å; I94-K127 WeakPolarHBondContact CD1-O 3.31Å; I94-K127 VanDerWaalsContact CG1-O 3.28Å; I94-K127 WeakPolarHBondContact CG1-O 3.29Å; T95-K127 HydrophobicContact CG2-CB 4.45Å; K127-D129 WeakPolarHBondContact CA-OD1 3.4Å; K127-D129 PolarHBondContact O-N 2.87Å; K127-D129 VanDerWaalsContact O-N 3.11Å; K127-L130 HydrophobicContact CB-CD1 4.07Å; K127-L130 HydrophobicContact CB-CG 4.3Å; K127-L130 HydrophobicContact CD-CD1 4.08Å; K127-L130 WeakPolarHBondContact O-CB 3.31Å; K127-L130 PolarHBondContact O-N 2.9Å; K127-T155 PolarHBondContact N-O 3.21Å; K127-T155 VanDerWaalsContact N-O 3.12Å | ||
| 128 | S | 98.6 | Very high | 98.1 | Very high | 18 Ų | 18 | 42.2 Ų | 42.2 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.4 | 177.8 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | L130 T131 T155 | S128-L130 VanDerWaalsContact C-N 3.27Å; S128-L130 PolarHBondContact O-N 3.12Å; S128-T131 WeakPolarHBondContact O-CG2 3.4Å; S128-T155 WeakPolarHBondContact CB-O 3.29Å; S128-T155 PolarHBondContact N-O 3.43Å; S128-T155 PolarHBondContact OG-O 3.11Å |
| 129 | D | 98.3 | Very high | 98.5 | Very high | 42 Ų | 42 | 42.2 Ų | 42.2 | 23% | 0.225 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -26.2 | 170.6 | 53.3 | -74.6 | 0 | 0 | 0 | 113.6 | K127 T131 S156 F159 | K127-D129 WeakPolarHBondContact CA-OD1 3.4Å; K127-D129 PolarHBondContact O-N 2.87Å; K127-D129 VanDerWaalsContact O-N 3.11Å; D129-T131 VanDerWaalsContact C-N 3.25Å; D129-T131 PolarHBondContact O-N 2.85Å; D129-T131 VanDerWaalsContact O-N 3.11Å; D129-S156 VanDerWaalsContact CG-OG 3.25Å; D129-S156 VanDerWaalsContact OD1-CB 3.24Å; D129-S156 WeakPolarHBondContact OD1-CB 3.35Å; D129-S156 PolarHBondContact OD1-OG 2.74Å; D129-F159 HydrophobicContact CB-CD2 3.52Å; D129-F159 HydrophobicContact CB-CE2 3.35Å; D129-F159 HydrophobicContact CB-CG 4.37Å; D129-F159 HydrophobicContact CB-CZ 4.09Å |
| 130 | L | 97.9 | Very high | 98.5 | Very high | 49 Ų | 49 | 43.9 Ų | 43.9 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | trans | -89.2 | 49.4 | -179.2 | -56.9 | -177.9 | 0 | 0 | 0 | 112.2 | T95 K127 S128 H132 L133 R134 | T95-L130 HydrophobicContact CG2-CB 3.67Å; T95-L130 HydrophobicContact CG2-CD1 4Å; T95-L130 HydrophobicContact CG2-CG 4.48Å; K127-L130 HydrophobicContact CB-CD1 4.07Å; K127-L130 HydrophobicContact CB-CG 4.3Å; K127-L130 HydrophobicContact CD-CD1 4.08Å; K127-L130 WeakPolarHBondContact O-CB 3.31Å; K127-L130 PolarHBondContact O-N 2.9Å; S128-L130 VanDerWaalsContact C-N 3.27Å; S128-L130 PolarHBondContact O-N 3.12Å; L130-H132 PolarHBondContact O-N 2.97Å; L130-L133 HydrophobicContact CB-CB 4.4Å; L130-L133 HydrophobicContact CD1-CD1 4.39Å; L130-L133 PolarHBondContact O-N 3.48Å; L130-R134 PolarHBondContact O-N 3Å | ||
| 131 | T | 97.2 | Very high | 98.6 | Very high | 93 Ų | 93 | 43.4 Ų | 43.4 | 57% | 0.571 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -55 | -35.6 | -177.6 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | S128 D129 L133 R134 | S128-T131 WeakPolarHBondContact O-CG2 3.4Å; D129-T131 VanDerWaalsContact C-N 3.25Å; D129-T131 PolarHBondContact O-N 2.85Å; D129-T131 VanDerWaalsContact O-N 3.11Å; T131-L133 PolarHBondContact O-N 3.18Å; T131-R134 WeakPolarHBondContact O-CB 3.39Å; T131-R134 PolarHBondContact O-N 3.44Å |
| 132 | H | 98.1 | Very high | 98.6 | Very high | 144 Ų | 144 | 47.5 Ų | 47.5 | 67% | 0.667 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -70.1 | -17 | 178.5 | 61.2 | -77 | 0 | 0 | 0 | 113.9 | L130 | L130-H132 PolarHBondContact O-N 2.97Š|
| 133 | L | 98.4 | Very high | 98.6 | Very high | 93 Ų | 93 | 53 Ų | 53 | 49% | 0.487 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -106.5 | 9.3 | 175.6 | -59.7 | 177 | 0 | 0 | 0 | 112.3 | T95 L130 T131 Q135 | T95-L133 WeakPolarHBondContact CA-O 3.46Å; T95-L133 HydrophobicContact CG2-CB 3.79Å; L130-L133 HydrophobicContact CB-CB 4.4Å; L130-L133 HydrophobicContact CD1-CD1 4.39Å; L130-L133 PolarHBondContact O-N 3.48Å; T131-L133 PolarHBondContact O-N 3.18Å; L133-Q135 PolarHBondContact O-N 3.27Å |
| 134 | R | 98.7 | Very high | 98.5 | Very high | 77 Ų | 77 | 53.2 Ų | 53.2 | 29% | 0.291 | 26% | 0.263 | S | S | . | . | trans | -61.7 | 127.3 | -175.2 | -178.3 | 178.7 | -74.1 | -91.1 | 9 | 111.2 | I94 L130 T131 V136 E154 | I94-R134 HydrophobicContact CD1-CB 4.25Å; I94-R134 HydrophobicContact CD1-CG 4.24Å; I94-R134 VanDerWaalsContact CD1-CZ 3.47Å; L130-R134 PolarHBondContact O-N 3Å; T131-R134 WeakPolarHBondContact O-CB 3.39Å; T131-R134 PolarHBondContact O-N 3.44Å; R134-V136 WeakPolarHBondContact CD-O 3.39Å; R134-V136 WeakPolarHBondContact CG-O 3.37Å; R134-V136 PolarHBondContact NH1-O 3.36Å; R134-E154 IonicContact CZ-OE1 3.71Å; R134-E154 IonicContact CZ-OE2 3.19Å; R134-E154 IonicContact NH1-OE1 3.77Å; R134-E154 PolarHBondContact NH1-OE1 3.41Å; R134-E154 IonicContact NH1-OE2 3.81Å; R134-E154 IonicContact NH2-OE1 2.7Å; R134-E154 PolarHBondContact NH2-OE1 2.58Å; R134-E154 IonicContact NH2-OE2 3.22Å; R134-E154 PolarHBondContact NH2-OE2 3.21Å | ||
| 135 | Q | 98.8 | Very high | 98.5 | Very high | 106 Ų | 106 | 53.5 Ų | 53.5 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | trans | -114.3 | -20.2 | 172.6 | -61 | -174.6 | 16 | 0 | 0 | 112.8 | I94 T95 R97 L133 | I94-Q135 PolarHBondContact O-N 3.28Å; T95-Q135 PolarHBondContact O-NE2 3.24Å; R97-Q135 HydrophobicContact CB-CB 4.43Å; R97-Q135 PolarHBondContact NE-O 2.93Å; R97-Q135 PolarHBondContact NH2-O 2.94Å; L133-Q135 PolarHBondContact O-N 3.27Å | ||
| 136 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -115.5 | 123.2 | 179.2 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | Y92 I94 R97 L100 R134 E140 | Y92-V136 HydrophobicContact CE2-CB 4.1Å; Y92-V136 HydrophobicContact CE2-CG1 3.71Å; Y92-V136 HydrophobicContact CE2-CG2 4.43Å; I94-V136 PolarHBondContact O-N 2.97Å; R97-V136 HydrophobicContact CB-CG2 4.24Å; L100-V136 HydrophobicContact CB-CG2 4.22Å; L100-V136 HydrophobicContact CD1-CG1 4.3Å; L100-V136 HydrophobicContact CD2-CG1 3.74Å; L100-V136 HydrophobicContact CD2-CG2 4.31Å; L100-V136 HydrophobicContact CG-CG1 4.45Å; R134-V136 WeakPolarHBondContact CD-O 3.39Å; R134-V136 WeakPolarHBondContact CG-O 3.37Å; R134-V136 PolarHBondContact NH1-O 3.36Å; V136-E140 HydrophobicContact CG1-CB 3.97Å |
| 137 | S | 98.8 | Very high | 98.5 | Very high | 37 Ų | 37 | 66.6 Ų | 66.6 | 26% | 0.259 | 32% | 0.319 | S | S | . | . | trans | -71.2 | 159.6 | 175.3 | 62.5 | 0 | 0 | 0 | 0 | 111.7 | E139 E140 G141 | S137-E139 PolarHBondContact O-N 3.3Å; S137-E140 PolarHBondContact N-OE2 3.34Å; S137-E140 PolarHBondContact O-N 2.95Å; S137-E140 WeakPolarHBondContact OG-CG 3.34Å; S137-E140 PolarHBondContact OG-N 3.1Å; S137-E140 PolarHBondContact OG-OE2 2.82Å; S137-G141 PolarHBondContact O-N 3.48Å | ||
| 138 | V | 98.6 | Very high | 98.5 | Very high | 40 Ų | 40 | 64.4 Ų | 64.4 | 24% | 0.242 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.6 | -35.5 | 174.6 | -172.4 | 0 | 0 | 0 | 0 | 110 | G141 K142 F152 | V138-G141 PolarHBondContact O-N 3.42Å; V138-K142 HydrophobicContact CG1-CD 4.19Å; V138-K142 WeakPolarHBondContact O-CG 3.17Å; V138-K142 PolarHBondContact O-N 3.14Å; V138-F152 HydrophobicContact CG1-CE1 4.17Å |
| 139 | E | 98.8 | Very high | 98.4 | Very high | 102 Ų | 102 | 71.4 Ų | 71.4 | 48% | 0.477 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 179.6 | -71.7 | 59.2 | -131.7 | 0 | 0 | 111.3 | S137 G141 K142 E143 | S137-E139 PolarHBondContact O-N 3.3Å; E139-G141 VanDerWaalsContact C-N 3.34Å; E139-G141 PolarHBondContact O-N 3.26Å; E139-K142 WeakPolarHBondContact O-CB 3.35Å; E139-K142 PolarHBondContact O-N 3.45Å; E139-E143 WeakPolarHBondContact O-CB 3.3Å; E139-E143 VanDerWaalsContact O-CG 3.31Å; E139-E143 WeakPolarHBondContact O-CG 3.28Å; E139-E143 PolarHBondContact O-N 3.18Å |
| 140 | E | 98.7 | Very high | 98.4 | Very high | 46 Ų | 46 | 70.3 Ų | 70.3 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 176 | -74.9 | 168.7 | 113.5 | 0 | 0 | 112.1 | R97 L100 V136 S137 E143 L144 | R97-E140 IonicContact CZ-OE1 2.79Å; R97-E140 IonicContact NH1-OE1 2.66Å; R97-E140 PolarHBondContact NH1-OE1 3.04Å; R97-E140 VanDerWaalsContact NH2-CD 3.31Å; R97-E140 IonicContact NH2-OE1 3.33Å; R97-E140 PolarHBondContact NH2-OE1 3.06Å; R97-E140 IonicContact NH2-OE2 3.89Å; R97-E140 PolarHBondContact NH2-OE2 3.28Å; L100-E140 HydrophobicContact CD2-CB 4.25Å; V136-E140 HydrophobicContact CG1-CB 3.97Å; S137-E140 PolarHBondContact N-OE2 3.34Å; S137-E140 PolarHBondContact O-N 2.95Å; S137-E140 WeakPolarHBondContact OG-CG 3.34Å; S137-E140 PolarHBondContact OG-N 3.1Å; S137-E140 PolarHBondContact OG-OE2 2.82Å; E140-E143 PolarHBondContact O-N 2.61Å; E140-L144 PolarHBondContact O-N 2.91Å |
| 141 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y92 L123 S137 V138 E139 E143 L144 A145 | Y92-G141 WeakPolarHBondContact OH-CA 3.4Å; L123-G141 WeakPolarHBondContact CD2-O 3.5Å; S137-G141 PolarHBondContact O-N 3.48Å; V138-G141 PolarHBondContact O-N 3.42Å; E139-G141 VanDerWaalsContact C-N 3.34Å; E139-G141 PolarHBondContact O-N 3.26Å; G141-E143 PolarHBondContact O-N 2.77Å; G141-L144 PolarHBondContact O-N 2.93Å; G141-A145 WeakPolarHBondContact O-CB 3.41Å; G141-A145 PolarHBondContact O-N 3.03Å |
| 142 | K | 98.8 | Very high | 98.6 | Very high | 89 Ų | 89 | 67.5 Ų | 67.5 | 39% | 0.387 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 175.5 | -74 | 169.3 | 178.5 | 162.9 | 0 | 112.2 | V138 E139 A145 R146 F152 | V138-K142 HydrophobicContact CG1-CD 4.19Å; V138-K142 WeakPolarHBondContact O-CG 3.17Å; V138-K142 PolarHBondContact O-N 3.14Å; E139-K142 WeakPolarHBondContact O-CB 3.35Å; E139-K142 PolarHBondContact O-N 3.45Å; K142-A145 PolarHBondContact O-N 2.86Å; K142-R146 WeakPolarHBondContact O-CG 3.12Å; K142-R146 PolarHBondContact O-N 2.85Å; K142-F152 HydrophobicContact CG-CD1 3.73Å; K142-F152 HydrophobicContact CG-CE1 4Å |
| 143 | E | 98.8 | Very high | 98.6 | Very high | 114 Ų | 114 | 62.8 Ų | 62.8 | 53% | 0.533 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 176.9 | -76.5 | 173.5 | -176.5 | 0 | 0 | 111.4 | E139 E140 G141 A145 R146 E147 | E139-E143 WeakPolarHBondContact O-CB 3.3Å; E139-E143 VanDerWaalsContact O-CG 3.31Å; E139-E143 WeakPolarHBondContact O-CG 3.28Å; E139-E143 PolarHBondContact O-N 3.18Å; E140-E143 PolarHBondContact O-N 2.61Å; G141-E143 PolarHBondContact O-N 2.77Å; E143-A145 VanDerWaalsContact C-N 3.31Å; E143-A145 PolarHBondContact O-N 2.89Å; E143-R146 WeakPolarHBondContact O-CB 3.23Å; E143-R146 PolarHBondContact O-N 3.06Å; E143-E147 PolarHBondContact O-N 2.8Å |
| 144 | L | 98.7 | Very high | 98.6 | Very high | 6 Ų | 6 | 59.9 Ų | 59.9 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 176 | -172.1 | 62.9 | 0 | 0 | 0 | 111.8 | L100 A103 R104 L123 E140 G141 R146 E147 F148 | L100-L144 HydrophobicContact CD1-CD2 3.5Å; L100-L144 HydrophobicContact CG-CD2 4Å; A103-L144 HydrophobicContact CB-CD2 4.34Å; R104-L144 HydrophobicContact CB-CD1 4.24Å; R104-L144 HydrophobicContact CG-CD1 4.41Å; L123-L144 HydrophobicContact CD1-CD2 4.34Å; L123-L144 HydrophobicContact CD2-CB 3.92Å; L123-L144 HydrophobicContact CD2-CD2 3.96Å; L123-L144 HydrophobicContact CD2-CG 3.96Å; E140-L144 PolarHBondContact O-N 2.91Å; G141-L144 PolarHBondContact O-N 2.93Å; L144-R146 VanDerWaalsContact C-N 3.34Å; L144-R146 PolarHBondContact O-N 3.14Å; L144-E147 WeakPolarHBondContact CD1-OE2 3.25Å; L144-E147 WeakPolarHBondContact O-CB 3.42Å; L144-E147 PolarHBondContact O-N 2.8Å; L144-F148 HydrophobicContact CD1-CD1 4.18Å; L144-F148 HydrophobicContact CD1-CE1 3.38Å; L144-F148 HydrophobicContact CD1-CE2 4.42Å; L144-F148 HydrophobicContact CD1-CZ 3.5Å; L144-F148 HydrophobicContact CD2-CE2 4.21Å; L144-F148 HydrophobicContact CD2-CZ 3.83Å; L144-F148 HydrophobicContact CG-CD1 4.43Å; L144-F148 HydrophobicContact CG-CE1 3.81Å; L144-F148 HydrophobicContact CG-CE2 3.98Å; L144-F148 HydrophobicContact CG-CZ 3.53Å; L144-F148 WeakPolarHBondContact O-CD1 3.32Å; L144-F148 WeakPolarHBondContact O-CG 3.23Å; L144-F148 PolarHBondContact O-N 2.89Å |
| 145 | A | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.6 | -35.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L123 G141 K142 E143 F148 Q149 C150 F152 | L123-A145 HydrophobicContact CB-CB 4.49Å; L123-A145 HydrophobicContact CD2-CB 4Å; G141-A145 WeakPolarHBondContact O-CB 3.41Å; G141-A145 PolarHBondContact O-N 3.03Å; K142-A145 PolarHBondContact O-N 2.86Å; E143-A145 VanDerWaalsContact C-N 3.31Å; E143-A145 PolarHBondContact O-N 2.89Å; A145-F148 CarbonylContact O-C 3.52Å; A145-F148 PolarHBondContact O-N 3.33Å; A145-Q149 PolarHBondContact O-N 2.88Å; A145-C150 PolarHBondContact O-N 3.43Å; A145-F152 HydrophobicContact CB-CB 3.54Å; A145-F152 HydrophobicContact CB-CG 4.23Å |
| 146 | R | 98.6 | Very high | 98.6 | Very high | 174 Ų | 174 | 51.2 Ų | 51.2 | 66% | 0.657 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.7 | -42 | 171.6 | -70.7 | 173.2 | -165.6 | 144.6 | 0.7 | 111.3 | K142 E143 L144 F148 Q149 | K142-R146 WeakPolarHBondContact O-CG 3.12Å; K142-R146 PolarHBondContact O-N 2.85Å; E143-R146 WeakPolarHBondContact O-CB 3.23Å; E143-R146 PolarHBondContact O-N 3.06Å; L144-R146 VanDerWaalsContact C-N 3.34Å; L144-R146 PolarHBondContact O-N 3.14Å; R146-F148 VanDerWaalsContact C-N 3.27Å; R146-F148 PolarHBondContact O-N 3.38Å; R146-Q149 PolarHBondContact O-N 2.95Å; R146-Q149 VanDerWaalsContact O-N 3.13Å |
| 147 | E | 98 | Very high | 98.5 | Very high | 104 Ų | 104 | 51.3 Ų | 51.3 | 49% | 0.486 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.2 | -42.5 | 173 | -174.4 | -171 | 152 | 0 | 0 | 110.8 | R104 E143 L144 Q149 | R104-E147 IonicContact CZ-OE2 3.51Å; R104-E147 IonicContact NE-OE1 3.79Å; R104-E147 PolarHBondContact NE-OE1 2.86Å; R104-E147 IonicContact NE-OE2 3.13Å; R104-E147 PolarHBondContact NE-OE2 2.78Å; R104-E147 IonicContact NH2-OE2 3.07Å; R104-E147 PolarHBondContact NH2-OE2 2.7Å; E143-E147 PolarHBondContact O-N 2.8Å; L144-E147 WeakPolarHBondContact CD1-OE2 3.25Å; L144-E147 WeakPolarHBondContact O-CB 3.42Å; L144-E147 PolarHBondContact O-N 2.8Å; E147-Q149 VanDerWaalsContact C-N 3.3Å; E147-Q149 PolarHBondContact O-N 3.32Å |
| 148 | F | 98 | Very high | 98.4 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 6% | 0.057 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -79 | -11.8 | 179.1 | -66.5 | 3.2 | 0 | 0 | 0 | 114 | I90 R104 K107 L123 L144 A145 R146 C150 | I90-F148 HydrophobicContact CD1-CE2 4.33Å; R104-F148 HydrophobicContact CB-CZ 4.34Å; R104-F148 HydrophobicContact CG-CE1 4.36Å; K107-F148 HydrophobicContact CB-CD1 4.09Å; K107-F148 HydrophobicContact CB-CD2 4.15Å; K107-F148 HydrophobicContact CB-CE1 3.72Å; K107-F148 HydrophobicContact CB-CE2 3.77Å; K107-F148 HydrophobicContact CB-CG 4.32Å; K107-F148 HydrophobicContact CB-CZ 3.58Å; K107-F148 HydrophobicContact CD-CD2 4.33Å; K107-F148 HydrophobicContact CD-CG 4.23Å; K107-F148 HydrophobicContact CG-CD1 3.67Å; K107-F148 HydrophobicContact CG-CD2 4.08Å; K107-F148 HydrophobicContact CG-CE1 3.82Å; K107-F148 HydrophobicContact CG-CE2 4.2Å; K107-F148 HydrophobicContact CG-CG 3.83Å; K107-F148 HydrophobicContact CG-CZ 4.11Å; L123-F148 HydrophobicContact CD1-CE2 4.06Å; L144-F148 HydrophobicContact CD1-CD1 4.18Å; L144-F148 HydrophobicContact CD1-CE1 3.38Å; L144-F148 HydrophobicContact CD1-CE2 4.42Å; L144-F148 HydrophobicContact CD1-CZ 3.5Å; L144-F148 HydrophobicContact CD2-CE2 4.21Å; L144-F148 HydrophobicContact CD2-CZ 3.83Å; L144-F148 HydrophobicContact CG-CD1 4.43Å; L144-F148 HydrophobicContact CG-CE1 3.81Å; L144-F148 HydrophobicContact CG-CE2 3.98Å; L144-F148 HydrophobicContact CG-CZ 3.53Å; L144-F148 WeakPolarHBondContact O-CD1 3.32Å; L144-F148 WeakPolarHBondContact O-CG 3.23Å; L144-F148 PolarHBondContact O-N 2.89Å; A145-F148 CarbonylContact O-C 3.52Å; A145-F148 PolarHBondContact O-N 3.33Å; R146-F148 VanDerWaalsContact C-N 3.27Å; R146-F148 PolarHBondContact O-N 3.38Å; F148-C150 VanDerWaalsContact C-N 3.3Å; F148-C150 HydrophobicContact CB-CB 4.2Å; F148-C150 VanDerWaalsContact CB-SG 3.53Å; F148-C150 PolarHBondContact O-N 2.82Å |
| 149 | Q | 97.8 | Very high | 98.4 | Very high | 165 Ų | 165 | 54.9 Ų | 54.9 | 77% | 0.771 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 44.7 | -170.6 | -52 | -175.8 | -85.9 | 0 | 0 | 112.7 | A145 R146 E147 | A145-Q149 PolarHBondContact O-N 2.88Å; R146-Q149 PolarHBondContact O-N 2.95Å; R146-Q149 VanDerWaalsContact O-N 3.13Å; E147-Q149 VanDerWaalsContact C-N 3.3Å; E147-Q149 PolarHBondContact O-N 3.32Å |
| 150 | C | 98.5 | Very high | 98.3 | Very high | 19 Ų | 19 | 52.6 Ų | 52.6 | 13% | 0.128 | 25% | 0.245 | C | C | . | . | trans | -131.2 | 160.5 | -174.8 | 76.4 | 0 | 0 | 0 | 0 | 112.8 | V121 A145 F148 | V121-C150 HydrophobicContact CB-CB 4.23Å; V121-C150 HydrophobicContact CG1-CB 4.31Å; V121-C150 WeakPolarHBondContact O-CB 3.42Å; A145-C150 PolarHBondContact O-N 3.43Å; F148-C150 VanDerWaalsContact C-N 3.3Å; F148-C150 HydrophobicContact CB-CB 4.2Å; F148-C150 VanDerWaalsContact CB-SG 3.53Å; F148-C150 PolarHBondContact O-N 2.82Å | ||
| 151 | P | 98.6 | Very high | 98.3 | Very high | 46 Ų | 46 | 56.4 Ų | 56.4 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | trans | -62.4 | 150.6 | 169.8 | -22.3 | 35.3 | 0 | 0 | 0 | 112.5 | V122 L123 F153 Q173 | V122-P151 HydrophobicContact CG2-CB 4.47Å; V122-P151 HydrophobicContact CG2-CG 4.48Å; L123-P151 PolarHBondContact N-O 2.92Å; P151-F153 HydrophobicContact CB-CE2 3.92Å; P151-Q173 VanDerWaalsContact CG-NE2 3.32Å | ||
| 152 | F | 98.8 | Very high | 98.3 | Very high | 38 Ų | 38 | 62.6 Ų | 62.6 | 17% | 0.167 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 136.5 | 178 | 174.8 | -117.2 | 0 | 0 | 0 | 111.3 | Y92 L123 V138 K142 A145 E154 | Y92-F152 AromaticContact CE1-CE2 3.94Å; Y92-F152 HydrophobicContact CE1-CE2 3.94Å; Y92-F152 WeakPolarHBondContact OH-CE2 3.47Å; Y92-F152 WeakPolarHBondContact OH-CZ 3.28Å; L123-F152 HydrophobicContact CB-CD2 4.18Å; L123-F152 HydrophobicContact CD2-CD2 3.97Å; L123-F152 HydrophobicContact CD2-CE2 4.43Å; L123-F152 HydrophobicContact CG-CD2 3.95Å; L123-F152 HydrophobicContact CG-CE2 4.43Å; L123-F152 WeakPolarHBondContact O-CA 2.89Å; V138-F152 HydrophobicContact CG1-CE1 4.17Å; K142-F152 HydrophobicContact CG-CD1 3.73Å; K142-F152 HydrophobicContact CG-CE1 4Å; A145-F152 HydrophobicContact CB-CB 3.54Å; A145-F152 HydrophobicContact CB-CG 4.23Å; F152-E154 HydrophobicContact CE1-CG 3.95Å; F152-E154 HydrophobicContact CE2-CG 4.49Å; F152-E154 HydrophobicContact CZ-CG 3.56Å |
| 153 | F | 98.9 | Very high | 98.3 | Very high | 45 Ų | 45 | 58.3 Ų | 58.3 | 20% | 0.197 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 134.4 | 172.6 | -60.4 | -91.4 | 0 | 0 | 0 | 109.7 | V122 L123 V124 G125 P151 T155 Y162 E165 V166 A169 | V122-F153 HydrophobicContact CG1-CD2 3.7Å; V122-F153 HydrophobicContact CG1-CE2 3.97Å; L123-F153 PolarHBondContact O-N 3.5Å; L123-F153 VanDerWaalsContact O-N 3.12Å; V124-F153 WeakPolarHBondContact CA-O 3.11Å; G125-F153 PolarHBondContact N-O 3.41Å; P151-F153 HydrophobicContact CB-CE2 3.92Å; F153-T155 HydrophobicContact CB-CG2 4.13Å; F153-Y162 HydrophobicContact CD1-CD1 4.1Å; F153-Y162 HydrophobicContact CD1-CG 4.27Å; F153-E165 HydrophobicContact CD1-CB 4.38Å; F153-E165 HydrophobicContact CE1-CB 3.91Å; F153-E165 HydrophobicContact CZ-CB 4.36Å; F153-V166 HydrophobicContact CB-CG2 3.78Å; F153-V166 HydrophobicContact CD2-CG2 3.71Å; F153-V166 HydrophobicContact CE2-CG2 4.5Å; F153-V166 HydrophobicContact CG-CG2 3.81Å; F153-A169 HydrophobicContact CE2-CB 3.86Å; F153-A169 HydrophobicContact CZ-CB 4.02Å |
| 154 | E | 98.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 56.1 Ų | 56.1 | 15% | 0.15 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 124 | 157.7 | -72 | -156.4 | 154 | 0 | 0 | 108.5 | G125 R134 F152 Y162 | G125-E154 CarbonylContact O-C 3.5Å; G125-E154 WeakPolarHBondContact O-CA 3.22Å; R134-E154 IonicContact CZ-OE1 3.71Å; R134-E154 IonicContact CZ-OE2 3.19Å; R134-E154 IonicContact NH1-OE1 3.77Å; R134-E154 PolarHBondContact NH1-OE1 3.41Å; R134-E154 IonicContact NH1-OE2 3.81Å; R134-E154 IonicContact NH2-OE1 2.7Å; R134-E154 PolarHBondContact NH2-OE1 2.58Å; R134-E154 IonicContact NH2-OE2 3.22Å; R134-E154 PolarHBondContact NH2-OE2 3.21Å; F152-E154 HydrophobicContact CE1-CG 3.95Å; F152-E154 HydrophobicContact CE2-CG 4.49Å; F152-E154 HydrophobicContact CZ-CG 3.56Å; E154-Y162 WeakPolarHBondContact O-CD2 3.34Å |
| 155 | T | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | trans | -115.5 | 161 | -175.5 | 60.4 | 0 | 0 | 0 | 0 | 111 | V124 G125 N126 K127 S128 F153 Y161 I163 V166 | V124-T155 HydrophobicContact CG1-CG2 3.61Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.44Å; G125-T155 PolarHBondContact O-N 3.39Å; N126-T155 CarbonylContact C-O 3.55Å; N126-T155 WeakPolarHBondContact CA-OG1 3.36Å; N126-T155 PolarHBondContact OD1-OG1 2.95Å; K127-T155 PolarHBondContact N-O 3.21Å; K127-T155 VanDerWaalsContact N-O 3.12Å; S128-T155 WeakPolarHBondContact CB-O 3.29Å; S128-T155 PolarHBondContact N-O 3.43Å; S128-T155 PolarHBondContact OG-O 3.11Å; F153-T155 HydrophobicContact CB-CG2 4.13Å; T155-Y161 VanDerWaalsContact CA-O 3.26Å; T155-Y161 WeakPolarHBondContact CA-O 3.33Å; T155-Y161 WeakPolarHBondContact CB-O 3.22Å; T155-I163 HydrophobicContact CG2-CD1 4.49Å; T155-V166 HydrophobicContact CG2-CG2 3.78Å | ||
| 156 | S | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -131.8 | 110.1 | 163.4 | 174.6 | 0 | 0 | 0 | 0 | 107.6 | D129 A158 F159 R160 Y161 | D129-S156 VanDerWaalsContact CG-OG 3.25Å; D129-S156 VanDerWaalsContact OD1-CB 3.24Å; D129-S156 WeakPolarHBondContact OD1-CB 3.35Å; D129-S156 PolarHBondContact OD1-OG 2.74Å; S156-A158 PolarHBondContact O-N 2.84Å; S156-A158 PolarHBondContact OG-N 2.7Å; S156-F159 PolarHBondContact O-N 3.38Å; S156-F159 PolarHBondContact OG-N 2.95Å; S156-R160 CarbonylContact O-C 3.48Å; S156-R160 VanDerWaalsContact O-CA 3.24Å; S156-R160 WeakPolarHBondContact O-CA 3.27Å; S156-R160 PolarHBondContact O-N 3Å; S156-Y161 PolarHBondContact N-O 3.23Å; S156-Y161 PolarHBondContact O-N 2.95Å |
| 157 | A | 97.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 2% | 0.017 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -33.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A28 I29 Q32 F38 N126 | A28-A157 HydrophobicContact CB-CB 3.77Å; I29-A157 HydrophobicContact CG1-CB 4.15Å; Q32-A157 WeakPolarHBondContact CG-O 3.34Å; Q32-A157 PolarHBondContact NE2-O 3.03Å; F38-A157 HydrophobicContact CD2-CB 4.09Å; F38-A157 HydrophobicContact CE2-CB 4.08Å; N126-A157 PolarHBondContact OD1-N 3.38Å |
| 158 | A | 96.6 | Very high | 98.2 | Very high | 33 Ų | 33 | 47.2 Ų | 47.2 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -43.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F38 S156 | F38-A158 HydrophobicContact CD2-CB 4.23Å; F38-A158 HydrophobicContact CE2-CB 4.19Å; F38-A158 HydrophobicContact CG-CB 4.45Å; F38-A158 HydrophobicContact CZ-CB 4.38Å; S156-A158 PolarHBondContact O-N 2.84Å; S156-A158 PolarHBondContact OG-N 2.7Å |
| 159 | F | 97.2 | Very high | 98.2 | Very high | 119 Ų | 119 | 47.1 Ų | 47.1 | 52% | 0.522 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 6.1 | -177.4 | -60.2 | -23 | 0 | 0 | 0 | 114.5 | D129 S156 Y161 | D129-F159 HydrophobicContact CB-CD2 3.52Å; D129-F159 HydrophobicContact CB-CE2 3.35Å; D129-F159 HydrophobicContact CB-CG 4.37Å; D129-F159 HydrophobicContact CB-CZ 4.09Å; S156-F159 PolarHBondContact O-N 3.38Å; S156-F159 PolarHBondContact OG-N 2.95Å; F159-Y161 HydrophobicContact CB-CD1 4Å; F159-Y161 HydrophobicContact CB-CD2 4.04Å; F159-Y161 HydrophobicContact CB-CE1 3.77Å; F159-Y161 HydrophobicContact CB-CE2 3.81Å; F159-Y161 HydrophobicContact CB-CG 4.13Å; F159-Y161 HydrophobicContact CD2-CD2 4.45Å; F159-Y161 AromaticContact CD2-CE2 3.74Å; F159-Y161 HydrophobicContact CD2-CE2 3.74Å; F159-Y161 AromaticContact CD2-CZ 4Å; F159-Y161 HydrophobicContact CG-CE2 4.28Å; F159-Y161 WeakPolarHBondContact O-CD1 3.21Å; F159-Y161 PolarHBondContact O-N 3.4Å |
| 160 | R | 97.3 | Very high | 98.2 | Very high | 53 Ų | 53 | 39.3 Ų | 39.3 | 20% | 0.2 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 28 | -176 | -157.4 | -165.3 | 177 | 79 | 5.2 | 114.1 | Q32 H36 S156 Y162 I163 D164 | Q32-R160 HydrophobicContact CG-CB 4.08Å; Q32-R160 HydrophobicContact CG-CG 3.78Å; Q32-R160 PolarHBondContact O-NH1 3.42Å; H36-R160 PolarHBondContact CE1-NH2 3.39Å; H36-R160 PolarHBondContact ND1-NH1 2.96Å; H36-R160 PolarHBondContact ND1-NH2 3.35Å; S156-R160 CarbonylContact O-C 3.48Å; S156-R160 VanDerWaalsContact O-CA 3.24Å; S156-R160 WeakPolarHBondContact O-CA 3.27Å; S156-R160 PolarHBondContact O-N 3Å; R160-Y162 PolarHBondContact O-N 3.45Å; R160-I163 HydrophobicContact CG-CB 4.23Å; R160-I163 HydrophobicContact CG-CG1 4.15Å; R160-D164 IonicContact CZ-OD1 2.85Å; R160-D164 IonicContact CZ-OD2 2.65Å; R160-D164 IonicContact NE-OD2 2.69Å; R160-D164 PolarHBondContact NE-OD2 2.85Å; R160-D164 VanDerWaalsContact NE-OD2 3.13Å; R160-D164 VanDerWaalsContact NH2-CG 3.34Å; R160-D164 IonicContact NH2-OD1 3.93Å; R160-D164 PolarHBondContact NH2-OD1 2.81Å; R160-D164 IonicContact NH2-OD2 3.06Å; R160-D164 PolarHBondContact NH2-OD2 2.7Å |
| 161 | Y | 98.4 | Very high | 98.2 | Very high | 126 Ų | 126 | 38.4 Ų | 38.4 | 49% | 0.494 | 18% | 0.182 | S | C | . | . | B | Isolated β-bridge | trans | -74.2 | 125.6 | 178.3 | -62.5 | -20.3 | 0 | 0 | 0 | 111.1 | T155 S156 F159 I163 | T155-Y161 VanDerWaalsContact CA-O 3.26Å; T155-Y161 WeakPolarHBondContact CA-O 3.33Å; T155-Y161 WeakPolarHBondContact CB-O 3.22Å; S156-Y161 PolarHBondContact N-O 3.23Å; S156-Y161 PolarHBondContact O-N 2.95Å; F159-Y161 HydrophobicContact CB-CD1 4Å; F159-Y161 HydrophobicContact CB-CD2 4.04Å; F159-Y161 HydrophobicContact CB-CE1 3.77Å; F159-Y161 HydrophobicContact CB-CE2 3.81Å; F159-Y161 HydrophobicContact CB-CG 4.13Å; F159-Y161 HydrophobicContact CD2-CD2 4.45Å; F159-Y161 AromaticContact CD2-CE2 3.74Å; F159-Y161 HydrophobicContact CD2-CE2 3.74Å; F159-Y161 AromaticContact CD2-CZ 4Å; F159-Y161 HydrophobicContact CG-CE2 4.28Å; F159-Y161 WeakPolarHBondContact O-CD1 3.21Å; F159-Y161 PolarHBondContact O-N 3.4Å; Y161-I163 PolarHBondContact O-N 2.99Å; Y161-I163 VanDerWaalsContact O-N 3.13Å |
| 162 | Y | 98.4 | Very high | 98.2 | Very high | 130 Ų | 130 | 41.5 Ų | 41.5 | 51% | 0.51 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 16 | 175.8 | -62 | -72.2 | 0 | 0 | 0 | 116.3 | F153 E154 R160 E165 V166 | F153-Y162 HydrophobicContact CD1-CD1 4.1Å; F153-Y162 HydrophobicContact CD1-CG 4.27Å; E154-Y162 WeakPolarHBondContact O-CD2 3.34Å; R160-Y162 PolarHBondContact O-N 3.45Å; Y162-E165 VanDerWaalsContact C-OE2 3.22Å; Y162-E165 WeakPolarHBondContact CA-OE2 3.43Å; Y162-E165 HydrophobicContact CD1-CB 4.47Å; Y162-E165 HydrophobicContact CD1-CG 4.28Å; Y162-V166 WeakPolarHBondContact O-CG2 3.41Å; Y162-V166 PolarHBondContact O-N 2.85Å |
| 163 | I | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.5 | -50.9 | -175.8 | -61.9 | -63.5 | 0 | 0 | 0 | 110.4 | I29 Q32 F33 T155 R160 Y161 E165 V166 F167 | I29-I163 HydrophobicContact CB-CD1 4.38Å; I29-I163 HydrophobicContact CG1-CD1 4.09Å; I29-I163 HydrophobicContact CG2-CD1 4.07Å; Q32-I163 HydrophobicContact CG-CG1 4.02Å; Q32-I163 HydrophobicContact CG-CG2 4.38Å; F33-I163 HydrophobicContact CB-CG2 3.61Å; F33-I163 HydrophobicContact CD2-CG2 4.37Å; F33-I163 HydrophobicContact CG-CG2 4.45Å; T155-I163 HydrophobicContact CG2-CD1 4.49Å; R160-I163 HydrophobicContact CG-CB 4.23Å; R160-I163 HydrophobicContact CG-CG1 4.15Å; Y161-I163 PolarHBondContact O-N 2.99Å; Y161-I163 VanDerWaalsContact O-N 3.13Å; I163-E165 VanDerWaalsContact C-N 3.32Å; I163-E165 PolarHBondContact O-N 2.65Å; I163-V166 PolarHBondContact O-N 2.8Å; I163-F167 HydrophobicContact CG2-CE2 4.3Å; I163-F167 VanDerWaalsContact O-CD2 3.25Å; I163-F167 WeakPolarHBondContact O-CD2 3.11Å |
| 164 | D | 97.4 | Very high | 98.1 | Very high | 67 Ų | 67 | 39.1 Ų | 39.1 | 36% | 0.358 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.7 | -36.3 | -177.2 | -62.6 | -50.2 | 0 | 0 | 0 | 111.5 | F33 R160 V166 F167 A168 | F33-D164 WeakPolarHBondContact CD2-OD1 3.37Å; R160-D164 IonicContact CZ-OD1 2.85Å; R160-D164 IonicContact CZ-OD2 2.65Å; R160-D164 IonicContact NE-OD2 2.69Å; R160-D164 PolarHBondContact NE-OD2 2.85Å; R160-D164 VanDerWaalsContact NE-OD2 3.13Å; R160-D164 VanDerWaalsContact NH2-CG 3.34Å; R160-D164 IonicContact NH2-OD1 3.93Å; R160-D164 PolarHBondContact NH2-OD1 2.81Å; R160-D164 IonicContact NH2-OD2 3.06Å; R160-D164 PolarHBondContact NH2-OD2 2.7Å; D164-V166 PolarHBondContact O-N 2.92Å; D164-F167 PolarHBondContact O-N 3.11Å; D164-A168 WeakPolarHBondContact O-CB 3.47Å; D164-A168 PolarHBondContact O-N 2.95Å |
| 165 | E | 98.4 | Very high | 98 | Very high | 88 Ų | 88 | 39.1 Ų | 39.1 | 41% | 0.411 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64 | -36.5 | 179.1 | -68.1 | 82.6 | 169.5 | 0 | 0 | 112.7 | F153 Y162 I163 A169 | F153-E165 HydrophobicContact CD1-CB 4.38Å; F153-E165 HydrophobicContact CE1-CB 3.91Å; F153-E165 HydrophobicContact CZ-CB 4.36Å; Y162-E165 VanDerWaalsContact C-OE2 3.22Å; Y162-E165 WeakPolarHBondContact CA-OE2 3.43Å; Y162-E165 HydrophobicContact CD1-CB 4.47Å; Y162-E165 HydrophobicContact CD1-CG 4.28Å; I163-E165 VanDerWaalsContact C-N 3.32Å; I163-E165 PolarHBondContact O-N 2.65Å; E165-A169 WeakPolarHBondContact O-CB 3.38Å; E165-A169 PolarHBondContact O-N 3.14Å |
| 166 | V | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.8 | -51 | 176.6 | 163.6 | 0 | 0 | 0 | 0 | 110.9 | I89 V122 V124 F153 T155 Y162 I163 D164 A169 L170 | I89-V166 HydrophobicContact CD1-CG1 3.61Å; I89-V166 HydrophobicContact CG1-CG1 4.01Å; I89-V166 HydrophobicContact CG2-CG1 3.94Å; V122-V166 HydrophobicContact CG1-CG1 4.14Å; V122-V166 HydrophobicContact CG1-CG2 4.4Å; V124-V166 HydrophobicContact CG2-CB 4.41Å; V124-V166 HydrophobicContact CG2-CG1 3.78Å; V124-V166 HydrophobicContact CG2-CG2 3.66Å; F153-V166 HydrophobicContact CB-CG2 3.78Å; F153-V166 HydrophobicContact CD2-CG2 3.71Å; F153-V166 HydrophobicContact CE2-CG2 4.5Å; F153-V166 HydrophobicContact CG-CG2 3.81Å; T155-V166 HydrophobicContact CG2-CG2 3.78Å; Y162-V166 WeakPolarHBondContact O-CG2 3.41Å; Y162-V166 PolarHBondContact O-N 2.85Å; I163-V166 PolarHBondContact O-N 2.8Å; D164-V166 PolarHBondContact O-N 2.92Å; V166-A169 PolarHBondContact O-N 3.23Å; V166-L170 PolarHBondContact O-N 2.93Å; V166-L170 VanDerWaalsContact O-N 3.11Å |
| 167 | F | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.5 | -42 | -179.9 | -69.8 | -84.6 | 0 | 0 | 0 | 111.1 | L16 M18 I29 F33 L63 I65 I89 I163 D164 A169 L170 V171 | L16-F167 HydrophobicContact CD1-CD1 3.88Å; M18-F167 HydrophobicContact SD-CE1 4.36Å; M18-F167 HydrophobicContact SD-CZ 4.23Å; I29-F167 HydrophobicContact CG2-CE2 3.87Å; I29-F167 HydrophobicContact CG2-CZ 4.11Å; F33-F167 HydrophobicContact CB-CD2 3.95Å; F33-F167 HydrophobicContact CB-CE2 3.48Å; F33-F167 VanDerWaalsContact CB-CE2 3.48Å; F33-F167 HydrophobicContact CB-CZ 4.08Å; F33-F167 HydrophobicContact CD1-CD1 4.14Å; F33-F167 AromaticContact CD1-CD2 3.85Å; F33-F167 HydrophobicContact CD1-CD2 3.85Å; F33-F167 HydrophobicContact CD1-CE1 4.09Å; F33-F167 AromaticContact CD1-CE2 3.82Å; F33-F167 HydrophobicContact CD1-CE2 3.82Å; F33-F167 HydrophobicContact CD1-CG 4.04Å; F33-F167 AromaticContact CD1-CZ 3.94Å; F33-F167 HydrophobicContact CD1-CZ 3.94Å; F33-F167 HydrophobicContact CD2-CB 4.38Å; F33-F167 AromaticContact CD2-CD2 3.44Å; F33-F167 HydrophobicContact CD2-CD2 3.44Å; F33-F167 VanDerWaalsContact CD2-CD2 3.44Å; F33-F167 AromaticContact CD2-CE2 3.93Å; F33-F167 HydrophobicContact CD2-CE2 3.93Å; F33-F167 HydrophobicContact CD2-CG 4.01Å; F33-F167 HydrophobicContact CE1-CB 4.42Å; F33-F167 HydrophobicContact CE1-CD1 4.04Å; F33-F167 HydrophobicContact CE1-CD2 4.2Å; F33-F167 HydrophobicContact CE1-CE1 4.37Å; F33-F167 AromaticContact CE1-CG 3.96Å; F33-F167 HydrophobicContact CE1-CG 3.96Å; F33-F167 HydrophobicContact CE2-CB 3.86Å; F33-F167 AromaticContact CE2-CD2 3.82Å; F33-F167 HydrophobicContact CE2-CD2 3.82Å; F33-F167 AromaticContact CE2-CG 3.91Å; F33-F167 HydrophobicContact CE2-CG 3.91Å; F33-F167 AromaticContact CG-CD2 3.46Å; F33-F167 HydrophobicContact CG-CD2 3.46Å; F33-F167 VanDerWaalsContact CG-CD2 3.46Å; F33-F167 AromaticContact CG-CE2 3.46Å; F33-F167 HydrophobicContact CG-CE2 3.46Å; F33-F167 VanDerWaalsContact CG-CE2 3.46Å; F33-F167 HydrophobicContact CG-CG 4.07Å; F33-F167 HydrophobicContact CG-CZ 4.04Å; F33-F167 HydrophobicContact CZ-CB 3.89Å; F33-F167 HydrophobicContact CZ-CD1 4.35Å; F33-F167 HydrophobicContact CZ-CD2 4.18Å; F33-F167 AromaticContact CZ-CG 3.88Å; F33-F167 HydrophobicContact CZ-CG 3.88Å; L63-F167 HydrophobicContact CD1-CD1 4.49Å; I65-F167 HydrophobicContact CD1-CD1 4.18Å; I65-F167 HydrophobicContact CD1-CE1 3.77Å; I65-F167 HydrophobicContact CG1-CE1 4.44Å; I65-F167 HydrophobicContact CG2-CE1 4.43Å; I89-F167 HydrophobicContact CD1-CD1 3.8Å; I89-F167 HydrophobicContact CD1-CE1 3.63Å; I89-F167 HydrophobicContact CD1-CG 4.37Å; I89-F167 HydrophobicContact CD1-CZ 4.06Å; I163-F167 HydrophobicContact CG2-CE2 4.3Å; I163-F167 VanDerWaalsContact O-CD2 3.25Å; I163-F167 WeakPolarHBondContact O-CD2 3.11Å; D164-F167 PolarHBondContact O-N 3.11Å; F167-A169 PolarHBondContact O-N 3.48Å; F167-L170 PolarHBondContact O-N 3.32Å; F167-V171 WeakPolarHBondContact O-CG2 3.36Å; F167-V171 PolarHBondContact O-N 3.28Å; F167-V171 VanDerWaalsContact O-N 3.08Å |
| 168 | A | 98.3 | Very high | 97.2 | Very high | 13 Ų | 13 | 51.3 Ų | 51.3 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.3 | -44.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I56 D164 L170 V171 R172 | I56-A168 HydrophobicContact CD1-CB 4.38Å; I56-A168 HydrophobicContact CG1-CB 4.28Å; I56-A168 HydrophobicContact CG2-CB 4.16Å; D164-A168 WeakPolarHBondContact O-CB 3.47Å; D164-A168 PolarHBondContact O-N 2.95Å; A168-L170 VanDerWaalsContact C-N 3.32Å; A168-L170 PolarHBondContact O-N 3.02Å; A168-V171 PolarHBondContact O-N 3.47Å; A168-R172 WeakPolarHBondContact O-CB 3.46Å; A168-R172 VanDerWaalsContact O-CG 3.27Å; A168-R172 WeakPolarHBondContact O-CG 3.4Å; A168-R172 PolarHBondContact O-N 3.34Å |
| 169 | A | 98.6 | Very high | 96.9 | Very high | 12 Ų | 12 | 51.9 Ų | 51.9 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.5 | -39.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V122 F153 E165 V166 F167 Q173 | V122-A169 HydrophobicContact CG2-CB 4.21Å; F153-A169 HydrophobicContact CE2-CB 3.86Å; F153-A169 HydrophobicContact CZ-CB 4.02Å; E165-A169 WeakPolarHBondContact O-CB 3.38Å; E165-A169 PolarHBondContact O-N 3.14Å; V166-A169 PolarHBondContact O-N 3.23Å; F167-A169 PolarHBondContact O-N 3.48Å; A169-Q173 PolarHBondContact O-N 2.83Å; A169-Q173 VanDerWaalsContact O-N 3.16Å |
| 170 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68 | -46.2 | 178.4 | -175.2 | 57.2 | 0 | 0 | 0 | 112 | L16 I89 P120 V122 V166 F167 A168 R172 Q173 I174 | L16-L170 HydrophobicContact CB-CD2 4.41Å; L16-L170 HydrophobicContact CD1-CD2 4.37Å; L16-L170 HydrophobicContact CD2-CD2 3.82Å; L16-L170 HydrophobicContact CD2-CG 4.13Å; L16-L170 HydrophobicContact CG-CD2 4.42Å; I89-L170 HydrophobicContact CD1-CD2 4.12Å; I89-L170 HydrophobicContact CG1-CD2 3.55Å; P120-L170 HydrophobicContact CB-CD1 3.85Å; V122-L170 HydrophobicContact CG2-CB 3.91Å; V122-L170 HydrophobicContact CG2-CD1 4.25Å; V166-L170 PolarHBondContact O-N 2.93Å; V166-L170 VanDerWaalsContact O-N 3.11Å; F167-L170 PolarHBondContact O-N 3.32Å; A168-L170 VanDerWaalsContact C-N 3.32Å; A168-L170 PolarHBondContact O-N 3.02Å; L170-R172 VanDerWaalsContact C-N 3.32Å; L170-R172 PolarHBondContact O-N 2.83Å; L170-Q173 WeakPolarHBondContact O-CB 3.3Å; L170-Q173 PolarHBondContact O-N 3.28Å; L170-Q173 VanDerWaalsContact O-N 3.16Å; L170-I174 HydrophobicContact CG-CD1 4.4Å; L170-I174 WeakPolarHBondContact O-CG1 3.47Å; L170-I174 PolarHBondContact O-N 3.1Å |
| 171 | V | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 177.4 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | Y14 L16 I56 A61 L63 F167 A168 Q173 I174 R175 | Y14-V171 HydrophobicContact CD1-CG1 4.37Å; Y14-V171 HydrophobicContact CD2-CG1 4.28Å; Y14-V171 HydrophobicContact CE1-CG1 4.18Å; Y14-V171 HydrophobicContact CE2-CG1 4.08Å; Y14-V171 HydrophobicContact CG-CG1 4.42Å; Y14-V171 HydrophobicContact CG-CG2 4.46Å; L16-V171 HydrophobicContact CD1-CG2 4.41Å; I56-V171 HydrophobicContact CD1-CB 3.53Å; I56-V171 HydrophobicContact CD1-CG1 3.63Å; I56-V171 HydrophobicContact CD1-CG2 3.62Å; A61-V171 HydrophobicContact CB-CG1 4.39Å; L63-V171 HydrophobicContact CD2-CG2 3.65Å; F167-V171 WeakPolarHBondContact O-CG2 3.36Å; F167-V171 PolarHBondContact O-N 3.28Å; F167-V171 VanDerWaalsContact O-N 3.08Å; A168-V171 PolarHBondContact O-N 3.47Å; V171-Q173 VanDerWaalsContact C-N 3.32Å; V171-Q173 PolarHBondContact O-N 2.93Å; V171-I174 PolarHBondContact O-N 3.25Å; V171-I174 VanDerWaalsContact O-N 3.15Å; V171-R175 HydrophobicContact CG1-CG 4.35Å; V171-R175 WeakPolarHBondContact O-CG 3.26Å; V171-R175 PolarHBondContact O-N 3.32Å |
| 172 | R | 97.8 | Very high | 95.4 | Very high | 111 Ų | 111 | 50.3 Ų | 50.3 | 42% | 0.419 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.1 | -42.8 | 174.2 | -74.8 | 173 | -175.1 | 138.4 | -1.3 | 112.1 | I56 D57 A168 L170 I174 R175 Q176 | I56-R172 HydrophobicContact CG2-CG 4.19Å; D57-R172 IonicContact OD1-CZ 3.94Å; D57-R172 IonicContact OD1-NE 3.77Å; D57-R172 PolarHBondContact OD1-NE 3.4Å; D57-R172 IonicContact OD1-NH2 2.86Å; D57-R172 PolarHBondContact OD1-NH2 3.32Å; D57-R172 WeakPolarHBondContact OD2-CG 3.42Å; D57-R172 IonicContact OD2-CZ 3.81Å; D57-R172 IonicContact OD2-NE 3.58Å; D57-R172 PolarHBondContact OD2-NE 3.27Å; D57-R172 IonicContact OD2-NH2 3.32Å; A168-R172 WeakPolarHBondContact O-CB 3.46Å; A168-R172 VanDerWaalsContact O-CG 3.27Å; A168-R172 WeakPolarHBondContact O-CG 3.4Å; A168-R172 PolarHBondContact O-N 3.34Å; L170-R172 VanDerWaalsContact C-N 3.32Å; L170-R172 PolarHBondContact O-N 2.83Å; R172-I174 VanDerWaalsContact C-N 3.35Å; R172-I174 PolarHBondContact O-N 3.42Å; R172-R175 PolarHBondContact O-N 3.4Å; R172-Q176 WeakPolarHBondContact O-CB 3.49Å; R172-Q176 PolarHBondContact O-N 3.27Å |
| 173 | Q | 98 | Very high | 94.7 | Very high | 27 Ų | 27 | 52.4 Ų | 52.4 | 13% | 0.126 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 175.4 | -75.4 | -176.3 | 60 | 0 | 0 | 112.9 | P120 V121 P151 A169 L170 V171 R177 | P120-Q173 HydrophobicContact CB-CB 4.11Å; V121-Q173 PolarHBondContact O-NE2 2.58Å; V121-Q173 PolarHBondContact O-OE1 3Å; P151-Q173 VanDerWaalsContact CG-NE2 3.32Å; A169-Q173 PolarHBondContact O-N 2.83Å; A169-Q173 VanDerWaalsContact O-N 3.16Å; L170-Q173 WeakPolarHBondContact O-CB 3.3Å; L170-Q173 PolarHBondContact O-N 3.28Å; L170-Q173 VanDerWaalsContact O-N 3.16Å; V171-Q173 VanDerWaalsContact C-N 3.32Å; V171-Q173 PolarHBondContact O-N 2.93Å; Q173-R177 WeakPolarHBondContact O-CD 3.42Å; Q173-R177 WeakPolarHBondContact O-CG 3.02Å; Q173-R177 PolarHBondContact O-N 3.44Å |
| 174 | I | 97.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.4 | -53 | 176 | -63.2 | 166.3 | 0 | 0 | 0 | 109.4 | Y14 L16 E86 P120 L170 V171 R172 Q176 R177 E178 | Y14-I174 HydrophobicContact CD1-CB 4.3Å; Y14-I174 HydrophobicContact CD1-CD1 4.29Å; Y14-I174 HydrophobicContact CD1-CG2 3.86Å; Y14-I174 HydrophobicContact CE1-CB 4.49Å; Y14-I174 HydrophobicContact CE1-CG2 4.03Å; L16-I174 HydrophobicContact CD2-CD1 3.59Å; E86-I174 HydrophobicContact CB-CD1 4.02Å; E86-I174 HydrophobicContact CB-CG2 4.44Å; P120-I174 HydrophobicContact CB-CG1 4.05Å; P120-I174 HydrophobicContact CG-CG1 4.02Å; L170-I174 HydrophobicContact CG-CD1 4.4Å; L170-I174 WeakPolarHBondContact O-CG1 3.47Å; L170-I174 PolarHBondContact O-N 3.1Å; V171-I174 PolarHBondContact O-N 3.25Å; V171-I174 VanDerWaalsContact O-N 3.15Å; R172-I174 VanDerWaalsContact C-N 3.35Å; R172-I174 PolarHBondContact O-N 3.42Å; I174-Q176 VanDerWaalsContact C-N 3.3Å; I174-Q176 PolarHBondContact O-N 3.03Å; I174-R177 PolarHBondContact O-N 2.82Å; I174-E178 HydrophobicContact CG2-CG 4.44Å; I174-E178 WeakPolarHBondContact O-CG 3.19Å; I174-E178 PolarHBondContact O-N 3.17Å; I174-E178 VanDerWaalsContact O-N 3.1Å |
| 175 | R | 96.1 | Very high | 92.7 | Very high | 32 Ų | 32 | 54.4 Ų | 54.4 | 12% | 0.121 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54.7 | -43.8 | 178.7 | -73.9 | 179.8 | 176.7 | 171.6 | -2.9 | 112.4 | Y14 I56 E59 P60 V171 R172 R177 E178 A179 | Y14-R175 HydrophobicContact CE1-CG 4.04Å; Y14-R175 WeakPolarHBondContact OH-CG 3.38Å; Y14-R175 PolarHBondContact OH-NE 2.88Å; I56-R175 PolarHBondContact O-NH1 3.3Å; E59-R175 VanDerWaalsContact CB-NH2 3.34Å; E59-R175 PolarHBondContact O-NH2 2.95Å; E59-R175 IonicContact OE2-CZ 3.68Å; E59-R175 IonicContact OE2-NE 3.34Å; E59-R175 IonicContact OE2-NH1 3.39Å; E59-R175 PolarHBondContact OE2-NH1 3.48Å; E59-R175 IonicContact OE2-NH2 3.45Å; P60-R175 PolarHBondContact O-NH2 2.98Å; V171-R175 HydrophobicContact CG1-CG 4.35Å; V171-R175 WeakPolarHBondContact O-CG 3.26Å; V171-R175 PolarHBondContact O-N 3.32Å; R172-R175 PolarHBondContact O-N 3.4Å; R175-R177 VanDerWaalsContact C-N 3.29Å; R175-R177 PolarHBondContact O-N 3.16Å; R175-E178 PolarHBondContact O-N 3.39Å; R175-A179 PolarHBondContact O-N 3.33Å |
| 176 | Q | 94.7 | Very high | 91.6 | Very high | 117 Ų | 117 | 55.7 Ų | 55.7 | 55% | 0.547 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.7 | -42.5 | 178.7 | -178.6 | 179.4 | -8.7 | 0 | 0 | 111.8 | R172 I174 A179 E180 | R172-Q176 WeakPolarHBondContact O-CB 3.49Å; R172-Q176 PolarHBondContact O-N 3.27Å; I174-Q176 VanDerWaalsContact C-N 3.3Å; I174-Q176 PolarHBondContact O-N 3.03Å; Q176-A179 PolarHBondContact O-N 3.17Å; Q176-E180 WeakPolarHBondContact CG-OE1 3.42Å; Q176-E180 PolarHBondContact NE2-OE1 3.24Å; Q176-E180 WeakPolarHBondContact O-CG 3.37Å; Q176-E180 PolarHBondContact O-N 3.32Å |
| 177 | R | 91.6 | Very high | 90.4 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 29% | 0.291 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -74.3 | -35.8 | -177.5 | -71 | 164.4 | -175.5 | -113.8 | -7.1 | 113.5 | N118 Q173 I174 R175 A179 E180 S181 | N118-R177 PolarHBondContact O-NH1 3.02Å; N118-R177 PolarHBondContact O-NH2 2.85Å; Q173-R177 WeakPolarHBondContact O-CD 3.42Å; Q173-R177 WeakPolarHBondContact O-CG 3.02Å; Q173-R177 PolarHBondContact O-N 3.44Å; I174-R177 PolarHBondContact O-N 2.82Å; R175-R177 VanDerWaalsContact C-N 3.29Å; R175-R177 PolarHBondContact O-N 3.16Å; R177-A179 VanDerWaalsContact C-N 3.29Å; R177-E180 PolarHBondContact O-N 2.81Å; R177-S181 WeakPolarHBondContact O-CB 3.39Å; R177-S181 PolarHBondContact O-N 3.19Å; R177-S181 PolarHBondContact O-OG 2.82Å |
| 178 | E | 92.1 | Very high | 89 | Confident | 65 Ų | 65 | 72.6 Ų | 72.6 | 30% | 0.304 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 172.4 | -66.9 | 179.1 | 139.5 | 0 | 0 | 109.4 | R12 I174 R175 E180 S181 V182 | R12-E178 IonicContact CZ-OE1 3.62Å; R12-E178 IonicContact NE-OE1 3.59Å; R12-E178 PolarHBondContact NE-OE1 3.36Å; R12-E178 IonicContact NH2-OE1 2.74Å; R12-E178 PolarHBondContact NH2-OE1 2.96Å; I174-E178 HydrophobicContact CG2-CG 4.44Å; I174-E178 WeakPolarHBondContact O-CG 3.19Å; I174-E178 PolarHBondContact O-N 3.17Å; I174-E178 VanDerWaalsContact O-N 3.1Å; R175-E178 PolarHBondContact O-N 3.39Å; E178-E180 PolarHBondContact O-N 3.01Å; E178-S181 PolarHBondContact O-N 3.24Å; E178-V182 WeakPolarHBondContact O-CG2 3.13Å; E178-V182 PolarHBondContact O-N 3.39Å |
| 179 | A | 91.3 | Very high | 87.7 | Confident | 45 Ų | 45 | 76.7 Ų | 76.7 | 37% | 0.372 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R175 Q176 R177 V182 R183 | R175-A179 PolarHBondContact O-N 3.33Å; Q176-A179 PolarHBondContact O-N 3.17Å; R177-A179 VanDerWaalsContact C-N 3.29Å; A179-V182 PolarHBondContact O-N 3.41Å; A179-R183 VanDerWaalsContact O-CG 3.3Å; A179-R183 WeakPolarHBondContact O-CG 3.39Å; A179-R183 PolarHBondContact O-N 3.38Å; A179-R183 VanDerWaalsContact O-N 3.07Å |
| 180 | E | 90.3 | Very high | 86.4 | Confident | 107 Ų | 107 | 85.8 Ų | 85.8 | 50% | 0.5 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 175.3 | -74 | 170.6 | -171.6 | 0 | 0 | 112.5 | Q176 R177 E178 R183 G184 | Q176-E180 WeakPolarHBondContact CG-OE1 3.42Å; Q176-E180 PolarHBondContact NE2-OE1 3.24Å; Q176-E180 WeakPolarHBondContact O-CG 3.37Å; Q176-E180 PolarHBondContact O-N 3.32Å; R177-E180 PolarHBondContact O-N 2.81Å; E178-E180 PolarHBondContact O-N 3.01Å; E180-R183 PolarHBondContact O-N 3.41Å; E180-G184 PolarHBondContact O-N 2.78Å |
| 181 | S | 86.8 | Confident | 84.9 | Confident | 75 Ų | 75 | 94.9 Ų | 94.9 | 52% | 0.524 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 179.1 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | R177 E178 S185 | R177-S181 WeakPolarHBondContact O-CB 3.39Å; R177-S181 PolarHBondContact O-N 3.19Å; R177-S181 PolarHBondContact O-OG 2.82Å; E178-S181 PolarHBondContact O-N 3.24Å; S181-S185 PolarHBondContact O-N 3.22Å; S181-S185 VanDerWaalsContact O-N 3.14Å; S181-S185 PolarHBondContact O-OG 3.03Å |
| 182 | V | 84.7 | Confident | 83.4 | Confident | 82 Ų | 82 | 99.5 Ų | 99.5 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.5 | -51.2 | 174.2 | 174 | 0 | 0 | 0 | 0 | 110.4 | E178 A179 G184 S185 E186 | E178-V182 WeakPolarHBondContact O-CG2 3.13Å; E178-V182 PolarHBondContact O-N 3.39Å; A179-V182 PolarHBondContact O-N 3.41Å; V182-G184 VanDerWaalsContact C-N 3.31Å; V182-G184 PolarHBondContact O-N 3.06Å; V182-S185 PolarHBondContact O-N 3.31Å; V182-S185 VanDerWaalsContact O-N 3.12Å; V182-E186 PolarHBondContact O-N 3.25Å |
| 183 | R | 83.8 | Confident | 82.1 | Confident | 175 Ų | 175 | 100.9 Ų | 100.9 | 66% | 0.66 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60 | -38.4 | 178.8 | -71.3 | 174.7 | -177.4 | -163.7 | 2.3 | 112.8 | A179 E180 R187 | A179-R183 VanDerWaalsContact O-CG 3.3Å; A179-R183 WeakPolarHBondContact O-CG 3.39Å; A179-R183 PolarHBondContact O-N 3.38Å; A179-R183 VanDerWaalsContact O-N 3.07Å; E180-R183 PolarHBondContact O-N 3.41Å; R183-R187 PolarHBondContact O-N 2.83Å; R183-R187 VanDerWaalsContact O-N 3.08Å |
| 184 | G | 78.1 | Confident | 80.8 | Confident | 34 Ų | 34 | 102.2 Ų | 102.2 | 35% | 0.351 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E180 V182 K188 | E180-G184 PolarHBondContact O-N 2.78Å; V182-G184 VanDerWaalsContact C-N 3.31Å; V182-G184 PolarHBondContact O-N 3.06Å; G184-K188 PolarHBondContact O-N 3.39Å |
| 185 | S | 75.2 | Confident | 79.8 | Confident | 74 Ų | 74 | 107.4 Ų | 107.4 | 52% | 0.517 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69 | -44.9 | 177.9 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | S181 V182 R187 K188 T189 | S181-S185 PolarHBondContact O-N 3.22Å; S181-S185 VanDerWaalsContact O-N 3.14Å; S181-S185 PolarHBondContact O-OG 3.03Å; V182-S185 PolarHBondContact O-N 3.31Å; V182-S185 VanDerWaalsContact O-N 3.12Å; S185-R187 PolarHBondContact O-N 2.89Å; S185-K188 PolarHBondContact O-N 3.19Å; S185-T189 PolarHBondContact O-N 3.01Å; S185-T189 PolarHBondContact O-OG1 3.21Å; S185-T189 VanDerWaalsContact O-OG1 3.1Å |
| 186 | E | 74.4 | Confident | 78.3 | Confident | 116 Ų | 116 | 113 Ų | 113 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 175.6 | -69.3 | 179.5 | 163 | 0 | 0 | 112.6 | V182 K188 T189 R190 | V182-E186 PolarHBondContact O-N 3.25Å; E186-K188 PolarHBondContact O-N 2.8Å; E186-T189 PolarHBondContact O-N 3.42Å; E186-R190 WeakPolarHBondContact O-CG 3.49Å; E186-R190 PolarHBondContact O-N 2.93Å |
| 187 | R | 73.7 | Confident | 76.9 | Confident | 200 Ų | 200 | 110.9 Ų | 110.9 | 76% | 0.755 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61 | -41.8 | 175 | -89.3 | 176.5 | 66.7 | 156.2 | -2.5 | 112.2 | R183 S185 R191 | R183-R187 PolarHBondContact O-N 2.83Å; R183-R187 VanDerWaalsContact O-N 3.08Å; S185-R187 PolarHBondContact O-N 2.89Å; R187-R191 WeakPolarHBondContact O-CB 3.46Å; R187-R191 PolarHBondContact O-N 2.99Å |
| 188 | K | 69.4 | Low | 75.8 | Confident | 156 Ų | 156 | 116.1 Ų | 116.1 | 68% | 0.678 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.5 | -44.9 | 176.7 | -78.6 | 179.8 | 179.8 | 176.2 | 0 | 111.4 | G184 S185 E186 R191 N192 | G184-K188 PolarHBondContact O-N 3.39Å; S185-K188 PolarHBondContact O-N 3.19Å; E186-K188 PolarHBondContact O-N 2.8Å; K188-R191 PolarHBondContact O-N 2.96Å; K188-N192 PolarHBondContact O-N 3.22Å |
| 189 | T | 71.2 | Confident | 74.5 | Confident | 98 Ų | 98 | 115.7 Ų | 115.7 | 60% | 0.601 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.6 | -46.4 | 178 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | S185 E186 R191 N192 H193 | S185-T189 PolarHBondContact O-N 3.01Å; S185-T189 PolarHBondContact O-OG1 3.21Å; S185-T189 VanDerWaalsContact O-OG1 3.1Å; E186-T189 PolarHBondContact O-N 3.42Å; T189-R191 VanDerWaalsContact C-N 3.34Å; T189-R191 PolarHBondContact O-N 3.33Å; T189-N192 PolarHBondContact O-N 3Å; T189-H193 WeakPolarHBondContact O-CB 3.36Å; T189-H193 PolarHBondContact O-N 3.47Å |
| 190 | R | 70.1 | Confident | 73.2 | Confident | 203 Ų | 203 | 122.8 Ų | 122.8 | 77% | 0.766 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.2 | -39.8 | 176.2 | -69.9 | 177 | 84.4 | 165.3 | 5.3 | 112.1 | E186 H193 S194 | E186-R190 WeakPolarHBondContact O-CG 3.49Å; E186-R190 PolarHBondContact O-N 2.93Å; R190-H193 PolarHBondContact O-N 3.18Å; R190-S194 WeakPolarHBondContact O-CB 3.22Å; R190-S194 PolarHBondContact O-N 2.65Å |
| 191 | R | 68.3 | Low | 71.7 | Confident | 191 Ų | 191 | 121.1 Ų | 121.1 | 72% | 0.721 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.4 | -44.6 | 178.8 | -150.2 | 175 | 82.5 | 165.9 | 5.7 | 111.6 | R187 K188 T189 S194 F195 | R187-R191 WeakPolarHBondContact O-CB 3.46Å; R187-R191 PolarHBondContact O-N 2.99Å; K188-R191 PolarHBondContact O-N 2.96Å; T189-R191 VanDerWaalsContact C-N 3.34Å; T189-R191 PolarHBondContact O-N 3.33Å; R191-S194 PolarHBondContact O-N 3Å; R191-S194 PolarHBondContact O-OG 3.2Å; R191-F195 WeakPolarHBondContact O-CB 3.31Å; R191-F195 PolarHBondContact O-N 3.08Å |
| 192 | N | 67.3 | Low | 70.4 | Confident | 97 Ų | 97 | 121.6 Ų | 121.6 | 52% | 0.519 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.3 | -46.5 | 173.1 | -87.6 | 8.5 | 0 | 0 | 0 | 111.2 | K188 T189 S194 F195 W196 | K188-N192 PolarHBondContact O-N 3.22Å; T189-N192 PolarHBondContact O-N 3Å; N192-S194 PolarHBondContact O-N 3.39Å; N192-F195 WeakPolarHBondContact O-CB 3.48Å; N192-F195 PolarHBondContact O-N 3.29Å; N192-W196 PolarHBondContact O-N 2.93Å |
| 193 | H | 70.3 | Confident | 69.1 | Low | 140 Ų | 140 | 124.4 Ų | 124.4 | 65% | 0.648 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.9 | -44 | 177.1 | -170.5 | -83.7 | 0 | 0 | 0 | 112.1 | T189 R190 F195 W196 S197 | T189-H193 WeakPolarHBondContact O-CB 3.36Å; T189-H193 PolarHBondContact O-N 3.47Å; R190-H193 PolarHBondContact O-N 3.18Å; H193-F195 VanDerWaalsContact C-N 3.31Å; H193-F195 PolarHBondContact O-N 2.85Å; H193-W196 PolarHBondContact O-N 3.03Å; H193-S197 VanDerWaalsContact O-CB 3.31Å; H193-S197 WeakPolarHBondContact O-CB 3.3Å; H193-S197 PolarHBondContact O-N 2.94Å |
| 194 | S | 70.9 | Confident | 67.8 | Low | 55 Ų | 55 | 123 Ų | 123 | 39% | 0.385 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.4 | -36.5 | 176.4 | 82.1 | 0 | 0 | 0 | 0 | 112.8 | R190 R191 N192 R198 | R190-S194 WeakPolarHBondContact O-CB 3.22Å; R190-S194 PolarHBondContact O-N 2.65Å; R191-S194 PolarHBondContact O-N 3Å; R191-S194 PolarHBondContact O-OG 3.2Å; N192-S194 PolarHBondContact O-N 3.39Å; S194-R198 WeakPolarHBondContact O-CG 3.25Å; S194-R198 PolarHBondContact O-N 2.81Å |
| 195 | F | 74.8 | Confident | 66.6 | Low | 117 Ų | 117 | 129.8 Ų | 129.8 | 51% | 0.513 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.4 | -47 | 178.7 | 174 | -107.5 | 0 | 0 | 0 | 111.4 | R191 N192 H193 S197 R198 M199 | R191-F195 WeakPolarHBondContact O-CB 3.31Å; R191-F195 PolarHBondContact O-N 3.08Å; N192-F195 WeakPolarHBondContact O-CB 3.48Å; N192-F195 PolarHBondContact O-N 3.29Å; H193-F195 VanDerWaalsContact C-N 3.31Å; H193-F195 PolarHBondContact O-N 2.85Å; F195-S197 VanDerWaalsContact C-N 3.34Å; F195-S197 PolarHBondContact O-N 2.95Å; F195-R198 PolarHBondContact O-N 3.41Å; F195-M199 HydrophobicContact CD1-CE 3.87Å; F195-M199 HydrophobicContact CE1-CE 3.2Å; F195-M199 HydrophobicContact CE2-CE 4.44Å; F195-M199 HydrophobicContact CZ-CE 3.54Å; F195-M199 PolarHBondContact O-N 3.41Å |
| 196 | W | 64.9 | Low | 65.5 | Low | 150 Ų | 150 | 134.3 Ų | 134.3 | 57% | 0.568 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.3 | -37.4 | 175.2 | -72.2 | 114.5 | 0 | 0 | 0 | 112.6 | N192 H193 M199 R200 | N192-W196 PolarHBondContact O-N 2.93Å; H193-W196 PolarHBondContact O-N 3.03Å; W196-M199 HydrophobicContact CD2-CE 4.24Å; W196-M199 HydrophobicContact CE3-CE 3.62Å; W196-M199 HydrophobicContact CH2-CE 4.12Å; W196-M199 HydrophobicContact CZ3-CE 3.55Å; W196-M199 PolarHBondContact O-N 3.28Å; W196-R200 WeakPolarHBondContact O-CG 3.41Å; W196-R200 PolarHBondContact O-N 2.88Å |
| 197 | S | 65.6 | Low | 64.5 | Low | 71 Ų | 71 | 136.8 Ų | 136.8 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.2 | -44.3 | 174.2 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | H193 F195 R200 S201 | H193-S197 VanDerWaalsContact O-CB 3.31Å; H193-S197 WeakPolarHBondContact O-CB 3.3Å; H193-S197 PolarHBondContact O-N 2.94Å; F195-S197 VanDerWaalsContact C-N 3.34Å; F195-S197 PolarHBondContact O-N 2.95Å; S197-R200 PolarHBondContact O-N 2.66Å; S197-S201 PolarHBondContact O-N 3.26Å; S197-S201 VanDerWaalsContact O-N 3.11Å |
| 198 | R | 68.9 | Low | 63.3 | Low | 187 Ų | 187 | 135.7 Ų | 135.7 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.7 | -43.4 | 174.5 | -75 | 175.1 | 80.8 | 166.8 | 4.4 | 112 | S194 F195 S201 T202 | S194-R198 WeakPolarHBondContact O-CG 3.25Å; S194-R198 PolarHBondContact O-N 2.81Å; F195-R198 PolarHBondContact O-N 3.41Å; R198-S201 PolarHBondContact O-N 2.8Å; R198-S201 PolarHBondContact O-OG 2.89Å; R198-T202 PolarHBondContact O-N 2.66Å; R198-T202 VanDerWaalsContact O-N 3.16Å; R198-T202 PolarHBondContact O-OG1 2.95Å |
| 199 | M | 65.4 | Low | 62.4 | Low | 57 Ų | 57 | 132.7 Ų | 132.7 | 28% | 0.281 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -59.9 | -47.3 | 176 | -104.7 | -154.1 | -80 | 0 | 0 | 112.1 | F195 W196 S201 T202 F203 | F195-M199 HydrophobicContact CD1-CE 3.87Å; F195-M199 HydrophobicContact CE1-CE 3.2Å; F195-M199 HydrophobicContact CE2-CE 4.44Å; F195-M199 HydrophobicContact CZ-CE 3.54Å; F195-M199 PolarHBondContact O-N 3.41Å; W196-M199 HydrophobicContact CD2-CE 4.24Å; W196-M199 HydrophobicContact CE3-CE 3.62Å; W196-M199 HydrophobicContact CH2-CE 4.12Å; W196-M199 HydrophobicContact CZ3-CE 3.55Å; W196-M199 PolarHBondContact O-N 3.28Å; M199-S201 VanDerWaalsContact C-N 3.26Å; M199-S201 PolarHBondContact O-N 3.5Å; M199-T202 WeakPolarHBondContact CA-OG1 3.36Å; M199-T202 PolarHBondContact O-N 3.31Å; M199-T202 VanDerWaalsContact O-N 3.15Å; M199-T202 PolarHBondContact O-OG1 3.49Å; M199-F203 WeakPolarHBondContact O-CD2 3.31Å; M199-F203 PolarHBondContact O-N 3.32Å; M199-F203 VanDerWaalsContact O-N 3.14Å; M199-F203 HydrophobicContact SD-CE2 4.33Å |
| 200 | R | 62.7 | Low | 61.1 | Low | 194 Ų | 194 | 136 Ų | 136 | 73% | 0.732 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -59.5 | -37.6 | 177.7 | -76.1 | -177.4 | 173.8 | -163.2 | -1.5 | 112.2 | W196 S197 F203 H204 | W196-R200 WeakPolarHBondContact O-CG 3.41Å; W196-R200 PolarHBondContact O-N 2.88Å; S197-R200 PolarHBondContact O-N 2.66Å; R200-F203 PolarHBondContact O-N 3.05Å; R200-H204 PolarHBondContact O-N 2.95Å |
| 201 | S | 59.2 | Low | 59.7 | Low | 71 Ų | 71 | 139.2 Ų | 139.2 | 50% | 0.497 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -65.8 | -36.2 | 177.1 | 78.6 | 0 | 0 | 0 | 0 | 113.3 | S197 R198 M199 K205 | S197-S201 PolarHBondContact O-N 3.26Å; S197-S201 VanDerWaalsContact O-N 3.11Å; R198-S201 PolarHBondContact O-N 2.8Å; R198-S201 PolarHBondContact O-OG 2.89Å; M199-S201 VanDerWaalsContact C-N 3.26Å; M199-S201 PolarHBondContact O-N 3.5Å; S201-K205 PolarHBondContact O-N 2.76Å |
| 202 | T | 60 | Low | 59.3 | Low | 86 Ų | 86 | 136.6 Ų | 136.6 | 53% | 0.528 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -74.5 | -27.7 | 176.8 | 38 | 0 | 0 | 0 | 0 | 113.2 | R198 M199 | R198-T202 PolarHBondContact O-N 2.66Å; R198-T202 VanDerWaalsContact O-N 3.16Å; R198-T202 PolarHBondContact O-OG1 2.95Å; M199-T202 WeakPolarHBondContact CA-OG1 3.36Å; M199-T202 PolarHBondContact O-N 3.31Å; M199-T202 VanDerWaalsContact O-N 3.15Å; M199-T202 PolarHBondContact O-OG1 3.49Å |
| 203 | F | 57.3 | Low | 58.9 | Low | 141 Ų | 141 | 138.7 Ų | 138.7 | 62% | 0.618 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -73.5 | -38.7 | 174.2 | -80.8 | -75 | 0 | 0 | 0 | 112.5 | M199 R200 K205 K206 | M199-F203 WeakPolarHBondContact O-CD2 3.31Å; M199-F203 PolarHBondContact O-N 3.32Å; M199-F203 VanDerWaalsContact O-N 3.14Å; M199-F203 HydrophobicContact SD-CE2 4.33Å; R200-F203 PolarHBondContact O-N 3.05Å; F203-K205 VanDerWaalsContact C-N 3.31Å; F203-K205 PolarHBondContact O-N 3.02Å; F203-K206 PolarHBondContact O-N 2.79Å |
| 204 | H | 56.1 | Low | 58.2 | Low | 146 Ų | 146 | 138.6 Ų | 138.6 | 68% | 0.676 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.5 | -28.5 | 175.6 | -90.2 | 48.7 | 0 | 0 | 0 | 113.3 | R200 K206 | R200-H204 PolarHBondContact O-N 2.95Å; H204-K206 VanDerWaalsContact C-N 3.3Å; H204-K206 PolarHBondContact O-N 3.21Å |
| 205 | K | 53.9 | Low | 57.5 | Low | 175 Ų | 175 | 143.5 Ų | 143.5 | 76% | 0.761 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -73 | -19.1 | 179.6 | -129.6 | 177.4 | -176.4 | -178.2 | 0 | 114.1 | S201 F203 | S201-K205 PolarHBondContact O-N 2.76Å; F203-K205 VanDerWaalsContact C-N 3.31Å; F203-K205 PolarHBondContact O-N 3.02Å |
| 206 | K | 51.8 | Low | 56.4 | Low | 169 Ų | 169 | 145.2 Ų | 145.2 | 74% | 0.735 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -13.7 | 178.7 | -88.1 | -172.5 | 172.3 | -172.5 | 0 | 114.5 | F203 H204 | F203-K206 PolarHBondContact O-N 2.79Å; H204-K206 VanDerWaalsContact C-N 3.3Å; H204-K206 PolarHBondContact O-N 3.21Å |
| 207 | Q | 51.8 | Low | 55.8 | Low | 168 Ų | 168 | 144.9 Ų | 144.9 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -89 | -6.5 | 178.1 | -73.7 | -169.4 | -6.7 | 0 | 0 | 113.9 | ||
| 208 | H | 49.8 | Very low | 55.1 | Low | 178 Ų | 178 | 150.1 Ų | 150.1 | 82% | 0.824 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -112.3 | 8.8 | -179.6 | -87.2 | -74 | 0 | 0 | 0 | 114.4 | ||
| 209 | S | 49.7 | Very low | 54.1 | Low | 92 Ų | 92 | 147.3 Ų | 147.3 | 64% | 0.643 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -107.5 | 12 | 179.6 | 72.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 210 | E | 45.3 | Very low | 53.1 | Low | 169 Ų | 169 | 154.8 Ų | 154.8 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | -118.5 | 72.4 | 172.5 | -71.8 | -175.5 | 169.3 | 0 | 0 | 109.5 | ||||
| 211 | H | 40 | Very low | 52.3 | Low | 269 Ų | 269 | 151.3 Ų | 151.3 | 100% | 1.245 | 74% | 0.737 | S | S | * | * | trans | -152.2 | 0 | 156.5 | -85.9 | -30.3 | 0 | 0 | 0 | 109.1 |
Retrieved 211 of 211 residues in 1287.4 ms
(Link to these results)