| 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 | 82.1 | Confident | 92.3 | Very high | 95 Ų | 95 | 34.3 Ų | 34.3 | 47% | 0.468 | 18% | 0.184 | S | C | . | . | 0 | 106.9 | 0 | -172.2 | -151.7 | -56.5 | 0 | 0 | 110 | E38 L39 | M1-E38 PolarHBondContact N-OE1 3.27Å; M1-L39 HydrophobicContact CB-CB 4.07Å; M1-L39 PolarHBondContact N-O 2.93Å; M1-L39 PolarHBondContact O-N 2.93Å | |||
| 2 | D | 88 | Confident | 92.3 | Very high | 114 Ų | 114 | 31.4 Ų | 31.4 | 61% | 0.61 | 17% | 0.169 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 136 | 178.2 | -61.5 | -51.8 | 0 | 0 | 0 | 113.2 | K76 | D2-K76 VanDerWaalsContact O-CE 3.24Å; D2-K76 WeakPolarHBondContact O-CE 3.29Å |
| 3 | H | 91.8 | Very high | 92.1 | Very high | 14 Ų | 14 | 30.2 Ų | 30.2 | 7% | 0.065 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 142.9 | 168.2 | 55.7 | 84.6 | 0 | 0 | 0 | 111.3 | Q35 P36 G37 I74 S75 | H3-Q35 PolarHBondContact CE1-O 3.43Å; H3-Q35 PolarHBondContact ND1-O 3.06Å; H3-P36 WeakPolarHBondContact O-CA 3.46Å; H3-G37 PolarHBondContact N-O 3.21Å; H3-G37 PolarHBondContact O-N 3.17Å; H3-I74 HydrophobicContact CB-CG2 3.72Å; H3-S75 CarbonylContact C-O 3.57Å; H3-S75 VanDerWaalsContact CA-O 3.27Å; H3-S75 WeakPolarHBondContact CA-O 3.37Å; H3-S75 WeakPolarHBondContact CB-O 3.5Å |
| 4 | S | 90.3 | Very high | 92 | Very high | 60 Ų | 60 | 28.1 Ų | 28.1 | 42% | 0.42 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -82.2 | 1.5 | 169.2 | 33.9 | 0 | 0 | 0 | 0 | 113 | P36 S75 K76 | S4-P36 WeakPolarHBondContact O-CG 3.43Å; S4-S75 PolarHBondContact N-O 3.11Å; S4-S75 VanDerWaalsContact OG-C 3.23Å; S4-S75 PolarHBondContact OG-O 3.33Å; S4-K76 WeakPolarHBondContact OG-CA 3.5Å; S4-K76 PolarHBondContact OG-N 3Å |
| 5 | G | 92.1 | Very high | 91.6 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 7% | 0.072 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.9 | 160.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A34 S75 | G5-A34 WeakPolarHBondContact CA-O 3.38Å; G5-S75 PolarHBondContact O-N 3.12Å |
| 6 | I | 94.8 | Very high | 91.1 | Very high | 8 Ų | 8 | 28.4 Ų | 28.4 | 4% | 0.041 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 127.9 | 169.8 | -52.6 | -179.5 | 0 | 0 | 0 | 107.8 | L33 A34 L39 Y45 T73 I74 | I6-L33 HydrophobicContact CB-CB 4.37Å; I6-L33 HydrophobicContact CG2-CB 4.09Å; I6-L33 HydrophobicContact CG2-CD1 4.27Å; I6-L33 PolarHBondContact O-N 3.34Å; I6-A34 HydrophobicContact CB-CB 4.05Å; I6-A34 HydrophobicContact CD1-CB 4.02Å; I6-A34 HydrophobicContact CG1-CB 4.05Å; I6-A34 PolarHBondContact N-O 3.28Å; I6-A34 PolarHBondContact O-N 3.45Å; I6-L39 HydrophobicContact CD1-CD1 3.59Å; I6-L39 HydrophobicContact CD1-CG 4.47Å; I6-Y45 HydrophobicContact CD1-CE2 4.19Å; I6-T73 WeakPolarHBondContact CA-O 3.29Å; I6-I74 HydrophobicContact CD1-CG1 4.44Å; I6-I74 HydrophobicContact CG1-CG1 4.18Å; I6-I74 HydrophobicContact CG1-CG2 4.24Å; I6-I74 HydrophobicContact CG2-CG1 4.12Å |
| 7 | K | 95.1 | Very high | 90.4 | Very high | 56 Ų | 56 | 31.7 Ų | 31.7 | 24% | 0.243 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 155.2 | 175.5 | 60.3 | 174.6 | 179.2 | 166 | 0 | 111.2 | E9 V30 K31 T73 | K7-E9 HydrophobicContact CD-CG 4.25Å; K7-E9 WeakPolarHBondContact CD-OE1 3.42Å; K7-E9 VanDerWaalsContact CE-OE1 3.27Å; K7-E9 WeakPolarHBondContact CE-OE1 3.34Å; K7-E9 IonicContact NZ-OE1 3.03Å; K7-E9 PolarHBondContact NZ-OE1 3Å; K7-V30 HydrophobicContact CB-CG1 4.21Å; K7-V30 HydrophobicContact CD-CG1 4Å; K7-K31 WeakPolarHBondContact CA-O 3.37Å; K7-T73 PolarHBondContact N-O 3.5Å; K7-T73 PolarHBondContact O-N 2.88Å |
| 8 | I | 96.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146 | 161.5 | -169.6 | 168.7 | 0 | 0 | 0 | 109.5 | K31 L33 F47 F49 L70 R71 V72 | I8-K31 HydrophobicContact CG2-CB 4.16Å; I8-K31 PolarHBondContact N-O 3.41Å; I8-K31 PolarHBondContact O-N 3.21Å; I8-L33 HydrophobicContact CB-CD1 3.95Å; I8-L33 HydrophobicContact CG2-CD1 3.91Å; I8-L33 HydrophobicContact CG2-CD2 3.98Å; I8-L33 HydrophobicContact CG2-CG 4.09Å; I8-F47 HydrophobicContact CD1-CD1 3.69Å; I8-F47 HydrophobicContact CD1-CD2 3.81Å; I8-F47 HydrophobicContact CD1-CE1 3.55Å; I8-F47 HydrophobicContact CD1-CE2 3.69Å; I8-F47 HydrophobicContact CD1-CG 3.82Å; I8-F47 HydrophobicContact CD1-CZ 3.56Å; I8-F47 HydrophobicContact CG2-CB 3.85Å; I8-F47 HydrophobicContact CG2-CD2 4.26Å; I8-F47 HydrophobicContact CG2-CG 4.01Å; I8-F49 HydrophobicContact CG2-CE2 4.08Å; I8-F49 HydrophobicContact CG2-CZ 4.05Å; I8-L70 HydrophobicContact CD1-CD2 4.12Å; I8-L70 HydrophobicContact CG1-CD2 4.31Å; I8-R71 CarbonylContact C-O 3.53Å; I8-R71 WeakPolarHBondContact CA-O 3.24Å; I8-V72 HydrophobicContact CB-CG2 4.26Å; I8-V72 HydrophobicContact CD1-CG2 3.75Å; I8-V72 HydrophobicContact CG1-CG2 3.81Å |
| 9 | E | 94.9 | Very high | 88.4 | Confident | 10 Ų | 10 | 35.7 Ų | 35.7 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.2 | -177 | -46 | -173.7 | 134.3 | 0 | 0 | 108.7 | K7 I11 L29 V30 L70 R71 | K7-E9 HydrophobicContact CD-CG 4.25Å; K7-E9 WeakPolarHBondContact CD-OE1 3.42Å; K7-E9 VanDerWaalsContact CE-OE1 3.27Å; K7-E9 WeakPolarHBondContact CE-OE1 3.34Å; K7-E9 IonicContact NZ-OE1 3.03Å; K7-E9 PolarHBondContact NZ-OE1 3Å; E9-I11 HydrophobicContact CB-CD1 3.94Å; E9-I11 HydrophobicContact CB-CG1 3.98Å; E9-L29 CarbonylContact C-O 3.5Å; E9-L29 WeakPolarHBondContact CA-O 3.43Å; E9-V30 HydrophobicContact CG-CG1 4.28Å; E9-V30 HydrophobicContact CG-CG2 4.04Å; E9-L70 CarbonylContact O-C 3.6Å; E9-L70 WeakPolarHBondContact O-CA 3.34Å; E9-R71 HydrophobicContact CB-CB 4.35Å; E9-R71 PolarHBondContact N-O 3.31Å; E9-R71 PolarHBondContact O-N 3.33Å; E9-R71 IonicContact OE2-CZ 2.77Å; E9-R71 IonicContact OE2-NE 2.86Å; E9-R71 PolarHBondContact OE2-NE 2.93Å; E9-R71 IonicContact OE2-NH2 2.74Å; E9-R71 PolarHBondContact OE2-NH2 3.45Å |
| 10 | F | 95.6 | Very high | 86.8 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 4% | 0.039 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 124.7 | 162.6 | 176.7 | -81.8 | 0 | 0 | 0 | 108.3 | I27 S28 L29 F49 V52 K54 Y68 L70 L87 | F10-I27 HydrophobicContact CE1-CD1 4.48Å; F10-I27 HydrophobicContact CE1-CG2 4.19Å; F10-S28 WeakPolarHBondContact O-CA 3.5Å; F10-L29 HydrophobicContact CB-CB 4.39Å; F10-L29 PolarHBondContact N-O 3.49Å; F10-L29 PolarHBondContact O-N 3.35Å; F10-F49 HydrophobicContact CB-CD2 3.97Å; F10-F49 HydrophobicContact CB-CE2 3.95Å; F10-F49 HydrophobicContact CB-CG 4.44Å; F10-F49 HydrophobicContact CB-CZ 4.41Å; F10-V52 HydrophobicContact CD1-CG1 3.44Å; F10-V52 VanDerWaalsContact CD1-CG1 3.44Å; F10-V52 HydrophobicContact CD2-CG1 4.31Å; F10-V52 HydrophobicContact CE1-CG1 3.26Å; F10-V52 HydrophobicContact CE2-CG1 4.14Å; F10-V52 HydrophobicContact CG-CG1 3.99Å; F10-V52 HydrophobicContact CZ-CG1 3.65Å; F10-K54 HydrophobicContact CE1-CG 4.49Å; F10-K54 HydrophobicContact CZ-CD 4.05Å; F10-K54 HydrophobicContact CZ-CG 3.99Å; F10-Y68 AromaticContact CE1-CD1 3.77Å; F10-Y68 HydrophobicContact CE1-CD1 3.77Å; F10-Y68 HydrophobicContact CE1-CE1 4.37Å; F10-Y68 AromaticContact CZ-CD1 3.61Å; F10-Y68 HydrophobicContact CZ-CD1 3.61Å; F10-Y68 HydrophobicContact CZ-CE1 4.42Å; F10-Y68 HydrophobicContact CZ-CG 4.26Å; F10-L70 HydrophobicContact CB-CD2 3.93Å; F10-L70 HydrophobicContact CD2-CD2 4.03Å; F10-L70 HydrophobicContact CD2-CG 4.32Å; F10-L70 HydrophobicContact CG-CD2 4.5Å; F10-L87 HydrophobicContact CD2-CD1 4.23Å; F10-L87 HydrophobicContact CE2-CD1 3.75Å |
| 11 | I | 93.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 137.5 | -171.3 | -55.6 | 178.4 | 0 | 0 | 0 | 109.7 | E9 H13 D25 I27 Y68 F69 R71 | E9-I11 HydrophobicContact CB-CD1 3.94Å; E9-I11 HydrophobicContact CB-CG1 3.98Å; I11-H13 HydrophobicContact CG2-CB 4.22Å; I11-D25 HydrophobicContact CG2-CB 4.19Å; I11-D25 VanDerWaalsContact CG2-CG 3.49Å; I11-D25 WeakPolarHBondContact CG2-OD1 3.46Å; I11-I27 CarbonylContact C-O 3.55Å; I11-I27 WeakPolarHBondContact CA-O 3.45Å; I11-Y68 CarbonylContact O-C 3.36Å; I11-Y68 WeakPolarHBondContact O-CA 3.23Å; I11-F69 HydrophobicContact CB-CD1 4.4Å; I11-F69 HydrophobicContact CB-CD2 4.4Å; I11-F69 HydrophobicContact CB-CE1 4.06Å; I11-F69 HydrophobicContact CB-CE2 4.05Å; I11-F69 HydrophobicContact CB-CZ 3.87Å; I11-F69 HydrophobicContact CD1-CE2 3.8Å; I11-F69 HydrophobicContact CD1-CZ 4.04Å; I11-F69 HydrophobicContact CG1-CE2 4.39Å; I11-F69 HydrophobicContact CG2-CE1 3.87Å; I11-F69 HydrophobicContact CG2-CE2 4.41Å; I11-F69 HydrophobicContact CG2-CZ 3.75Å; I11-F69 PolarHBondContact N-O 3.18Å; I11-F69 PolarHBondContact O-N 3Å; I11-R71 HydrophobicContact CD1-CB 4.36Å |
| 12 | G | 93 | Very high | 84.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 124.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | D25 F26 I27 Y68 | G12-D25 CarbonylContact O-C 3.56Å; G12-D25 WeakPolarHBondContact O-CA 3.3Å; G12-F26 VanDerWaalsContact C-CZ 3.41Å; G12-F26 VanDerWaalsContact O-CD1 3.27Å; G12-F26 WeakPolarHBondContact O-CD1 3.5Å; G12-F26 WeakPolarHBondContact O-CE1 3.25Å; G12-F26 PolarHBondContact O-N 3.25Å; G12-I27 PolarHBondContact N-O 3.02Å; G12-I27 PolarHBondContact O-N 3.46Å; G12-Y68 VanDerWaalsContact CA-CD1 3.47Å |
| 13 | H | 89.1 | Confident | 84 | Confident | 15 Ų | 15 | 42.7 Ų | 42.7 | 7% | 0.069 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 134.4 | -156 | 177.5 | 105.9 | 0 | 0 | 0 | 111.4 | I11 H23 D25 L66 R67 F69 | I11-H13 HydrophobicContact CG2-CB 4.22Å; H13-H23 WeakPolarHBondContact CE1-CB 3.4Å; H13-D25 IonicContact CE1-OD1 3.58Å; H13-D25 IonicContact CG-OD1 2.66Å; H13-D25 IonicContact ND1-OD1 3.2Å; H13-D25 PolarHBondContact ND1-OD1 3.12Å; H13-L66 WeakPolarHBondContact O-CA 3.41Å; H13-R67 HydrophobicContact CB-CG 4.19Å; H13-R67 PolarHBondContact N-O 2.99Å; H13-R67 PolarHBondContact O-N 2.98Å; H13-F69 HydrophobicContact CB-CE1 3.82Å |
| 14 | I | 90.5 | Very high | 83.4 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.9 | 169.2 | -65 | 170.3 | 0 | 0 | 0 | 109 | V16 H23 M24 F26 V64 K65 L66 I221 H222 R224 F225 | I14-V16 HydrophobicContact CG2-CG2 4.43Å; I14-H23 WeakPolarHBondContact O-CA 3.46Å; I14-M24 HydrophobicContact CD1-CE 4.04Å; I14-M24 PolarHBondContact N-O 3.19Å; I14-M24 PolarHBondContact O-N 2.99Å; I14-F26 HydrophobicContact CD1-CD1 4.02Å; I14-F26 HydrophobicContact CD1-CE1 4.37Å; I14-F26 HydrophobicContact CG1-CD1 3.8Å; I14-F26 HydrophobicContact CG1-CE1 3.87Å; I14-V64 HydrophobicContact CG2-CG2 3.7Å; I14-K65 WeakPolarHBondContact CA-O 3.15Å; I14-L66 HydrophobicContact CD1-CD1 4.21Å; I14-L66 HydrophobicContact CG1-CB 4.45Å; I14-L66 HydrophobicContact CG1-CD1 3.96Å; I14-L66 HydrophobicContact CG1-CG 4.03Å; I14-I221 HydrophobicContact CD1-CG2 4.17Å; I14-H222 HydrophobicContact CD1-CB 3.81Å; I14-R224 HydrophobicContact CD1-CB 4.32Å; I14-R224 HydrophobicContact CD1-CG 4.47Å; I14-R224 HydrophobicContact CG2-CB 4.23Å; I14-R224 HydrophobicContact CG2-CG 4.44Å; I14-F225 HydrophobicContact CD1-CD1 4.42Å; I14-F225 HydrophobicContact CD1-CE1 4.08Å; I14-F225 HydrophobicContact CG1-CE1 4.29Å; I14-F225 HydrophobicContact CG2-CD1 4.33Å; I14-F225 HydrophobicContact CG2-CE1 4.39Å |
| 15 | E | 87.3 | Confident | 83.3 | Confident | 59 Ų | 59 | 44.1 Ų | 44.1 | 28% | 0.276 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 126.1 | -177.6 | -157.1 | 173.9 | -161.4 | 0 | 0 | 108.3 | V64 K65 | E15-V64 CarbonylContact O-C 3.54Å; E15-V64 WeakPolarHBondContact O-CA 3.37Å; E15-K65 HydrophobicContact CB-CB 4.24Å; E15-K65 PolarHBondContact N-O 2.9Å; E15-K65 PolarHBondContact O-N 2.93Å |
| 16 | V | 82.9 | Confident | 83 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 116.1 | -177.8 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | I14 Y18 D19 R20 V64 I155 | I14-V16 HydrophobicContact CG2-CG2 4.43Å; V16-Y18 VanDerWaalsContact C-N 3.34Å; V16-Y18 HydrophobicContact CG1-CD1 3.71Å; V16-Y18 HydrophobicContact CG1-CD2 4.11Å; V16-Y18 HydrophobicContact CG1-CE1 3.38Å; V16-Y18 HydrophobicContact CG1-CE2 3.81Å; V16-Y18 HydrophobicContact CG1-CG 4.07Å; V16-Y18 VanDerWaalsContact CG1-CZ 3.44Å; V16-Y18 PolarHBondContact O-N 3.26Å; V16-D19 HydrophobicContact CG1-CB 4.49Å; V16-D19 CarbonylContact O-C 3.48Å; V16-D19 PolarHBondContact O-N 2.97Å; V16-R20 PolarHBondContact O-N 2.89Å; V16-V64 HydrophobicContact CG2-CG2 4.3Å; V16-I155 HydrophobicContact CG1-CG2 4.3Å |
| 17 | Y | 79.9 | Confident | 82.7 | Confident | 84 Ų | 84 | 45.3 Ų | 45.3 | 33% | 0.329 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -28.6 | -164.3 | -65.2 | -26.2 | 0 | 0 | 0 | 114.7 | D19 R20 S62 N63 K65 | Y17-D19 VanDerWaalsContact C-N 3.34Å; Y17-R20 WeakPolarHBondContact O-CG 3.39Å; Y17-S62 WeakPolarHBondContact CD2-O 3.41Å; Y17-N63 PolarHBondContact N-O 2.71Å; Y17-K65 HydrophobicContact CE1-CB 3.89Å |
| 18 | Y | 73.5 | Confident | 82.5 | Confident | 80 Ų | 80 | 45.4 Ų | 45.4 | 31% | 0.314 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -11.9 | 175.5 | 63.9 | -104.1 | 0 | 0 | 0 | 113.5 | V16 N63 I155 F181 | V16-Y18 VanDerWaalsContact C-N 3.34Å; V16-Y18 HydrophobicContact CG1-CD1 3.71Å; V16-Y18 HydrophobicContact CG1-CD2 4.11Å; V16-Y18 HydrophobicContact CG1-CE1 3.38Å; V16-Y18 HydrophobicContact CG1-CE2 3.81Å; V16-Y18 HydrophobicContact CG1-CG 4.07Å; V16-Y18 VanDerWaalsContact CG1-CZ 3.44Å; V16-Y18 PolarHBondContact O-N 3.26Å; Y18-N63 HydrophobicContact CD1-CB 4.3Å; Y18-I155 HydrophobicContact CE1-CB 4.35Å; Y18-I155 HydrophobicContact CE1-CD1 4.02Å; Y18-I155 HydrophobicContact CE1-CG2 4.12Å; Y18-I155 VanDerWaalsContact OH-CG2 3.23Å; Y18-I155 WeakPolarHBondContact OH-CG2 3.43Å; Y18-F181 HydrophobicContact CD1-CD2 4.3Å; Y18-F181 HydrophobicContact CD1-CE2 4.41Å; Y18-F181 HydrophobicContact CD2-CE2 4.06Å; Y18-F181 AromaticContact CE1-CD2 3.65Å; Y18-F181 HydrophobicContact CE1-CD2 3.65Å; Y18-F181 HydrophobicContact CE1-CE2 4.07Å; Y18-F181 HydrophobicContact CE1-CG 4.28Å; Y18-F181 AromaticContact CE2-CD2 3.99Å; Y18-F181 HydrophobicContact CE2-CD2 3.99Å; Y18-F181 AromaticContact CE2-CE2 3.7Å; Y18-F181 HydrophobicContact CE2-CE2 3.7Å; Y18-F181 HydrophobicContact CG-CE2 4.41Å; Y18-F181 AromaticContact CZ-CD2 3.47Å; Y18-F181 VanDerWaalsContact CZ-CD2 3.47Å; Y18-F181 AromaticContact CZ-CE2 3.7Å |
| 19 | D | 68 | Low | 82.3 | Confident | 59 Ų | 59 | 48 Ų | 48 | 32% | 0.316 | 24% | 0.241 | S | C | . | . | trans | -135.4 | 67.7 | 179.3 | -172.5 | 0.8 | 0 | 0 | 0 | 109.5 | V16 Y17 G21 N22 | V16-D19 HydrophobicContact CG1-CB 4.49Å; V16-D19 CarbonylContact O-C 3.48Å; V16-D19 PolarHBondContact O-N 2.97Å; Y17-D19 VanDerWaalsContact C-N 3.34Å; D19-G21 PolarHBondContact O-N 3.4Å; D19-N22 HydrophobicContact CB-CB 4.12Å; D19-N22 PolarHBondContact O-N 3.41Å; D19-N22 WeakPolarHBondContact OD1-CB 3.3Å; D19-N22 WeakPolarHBondContact OD2-CB 3.34Å; D19-N22 PolarHBondContact OD2-ND2 3.21Å | ||
| 20 | R | 57.5 | Low | 82.3 | Confident | 208 Ų | 208 | 51.5 Ų | 51.5 | 79% | 0.785 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16.9 | -171.2 | -63.7 | -173 | 177.9 | -168.4 | -2.8 | 114.5 | V16 Y17 H23 | V16-R20 PolarHBondContact O-N 2.89Å; Y17-R20 WeakPolarHBondContact O-CG 3.39Å; R20-H23 PolarHBondContact O-CE1 3.07Å; R20-H23 PolarHBondContact O-ND1 2.86Å |
| 21 | G | 61.9 | Low | 82.1 | Confident | 62 Ų | 62 | 55 Ų | 55 | 64% | 0.639 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -13.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D19 | D19-G21 PolarHBondContact O-N 3.4Š|
| 22 | N | 63 | Low | 82 | Confident | 50 Ų | 50 | 61.3 Ų | 61.3 | 27% | 0.267 | 31% | 0.307 | S | S | . | . | trans | -106.6 | 43.4 | -171.1 | -166.4 | -7.3 | 0 | 0 | 0 | 111.8 | D19 R224 | D19-N22 HydrophobicContact CB-CB 4.12Å; D19-N22 PolarHBondContact O-N 3.41Å; D19-N22 WeakPolarHBondContact OD1-CB 3.3Å; D19-N22 WeakPolarHBondContact OD2-CB 3.34Å; D19-N22 PolarHBondContact OD2-ND2 3.21Å; N22-R224 VanDerWaalsContact CG-NH1 3.33Å; N22-R224 PolarHBondContact ND2-NH1 3.46Å; N22-R224 PolarHBondContact OD1-NH1 3.16Å; N22-R224 PolarHBondContact OD1-NH2 3Å | ||
| 23 | H | 72 | Confident | 82 | Confident | 108 Ų | 108 | 63 Ų | 63 | 50% | 0.5 | 32% | 0.316 | S | S | . | . | trans | -67.7 | 145.3 | 168 | 31.2 | -92 | 0 | 0 | 0 | 110.8 | H13 I14 R20 | H13-H23 WeakPolarHBondContact CE1-CB 3.4Å; I14-H23 WeakPolarHBondContact O-CA 3.46Å; R20-H23 PolarHBondContact O-CE1 3.07Å; R20-H23 PolarHBondContact O-ND1 2.86Å | ||
| 24 | M | 80.3 | Confident | 82.1 | Confident | 35 Ų | 35 | 63.1 Ų | 63.1 | 17% | 0.172 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 103.6 | -170 | -166.7 | -155.3 | 81 | 0 | 0 | 111.4 | I14 F26 H222 R224 | I14-M24 HydrophobicContact CD1-CE 4.04Å; I14-M24 PolarHBondContact N-O 3.19Å; I14-M24 PolarHBondContact O-N 2.99Å; M24-F26 HydrophobicContact CE-CB 3.88Å; M24-F26 PolarHBondContact O-N 3.07Å; M24-H222 HydrophobicContact CE-CB 3.91Å; M24-H222 WeakPolarHBondContact CE-CD2 3.41Å; M24-R224 HydrophobicContact CE-CG 4.34Å; M24-R224 HydrophobicContact SD-CG 3.93Å; M24-R224 PolarHBondContact SD-NE 3.11Å; M24-R224 VanDerWaalsContact SD-NE 3.4Å |
| 25 | D | 87.2 | Confident | 82.1 | Confident | 69 Ų | 69 | 70 Ų | 70 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 108.7 | 171.4 | -66.6 | -4.8 | 0 | 0 | 0 | 108.9 | I11 G12 H13 | I11-D25 HydrophobicContact CG2-CB 4.19Å; I11-D25 VanDerWaalsContact CG2-CG 3.49Å; I11-D25 WeakPolarHBondContact CG2-OD1 3.46Å; G12-D25 CarbonylContact O-C 3.56Å; G12-D25 WeakPolarHBondContact O-CA 3.3Å; H13-D25 IonicContact CE1-OD1 3.58Å; H13-D25 IonicContact CG-OD1 2.66Å; H13-D25 IonicContact ND1-OD1 3.2Å; H13-D25 PolarHBondContact ND1-OD1 3.12Å |
| 26 | F | 87.4 | Confident | 82.2 | Confident | 17 Ų | 17 | 71.8 Ų | 71.8 | 8% | 0.075 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -18.1 | 176.3 | 58 | -96.1 | 0 | 0 | 0 | 112.7 | G12 I14 M24 P55 Y56 L66 Y68 | G12-F26 VanDerWaalsContact C-CZ 3.41Å; G12-F26 VanDerWaalsContact O-CD1 3.27Å; G12-F26 WeakPolarHBondContact O-CD1 3.5Å; G12-F26 WeakPolarHBondContact O-CE1 3.25Å; G12-F26 PolarHBondContact O-N 3.25Å; I14-F26 HydrophobicContact CD1-CD1 4.02Å; I14-F26 HydrophobicContact CD1-CE1 4.37Å; I14-F26 HydrophobicContact CG1-CD1 3.8Å; I14-F26 HydrophobicContact CG1-CE1 3.87Å; M24-F26 HydrophobicContact CE-CB 3.88Å; M24-F26 PolarHBondContact O-N 3.07Å; F26-P55 HydrophobicContact CD2-CG 4.29Å; F26-P55 HydrophobicContact CE2-CG 4.13Å; F26-Y56 HydrophobicContact CD1-CD2 4.45Å; F26-Y56 HydrophobicContact CD1-CE2 4.46Å; F26-Y56 AromaticContact CD2-CD2 3.97Å; F26-Y56 HydrophobicContact CD2-CD2 3.97Å; F26-Y56 AromaticContact CD2-CE2 3.8Å; F26-Y56 HydrophobicContact CD2-CE2 3.8Å; F26-Y56 HydrophobicContact CE1-CD2 4.2Å; F26-Y56 AromaticContact CE2-CD2 3.72Å; F26-Y56 HydrophobicContact CE2-CD2 3.72Å; F26-Y56 HydrophobicContact CE2-CE2 4.05Å; F26-Y56 HydrophobicContact CG-CD2 4.34Å; F26-Y56 HydrophobicContact CG-CE2 4.03Å; F26-Y56 AromaticContact CZ-CD2 3.85Å; F26-Y56 HydrophobicContact CZ-CD2 3.85Å; F26-Y56 HydrophobicContact CZ-CE2 4.47Å; F26-L66 HydrophobicContact CE1-CD1 4.12Å; F26-L66 HydrophobicContact CE1-CD2 4.12Å; F26-L66 HydrophobicContact CE1-CG 3.89Å; F26-L66 HydrophobicContact CZ-CD1 4.39Å; F26-L66 HydrophobicContact CZ-CD2 3.92Å; F26-L66 HydrophobicContact CZ-CG 4.2Å; F26-Y68 AromaticContact CE2-CE1 3.59Å; F26-Y68 HydrophobicContact CE2-CE1 3.59Å; F26-Y68 AromaticContact CE2-CZ 3.65Å; F26-Y68 WeakPolarHBondContact CE2-OH 3.45Å; F26-Y68 HydrophobicContact CZ-CD1 4.43Å; F26-Y68 AromaticContact CZ-CE1 3.68Å; F26-Y68 HydrophobicContact CZ-CE1 3.68Å; F26-Y68 HydrophobicContact CZ-CE2 4.17Å; F26-Y68 AromaticContact CZ-CZ 3.52Å; F26-Y68 WeakPolarHBondContact CZ-OH 3.41Å |
| 27 | I | 88.2 | Confident | 82.5 | Confident | 23 Ų | 23 | 73.3 Ų | 73.3 | 12% | 0.118 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 133.4 | 164.9 | -175.5 | 173.5 | 0 | 0 | 0 | 108.5 | F10 I11 G12 L29 V52 E53 Y68 | F10-I27 HydrophobicContact CE1-CD1 4.48Å; F10-I27 HydrophobicContact CE1-CG2 4.19Å; I11-I27 CarbonylContact C-O 3.55Å; I11-I27 WeakPolarHBondContact CA-O 3.45Å; G12-I27 PolarHBondContact N-O 3.02Å; G12-I27 PolarHBondContact O-N 3.46Å; I27-L29 HydrophobicContact CD1-CD1 4.11Å; I27-L29 HydrophobicContact CD1-CG 4.26Å; I27-L29 HydrophobicContact CG1-CG 4.12Å; I27-V52 HydrophobicContact CD1-CG1 4.2Å; I27-E53 HydrophobicContact CD1-CB 4.48Å; I27-E53 VanDerWaalsContact CD1-O 3.27Å; I27-E53 WeakPolarHBondContact CD1-O 3.27Å; I27-Y68 HydrophobicContact CG2-CD1 4.43Å; I27-Y68 HydrophobicContact CG2-CE1 4.04Å |
| 28 | S | 91.2 | Very high | 82.8 | Confident | 58 Ų | 58 | 74.7 Ų | 74.7 | 41% | 0.406 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 114.1 | 173.9 | -171.1 | 0 | 0 | 0 | 0 | 108.5 | F10 | F10-S28 WeakPolarHBondContact O-CA 3.5Å |
| 29 | L | 91.5 | Very high | 83.4 | Confident | 59 Ų | 59 | 72.2 Ų | 72.2 | 31% | 0.309 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 117 | -178.8 | -60.7 | 175.6 | 0 | 0 | 0 | 108.4 | E9 F10 I27 F49 V52 | E9-L29 CarbonylContact C-O 3.5Å; E9-L29 WeakPolarHBondContact CA-O 3.43Å; F10-L29 HydrophobicContact CB-CB 4.39Å; F10-L29 PolarHBondContact N-O 3.49Å; F10-L29 PolarHBondContact O-N 3.35Å; I27-L29 HydrophobicContact CD1-CD1 4.11Å; I27-L29 HydrophobicContact CD1-CG 4.26Å; I27-L29 HydrophobicContact CG1-CG 4.12Å; L29-F49 HydrophobicContact CB-CD1 3.81Å; L29-F49 HydrophobicContact CB-CE1 3.74Å; L29-F49 HydrophobicContact CD1-CD1 4.36Å; L29-F49 VanDerWaalsContact O-CE1 3.27Å; L29-F49 WeakPolarHBondContact O-CE1 3.3Å; L29-F49 VanDerWaalsContact O-CZ 3.24Å; L29-F49 WeakPolarHBondContact O-CZ 3.43Å; L29-V52 HydrophobicContact CD1-CB 4.33Å; L29-V52 HydrophobicContact CD1-CG1 4.03Å; L29-V52 HydrophobicContact CD1-CG2 3.77Å |
| 30 | V | 94 | Very high | 84.2 | Confident | 82 Ų | 82 | 76.3 Ų | 76.3 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 137.8 | -177 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | K7 E9 | K7-V30 HydrophobicContact CB-CG1 4.21Å; K7-V30 HydrophobicContact CD-CG1 4Å; E9-V30 HydrophobicContact CG-CG1 4.28Å; E9-V30 HydrophobicContact CG-CG2 4.04Å |
| 31 | K | 91.9 | Very high | 85.6 | Confident | 83 Ų | 83 | 73.4 Ų | 73.4 | 36% | 0.361 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 115.2 | 173.8 | -168.4 | 165.1 | -170.3 | 170.1 | 0 | 109.3 | K7 I8 E48 F49 | K7-K31 WeakPolarHBondContact CA-O 3.37Å; I8-K31 HydrophobicContact CG2-CB 4.16Å; I8-K31 PolarHBondContact N-O 3.41Å; I8-K31 PolarHBondContact O-N 3.21Å; K31-E48 WeakPolarHBondContact CD-O 3.47Å; K31-E48 PolarHBondContact NZ-O 2.99Å; K31-F49 HydrophobicContact CB-CE1 3.71Å; K31-F49 HydrophobicContact CB-CZ 3.81Å |
| 32 | E | 92.4 | Very high | 86.9 | Confident | 133 Ų | 133 | 78.7 Ų | 78.7 | 62% | 0.621 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 138.4 | 169.4 | -70 | -166.4 | 146.7 | 0 | 0 | 109.9 | ||
| 33 | L | 92.9 | Very high | 87.9 | Confident | 36 Ų | 36 | 79.3 Ų | 79.3 | 19% | 0.188 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -32.2 | 179.8 | -58.8 | -179.8 | 0 | 0 | 0 | 111.1 | I6 I8 Y45 F47 | I6-L33 HydrophobicContact CB-CB 4.37Å; I6-L33 HydrophobicContact CG2-CB 4.09Å; I6-L33 HydrophobicContact CG2-CD1 4.27Å; I6-L33 PolarHBondContact O-N 3.34Å; I8-L33 HydrophobicContact CB-CD1 3.95Å; I8-L33 HydrophobicContact CG2-CD1 3.91Å; I8-L33 HydrophobicContact CG2-CD2 3.98Å; I8-L33 HydrophobicContact CG2-CG 4.09Å; L33-Y45 HydrophobicContact CB-CD1 4.08Å; L33-Y45 HydrophobicContact CB-CG 3.99Å; L33-Y45 WeakPolarHBondContact O-CD1 3.23Å; L33-Y45 WeakPolarHBondContact O-CE1 3.42Å; L33-F47 HydrophobicContact CD2-CB 3.97Å |
| 34 | A | 91.1 | Very high | 88.8 | Confident | 16 Ų | 16 | 80.7 Ų | 80.7 | 13% | 0.132 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 139.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G5 I6 Y45 | G5-A34 WeakPolarHBondContact CA-O 3.38Å; I6-A34 HydrophobicContact CB-CB 4.05Å; I6-A34 HydrophobicContact CD1-CB 4.02Å; I6-A34 HydrophobicContact CG1-CB 4.05Å; I6-A34 PolarHBondContact N-O 3.28Å; I6-A34 PolarHBondContact O-N 3.45Å; A34-Y45 HydrophobicContact CB-CE1 3.98Å |
| 35 | Q | 89.5 | Confident | 89.4 | Confident | 147 Ų | 147 | 82.8 Ų | 82.8 | 69% | 0.687 | 44% | 0.444 | S | S | * | . | trans | -69.1 | 170.5 | 169.8 | -79 | -167.2 | 2 | 0 | 0 | 111.8 | H3 G37 | H3-Q35 PolarHBondContact CE1-O 3.43Å; H3-Q35 PolarHBondContact ND1-O 3.06Å; Q35-G37 PolarHBondContact O-N 2.94Å | ||
| 36 | P | 89.6 | Confident | 89.5 | Confident | 96 Ų | 96 | 85.1 Ų | 85.1 | 62% | 0.623 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -50.1 | 130.4 | 172.4 | -22 | 25.4 | 0 | 0 | 0 | 112.3 | H3 S4 | H3-P36 WeakPolarHBondContact O-CA 3.46Å; S4-P36 WeakPolarHBondContact O-CG 3.43Å |
| 37 | G | 88.7 | Confident | 89.8 | Confident | 35 Ų | 35 | 88.7 Ų | 88.7 | 36% | 0.361 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.3 | -164.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | H3 Q35 | H3-G37 PolarHBondContact N-O 3.21Å; H3-G37 PolarHBondContact O-N 3.17Å; Q35-G37 PolarHBondContact O-N 2.94Å |
| 38 | E | 87.6 | Confident | 89.9 | Confident | 113 Ų | 113 | 93.6 Ų | 93.6 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.3 | -179.9 | -163.9 | -178.6 | -173.3 | 0 | 0 | 113.1 | M1 L40 | M1-E38 PolarHBondContact N-OE1 3.27Å; E38-L40 HydrophobicContact CG-CD2 4.16Å; E38-L40 PolarHBondContact O-N 3.15Å |
| 39 | L | 85.4 | Confident | 89.8 | Confident | 28 Ų | 28 | 92.9 Ų | 92.9 | 15% | 0.147 | 49% | 0.49 | C | S | . | . | trans | -80.6 | 103.2 | 171.2 | -108.2 | 167.7 | 0 | 0 | 0 | 110.6 | M1 I6 Q41 T43 | M1-L39 HydrophobicContact CB-CB 4.07Å; M1-L39 PolarHBondContact N-O 2.93Å; M1-L39 PolarHBondContact O-N 2.93Å; I6-L39 HydrophobicContact CD1-CD1 3.59Å; I6-L39 HydrophobicContact CD1-CG 4.47Å; L39-Q41 VanDerWaalsContact CD2-O 3.23Å; L39-Q41 WeakPolarHBondContact CD2-O 3.41Å; L39-T43 HydrophobicContact CD2-CG2 4.47Å; L39-T43 WeakPolarHBondContact CD2-OG1 3.39Å | ||
| 40 | L | 85.6 | Confident | 89.4 | Confident | 145 Ų | 145 | 94.8 Ų | 94.8 | 76% | 0.759 | 51% | 0.505 | S | S | * | . | trans | -90.5 | -20.6 | -177.8 | -65.6 | 175.1 | 0 | 0 | 0 | 114.5 | E38 | E38-L40 HydrophobicContact CG-CD2 4.16Å; E38-L40 PolarHBondContact O-N 3.15Å | ||
| 41 | Q | 86.9 | Confident | 88.7 | Confident | 147 Ų | 147 | 100.7 Ų | 100.7 | 69% | 0.687 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -147.3 | 165.3 | -179.7 | 65.4 | -177.3 | -1.7 | 0 | 0 | 110.2 | L39 T43 | L39-Q41 VanDerWaalsContact CD2-O 3.23Å; L39-Q41 WeakPolarHBondContact CD2-O 3.41Å; Q41-T43 HydrophobicContact CG-CG2 4.02Å; Q41-T43 PolarHBondContact O-N 3.43Å |
| 42 | N | 88.3 | Confident | 88.2 | Confident | 172 Ų | 172 | 97.7 Ų | 97.7 | 92% | 0.92 | 51% | 0.512 | S | S | * | . | trans | -64.7 | 118.3 | 172.4 | -73.6 | -13 | 0 | 0 | 0 | 110.1 | ||||
| 43 | T | 85.1 | Confident | 87.4 | Confident | 64 Ų | 64 | 96.6 Ų | 96.6 | 39% | 0.393 | 51% | 0.507 | S | S | . | . | trans | -121.8 | 154.8 | 175.1 | 56.2 | 0 | 0 | 0 | 0 | 110.9 | L39 Q41 Y45 | L39-T43 HydrophobicContact CD2-CG2 4.47Å; L39-T43 WeakPolarHBondContact CD2-OG1 3.39Å; Q41-T43 HydrophobicContact CG-CG2 4.02Å; Q41-T43 PolarHBondContact O-N 3.43Å; T43-Y45 WeakPolarHBondContact OG1-CE2 3.41Å; T43-Y45 PolarHBondContact OG1-OH 2.99Å | ||
| 44 | V | 90.8 | Very high | 87.2 | Confident | 137 Ų | 137 | 99.4 Ų | 99.4 | 83% | 0.83 | 52% | 0.518 | S | S | * | . | trans | -112.9 | 128.3 | 175.3 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 45 | Y | 91.1 | Very high | 87 | Confident | 78 Ų | 78 | 99.7 Ų | 99.7 | 31% | 0.306 | 52% | 0.518 | S | S | . | . | trans | -104.8 | 111.8 | 178 | -64.8 | -87.9 | 0 | 0 | 0 | 109.2 | I6 L33 A34 T43 F47 | I6-Y45 HydrophobicContact CD1-CE2 4.19Å; L33-Y45 HydrophobicContact CB-CD1 4.08Å; L33-Y45 HydrophobicContact CB-CG 3.99Å; L33-Y45 WeakPolarHBondContact O-CD1 3.23Å; L33-Y45 WeakPolarHBondContact O-CE1 3.42Å; A34-Y45 HydrophobicContact CB-CE1 3.98Å; T43-Y45 WeakPolarHBondContact OG1-CE2 3.41Å; T43-Y45 PolarHBondContact OG1-OH 2.99Å; Y45-F47 PolarHBondContact O-N 3.45Å | ||
| 46 | P | 90.9 | Very high | 87.1 | Confident | 118 Ų | 118 | 93.8 Ų | 93.8 | 77% | 0.766 | 49% | 0.49 | S | S | * | . | trans | -68.1 | 132.8 | 174.8 | 28.6 | -33.1 | 0 | 0 | 0 | 109.5 | ||||
| 47 | F | 92.7 | Very high | 87.4 | Confident | 93 Ų | 93 | 89.7 Ų | 89.7 | 41% | 0.408 | 46% | 0.462 | S | S | . | . | trans | -126.6 | 153.1 | 173.5 | 74.5 | -88.1 | 0 | 0 | 0 | 110.2 | I8 L33 Y45 F49 L70 | I8-F47 HydrophobicContact CD1-CD1 3.69Å; I8-F47 HydrophobicContact CD1-CD2 3.81Å; I8-F47 HydrophobicContact CD1-CE1 3.55Å; I8-F47 HydrophobicContact CD1-CE2 3.69Å; I8-F47 HydrophobicContact CD1-CG 3.82Å; I8-F47 HydrophobicContact CD1-CZ 3.56Å; I8-F47 HydrophobicContact CG2-CB 3.85Å; I8-F47 HydrophobicContact CG2-CD2 4.26Å; I8-F47 HydrophobicContact CG2-CG 4.01Å; L33-F47 HydrophobicContact CD2-CB 3.97Å; Y45-F47 PolarHBondContact O-N 3.45Å; F47-F49 HydrophobicContact CD2-CD2 4.13Å; F47-F49 HydrophobicContact CD2-CE2 4.12Å; F47-F49 HydrophobicContact CE2-CD2 4.48Å; F47-L70 HydrophobicContact CE2-CD1 4.11Å; F47-L70 HydrophobicContact CE2-CD2 4.07Å; F47-L70 HydrophobicContact CZ-CD1 4Å | ||
| 48 | E | 90.1 | Very high | 87.6 | Confident | 126 Ų | 126 | 89.3 Ų | 89.3 | 59% | 0.589 | 45% | 0.454 | S | S | * | . | trans | -150.7 | 134.6 | 174 | -175.6 | -176.5 | -162.2 | 0 | 0 | 107.2 | K31 T50 | K31-E48 WeakPolarHBondContact CD-O 3.47Å; K31-E48 PolarHBondContact NZ-O 2.99Å; E48-T50 HydrophobicContact CG-CG2 4.01Å; E48-T50 WeakPolarHBondContact OE1-CG2 3.42Å | ||
| 49 | F | 89.4 | Confident | 88 | Confident | 42 Ų | 42 | 84.3 Ų | 84.3 | 18% | 0.184 | 43% | 0.43 | C | S | . | . | trans | -115.4 | 110.2 | 164.3 | -64.2 | -77.9 | 0 | 0 | 0 | 106.8 | I8 F10 L29 K31 F47 V52 L70 | I8-F49 HydrophobicContact CG2-CE2 4.08Å; I8-F49 HydrophobicContact CG2-CZ 4.05Å; F10-F49 HydrophobicContact CB-CD2 3.97Å; F10-F49 HydrophobicContact CB-CE2 3.95Å; F10-F49 HydrophobicContact CB-CG 4.44Å; F10-F49 HydrophobicContact CB-CZ 4.41Å; L29-F49 HydrophobicContact CB-CD1 3.81Å; L29-F49 HydrophobicContact CB-CE1 3.74Å; L29-F49 HydrophobicContact CD1-CD1 4.36Å; L29-F49 VanDerWaalsContact O-CE1 3.27Å; L29-F49 WeakPolarHBondContact O-CE1 3.3Å; L29-F49 VanDerWaalsContact O-CZ 3.24Å; L29-F49 WeakPolarHBondContact O-CZ 3.43Å; K31-F49 HydrophobicContact CB-CE1 3.71Å; K31-F49 HydrophobicContact CB-CZ 3.81Å; F47-F49 HydrophobicContact CD2-CD2 4.13Å; F47-F49 HydrophobicContact CD2-CE2 4.12Å; F47-F49 HydrophobicContact CE2-CD2 4.48Å; F49-V52 HydrophobicContact CB-CG2 3.3Å; F49-V52 HydrophobicContact CG-CG2 4.42Å; F49-V52 WeakPolarHBondContact O-CG2 3.37Å; F49-L70 HydrophobicContact CD2-CD2 4.35Å; F49-L70 HydrophobicContact CE2-CD2 4.06Å | ||
| 50 | T | 83.8 | Confident | 88.3 | Confident | 100 Ų | 100 | 87.1 Ų | 87.1 | 61% | 0.613 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 151.4 | 177.7 | 48.6 | 0 | 0 | 0 | 0 | 110.5 | E48 V52 | E48-T50 HydrophobicContact CG-CG2 4.01Å; E48-T50 WeakPolarHBondContact OE1-CG2 3.42Å; T50-V52 PolarHBondContact O-N 3.35Å |
| 51 | K | 78 | Confident | 88.5 | Confident | 205 Ų | 205 | 80.9 Ų | 80.9 | 89% | 0.891 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 35.3 | 176.1 | -61.2 | -170.5 | 175.3 | -171.5 | 0 | 115.6 | E53 | K51-E53 PolarHBondContact O-N 3.31Š|
| 52 | V | 82 | Confident | 88.5 | Confident | 20 Ų | 20 | 76.7 Ų | 76.7 | 12% | 0.121 | 41% | 0.409 | C | S | . | . | trans | -64.5 | 108 | 179 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | F10 I27 L29 F49 T50 K54 | F10-V52 HydrophobicContact CD1-CG1 3.44Å; F10-V52 VanDerWaalsContact CD1-CG1 3.44Å; F10-V52 HydrophobicContact CD2-CG1 4.31Å; F10-V52 HydrophobicContact CE1-CG1 3.26Å; F10-V52 HydrophobicContact CE2-CG1 4.14Å; F10-V52 HydrophobicContact CG-CG1 3.99Å; F10-V52 HydrophobicContact CZ-CG1 3.65Å; I27-V52 HydrophobicContact CD1-CG1 4.2Å; L29-V52 HydrophobicContact CD1-CB 4.33Å; L29-V52 HydrophobicContact CD1-CG1 4.03Å; L29-V52 HydrophobicContact CD1-CG2 3.77Å; F49-V52 HydrophobicContact CB-CG2 3.3Å; F49-V52 HydrophobicContact CG-CG2 4.42Å; F49-V52 WeakPolarHBondContact O-CG2 3.37Å; T50-V52 PolarHBondContact O-N 3.35Å; V52-K54 HydrophobicContact CG1-CG 4.26Å; V52-K54 PolarHBondContact O-NZ 3.44Å | ||
| 53 | E | 76.2 | Confident | 88.4 | Confident | 111 Ų | 111 | 70.2 Ų | 70.2 | 52% | 0.519 | 38% | 0.375 | S | S | . | . | trans | -62.9 | 133.7 | 172.1 | -62.9 | -169.5 | 139.5 | 0 | 0 | 110.9 | I27 K51 P55 H1355 | I27-E53 HydrophobicContact CD1-CB 4.48Å; I27-E53 VanDerWaalsContact CD1-O 3.27Å; I27-E53 WeakPolarHBondContact CD1-O 3.27Å; K51-E53 PolarHBondContact O-N 3.31Å; E53-P55 VanDerWaalsContact C-CD 3.46Å; E53-H1355 IonicContact OE2-CE1 3.98Å; E53-H1355 PolarHBondContact OE2-CE1 2.93Å; E53-H1355 IonicContact OE2-NE2 2.6Å | ||
| 54 | K | 89 | Confident | 88.6 | Confident | 95 Ų | 95 | 67.2 Ų | 67.2 | 41% | 0.413 | 36% | 0.356 | S | S | . | . | trans | -130.5 | 69.9 | 177.4 | -63.5 | 176.5 | -150.6 | 67.9 | 0 | 107.6 | F10 V52 Y56 Y68 V89 | F10-K54 HydrophobicContact CE1-CG 4.49Å; F10-K54 HydrophobicContact CZ-CD 4.05Å; F10-K54 HydrophobicContact CZ-CG 3.99Å; V52-K54 HydrophobicContact CG1-CG 4.26Å; V52-K54 PolarHBondContact O-NZ 3.44Å; K54-Y56 VanDerWaalsContact C-N 3.25Å; K54-Y56 PolarHBondContact O-N 3.44Å; K54-Y68 VanDerWaalsContact C-OH 3.3Å; K54-Y68 HydrophobicContact CB-CE1 4.2Å; K54-Y68 HydrophobicContact CG-CD1 4.49Å; K54-Y68 HydrophobicContact CG-CE1 4.21Å; K54-V89 HydrophobicContact CB-CG1 3.8Å; K54-V89 HydrophobicContact CB-CG2 3.96Å; K54-V89 HydrophobicContact CD-CG2 3.71Å; K54-V89 HydrophobicContact CG-CG2 4.16Å | ||
| 55 | P | 86.6 | Confident | 88.6 | Confident | 21 Ų | 21 | 63 Ų | 63 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | trans | -68.2 | -16.4 | -161.6 | 23.9 | -36.1 | 0 | 0 | 0 | 115.5 | F26 E53 Y68 L1352 | F26-P55 HydrophobicContact CD2-CG 4.29Å; F26-P55 HydrophobicContact CE2-CG 4.13Å; E53-P55 VanDerWaalsContact C-CD 3.46Å; P55-Y68 WeakPolarHBondContact CD-OH 3.31Å; P55-L1352 HydrophobicContact CB-CD1 3.61Å; P55-L1352 HydrophobicContact CB-CD2 3.82Å; P55-L1352 HydrophobicContact CB-CG 3.94Å | ||
| 56 | Y | 92.1 | Very high | 88.7 | Confident | 24 Ų | 24 | 59.5 Ų | 59.5 | 9% | 0.094 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -130.9 | 145.6 | -170.8 | -47.6 | -52.7 | 0 | 0 | 0 | 110.5 | F26 K54 L66 Y68 V89 I221 H222 | F26-Y56 HydrophobicContact CD1-CD2 4.45Å; F26-Y56 HydrophobicContact CD1-CE2 4.46Å; F26-Y56 AromaticContact CD2-CD2 3.97Å; F26-Y56 HydrophobicContact CD2-CD2 3.97Å; F26-Y56 AromaticContact CD2-CE2 3.8Å; F26-Y56 HydrophobicContact CD2-CE2 3.8Å; F26-Y56 HydrophobicContact CE1-CD2 4.2Å; F26-Y56 AromaticContact CE2-CD2 3.72Å; F26-Y56 HydrophobicContact CE2-CD2 3.72Å; F26-Y56 HydrophobicContact CE2-CE2 4.05Å; F26-Y56 HydrophobicContact CG-CD2 4.34Å; F26-Y56 HydrophobicContact CG-CE2 4.03Å; F26-Y56 AromaticContact CZ-CD2 3.85Å; F26-Y56 HydrophobicContact CZ-CD2 3.85Å; F26-Y56 HydrophobicContact CZ-CE2 4.47Å; K54-Y56 VanDerWaalsContact C-N 3.25Å; K54-Y56 PolarHBondContact O-N 3.44Å; Y56-L66 HydrophobicContact CD2-CD1 3.96Å; Y56-L66 HydrophobicContact CG-CD1 4.09Å; Y56-Y68 PolarHBondContact N-OH 2.92Å; Y56-Y68 VanDerWaalsContact N-OH 3.17Å; Y56-Y68 VanDerWaalsContact O-CE2 3.29Å; Y56-Y68 WeakPolarHBondContact O-CE2 3.4Å; Y56-Y68 PolarHBondContact O-OH 3.35Å; Y56-V89 VanDerWaalsContact O-CG1 3.29Å; Y56-V89 WeakPolarHBondContact O-CG1 3.4Å; Y56-I221 HydrophobicContact CD1-CD1 4.07Å; Y56-I221 HydrophobicContact CD1-CG2 4.02Å; Y56-I221 HydrophobicContact CD2-CG2 3.98Å; Y56-I221 HydrophobicContact CE1-CG2 4.44Å; Y56-I221 HydrophobicContact CE2-CG2 4.39Å; Y56-I221 HydrophobicContact CG-CG2 3.78Å; Y56-H222 HydrophobicContact CE2-CB 4.09Å; Y56-H222 AromaticContact CE2-ND1 3.96Å; Y56-H222 PolarHBondContact OH-ND1 3.45Å |
| 57 | E | 94.2 | Very high | 88.9 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | trans | -71.2 | 139.2 | 172.1 | 173.8 | 150.6 | 136 | 0 | 0 | 109.9 | Y59 V89 H90 T91 P216 M218 R253 | E57-Y59 PolarHBondContact O-N 3.4Å; E57-V89 WeakPolarHBondContact CA-O 3.38Å; E57-V89 WeakPolarHBondContact CG-O 3.41Å; E57-H90 IonicContact OE1-CD2 2.63Å; E57-H90 VanDerWaalsContact OE2-CA 3.23Å; E57-H90 WeakPolarHBondContact OE2-CA 3.24Å; E57-H90 IonicContact OE2-CD2 3.16Å; E57-H90 IonicContact OE2-CG 2.71Å; E57-T91 PolarHBondContact N-OG1 3.24Å; E57-T91 PolarHBondContact OE2-N 3.41Å; E57-P216 WeakPolarHBondContact OE1-CD 3.46Å; E57-P216 WeakPolarHBondContact OE1-CG 3.48Å; E57-M218 HydrophobicContact CB-CE 3.99Å; E57-M218 HydrophobicContact CG-CE 4.05Å; E57-R253 VanDerWaalsContact CD-NE 3.32Å; E57-R253 IonicContact OE1-CZ 3.29Å; E57-R253 IonicContact OE1-NE 2.71Å; E57-R253 PolarHBondContact OE1-NE 3.46Å; E57-R253 IonicContact OE1-NH2 2.95Å; E57-R253 PolarHBondContact OE1-NH2 3.11Å; E57-R253 WeakPolarHBondContact OE2-CD 3.33Å; E57-R253 IonicContact OE2-CZ 3.08Å; E57-R253 IonicContact OE2-NE 3.75Å; E57-R253 PolarHBondContact OE2-NE 2.94Å | ||
| 58 | S | 94.5 | Very high | 89 | Confident | 27 Ų | 27 | 51.3 Ų | 51.3 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | trans | -59.8 | 134.4 | 175.3 | -64.2 | 0 | 0 | 0 | 0 | 110.7 | L66 V89 | S58-L66 WeakPolarHBondContact CA-O 3.19Å; S58-V89 PolarHBondContact N-O 3.34Å; S58-V89 PolarHBondContact OG-N 2.63Å | ||
| 59 | Y | 95.1 | Very high | 89.3 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 138.2 | -173.4 | -174.3 | -115.6 | 0 | 0 | 0 | 110.7 | E57 G61 V64 K65 L66 K151 E153 T215 M218 F225 V227 | E57-Y59 PolarHBondContact O-N 3.4Å; Y59-G61 VanDerWaalsContact CZ-CA 3.47Å; Y59-G61 WeakPolarHBondContact OH-CA 3.45Å; Y59-V64 HydrophobicContact CD1-CG1 4.15Å; Y59-V64 HydrophobicContact CE1-CG1 3.98Å; Y59-K65 CarbonylContact O-C 3.5Å; Y59-K65 WeakPolarHBondContact O-CA 3.4Å; Y59-L66 PolarHBondContact N-O 2.91Å; Y59-L66 PolarHBondContact O-N 3.31Å; Y59-K151 WeakPolarHBondContact OH-CE 3.4Å; Y59-E153 VanDerWaalsContact CE1-OE2 3.31Å; Y59-E153 WeakPolarHBondContact CE1-OE2 3.36Å; Y59-E153 PolarHBondContact OH-OE2 3.1Å; Y59-T215 HydrophobicContact CD2-CG2 4.02Å; Y59-T215 HydrophobicContact CE2-CG2 4Å; Y59-M218 HydrophobicContact CD1-SD 4.5Å; Y59-M218 HydrophobicContact CD2-CE 3.84Å; Y59-M218 HydrophobicContact CD2-SD 3.8Å; Y59-M218 HydrophobicContact CG-CE 4.14Å; Y59-M218 HydrophobicContact CG-SD 3.81Å; Y59-F225 HydrophobicContact CD1-CD2 4.33Å; Y59-F225 AromaticContact CD1-CE2 3.54Å; Y59-F225 HydrophobicContact CD1-CE2 3.54Å; Y59-F225 HydrophobicContact CD1-CZ 4Å; Y59-F225 HydrophobicContact CE1-CD2 4.49Å; Y59-F225 HydrophobicContact CE1-CE2 4.08Å; Y59-F225 HydrophobicContact CG-CE2 4.15Å; Y59-F225 HydrophobicContact CG-CZ 4.45Å; Y59-V227 HydrophobicContact CD1-CG2 4.19Å; Y59-V227 HydrophobicContact CD2-CG2 4.32Å; Y59-V227 HydrophobicContact CE1-CG2 3.61Å; Y59-V227 HydrophobicContact CE2-CG1 4.29Å; Y59-V227 HydrophobicContact CE2-CG2 3.79Å; Y59-V227 VanDerWaalsContact CZ-CG2 3.42Å |
| 60 | C | 91.9 | Very high | 89.6 | Confident | 88 Ų | 88 | 44.5 Ų | 44.5 | 60% | 0.595 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 95.9 | 171.5 | -144.2 | 0 | 0 | 0 | 0 | 107 | ||
| 61 | G | 89.4 | Confident | 90.2 | Very high | 13 Ų | 13 | 42.4 Ų | 42.4 | 13% | 0.134 | 21% | 0.214 | C | C | . | . | trans | -95.1 | -172.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y59 V64 E153 | Y59-G61 VanDerWaalsContact CZ-CA 3.47Å; Y59-G61 WeakPolarHBondContact OH-CA 3.45Å; G61-V64 VanDerWaalsContact CA-O 3.25Å; G61-V64 WeakPolarHBondContact CA-O 3.44Å; G61-V64 PolarHBondContact N-O 3.45Å; G61-E153 WeakPolarHBondContact CA-OE2 3.44Å | ||
| 62 | S | 87 | Confident | 91 | Very high | 60 Ų | 60 | 35.1 Ų | 35.1 | 42% | 0.42 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -76.3 | -35.6 | 177.2 | -62.2 | 0 | 0 | 0 | 0 | 112 | Y17 E153 | Y17-S62 WeakPolarHBondContact CD2-O 3.41Å; S62-E153 PolarHBondContact N-OE1 3.4Å; S62-E153 PolarHBondContact N-OE2 3.34Å |
| 63 | N | 86.2 | Confident | 91.7 | Very high | 36 Ų | 36 | 34.2 Ų | 34.2 | 19% | 0.193 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -129.2 | -6.5 | -175.1 | -70.3 | -73.8 | 0 | 0 | 0 | 113.2 | Y17 Y18 E153 I155 E183 | Y17-N63 PolarHBondContact N-O 2.71Å; Y18-N63 HydrophobicContact CD1-CB 4.3Å; N63-E153 PolarHBondContact N-OE1 2.75Å; N63-I155 HydrophobicContact CB-CD1 3.28Å; N63-E183 PolarHBondContact ND2-OE2 3.2Å |
| 64 | V | 89.3 | Confident | 92.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 143.6 | 179.4 | 64.7 | 0 | 0 | 0 | 0 | 112.8 | I14 E15 V16 Y59 G61 E153 I155 F225 | I14-V64 HydrophobicContact CG2-CG2 3.7Å; E15-V64 CarbonylContact O-C 3.54Å; E15-V64 WeakPolarHBondContact O-CA 3.37Å; V16-V64 HydrophobicContact CG2-CG2 4.3Å; Y59-V64 HydrophobicContact CD1-CG1 4.15Å; Y59-V64 HydrophobicContact CE1-CG1 3.98Å; G61-V64 VanDerWaalsContact CA-O 3.25Å; G61-V64 WeakPolarHBondContact CA-O 3.44Å; G61-V64 PolarHBondContact N-O 3.45Å; V64-E153 HydrophobicContact CG1-CG 4.29Å; V64-E153 PolarHBondContact N-OE1 2.87Å; V64-I155 HydrophobicContact CB-CD1 3.69Å; V64-I155 HydrophobicContact CB-CG1 4.19Å; V64-I155 HydrophobicContact CG1-CD1 3.9Å; V64-I155 HydrophobicContact CG1-CG1 4.08Å; V64-F225 HydrophobicContact CB-CG 4.46Å; V64-F225 HydrophobicContact CG1-CB 3.96Å; V64-F225 HydrophobicContact CG1-CD1 4.17Å; V64-F225 HydrophobicContact CG1-CD2 3.7Å; V64-F225 HydrophobicContact CG1-CE2 4.19Å; V64-F225 HydrophobicContact CG1-CG 3.7Å; V64-F225 HydrophobicContact CG2-CB 4.38Å; V64-F225 HydrophobicContact CG2-CD1 3.69Å; V64-F225 HydrophobicContact CG2-CE1 4.06Å; V64-F225 HydrophobicContact CG2-CG 4.04Å |
| 65 | K | 91.4 | Very high | 92.6 | Very high | 50 Ų | 50 | 27 Ų | 27 | 22% | 0.217 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.2 | 174.6 | -173.2 | -176.5 | -179.8 | -171.4 | 0 | 110.6 | I14 E15 Y17 Y59 | I14-K65 WeakPolarHBondContact CA-O 3.15Å; E15-K65 HydrophobicContact CB-CB 4.24Å; E15-K65 PolarHBondContact N-O 2.9Å; E15-K65 PolarHBondContact O-N 2.93Å; Y17-K65 HydrophobicContact CE1-CB 3.89Å; Y59-K65 CarbonylContact O-C 3.5Å; Y59-K65 WeakPolarHBondContact O-CA 3.4Å |
| 66 | L | 93.9 | Very high | 92.7 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 110.1 | 170.3 | -167.5 | 158.8 | 0 | 0 | 0 | 108.9 | H13 I14 F26 Y56 S58 Y59 Y68 I221 F225 | H13-L66 WeakPolarHBondContact O-CA 3.41Å; I14-L66 HydrophobicContact CD1-CD1 4.21Å; I14-L66 HydrophobicContact CG1-CB 4.45Å; I14-L66 HydrophobicContact CG1-CD1 3.96Å; I14-L66 HydrophobicContact CG1-CG 4.03Å; F26-L66 HydrophobicContact CE1-CD1 4.12Å; F26-L66 HydrophobicContact CE1-CD2 4.12Å; F26-L66 HydrophobicContact CE1-CG 3.89Å; F26-L66 HydrophobicContact CZ-CD1 4.39Å; F26-L66 HydrophobicContact CZ-CD2 3.92Å; F26-L66 HydrophobicContact CZ-CG 4.2Å; Y56-L66 HydrophobicContact CD2-CD1 3.96Å; Y56-L66 HydrophobicContact CG-CD1 4.09Å; S58-L66 WeakPolarHBondContact CA-O 3.19Å; Y59-L66 PolarHBondContact N-O 2.91Å; Y59-L66 PolarHBondContact O-N 3.31Å; L66-Y68 HydrophobicContact CD2-CD2 4.12Å; L66-Y68 HydrophobicContact CD2-CE2 3.58Å; L66-I221 HydrophobicContact CD1-CG2 3.49Å; L66-I221 VanDerWaalsContact CD1-CG2 3.49Å; L66-F225 HydrophobicContact CB-CE1 4.34Å; L66-F225 HydrophobicContact CB-CZ 4.18Å; L66-F225 HydrophobicContact CD1-CE1 4.02Å; L66-F225 HydrophobicContact CD1-CZ 4.06Å |
| 67 | R | 93.9 | Very high | 92.1 | Very high | 38 Ų | 38 | 40.6 Ų | 40.6 | 14% | 0.143 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 148.4 | 179.9 | 62.8 | -174.6 | -73.4 | -126.9 | -2.6 | 111.1 | H13 F69 E84 D86 | H13-R67 HydrophobicContact CB-CG 4.19Å; H13-R67 PolarHBondContact N-O 2.99Å; H13-R67 PolarHBondContact O-N 2.98Å; R67-F69 HydrophobicContact CG-CD1 3.98Å; R67-F69 HydrophobicContact CG-CE1 4.11Å; R67-E84 IonicContact CZ-OE2 2.81Å; R67-E84 IonicContact NH1-OE2 3.26Å; R67-E84 PolarHBondContact NH1-OE2 3.21Å; R67-E84 IonicContact NH2-OE2 2.73Å; R67-E84 PolarHBondContact NH2-OE2 3.16Å; R67-D86 IonicContact CZ-OD1 3.56Å; R67-D86 IonicContact NE-OD1 3.4Å; R67-D86 PolarHBondContact NE-OD1 2.99Å; R67-D86 IonicContact NE-OD2 3.74Å; R67-D86 IonicContact NH2-OD1 2.64Å; R67-D86 PolarHBondContact NH2-OD1 3.15Å |
| 68 | Y | 95.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 146 | 162 | -65.1 | -95.7 | 0 | 0 | 0 | 108.7 | F10 I11 G12 F26 I27 K54 P55 Y56 L66 L87 V89 | F10-Y68 AromaticContact CE1-CD1 3.77Å; F10-Y68 HydrophobicContact CE1-CD1 3.77Å; F10-Y68 HydrophobicContact CE1-CE1 4.37Å; F10-Y68 AromaticContact CZ-CD1 3.61Å; F10-Y68 HydrophobicContact CZ-CD1 3.61Å; F10-Y68 HydrophobicContact CZ-CE1 4.42Å; F10-Y68 HydrophobicContact CZ-CG 4.26Å; I11-Y68 CarbonylContact O-C 3.36Å; I11-Y68 WeakPolarHBondContact O-CA 3.23Å; G12-Y68 VanDerWaalsContact CA-CD1 3.47Å; F26-Y68 AromaticContact CE2-CE1 3.59Å; F26-Y68 HydrophobicContact CE2-CE1 3.59Å; F26-Y68 AromaticContact CE2-CZ 3.65Å; F26-Y68 WeakPolarHBondContact CE2-OH 3.45Å; F26-Y68 HydrophobicContact CZ-CD1 4.43Å; F26-Y68 AromaticContact CZ-CE1 3.68Å; F26-Y68 HydrophobicContact CZ-CE1 3.68Å; F26-Y68 HydrophobicContact CZ-CE2 4.17Å; F26-Y68 AromaticContact CZ-CZ 3.52Å; F26-Y68 WeakPolarHBondContact CZ-OH 3.41Å; I27-Y68 HydrophobicContact CG2-CD1 4.43Å; I27-Y68 HydrophobicContact CG2-CE1 4.04Å; K54-Y68 VanDerWaalsContact C-OH 3.3Å; K54-Y68 HydrophobicContact CB-CE1 4.2Å; K54-Y68 HydrophobicContact CG-CD1 4.49Å; K54-Y68 HydrophobicContact CG-CE1 4.21Å; P55-Y68 WeakPolarHBondContact CD-OH 3.31Å; Y56-Y68 PolarHBondContact N-OH 2.92Å; Y56-Y68 VanDerWaalsContact N-OH 3.17Å; Y56-Y68 VanDerWaalsContact O-CE2 3.29Å; Y56-Y68 WeakPolarHBondContact O-CE2 3.4Å; Y56-Y68 PolarHBondContact O-OH 3.35Å; L66-Y68 HydrophobicContact CD2-CD2 4.12Å; L66-Y68 HydrophobicContact CD2-CE2 3.58Å; Y68-L87 PolarHBondContact O-N 3.48Å; Y68-V89 HydrophobicContact CD1-CG2 4.43Å; Y68-V89 HydrophobicContact CD2-CB 3.74Å; Y68-V89 HydrophobicContact CD2-CG2 3.29Å; Y68-V89 HydrophobicContact CE2-CB 3.67Å; Y68-V89 HydrophobicContact CE2-CG1 4.11Å; Y68-V89 HydrophobicContact CE2-CG2 3.58Å; Y68-V89 HydrophobicContact CG-CG2 3.76Å |
| 69 | F | 95.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 156.6 | 177.7 | 56.5 | -81 | 0 | 0 | 0 | 112.6 | I11 H13 R67 R71 E84 M85 | I11-F69 HydrophobicContact CB-CD1 4.4Å; I11-F69 HydrophobicContact CB-CD2 4.4Å; I11-F69 HydrophobicContact CB-CE1 4.06Å; I11-F69 HydrophobicContact CB-CE2 4.05Å; I11-F69 HydrophobicContact CB-CZ 3.87Å; I11-F69 HydrophobicContact CD1-CE2 3.8Å; I11-F69 HydrophobicContact CD1-CZ 4.04Å; I11-F69 HydrophobicContact CG1-CE2 4.39Å; I11-F69 HydrophobicContact CG2-CE1 3.87Å; I11-F69 HydrophobicContact CG2-CE2 4.41Å; I11-F69 HydrophobicContact CG2-CZ 3.75Å; I11-F69 PolarHBondContact N-O 3.18Å; I11-F69 PolarHBondContact O-N 3Å; H13-F69 HydrophobicContact CB-CE1 3.82Å; R67-F69 HydrophobicContact CG-CD1 3.98Å; R67-F69 HydrophobicContact CG-CE1 4.11Å; F69-R71 HydrophobicContact CD2-CB 4.12Å; F69-R71 HydrophobicContact CE2-CB 4.13Å; F69-E84 HydrophobicContact CD2-CB 4.21Å; F69-E84 HydrophobicContact CD2-CG 3.91Å; F69-E84 VanDerWaalsContact CE2-CD 3.41Å; F69-E84 HydrophobicContact CE2-CG 4.08Å; F69-E84 WeakPolarHBondContact CE2-OE1 3.44Å; F69-M85 CarbonylContact C-O 3.51Å; F69-M85 WeakPolarHBondContact CA-O 3.44Å; F69-M85 VanDerWaalsContact CB-O 3.31Å; F69-M85 WeakPolarHBondContact CB-O 3.17Å |
| 70 | L | 96 | Very high | 90.4 | Very high | 24 Ų | 24 | 54.9 Ų | 54.9 | 13% | 0.126 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 129.7 | 164 | -76.5 | 164.4 | 0 | 0 | 0 | 108.9 | I8 E9 F10 F47 F49 E84 M85 L87 | I8-L70 HydrophobicContact CD1-CD2 4.12Å; I8-L70 HydrophobicContact CG1-CD2 4.31Å; E9-L70 CarbonylContact O-C 3.6Å; E9-L70 WeakPolarHBondContact O-CA 3.34Å; F10-L70 HydrophobicContact CB-CD2 3.93Å; F10-L70 HydrophobicContact CD2-CD2 4.03Å; F10-L70 HydrophobicContact CD2-CG 4.32Å; F10-L70 HydrophobicContact CG-CD2 4.5Å; F47-L70 HydrophobicContact CE2-CD1 4.11Å; F47-L70 HydrophobicContact CE2-CD2 4.07Å; F47-L70 HydrophobicContact CZ-CD1 4Å; F49-L70 HydrophobicContact CD2-CD2 4.35Å; F49-L70 HydrophobicContact CE2-CD2 4.06Å; L70-E84 CarbonylContact O-C 3.6Å; L70-E84 VanDerWaalsContact O-CA 3.29Å; L70-E84 WeakPolarHBondContact O-CA 3.32Å; L70-M85 HydrophobicContact CD1-CE 3.96Å; L70-M85 PolarHBondContact N-O 3.1Å; L70-M85 PolarHBondContact O-N 3.06Å; L70-L87 HydrophobicContact CD1-CD1 4.2Å; L70-L87 HydrophobicContact CG-CD1 4.11Å |
| 71 | R | 95.9 | Very high | 90.4 | Very high | 56 Ų | 56 | 54.4 Ų | 54.4 | 21% | 0.211 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 119.5 | 176.5 | -178.8 | 164.2 | 66.4 | -154.3 | 5.6 | 110.6 | I8 E9 I11 F69 I82 R83 E84 | I8-R71 CarbonylContact C-O 3.53Å; I8-R71 WeakPolarHBondContact CA-O 3.24Å; E9-R71 HydrophobicContact CB-CB 4.35Å; E9-R71 PolarHBondContact N-O 3.31Å; E9-R71 PolarHBondContact O-N 3.33Å; E9-R71 IonicContact OE2-CZ 2.77Å; E9-R71 IonicContact OE2-NE 2.86Å; E9-R71 PolarHBondContact OE2-NE 2.93Å; E9-R71 IonicContact OE2-NH2 2.74Å; E9-R71 PolarHBondContact OE2-NH2 3.45Å; I11-R71 HydrophobicContact CD1-CB 4.36Å; F69-R71 HydrophobicContact CD2-CB 4.12Å; F69-R71 HydrophobicContact CE2-CB 4.13Å; R71-I82 HydrophobicContact CG-CG2 3.73Å; R71-R83 CarbonylContact C-O 3.53Å; R71-R83 WeakPolarHBondContact CA-O 3.48Å; R71-E84 HydrophobicContact CB-CG 4.12Å; R71-E84 WeakPolarHBondContact CD-OE1 3.49Å; R71-E84 HydrophobicContact CG-CG 3.99Å; R71-E84 IonicContact NH1-OE1 3.49Å |
| 72 | V | 96.2 | Very high | 90.7 | Very high | 51 Ų | 51 | 58 Ų | 58 | 31% | 0.309 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 129.5 | 170.2 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | I8 I82 R83 | I8-V72 HydrophobicContact CB-CG2 4.26Å; I8-V72 HydrophobicContact CD1-CG2 3.75Å; I8-V72 HydrophobicContact CG1-CG2 3.81Å; V72-I82 CarbonylContact O-C 3.56Å; V72-I82 WeakPolarHBondContact O-CA 3.4Å; V72-R83 PolarHBondContact N-O 3.5Å; V72-R83 PolarHBondContact O-N 2.99Å |
| 73 | T | 95.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 123.4 | 176.7 | -58 | 0 | 0 | 0 | 0 | 110.1 | I6 K7 E80 I81 I82 | I6-T73 WeakPolarHBondContact CA-O 3.29Å; K7-T73 PolarHBondContact N-O 3.5Å; K7-T73 PolarHBondContact O-N 2.88Å; T73-E80 HydrophobicContact CG2-CB 4.05Å; T73-E80 HydrophobicContact CG2-CG 4.43Å; T73-E80 WeakPolarHBondContact CG2-OE2 3.19Å; T73-I81 WeakPolarHBondContact CA-O 3.43Å; T73-I82 HydrophobicContact CG2-CG1 4.19Å |
| 74 | I | 94.7 | Very high | 91.5 | Very high | 33 Ų | 33 | 66.8 Ų | 66.8 | 17% | 0.169 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 104.7 | 165.4 | -57.2 | 172.6 | 0 | 0 | 0 | 107 | H3 I6 K76 E80 I81 | H3-I74 HydrophobicContact CB-CG2 3.72Å; I6-I74 HydrophobicContact CD1-CG1 4.44Å; I6-I74 HydrophobicContact CG1-CG1 4.18Å; I6-I74 HydrophobicContact CG1-CG2 4.24Å; I6-I74 HydrophobicContact CG2-CG1 4.12Å; I74-K76 HydrophobicContact CG2-CG 4.32Å; I74-E80 WeakPolarHBondContact O-CA 3.37Å; I74-I81 HydrophobicContact CB-CB 4.25Å; I74-I81 PolarHBondContact N-O 2.77Å; I74-I81 PolarHBondContact O-N 3.16Å |
| 75 | S | 90.5 | Very high | 91.8 | Very high | 22 Ų | 22 | 72.1 Ų | 72.1 | 15% | 0.154 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 138.1 | 178.2 | -58.1 | 0 | 0 | 0 | 0 | 110.2 | H3 S4 G5 E80 | H3-S75 CarbonylContact C-O 3.57Å; H3-S75 VanDerWaalsContact CA-O 3.27Å; H3-S75 WeakPolarHBondContact CA-O 3.37Å; H3-S75 WeakPolarHBondContact CB-O 3.5Å; S4-S75 PolarHBondContact N-O 3.11Å; S4-S75 VanDerWaalsContact OG-C 3.23Å; S4-S75 PolarHBondContact OG-O 3.33Å; G5-S75 PolarHBondContact O-N 3.12Å; S75-E80 WeakPolarHBondContact CB-OE1 3.24Å; S75-E80 PolarHBondContact OG-OE1 3Å |
| 76 | K | 88.7 | Confident | 91.8 | Very high | 76 Ų | 76 | 74 Ų | 74 | 33% | 0.33 | 35% | 0.349 | S | S | . | . | trans | -141.3 | 163.4 | 175.5 | -44.8 | 176.4 | 67.6 | 176.7 | 0 | 109.8 | D2 S4 I74 I78 S79 I81 | D2-K76 VanDerWaalsContact O-CE 3.24Å; D2-K76 WeakPolarHBondContact O-CE 3.29Å; S4-K76 WeakPolarHBondContact OG-CA 3.5Å; S4-K76 PolarHBondContact OG-N 3Å; I74-K76 HydrophobicContact CG2-CG 4.32Å; K76-I78 PolarHBondContact O-N 3.48Å; K76-I78 VanDerWaalsContact O-N 3.07Å; K76-S79 WeakPolarHBondContact CB-O 3.37Å; K76-I81 HydrophobicContact CD-CD1 4.02Å; K76-I81 HydrophobicContact CD-CG1 4.21Å | ||
| 77 | R | 78.2 | Confident | 91.8 | Very high | 254 Ų | 254 | 76.7 Ų | 76.7 | 96% | 0.958 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -61 | -14.9 | -178.8 | -79.4 | -173.1 | 177.1 | 169.8 | 0.7 | 116.3 | ||
| 78 | I | 80 | Confident | 91.7 | Very high | 167 Ų | 167 | 80.4 Ų | 80.4 | 86% | 0.856 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -120.3 | -47.7 | -172 | -56.5 | 175.1 | 0 | 0 | 0 | 111.1 | K76 | K76-I78 PolarHBondContact O-N 3.48Å; K76-I78 VanDerWaalsContact O-N 3.07Å |
| 79 | S | 82.5 | Confident | 91.5 | Very high | 78 Ų | 78 | 81 Ų | 81 | 55% | 0.545 | 39% | 0.393 | S | S | . | . | trans | -153.6 | 143.4 | 177.7 | 53 | 0 | 0 | 0 | 0 | 110.5 | K76 | K76-S79 WeakPolarHBondContact CB-O 3.37Š| ||
| 80 | E | 87.4 | Confident | 91.3 | Very high | 99 Ų | 99 | 86 Ų | 86 | 46% | 0.463 | 42% | 0.416 | S | S | . | . | trans | -80.3 | 145.1 | 172.7 | -52.5 | -155.1 | 122.5 | 0 | 0 | 110.8 | T73 I74 S75 I82 | T73-E80 HydrophobicContact CG2-CB 4.05Å; T73-E80 HydrophobicContact CG2-CG 4.43Å; T73-E80 WeakPolarHBondContact CG2-OE2 3.19Å; I74-E80 WeakPolarHBondContact O-CA 3.37Å; S75-E80 WeakPolarHBondContact CB-OE1 3.24Å; S75-E80 PolarHBondContact OG-OE1 3Å; E80-I82 HydrophobicContact CB-CG1 4.28Å | ||
| 81 | I | 91.5 | Very high | 91 | Very high | 78 Ų | 78 | 87.1 Ų | 87.1 | 40% | 0.4 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 115.3 | 170.5 | -53.3 | 174.3 | 0 | 0 | 0 | 107.3 | T73 I74 K76 | T73-I81 WeakPolarHBondContact CA-O 3.43Å; I74-I81 HydrophobicContact CB-CB 4.25Å; I74-I81 PolarHBondContact N-O 2.77Å; I74-I81 PolarHBondContact O-N 3.16Å; K76-I81 HydrophobicContact CD-CD1 4.02Å; K76-I81 HydrophobicContact CD-CG1 4.21Å |
| 82 | I | 94.4 | Very high | 90.6 | Very high | 88 Ų | 88 | 89.2 Ų | 89.2 | 45% | 0.451 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 136.3 | -176.7 | -60 | 177.2 | 0 | 0 | 0 | 109.9 | R71 V72 T73 E80 E84 | R71-I82 HydrophobicContact CG-CG2 3.73Å; V72-I82 CarbonylContact O-C 3.56Å; V72-I82 WeakPolarHBondContact O-CA 3.4Å; T73-I82 HydrophobicContact CG2-CG1 4.19Å; E80-I82 HydrophobicContact CB-CG1 4.28Å; I82-E84 HydrophobicContact CG2-CG 4.43Å |
| 83 | R | 95.6 | Very high | 90 | Very high | 199 Ų | 199 | 88.9 Ų | 88.9 | 75% | 0.751 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 126.1 | 170.1 | -91.9 | -69 | -167.9 | 177.9 | 1.1 | 110.1 | R71 V72 | R71-R83 CarbonylContact C-O 3.53Å; R71-R83 WeakPolarHBondContact CA-O 3.48Å; V72-R83 PolarHBondContact N-O 3.5Å; V72-R83 PolarHBondContact O-N 2.99Å |
| 84 | E | 95.2 | Very high | 89.2 | Confident | 82 Ų | 82 | 98 Ų | 98 | 38% | 0.383 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 150.2 | 174.4 | -62.7 | -171.2 | 171.6 | 0 | 0 | 111.6 | R67 F69 L70 R71 I82 | R67-E84 IonicContact CZ-OE2 2.81Å; R67-E84 IonicContact NH1-OE2 3.26Å; R67-E84 PolarHBondContact NH1-OE2 3.21Å; R67-E84 IonicContact NH2-OE2 2.73Å; R67-E84 PolarHBondContact NH2-OE2 3.16Å; F69-E84 HydrophobicContact CD2-CB 4.21Å; F69-E84 HydrophobicContact CD2-CG 3.91Å; F69-E84 VanDerWaalsContact CE2-CD 3.41Å; F69-E84 HydrophobicContact CE2-CG 4.08Å; F69-E84 WeakPolarHBondContact CE2-OE1 3.44Å; L70-E84 CarbonylContact O-C 3.6Å; L70-E84 VanDerWaalsContact O-CA 3.29Å; L70-E84 WeakPolarHBondContact O-CA 3.32Å; R71-E84 HydrophobicContact CB-CG 4.12Å; R71-E84 WeakPolarHBondContact CD-OE1 3.49Å; R71-E84 HydrophobicContact CG-CG 3.99Å; R71-E84 IonicContact NH1-OE1 3.49Å; I82-E84 HydrophobicContact CG2-CG 4.43Å |
| 85 | M | 94.9 | Very high | 88.2 | Confident | 112 Ų | 112 | 100.3 Ų | 100.3 | 55% | 0.552 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 113.5 | 170.4 | -177.3 | 179.9 | 74.4 | 0 | 0 | 109.1 | F69 L70 L87 | F69-M85 CarbonylContact C-O 3.51Å; F69-M85 WeakPolarHBondContact CA-O 3.44Å; F69-M85 VanDerWaalsContact CB-O 3.31Å; F69-M85 WeakPolarHBondContact CB-O 3.17Å; L70-M85 HydrophobicContact CD1-CE 3.96Å; L70-M85 PolarHBondContact N-O 3.1Å; L70-M85 PolarHBondContact O-N 3.06Å; M85-L87 HydrophobicContact CE-CD2 4.25Å |
| 86 | D | 92.8 | Very high | 86.7 | Confident | 89 Ų | 89 | 104.5 Ų | 104.5 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 148.1 | 178.3 | -87.9 | -7.8 | 0 | 0 | 0 | 112.1 | R67 | R67-D86 IonicContact CZ-OD1 3.56Å; R67-D86 IonicContact NE-OD1 3.4Å; R67-D86 PolarHBondContact NE-OD1 2.99Å; R67-D86 IonicContact NE-OD2 3.74Å; R67-D86 IonicContact NH2-OD1 2.64Å; R67-D86 PolarHBondContact NH2-OD1 3.15Å |
| 87 | L | 92.2 | Very high | 85.2 | Confident | 59 Ų | 59 | 105.8 Ų | 105.8 | 31% | 0.309 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 124.9 | 178.5 | -66.1 | 172.5 | 0 | 0 | 0 | 108.8 | F10 Y68 L70 M85 | F10-L87 HydrophobicContact CD2-CD1 4.23Å; F10-L87 HydrophobicContact CE2-CD1 3.75Å; Y68-L87 PolarHBondContact O-N 3.48Å; L70-L87 HydrophobicContact CD1-CD1 4.2Å; L70-L87 HydrophobicContact CG-CD1 4.11Å; M85-L87 HydrophobicContact CE-CD2 4.25Å |
| 88 | V | 91.9 | Very high | 84.1 | Confident | 117 Ų | 117 | 96.9 Ų | 96.9 | 71% | 0.709 | 50% | 0.5 | S | S | * | . | trans | -84.3 | 128.4 | 173.7 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 89 | V | 93 | Very high | 83.1 | Confident | 14 Ų | 14 | 93.4 Ų | 93.4 | 9% | 0.085 | 48% | 0.484 | C | S | . | . | trans | -109.6 | 133.7 | 173.2 | 172.8 | 0 | 0 | 0 | 0 | 108.8 | K54 Y56 E57 S58 Y68 | K54-V89 HydrophobicContact CB-CG1 3.8Å; K54-V89 HydrophobicContact CB-CG2 3.96Å; K54-V89 HydrophobicContact CD-CG2 3.71Å; K54-V89 HydrophobicContact CG-CG2 4.16Å; Y56-V89 VanDerWaalsContact O-CG1 3.29Å; Y56-V89 WeakPolarHBondContact O-CG1 3.4Å; E57-V89 WeakPolarHBondContact CA-O 3.38Å; E57-V89 WeakPolarHBondContact CG-O 3.41Å; S58-V89 PolarHBondContact N-O 3.34Å; S58-V89 PolarHBondContact OG-N 2.63Å; Y68-V89 HydrophobicContact CD1-CG2 4.43Å; Y68-V89 HydrophobicContact CD2-CB 3.74Å; Y68-V89 HydrophobicContact CD2-CG2 3.29Å; Y68-V89 HydrophobicContact CE2-CB 3.67Å; Y68-V89 HydrophobicContact CE2-CG1 4.11Å; Y68-V89 HydrophobicContact CE2-CG2 3.58Å; Y68-V89 HydrophobicContact CG-CG2 3.76Å | ||
| 90 | H | 91.4 | Very high | 82.4 | Confident | 105 Ų | 105 | 92.7 Ų | 92.7 | 49% | 0.486 | 48% | 0.478 | S | S | . | . | trans | -112 | 133 | 170.3 | -77.1 | 153.3 | 0 | 0 | 0 | 110 | E57 R253 | E57-H90 IonicContact OE1-CD2 2.63Å; E57-H90 VanDerWaalsContact OE2-CA 3.23Å; E57-H90 WeakPolarHBondContact OE2-CA 3.24Å; E57-H90 IonicContact OE2-CD2 3.16Å; E57-H90 IonicContact OE2-CG 2.71Å; H90-R253 PolarHBondContact CD2-NE 3.4Å | ||
| 91 | T | 89.1 | Confident | 82.1 | Confident | 49 Ų | 49 | 92.5 Ų | 92.5 | 30% | 0.301 | 48% | 0.48 | S | S | . | . | trans | -95.5 | 100.7 | 173.5 | -60.6 | 0 | 0 | 0 | 0 | 108.2 | E57 | E57-T91 PolarHBondContact N-OG1 3.24Å; E57-T91 PolarHBondContact OE2-N 3.41Å | ||
| 92 | L | 88.3 | Confident | 81.9 | Confident | 100 Ų | 100 | 90.6 Ų | 90.6 | 52% | 0.524 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 149.9 | 174.7 | -57.7 | -179.1 | 0 | 0 | 0 | 110.3 | R253 A255 | L92-R253 WeakPolarHBondContact CA-O 3.49Å; L92-R253 HydrophobicContact CD2-CB 4.36Å; L92-R253 HydrophobicContact CD2-CG 3.96Å; L92-A255 HydrophobicContact CD1-CB 3.96Å |
| 93 | S | 83.3 | Confident | 81.7 | Confident | 44 Ų | 44 | 91.3 Ų | 91.3 | 31% | 0.308 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 166.2 | 175.1 | -56.4 | 0 | 0 | 0 | 0 | 110.4 | W252 R253 | S93-W252 VanDerWaalsContact O-CE3 3.3Å; S93-W252 WeakPolarHBondContact O-CZ3 3.28Å; S93-R253 PolarHBondContact N-O 3.18Å |
| 94 | K | 78.5 | Confident | 81.4 | Confident | 194 Ų | 194 | 82 Ų | 82 | 84% | 0.843 | 44% | 0.435 | S | S | * | . | trans | -142.5 | 115.8 | 171.8 | -173.4 | -175 | 179 | -169.3 | 0 | 108.3 | ||||
| 95 | Y | 73.6 | Confident | 81 | Confident | 81 Ų | 81 | 82.5 Ų | 82.5 | 32% | 0.318 | 44% | 0.438 | S | S | . | . | trans | -101.2 | 148.9 | 167.1 | -70 | -68.9 | 0 | 0 | 0 | 109.8 | K122 T250 W252 | Y95-K122 HydrophobicContact CD1-CD 3.75Å; Y95-K122 HydrophobicContact CD2-CB 4.39Å; Y95-K122 HydrophobicContact CD2-CD 3.99Å; Y95-K122 HydrophobicContact CE1-CD 3.95Å; Y95-K122 HydrophobicContact CE2-CD 4.15Å; Y95-K122 HydrophobicContact CG-CD 3.78Å; Y95-T250 HydrophobicContact CE2-CG2 4.39Å; Y95-W252 HydrophobicContact CD2-CB 4.24Å; Y95-W252 AromaticContact CD2-CD1 3.59Å; Y95-W252 AromaticContact CD2-CD2 3.79Å; Y95-W252 HydrophobicContact CD2-CD2 3.79Å; Y95-W252 AromaticContact CD2-CE2 3.85Å; Y95-W252 AromaticContact CD2-CG 3.63Å; Y95-W252 HydrophobicContact CD2-CG 3.63Å; Y95-W252 AromaticContact CD2-NE1 3.73Å; Y95-W252 HydrophobicContact CE2-CB 3.92Å; Y95-W252 AromaticContact CE2-CD1 3.91Å; Y95-W252 HydrophobicContact CE2-CD2 4.37Å; Y95-W252 AromaticContact CE2-CG 3.81Å; Y95-W252 HydrophobicContact CE2-CG 3.81Å | ||
| 96 | P | 57.2 | Low | 80.7 | Confident | 109 Ų | 109 | 77.8 Ų | 77.8 | 71% | 0.708 | 42% | 0.415 | S | S | * | . | trans | -64.5 | 137.2 | 167.9 | 28.3 | -33.6 | 0 | 0 | 0 | 109.5 | A98 | P96-A98 PolarHBondContact O-N 3.31Š| ||
| 97 | E | 59 | Low | 80.3 | Confident | 103 Ų | 103 | 76.2 Ų | 76.2 | 48% | 0.481 | 42% | 0.42 | S | S | . | . | trans | -81.9 | 54.3 | -178.8 | -56.9 | -161.4 | -165.7 | 0 | 0 | 111 | D99 R120 K254 | E97-D99 PolarHBondContact O-N 3.23Å; E97-D99 VanDerWaalsContact O-N 3.16Å; E97-R120 IonicContact OE2-CZ 3.93Å; E97-R120 IonicContact OE2-NH1 3.28Å; E97-R120 PolarHBondContact OE2-NH1 3.04Å; E97-R120 VanDerWaalsContact OE2-NH1 3.17Å; E97-R120 IonicContact OE2-NH2 3.02Å; E97-K254 IonicContact OE1-NZ 2.66Å; E97-K254 PolarHBondContact OE1-NZ 2.9Å | ||
| 98 | A | 54.8 | Low | 79.9 | Confident | 67 Ų | 67 | 76 Ų | 76 | 55% | 0.554 | 42% | 0.419 | S | S | * | . | trans | -79.7 | 90.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | P96 S100 | P96-A98 PolarHBondContact O-N 3.31Å; A98-S100 PolarHBondContact O-N 2.92Å; A98-S100 VanDerWaalsContact O-N 3.15Å; A98-S100 PolarHBondContact O-OG 2.6Å | ||
| 99 | D | 57.9 | Low | 79.4 | Confident | 95 Ų | 95 | 79 Ų | 79 | 51% | 0.508 | 43% | 0.425 | S | S | . | . | trans | -57.3 | 117.1 | 173.5 | -76 | -56.6 | 0 | 0 | 0 | 110.1 | E97 N119 R120 | E97-D99 PolarHBondContact O-N 3.23Å; E97-D99 VanDerWaalsContact O-N 3.16Å; D99-N119 PolarHBondContact OD1-ND2 3.46Å; D99-R120 VanDerWaalsContact CG-NH2 3.34Å; D99-R120 IonicContact OD1-CZ 3.76Å; D99-R120 VanDerWaalsContact OD1-CZ 3.31Å; D99-R120 IonicContact OD1-NE 2.69Å; D99-R120 PolarHBondContact OD1-NE 3.17Å; D99-R120 IonicContact OD1-NH2 3.19Å; D99-R120 PolarHBondContact OD1-NH2 2.89Å; D99-R120 IonicContact OD2-CZ 3.57Å; D99-R120 IonicContact OD2-NE 4Å; D99-R120 IonicContact OD2-NH2 2.86Å; D99-R120 PolarHBondContact OD2-NH2 2.64Å | ||
| 100 | S | 68.3 | Low | 78.8 | Confident | 62 Ų | 62 | 83.5 Ų | 83.5 | 43% | 0.434 | 45% | 0.449 | S | S | . | . | trans | -145.7 | 93.2 | -174.1 | 36.7 | 0 | 0 | 0 | 0 | 107.2 | A98 I102 N119 | A98-S100 PolarHBondContact O-N 2.92Å; A98-S100 VanDerWaalsContact O-N 3.15Å; A98-S100 PolarHBondContact O-OG 2.6Å; S100-I102 WeakPolarHBondContact O-CG1 3.41Å; S100-I102 PolarHBondContact O-N 2.79Å; S100-N119 CarbonylContact C-O 3.35Å; S100-N119 PolarHBondContact N-O 3.05Å; S100-N119 VanDerWaalsContact N-O 3.14Å | ||
| 101 | N | 81.3 | Confident | 78.6 | Confident | 95 Ų | 95 | 80.8 Ų | 80.8 | 51% | 0.508 | 44% | 0.441 | S | S | . | . | trans | -57 | 128.4 | -174.9 | -70.5 | 5.7 | 0 | 0 | 0 | 110.9 | E117 Y118 | N101-E117 HydrophobicContact CB-CG 3.88Å; N101-E117 WeakPolarHBondContact CB-OE1 3.4Å; N101-E117 PolarHBondContact ND2-OE1 2.86Å; N101-Y118 WeakPolarHBondContact CA-O 3.09Å | ||
| 102 | I | 86.9 | Confident | 78.5 | Confident | 38 Ų | 38 | 78.4 Ų | 78.4 | 20% | 0.195 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 123.4 | -179.6 | -55.3 | -172.9 | 0 | 0 | 0 | 108.2 | S100 E117 Y118 S121 | S100-I102 WeakPolarHBondContact O-CG1 3.41Å; S100-I102 PolarHBondContact O-N 2.79Å; I102-E117 CarbonylContact O-C 3.36Å; I102-E117 VanDerWaalsContact O-CA 3.32Å; I102-E117 WeakPolarHBondContact O-CA 3.35Å; I102-Y118 HydrophobicContact CB-CD1 4.38Å; I102-Y118 HydrophobicContact CB-CD2 4.47Å; I102-Y118 HydrophobicContact CB-CE1 3.98Å; I102-Y118 HydrophobicContact CB-CE2 4.1Å; I102-Y118 HydrophobicContact CD1-CE2 4.22Å; I102-Y118 HydrophobicContact CG2-CE1 3.9Å; I102-Y118 HydrophobicContact CG2-CE2 4.46Å; I102-Y118 PolarHBondContact N-O 3.41Å; I102-Y118 WeakPolarHBondContact O-CD1 3.38Å; I102-Y118 PolarHBondContact O-N 3.14Å; I102-S121 VanDerWaalsContact CD1-CA 3.49Å |
| 103 | K | 89.5 | Confident | 78.7 | Confident | 103 Ų | 103 | 76.8 Ų | 76.8 | 45% | 0.448 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 132.8 | 176.3 | -61.1 | 179.3 | 167.9 | -81.8 | 0 | 109.8 | E115 | K103-E115 HydrophobicContact CB-CG 4.13Å; K103-E115 HydrophobicContact CG-CG 4.4Å; K103-E115 WeakPolarHBondContact CG-OE1 3.46Å; K103-E115 IonicContact NZ-OE1 3.17Å; K103-E115 PolarHBondContact NZ-OE1 3.16Å; K103-E115 IonicContact NZ-OE2 2.75Å; K103-E115 PolarHBondContact NZ-OE2 3.3Å |
| 104 | M | 89.5 | Confident | 79.1 | Confident | 3 Ų | 3 | 74.7 Ų | 74.7 | 2% | 0.015 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 100.3 | 174.7 | -170.4 | -161.4 | -49 | 0 | 0 | 108.9 | F116 Y118 L231 L233 K245 Q247 | M104-F116 HydrophobicContact CB-CB 4.35Å; M104-F116 HydrophobicContact CB-CD1 4.46Å; M104-F116 WeakPolarHBondContact CB-O 3.44Å; M104-F116 HydrophobicContact CE-CD1 3.71Å; M104-F116 HydrophobicContact CE-CE1 4.04Å; M104-F116 PolarHBondContact N-O 2.89Å; M104-F116 PolarHBondContact O-N 3.49Å; M104-F116 HydrophobicContact SD-CD1 4.33Å; M104-Y118 HydrophobicContact CB-CE1 4.38Å; M104-Y118 HydrophobicContact CE-CE1 3.92Å; M104-L231 HydrophobicContact CE-CB 3.78Å; M104-L233 HydrophobicContact SD-CB 3.74Å; M104-K245 HydrophobicContact CG-CB 4.15Å; M104-K245 HydrophobicContact CG-CG 3.6Å; M104-K245 HydrophobicContact SD-CB 3.99Å; M104-K245 HydrophobicContact SD-CG 4.06Å; M104-Q247 HydrophobicContact CE-CB 3.79Å; M104-Q247 HydrophobicContact CG-CB 4.46Å; M104-Q247 HydrophobicContact SD-CB 4.49Å |
| 105 | E | 88.6 | Confident | 79.7 | Confident | 93 Ų | 93 | 66.3 Ų | 66.3 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 133.5 | -172.6 | -67.3 | 153.9 | -133.9 | 0 | 0 | 112.6 | E115 K245 | E105-E115 HydrophobicContact CG-CG 4.05Å; E105-K245 PolarHBondContact O-NZ 3.03Å |
| 106 | V | 88.1 | Confident | 80.7 | Confident | 13 Ų | 13 | 62.5 Ų | 62.5 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 96.9 | 160.2 | 178.7 | 0 | 0 | 0 | 0 | 107.2 | L112 H113 I114 L233 L235 K245 | V106-L112 HydrophobicContact CG1-CD2 4.48Å; V106-H113 WeakPolarHBondContact O-CA 3.45Å; V106-I114 PolarHBondContact N-O 2.99Å; V106-I114 PolarHBondContact O-N 2.94Å; V106-L233 HydrophobicContact CG2-CD2 3.93Å; V106-L235 HydrophobicContact CB-CD1 3.97Å; V106-L235 HydrophobicContact CG1-CD1 3.78Å; V106-L235 HydrophobicContact CG2-CD1 4.01Å; V106-K245 HydrophobicContact CG2-CB 3.8Å |
| 107 | G | 83.3 | Confident | 82.4 | Confident | 56 Ų | 56 | 58.7 Ų | 58.7 | 58% | 0.577 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 133.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L112 | G107-L112 CarbonylContact C-O 3.51Å; G107-L112 WeakPolarHBondContact CA-O 3.41Å |
| 108 | I | 83.6 | Confident | 84.1 | Confident | 54 Ų | 54 | 53.9 Ų | 53.9 | 28% | 0.277 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 116.9 | 164.3 | -53 | 172.6 | 0 | 0 | 0 | 105 | D110 C111 L112 I140 Y243 | I108-D110 PolarHBondContact O-N 3.32Å; I108-C111 HydrophobicContact CB-CB 4.17Å; I108-C111 HydrophobicContact CG2-CB 3.86Å; I108-C111 PolarHBondContact O-N 3.17Å; I108-L112 HydrophobicContact CB-CB 4.15Å; I108-L112 HydrophobicContact CD1-CB 4.09Å; I108-L112 HydrophobicContact CD1-CD2 4.09Å; I108-L112 HydrophobicContact CG1-CB 4.25Å; I108-L112 PolarHBondContact N-O 2.9Å; I108-L112 PolarHBondContact O-N 3.35Å; I108-L112 VanDerWaalsContact O-O 3.05Å; I108-I140 HydrophobicContact CD1-CD1 3.97Å; I108-Y243 HydrophobicContact CD1-CD1 3.75Å; I108-Y243 HydrophobicContact CD1-CE1 3.34Å; I108-Y243 HydrophobicContact CD1-CE2 4.47Å; I108-Y243 HydrophobicContact CD1-CG 4.45Å |
| 109 | E | 81.2 | Confident | 85.7 | Confident | 181 Ų | 181 | 52 Ų | 52 | 85% | 0.846 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 131.7 | -173.1 | -162.6 | 162.9 | -140.5 | 0 | 0 | 111.5 | C111 | E109-C111 PolarHBondContact O-N 3.27Å; E109-C111 PolarHBondContact O-SG 3.01Å |
| 110 | D | 81.6 | Confident | 87.2 | Confident | 108 Ų | 108 | 49.3 Ų | 49.3 | 58% | 0.578 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | -1.5 | -173.3 | -95.6 | -54.9 | 0 | 0 | 0 | 117.8 | I108 R139 | I108-D110 PolarHBondContact O-N 3.32Å; D110-R139 VanDerWaalsContact O-CD 3.26Å; D110-R139 WeakPolarHBondContact O-CD 3.42Å; D110-R139 PolarHBondContact O-NH1 3.13Å; D110-R139 IonicContact OD1-CZ 3.1Å; D110-R139 IonicContact OD1-NH1 2.73Å; D110-R139 PolarHBondContact OD1-NH1 2.96Å |
| 111 | C | 86 | Confident | 88.3 | Confident | 48 Ų | 48 | 48.3 Ų | 48.3 | 32% | 0.324 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -42.8 | -168.7 | -61.9 | 0 | 0 | 0 | 0 | 114.2 | I108 E109 R139 I140 | I108-C111 HydrophobicContact CB-CB 4.17Å; I108-C111 HydrophobicContact CG2-CB 3.86Å; I108-C111 PolarHBondContact O-N 3.17Å; E109-C111 PolarHBondContact O-N 3.27Å; E109-C111 PolarHBondContact O-SG 3.01Å; C111-R139 WeakPolarHBondContact O-CA 3.43Å; C111-R139 WeakPolarHBondContact O-CB 3.22Å; C111-R139 PolarHBondContact O-N 3.14Å; C111-I140 HydrophobicContact CB-CD1 3.98Å; C111-I140 HydrophobicContact CB-CG1 4.14Å; C111-I140 PolarHBondContact O-N 2.89Å |
| 112 | L | 88.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 130.6 | -174.3 | -171.5 | 68.3 | 0 | 0 | 0 | 109.3 | V106 G107 I108 I114 L137 V138 I140 I142 | V106-L112 HydrophobicContact CG1-CD2 4.48Å; G107-L112 CarbonylContact C-O 3.51Å; G107-L112 WeakPolarHBondContact CA-O 3.41Å; I108-L112 HydrophobicContact CB-CB 4.15Å; I108-L112 HydrophobicContact CD1-CB 4.09Å; I108-L112 HydrophobicContact CD1-CD2 4.09Å; I108-L112 HydrophobicContact CG1-CB 4.25Å; I108-L112 PolarHBondContact N-O 2.9Å; I108-L112 PolarHBondContact O-N 3.35Å; I108-L112 VanDerWaalsContact O-O 3.05Å; L112-I114 HydrophobicContact CD1-CD1 3.83Å; L112-I114 HydrophobicContact CD1-CG1 4.08Å; L112-I114 HydrophobicContact CD2-CD1 4.46Å; L112-I114 HydrophobicContact CG-CD1 4.24Å; L112-I114 HydrophobicContact CG-CG1 4.29Å; L112-L137 CarbonylContact C-O 3.28Å; L112-L137 WeakPolarHBondContact CA-O 3.28Å; L112-V138 HydrophobicContact CD1-CG1 4.34Å; L112-V138 HydrophobicContact CD1-CG2 4.48Å; L112-I140 HydrophobicContact CB-CD1 4.42Å; L112-I142 HydrophobicContact CD1-CD1 4.02Å; L112-I142 HydrophobicContact CD1-CG1 4.36Å; L112-I142 HydrophobicContact CD2-CD1 4.07Å |
| 113 | H | 91.7 | Very high | 89 | Confident | 65 Ų | 65 | 46 Ų | 46 | 30% | 0.301 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 107.7 | 170.7 | -168.8 | -174.9 | 0 | 0 | 0 | 108.4 | V106 L136 L137 | V106-H113 WeakPolarHBondContact O-CA 3.45Å; H113-L136 HydrophobicContact CB-CB 4.14Å; H113-L136 WeakPolarHBondContact O-CA 3.37Å; H113-L136 WeakPolarHBondContact O-CB 2.93Å; H113-L136 PolarHBondContact O-N 3.29Å; H113-L137 HydrophobicContact CB-CB 3.79Å; H113-L137 PolarHBondContact N-O 2.84Å; H113-L137 PolarHBondContact O-N 3.35Å |
| 114 | I | 91.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.9 | 178.3 | -62.3 | 178.6 | 0 | 0 | 0 | 107.6 | V106 L112 I133 Y134 F135 I142 M145 L235 | V106-I114 PolarHBondContact N-O 2.99Å; V106-I114 PolarHBondContact O-N 2.94Å; L112-I114 HydrophobicContact CD1-CD1 3.83Å; L112-I114 HydrophobicContact CD1-CG1 4.08Å; L112-I114 HydrophobicContact CD2-CD1 4.46Å; L112-I114 HydrophobicContact CG-CD1 4.24Å; L112-I114 HydrophobicContact CG-CG1 4.29Å; I114-I133 HydrophobicContact CG2-CG2 4.05Å; I114-Y134 WeakPolarHBondContact CA-O 3.39Å; I114-F135 HydrophobicContact CD1-CD1 3.82Å; I114-F135 HydrophobicContact CD1-CE1 3.85Å; I114-F135 HydrophobicContact CG1-CD1 3.85Å; I114-F135 HydrophobicContact CG1-CE1 4.28Å; I114-F135 HydrophobicContact CG2-CD1 4.37Å; I114-F135 HydrophobicContact CG2-CE1 4.31Å; I114-I142 HydrophobicContact CD1-CD1 4.44Å; I114-I142 HydrophobicContact CD1-CG1 4.2Å; I114-M145 HydrophobicContact CG2-CE 3.67Å; I114-L235 HydrophobicContact CD1-CD1 4.01Å; I114-L235 HydrophobicContact CD1-CD2 3.56Å; I114-L235 HydrophobicContact CD1-CG 4.46Å |
| 115 | E | 92.5 | Very high | 89.3 | Confident | 19 Ų | 19 | 43.4 Ų | 43.4 | 9% | 0.089 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.7 | 179.2 | -163.5 | -154 | 107.4 | 0 | 0 | 109.2 | K103 E105 I133 Y134 L136 | K103-E115 HydrophobicContact CB-CG 4.13Å; K103-E115 HydrophobicContact CG-CG 4.4Å; K103-E115 WeakPolarHBondContact CG-OE1 3.46Å; K103-E115 IonicContact NZ-OE1 3.17Å; K103-E115 PolarHBondContact NZ-OE1 3.16Å; K103-E115 IonicContact NZ-OE2 2.75Å; K103-E115 PolarHBondContact NZ-OE2 3.3Å; E105-E115 HydrophobicContact CG-CG 4.05Å; E115-I133 CarbonylContact O-C 3.5Å; E115-I133 WeakPolarHBondContact O-CA 3.44Å; E115-Y134 HydrophobicContact CB-CD2 4.48Å; E115-Y134 PolarHBondContact N-O 2.89Å; E115-Y134 PolarHBondContact O-N 3.4Å; E115-L136 HydrophobicContact CB-CD1 3.99Å |
| 116 | F | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 108.1 | 168.8 | 170.9 | -137.8 | 0 | 0 | 0 | 109.8 | M104 Y118 I133 I147 I205 L231 L233 | M104-F116 HydrophobicContact CB-CB 4.35Å; M104-F116 HydrophobicContact CB-CD1 4.46Å; M104-F116 WeakPolarHBondContact CB-O 3.44Å; M104-F116 HydrophobicContact CE-CD1 3.71Å; M104-F116 HydrophobicContact CE-CE1 4.04Å; M104-F116 PolarHBondContact N-O 2.89Å; M104-F116 PolarHBondContact O-N 3.49Å; M104-F116 HydrophobicContact SD-CD1 4.33Å; F116-Y118 HydrophobicContact CD1-CD1 4.2Å; F116-Y118 AromaticContact CE1-CD1 3.89Å; F116-Y118 HydrophobicContact CE1-CD1 3.89Å; F116-Y118 HydrophobicContact CE1-CG 4.42Å; F116-Y118 HydrophobicContact CZ-CD1 4.12Å; F116-Y118 HydrophobicContact CZ-CG 4.27Å; F116-I133 HydrophobicContact CB-CG1 4.12Å; F116-I133 HydrophobicContact CD2-CG1 3.84Å; F116-I133 HydrophobicContact CG-CG1 4.23Å; F116-I147 HydrophobicContact CD1-CD1 3.71Å; F116-I147 HydrophobicContact CD1-CG1 4.3Å; F116-I147 HydrophobicContact CD2-CD1 4.03Å; F116-I147 HydrophobicContact CE1-CD1 3.5Å; F116-I147 HydrophobicContact CE1-CG1 4.18Å; F116-I147 HydrophobicContact CE2-CD1 3.83Å; F116-I147 HydrophobicContact CG-CD1 3.99Å; F116-I147 HydrophobicContact CZ-CD1 3.57Å; F116-I205 HydrophobicContact CE2-CB 4.27Å; F116-I205 HydrophobicContact CE2-CG1 4.31Å; F116-I205 HydrophobicContact CE2-CG2 4.46Å; F116-L231 HydrophobicContact CE1-CD1 4.21Å; F116-L233 HydrophobicContact CB-CD2 4.16Å |
| 117 | E | 93.4 | Very high | 89.6 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 135.1 | 175.5 | -174.8 | 179 | -148.3 | 0 | 0 | 110.2 | N101 I102 G131 K132 Y134 | N101-E117 HydrophobicContact CB-CG 3.88Å; N101-E117 WeakPolarHBondContact CB-OE1 3.4Å; N101-E117 PolarHBondContact ND2-OE1 2.86Å; I102-E117 CarbonylContact O-C 3.36Å; I102-E117 VanDerWaalsContact O-CA 3.32Å; I102-E117 WeakPolarHBondContact O-CA 3.35Å; E117-G131 CarbonylContact O-C 3.55Å; E117-G131 WeakPolarHBondContact O-CA 3.5Å; E117-K132 PolarHBondContact N-O 2.93Å; E117-K132 PolarHBondContact O-N 2.94Å; E117-Y134 HydrophobicContact CB-CE2 3.8Å; E117-Y134 VanDerWaalsContact OE2-CE2 3.29Å; E117-Y134 WeakPolarHBondContact OE2-CE2 3.48Å; E117-Y134 PolarHBondContact OE2-OH 3.4Å |
| 118 | Y | 93.4 | Very high | 90 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 149 | 174.3 | 63.7 | -83.8 | 0 | 0 | 0 | 113 | N101 I102 M104 F116 R120 Y123 V130 L231 Q247 I249 | N101-Y118 WeakPolarHBondContact CA-O 3.09Å; I102-Y118 HydrophobicContact CB-CD1 4.38Å; I102-Y118 HydrophobicContact CB-CD2 4.47Å; I102-Y118 HydrophobicContact CB-CE1 3.98Å; I102-Y118 HydrophobicContact CB-CE2 4.1Å; I102-Y118 HydrophobicContact CD1-CE2 4.22Å; I102-Y118 HydrophobicContact CG2-CE1 3.9Å; I102-Y118 HydrophobicContact CG2-CE2 4.46Å; I102-Y118 PolarHBondContact N-O 3.41Å; I102-Y118 WeakPolarHBondContact O-CD1 3.38Å; I102-Y118 PolarHBondContact O-N 3.14Å; M104-Y118 HydrophobicContact CB-CE1 4.38Å; M104-Y118 HydrophobicContact CE-CE1 3.92Å; F116-Y118 HydrophobicContact CD1-CD1 4.2Å; F116-Y118 AromaticContact CE1-CD1 3.89Å; F116-Y118 HydrophobicContact CE1-CD1 3.89Å; F116-Y118 HydrophobicContact CE1-CG 4.42Å; F116-Y118 HydrophobicContact CZ-CD1 4.12Å; F116-Y118 HydrophobicContact CZ-CG 4.27Å; Y118-R120 WeakPolarHBondContact CD2-O 3.36Å; Y118-R120 VanDerWaalsContact CE2-O 3.23Å; Y118-R120 WeakPolarHBondContact CE2-O 3.49Å; Y118-R120 PolarHBondContact O-N 3.46Å; Y118-Y123 HydrophobicContact CD2-CE2 4.32Å; Y118-V130 WeakPolarHBondContact CA-O 3.5Å; Y118-L231 HydrophobicContact CD1-CD1 4.15Å; Y118-L231 HydrophobicContact CD2-CD1 3.78Å; Y118-L231 HydrophobicContact CE1-CD1 4.03Å; Y118-L231 HydrophobicContact CE2-CD1 3.64Å; Y118-L231 HydrophobicContact CG-CD1 4.03Å; Y118-Q247 WeakPolarHBondContact OH-CG 3.41Å; Y118-I249 HydrophobicContact CE2-CG2 4.09Å |
| 119 | N | 89.6 | Confident | 90.5 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 14% | 0.139 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -72 | -23.9 | -156.9 | 68.6 | -46 | 0 | 0 | 0 | 117.1 | D99 S100 Y123 V130 | D99-N119 PolarHBondContact OD1-ND2 3.46Å; S100-N119 CarbonylContact C-O 3.35Å; S100-N119 PolarHBondContact N-O 3.05Å; S100-N119 VanDerWaalsContact N-O 3.14Å; N119-Y123 WeakPolarHBondContact OD1-CE1 3.39Å; N119-Y123 PolarHBondContact OD1-OH 3.47Å; N119-V130 PolarHBondContact N-O 3.11Å; N119-V130 PolarHBondContact OD1-N 2.88Å; N119-V130 VanDerWaalsContact OD1-N 3.15Å; N119-V130 PolarHBondContact OD1-O 3.01Å; N119-V130 VanDerWaalsContact OD1-O 3.06Å |
| 120 | R | 89.7 | Confident | 91 | Very high | 39 Ų | 39 | 35.5 Ų | 35.5 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | trans | -146.9 | 148.6 | -172.3 | -59.8 | 173 | -177.9 | -168.6 | -10.1 | 112 | E97 D99 Y118 K122 Y123 | E97-R120 IonicContact OE2-CZ 3.93Å; E97-R120 IonicContact OE2-NH1 3.28Å; E97-R120 PolarHBondContact OE2-NH1 3.04Å; E97-R120 VanDerWaalsContact OE2-NH1 3.17Å; E97-R120 IonicContact OE2-NH2 3.02Å; D99-R120 VanDerWaalsContact CG-NH2 3.34Å; D99-R120 IonicContact OD1-CZ 3.76Å; D99-R120 VanDerWaalsContact OD1-CZ 3.31Å; D99-R120 IonicContact OD1-NE 2.69Å; D99-R120 PolarHBondContact OD1-NE 3.17Å; D99-R120 IonicContact OD1-NH2 3.19Å; D99-R120 PolarHBondContact OD1-NH2 2.89Å; D99-R120 IonicContact OD2-CZ 3.57Å; D99-R120 IonicContact OD2-NE 4Å; D99-R120 IonicContact OD2-NH2 2.86Å; D99-R120 PolarHBondContact OD2-NH2 2.64Å; Y118-R120 WeakPolarHBondContact CD2-O 3.36Å; Y118-R120 VanDerWaalsContact CE2-O 3.23Å; Y118-R120 WeakPolarHBondContact CE2-O 3.49Å; Y118-R120 PolarHBondContact O-N 3.46Å; R120-K122 VanDerWaalsContact C-N 3.28Å; R120-K122 WeakPolarHBondContact CB-O 3.41Å; R120-Y123 HydrophobicContact CB-CD1 4.38Å; R120-Y123 HydrophobicContact CB-CE1 3.81Å; R120-Y123 HydrophobicContact CB-CE2 4.23Å; R120-Y123 HydrophobicContact CG-CE1 4.3Å; R120-Y123 PolarHBondContact N-OH 3.24Å; R120-Y123 VanDerWaalsContact N-OH 3.11Å; R120-Y123 WeakPolarHBondContact O-CE2 3.47Å; R120-Y123 PolarHBondContact O-OH 3.29Å | ||
| 121 | S | 89.5 | Confident | 91.5 | Very high | 42 Ų | 42 | 31 Ų | 31 | 29% | 0.294 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -78.8 | -12.2 | 166.1 | 39.7 | 0 | 0 | 0 | 0 | 113.4 | I102 I249 T250 | I102-S121 VanDerWaalsContact CD1-CA 3.49Å; S121-I249 WeakPolarHBondContact O-CA 3.47Å; S121-T250 PolarHBondContact O-N 2.93Å |
| 122 | K | 91.7 | Very high | 91.9 | Very high | 83 Ų | 83 | 32 Ų | 32 | 36% | 0.361 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 130.4 | -167.9 | -42.4 | -176.8 | -175 | 163.6 | 0 | 109.6 | Y95 R120 T250 | Y95-K122 HydrophobicContact CD1-CD 3.75Å; Y95-K122 HydrophobicContact CD2-CB 4.39Å; Y95-K122 HydrophobicContact CD2-CD 3.99Å; Y95-K122 HydrophobicContact CE1-CD 3.95Å; Y95-K122 HydrophobicContact CE2-CD 4.15Å; Y95-K122 HydrophobicContact CG-CD 3.78Å; R120-K122 VanDerWaalsContact C-N 3.28Å; R120-K122 WeakPolarHBondContact CB-O 3.41Å; K122-T250 CarbonylContact C-O 3.55Å; K122-T250 VanDerWaalsContact CA-O 3.24Å; K122-T250 WeakPolarHBondContact CA-O 3.42Å |
| 123 | Y | 92.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 141.3 | -174.5 | -67.8 | -76.9 | 0 | 0 | 0 | 110.3 | Y118 N119 R120 D127 V128 I129 L209 I249 T250 L251 W252 | Y118-Y123 HydrophobicContact CD2-CE2 4.32Å; N119-Y123 WeakPolarHBondContact OD1-CE1 3.39Å; N119-Y123 PolarHBondContact OD1-OH 3.47Å; R120-Y123 HydrophobicContact CB-CD1 4.38Å; R120-Y123 HydrophobicContact CB-CE1 3.81Å; R120-Y123 HydrophobicContact CB-CE2 4.23Å; R120-Y123 HydrophobicContact CG-CE1 4.3Å; R120-Y123 PolarHBondContact N-OH 3.24Å; R120-Y123 VanDerWaalsContact N-OH 3.11Å; R120-Y123 WeakPolarHBondContact O-CE2 3.47Å; R120-Y123 PolarHBondContact O-OH 3.29Å; Y123-D127 HydrophobicContact CD1-CB 4.29Å; Y123-V128 WeakPolarHBondContact CE1-O 3.25Å; Y123-I129 HydrophobicContact CD1-CG1 4.18Å; Y123-I129 HydrophobicContact CD2-CD1 4.16Å; Y123-I129 HydrophobicContact CD2-CG1 3.86Å; Y123-I129 HydrophobicContact CE1-CB 4.27Å; Y123-I129 HydrophobicContact CE1-CG1 4.07Å; Y123-I129 HydrophobicContact CE2-CB 4.3Å; Y123-I129 HydrophobicContact CE2-CD1 4.11Å; Y123-I129 HydrophobicContact CE2-CG1 3.73Å; Y123-I129 HydrophobicContact CE2-CG2 4.09Å; Y123-I129 HydrophobicContact CG-CG1 4.08Å; Y123-L209 HydrophobicContact CG-CD1 4.17Å; Y123-I249 HydrophobicContact CD2-CB 4.5Å; Y123-I249 HydrophobicContact CD2-CG2 4.43Å; Y123-I249 HydrophobicContact CE2-CG2 4.32Å; Y123-T250 PolarHBondContact N-O 3.03Å; Y123-L251 WeakPolarHBondContact O-CA 3.41Å; Y123-W252 PolarHBondContact O-N 2.97Å; Y123-W252 VanDerWaalsContact O-N 3.12Å; Y123-W252 PolarHBondContact O-NE1 2.85Å |
| 124 | H | 92.6 | Very high | 92.2 | Very high | 36 Ų | 36 | 32 Ų | 32 | 17% | 0.167 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 160.7 | 172.7 | 72.3 | 90 | 0 | 0 | 0 | 112.2 | K126 D127 W252 K254 | H124-K126 VanDerWaalsContact CE1-C 3.43Å; H124-K126 PolarHBondContact ND1-N 2.91Å; H124-K126 PolarHBondContact O-N 2.71Å; H124-D127 HydrophobicContact CB-CB 4.41Å; H124-D127 VanDerWaalsContact CD2-CG 3.44Å; H124-D127 IonicContact CD2-OD2 2.74Å; H124-D127 PolarHBondContact CD2-OD2 3.47Å; H124-D127 IonicContact CG-OD2 2.91Å; H124-D127 PolarHBondContact N-OD2 3.48Å; H124-D127 VanDerWaalsContact N-OD2 3.07Å; H124-D127 IonicContact NE2-OD2 3.35Å; H124-D127 WeakPolarHBondContact O-CB 3.49Å; H124-D127 PolarHBondContact O-N 2.89Å; H124-W252 CarbonylContact C-O 3.52Å; H124-W252 WeakPolarHBondContact CA-O 3.49Å; H124-W252 HydrophobicContact CB-CD2 4.04Å; H124-W252 HydrophobicContact CB-CE3 4.35Å; H124-W252 HydrophobicContact CB-CH2 4.39Å; H124-W252 HydrophobicContact CB-CZ2 4.05Å; H124-W252 WeakPolarHBondContact CB-O 3.36Å; H124-K254 HydrophobicContact CB-CB 3.82Å; H124-K254 HydrophobicContact CB-CD 4.39Å |
| 125 | L | 93.3 | Very high | 92.3 | Very high | 16 Ų | 16 | 32 Ų | 32 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 0 | -176.2 | -49.3 | 176.4 | 0 | 0 | 0 | 115.7 | L214 T215 P216 L251 W252 R253 | L125-L214 HydrophobicContact CD2-CB 4.05Å; L125-T215 VanDerWaalsContact CD2-C 3.47Å; L125-T215 WeakPolarHBondContact CD2-O 3.08Å; L125-P216 HydrophobicContact CD1-CG 4.28Å; L125-L251 HydrophobicContact CD2-CB 3.89Å; L125-L251 HydrophobicContact CD2-CD1 4.49Å; L125-W252 WeakPolarHBondContact CG-O 3.49Å; L125-W252 PolarHBondContact N-O 3.22Å; L125-W252 VanDerWaalsContact N-O 3.08Å; L125-R253 HydrophobicContact CD1-CB 4Å; L125-R253 HydrophobicContact CD1-CG 4.01Å |
| 126 | K | 90.9 | Very high | 92.2 | Very high | 123 Ų | 123 | 34.2 Ų | 34.2 | 54% | 0.535 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | 16.7 | 178.5 | -61.4 | 179.9 | 178.9 | 176.5 | 0 | 111.9 | H124 E256 | H124-K126 VanDerWaalsContact CE1-C 3.43Å; H124-K126 PolarHBondContact ND1-N 2.91Å; H124-K126 PolarHBondContact O-N 2.71Å; K126-E256 IonicContact NZ-OE1 3.77Å; K126-E256 PolarHBondContact NZ-OE1 3.43Å |
| 127 | D | 91.3 | Very high | 92 | Very high | 21 Ų | 21 | 36.2 Ų | 36.2 | 11% | 0.112 | 18% | 0.179 | C | C | . | . | trans | -85.4 | -177.2 | -174.1 | -151.6 | -25.8 | 0 | 0 | 0 | 111.1 | Y123 H124 L209 | Y123-D127 HydrophobicContact CD1-CB 4.29Å; H124-D127 HydrophobicContact CB-CB 4.41Å; H124-D127 VanDerWaalsContact CD2-CG 3.44Å; H124-D127 IonicContact CD2-OD2 2.74Å; H124-D127 PolarHBondContact CD2-OD2 3.47Å; H124-D127 IonicContact CG-OD2 2.91Å; H124-D127 PolarHBondContact N-OD2 3.48Å; H124-D127 VanDerWaalsContact N-OD2 3.07Å; H124-D127 IonicContact NE2-OD2 3.35Å; H124-D127 WeakPolarHBondContact O-CB 3.49Å; H124-D127 PolarHBondContact O-N 2.89Å; D127-L209 HydrophobicContact CB-CD1 4.33Å; D127-L209 WeakPolarHBondContact O-CB 3.5Å; D127-L209 PolarHBondContact O-N 3.03Å | ||
| 128 | V | 92.5 | Very high | 91.7 | Very high | 34 Ų | 34 | 36.3 Ų | 36.3 | 21% | 0.206 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 122.6 | 174.2 | -171.1 | 0 | 0 | 0 | 0 | 110 | Y123 V130 R206 L207 F208 | Y123-V128 WeakPolarHBondContact CE1-O 3.25Å; V128-V130 HydrophobicContact CB-CG2 4.27Å; V128-V130 HydrophobicContact CG1-CG2 3.95Å; V128-V130 PolarHBondContact O-N 3.26Å; V128-R206 HydrophobicContact CG1-CB 4.22Å; V128-R206 HydrophobicContact CG1-CG 4.42Å; V128-L207 WeakPolarHBondContact CA-O 3.47Å; V128-F208 HydrophobicContact CG1-CD1 4.22Å; V128-F208 HydrophobicContact CG1-CE1 4.27Å; V128-F208 HydrophobicContact CG1-CG 4.38Å; V128-F208 HydrophobicContact CG1-CZ 4.48Å; V128-F208 HydrophobicContact CG2-CD1 3.48Å; V128-F208 VanDerWaalsContact CG2-CD1 3.48Å; V128-F208 HydrophobicContact CG2-CE1 3.76Å; V128-F208 HydrophobicContact CG2-CG 4.25Å |
| 129 | I | 92.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 108.4 | 167.5 | -52 | -173.5 | 0 | 0 | 0 | 106.8 | Y123 I149 R206 L207 L209 L231 I249 | Y123-I129 HydrophobicContact CD1-CG1 4.18Å; Y123-I129 HydrophobicContact CD2-CD1 4.16Å; Y123-I129 HydrophobicContact CD2-CG1 3.86Å; Y123-I129 HydrophobicContact CE1-CB 4.27Å; Y123-I129 HydrophobicContact CE1-CG1 4.07Å; Y123-I129 HydrophobicContact CE2-CB 4.3Å; Y123-I129 HydrophobicContact CE2-CD1 4.11Å; Y123-I129 HydrophobicContact CE2-CG1 3.73Å; Y123-I129 HydrophobicContact CE2-CG2 4.09Å; Y123-I129 HydrophobicContact CG-CG1 4.08Å; I129-I149 HydrophobicContact CD1-CD1 4.12Å; I129-R206 WeakPolarHBondContact O-CA 3.35Å; I129-L207 HydrophobicContact CB-CB 4.07Å; I129-L207 HydrophobicContact CB-CD1 4.45Å; I129-L207 HydrophobicContact CD1-CD1 4.32Å; I129-L207 HydrophobicContact CG1-CB 4.45Å; I129-L207 PolarHBondContact N-O 3.13Å; I129-L207 PolarHBondContact O-N 3.09Å; I129-L209 HydrophobicContact CD1-CD2 3.97Å; I129-L209 HydrophobicContact CG1-CD1 4.19Å; I129-L209 HydrophobicContact CG1-CD2 4.05Å; I129-L209 HydrophobicContact CG1-CG 4.22Å; I129-L231 HydrophobicContact CD1-CD1 4.31Å; I129-L231 HydrophobicContact CD1-CD2 3.93Å; I129-L231 HydrophobicContact CD1-CG 4.33Å; I129-L231 HydrophobicContact CG2-CD1 4.2Å; I129-I249 HydrophobicContact CD1-CD1 3.84Å |
| 130 | V | 92.4 | Very high | 91.3 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 33% | 0.327 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128.9 | 177.1 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | Y118 N119 V128 R206 | Y118-V130 WeakPolarHBondContact CA-O 3.5Å; N119-V130 PolarHBondContact N-O 3.11Å; N119-V130 PolarHBondContact OD1-N 2.88Å; N119-V130 VanDerWaalsContact OD1-N 3.15Å; N119-V130 PolarHBondContact OD1-O 3.01Å; N119-V130 VanDerWaalsContact OD1-O 3.06Å; V128-V130 HydrophobicContact CB-CG2 4.27Å; V128-V130 HydrophobicContact CG1-CG2 3.95Å; V128-V130 PolarHBondContact O-N 3.26Å; V130-R206 HydrophobicContact CG1-CG 4.5Å; V130-R206 HydrophobicContact CG2-CG 4.43Å |
| 131 | G | 92.6 | Very high | 91.2 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 13% | 0.134 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | -176.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E117 I205 | E117-G131 CarbonylContact O-C 3.55Å; E117-G131 WeakPolarHBondContact O-CA 3.5Å; G131-I205 PolarHBondContact N-O 3.44Å; G131-I205 PolarHBondContact O-N 2.86Å |
| 132 | K | 93.9 | Very high | 91.1 | Very high | 68 Ų | 68 | 45.6 Ų | 45.6 | 30% | 0.296 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 138.6 | 178.2 | -147.5 | -168.2 | -165.6 | -160.3 | 0 | 110.4 | E117 Y134 S202 I203 | E117-K132 PolarHBondContact N-O 2.93Å; E117-K132 PolarHBondContact O-N 2.94Å; K132-Y134 HydrophobicContact CB-CE2 4.07Å; K132-Y134 HydrophobicContact CD-CD1 4.42Å; K132-Y134 HydrophobicContact CD-CE1 3.67Å; K132-Y134 HydrophobicContact CD-CE2 4.4Å; K132-S202 VanDerWaalsContact CE-OG 3.27Å; K132-S202 WeakPolarHBondContact CE-OG 3.43Å; K132-S202 PolarHBondContact NZ-OG 3.18Å; K132-I203 CarbonylContact C-O 3.43Å; K132-I203 WeakPolarHBondContact CA-O 3.44Å |
| 133 | I | 93.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 139.8 | 169.8 | -71 | 159.1 | 0 | 0 | 0 | 108.4 | I114 E115 F116 F135 M145 I147 I192 S202 I203 I205 | I114-I133 HydrophobicContact CG2-CG2 4.05Å; E115-I133 CarbonylContact O-C 3.5Å; E115-I133 WeakPolarHBondContact O-CA 3.44Å; F116-I133 HydrophobicContact CB-CG1 4.12Å; F116-I133 HydrophobicContact CD2-CG1 3.84Å; F116-I133 HydrophobicContact CG-CG1 4.23Å; I133-F135 HydrophobicContact CG2-CD2 4.4Å; I133-F135 HydrophobicContact CG2-CE1 4.01Å; I133-F135 HydrophobicContact CG2-CE2 3.86Å; I133-F135 HydrophobicContact CG2-CZ 3.64Å; I133-M145 HydrophobicContact CD1-CE 3.7Å; I133-M145 HydrophobicContact CD1-SD 4.31Å; I133-M145 HydrophobicContact CG1-CE 4.09Å; I133-M145 HydrophobicContact CG2-CE 3.69Å; I133-M145 HydrophobicContact CG2-SD 4.34Å; I133-I147 HydrophobicContact CD1-CD1 4.05Å; I133-I192 HydrophobicContact CD1-CD1 3.55Å; I133-I192 HydrophobicContact CD1-CG1 4.11Å; I133-I192 HydrophobicContact CD1-CG2 3.83Å; I133-S202 CarbonylContact O-C 3.47Å; I133-S202 WeakPolarHBondContact O-CA 3.48Å; I133-S202 WeakPolarHBondContact O-CB 3.38Å; I133-I203 HydrophobicContact CB-CB 4.48Å; I133-I203 PolarHBondContact N-O 3.46Å; I133-I203 PolarHBondContact O-N 3.27Å; I133-I205 HydrophobicContact CD1-CD1 3.96Å; I133-I205 HydrophobicContact CD1-CG1 3.88Å; I133-I205 HydrophobicContact CG1-CG1 4.28Å |
| 134 | Y | 93.9 | Very high | 90.6 | Very high | 65 Ų | 65 | 48 Ų | 48 | 26% | 0.255 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129.5 | 173.8 | -54.4 | -92.8 | 0 | 0 | 0 | 110.3 | I114 E115 E117 K132 L136 | I114-Y134 WeakPolarHBondContact CA-O 3.39Å; E115-Y134 HydrophobicContact CB-CD2 4.48Å; E115-Y134 PolarHBondContact N-O 2.89Å; E115-Y134 PolarHBondContact O-N 3.4Å; E117-Y134 HydrophobicContact CB-CE2 3.8Å; E117-Y134 VanDerWaalsContact OE2-CE2 3.29Å; E117-Y134 WeakPolarHBondContact OE2-CE2 3.48Å; E117-Y134 PolarHBondContact OE2-OH 3.4Å; K132-Y134 HydrophobicContact CB-CE2 4.07Å; K132-Y134 HydrophobicContact CD-CD1 4.42Å; K132-Y134 HydrophobicContact CD-CE1 3.67Å; K132-Y134 HydrophobicContact CD-CE2 4.4Å; Y134-L136 PolarHBondContact O-N 3.27Å |
| 135 | F | 92.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 83.9 | 176 | -62.1 | -74.8 | 0 | 0 | 0 | 109.7 | I114 I133 V138 M145 M193 P197 K199 G200 E201 I203 | I114-F135 HydrophobicContact CD1-CD1 3.82Å; I114-F135 HydrophobicContact CD1-CE1 3.85Å; I114-F135 HydrophobicContact CG1-CD1 3.85Å; I114-F135 HydrophobicContact CG1-CE1 4.28Å; I114-F135 HydrophobicContact CG2-CD1 4.37Å; I114-F135 HydrophobicContact CG2-CE1 4.31Å; I133-F135 HydrophobicContact CG2-CD2 4.4Å; I133-F135 HydrophobicContact CG2-CE1 4.01Å; I133-F135 HydrophobicContact CG2-CE2 3.86Å; I133-F135 HydrophobicContact CG2-CZ 3.64Å; F135-V138 HydrophobicContact CB-CG2 3.91Å; F135-V138 HydrophobicContact CD1-CG2 4.13Å; F135-V138 HydrophobicContact CG-CG2 4.43Å; F135-M145 HydrophobicContact CE1-CE 4.4Å; F135-M145 HydrophobicContact CE1-SD 3.81Å; F135-M145 HydrophobicContact CZ-SD 3.78Å; F135-M193 HydrophobicContact CZ-SD 4.26Å; F135-P197 HydrophobicContact CD1-CB 3.74Å; F135-P197 HydrophobicContact CD1-CG 3.49Å; F135-P197 VanDerWaalsContact CD1-CG 3.49Å; F135-P197 HydrophobicContact CD2-CB 3.77Å; F135-P197 HydrophobicContact CD2-CG 4.42Å; F135-P197 HydrophobicContact CE1-CB 3.81Å; F135-P197 HydrophobicContact CE1-CG 3.42Å; F135-P197 VanDerWaalsContact CE1-CG 3.42Å; F135-P197 HydrophobicContact CE2-CB 3.81Å; F135-P197 HydrophobicContact CE2-CG 4.34Å; F135-P197 HydrophobicContact CG-CB 3.73Å; F135-P197 HydrophobicContact CG-CG 4.03Å; F135-P197 HydrophobicContact CZ-CB 3.84Å; F135-P197 HydrophobicContact CZ-CG 3.87Å; F135-K199 WeakPolarHBondContact O-CA 3.25Å; F135-G200 PolarHBondContact O-N 3.44Å; F135-E201 HydrophobicContact CD2-CB 3.83Å; F135-E201 WeakPolarHBondContact CD2-O 3.37Å; F135-E201 PolarHBondContact N-O 3.22Å; F135-I203 HydrophobicContact CE2-CD1 3.76Å; F135-I203 HydrophobicContact CE2-CG1 4.08Å; F135-I203 HydrophobicContact CZ-CD1 4.08Å |
| 136 | L | 90.3 | Very high | 90.5 | Very high | 65 Ų | 65 | 46 Ų | 46 | 34% | 0.34 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | -33.1 | -173.2 | -57.9 | 177.2 | 0 | 0 | 0 | 112.7 | H113 E115 Y134 K199 | H113-L136 HydrophobicContact CB-CB 4.14Å; H113-L136 WeakPolarHBondContact O-CA 3.37Å; H113-L136 WeakPolarHBondContact O-CB 2.93Å; H113-L136 PolarHBondContact O-N 3.29Å; E115-L136 HydrophobicContact CB-CD1 3.99Å; Y134-L136 PolarHBondContact O-N 3.27Å; L136-K199 VanDerWaalsContact O-CD 3.29Å; L136-K199 WeakPolarHBondContact O-CD 3.29Å; L136-K199 WeakPolarHBondContact O-CE 3.31Å; L136-K199 WeakPolarHBondContact O-CG 3.46Å |
| 137 | L | 89.5 | Confident | 90.6 | Very high | 42 Ų | 42 | 40.2 Ų | 40.2 | 22% | 0.22 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 130.3 | 171.4 | -178 | 64.9 | 0 | 0 | 0 | 109.8 | L112 H113 R139 | L112-L137 CarbonylContact C-O 3.28Å; L112-L137 WeakPolarHBondContact CA-O 3.28Å; H113-L137 HydrophobicContact CB-CB 3.79Å; H113-L137 PolarHBondContact N-O 2.84Å; H113-L137 PolarHBondContact O-N 3.35Å; L137-R139 HydrophobicContact CD1-CG 4.26Å |
| 138 | V | 88.3 | Confident | 90.7 | Very high | 32 Ų | 32 | 39.4 Ų | 39.4 | 19% | 0.194 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 92.5 | 176 | -171.7 | 0 | 0 | 0 | 0 | 108.2 | L112 F135 I140 P197 | L112-V138 HydrophobicContact CD1-CG1 4.34Å; L112-V138 HydrophobicContact CD1-CG2 4.48Å; F135-V138 HydrophobicContact CB-CG2 3.91Å; F135-V138 HydrophobicContact CD1-CG2 4.13Å; F135-V138 HydrophobicContact CG-CG2 4.43Å; V138-I140 WeakPolarHBondContact CG1-O 3.47Å; V138-P197 HydrophobicContact CG1-CG 4.42Å; V138-P197 HydrophobicContact CG2-CG 4.34Å |
| 139 | R | 86.8 | Confident | 90.8 | Very high | 166 Ų | 166 | 37.9 Ų | 37.9 | 63% | 0.626 | 18% | 0.176 | S | C | * | . | trans | -99.2 | -34.2 | 166.4 | -63.2 | -168.1 | 176.6 | 140.2 | -8.4 | 111.4 | D110 C111 L137 | D110-R139 VanDerWaalsContact O-CD 3.26Å; D110-R139 WeakPolarHBondContact O-CD 3.42Å; D110-R139 PolarHBondContact O-NH1 3.13Å; D110-R139 IonicContact OD1-CZ 3.1Å; D110-R139 IonicContact OD1-NH1 2.73Å; D110-R139 PolarHBondContact OD1-NH1 2.96Å; C111-R139 WeakPolarHBondContact O-CA 3.43Å; C111-R139 WeakPolarHBondContact O-CB 3.22Å; C111-R139 PolarHBondContact O-N 3.14Å; L137-R139 HydrophobicContact CD1-CG 4.26Å | ||
| 140 | I | 87.3 | Confident | 90.9 | Very high | 29 Ų | 29 | 38.9 Ų | 38.9 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -76.3 | 125.3 | 167.5 | -58.1 | 175.4 | 0 | 0 | 0 | 108 | I108 C111 L112 V138 I142 D237 | I108-I140 HydrophobicContact CD1-CD1 3.97Å; C111-I140 HydrophobicContact CB-CD1 3.98Å; C111-I140 HydrophobicContact CB-CG1 4.14Å; C111-I140 PolarHBondContact O-N 2.89Å; L112-I140 HydrophobicContact CB-CD1 4.42Å; V138-I140 WeakPolarHBondContact CG1-O 3.47Å; I140-I142 PolarHBondContact O-N 3.27Å; I140-D237 HydrophobicContact CG2-CB 3.63Å |
| 141 | K | 86.6 | Confident | 91.1 | Very high | 109 Ų | 109 | 37.3 Ų | 37.3 | 47% | 0.474 | 17% | 0.17 | S | C | . | . | trans | -71.5 | 114.1 | 174.3 | -76.1 | -179.6 | 172.7 | -176.4 | 0 | 110.9 | A196 D237 E238 | K141-A196 HydrophobicContact CB-CB 4.35Å; K141-A196 HydrophobicContact CG-CB 4.29Å; K141-D237 VanDerWaalsContact O-CA 3.3Å; K141-D237 WeakPolarHBondContact O-CA 3.45Å; K141-D237 VanDerWaalsContact O-CB 3.24Å; K141-D237 WeakPolarHBondContact O-CB 3.24Å; K141-E238 HydrophobicContact CB-CG 4.1Å; K141-E238 HydrophobicContact CD-CG 4.15Å; K141-E238 WeakPolarHBondContact CD-OE1 3.45Å; K141-E238 WeakPolarHBondContact CD-OE2 3.39Å; K141-E238 IonicContact NZ-OE1 3.65Å; K141-E238 PolarHBondContact NZ-OE1 2.96Å; K141-E238 IonicContact NZ-OE2 2.73Å; K141-E238 PolarHBondContact NZ-OE2 2.84Å; K141-E238 PolarHBondContact O-N 2.94Å | ||
| 142 | I | 88.2 | Confident | 91.2 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 138.4 | 166 | -55.3 | -53.2 | 0 | 0 | 0 | 109 | L112 I114 I140 F144 M145 G195 A196 P197 L235 | L112-I142 HydrophobicContact CD1-CD1 4.02Å; L112-I142 HydrophobicContact CD1-CG1 4.36Å; L112-I142 HydrophobicContact CD2-CD1 4.07Å; I114-I142 HydrophobicContact CD1-CD1 4.44Å; I114-I142 HydrophobicContact CD1-CG1 4.2Å; I140-I142 PolarHBondContact O-N 3.27Å; I142-F144 WeakPolarHBondContact CG2-O 3.42Å; I142-M145 HydrophobicContact CG2-CB 4.43Å; I142-G195 CarbonylContact O-C 3.45Å; I142-A196 WeakPolarHBondContact O-CA 3.49Å; I142-A196 PolarHBondContact O-N 3.15Å; I142-P197 HydrophobicContact CB-CG 4.44Å; I142-P197 HydrophobicContact CG1-CG 4.47Å; I142-L235 HydrophobicContact CD1-CB 4.43Å; I142-L235 HydrophobicContact CD1-CD2 3.92Å; I142-L235 HydrophobicContact CG1-CD2 4.09Å; I142-L235 HydrophobicContact CG2-CD2 3.99Å |
| 143 | K | 85.8 | Confident | 91.2 | Very high | 94 Ų | 94 | 36.3 Ų | 36.3 | 41% | 0.409 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -44.3 | 173 | 172.8 | 179.9 | 174.1 | 177.4 | 0 | 110.6 | G195 V236 D237 E240 | K143-G195 PolarHBondContact O-N 2.96Å; K143-V236 PolarHBondContact N-O 3.31Å; K143-D237 WeakPolarHBondContact CB-O 3.45Å; K143-E240 IonicContact NZ-OE1 3.25Å; K143-E240 PolarHBondContact NZ-OE1 2.93Å |
| 144 | F | 87.9 | Confident | 91 | Very high | 38 Ų | 38 | 37.8 Ų | 37.8 | 17% | 0.167 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 145.5 | -173.8 | 169.6 | -94.4 | 0 | 0 | 0 | 111.1 | I142 E146 E191 M193 V236 | I142-F144 WeakPolarHBondContact CG2-O 3.42Å; F144-E146 HydrophobicContact CE1-CB 3.91Å; F144-E146 HydrophobicContact CE1-CG 3.71Å; F144-E146 HydrophobicContact CZ-CB 3.87Å; F144-E146 HydrophobicContact CZ-CG 4.08Å; F144-E191 HydrophobicContact CE2-CB 4.26Å; F144-E191 HydrophobicContact CE2-CG 3.88Å; F144-E191 HydrophobicContact CZ-CG 3.91Å; F144-M193 WeakPolarHBondContact CA-O 3.18Å; F144-V236 HydrophobicContact CB-CB 4.36Å; F144-V236 HydrophobicContact CD1-CG2 4.04Å; F144-V236 PolarHBondContact N-O 2.91Å; F144-V236 VanDerWaalsContact N-O 3.14Å; F144-V236 PolarHBondContact O-N 3.43Å |
| 145 | M | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 134.1 | 178.8 | -171 | -179.9 | -173.3 | 0 | 0 | 111.7 | I114 I133 F135 I142 I192 M193 L233 V234 L235 | I114-M145 HydrophobicContact CG2-CE 3.67Å; I133-M145 HydrophobicContact CD1-CE 3.7Å; I133-M145 HydrophobicContact CD1-SD 4.31Å; I133-M145 HydrophobicContact CG1-CE 4.09Å; I133-M145 HydrophobicContact CG2-CE 3.69Å; I133-M145 HydrophobicContact CG2-SD 4.34Å; F135-M145 HydrophobicContact CE1-CE 4.4Å; F135-M145 HydrophobicContact CE1-SD 3.81Å; F135-M145 HydrophobicContact CZ-SD 3.78Å; I142-M145 HydrophobicContact CG2-CB 4.43Å; M145-I192 HydrophobicContact CB-CB 4.36Å; M145-I192 HydrophobicContact CE-CD1 4.44Å; M145-I192 HydrophobicContact CG-CB 4.36Å; M145-I192 HydrophobicContact CG-CD1 3.83Å; M145-I192 WeakPolarHBondContact O-CB 3.33Å; M145-I192 PolarHBondContact O-N 3.29Å; M145-I192 HydrophobicContact SD-CD1 4.34Å; M145-I192 HydrophobicContact SD-CG2 4.25Å; M145-M193 HydrophobicContact CB-CB 4.46Å; M145-M193 PolarHBondContact N-O 3.23Å; M145-M193 VanDerWaalsContact N-O 3.1Å; M145-L233 HydrophobicContact CE-CD1 3.45Å; M145-L233 VanDerWaalsContact CE-CD1 3.45Å; M145-L233 HydrophobicContact CE-CD2 4.27Å; M145-L233 HydrophobicContact CE-CG 4.44Å; M145-L233 HydrophobicContact CG-CD1 4.2Å; M145-V234 WeakPolarHBondContact CA-O 3.23Å; M145-L235 HydrophobicContact CB-CD2 4.05Å; M145-L235 HydrophobicContact CE-CD2 4Å; M145-L235 HydrophobicContact CG-CD2 3.57Å; M145-L235 HydrophobicContact CG-CG 4.21Å; M145-L235 HydrophobicContact SD-CD2 3.78Å |
| 146 | E | 92.6 | Very high | 89.2 | Confident | 12 Ų | 12 | 35.9 Ų | 35.9 | 6% | 0.056 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 153.3 | 176.2 | 67 | 171.4 | 173.6 | 0 | 0 | 113.9 | F144 K189 Y190 V234 | F144-E146 HydrophobicContact CE1-CB 3.91Å; F144-E146 HydrophobicContact CE1-CG 3.71Å; F144-E146 HydrophobicContact CZ-CB 3.87Å; F144-E146 HydrophobicContact CZ-CG 4.08Å; E146-K189 IonicContact OE1-NZ 2.65Å; E146-K189 PolarHBondContact OE1-NZ 2.67Å; E146-K189 IonicContact OE2-NZ 2.77Å; E146-K189 PolarHBondContact OE2-NZ 2.68Å; E146-Y190 WeakPolarHBondContact CA-O 3.4Å; E146-V234 HydrophobicContact CG-CB 3.81Å; E146-V234 HydrophobicContact CG-CG2 4.35Å; E146-V234 PolarHBondContact N-O 3.06Å; E146-V234 PolarHBondContact O-N 3.48Å |
| 147 | I | 93.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.5 | 163.4 | -75.9 | 158.6 | 0 | 0 | 0 | 108.5 | F116 I133 Y190 I192 I205 L207 L231 L233 | F116-I147 HydrophobicContact CD1-CD1 3.71Å; F116-I147 HydrophobicContact CD1-CG1 4.3Å; F116-I147 HydrophobicContact CD2-CD1 4.03Å; F116-I147 HydrophobicContact CE1-CD1 3.5Å; F116-I147 HydrophobicContact CE1-CG1 4.18Å; F116-I147 HydrophobicContact CE2-CD1 3.83Å; F116-I147 HydrophobicContact CG-CD1 3.99Å; F116-I147 HydrophobicContact CZ-CD1 3.57Å; I133-I147 HydrophobicContact CD1-CD1 4.05Å; I147-Y190 PolarHBondContact N-O 2.99Å; I147-Y190 PolarHBondContact O-N 3.01Å; I147-I192 HydrophobicContact CB-CD1 4.27Å; I147-I192 HydrophobicContact CD1-CD1 3.85Å; I147-I192 HydrophobicContact CG1-CD1 3.8Å; I147-I205 HydrophobicContact CD1-CG1 4.33Å; I147-I205 HydrophobicContact CD1-CG2 4.4Å; I147-L207 HydrophobicContact CG2-CD1 3.94Å; I147-L231 HydrophobicContact CG2-CD2 3.76Å; I147-L233 HydrophobicContact CG1-CB 4.4Å; I147-L233 HydrophobicContact CG1-CD1 3.88Å |
| 148 | A | 93.3 | Very high | 84.7 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 149.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I150 T186 A188 K189 N232 | A148-I150 HydrophobicContact CB-CG1 4.38Å; A148-T186 HydrophobicContact CB-CG2 4.06Å; A148-A188 CarbonylContact C-O 3.53Å; A148-A188 WeakPolarHBondContact CA-O 3.38Å; A148-A188 WeakPolarHBondContact CB-O 3.38Å; A148-K189 HydrophobicContact CB-CG 4.2Å; A148-N232 PolarHBondContact N-O 3.18Å; A148-N232 PolarHBondContact O-N 2.96Å |
| 149 | I | 95.1 | Very high | 82 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 113.2 | 164.9 | -61.5 | 174.8 | 0 | 0 | 0 | 107.6 | I129 V187 A188 L207 L209 Y229 F230 L231 | I129-I149 HydrophobicContact CD1-CD1 4.12Å; I149-V187 PolarHBondContact O-N 3.32Å; I149-A188 HydrophobicContact CB-CB 3.94Å; I149-A188 HydrophobicContact CD1-CB 4.07Å; I149-A188 HydrophobicContact CG1-CB 4.09Å; I149-A188 PolarHBondContact N-O 3.02Å; I149-A188 PolarHBondContact O-N 2.94Å; I149-L207 HydrophobicContact CD1-CD1 4.32Å; I149-L207 HydrophobicContact CG1-CD1 4.45Å; I149-L209 HydrophobicContact CD1-CD2 3.61Å; I149-Y229 HydrophobicContact CG2-CD1 4.19Å; I149-F230 WeakPolarHBondContact CA-O 3.28Å; I149-L231 HydrophobicContact CG1-CD2 4.18Å |
| 150 | I | 95 | Very high | 79.1 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 11% | 0.113 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 121.9 | 179.6 | -57.6 | 179.5 | 0 | 0 | 0 | 109.6 | A148 N184 E185 Y229 F230 N232 | A148-I150 HydrophobicContact CB-CG1 4.38Å; I150-N184 HydrophobicContact CG2-CB 4.24Å; I150-E185 CarbonylContact C-O 3.59Å; I150-E185 WeakPolarHBondContact CA-O 3.45Å; I150-Y229 CarbonylContact O-C 3.5Å; I150-Y229 WeakPolarHBondContact O-CA 3.27Å; I150-F230 PolarHBondContact N-O 3.05Å; I150-F230 PolarHBondContact O-N 3.07Å; I150-N232 HydrophobicContact CD1-CB 3.63Å; I150-N232 HydrophobicContact CG1-CB 4.12Å |
| 151 | K | 95.6 | Very high | 76.1 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 122.1 | 168.1 | 170.4 | -177.8 | 159.2 | -157.4 | 0 | 108.4 | Y59 E185 V187 V227 R228 Y229 | Y59-K151 WeakPolarHBondContact OH-CE 3.4Å; K151-E185 HydrophobicContact CB-CB 4.29Å; K151-E185 VanDerWaalsContact CD-OE2 3.3Å; K151-E185 WeakPolarHBondContact CD-OE2 3.17Å; K151-E185 VanDerWaalsContact CE-OE2 3.23Å; K151-E185 WeakPolarHBondContact CE-OE2 3.36Å; K151-E185 PolarHBondContact N-O 3.01Å; K151-E185 IonicContact NZ-OE2 2.68Å; K151-E185 PolarHBondContact NZ-OE2 3.38Å; K151-E185 PolarHBondContact O-N 2.99Å; K151-V187 HydrophobicContact CB-CG2 3.53Å; K151-V187 HydrophobicContact CD-CG2 4.22Å; K151-V227 HydrophobicContact CD-CG1 4.29Å; K151-V227 HydrophobicContact CG-CG1 3.84Å; K151-R228 CarbonylContact C-O 3.35Å; K151-R228 WeakPolarHBondContact CA-O 3.34Å; K151-Y229 HydrophobicContact CB-CD1 3.98Å; K151-Y229 HydrophobicContact CB-CE1 3.69Å; K151-Y229 HydrophobicContact CD-CE1 4.14Å; K151-Y229 HydrophobicContact CG-CE1 3.95Å |
| 152 | R | 94.3 | Very high | 73.2 | Confident | 55 Ų | 55 | 50.2 Ų | 50.2 | 21% | 0.208 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 106.8 | 175.3 | -174.7 | 172.3 | -65.5 | 142.1 | 12.8 | 109.5 | E183 N184 V227 R228 F230 Q246 | R152-E183 CarbonylContact C-O 3.51Å; R152-E183 VanDerWaalsContact CA-O 3.3Å; R152-E183 WeakPolarHBondContact CA-O 3.38Å; R152-N184 PolarHBondContact NE-OD1 3.36Å; R152-N184 PolarHBondContact NH2-OD1 3Å; R152-V227 WeakPolarHBondContact O-CA 3.37Å; R152-R228 PolarHBondContact N-O 3.28Å; R152-R228 PolarHBondContact O-N 3.36Å; R152-F230 HydrophobicContact CB-CD2 4.35Å; R152-F230 HydrophobicContact CB-CE2 3.91Å; R152-Q246 VanDerWaalsContact NH1-OE1 3.16Å |
| 153 | E | 94.1 | Very high | 70.1 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.019 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 142.4 | 166 | -171.3 | 174.1 | 117.8 | 0 | 0 | 108.3 | Y59 G61 S62 N63 V64 H182 E183 S226 | Y59-E153 VanDerWaalsContact CE1-OE2 3.31Å; Y59-E153 WeakPolarHBondContact CE1-OE2 3.36Å; Y59-E153 PolarHBondContact OH-OE2 3.1Å; G61-E153 WeakPolarHBondContact CA-OE2 3.44Å; S62-E153 PolarHBondContact N-OE1 3.4Å; S62-E153 PolarHBondContact N-OE2 3.34Å; N63-E153 PolarHBondContact N-OE1 2.75Å; V64-E153 HydrophobicContact CG1-CG 4.29Å; V64-E153 PolarHBondContact N-OE1 2.87Å; E153-H182 WeakPolarHBondContact O-CA 3.25Å; E153-E183 HydrophobicContact CB-CB 4.08Å; E153-E183 PolarHBondContact N-O 3Å; E153-E183 PolarHBondContact O-N 3.16Å; E153-S226 CarbonylContact C-O 3.49Å; E153-S226 WeakPolarHBondContact CA-O 3.47Å |
| 154 | T | 88.9 | Confident | 67.3 | Low | 31 Ų | 31 | 57.2 Ų | 57.2 | 19% | 0.19 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 128.1 | -179 | -68.3 | 0 | 0 | 0 | 0 | 109.2 | V180 F181 H182 F225 S226 | T154-V180 HydrophobicContact CG2-CG1 4.1Å; T154-F181 CarbonylContact C-O 3.52Å; T154-F181 VanDerWaalsContact CA-O 3.28Å; T154-F181 WeakPolarHBondContact CA-O 3.47Å; T154-H182 VanDerWaalsContact CG2-CE1 3.46Å; T154-H182 WeakPolarHBondContact CG2-CE1 3.34Å; T154-H182 VanDerWaalsContact CG2-ND1 3.32Å; T154-H182 WeakPolarHBondContact CG2-ND1 3.19Å; T154-H182 PolarHBondContact OG1-ND1 2.81Å; T154-F225 CarbonylContact O-C 3.44Å; T154-F225 WeakPolarHBondContact O-CA 3.38Å; T154-F225 WeakPolarHBondContact O-CB 3.49Å; T154-S226 PolarHBondContact N-O 3.49Å; T154-S226 PolarHBondContact O-N 2.89Å |
| 155 | I | 81.3 | Confident | 64.3 | Low | 3 Ų | 3 | 67.1 Ų | 67.1 | 2% | 0.015 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 134 | -175.3 | -54 | 166 | 0 | 0 | 0 | 109.3 | V16 Y18 N63 V64 F181 R224 F225 | V16-I155 HydrophobicContact CG1-CG2 4.3Å; Y18-I155 HydrophobicContact CE1-CB 4.35Å; Y18-I155 HydrophobicContact CE1-CD1 4.02Å; Y18-I155 HydrophobicContact CE1-CG2 4.12Å; Y18-I155 VanDerWaalsContact OH-CG2 3.23Å; Y18-I155 WeakPolarHBondContact OH-CG2 3.43Å; N63-I155 HydrophobicContact CB-CD1 3.28Å; V64-I155 HydrophobicContact CB-CD1 3.69Å; V64-I155 HydrophobicContact CB-CG1 4.19Å; V64-I155 HydrophobicContact CG1-CD1 3.9Å; V64-I155 HydrophobicContact CG1-CG1 4.08Å; I155-F181 PolarHBondContact N-O 2.88Å; I155-F181 PolarHBondContact O-N 2.97Å; I155-R224 WeakPolarHBondContact CA-O 3.4Å; I155-R224 WeakPolarHBondContact CG2-O 3.41Å; I155-F225 HydrophobicContact CG1-CB 3.94Å |
| 156 | G | 66.8 | Low | 61.2 | Low | 23 Ų | 23 | 75 Ų | 75 | 24% | 0.237 | 38% | 0.381 | C | S | . | . | trans | -129 | 127 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | G158 R224 | G156-G158 PolarHBondContact O-N 3.45Å; G156-R224 PolarHBondContact N-O 2.95Å | ||
| 157 | T | 51.3 | Low | 58 | Low | 56 Ų | 56 | 81.3 Ų | 81.3 | 34% | 0.344 | 42% | 0.415 | S | S | . | . | trans | -72.9 | 111.4 | 168.7 | 49.4 | 0 | 0 | 0 | 0 | 109.2 | S159 | T157-S159 PolarHBondContact O-N 3.06Š| ||
| 158 | G | 35.2 | Very low | 54.9 | Low | 62 Ų | 62 | 87 Ų | 87 | 64% | 0.639 | 45% | 0.449 | S | S | * | . | trans | -60.1 | 109.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G156 | G156-G158 PolarHBondContact O-N 3.45Š| ||
| 159 | S | 31.1 | Very low | 51.8 | Low | 98 Ų | 98 | 93.8 Ų | 93.8 | 69% | 0.685 | 49% | 0.49 | S | S | * | . | trans | -130.6 | 145.5 | 164.5 | -78.9 | 0 | 0 | 0 | 0 | 109.1 | T157 F161 | T157-S159 PolarHBondContact O-N 3.06Å; S159-F161 PolarHBondContact O-N 3.15Å | ||
| 160 | Y | 25.5 | Very low | 48.5 | Very low | 243 Ų | 243 | 98.1 Ų | 98.1 | 95% | 0.953 | 53% | 0.526 | S | S | * | . | trans | -64.3 | 86.3 | -167 | -77.9 | -108.3 | 0 | 0 | 0 | 113.2 | ||||
| 161 | F | 25.6 | Very low | 45.2 | Very low | 141 Ų | 141 | 105.6 Ų | 105.6 | 62% | 0.618 | 56% | 0.563 | S | S | * | * | trans | -126.7 | 89.8 | -176.9 | -113.5 | -106.1 | 0 | 0 | 0 | 114 | S159 I164 | S159-F161 PolarHBondContact O-N 3.15Å; F161-I164 HydrophobicContact CE1-CB 3.91Å; F161-I164 VanDerWaalsContact CE1-O 3.3Å; F161-I164 WeakPolarHBondContact CE1-O 3.33Å; F161-I164 HydrophobicContact CZ-CB 3.85Å; F161-I164 HydrophobicContact CZ-CD1 4.45Å; F161-I164 HydrophobicContact CZ-CG1 4.44Å | ||
| 162 | T | 24.4 | Very low | 41.9 | Very low | 145 Ų | 145 | 116.7 Ų | 116.7 | 89% | 0.89 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -138.4 | 19.2 | 163.4 | -35.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 163 | F | 24.2 | Very low | 38.7 | Very low | 146 Ų | 146 | 120.9 Ų | 120.9 | 64% | 0.64 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -138.3 | -4.6 | -175 | -125.5 | -73.4 | 0 | 0 | 0 | 117.4 | ||
| 164 | I | 25.7 | Very low | 35.3 | Very low | 95 Ų | 95 | 125 Ų | 125 | 49% | 0.487 | 67% | 0.67 | S | S | . | * | trans | -128.8 | 64.7 | -179.1 | -42.7 | -179 | 0 | 0 | 0 | 111.7 | F161 V168 | F161-I164 HydrophobicContact CE1-CB 3.91Å; F161-I164 VanDerWaalsContact CE1-O 3.3Å; F161-I164 WeakPolarHBondContact CE1-O 3.33Å; F161-I164 HydrophobicContact CZ-CB 3.85Å; F161-I164 HydrophobicContact CZ-CD1 4.45Å; F161-I164 HydrophobicContact CZ-CG1 4.44Å; I164-V168 HydrophobicContact CG2-CG2 4.17Å | ||
| 165 | R | 25.4 | Very low | 32.4 | Very low | 246 Ų | 246 | 129.5 Ų | 129.5 | 93% | 0.928 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -120.8 | 10.6 | 172.9 | -146.6 | -179.7 | 158.5 | 159.2 | -3 | 114.7 | ||
| 166 | I | 27.1 | Very low | 29.6 | Very low | 166 Ų | 166 | 138 Ų | 138 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -122.4 | -7.9 | -175.9 | -71.8 | 175.1 | 0 | 0 | 0 | 113 | ||
| 167 | L | 25.3 | Very low | 27.9 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -120.1 | 13.2 | -168.7 | -107.4 | 164.3 | 0 | 0 | 0 | 116.1 | ||
| 168 | V | 27.5 | Very low | 27.2 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | trans | -126.3 | 53.7 | -178 | -162.8 | 0 | 0 | 0 | 0 | 111.5 | I164 | I164-V168 HydrophobicContact CG2-CG2 4.17Š| ||
| 169 | V | 28.7 | Very low | 27.9 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -119.7 | -7.9 | 172.7 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 170 | A | 25.3 | Very low | 29.3 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -105.7 | -9.1 | -162.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 171 | M | 26.5 | Very low | 31.5 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 88% | 0.882 | 75% | 0.748 | S | S | * | * | trans | -139.2 | 131.3 | -177.5 | -63.4 | -170.7 | 78.8 | 0 | 0 | 112.7 | V173 | M171-V173 PolarHBondContact O-N 3.5Š| ||
| 172 | R | 26.2 | Very low | 34.1 | Very low | 254 Ų | 254 | 135 Ų | 135 | 96% | 0.958 | 74% | 0.744 | S | S | * | * | trans | -86.9 | 99.7 | 177.9 | -74.3 | 178.5 | 171.2 | 173.8 | -3.7 | 111.6 | ||||
| 173 | V | 26.3 | Very low | 37.2 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 86% | 0.861 | 72% | 0.72 | S | S | * | * | trans | -139 | 150 | 151.3 | -175 | 0 | 0 | 0 | 0 | 107.3 | M171 | M171-V173 PolarHBondContact O-N 3.5Š| ||
| 174 | A | 23.5 | Very low | 40.3 | Very low | 92 Ų | 92 | 129 Ų | 129 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 143.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 175 | P | 26.7 | Very low | 43.5 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 81% | 0.812 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 129.4 | 178.7 | 33.3 | -32.9 | 0 | 0 | 0 | 112.7 | ||
| 176 | L | 23.5 | Very low | 46.7 | Very low | 181 Ų | 181 | 120.1 Ų | 120.1 | 95% | 0.948 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -78 | 117.1 | 152.9 | -83.4 | 150.4 | 0 | 0 | 0 | 107.6 | ||
| 177 | G | 30.1 | Very low | 49.8 | Very low | 73 Ų | 73 | 113.6 Ų | 113.6 | 75% | 0.753 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 141.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 178 | T | 36.3 | Very low | 52.9 | Low | 137 Ų | 137 | 107 Ų | 107 | 84% | 0.84 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 118.8 | 163.6 | 44.7 | 0 | 0 | 0 | 0 | 109.3 | ||
| 179 | S | 50.7 | Low | 55.9 | Low | 63 Ų | 63 | 106.7 Ų | 106.7 | 44% | 0.441 | 61% | 0.606 | S | S | . | * | trans | -91.3 | 114.4 | -169 | 40.7 | 0 | 0 | 0 | 0 | 113.2 | F181 | S179-F181 WeakPolarHBondContact OG-CE2 3.23Å; S179-F181 WeakPolarHBondContact OG-CZ 3.45Å | ||
| 180 | V | 61.7 | Low | 58.7 | Low | 89 Ų | 89 | 104.3 Ų | 104.3 | 54% | 0.539 | 58% | 0.581 | S | S | . | * | trans | -82.4 | 121.8 | 155.3 | 178.1 | 0 | 0 | 0 | 0 | 107.1 | T154 | T154-V180 HydrophobicContact CG2-CG1 4.1Š| ||
| 181 | F | 70.7 | Confident | 61.8 | Low | 84 Ų | 84 | 106.1 Ų | 106.1 | 37% | 0.368 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 136.9 | 177.8 | -69.3 | -83.7 | 0 | 0 | 0 | 110.3 | Y18 T154 I155 S179 | Y18-F181 HydrophobicContact CD1-CD2 4.3Å; Y18-F181 HydrophobicContact CD1-CE2 4.41Å; Y18-F181 HydrophobicContact CD2-CE2 4.06Å; Y18-F181 AromaticContact CE1-CD2 3.65Å; Y18-F181 HydrophobicContact CE1-CD2 3.65Å; Y18-F181 HydrophobicContact CE1-CE2 4.07Å; Y18-F181 HydrophobicContact CE1-CG 4.28Å; Y18-F181 AromaticContact CE2-CD2 3.99Å; Y18-F181 HydrophobicContact CE2-CD2 3.99Å; Y18-F181 AromaticContact CE2-CE2 3.7Å; Y18-F181 HydrophobicContact CE2-CE2 3.7Å; Y18-F181 HydrophobicContact CG-CE2 4.41Å; Y18-F181 AromaticContact CZ-CD2 3.47Å; Y18-F181 VanDerWaalsContact CZ-CD2 3.47Å; Y18-F181 AromaticContact CZ-CE2 3.7Å; T154-F181 CarbonylContact C-O 3.52Å; T154-F181 VanDerWaalsContact CA-O 3.28Å; T154-F181 WeakPolarHBondContact CA-O 3.47Å; I155-F181 PolarHBondContact N-O 2.88Å; I155-F181 PolarHBondContact O-N 2.97Å; S179-F181 WeakPolarHBondContact OG-CE2 3.23Å; S179-F181 WeakPolarHBondContact OG-CZ 3.45Å |
| 182 | H | 81.3 | Confident | 64.6 | Low | 114 Ų | 114 | 98.9 Ų | 98.9 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 115.4 | 175.6 | -63.2 | -67.2 | 0 | 0 | 0 | 109.3 | E153 T154 | E153-H182 WeakPolarHBondContact O-CA 3.25Å; T154-H182 VanDerWaalsContact CG2-CE1 3.46Å; T154-H182 WeakPolarHBondContact CG2-CE1 3.34Å; T154-H182 VanDerWaalsContact CG2-ND1 3.32Å; T154-H182 WeakPolarHBondContact CG2-ND1 3.19Å; T154-H182 PolarHBondContact OG1-ND1 2.81Å |
| 183 | E | 88.1 | Confident | 67.2 | Low | 84 Ų | 84 | 88.9 Ų | 88.9 | 39% | 0.393 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 138 | 172.8 | -157.4 | 63.6 | -107.2 | 0 | 0 | 108.7 | N63 R152 E153 | N63-E183 PolarHBondContact ND2-OE2 3.2Å; R152-E183 CarbonylContact C-O 3.51Å; R152-E183 VanDerWaalsContact CA-O 3.3Å; R152-E183 WeakPolarHBondContact CA-O 3.38Å; E153-E183 HydrophobicContact CB-CB 4.08Å; E153-E183 PolarHBondContact N-O 3Å; E153-E183 PolarHBondContact O-N 3.16Å |
| 184 | N | 90.6 | Very high | 69.2 | Low | 80 Ų | 80 | 88.7 Ų | 88.7 | 43% | 0.428 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 110.9 | 177.9 | -66.5 | -91.3 | 0 | 0 | 0 | 110.2 | I150 R152 | I150-N184 HydrophobicContact CG2-CB 4.24Å; R152-N184 PolarHBondContact NE-OD1 3.36Å; R152-N184 PolarHBondContact NH2-OD1 3Å |
| 185 | E | 92.4 | Very high | 71.4 | Confident | 80 Ų | 80 | 86 Ų | 86 | 37% | 0.374 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.4 | 179.2 | -178.7 | -179.4 | -179.9 | 0 | 0 | 109.3 | I150 K151 V187 | I150-E185 CarbonylContact C-O 3.59Å; I150-E185 WeakPolarHBondContact CA-O 3.45Å; K151-E185 HydrophobicContact CB-CB 4.29Å; K151-E185 VanDerWaalsContact CD-OE2 3.3Å; K151-E185 WeakPolarHBondContact CD-OE2 3.17Å; K151-E185 VanDerWaalsContact CE-OE2 3.23Å; K151-E185 WeakPolarHBondContact CE-OE2 3.36Å; K151-E185 PolarHBondContact N-O 3.01Å; K151-E185 IonicContact NZ-OE2 2.68Å; K151-E185 PolarHBondContact NZ-OE2 3.38Å; K151-E185 PolarHBondContact O-N 2.99Å; E185-V187 HydrophobicContact CG-CG2 4.39Å; E185-V187 PolarHBondContact O-N 3.29Å |
| 186 | T | 92.1 | Very high | 73.6 | Confident | 75 Ų | 75 | 82.7 Ų | 82.7 | 46% | 0.46 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 102.8 | 175.5 | -57.6 | 0 | 0 | 0 | 0 | 108.8 | A148 A188 K189 | A148-T186 HydrophobicContact CB-CG2 4.06Å; T186-A188 WeakPolarHBondContact CG2-O 3.23Å; T186-K189 HydrophobicContact CG2-CD 4.27Å; T186-K189 HydrophobicContact CG2-CG 3.92Å |
| 187 | V | 91.8 | Very high | 76.4 | Confident | 29 Ų | 29 | 74.3 Ų | 74.3 | 18% | 0.176 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -33.5 | -172.7 | -171.9 | 0 | 0 | 0 | 0 | 111.8 | I149 K151 E185 Y212 L214 Y229 | I149-V187 PolarHBondContact O-N 3.32Å; K151-V187 HydrophobicContact CB-CG2 3.53Å; K151-V187 HydrophobicContact CD-CG2 4.22Å; E185-V187 HydrophobicContact CG-CG2 4.39Å; E185-V187 PolarHBondContact O-N 3.29Å; V187-Y212 HydrophobicContact CG1-CD1 4.41Å; V187-Y212 VanDerWaalsContact O-CD1 3.29Å; V187-Y212 WeakPolarHBondContact O-CD1 3.48Å; V187-L214 HydrophobicContact CB-CD2 4.5Å; V187-L214 HydrophobicContact CG1-CD2 3.8Å; V187-Y229 HydrophobicContact CG2-CE1 4.42Å |
| 188 | A | 90.3 | Very high | 79 | Confident | 6 Ų | 6 | 75 Ų | 75 | 5% | 0.05 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 146.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | A148 I149 T186 Y212 | A148-A188 CarbonylContact C-O 3.53Å; A148-A188 WeakPolarHBondContact CA-O 3.38Å; A148-A188 WeakPolarHBondContact CB-O 3.38Å; I149-A188 HydrophobicContact CB-CB 3.94Å; I149-A188 HydrophobicContact CD1-CB 4.07Å; I149-A188 HydrophobicContact CG1-CB 4.09Å; I149-A188 PolarHBondContact N-O 3.02Å; I149-A188 PolarHBondContact O-N 2.94Å; T186-A188 WeakPolarHBondContact CG2-O 3.23Å; A188-Y212 HydrophobicContact CB-CD1 3.92Å; A188-Y212 HydrophobicContact CB-CD2 4.49Å; A188-Y212 HydrophobicContact CB-CE1 3.4Å; A188-Y212 HydrophobicContact CB-CE2 4.03Å; A188-Y212 HydrophobicContact CB-CG 4.44Å; A188-Y212 VanDerWaalsContact CB-CZ 3.46Å |
| 189 | K | 90.7 | Very high | 81.4 | Confident | 113 Ų | 113 | 75.9 Ų | 75.9 | 49% | 0.491 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 139.5 | 165.8 | -95.9 | 168.6 | 159 | -88.6 | 0 | 108.1 | E146 A148 T186 | E146-K189 IonicContact OE1-NZ 2.65Å; E146-K189 PolarHBondContact OE1-NZ 2.67Å; E146-K189 IonicContact OE2-NZ 2.77Å; E146-K189 PolarHBondContact OE2-NZ 2.68Å; A148-K189 HydrophobicContact CB-CG 4.2Å; T186-K189 HydrophobicContact CG2-CD 4.27Å; T186-K189 HydrophobicContact CG2-CG 3.92Å |
| 190 | Y | 88.6 | Confident | 83.1 | Confident | 97 Ų | 97 | 76 Ų | 76 | 38% | 0.38 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 100.9 | 179.2 | -159.6 | -91.2 | 0 | 0 | 0 | 108.2 | E146 I147 I192 I205 L207 | E146-Y190 WeakPolarHBondContact CA-O 3.4Å; I147-Y190 PolarHBondContact N-O 2.99Å; I147-Y190 PolarHBondContact O-N 3.01Å; Y190-I192 HydrophobicContact CD1-CG1 4.45Å; Y190-I205 HydrophobicContact CD1-CD1 4.41Å; Y190-I205 HydrophobicContact CE1-CD1 4.19Å; Y190-L207 HydrophobicContact CD1-CD2 4.07Å; Y190-L207 HydrophobicContact CD2-CD2 3.4Å; Y190-L207 HydrophobicContact CE2-CD2 4.04Å; Y190-L207 HydrophobicContact CG-CD2 3.4Å |
| 191 | E | 89.5 | Confident | 84.5 | Confident | 132 Ų | 132 | 75.8 Ų | 75.8 | 62% | 0.617 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 131.3 | 177.7 | -60.3 | 178.6 | 156.9 | 0 | 0 | 108.2 | F144 | F144-E191 HydrophobicContact CE2-CB 4.26Å; F144-E191 HydrophobicContact CE2-CG 3.88Å; F144-E191 HydrophobicContact CZ-CG 3.91Å |
| 192 | I | 85.5 | Confident | 85.5 | Confident | 27 Ų | 27 | 73.9 Ų | 73.9 | 14% | 0.138 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -39 | -167.8 | -65.4 | 151.2 | 0 | 0 | 0 | 110.9 | I133 M145 I147 Y190 I203 I205 | I133-I192 HydrophobicContact CD1-CD1 3.55Å; I133-I192 HydrophobicContact CD1-CG1 4.11Å; I133-I192 HydrophobicContact CD1-CG2 3.83Å; M145-I192 HydrophobicContact CB-CB 4.36Å; M145-I192 HydrophobicContact CE-CD1 4.44Å; M145-I192 HydrophobicContact CG-CB 4.36Å; M145-I192 HydrophobicContact CG-CD1 3.83Å; M145-I192 WeakPolarHBondContact O-CB 3.33Å; M145-I192 PolarHBondContact O-N 3.29Å; M145-I192 HydrophobicContact SD-CD1 4.34Å; M145-I192 HydrophobicContact SD-CG2 4.25Å; I147-I192 HydrophobicContact CB-CD1 4.27Å; I147-I192 HydrophobicContact CD1-CD1 3.85Å; I147-I192 HydrophobicContact CG1-CD1 3.8Å; Y190-I192 HydrophobicContact CD1-CG1 4.45Å; I192-I203 HydrophobicContact CG2-CB 4.45Å; I192-I203 HydrophobicContact CG2-CD1 3.62Å; I192-I203 HydrophobicContact CG2-CG2 4.13Å; I192-I205 HydrophobicContact CG1-CD1 4.02Å; I192-I205 HydrophobicContact CG2-CD1 4.46Å |
| 193 | M | 80.7 | Confident | 86 | Confident | 43 Ų | 43 | 70.4 Ų | 70.4 | 21% | 0.212 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 131.4 | -166.8 | 168.7 | 170 | -89 | 0 | 0 | 110.6 | F135 F144 M145 G195 P197 I203 | F135-M193 HydrophobicContact CZ-SD 4.26Å; F144-M193 WeakPolarHBondContact CA-O 3.18Å; M145-M193 HydrophobicContact CB-CB 4.46Å; M145-M193 PolarHBondContact N-O 3.23Å; M145-M193 VanDerWaalsContact N-O 3.1Å; M193-G195 WeakPolarHBondContact CG-O 3.44Å; M193-P197 HydrophobicContact CE-CB 3.95Å; M193-P197 HydrophobicContact SD-CB 3.66Å; M193-P197 HydrophobicContact SD-CG 3.74Å; M193-I203 HydrophobicContact CE-CD1 3.99Å |
| 194 | D | 68.9 | Low | 86.3 | Confident | 139 Ų | 139 | 71.2 Ų | 71.2 | 74% | 0.743 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 133.5 | 151.8 | -83.4 | -45 | 0 | 0 | 0 | 108.2 | ||
| 195 | G | 68.8 | Low | 86.4 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 35% | 0.351 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 104.6 | 176.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | I142 K143 M193 P197 | I142-G195 CarbonylContact O-C 3.45Å; K143-G195 PolarHBondContact O-N 2.96Å; M193-G195 WeakPolarHBondContact CG-O 3.44Å; G195-P197 WeakPolarHBondContact O-CD 3.31Å |
| 196 | A | 73.4 | Confident | 86.4 | Confident | 56 Ų | 56 | 71.1 Ų | 71.1 | 46% | 0.463 | 39% | 0.389 | S | S | . | . | trans | -95.2 | 116.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K141 I142 | K141-A196 HydrophobicContact CB-CB 4.35Å; K141-A196 HydrophobicContact CG-CB 4.29Å; I142-A196 WeakPolarHBondContact O-CA 3.49Å; I142-A196 PolarHBondContact O-N 3.15Å | ||
| 197 | P | 82.7 | Confident | 86.4 | Confident | 5 Ų | 5 | 67.8 Ų | 67.8 | 3% | 0.032 | 37% | 0.368 | C | S | . | . | trans | -75.4 | 156.4 | 175.9 | 28.4 | -29.2 | 0 | 0 | 0 | 111.8 | F135 V138 I142 M193 G195 E201 | F135-P197 HydrophobicContact CD1-CB 3.74Å; F135-P197 HydrophobicContact CD1-CG 3.49Å; F135-P197 VanDerWaalsContact CD1-CG 3.49Å; F135-P197 HydrophobicContact CD2-CB 3.77Å; F135-P197 HydrophobicContact CD2-CG 4.42Å; F135-P197 HydrophobicContact CE1-CB 3.81Å; F135-P197 HydrophobicContact CE1-CG 3.42Å; F135-P197 VanDerWaalsContact CE1-CG 3.42Å; F135-P197 HydrophobicContact CE2-CB 3.81Å; F135-P197 HydrophobicContact CE2-CG 4.34Å; F135-P197 HydrophobicContact CG-CB 3.73Å; F135-P197 HydrophobicContact CG-CG 4.03Å; F135-P197 HydrophobicContact CZ-CB 3.84Å; F135-P197 HydrophobicContact CZ-CG 3.87Å; V138-P197 HydrophobicContact CG1-CG 4.42Å; V138-P197 HydrophobicContact CG2-CG 4.34Å; I142-P197 HydrophobicContact CB-CG 4.44Å; I142-P197 HydrophobicContact CG1-CG 4.47Å; M193-P197 HydrophobicContact CE-CB 3.95Å; M193-P197 HydrophobicContact SD-CB 3.66Å; M193-P197 HydrophobicContact SD-CG 3.74Å; G195-P197 WeakPolarHBondContact O-CD 3.31Å; P197-E201 VanDerWaalsContact CA-OE2 3.3Å; P197-E201 WeakPolarHBondContact CA-OE2 3.26Å | ||
| 198 | V | 84.2 | Confident | 86.5 | Confident | 89 Ų | 89 | 72 Ų | 72 | 54% | 0.539 | 38% | 0.384 | S | S | . | . | trans | -106.8 | 154.3 | 174.9 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | G200 E201 | V198-G200 PolarHBondContact O-N 3.29Å; V198-E201 HydrophobicContact CG2-CG 3.75Å; V198-E201 PolarHBondContact N-OE2 2.8Å; V198-E201 WeakPolarHBondContact O-CB 3.47Å; V198-E201 PolarHBondContact O-N 2.7Å; V198-E201 VanDerWaalsContact O-N 3.16Å | ||
| 199 | K | 87.7 | Confident | 86.7 | Confident | 155 Ų | 155 | 71.7 Ų | 71.7 | 67% | 0.674 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 127.1 | -179.9 | 175 | 172.6 | 176.2 | 172.6 | 0 | 110.9 | F135 L136 | F135-K199 WeakPolarHBondContact O-CA 3.25Å; L136-K199 VanDerWaalsContact O-CD 3.29Å; L136-K199 WeakPolarHBondContact O-CD 3.29Å; L136-K199 WeakPolarHBondContact O-CE 3.31Å; L136-K199 WeakPolarHBondContact O-CG 3.46Å |
| 200 | G | 85.2 | Confident | 86.7 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 67% | 0.67 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.9 | -10.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F135 V198 | F135-G200 PolarHBondContact O-N 3.44Å; V198-G200 PolarHBondContact O-N 3.29Å |
| 201 | E | 90.7 | Very high | 86.6 | Confident | 84 Ų | 84 | 68.5 Ų | 68.5 | 39% | 0.393 | 40% | 0.398 | S | S | . | . | trans | -66 | 153.1 | 169.7 | -73.7 | -178.3 | 141.5 | 0 | 0 | 111.6 | F135 P197 V198 | F135-E201 HydrophobicContact CD2-CB 3.83Å; F135-E201 WeakPolarHBondContact CD2-O 3.37Å; F135-E201 PolarHBondContact N-O 3.22Å; P197-E201 VanDerWaalsContact CA-OE2 3.3Å; P197-E201 WeakPolarHBondContact CA-OE2 3.26Å; V198-E201 HydrophobicContact CG2-CG 3.75Å; V198-E201 PolarHBondContact N-OE2 2.8Å; V198-E201 WeakPolarHBondContact O-CB 3.47Å; V198-E201 PolarHBondContact O-N 2.7Å; V198-E201 VanDerWaalsContact O-N 3.16Å | ||
| 202 | S | 92.3 | Very high | 86.7 | Confident | 45 Ų | 45 | 65.8 Ų | 65.8 | 32% | 0.315 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 136.8 | 172.6 | 51.6 | 0 | 0 | 0 | 0 | 112.7 | K132 I133 | K132-S202 VanDerWaalsContact CE-OG 3.27Å; K132-S202 WeakPolarHBondContact CE-OG 3.43Å; K132-S202 PolarHBondContact NZ-OG 3.18Å; I133-S202 CarbonylContact O-C 3.47Å; I133-S202 WeakPolarHBondContact O-CA 3.48Å; I133-S202 WeakPolarHBondContact O-CB 3.38Å |
| 203 | I | 92.2 | Very high | 86.8 | Confident | 41 Ų | 41 | 72.1 Ų | 72.1 | 21% | 0.21 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 119.8 | -173.5 | -59.6 | 171.1 | 0 | 0 | 0 | 109.3 | K132 I133 F135 I192 M193 I205 | K132-I203 CarbonylContact C-O 3.43Å; K132-I203 WeakPolarHBondContact CA-O 3.44Å; I133-I203 HydrophobicContact CB-CB 4.48Å; I133-I203 PolarHBondContact N-O 3.46Å; I133-I203 PolarHBondContact O-N 3.27Å; F135-I203 HydrophobicContact CE2-CD1 3.76Å; F135-I203 HydrophobicContact CE2-CG1 4.08Å; F135-I203 HydrophobicContact CZ-CD1 4.08Å; I192-I203 HydrophobicContact CG2-CB 4.45Å; I192-I203 HydrophobicContact CG2-CD1 3.62Å; I192-I203 HydrophobicContact CG2-CG2 4.13Å; M193-I203 HydrophobicContact CE-CD1 3.99Å; I203-I205 HydrophobicContact CG2-CD1 4.12Å |
| 204 | P | 93.9 | Very high | 87.4 | Confident | 100 Ų | 100 | 70.6 Ų | 70.6 | 65% | 0.649 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 136.4 | 175.1 | 31.1 | -33.2 | 0 | 0 | 0 | 111.4 | ||
| 205 | I | 93.6 | Very high | 88.6 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 135.7 | -176.5 | -59.3 | -60.8 | 0 | 0 | 0 | 110.1 | F116 G131 I133 I147 Y190 I192 I203 L207 | F116-I205 HydrophobicContact CE2-CB 4.27Å; F116-I205 HydrophobicContact CE2-CG1 4.31Å; F116-I205 HydrophobicContact CE2-CG2 4.46Å; G131-I205 PolarHBondContact N-O 3.44Å; G131-I205 PolarHBondContact O-N 2.86Å; I133-I205 HydrophobicContact CD1-CD1 3.96Å; I133-I205 HydrophobicContact CD1-CG1 3.88Å; I133-I205 HydrophobicContact CG1-CG1 4.28Å; I147-I205 HydrophobicContact CD1-CG1 4.33Å; I147-I205 HydrophobicContact CD1-CG2 4.4Å; Y190-I205 HydrophobicContact CD1-CD1 4.41Å; Y190-I205 HydrophobicContact CE1-CD1 4.19Å; I192-I205 HydrophobicContact CG1-CD1 4.02Å; I192-I205 HydrophobicContact CG2-CD1 4.46Å; I203-I205 HydrophobicContact CG2-CD1 4.12Å; I205-L207 HydrophobicContact CG2-CD2 4.31Å; I205-L207 HydrophobicContact CG2-CG 4.09Å |
| 206 | R | 92.6 | Very high | 89.9 | Confident | 157 Ų | 157 | 64.1 Ų | 64.1 | 59% | 0.592 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 105.8 | 173.4 | -78.1 | -175.6 | 165.4 | 160.1 | -4.4 | 111.1 | V128 I129 V130 F208 | V128-R206 HydrophobicContact CG1-CB 4.22Å; V128-R206 HydrophobicContact CG1-CG 4.42Å; I129-R206 WeakPolarHBondContact O-CA 3.35Å; V130-R206 HydrophobicContact CG1-CG 4.5Å; V130-R206 HydrophobicContact CG2-CG 4.43Å; R206-F208 HydrophobicContact CB-CE2 4.07Å |
| 207 | L | 91.7 | Very high | 90.9 | Very high | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 109.5 | 175.6 | -49.9 | 172.6 | 0 | 0 | 0 | 109.6 | V128 I129 I147 I149 Y190 I205 L209 L231 | V128-L207 WeakPolarHBondContact CA-O 3.47Å; I129-L207 HydrophobicContact CB-CB 4.07Å; I129-L207 HydrophobicContact CB-CD1 4.45Å; I129-L207 HydrophobicContact CD1-CD1 4.32Å; I129-L207 HydrophobicContact CG1-CB 4.45Å; I129-L207 PolarHBondContact N-O 3.13Å; I129-L207 PolarHBondContact O-N 3.09Å; I147-L207 HydrophobicContact CG2-CD1 3.94Å; I149-L207 HydrophobicContact CD1-CD1 4.32Å; I149-L207 HydrophobicContact CG1-CD1 4.45Å; Y190-L207 HydrophobicContact CD1-CD2 4.07Å; Y190-L207 HydrophobicContact CD2-CD2 3.4Å; Y190-L207 HydrophobicContact CE2-CD2 4.04Å; Y190-L207 HydrophobicContact CG-CD2 3.4Å; I205-L207 HydrophobicContact CG2-CD2 4.31Å; I205-L207 HydrophobicContact CG2-CG 4.09Å; L207-L209 PolarHBondContact O-N 3.05Å; L207-L231 HydrophobicContact CD1-CD2 3.95Å |
| 208 | F | 93.3 | Very high | 91.5 | Very high | 117 Ų | 117 | 62.8 Ų | 62.8 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 108.5 | 178.8 | -66 | -95.5 | 0 | 0 | 0 | 110 | V128 R206 S210 Y212 | V128-F208 HydrophobicContact CG1-CD1 4.22Å; V128-F208 HydrophobicContact CG1-CE1 4.27Å; V128-F208 HydrophobicContact CG1-CG 4.38Å; V128-F208 HydrophobicContact CG1-CZ 4.48Å; V128-F208 HydrophobicContact CG2-CD1 3.48Å; V128-F208 VanDerWaalsContact CG2-CD1 3.48Å; V128-F208 HydrophobicContact CG2-CE1 3.76Å; V128-F208 HydrophobicContact CG2-CG 4.25Å; R206-F208 HydrophobicContact CB-CE2 4.07Å; F208-S210 VanDerWaalsContact C-N 3.29Å; F208-S210 PolarHBondContact O-N 3.33Å; F208-Y212 WeakPolarHBondContact O-CD2 3.29Å; F208-Y212 VanDerWaalsContact O-CE2 3.32Å; F208-Y212 WeakPolarHBondContact O-CE2 3.4Å |
| 209 | L | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -72 | -24.2 | -174.7 | -60.9 | -175.1 | 0 | 0 | 0 | 113 | Y123 D127 I129 I149 L207 G211 Y212 L214 L251 | Y123-L209 HydrophobicContact CG-CD1 4.17Å; D127-L209 HydrophobicContact CB-CD1 4.33Å; D127-L209 WeakPolarHBondContact O-CB 3.5Å; D127-L209 PolarHBondContact O-N 3.03Å; I129-L209 HydrophobicContact CD1-CD2 3.97Å; I129-L209 HydrophobicContact CG1-CD1 4.19Å; I129-L209 HydrophobicContact CG1-CD2 4.05Å; I129-L209 HydrophobicContact CG1-CG 4.22Å; I149-L209 HydrophobicContact CD1-CD2 3.61Å; L207-L209 PolarHBondContact O-N 3.05Å; L209-G211 PolarHBondContact O-N 3.18Å; L209-G211 VanDerWaalsContact O-N 3.09Å; L209-Y212 PolarHBondContact O-N 3Å; L209-Y212 VanDerWaalsContact O-N 3.11Å; L209-L214 HydrophobicContact CB-CD1 3.78Å; L209-L214 HydrophobicContact CD2-CD1 4.02Å; L209-L214 HydrophobicContact CG-CD1 4.35Å; L209-L251 HydrophobicContact CD1-CD2 3.9Å |
| 210 | S | 90.3 | Very high | 91.6 | Very high | 76 Ų | 76 | 64 Ų | 64 | 53% | 0.531 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -62.2 | -13.1 | 178.3 | 51.9 | 0 | 0 | 0 | 0 | 115.4 | F208 | F208-S210 VanDerWaalsContact C-N 3.29Å; F208-S210 PolarHBondContact O-N 3.33Å |
| 211 | G | 86.5 | Confident | 91.7 | Very high | 67 Ų | 67 | 61.8 Ų | 61.8 | 69% | 0.691 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -90.7 | -2.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115 | L209 | L209-G211 PolarHBondContact O-N 3.18Å; L209-G211 VanDerWaalsContact O-N 3.09Å |
| 212 | Y | 91.4 | Very high | 91.5 | Very high | 76 Ų | 76 | 60 Ų | 60 | 30% | 0.298 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -119.8 | 146.6 | -174.2 | -59.3 | -79.3 | 0 | 0 | 0 | 111.5 | V187 A188 F208 L209 L214 | V187-Y212 HydrophobicContact CG1-CD1 4.41Å; V187-Y212 VanDerWaalsContact O-CD1 3.29Å; V187-Y212 WeakPolarHBondContact O-CD1 3.48Å; A188-Y212 HydrophobicContact CB-CD1 3.92Å; A188-Y212 HydrophobicContact CB-CD2 4.49Å; A188-Y212 HydrophobicContact CB-CE1 3.4Å; A188-Y212 HydrophobicContact CB-CE2 4.03Å; A188-Y212 HydrophobicContact CB-CG 4.44Å; A188-Y212 VanDerWaalsContact CB-CZ 3.46Å; F208-Y212 WeakPolarHBondContact O-CD2 3.29Å; F208-Y212 VanDerWaalsContact O-CE2 3.32Å; F208-Y212 WeakPolarHBondContact O-CE2 3.4Å; L209-Y212 PolarHBondContact O-N 3Å; L209-Y212 VanDerWaalsContact O-N 3.11Å; Y212-L214 PolarHBondContact O-N 3.4Å |
| 213 | D | 88.8 | Confident | 90.8 | Very high | 159 Ų | 159 | 64 Ų | 64 | 85% | 0.85 | 33% | 0.327 | S | S | * | . | trans | -81 | 86.5 | 179.7 | -158 | 3.1 | 0 | 0 | 0 | 110.5 | ||||
| 214 | L | 93.7 | Very high | 90.2 | Very high | 11 Ų | 11 | 63.6 Ų | 63.6 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | trans | -110.1 | 137.2 | -169 | -65.1 | 169.6 | 0 | 0 | 0 | 112.2 | L125 V187 L209 Y212 Y229 L251 | L125-L214 HydrophobicContact CD2-CB 4.05Å; V187-L214 HydrophobicContact CB-CD2 4.5Å; V187-L214 HydrophobicContact CG1-CD2 3.8Å; L209-L214 HydrophobicContact CB-CD1 3.78Å; L209-L214 HydrophobicContact CD2-CD1 4.02Å; L209-L214 HydrophobicContact CG-CD1 4.35Å; Y212-L214 PolarHBondContact O-N 3.4Å; L214-Y229 HydrophobicContact CD2-CD1 4.15Å; L214-Y229 HydrophobicContact CD2-CE1 3.6Å; L214-L251 HydrophobicContact CB-CD1 4.08Å; L214-L251 HydrophobicContact CD1-CD1 4.04Å; L214-L251 HydrophobicContact CD2-CD1 3.77Å; L214-L251 HydrophobicContact CG-CD1 4.18Å | ||
| 215 | T | 94.2 | Very high | 90 | Very high | 25 Ų | 25 | 59 Ų | 59 | 15% | 0.153 | 29% | 0.292 | C | S | . | . | trans | -100.7 | 163.1 | 168.1 | 73.3 | 0 | 0 | 0 | 0 | 110.5 | Y59 L125 Y229 L251 | Y59-T215 HydrophobicContact CD2-CG2 4.02Å; Y59-T215 HydrophobicContact CE2-CG2 4Å; L125-T215 VanDerWaalsContact CD2-C 3.47Å; L125-T215 WeakPolarHBondContact CD2-O 3.08Å; T215-Y229 PolarHBondContact N-OH 3.35Å; T215-Y229 WeakPolarHBondContact O-CE2 3.48Å; T215-Y229 PolarHBondContact O-OH 3.41Å; T215-Y229 PolarHBondContact OG1-OH 2.91Å; T215-L251 WeakPolarHBondContact O-CB 3.39Å | ||
| 216 | P | 95.2 | Very high | 89.9 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | trans | -56.5 | 156.3 | 163.9 | -24.8 | 36.3 | 0 | 0 | 0 | 111.9 | E57 L125 M218 L251 R253 | E57-P216 WeakPolarHBondContact OE1-CD 3.46Å; E57-P216 WeakPolarHBondContact OE1-CG 3.48Å; L125-P216 HydrophobicContact CD1-CG 4.28Å; P216-M218 PolarHBondContact O-N 3Å; P216-L251 CarbonylContact C-O 3.53Å; P216-L251 VanDerWaalsContact CA-O 3.29Å; P216-L251 WeakPolarHBondContact CA-O 3.23Å; P216-R253 HydrophobicContact CG-CB 4.13Å | ||
| 217 | T | 95.2 | Very high | 90 | Very high | 22 Ų | 22 | 52.4 Ų | 52.4 | 14% | 0.135 | 27% | 0.27 | C | S | . | . | trans | -68.6 | 111 | 168.4 | -68.3 | 0 | 0 | 0 | 0 | 109 | R219 V227 R228 I249 L251 | T217-R219 HydrophobicContact CG2-CG 4.15Å; T217-V227 CarbonylContact C-O 3.56Å; T217-V227 WeakPolarHBondContact CA-O 3.26Å; T217-R228 HydrophobicContact CG2-CG 4.25Å; T217-I249 PolarHBondContact OG1-O 3.49Å; T217-L251 PolarHBondContact N-O 2.83Å; T217-L251 PolarHBondContact OG1-N 2.83Å | ||
| 218 | M | 93.7 | Very high | 90.2 | Very high | 10 Ų | 10 | 56.5 Ų | 56.5 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 119.4 | -178.7 | -68.4 | 172.5 | -175.3 | 0 | 0 | 109.5 | E57 Y59 P216 I221 F225 S226 V227 | E57-M218 HydrophobicContact CB-CE 3.99Å; E57-M218 HydrophobicContact CG-CE 4.05Å; Y59-M218 HydrophobicContact CD1-SD 4.5Å; Y59-M218 HydrophobicContact CD2-CE 3.84Å; Y59-M218 HydrophobicContact CD2-SD 3.8Å; Y59-M218 HydrophobicContact CG-CE 4.14Å; Y59-M218 HydrophobicContact CG-SD 3.81Å; P216-M218 PolarHBondContact O-N 3Å; M218-I221 HydrophobicContact CB-CD1 3.89Å; M218-I221 HydrophobicContact CB-CG1 3.68Å; M218-I221 HydrophobicContact CG-CD1 4.32Å; M218-I221 HydrophobicContact CG-CG1 4.34Å; M218-F225 HydrophobicContact SD-CE2 4Å; M218-F225 HydrophobicContact SD-CZ 4.44Å; M218-S226 CarbonylContact O-C 3.57Å; M218-S226 VanDerWaalsContact O-CA 3.23Å; M218-S226 WeakPolarHBondContact O-CA 3.45Å; M218-S226 WeakPolarHBondContact O-CB 3.47Å; M218-V227 HydrophobicContact CB-CB 4Å; M218-V227 HydrophobicContact CB-CG2 4.12Å; M218-V227 HydrophobicContact CG-CB 4.49Å; M218-V227 PolarHBondContact N-O 2.76Å; M218-V227 PolarHBondContact O-N 3.46Å; M218-V227 HydrophobicContact SD-CB 4.42Å; M218-V227 HydrophobicContact SD-CG2 3.93Å |
| 219 | R | 89.6 | Confident | 90.3 | Very high | 140 Ų | 140 | 50.9 Ų | 50.9 | 53% | 0.528 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.5 | -179.8 | -66 | -173.8 | 175.3 | -162 | -0.7 | 111.1 | T217 I221 E248 | T217-R219 HydrophobicContact CG2-CG 4.15Å; R219-I221 PolarHBondContact O-N 2.9Å; R219-I221 VanDerWaalsContact O-N 3.13Å; R219-E248 IonicContact CZ-OE1 2.67Å; R219-E248 IonicContact CZ-OE2 3.22Å; R219-E248 IonicContact NE-OE1 3.54Å; R219-E248 IonicContact NH2-OE1 3.71Å; R219-E248 PolarHBondContact NH2-OE1 2.77Å; R219-E248 IonicContact NH2-OE2 3.52Å; R219-E248 PolarHBondContact NH2-OE2 2.79Å |
| 220 | E | 85.3 | Confident | 90.4 | Very high | 131 Ų | 131 | 51.5 Ų | 51.5 | 61% | 0.612 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 44.4 | 44.4 | 175.7 | -61.4 | -174 | -159.6 | 0 | 0 | 114.2 | H222 K223 F225 S226 | E220-H222 PolarHBondContact O-N 3.47Å; E220-K223 PolarHBondContact O-N 2.91Å; E220-F225 CarbonylContact C-O 3.59Å; E220-F225 WeakPolarHBondContact CA-O 3.49Å; E220-F225 PolarHBondContact N-O 3.42Å; E220-S226 PolarHBondContact N-OG 2.96Å |
| 221 | I | 88.1 | Confident | 90.6 | Very high | 17 Ų | 17 | 47.9 Ų | 47.9 | 9% | 0.087 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 108.8 | -177.8 | -56.5 | -58.7 | 0 | 0 | 0 | 109.3 | I14 Y56 L66 M218 R219 K223 R224 F225 | I14-I221 HydrophobicContact CD1-CG2 4.17Å; Y56-I221 HydrophobicContact CD1-CD1 4.07Å; Y56-I221 HydrophobicContact CD1-CG2 4.02Å; Y56-I221 HydrophobicContact CD2-CG2 3.98Å; Y56-I221 HydrophobicContact CE1-CG2 4.44Å; Y56-I221 HydrophobicContact CE2-CG2 4.39Å; Y56-I221 HydrophobicContact CG-CG2 3.78Å; L66-I221 HydrophobicContact CD1-CG2 3.49Å; L66-I221 VanDerWaalsContact CD1-CG2 3.49Å; M218-I221 HydrophobicContact CB-CD1 3.89Å; M218-I221 HydrophobicContact CB-CG1 3.68Å; M218-I221 HydrophobicContact CG-CD1 4.32Å; M218-I221 HydrophobicContact CG-CG1 4.34Å; R219-I221 PolarHBondContact O-N 2.9Å; R219-I221 VanDerWaalsContact O-N 3.13Å; I221-K223 PolarHBondContact O-N 2.65Å; I221-R224 PolarHBondContact O-N 3.41Å; I221-F225 HydrophobicContact CB-CD1 3.93Å; I221-F225 HydrophobicContact CB-CE1 3.64Å; I221-F225 HydrophobicContact CB-CE2 4.27Å; I221-F225 HydrophobicContact CB-CG 4.37Å; I221-F225 HydrophobicContact CB-CZ 3.82Å; I221-F225 HydrophobicContact CG1-CE1 4.33Å; I221-F225 HydrophobicContact CG1-CE2 4.1Å; I221-F225 HydrophobicContact CG1-CZ 3.99Å; I221-F225 HydrophobicContact CG2-CD1 4.19Å; I221-F225 HydrophobicContact CG2-CE1 3.48Å; I221-F225 VanDerWaalsContact CG2-CE1 3.48Å; I221-F225 HydrophobicContact CG2-CZ 3.74Å; I221-F225 PolarHBondContact N-O 3.12Å; I221-F225 PolarHBondContact O-N 3.33Å |
| 222 | H | 84.8 | Confident | 91 | Very high | 48 Ų | 48 | 45.6 Ų | 45.6 | 22% | 0.222 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 43.2 | 32 | -168.1 | -144 | 92.2 | 0 | 0 | 0 | 114.7 | I14 M24 Y56 E220 R224 | I14-H222 HydrophobicContact CD1-CB 3.81Å; M24-H222 HydrophobicContact CE-CB 3.91Å; M24-H222 WeakPolarHBondContact CE-CD2 3.41Å; Y56-H222 HydrophobicContact CE2-CB 4.09Å; Y56-H222 AromaticContact CE2-ND1 3.96Å; Y56-H222 PolarHBondContact OH-ND1 3.45Å; E220-H222 PolarHBondContact O-N 3.47Å; H222-R224 PolarHBondContact O-N 3.44Å; H222-R224 VanDerWaalsContact O-N 3.08Å |
| 223 | K | 77.7 | Confident | 91.1 | Very high | 129 Ų | 129 | 42 Ų | 42 | 56% | 0.561 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 16.9 | -173.3 | -57 | 178.2 | -178.5 | 177 | 0 | 115.2 | E220 I221 H1354 | E220-K223 PolarHBondContact O-N 2.91Å; I221-K223 PolarHBondContact O-N 2.65Å; K223-H1354 WeakPolarHBondContact CE-NE2 3.43Å |
| 224 | R | 80.5 | Confident | 91.2 | Very high | 32 Ų | 32 | 35 Ų | 35 | 12% | 0.121 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -43.3 | 176.3 | -75.3 | -72.9 | -168.8 | 149.2 | 2.7 | 112.1 | I14 N22 M24 I155 G156 I221 H222 | I14-R224 HydrophobicContact CD1-CB 4.32Å; I14-R224 HydrophobicContact CD1-CG 4.47Å; I14-R224 HydrophobicContact CG2-CB 4.23Å; I14-R224 HydrophobicContact CG2-CG 4.44Å; N22-R224 VanDerWaalsContact CG-NH1 3.33Å; N22-R224 PolarHBondContact ND2-NH1 3.46Å; N22-R224 PolarHBondContact OD1-NH1 3.16Å; N22-R224 PolarHBondContact OD1-NH2 3Å; M24-R224 HydrophobicContact CE-CG 4.34Å; M24-R224 HydrophobicContact SD-CG 3.93Å; M24-R224 PolarHBondContact SD-NE 3.11Å; M24-R224 VanDerWaalsContact SD-NE 3.4Å; I155-R224 WeakPolarHBondContact CA-O 3.4Å; I155-R224 WeakPolarHBondContact CG2-O 3.41Å; G156-R224 PolarHBondContact N-O 2.95Å; I221-R224 PolarHBondContact O-N 3.41Å; H222-R224 PolarHBondContact O-N 3.44Å; H222-R224 VanDerWaalsContact O-N 3.08Å |
| 225 | F | 89 | Confident | 91 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 174.2 | -177.6 | 76.3 | -83.6 | 0 | 0 | 0 | 115 | I14 Y59 V64 L66 T154 I155 M218 E220 I221 V227 | I14-F225 HydrophobicContact CD1-CD1 4.42Å; I14-F225 HydrophobicContact CD1-CE1 4.08Å; I14-F225 HydrophobicContact CG1-CE1 4.29Å; I14-F225 HydrophobicContact CG2-CD1 4.33Å; I14-F225 HydrophobicContact CG2-CE1 4.39Å; Y59-F225 HydrophobicContact CD1-CD2 4.33Å; Y59-F225 AromaticContact CD1-CE2 3.54Å; Y59-F225 HydrophobicContact CD1-CE2 3.54Å; Y59-F225 HydrophobicContact CD1-CZ 4Å; Y59-F225 HydrophobicContact CE1-CD2 4.49Å; Y59-F225 HydrophobicContact CE1-CE2 4.08Å; Y59-F225 HydrophobicContact CG-CE2 4.15Å; Y59-F225 HydrophobicContact CG-CZ 4.45Å; V64-F225 HydrophobicContact CB-CG 4.46Å; V64-F225 HydrophobicContact CG1-CB 3.96Å; V64-F225 HydrophobicContact CG1-CD1 4.17Å; V64-F225 HydrophobicContact CG1-CD2 3.7Å; V64-F225 HydrophobicContact CG1-CE2 4.19Å; V64-F225 HydrophobicContact CG1-CG 3.7Å; V64-F225 HydrophobicContact CG2-CB 4.38Å; V64-F225 HydrophobicContact CG2-CD1 3.69Å; V64-F225 HydrophobicContact CG2-CE1 4.06Å; V64-F225 HydrophobicContact CG2-CG 4.04Å; L66-F225 HydrophobicContact CB-CE1 4.34Å; L66-F225 HydrophobicContact CB-CZ 4.18Å; L66-F225 HydrophobicContact CD1-CE1 4.02Å; L66-F225 HydrophobicContact CD1-CZ 4.06Å; T154-F225 CarbonylContact O-C 3.44Å; T154-F225 WeakPolarHBondContact O-CA 3.38Å; T154-F225 WeakPolarHBondContact O-CB 3.49Å; I155-F225 HydrophobicContact CG1-CB 3.94Å; M218-F225 HydrophobicContact SD-CE2 4Å; M218-F225 HydrophobicContact SD-CZ 4.44Å; E220-F225 CarbonylContact C-O 3.59Å; E220-F225 WeakPolarHBondContact CA-O 3.49Å; E220-F225 PolarHBondContact N-O 3.42Å; I221-F225 HydrophobicContact CB-CD1 3.93Å; I221-F225 HydrophobicContact CB-CE1 3.64Å; I221-F225 HydrophobicContact CB-CE2 4.27Å; I221-F225 HydrophobicContact CB-CG 4.37Å; I221-F225 HydrophobicContact CB-CZ 3.82Å; I221-F225 HydrophobicContact CG1-CE1 4.33Å; I221-F225 HydrophobicContact CG1-CE2 4.1Å; I221-F225 HydrophobicContact CG1-CZ 3.99Å; I221-F225 HydrophobicContact CG2-CD1 4.19Å; I221-F225 HydrophobicContact CG2-CE1 3.48Å; I221-F225 VanDerWaalsContact CG2-CE1 3.48Å; I221-F225 HydrophobicContact CG2-CZ 3.74Å; I221-F225 PolarHBondContact N-O 3.12Å; I221-F225 PolarHBondContact O-N 3.33Å; F225-V227 HydrophobicContact CD2-CG2 4.05Å; F225-V227 HydrophobicContact CE2-CG2 3.97Å |
| 226 | S | 92.4 | Very high | 90.8 | Very high | 20 Ų | 20 | 33.7 Ų | 33.7 | 14% | 0.14 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 152.3 | 171.3 | -64.2 | 0 | 0 | 0 | 0 | 110.5 | E153 T154 M218 E220 | E153-S226 CarbonylContact C-O 3.49Å; E153-S226 WeakPolarHBondContact CA-O 3.47Å; T154-S226 PolarHBondContact N-O 3.49Å; T154-S226 PolarHBondContact O-N 2.89Å; M218-S226 CarbonylContact O-C 3.57Å; M218-S226 VanDerWaalsContact O-CA 3.23Å; M218-S226 WeakPolarHBondContact O-CA 3.45Å; M218-S226 WeakPolarHBondContact O-CB 3.47Å; E220-S226 PolarHBondContact N-OG 2.96Å |
| 227 | V | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 110.2 | 173.6 | -170.1 | 0 | 0 | 0 | 0 | 107 | Y59 K151 R152 T217 M218 F225 Y229 | Y59-V227 HydrophobicContact CD1-CG2 4.19Å; Y59-V227 HydrophobicContact CD2-CG2 4.32Å; Y59-V227 HydrophobicContact CE1-CG2 3.61Å; Y59-V227 HydrophobicContact CE2-CG1 4.29Å; Y59-V227 HydrophobicContact CE2-CG2 3.79Å; Y59-V227 VanDerWaalsContact CZ-CG2 3.42Å; K151-V227 HydrophobicContact CD-CG1 4.29Å; K151-V227 HydrophobicContact CG-CG1 3.84Å; R152-V227 WeakPolarHBondContact O-CA 3.37Å; T217-V227 CarbonylContact C-O 3.56Å; T217-V227 WeakPolarHBondContact CA-O 3.26Å; M218-V227 HydrophobicContact CB-CB 4Å; M218-V227 HydrophobicContact CB-CG2 4.12Å; M218-V227 HydrophobicContact CG-CB 4.49Å; M218-V227 PolarHBondContact N-O 2.76Å; M218-V227 PolarHBondContact O-N 3.46Å; M218-V227 HydrophobicContact SD-CB 4.42Å; M218-V227 HydrophobicContact SD-CG2 3.93Å; F225-V227 HydrophobicContact CD2-CG2 4.05Å; F225-V227 HydrophobicContact CE2-CG2 3.97Å; V227-Y229 HydrophobicContact CG1-CE2 4.07Å |
| 228 | R | 95.3 | Very high | 90.1 | Very high | 89 Ų | 89 | 37.9 Ų | 37.9 | 34% | 0.336 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 142.4 | -175.1 | -68.3 | 171.4 | 67.3 | -163.4 | 1 | 110.8 | K151 R152 T217 F230 E248 | K151-R228 CarbonylContact C-O 3.35Å; K151-R228 WeakPolarHBondContact CA-O 3.34Å; R152-R228 PolarHBondContact N-O 3.28Å; R152-R228 PolarHBondContact O-N 3.36Å; T217-R228 HydrophobicContact CG2-CG 4.25Å; R228-F230 HydrophobicContact CB-CE2 3.72Å; R228-F230 HydrophobicContact CB-CZ 4.15Å; R228-E248 WeakPolarHBondContact CG-OE1 3.48Å; R228-E248 IonicContact CZ-OE1 3.21Å; R228-E248 IonicContact CZ-OE2 3.02Å; R228-E248 VanDerWaalsContact NE-CD 3.29Å; R228-E248 IonicContact NE-OE1 2.77Å; R228-E248 PolarHBondContact NE-OE1 3.2Å; R228-E248 IonicContact NE-OE2 2.74Å; R228-E248 PolarHBondContact NE-OE2 3.46Å; R228-E248 VanDerWaalsContact NH2-CD 3.32Å; R228-E248 IonicContact NH2-OE1 2.79Å; R228-E248 IonicContact NH2-OE2 3.8Å; R228-E248 PolarHBondContact NH2-OE2 2.97Å |
| 229 | Y | 96.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 138.5 | -177.5 | -67.8 | -92.8 | 0 | 0 | 0 | 110.6 | I149 I150 K151 V187 L214 T215 V227 E248 I249 L251 | I149-Y229 HydrophobicContact CG2-CD1 4.19Å; I150-Y229 CarbonylContact O-C 3.5Å; I150-Y229 WeakPolarHBondContact O-CA 3.27Å; K151-Y229 HydrophobicContact CB-CD1 3.98Å; K151-Y229 HydrophobicContact CB-CE1 3.69Å; K151-Y229 HydrophobicContact CD-CE1 4.14Å; K151-Y229 HydrophobicContact CG-CE1 3.95Å; V187-Y229 HydrophobicContact CG2-CE1 4.42Å; L214-Y229 HydrophobicContact CD2-CD1 4.15Å; L214-Y229 HydrophobicContact CD2-CE1 3.6Å; T215-Y229 PolarHBondContact N-OH 3.35Å; T215-Y229 WeakPolarHBondContact O-CE2 3.48Å; T215-Y229 PolarHBondContact O-OH 3.41Å; T215-Y229 PolarHBondContact OG1-OH 2.91Å; V227-Y229 HydrophobicContact CG1-CE2 4.07Å; Y229-E248 WeakPolarHBondContact O-CA 3.48Å; Y229-E248 VanDerWaalsContact O-CG 3.25Å; Y229-E248 WeakPolarHBondContact O-CG 3.42Å; Y229-I249 PolarHBondContact O-N 2.94Å; Y229-I249 VanDerWaalsContact O-O 3.13Å; Y229-L251 HydrophobicContact CD1-CD1 3.61Å; Y229-L251 HydrophobicContact CD1-CG 4.46Å; Y229-L251 HydrophobicContact CD2-CB 4.15Å; Y229-L251 HydrophobicContact CD2-CD1 3.68Å; Y229-L251 HydrophobicContact CD2-CG 3.89Å; Y229-L251 HydrophobicContact CE1-CD1 3.85Å; Y229-L251 HydrophobicContact CE2-CB 4.46Å; Y229-L251 HydrophobicContact CE2-CD1 3.93Å; Y229-L251 HydrophobicContact CE2-CG 4.47Å; Y229-L251 HydrophobicContact CG-CD1 3.51Å; Y229-L251 HydrophobicContact CG-CG 3.89Å |
| 230 | F | 95.7 | Very high | 89.8 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 6% | 0.057 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 133 | -177.6 | -62.3 | -95.4 | 0 | 0 | 0 | 110.4 | I149 I150 R152 R228 Q246 Q247 E248 | I149-F230 WeakPolarHBondContact CA-O 3.28Å; I150-F230 PolarHBondContact N-O 3.05Å; I150-F230 PolarHBondContact O-N 3.07Å; R152-F230 HydrophobicContact CB-CD2 4.35Å; R152-F230 HydrophobicContact CB-CE2 3.91Å; R228-F230 HydrophobicContact CB-CE2 3.72Å; R228-F230 HydrophobicContact CB-CZ 4.15Å; F230-Q246 HydrophobicContact CD1-CG 4.47Å; F230-Q247 CarbonylContact C-O 3.16Å; F230-Q247 VanDerWaalsContact CA-O 3.3Å; F230-Q247 WeakPolarHBondContact CA-O 3.4Å; F230-E248 HydrophobicContact CD1-CB 3.9Å; F230-E248 HydrophobicContact CD1-CG 4.29Å; F230-E248 HydrophobicContact CE1-CB 3.77Å; F230-E248 HydrophobicContact CE1-CG 4.03Å; F230-E248 HydrophobicContact CZ-CG 4.28Å |
| 231 | L | 94.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 122.2 | 156.6 | -77 | 166.3 | 0 | 0 | 0 | 107.3 | M104 F116 Y118 I129 I147 I149 L207 Q246 Q247 I249 | M104-L231 HydrophobicContact CE-CB 3.78Å; F116-L231 HydrophobicContact CE1-CD1 4.21Å; Y118-L231 HydrophobicContact CD1-CD1 4.15Å; Y118-L231 HydrophobicContact CD2-CD1 3.78Å; Y118-L231 HydrophobicContact CE1-CD1 4.03Å; Y118-L231 HydrophobicContact CE2-CD1 3.64Å; Y118-L231 HydrophobicContact CG-CD1 4.03Å; I129-L231 HydrophobicContact CD1-CD1 4.31Å; I129-L231 HydrophobicContact CD1-CD2 3.93Å; I129-L231 HydrophobicContact CD1-CG 4.33Å; I129-L231 HydrophobicContact CG2-CD1 4.2Å; I147-L231 HydrophobicContact CG2-CD2 3.76Å; I149-L231 HydrophobicContact CG1-CD2 4.18Å; L207-L231 HydrophobicContact CD1-CD2 3.95Å; L231-Q246 CarbonylContact O-C 3.51Å; L231-Q246 WeakPolarHBondContact O-CA 3.33Å; L231-Q247 PolarHBondContact N-O 2.91Å; L231-Q247 PolarHBondContact O-N 3.07Å; L231-I249 HydrophobicContact CD1-CG2 3.68Å; L231-I249 HydrophobicContact CG-CD1 4.28Å; L231-I249 HydrophobicContact CG-CG2 3.94Å |
| 232 | N | 94.2 | Very high | 90 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 10% | 0.096 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 103.2 | 178.7 | -178.5 | 72.3 | 0 | 0 | 0 | 109.2 | A148 I150 V234 K245 Q246 | A148-N232 PolarHBondContact N-O 3.18Å; A148-N232 PolarHBondContact O-N 2.96Å; I150-N232 HydrophobicContact CD1-CB 3.63Å; I150-N232 HydrophobicContact CG1-CB 4.12Å; N232-V234 WeakPolarHBondContact ND2-CG2 3.38Å; N232-K245 CarbonylContact C-O 3.42Å; N232-K245 WeakPolarHBondContact CA-O 3.38Å; N232-Q246 HydrophobicContact CB-CB 4.38Å |
| 233 | L | 92.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 131.7 | 171.5 | 172 | 61.1 | 0 | 0 | 0 | 109 | M104 V106 F116 M145 I147 F244 K245 | M104-L233 HydrophobicContact SD-CB 3.74Å; V106-L233 HydrophobicContact CG2-CD2 3.93Å; F116-L233 HydrophobicContact CB-CD2 4.16Å; M145-L233 HydrophobicContact CE-CD1 3.45Å; M145-L233 VanDerWaalsContact CE-CD1 3.45Å; M145-L233 HydrophobicContact CE-CD2 4.27Å; M145-L233 HydrophobicContact CE-CG 4.44Å; M145-L233 HydrophobicContact CG-CD1 4.2Å; I147-L233 HydrophobicContact CG1-CB 4.4Å; I147-L233 HydrophobicContact CG1-CD1 3.88Å; L233-F244 CarbonylContact O-C 3.57Å; L233-F244 WeakPolarHBondContact O-CA 3.34Å; L233-K245 PolarHBondContact N-O 3.48Å; L233-K245 PolarHBondContact O-N 3.17Å |
| 234 | V | 90.9 | Very high | 90.7 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 7% | 0.073 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 138.5 | 176.5 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | M145 E146 N232 Y243 F244 | M145-V234 WeakPolarHBondContact CA-O 3.23Å; E146-V234 HydrophobicContact CG-CB 3.81Å; E146-V234 HydrophobicContact CG-CG2 4.35Å; E146-V234 PolarHBondContact N-O 3.06Å; E146-V234 PolarHBondContact O-N 3.48Å; N232-V234 WeakPolarHBondContact ND2-CG2 3.38Å; V234-Y243 WeakPolarHBondContact CA-O 3.42Å; V234-F244 HydrophobicContact CG2-CB 4.26Å |
| 235 | L | 89.8 | Confident | 91.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 140.3 | 177.4 | -71.2 | 147 | 0 | 0 | 0 | 108.6 | V106 I114 I142 M145 R242 Y243 | V106-L235 HydrophobicContact CB-CD1 3.97Å; V106-L235 HydrophobicContact CG1-CD1 3.78Å; V106-L235 HydrophobicContact CG2-CD1 4.01Å; I114-L235 HydrophobicContact CD1-CD1 4.01Å; I114-L235 HydrophobicContact CD1-CD2 3.56Å; I114-L235 HydrophobicContact CD1-CG 4.46Å; I142-L235 HydrophobicContact CD1-CB 4.43Å; I142-L235 HydrophobicContact CD1-CD2 3.92Å; I142-L235 HydrophobicContact CG1-CD2 4.09Å; I142-L235 HydrophobicContact CG2-CD2 3.99Å; M145-L235 HydrophobicContact CB-CD2 4.05Å; M145-L235 HydrophobicContact CE-CD2 4Å; M145-L235 HydrophobicContact CG-CD2 3.57Å; M145-L235 HydrophobicContact CG-CG 4.21Å; M145-L235 HydrophobicContact SD-CD2 3.78Å; L235-R242 WeakPolarHBondContact O-CA 3.22Å; L235-Y243 HydrophobicContact CB-CD2 4.43Å; L235-Y243 PolarHBondContact N-O 3.23Å; L235-Y243 PolarHBondContact O-N 3Å |
| 236 | V | 90.3 | Very high | 91.3 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 6% | 0.061 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134.3 | 171.5 | -169.5 | 0 | 0 | 0 | 0 | 108.2 | K143 F144 R241 R242 | K143-V236 PolarHBondContact N-O 3.31Å; F144-V236 HydrophobicContact CB-CB 4.36Å; F144-V236 HydrophobicContact CD1-CG2 4.04Å; F144-V236 PolarHBondContact N-O 2.91Å; F144-V236 VanDerWaalsContact N-O 3.14Å; F144-V236 PolarHBondContact O-N 3.43Å; V236-R241 WeakPolarHBondContact CA-O 3.23Å; V236-R242 HydrophobicContact CG2-CG 4.04Å |
| 237 | D | 89.3 | Confident | 91.3 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 178.3 | 176.1 | 65.1 | 14.3 | 0 | 0 | 0 | 113.3 | I140 K141 K143 E239 E240 R241 Y243 | I140-D237 HydrophobicContact CG2-CB 3.63Å; K141-D237 VanDerWaalsContact O-CA 3.3Å; K141-D237 WeakPolarHBondContact O-CA 3.45Å; K141-D237 VanDerWaalsContact O-CB 3.24Å; K141-D237 WeakPolarHBondContact O-CB 3.24Å; K143-D237 WeakPolarHBondContact CB-O 3.45Å; D237-E239 PolarHBondContact O-N 3.46Å; D237-E239 VanDerWaalsContact O-N 3.11Å; D237-E239 VanDerWaalsContact OD1-C 3.32Å; D237-E239 WeakPolarHBondContact OD1-CA 3.46Å; D237-E239 WeakPolarHBondContact OD1-CB 3.48Å; D237-E239 PolarHBondContact OD1-N 3.39Å; D237-E240 PolarHBondContact O-N 3.49Å; D237-E240 PolarHBondContact OD1-N 2.88Å; D237-R241 PolarHBondContact N-O 3.33Å; D237-R241 WeakPolarHBondContact OD1-CB 3.36Å; D237-R241 PolarHBondContact OD1-N 3.24Å; D237-R241 IonicContact OD1-NE 2.74Å; D237-R241 IonicContact OD2-CZ 3.79Å; D237-R241 IonicContact OD2-NE 3.74Å; D237-R241 PolarHBondContact OD2-NE 2.87Å; D237-R241 IonicContact OD2-NH2 2.72Å; D237-R241 PolarHBondContact OD2-NH2 2.76Å; D237-Y243 HydrophobicContact CB-CE2 4.45Å; D237-Y243 PolarHBondContact OD2-OH 2.82Å |
| 238 | E | 87.4 | Confident | 91.3 | Very high | 121 Ų | 121 | 59.4 Ų | 59.4 | 57% | 0.565 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -12.4 | 174.4 | -73.2 | -170.3 | 167.9 | 0 | 0 | 113.5 | K141 | K141-E238 HydrophobicContact CB-CG 4.1Å; K141-E238 HydrophobicContact CD-CG 4.15Å; K141-E238 WeakPolarHBondContact CD-OE1 3.45Å; K141-E238 WeakPolarHBondContact CD-OE2 3.39Å; K141-E238 IonicContact NZ-OE1 3.65Å; K141-E238 PolarHBondContact NZ-OE1 2.96Å; K141-E238 IonicContact NZ-OE2 2.73Å; K141-E238 PolarHBondContact NZ-OE2 2.84Å; K141-E238 PolarHBondContact O-N 2.94Å |
| 239 | E | 88.5 | Confident | 91.2 | Very high | 131 Ų | 131 | 55.2 Ų | 55.2 | 61% | 0.612 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 13.2 | 179 | -63 | 176.2 | -113.9 | 0 | 0 | 112.8 | D237 R241 | D237-E239 PolarHBondContact O-N 3.46Å; D237-E239 VanDerWaalsContact O-N 3.11Å; D237-E239 VanDerWaalsContact OD1-C 3.32Å; D237-E239 WeakPolarHBondContact OD1-CA 3.46Å; D237-E239 WeakPolarHBondContact OD1-CB 3.48Å; D237-E239 PolarHBondContact OD1-N 3.39Å; E239-R241 HydrophobicContact CB-CG 4.21Å; E239-R241 VanDerWaalsContact CD-NH2 3.27Å; E239-R241 PolarHBondContact O-N 2.95Å; E239-R241 VanDerWaalsContact O-N 3.16Å; E239-R241 IonicContact OE1-CZ 2.7Å; E239-R241 IonicContact OE1-NH1 2.71Å; E239-R241 PolarHBondContact OE1-NH1 3.29Å; E239-R241 VanDerWaalsContact OE1-NH1 3.08Å; E239-R241 IonicContact OE1-NH2 3.34Å; E239-R241 PolarHBondContact OE1-NH2 2.98Å; E239-R241 IonicContact OE2-CZ 3.37Å; E239-R241 IonicContact OE2-NH1 2.68Å; E239-R241 PolarHBondContact OE2-NH1 3.1Å; E239-R241 IonicContact OE2-NH2 3.09Å |
| 240 | E | 88.8 | Confident | 91 | Very high | 116 Ų | 116 | 56.4 Ų | 56.4 | 54% | 0.542 | 25% | 0.251 | S | S | . | . | trans | 59.4 | 15 | -175.2 | -65.3 | -69.6 | 150 | 0 | 0 | 114.7 | K143 D237 R242 | K143-E240 IonicContact NZ-OE1 3.25Å; K143-E240 PolarHBondContact NZ-OE1 2.93Å; D237-E240 PolarHBondContact O-N 3.49Å; D237-E240 PolarHBondContact OD1-N 2.88Å; E240-R242 PolarHBondContact O-N 2.76Å | ||
| 241 | R | 86 | Confident | 91 | Very high | 90 Ų | 90 | 55.9 Ų | 55.9 | 34% | 0.34 | 25% | 0.249 | S | C | . | . | trans | -75.3 | 127.2 | 177.5 | -58.8 | -174.5 | -65.3 | -122.4 | -12.5 | 109.9 | V236 D237 E239 Y243 | V236-R241 WeakPolarHBondContact CA-O 3.23Å; D237-R241 PolarHBondContact N-O 3.33Å; D237-R241 WeakPolarHBondContact OD1-CB 3.36Å; D237-R241 PolarHBondContact OD1-N 3.24Å; D237-R241 IonicContact OD1-NE 2.74Å; D237-R241 IonicContact OD2-CZ 3.79Å; D237-R241 IonicContact OD2-NE 3.74Å; D237-R241 PolarHBondContact OD2-NE 2.87Å; D237-R241 IonicContact OD2-NH2 2.72Å; D237-R241 PolarHBondContact OD2-NH2 2.76Å; E239-R241 HydrophobicContact CB-CG 4.21Å; E239-R241 VanDerWaalsContact CD-NH2 3.27Å; E239-R241 PolarHBondContact O-N 2.95Å; E239-R241 VanDerWaalsContact O-N 3.16Å; E239-R241 IonicContact OE1-CZ 2.7Å; E239-R241 IonicContact OE1-NH1 2.71Å; E239-R241 PolarHBondContact OE1-NH1 3.29Å; E239-R241 VanDerWaalsContact OE1-NH1 3.08Å; E239-R241 IonicContact OE1-NH2 3.34Å; E239-R241 PolarHBondContact OE1-NH2 2.98Å; E239-R241 IonicContact OE2-CZ 3.37Å; E239-R241 IonicContact OE2-NH1 2.68Å; E239-R241 PolarHBondContact OE2-NH1 3.1Å; E239-R241 IonicContact OE2-NH2 3.09Å; R241-Y243 HydrophobicContact CB-CE2 4.12Å; R241-Y243 PolarHBondContact NE-OH 3.42Å | ||
| 242 | R | 89.8 | Confident | 91 | Very high | 182 Ų | 182 | 56.5 Ų | 56.5 | 69% | 0.687 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 116.8 | 178.8 | -81.4 | 177.9 | 166.7 | -151.1 | -8.4 | 111.7 | L235 V236 E240 | L235-R242 WeakPolarHBondContact O-CA 3.22Å; V236-R242 HydrophobicContact CG2-CG 4.04Å; E240-R242 PolarHBondContact O-N 2.76Å |
| 243 | Y | 88.9 | Confident | 90.9 | Very high | 48 Ų | 48 | 58.4 Ų | 58.4 | 19% | 0.188 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 136.5 | 167 | -47.6 | -81.5 | 0 | 0 | 0 | 108.6 | I108 V234 L235 D237 R241 | I108-Y243 HydrophobicContact CD1-CD1 3.75Å; I108-Y243 HydrophobicContact CD1-CE1 3.34Å; I108-Y243 HydrophobicContact CD1-CE2 4.47Å; I108-Y243 HydrophobicContact CD1-CG 4.45Å; V234-Y243 WeakPolarHBondContact CA-O 3.42Å; L235-Y243 HydrophobicContact CB-CD2 4.43Å; L235-Y243 PolarHBondContact N-O 3.23Å; L235-Y243 PolarHBondContact O-N 3Å; D237-Y243 HydrophobicContact CB-CE2 4.45Å; D237-Y243 PolarHBondContact OD2-OH 2.82Å; R241-Y243 HydrophobicContact CB-CE2 4.12Å; R241-Y243 PolarHBondContact NE-OH 3.42Å |
| 244 | F | 88.4 | Confident | 90.7 | Very high | 134 Ų | 134 | 62.3 Ų | 62.3 | 59% | 0.588 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 149.8 | 180 | 66.7 | -82.9 | 0 | 0 | 0 | 112.2 | L233 V234 | L233-F244 CarbonylContact O-C 3.57Å; L233-F244 WeakPolarHBondContact O-CA 3.34Å; V234-F244 HydrophobicContact CG2-CB 4.26Å |
| 245 | K | 91.2 | Very high | 90.1 | Very high | 88 Ų | 88 | 64.5 Ų | 64.5 | 38% | 0.383 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 124.7 | 176.1 | -164.5 | 66.3 | 169.3 | -95.1 | 0 | 108.4 | M104 E105 V106 N232 L233 | M104-K245 HydrophobicContact CG-CB 4.15Å; M104-K245 HydrophobicContact CG-CG 3.6Å; M104-K245 HydrophobicContact SD-CB 3.99Å; M104-K245 HydrophobicContact SD-CG 4.06Å; E105-K245 PolarHBondContact O-NZ 3.03Å; V106-K245 HydrophobicContact CG2-CB 3.8Å; N232-K245 CarbonylContact C-O 3.42Å; N232-K245 WeakPolarHBondContact CA-O 3.38Å; L233-K245 PolarHBondContact N-O 3.48Å; L233-K245 PolarHBondContact O-N 3.17Å |
| 246 | Q | 91.9 | Very high | 89 | Confident | 72 Ų | 72 | 71.1 Ų | 71.1 | 34% | 0.336 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 131.3 | 177.5 | 74.2 | -169.5 | -67 | 0 | 0 | 110.1 | R152 F230 L231 N232 | R152-Q246 VanDerWaalsContact NH1-OE1 3.16Å; F230-Q246 HydrophobicContact CD1-CG 4.47Å; L231-Q246 CarbonylContact O-C 3.51Å; L231-Q246 WeakPolarHBondContact O-CA 3.33Å; N232-Q246 HydrophobicContact CB-CB 4.38Å |
| 247 | Q | 92.5 | Very high | 87.1 | Confident | 83 Ų | 83 | 78.5 Ų | 78.5 | 39% | 0.388 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 135 | 175.3 | -160.8 | 69.6 | 1.8 | 0 | 0 | 108.7 | M104 Y118 F230 L231 | M104-Q247 HydrophobicContact CE-CB 3.79Å; M104-Q247 HydrophobicContact CG-CB 4.46Å; M104-Q247 HydrophobicContact SD-CB 4.49Å; Y118-Q247 WeakPolarHBondContact OH-CG 3.41Å; F230-Q247 CarbonylContact C-O 3.16Å; F230-Q247 VanDerWaalsContact CA-O 3.3Å; F230-Q247 WeakPolarHBondContact CA-O 3.4Å; L231-Q247 PolarHBondContact N-O 2.91Å; L231-Q247 PolarHBondContact O-N 3.07Å |
| 248 | E | 93.8 | Very high | 85 | Confident | 40 Ų | 40 | 85.7 Ų | 85.7 | 19% | 0.187 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 139.7 | -177.9 | -165.3 | -175.8 | -178.5 | 0 | 0 | 111.7 | R219 R228 Y229 F230 | R219-E248 IonicContact CZ-OE1 2.67Å; R219-E248 IonicContact CZ-OE2 3.22Å; R219-E248 IonicContact NE-OE1 3.54Å; R219-E248 IonicContact NH2-OE1 3.71Å; R219-E248 PolarHBondContact NH2-OE1 2.77Å; R219-E248 IonicContact NH2-OE2 3.52Å; R219-E248 PolarHBondContact NH2-OE2 2.79Å; R228-E248 WeakPolarHBondContact CG-OE1 3.48Å; R228-E248 IonicContact CZ-OE1 3.21Å; R228-E248 IonicContact CZ-OE2 3.02Å; R228-E248 VanDerWaalsContact NE-CD 3.29Å; R228-E248 IonicContact NE-OE1 2.77Å; R228-E248 PolarHBondContact NE-OE1 3.2Å; R228-E248 IonicContact NE-OE2 2.74Å; R228-E248 PolarHBondContact NE-OE2 3.46Å; R228-E248 VanDerWaalsContact NH2-CD 3.32Å; R228-E248 IonicContact NH2-OE1 2.79Å; R228-E248 IonicContact NH2-OE2 3.8Å; R228-E248 PolarHBondContact NH2-OE2 2.97Å; Y229-E248 WeakPolarHBondContact O-CA 3.48Å; Y229-E248 VanDerWaalsContact O-CG 3.25Å; Y229-E248 WeakPolarHBondContact O-CG 3.42Å; F230-E248 HydrophobicContact CD1-CB 3.9Å; F230-E248 HydrophobicContact CD1-CG 4.29Å; F230-E248 HydrophobicContact CE1-CB 3.77Å; F230-E248 HydrophobicContact CE1-CG 4.03Å; F230-E248 HydrophobicContact CZ-CG 4.28Å |
| 249 | I | 93.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 142.6 | 167.4 | 55.5 | 169.2 | 0 | 0 | 0 | 110.4 | Y118 S121 Y123 I129 T217 Y229 L231 L251 | Y118-I249 HydrophobicContact CE2-CG2 4.09Å; S121-I249 WeakPolarHBondContact O-CA 3.47Å; Y123-I249 HydrophobicContact CD2-CB 4.5Å; Y123-I249 HydrophobicContact CD2-CG2 4.43Å; Y123-I249 HydrophobicContact CE2-CG2 4.32Å; I129-I249 HydrophobicContact CD1-CD1 3.84Å; T217-I249 PolarHBondContact OG1-O 3.49Å; Y229-I249 PolarHBondContact O-N 2.94Å; Y229-I249 VanDerWaalsContact O-O 3.13Å; L231-I249 HydrophobicContact CD1-CG2 3.68Å; L231-I249 HydrophobicContact CG-CD1 4.28Å; L231-I249 HydrophobicContact CG-CG2 3.94Å; I249-L251 HydrophobicContact CD1-CD2 4.05Å |
| 250 | T | 93.5 | Very high | 80 | Confident | 25 Ų | 25 | 89.6 Ų | 89.6 | 15% | 0.153 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 108.9 | 177.4 | -51.1 | 0 | 0 | 0 | 0 | 110 | Y95 S121 K122 Y123 | Y95-T250 HydrophobicContact CE2-CG2 4.39Å; S121-T250 PolarHBondContact O-N 2.93Å; K122-T250 CarbonylContact C-O 3.55Å; K122-T250 VanDerWaalsContact CA-O 3.24Å; K122-T250 WeakPolarHBondContact CA-O 3.42Å; Y123-T250 PolarHBondContact N-O 3.03Å |
| 251 | L | 94.6 | Very high | 77.2 | Confident | 3 Ų | 3 | 96 Ų | 96 | 2% | 0.016 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 141.2 | 173.4 | -62.1 | -167.5 | 0 | 0 | 0 | 110.7 | Y123 L125 L209 L214 T215 P216 T217 Y229 I249 | Y123-L251 WeakPolarHBondContact O-CA 3.41Å; L125-L251 HydrophobicContact CD2-CB 3.89Å; L125-L251 HydrophobicContact CD2-CD1 4.49Å; L209-L251 HydrophobicContact CD1-CD2 3.9Å; L214-L251 HydrophobicContact CB-CD1 4.08Å; L214-L251 HydrophobicContact CD1-CD1 4.04Å; L214-L251 HydrophobicContact CD2-CD1 3.77Å; L214-L251 HydrophobicContact CG-CD1 4.18Å; T215-L251 WeakPolarHBondContact O-CB 3.39Å; P216-L251 CarbonylContact C-O 3.53Å; P216-L251 VanDerWaalsContact CA-O 3.29Å; P216-L251 WeakPolarHBondContact CA-O 3.23Å; T217-L251 PolarHBondContact N-O 2.83Å; T217-L251 PolarHBondContact OG1-N 2.83Å; Y229-L251 HydrophobicContact CD1-CD1 3.61Å; Y229-L251 HydrophobicContact CD1-CG 4.46Å; Y229-L251 HydrophobicContact CD2-CB 4.15Å; Y229-L251 HydrophobicContact CD2-CD1 3.68Å; Y229-L251 HydrophobicContact CD2-CG 3.89Å; Y229-L251 HydrophobicContact CE1-CD1 3.85Å; Y229-L251 HydrophobicContact CE2-CB 4.46Å; Y229-L251 HydrophobicContact CE2-CD1 3.93Å; Y229-L251 HydrophobicContact CE2-CG 4.47Å; Y229-L251 HydrophobicContact CG-CD1 3.51Å; Y229-L251 HydrophobicContact CG-CG 3.89Å; I249-L251 HydrophobicContact CD1-CD2 4.05Å |
| 252 | W | 94.3 | Very high | 74.6 | Confident | 12 Ų | 12 | 95.4 Ų | 95.4 | 5% | 0.045 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 151.8 | -177.3 | 61.7 | -81 | 0 | 0 | 0 | 113.9 | S93 Y95 Y123 H124 L125 K254 | S93-W252 VanDerWaalsContact O-CE3 3.3Å; S93-W252 WeakPolarHBondContact O-CZ3 3.28Å; Y95-W252 HydrophobicContact CD2-CB 4.24Å; Y95-W252 AromaticContact CD2-CD1 3.59Å; Y95-W252 AromaticContact CD2-CD2 3.79Å; Y95-W252 HydrophobicContact CD2-CD2 3.79Å; Y95-W252 AromaticContact CD2-CE2 3.85Å; Y95-W252 AromaticContact CD2-CG 3.63Å; Y95-W252 HydrophobicContact CD2-CG 3.63Å; Y95-W252 AromaticContact CD2-NE1 3.73Å; Y95-W252 HydrophobicContact CE2-CB 3.92Å; Y95-W252 AromaticContact CE2-CD1 3.91Å; Y95-W252 HydrophobicContact CE2-CD2 4.37Å; Y95-W252 AromaticContact CE2-CG 3.81Å; Y95-W252 HydrophobicContact CE2-CG 3.81Å; Y123-W252 PolarHBondContact O-N 2.97Å; Y123-W252 VanDerWaalsContact O-N 3.12Å; Y123-W252 PolarHBondContact O-NE1 2.85Å; H124-W252 CarbonylContact C-O 3.52Å; H124-W252 WeakPolarHBondContact CA-O 3.49Å; H124-W252 HydrophobicContact CB-CD2 4.04Å; H124-W252 HydrophobicContact CB-CE3 4.35Å; H124-W252 HydrophobicContact CB-CH2 4.39Å; H124-W252 HydrophobicContact CB-CZ2 4.05Å; H124-W252 WeakPolarHBondContact CB-O 3.36Å; L125-W252 WeakPolarHBondContact CG-O 3.49Å; L125-W252 PolarHBondContact N-O 3.22Å; L125-W252 VanDerWaalsContact N-O 3.08Å; W252-K254 HydrophobicContact CE3-CB 4.11Å; W252-K254 HydrophobicContact CH2-CB 4.04Å; W252-K254 HydrophobicContact CH2-CD 3.84Å; W252-K254 HydrophobicContact CH2-CG 3.92Å; W252-K254 HydrophobicContact CZ3-CB 3.57Å; W252-K254 HydrophobicContact CZ3-CD 4.22Å; W252-K254 HydrophobicContact CZ3-CG 3.78Å |
| 253 | R | 93.3 | Very high | 71.7 | Confident | 58 Ų | 58 | 96.1 Ų | 96.1 | 22% | 0.219 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 106.2 | -178.5 | -161.8 | 173.4 | -70.6 | -83 | 2.4 | 110.6 | E57 H90 L92 S93 L125 P216 | E57-R253 VanDerWaalsContact CD-NE 3.32Å; E57-R253 IonicContact OE1-CZ 3.29Å; E57-R253 IonicContact OE1-NE 2.71Å; E57-R253 PolarHBondContact OE1-NE 3.46Å; E57-R253 IonicContact OE1-NH2 2.95Å; E57-R253 PolarHBondContact OE1-NH2 3.11Å; E57-R253 WeakPolarHBondContact OE2-CD 3.33Å; E57-R253 IonicContact OE2-CZ 3.08Å; E57-R253 IonicContact OE2-NE 3.75Å; E57-R253 PolarHBondContact OE2-NE 2.94Å; H90-R253 PolarHBondContact CD2-NE 3.4Å; L92-R253 WeakPolarHBondContact CA-O 3.49Å; L92-R253 HydrophobicContact CD2-CB 4.36Å; L92-R253 HydrophobicContact CD2-CG 3.96Å; S93-R253 PolarHBondContact N-O 3.18Å; L125-R253 HydrophobicContact CD1-CB 4Å; L125-R253 HydrophobicContact CD1-CG 4.01Å; P216-R253 HydrophobicContact CG-CB 4.13Å |
| 254 | K | 88.4 | Confident | 68.7 | Low | 82 Ų | 82 | 102.5 Ų | 102.5 | 36% | 0.357 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 135.2 | 176.3 | -169.6 | 162.4 | 178.7 | 168.4 | 0 | 109.9 | E97 H124 W252 E256 | E97-K254 IonicContact OE1-NZ 2.66Å; E97-K254 PolarHBondContact OE1-NZ 2.9Å; H124-K254 HydrophobicContact CB-CB 3.82Å; H124-K254 HydrophobicContact CB-CD 4.39Å; W252-K254 HydrophobicContact CE3-CB 4.11Å; W252-K254 HydrophobicContact CH2-CB 4.04Å; W252-K254 HydrophobicContact CH2-CD 3.84Å; W252-K254 HydrophobicContact CH2-CG 3.92Å; W252-K254 HydrophobicContact CZ3-CB 3.57Å; W252-K254 HydrophobicContact CZ3-CD 4.22Å; W252-K254 HydrophobicContact CZ3-CG 3.78Å; K254-E256 PolarHBondContact O-N 3.37Å |
| 255 | A | 77.1 | Confident | 66.4 | Low | 58 Ų | 58 | 101.2 Ų | 101.2 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 123.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L92 | L92-A255 HydrophobicContact CD1-CB 3.96Š|
| 256 | E | 67.5 | Low | 63.6 | Low | 139 Ų | 139 | 103.1 Ų | 103.1 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 134.4 | 177.2 | -63.7 | -171.1 | 158.1 | 0 | 0 | 111 | K126 K254 I258 | K126-E256 IonicContact NZ-OE1 3.77Å; K126-E256 PolarHBondContact NZ-OE1 3.43Å; K254-E256 PolarHBondContact O-N 3.37Å; E256-I258 PolarHBondContact O-N 2.66Å |
| 257 | K | 49.5 | Very low | 60.5 | Low | 166 Ų | 166 | 104.2 Ų | 104.2 | 72% | 0.722 | 55% | 0.55 | S | S | * | * | trans | -74.9 | 94.1 | -179.3 | -71.2 | 179.1 | 179.7 | 172.2 | 0 | 110.1 | A259 N285 | K257-A259 PolarHBondContact O-N 3.3Å; K257-N285 PolarHBondContact NZ-OD1 3.12Å | ||
| 258 | I | 46.7 | Very low | 57.7 | Low | 151 Ų | 151 | 104.8 Ų | 104.8 | 77% | 0.774 | 57% | 0.57 | S | S | * | * | trans | -64.2 | 104.8 | 179.9 | -59.5 | 173 | 0 | 0 | 0 | 110.8 | E256 R260 | E256-I258 PolarHBondContact O-N 2.66Å; I258-R260 PolarHBondContact O-N 3.44Å | ||
| 259 | A | 33.1 | Very low | 54.5 | Low | 97 Ų | 97 | 110.5 Ų | 110.5 | 80% | 0.802 | 60% | 0.601 | S | S | * | * | trans | -75.1 | 104.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | K257 R261 | K257-A259 PolarHBondContact O-N 3.3Å; A259-R261 PolarHBondContact O-N 3.23Å | ||
| 260 | R | 36.7 | Very low | 51.5 | Low | 237 Ų | 237 | 119.1 Ų | 119.1 | 89% | 0.894 | 65% | 0.647 | S | S | * | * | trans | -76.6 | 107.2 | 178.2 | -68.8 | -175.5 | 176.8 | -176.6 | -0.7 | 111.7 | I258 | I258-R260 PolarHBondContact O-N 3.44Š| ||
| 261 | R | 31.6 | Very low | 48.3 | Very low | 252 Ų | 252 | 122.7 Ų | 122.7 | 95% | 0.951 | 67% | 0.673 | S | S | * | * | trans | -77.9 | 144.3 | 152.6 | -75.9 | -177.4 | 170.5 | 178.4 | -2.9 | 108.9 | A259 | A259-R261 PolarHBondContact O-N 3.23Š| ||
| 262 | G | 30 | Very low | 45.1 | Very low | 77 Ų | 77 | 132.8 Ų | 132.8 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | trans | -102.3 | 159.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 263 | M | 29.7 | Very low | 41.9 | Very low | 196 Ų | 196 | 136.1 Ų | 136.1 | 97% | 0.966 | 75% | 0.747 | S | S | * | * | trans | -153.3 | 152.8 | 163.2 | -103.5 | 170.2 | 66 | 0 | 0 | 109.6 | ||||
| 264 | Q | 26 | Very low | 38.7 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | -161.9 | 171.6 | -172.6 | -115.5 | -166.1 | 0.4 | 0 | 0 | 109.6 | ||||
| 265 | P | 39 | Very low | 35.9 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | cis | -109 | -106.8 | -19.2 | 30.9 | -9.9 | 0 | 0 | 0 | 108.6 | ||||
| 266 | P | 32.8 | Very low | 33.3 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | cis | -98.1 | -153.5 | -15.4 | 42.5 | -34 | 0 | 0 | 0 | 112.3 | ||||
| 267 | A | 26.5 | Very low | 31.5 | Very low | 95 Ų | 95 | 147.5 Ų | 147.5 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -156.7 | 159.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 268 | A | 33.7 | Very low | 30.3 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | -166.4 | 109.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 269 | N | 27.4 | Very low | 29.1 | Very low | 159 Ų | 159 | 145.4 Ų | 145.4 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | 69.3 | 97.9 | 72 | -81.1 | 2.8 | 0 | 0 | 0 | 116.6 | |||||
| 270 | L | 30.9 | Very low | 28.6 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 95% | 0.953 | 79% | 0.794 | S | S | * | * | trans | -150.4 | 138.5 | 134 | -116.6 | 173 | 0 | 0 | 0 | 108.2 | ||||
| 271 | S | 25.8 | Very low | 28 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -134.2 | 153.3 | -165.2 | 56.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 272 | F | 28.2 | Very low | 27.6 | Very low | 215 Ų | 215 | 131.7 Ų | 131.7 | 94% | 0.943 | 78% | 0.781 | S | S | * | * | trans | -135.1 | 126.3 | 143.8 | -114.3 | -82.3 | 0 | 0 | 0 | 108.8 | ||||
| 273 | A | 27.3 | Very low | 27.5 | Very low | 82 Ų | 82 | 134 Ų | 134 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -71.6 | 158.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 274 | K | 25.9 | Very low | 27.2 | Very low | 197 Ų | 197 | 128.8 Ų | 128.8 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | -119.8 | 128.4 | 54.8 | -90.6 | 179 | 169.5 | 178.3 | 0 | 115.3 | |||||
| 275 | V | 28.4 | Very low | 27.1 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | 44.9 | 111.6 | 125 | -175.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 276 | E | 22 | Very low | 26.5 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | 128.4 | 69.5 | 54.5 | -13.1 | 176.8 | 122.5 | 0 | 0 | 110.6 | |||||
| 277 | P | 31.3 | Very low | 26.2 | Very low | 100 Ų | 100 | 128.8 Ų | 128.8 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | trans | -88.2 | -138.9 | 175.2 | 34.2 | -23.8 | 0 | 0 | 0 | 109.3 | ||||
| 278 | M | 22.7 | Very low | 26.2 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | trans | 90.2 | 132.7 | 160.6 | -49.4 | -129.1 | 166.4 | 0 | 0 | 117.5 | ||||
| 279 | L | 22.6 | Very low | 25.7 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | cis | -164.6 | 165.4 | -22.7 | -139.6 | 124.5 | 0 | 0 | 0 | 111.6 | ||||
| 280 | S | 22.1 | Very low | 25.7 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | 82.9 | 148.8 | 141.9 | 81.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 281 | S | 24.1 | Very low | 25.7 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | 77.6 | 139.4 | 150.6 | 76.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 282 | A | 24.5 | Very low | 25.6 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | cis | -144.8 | -116.9 | -19 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 283 | P | 26.2 | Very low | 25.5 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | -118.9 | 174.2 | -125.2 | 36.4 | -19.4 | 0 | 0 | 0 | 115.7 | |||||
| 284 | A | 23.7 | Very low | 25.4 | Very low | 86 Ų | 86 | 127.5 Ų | 127.5 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | -83.4 | 174.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 285 | N | 24 | Very low | 25.2 | Very low | 113 Ų | 113 | 122 Ų | 122 | 60% | 0.604 | 72% | 0.724 | S | S | * | * | trans | 82.2 | 110.3 | -179.1 | -60.2 | -0.8 | 0 | 0 | 0 | 116.3 | K257 | K257-N285 PolarHBondContact NZ-OD1 3.12Š| ||
| 286 | V | 27.8 | Very low | 25.1 | Very low | 154 Ų | 154 | 121.5 Ų | 121.5 | 93% | 0.933 | 73% | 0.725 | S | S | * | * | -113.5 | 130.9 | 123.4 | 174.4 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 287 | E | 25.3 | Very low | 25.1 | Very low | 150 Ų | 150 | 120.7 Ų | 120.7 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | trans | -161.7 | 148 | 161.8 | -151.3 | -170.6 | -109.5 | 0 | 0 | 109.9 | ||||
| 288 | Q | 25.8 | Very low | 24.6 | Very low | 170 Ų | 170 | 123.3 Ų | 123.3 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | trans | 72.4 | 141.9 | 170.9 | -44.1 | -178.5 | 14.2 | 0 | 0 | 115.1 | ||||
| 289 | A | 23 | Very low | 24.6 | Very low | 91 Ų | 91 | 120.1 Ų | 120.1 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | cis | -142.7 | 165.6 | 9.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 290 | P | 29.3 | Very low | 24.5 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | trans | -109.6 | -139.1 | -174.9 | 34.2 | -12.5 | 0 | 0 | 0 | 109.4 | ||||
| 291 | P | 31 | Very low | 24.4 | Very low | 107 Ų | 107 | 122.9 Ų | 122.9 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | cis | -142.5 | -159.1 | -8.9 | 33.2 | -7.3 | 0 | 0 | 0 | 115.9 | ||||
| 292 | C | 23.3 | Very low | 24.3 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 70% | 0.703 | 75% | 0.747 | S | S | * | * | trans | 93.3 | 137.3 | 160.2 | -61.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 293 | Q | 25.2 | Very low | 24 | Very low | 158 Ų | 158 | 124.5 Ų | 124.5 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | cis | -164.8 | 168.1 | -2.3 | -97.4 | 166.1 | -75.8 | 0 | 0 | 105.7 | ||||
| 294 | Q | 24.5 | Very low | 23.8 | Very low | 152 Ų | 152 | 125.8 Ų | 125.8 | 71% | 0.71 | 75% | 0.745 | S | S | * | * | cis | -174.6 | 171.9 | -11.8 | -109 | -174.3 | -111.3 | 0 | 0 | 106.2 | ||||
| 295 | S | 23.2 | Very low | 23.6 | Very low | 81 Ų | 81 | 130.9 Ų | 130.9 | 57% | 0.566 | 75% | 0.751 | S | S | * | * | cis | -172.2 | -170.4 | -23.9 | 49.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 296 | C | 25.8 | Very low | 23.4 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | 83 | 153.9 | 166.6 | -55.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 297 | L | 22.3 | Very low | 23 | Very low | 141 Ų | 141 | 132 Ų | 132 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | cis | 176.4 | 136.5 | -49.1 | -102 | 166.1 | 0 | 0 | 0 | 108.2 | ||||
| 298 | D | 20 | Very low | 22.8 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | 20.2 | 149 | 155.3 | -48.2 | -24.6 | 0 | 0 | 0 | 123.8 | ||||
| 299 | G | 22.7 | Very low | 22.5 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | trans | 150 | 77.6 | 145.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 300 | E | 21.1 | Very low | 22.4 | Very low | 192 Ų | 192 | 134.7 Ų | 134.7 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | 52.3 | -176.2 | 144 | -59.6 | -174.2 | 156.2 | 0 | 0 | 121.1 | ||||
| 301 | S | 20.5 | Very low | 22 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | -150.1 | 146.1 | -81.5 | 62.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 302 | T | 20.7 | Very low | 21.5 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | 39.8 | 122.2 | 156.4 | 55.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 303 | S | 19.1 | Very low | 21.4 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | -178 | 157 | 101 | 55.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 304 | L | 21.4 | Very low | 21.2 | Very low | 153 Ų | 153 | 135 Ų | 135 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | trans | 61.1 | 110.3 | 154.1 | -69.1 | 162.8 | 0 | 0 | 0 | 122.3 | ||||
| 305 | K | 19.2 | Very low | 21.1 | Very low | 193 Ų | 193 | 133 Ų | 133 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -0.2 | 134.9 | 138.7 | -52.7 | 176.6 | 177.7 | -172.9 | 0 | 118.5 | ||||
| 306 | S | 20 | Very low | 21.2 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | -174.8 | 164 | 94.3 | 61.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 307 | E | 20 | Very low | 21.2 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | trans | -69.9 | 154.5 | -169.5 | -71.6 | 140 | 144.9 | 0 | 0 | 118.1 | ||||
| 308 | E | 20.7 | Very low | 21.5 | Very low | 183 Ų | 183 | 135.1 Ų | 135.1 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | 74.2 | 161.6 | 134.7 | -78.6 | -171.4 | 167.1 | 0 | 0 | 124.6 | ||||
| 309 | N | 20 | Very low | 21.8 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -69.8 | 132.2 | 178.3 | -57.2 | -73.6 | 0 | 0 | 0 | 111.8 | ||||
| 310 | S | 21.2 | Very low | 22 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -150.7 | 163.3 | 145.8 | 55 | 0 | 0 | 0 | 0 | 111 | ||||
| 311 | E | 19.9 | Very low | 22.2 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -94.6 | 167.3 | -157 | -54.7 | 168.1 | 116.3 | 0 | 0 | 114.2 | ||||
| 312 | C | 20.3 | Very low | 22.4 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | 67 | 107 | 146.7 | -76.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 313 | S | 21.6 | Very low | 22.7 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | 60.1 | 151.8 | 114.2 | 74 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 314 | S | 22.1 | Very low | 23 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | cis | -170.9 | 161.6 | -23.5 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 315 | S | 22.2 | Very low | 23.1 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 71.9 | 161.8 | 157.6 | -47.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 316 | I | 25.6 | Very low | 23.3 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | cis | -148.7 | 150.2 | 33.5 | -76.1 | 176.7 | 0 | 0 | 0 | 112.8 | ||||
| 317 | N | 25.7 | Very low | 23.4 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | 69.9 | 139.5 | 165.1 | -70 | -16.7 | 0 | 0 | 0 | 120.5 | ||||
| 318 | G | 28.3 | Very low | 24.1 | Very low | 70 Ų | 70 | 137.6 Ų | 137.6 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | -171 | -56.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 319 | S | 24.7 | Very low | 24.4 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 66 | 140.9 | 175.7 | 76 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 320 | K | 27 | Very low | 24.5 | Very low | 188 Ų | 188 | 136 Ų | 136 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | trans | 67.4 | 138 | 177.6 | -54.4 | -179.3 | -177.7 | -178.2 | 0 | 115.1 | ||||
| 321 | S | 27 | Very low | 24.6 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | cis | -170.5 | 146.2 | -9.8 | 44.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 322 | D | 24.5 | Very low | 24.9 | Very low | 139 Ų | 139 | 131.7 Ų | 131.7 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | cis | -164.5 | 175.3 | -17.6 | -89.2 | -43.6 | 0 | 0 | 0 | 105.3 | ||||
| 323 | E | 25.5 | Very low | 24.9 | Very low | 177 Ų | 177 | 132.4 Ų | 132.4 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | cis | -146.7 | 165.3 | 16.1 | -150.4 | 166.1 | -147.2 | 0 | 0 | 111.7 | ||||
| 324 | T | 26.4 | Very low | 25 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | trans | -65.2 | 157.4 | -171.6 | 43.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 325 | I | 23.4 | Very low | 25 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | cis | 113.2 | 113.6 | 19.9 | -77.1 | 173.3 | 0 | 0 | 0 | 114.9 | ||||
| 326 | T | 23.3 | Very low | 25.1 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | 63.1 | 139 | 155.5 | 53.6 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 327 | Y | 21.6 | Very low | 25.2 | Very low | 218 Ų | 218 | 137.2 Ų | 137.2 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | trans | -59.3 | -179.7 | 155.3 | -65.2 | -84.9 | 0 | 0 | 0 | 114.8 | ||||
| 328 | P | 34.2 | Very low | 25.2 | Very low | 117 Ų | 117 | 138 Ų | 138 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | cis | -122.2 | -151.2 | -32 | 34.5 | -13.3 | 0 | 0 | 0 | 108.8 | ||||
| 329 | P | 28.9 | Very low | 25.3 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | cis | -133.7 | -176.6 | -7.2 | 40.5 | -21.1 | 0 | 0 | 0 | 116.3 | ||||
| 330 | F | 22 | Very low | 25.6 | Very low | 211 Ų | 211 | 146 Ų | 146 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | 57.9 | 110.1 | 167.3 | -74.8 | -77.1 | 0 | 0 | 0 | 119.2 | ||||
| 331 | G | 21.8 | Very low | 25.7 | Very low | 69 Ų | 69 | 140.4 Ų | 140.4 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | 116.8 | 133.4 | 134.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 332 | T | 26.1 | Very low | 25.7 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | 76.3 | 128.7 | 153.4 | -43.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 333 | V | 20.8 | Very low | 25.8 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -115.8 | 138.6 | 170.2 | 168 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 334 | H | 24.5 | Very low | 25.8 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | trans | -163.8 | 117.6 | 146.6 | -108.8 | -75.1 | 0 | 0 | 0 | 112.7 | ||||
| 335 | L | 22.5 | Very low | 25.7 | Very low | 130 Ų | 130 | 146.2 Ų | 146.2 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | trans | 30.5 | 137.4 | 131.9 | -56.1 | -175.1 | 0 | 0 | 0 | 119.1 | ||||
| 336 | L | 23.8 | Very low | 25.8 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | cis | -176.7 | 166.3 | 25.3 | -123.3 | 168.4 | 0 | 0 | 0 | 113.2 | ||||
| 337 | V | 26.3 | Very low | 25.9 | Very low | 113 Ų | 113 | 146 Ų | 146 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | 71.5 | 91.5 | 161.5 | -169.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 338 | E | 25.9 | Very low | 26.2 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | 30.7 | 138.4 | 123.9 | -54.6 | -171.9 | 115.5 | 0 | 0 | 124.6 | |||||
| 339 | K | 30.6 | Very low | 25.8 | Very low | 192 Ų | 192 | 141.5 Ų | 141.5 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | -153.2 | 141.2 | 113.5 | -124.7 | 176.4 | -175.4 | 172.9 | 0 | 114.4 | |||||
| 340 | N | 30.7 | Very low | 25.9 | Very low | 154 Ų | 154 | 141 Ų | 141 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | trans | 64 | 109.3 | 164 | -59.6 | -10.7 | 0 | 0 | 0 | 119.5 | ||||
| 341 | G | 30.1 | Very low | 26.3 | Very low | 70 Ų | 70 | 136.7 Ų | 136.7 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | 148.3 | 22.7 | 119.2 | 0 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 342 | K | 27.1 | Very low | 26.6 | Very low | 185 Ų | 185 | 139.1 Ų | 139.1 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | 66.6 | 144.3 | 164.8 | -60.5 | 170.6 | 172.1 | 178.2 | 0 | 116.9 | ||||
| 343 | F | 26.8 | Very low | 26.9 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 68% | 0.684 | 73% | 0.728 | S | S | * | * | cis | -132.9 | 138.3 | -4.4 | -85.1 | -74.1 | 0 | 0 | 0 | 107.2 | ||||
| 344 | M | 24.6 | Very low | 27.2 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 65% | 0.645 | 73% | 0.727 | S | S | * | * | 60.4 | 115.6 | 81.5 | -149.1 | 170.5 | 78.6 | 0 | 0 | 112.1 | |||||
| 345 | F | 24.6 | Very low | 27.4 | Very low | 184 Ų | 184 | 136.6 Ų | 136.6 | 81% | 0.807 | 71% | 0.713 | S | S | * | * | cis | -131.9 | 170.3 | 47.3 | -89.4 | -99.5 | 0 | 0 | 0 | 115.5 | ||||
| 346 | P | 26.4 | Very low | 27.8 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 71% | 0.708 | 72% | 0.717 | S | S | * | * | trans | -106.1 | 162 | -169 | 39.9 | -33.1 | 0 | 0 | 0 | 115.8 | ||||
| 347 | L | 24.7 | Very low | 28.1 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | trans | -84.3 | 153.6 | 159.2 | -86.8 | 86.5 | 0 | 0 | 0 | 111.5 | ||||
| 348 | P | 28 | Very low | 28.1 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | trans | -77.9 | 153.1 | -170.8 | -16.3 | 32.9 | 0 | 0 | 0 | 115.7 | T350 | P348-T350 PolarHBondContact O-N 2.93Å; P348-T350 VanDerWaalsContact O-N 3.09Å | ||
| 349 | L | 26.7 | Very low | 28.1 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -5.6 | -177.8 | -119.4 | 73.6 | 0 | 0 | 0 | 116.2 | V351 L352 | L349-V351 VanDerWaalsContact C-N 3.31Å; L349-V351 PolarHBondContact O-N 3.17Å; L349-L352 PolarHBondContact O-N 3.48Å |
| 350 | T | 30.1 | Very low | 27.9 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 56% | 0.558 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -68.8 | -21.7 | -163.8 | 47.7 | 0 | 0 | 0 | 0 | 114.9 | P348 | P348-T350 PolarHBondContact O-N 2.93Å; P348-T350 VanDerWaalsContact O-N 3.09Å |
| 351 | V | 30 | Very low | 27.7 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 73% | 0.733 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -74.1 | -31.5 | 178.1 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | L349 A355 | L349-V351 VanDerWaalsContact C-N 3.31Å; L349-V351 PolarHBondContact O-N 3.17Å; V351-A355 PolarHBondContact O-N 3.28Å |
| 352 | L | 29.6 | Very low | 27.6 | Very low | 120 Ų | 120 | 133 Ų | 133 | 63% | 0.628 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -79 | -26.3 | -179.2 | -98 | 163.5 | 0 | 0 | 0 | 113.5 | L349 | L349-L352 PolarHBondContact O-N 3.48Å |
| 353 | Q | 30.5 | Very low | 27.6 | Very low | 129 Ų | 129 | 128 Ų | 128 | 60% | 0.603 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -68.8 | -47.4 | 174.4 | -73.9 | -179 | -70.4 | 0 | 0 | 111.7 | A355 F356 E357 | Q353-A355 PolarHBondContact O-N 2.96Å; Q353-F356 PolarHBondContact O-N 3.07Å; Q353-E357 PolarHBondContact O-N 3.46Å |
| 354 | R | 28.5 | Very low | 27.7 | Very low | 196 Ų | 196 | 125.5 Ų | 125.5 | 74% | 0.74 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -64.7 | -23 | 177.4 | -80 | -176.9 | 168.2 | -176.3 | -4.3 | 114.1 | ||
| 355 | A | 28.2 | Very low | 27.9 | Very low | 58 Ų | 58 | 122.5 Ų | 122.5 | 48% | 0.479 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -71 | -30.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | V351 Q353 | V351-A355 PolarHBondContact O-N 3.28Å; Q353-A355 PolarHBondContact O-N 2.96Å |
| 356 | F | 31.5 | Very low | 28.1 | Very low | 172 Ų | 172 | 118.7 Ų | 118.7 | 75% | 0.754 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -79.7 | -23.4 | 177.6 | -100 | -89.2 | 0 | 0 | 0 | 113.5 | Q353 L358 | Q353-F356 PolarHBondContact O-N 3.07Å; F356-L358 PolarHBondContact O-N 3.25Å |
| 357 | E | 29.1 | Very low | 28.1 | Very low | 152 Ų | 152 | 122.6 Ų | 122.6 | 71% | 0.71 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -10.8 | 179.4 | -66.8 | 175.4 | 144.1 | 0 | 0 | 113.6 | Q353 | Q353-E357 PolarHBondContact O-N 3.46Š|
| 358 | L | 26.2 | Very low | 28.3 | Very low | 151 Ų | 151 | 117.9 Ų | 117.9 | 79% | 0.791 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 0.9 | 179.4 | -82.1 | 164 | 0 | 0 | 0 | 114.6 | F356 | F356-L358 PolarHBondContact O-N 3.25Š|
| 359 | W | 25.6 | Very low | 28.3 | Very low | 195 Ų | 195 | 120.4 Ų | 120.4 | 74% | 0.739 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -96.9 | 114.8 | 171.9 | -89.5 | 40.3 | 0 | 0 | 0 | 111.3 | ||
| 360 | S | 26.6 | Very low | 28.4 | Very low | 63 Ų | 63 | 118.2 Ų | 118.2 | 44% | 0.441 | 65% | 0.645 | S | S | . | * | trans | -62 | 137 | 174.1 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | C362 T363 | S360-C362 PolarHBondContact O-N 3.35Å; S360-C362 PolarHBondContact OG-N 2.98Å; S360-T363 PolarHBondContact O-N 2.84Å | ||
| 361 | P | 28.1 | Very low | 28.6 | Very low | 113 Ų | 113 | 122.4 Ų | 122.4 | 73% | 0.734 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -54.7 | -20 | 173.6 | -27.5 | 35.8 | 0 | 0 | 0 | 114.6 | T363 | P361-T363 VanDerWaalsContact C-N 3.27Å; P361-T363 PolarHBondContact O-N 2.73Å |
| 362 | C | 26.2 | Very low | 28.8 | Very low | 65 Ų | 65 | 119.5 Ų | 119.5 | 44% | 0.439 | 64% | 0.641 | S | S | . | * | G | 310 helix | trans | -64 | -24.2 | 180 | -61.2 | 0 | 0 | 0 | 0 | 114.3 | S360 | S360-C362 PolarHBondContact O-N 3.35Å; S360-C362 PolarHBondContact OG-N 2.98Å |
| 363 | T | 28 | Very low | 29.4 | Very low | 78 Ų | 78 | 121.5 Ų | 121.5 | 48% | 0.479 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -78.7 | -25.3 | -175.1 | -42.6 | 0 | 0 | 0 | 0 | 113 | S360 P361 A365 | S360-T363 PolarHBondContact O-N 2.84Å; P361-T363 VanDerWaalsContact C-N 3.27Å; P361-T363 PolarHBondContact O-N 2.73Å; T363-A365 VanDerWaalsContact C-N 3.29Å; T363-A365 PolarHBondContact O-N 2.78Å |
| 364 | V | 29 | Very low | 30.2 | Very low | 104 Ų | 104 | 123.3 Ų | 123.3 | 63% | 0.63 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -73.2 | -23.1 | 179.7 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | V366 F367 | V364-V366 PolarHBondContact O-N 3.04Å; V364-F367 PolarHBondContact O-N 2.71Å |
| 365 | A | 28 | Very low | 31.1 | Very low | 68 Ų | 68 | 118.4 Ų | 118.4 | 56% | 0.562 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -65.5 | -16.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T363 | T363-A365 VanDerWaalsContact C-N 3.29Å; T363-A365 PolarHBondContact O-N 2.78Å |
| 366 | V | 28.7 | Very low | 32.7 | Very low | 105 Ų | 105 | 119.2 Ų | 119.2 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -88.4 | -27.1 | -176.4 | -178.2 | 0 | 0 | 0 | 0 | 112.7 | V364 | V364-V366 PolarHBondContact O-N 3.04Š|
| 367 | F | 27.2 | Very low | 34.5 | Very low | 191 Ų | 191 | 114.1 Ų | 114.1 | 84% | 0.838 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -4.2 | -177.6 | -98.7 | -84.3 | 0 | 0 | 0 | 115 | V364 | V364-F367 PolarHBondContact O-N 2.71Š|
| 368 | A | 28.3 | Very low | 36.6 | Very low | 63 Ų | 63 | 110 Ų | 110 | 52% | 0.521 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.6 | -6.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A370 T372 | A368-A370 VanDerWaalsContact C-N 3.28Å; A368-A370 PolarHBondContact O-N 3.13Å; A368-T372 WeakPolarHBondContact O-CG2 3.35Å |
| 369 | M | 27.9 | Very low | 39.1 | Very low | 152 Ų | 152 | 104.7 Ų | 104.7 | 75% | 0.749 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 16 | -169.2 | -53.6 | -163.4 | 95.2 | 0 | 0 | 115.3 | T372 | M369-T372 WeakPolarHBondContact CA-OG1 3.47Å; M369-T372 PolarHBondContact O-OG1 3.23Å |
| 370 | A | 29.8 | Very low | 41.6 | Very low | 95 Ų | 95 | 95.8 Ų | 95.8 | 79% | 0.785 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | -15.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A368 | A368-A370 VanDerWaalsContact C-N 3.28Å; A368-A370 PolarHBondContact O-N 3.13Å |
| 371 | E | 33.1 | Very low | 44.2 | Very low | 180 Ų | 180 | 98 Ų | 98 | 84% | 0.841 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -110.5 | 9.1 | 175.9 | -62.1 | -169.4 | 136.7 | 0 | 0 | 112.6 | E373 | E371-E373 PolarHBondContact O-N 3.24Š|
| 372 | T | 34.4 | Very low | 46.9 | Very low | 59 Ų | 59 | 100.6 Ų | 100.6 | 36% | 0.362 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -82.4 | -4.4 | -157.1 | 23.8 | 0 | 0 | 0 | 0 | 117.5 | A368 M369 N376 | A368-T372 WeakPolarHBondContact O-CG2 3.35Å; M369-T372 WeakPolarHBondContact CA-OG1 3.47Å; M369-T372 PolarHBondContact O-OG1 3.23Å; T372-N376 WeakPolarHBondContact O-CB 3.26Å; T372-N376 PolarHBondContact O-ND2 3.25Å |
| 373 | E | 42.4 | Very low | 49.8 | Very low | 162 Ų | 162 | 97.7 Ų | 97.7 | 76% | 0.757 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -83.1 | -51.9 | 180 | -66.9 | -159.4 | 132.1 | 0 | 0 | 113.2 | E371 C375 N376 V377 | E371-E373 PolarHBondContact O-N 3.24Å; E373-C375 VanDerWaalsContact C-N 3.33Å; E373-C375 PolarHBondContact O-N 3.23Å; E373-N376 PolarHBondContact O-N 3.42Å; E373-V377 PolarHBondContact O-N 2.97Å |
| 374 | H | 47.1 | Very low | 52.5 | Low | 167 Ų | 167 | 94 Ų | 94 | 77% | 0.773 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.8 | -32.6 | -177.9 | -90.6 | 61.3 | 0 | 0 | 0 | 113.1 | T378 | H374-T378 PolarHBondContact O-OG1 3.42Å |
| 375 | C | 47 | Very low | 55.2 | Low | 93 Ų | 93 | 92.3 Ų | 92.3 | 63% | 0.628 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.6 | -39.4 | 175.4 | -153.7 | 0 | 0 | 0 | 0 | 111.6 | E373 T378 A379 | E373-C375 VanDerWaalsContact C-N 3.33Å; E373-C375 PolarHBondContact O-N 3.23Å; C375-T378 PolarHBondContact O-N 3.08Å; C375-A379 WeakPolarHBondContact O-CB 3.4Å; C375-A379 PolarHBondContact O-N 2.93Å |
| 376 | N | 62.3 | Low | 58 | Low | 75 Ų | 75 | 92.4 Ų | 92.4 | 40% | 0.401 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 179.9 | -101.5 | -47.1 | 0 | 0 | 0 | 113.6 | T372 E373 T378 A379 V380 A427 | T372-N376 WeakPolarHBondContact O-CB 3.26Å; T372-N376 PolarHBondContact O-ND2 3.25Å; E373-N376 PolarHBondContact O-N 3.42Å; N376-T378 PolarHBondContact O-N 3.09Å; N376-A379 PolarHBondContact O-N 3.22Å; N376-A379 VanDerWaalsContact O-N 3.14Å; N376-V380 WeakPolarHBondContact O-CB 3.37Å; N376-V380 WeakPolarHBondContact O-CG2 3.1Å; N376-V380 PolarHBondContact O-N 3.06Å; N376-A427 HydrophobicContact CB-CB 4.11Å |
| 377 | V | 68.5 | Low | 60.9 | Low | 65 Ų | 65 | 87.5 Ų | 87.5 | 39% | 0.394 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56.6 | -41.9 | 177.6 | 179 | 0 | 0 | 0 | 0 | 110.4 | E373 K381 A427 | E373-V377 PolarHBondContact O-N 2.97Å; V377-K381 VanDerWaalsContact O-CB 3.24Å; V377-K381 WeakPolarHBondContact O-CB 3.32Å; V377-K381 PolarHBondContact O-N 3.22Å; V377-A427 HydrophobicContact CG2-CB 3.91Å |
| 378 | T | 75 | Confident | 63.8 | Low | 67 Ų | 67 | 80 Ų | 80 | 41% | 0.411 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.5 | -37.5 | 179.5 | -48.8 | 0 | 0 | 0 | 0 | 112.2 | H374 C375 N376 R382 | H374-T378 PolarHBondContact O-OG1 3.42Å; C375-T378 PolarHBondContact O-N 3.08Å; N376-T378 PolarHBondContact O-N 3.09Å; T378-R382 VanDerWaalsContact O-CG 3.29Å; T378-R382 WeakPolarHBondContact O-CG 3.31Å; T378-R382 PolarHBondContact O-N 3.22Å; T378-R382 VanDerWaalsContact O-N 3.13Å |
| 379 | A | 76.9 | Confident | 66.7 | Low | 39 Ų | 39 | 80.7 Ų | 80.7 | 32% | 0.322 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.4 | -51.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C375 N376 K381 R382 F383 | C375-A379 WeakPolarHBondContact O-CB 3.4Å; C375-A379 PolarHBondContact O-N 2.93Å; N376-A379 PolarHBondContact O-N 3.22Å; N376-A379 VanDerWaalsContact O-N 3.14Å; A379-K381 VanDerWaalsContact C-N 3.28Å; A379-K381 PolarHBondContact O-N 3.03Å; A379-R382 PolarHBondContact O-N 3.37Å; A379-R382 VanDerWaalsContact O-N 3.17Å; A379-F383 PolarHBondContact O-N 3.33Å |
| 380 | V | 79.2 | Confident | 69.6 | Low | 8 Ų | 8 | 74.2 Ų | 74.2 | 5% | 0.048 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.4 | -39.9 | 177.4 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | N376 F383 I384 A427 A430 M431 | N376-V380 WeakPolarHBondContact O-CB 3.37Å; N376-V380 WeakPolarHBondContact O-CG2 3.1Å; N376-V380 PolarHBondContact O-N 3.06Å; V380-F383 PolarHBondContact O-N 3.32Å; V380-I384 HydrophobicContact CG1-CD1 3.94Å; V380-I384 WeakPolarHBondContact O-CG1 3.21Å; V380-I384 PolarHBondContact O-N 2.95Å; V380-A427 HydrophobicContact CG2-CB 4.23Å; V380-A430 HydrophobicContact CG1-CB 4.33Å; V380-M431 HydrophobicContact CG1-SD 4.46Å; V380-M431 HydrophobicContact CG2-CB 4.35Å; V380-M431 HydrophobicContact CG2-CG 4.49Å; V380-M431 HydrophobicContact CG2-SD 4.07Å |
| 381 | K | 81.6 | Confident | 72.4 | Confident | 108 Ų | 108 | 69.7 Ų | 69.7 | 47% | 0.47 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.6 | -51 | 173.6 | -175.4 | 159.8 | -175.7 | 173.8 | 0 | 112.6 | V377 A379 F383 I384 D385 M424 | V377-K381 VanDerWaalsContact O-CB 3.24Å; V377-K381 WeakPolarHBondContact O-CB 3.32Å; V377-K381 PolarHBondContact O-N 3.22Å; A379-K381 VanDerWaalsContact C-N 3.28Å; A379-K381 PolarHBondContact O-N 3.03Å; K381-F383 PolarHBondContact O-N 3.14Å; K381-I384 PolarHBondContact O-N 2.97Å; K381-I384 VanDerWaalsContact O-N 3.16Å; K381-D385 WeakPolarHBondContact CG-OD2 3.39Å; K381-D385 VanDerWaalsContact O-CG 3.32Å; K381-D385 PolarHBondContact O-N 3.03Å; K381-M424 HydrophobicContact CB-CE 3.59Å; K381-M424 HydrophobicContact CD-CE 3.93Å; K381-M424 HydrophobicContact CG-CE 3.57Å |
| 382 | R | 84.3 | Confident | 75.1 | Confident | 168 Ų | 168 | 68 Ų | 68 | 63% | 0.634 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.2 | -35.4 | 176.2 | -73.6 | 171 | 179.7 | 175.2 | 1.6 | 112 | T378 A379 N386 | T378-R382 VanDerWaalsContact O-CG 3.29Å; T378-R382 WeakPolarHBondContact O-CG 3.31Å; T378-R382 PolarHBondContact O-N 3.22Å; T378-R382 VanDerWaalsContact O-N 3.13Å; A379-R382 PolarHBondContact O-N 3.37Å; A379-R382 VanDerWaalsContact O-N 3.17Å; R382-N386 WeakPolarHBondContact O-CB 3.27Å; R382-N386 PolarHBondContact O-N 3.48Å; R382-N386 PolarHBondContact O-ND2 3.29Å |
| 383 | F | 86.2 | Confident | 77.6 | Confident | 5 Ų | 5 | 67.5 Ų | 67.5 | 2% | 0.022 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66 | -45.9 | 174.8 | 176.9 | -121.9 | 0 | 0 | 0 | 112 | A379 V380 K381 N386 L387 M431 L434 R466 F467 N470 C472 | A379-F383 PolarHBondContact O-N 3.33Å; V380-F383 PolarHBondContact O-N 3.32Å; K381-F383 PolarHBondContact O-N 3.14Å; F383-N386 PolarHBondContact O-N 3.28Å; F383-L387 HydrophobicContact CZ-CD2 4.48Å; F383-L387 VanDerWaalsContact O-CB 3.24Å; F383-L387 WeakPolarHBondContact O-CB 3.29Å; F383-L387 PolarHBondContact O-N 3.22Å; F383-M431 HydrophobicContact CD1-CE 4.34Å; F383-M431 HydrophobicContact CD1-SD 4.37Å; F383-M431 HydrophobicContact CE1-CE 4.37Å; F383-L434 HydrophobicContact CD1-CD1 4.24Å; F383-L434 HydrophobicContact CE1-CD1 4.17Å; F383-R466 HydrophobicContact CD2-CB 4.4Å; F383-R466 HydrophobicContact CE2-CB 4.07Å; F383-F467 AromaticContact CZ-CD1 3.85Å; F383-F467 HydrophobicContact CZ-CD1 3.85Å; F383-F467 HydrophobicContact CZ-CE1 4.06Å; F383-F467 HydrophobicContact CZ-CG 4.17Å; F383-N470 HydrophobicContact CD1-CB 4.4Å; F383-N470 HydrophobicContact CD2-CB 4.24Å; F383-N470 WeakPolarHBondContact CD2-ND2 3.49Å; F383-N470 HydrophobicContact CE2-CB 4.41Å; F383-N470 HydrophobicContact CG-CB 4.24Å; F383-C472 HydrophobicContact CE1-CB 3.87Å; F383-C472 HydrophobicContact CZ-CB 3.94Å |
| 384 | I | 85.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 176.2 | -72.7 | 168 | 0 | 0 | 0 | 112 | V380 K381 L387 S388 V416 N420 M424 L434 | V380-I384 HydrophobicContact CG1-CD1 3.94Å; V380-I384 WeakPolarHBondContact O-CG1 3.21Å; V380-I384 PolarHBondContact O-N 2.95Å; K381-I384 PolarHBondContact O-N 2.97Å; K381-I384 VanDerWaalsContact O-N 3.16Å; I384-L387 PolarHBondContact O-N 2.86Å; I384-S388 WeakPolarHBondContact O-CB 3.3Å; I384-S388 PolarHBondContact O-N 2.84Å; I384-S388 PolarHBondContact O-OG 3.2Å; I384-V416 HydrophobicContact CG2-CG1 3.96Å; I384-N420 HydrophobicContact CG2-CB 3.96Å; I384-M424 HydrophobicContact CD1-CE 3.96Å; I384-M424 HydrophobicContact CD1-SD 3.74Å; I384-L434 HydrophobicContact CD1-CD1 4.09Å; I384-L434 HydrophobicContact CG1-CD1 3.84Å |
| 385 | D | 85.6 | Confident | 81.6 | Confident | 69 Ų | 69 | 52.3 Ų | 52.3 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 178.7 | -66.6 | -27.6 | 0 | 0 | 0 | 111.1 | K381 T389 | K381-D385 WeakPolarHBondContact CG-OD2 3.39Å; K381-D385 VanDerWaalsContact O-CG 3.32Å; K381-D385 PolarHBondContact O-N 3.03Å; D385-T389 WeakPolarHBondContact O-CB 3.22Å; D385-T389 PolarHBondContact O-N 3.23Å; D385-T389 PolarHBondContact O-OG1 3.22Å |
| 386 | N | 88.2 | Confident | 83.4 | Confident | 70 Ų | 70 | 51.1 Ų | 51.1 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 174 | -79.8 | -36.8 | 0 | 0 | 0 | 112.5 | R382 F383 S388 T389 D390 | R382-N386 WeakPolarHBondContact O-CB 3.27Å; R382-N386 PolarHBondContact O-N 3.48Å; R382-N386 PolarHBondContact O-ND2 3.29Å; F383-N386 PolarHBondContact O-N 3.28Å; N386-S388 PolarHBondContact O-N 3.31Å; N386-T389 CarbonylContact O-C 3.6Å; N386-T389 WeakPolarHBondContact O-CA 3.46Å; N386-T389 WeakPolarHBondContact O-CB 3.41Å; N386-T389 PolarHBondContact O-N 2.79Å; N386-T389 VanDerWaalsContact O-N 3.14Å; N386-D390 PolarHBondContact O-N 2.94Å |
| 387 | L | 88 | Confident | 84.3 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 177.9 | 174.4 | 57.9 | 0 | 0 | 0 | 111.6 | F383 I384 T389 D390 L391 V416 F445 F467 | F383-L387 HydrophobicContact CZ-CD2 4.48Å; F383-L387 VanDerWaalsContact O-CB 3.24Å; F383-L387 WeakPolarHBondContact O-CB 3.29Å; F383-L387 PolarHBondContact O-N 3.22Å; I384-L387 PolarHBondContact O-N 2.86Å; L387-T389 VanDerWaalsContact C-N 3.28Å; L387-T389 PolarHBondContact O-N 2.94Å; L387-D390 PolarHBondContact O-N 2.89Å; L387-L391 HydrophobicContact CD1-CD1 4.16Å; L387-L391 HydrophobicContact CD1-CG 4.19Å; L387-L391 HydrophobicContact CG-CD1 4.25Å; L387-L391 WeakPolarHBondContact O-CG 3.5Å; L387-L391 PolarHBondContact O-N 3.12Å; L387-V416 HydrophobicContact CD2-CG1 4.37Å; L387-V416 HydrophobicContact CD2-CG2 3.65Å; L387-V416 HydrophobicContact CG-CG2 4.08Å; L387-F445 HydrophobicContact CD1-CE2 3.81Å; L387-F445 HydrophobicContact CD1-CZ 4.06Å; L387-F467 HydrophobicContact CD1-CE2 3.46Å; L387-F467 VanDerWaalsContact CD1-CE2 3.46Å; L387-F467 HydrophobicContact CD1-CZ 3.53Å; L387-F467 HydrophobicContact CD2-CE1 4.25Å; L387-F467 HydrophobicContact CD2-CE2 4.43Å; L387-F467 HydrophobicContact CD2-CZ 3.7Å; L387-F467 HydrophobicContact CG-CZ 4.28Å |
| 388 | S | 88.8 | Confident | 84.6 | Confident | 32 Ų | 32 | 48.3 Ų | 48.3 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61 | -39.5 | 173.6 | -57 | 0 | 0 | 0 | 0 | 111.3 | I384 N386 Y392 | I384-S388 WeakPolarHBondContact O-CB 3.3Å; I384-S388 PolarHBondContact O-N 2.84Å; I384-S388 PolarHBondContact O-OG 3.2Å; N386-S388 PolarHBondContact O-N 3.31Å; S388-Y392 VanDerWaalsContact O-CB 3.29Å; S388-Y392 WeakPolarHBondContact O-CB 3.3Å; S388-Y392 PolarHBondContact O-N 3.46Å |
| 389 | T | 89.1 | Confident | 84.5 | Confident | 79 Ų | 79 | 51.6 Ų | 51.6 | 49% | 0.485 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.2 | -41.5 | 176.2 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | D385 N386 L387 Y392 T393 | D385-T389 WeakPolarHBondContact O-CB 3.22Å; D385-T389 PolarHBondContact O-N 3.23Å; D385-T389 PolarHBondContact O-OG1 3.22Å; N386-T389 CarbonylContact O-C 3.6Å; N386-T389 WeakPolarHBondContact O-CA 3.46Å; N386-T389 WeakPolarHBondContact O-CB 3.41Å; N386-T389 PolarHBondContact O-N 2.79Å; N386-T389 VanDerWaalsContact O-N 3.14Å; L387-T389 VanDerWaalsContact C-N 3.28Å; L387-T389 PolarHBondContact O-N 2.94Å; T389-Y392 PolarHBondContact O-N 3.04Å; T389-T393 WeakPolarHBondContact O-CB 3.48Å; T389-T393 PolarHBondContact O-N 3.16Å; T389-T393 PolarHBondContact O-OG1 3.43Å |
| 390 | D | 89 | Confident | 84.1 | Confident | 15 Ų | 15 | 59.2 Ų | 59.2 | 8% | 0.08 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 178.2 | -68.3 | -25.8 | 0 | 0 | 0 | 111.8 | N386 L387 Y392 T393 L394 F445 A463 R466 | N386-D390 PolarHBondContact O-N 2.94Å; L387-D390 PolarHBondContact O-N 2.89Å; D390-Y392 VanDerWaalsContact C-N 3.34Å; D390-Y392 PolarHBondContact O-N 2.91Å; D390-T393 PolarHBondContact O-N 3.28Å; D390-L394 WeakPolarHBondContact O-CB 3.18Å; D390-L394 PolarHBondContact O-N 3.08Å; D390-F445 HydrophobicContact CB-CE1 4.01Å; D390-F445 HydrophobicContact CB-CZ 3.9Å; D390-A463 HydrophobicContact CB-CB 3.89Å; D390-R466 IonicContact OD1-CZ 2.82Å; D390-R466 IonicContact OD1-NH1 2.71Å; D390-R466 PolarHBondContact OD1-NH1 3.05Å; D390-R466 IonicContact OD1-NH2 3.66Å; D390-R466 WeakPolarHBondContact OD2-CD 3.42Å; D390-R466 IonicContact OD2-CZ 2.64Å; D390-R466 IonicContact OD2-NE 2.92Å; D390-R466 IonicContact OD2-NH1 3.22Å; D390-R466 PolarHBondContact OD2-NH1 3.04Å |
| 391 | L | 89.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 176.6 | -71 | 169.8 | 0 | 0 | 0 | 111.7 | L387 L394 C395 A409 A412 L413 V416 P444 F445 | L387-L391 HydrophobicContact CD1-CD1 4.16Å; L387-L391 HydrophobicContact CD1-CG 4.19Å; L387-L391 HydrophobicContact CG-CD1 4.25Å; L387-L391 WeakPolarHBondContact O-CG 3.5Å; L387-L391 PolarHBondContact O-N 3.12Å; L391-L394 PolarHBondContact O-N 3.27Å; L391-C395 VanDerWaalsContact O-CB 3.24Å; L391-C395 WeakPolarHBondContact O-CB 3.43Å; L391-C395 PolarHBondContact O-N 3.31Å; L391-A409 HydrophobicContact CD2-CB 4.37Å; L391-A412 HydrophobicContact CD1-CB 3.78Å; L391-A412 HydrophobicContact CD2-CB 3.81Å; L391-A412 HydrophobicContact CG-CB 4.47Å; L391-L413 HydrophobicContact CB-CD1 4.19Å; L391-L413 HydrophobicContact CB-CD2 3.82Å; L391-L413 HydrophobicContact CB-CG 3.68Å; L391-L413 HydrophobicContact CD1-CD2 4.23Å; L391-L413 HydrophobicContact CD1-CG 4.11Å; L391-V416 HydrophobicContact CD1-CG2 4.07Å; L391-P444 HydrophobicContact CD2-CB 4.31Å; L391-P444 HydrophobicContact CD2-CG 4.23Å; L391-F445 HydrophobicContact CD2-CD2 4.45Å; L391-F445 HydrophobicContact CD2-CE1 4.15Å; L391-F445 HydrophobicContact CD2-CE2 3.54Å; L391-F445 HydrophobicContact CD2-CZ 3.38Å; L391-F445 HydrophobicContact CG-CE2 4.07Å; L391-F445 HydrophobicContact CG-CZ 3.67Å |
| 392 | Y | 88.2 | Confident | 83.8 | Confident | 144 Ų | 144 | 64 Ų | 64 | 57% | 0.565 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.9 | -36.3 | 175.9 | -173.4 | -107 | 0 | 0 | 0 | 112.3 | S388 T389 D390 N396 | S388-Y392 VanDerWaalsContact O-CB 3.29Å; S388-Y392 WeakPolarHBondContact O-CB 3.3Å; S388-Y392 PolarHBondContact O-N 3.46Å; T389-Y392 PolarHBondContact O-N 3.04Å; D390-Y392 VanDerWaalsContact C-N 3.34Å; D390-Y392 PolarHBondContact O-N 2.91Å; Y392-N396 WeakPolarHBondContact CD1-ND2 3.49Å; Y392-N396 WeakPolarHBondContact CE1-ND2 3.42Å; Y392-N396 VanDerWaalsContact CZ-ND2 3.32Å; Y392-N396 PolarHBondContact O-N 3.5Å; Y392-N396 VanDerWaalsContact O-N 3.09Å; Y392-N396 PolarHBondContact O-ND2 3.36Å |
| 393 | T | 87.8 | Confident | 83.7 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 31% | 0.307 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.1 | -45.5 | 175.4 | -55 | 0 | 0 | 0 | 0 | 111 | T389 D390 C395 N396 E397 I459 | T389-T393 WeakPolarHBondContact O-CB 3.48Å; T389-T393 PolarHBondContact O-N 3.16Å; T389-T393 PolarHBondContact O-OG1 3.43Å; D390-T393 PolarHBondContact O-N 3.28Å; T393-C395 PolarHBondContact O-N 3.33Å; T393-N396 PolarHBondContact O-N 3.31Å; T393-E397 WeakPolarHBondContact O-CG 3.39Å; T393-E397 PolarHBondContact O-N 2.91Å; T393-I459 HydrophobicContact CG2-CD1 3.97Å; T393-I459 HydrophobicContact CG2-CG1 4.41Å |
| 394 | L | 87.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 175.2 | -176.6 | 71.2 | 0 | 0 | 0 | 111.8 | D390 L391 G398 I405 A409 P444 F445 L456 I459 | D390-L394 WeakPolarHBondContact O-CB 3.18Å; D390-L394 PolarHBondContact O-N 3.08Å; L391-L394 PolarHBondContact O-N 3.27Å; L394-G398 PolarHBondContact O-N 3.01Å; L394-I405 HydrophobicContact CD1-CG2 4.02Å; L394-I405 HydrophobicContact CD2-CG2 3.93Å; L394-I405 HydrophobicContact CG-CG2 3.81Å; L394-A409 HydrophobicContact CD2-CB 4.37Å; L394-P444 HydrophobicContact CD2-CB 3.92Å; L394-F445 HydrophobicContact CB-CE1 4.42Å; L394-F445 HydrophobicContact CD2-CD1 3.72Å; L394-F445 HydrophobicContact CD2-CE1 3.93Å; L394-F445 HydrophobicContact CD2-CG 4.5Å; L394-L456 HydrophobicContact CD1-CD2 4.18Å; L394-I459 HydrophobicContact CB-CG2 4.35Å |
| 395 | C | 85.5 | Confident | 83.7 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.6 | -49 | 174.3 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | L391 T393 K399 R406 A409 | L391-C395 VanDerWaalsContact O-CB 3.24Å; L391-C395 WeakPolarHBondContact O-CB 3.43Å; L391-C395 PolarHBondContact O-N 3.31Å; T393-C395 PolarHBondContact O-N 3.33Å; C395-K399 WeakPolarHBondContact O-CB 3.34Å; C395-K399 PolarHBondContact O-N 3.33Å; C395-K399 VanDerWaalsContact O-N 3.11Å; C395-R406 HydrophobicContact CB-CG 4.3Å; C395-R406 WeakPolarHBondContact SG-CG 3.45Å; C395-A409 HydrophobicContact CB-CB 4.13Å |
| 396 | N | 84.8 | Confident | 83.6 | Confident | 68 Ų | 68 | 67 Ų | 67 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.9 | -42.5 | -178.5 | -77.4 | -55.5 | 0 | 0 | 0 | 113.6 | Y392 T393 K399 | Y392-N396 WeakPolarHBondContact CD1-ND2 3.49Å; Y392-N396 WeakPolarHBondContact CE1-ND2 3.42Å; Y392-N396 VanDerWaalsContact CZ-ND2 3.32Å; Y392-N396 PolarHBondContact O-N 3.5Å; Y392-N396 VanDerWaalsContact O-N 3.09Å; Y392-N396 PolarHBondContact O-ND2 3.36Å; T393-N396 PolarHBondContact O-N 3.31Å; N396-K399 WeakPolarHBondContact O-CB 3.32Å |
| 397 | E | 81.4 | Confident | 83.5 | Confident | 82 Ų | 82 | 68.8 Ų | 68.8 | 38% | 0.383 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70.7 | -39.3 | 178.3 | -67.9 | -90.2 | -144.1 | 0 | 0 | 111.3 | T393 K399 R455 L456 I459 | T393-E397 WeakPolarHBondContact O-CG 3.39Å; T393-E397 PolarHBondContact O-N 2.91Å; E397-K399 VanDerWaalsContact C-N 3.31Å; E397-K399 PolarHBondContact O-N 3.41Å; E397-R455 WeakPolarHBondContact OE1-CG 3.46Å; E397-R455 IonicContact OE1-CZ 2.6Å; E397-R455 IonicContact OE1-NE 2.67Å; E397-R455 PolarHBondContact OE1-NE 3.38Å; E397-R455 IonicContact OE1-NH2 3.71Å; E397-L456 HydrophobicContact CB-CD2 3.63Å; E397-I459 HydrophobicContact CB-CD1 4.35Å; E397-I459 HydrophobicContact CG-CD1 3.84Å |
| 398 | G | 74 | Confident | 83.4 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.9 | -29.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L394 K400 K401 F402 | L394-G398 PolarHBondContact O-N 3.01Å; G398-K400 PolarHBondContact O-N 2.66Å; G398-K401 PolarHBondContact O-N 3.49Å; G398-F402 PolarHBondContact O-N 2.97Å |
| 399 | K | 73.4 | Confident | 83.3 | Confident | 135 Ų | 135 | 68.1 Ų | 68.1 | 59% | 0.587 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -25.2 | -173.2 | -167.7 | 167.6 | -175.7 | 172.4 | 0 | 115.9 | C395 N396 E397 | C395-K399 WeakPolarHBondContact O-CB 3.34Å; C395-K399 PolarHBondContact O-N 3.33Å; C395-K399 VanDerWaalsContact O-N 3.11Å; N396-K399 WeakPolarHBondContact O-CB 3.32Å; E397-K399 VanDerWaalsContact C-N 3.31Å; E397-K399 PolarHBondContact O-N 3.41Å |
| 400 | K | 68.9 | Low | 83.2 | Confident | 200 Ų | 200 | 67.9 Ų | 67.9 | 87% | 0.87 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -17 | -179.9 | -75.8 | -174 | 177.7 | 177.7 | 0 | 115.5 | G398 | G398-K400 PolarHBondContact O-N 2.66Š|
| 401 | K | 72.2 | Confident | 83.2 | Confident | 149 Ų | 149 | 71.2 Ų | 71.2 | 65% | 0.648 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.1 | -24.5 | -172 | -73.3 | -170.1 | 174.6 | -174.3 | 0 | 115.6 | G398 L453 | G398-K401 PolarHBondContact O-N 3.49Å; K401-L453 HydrophobicContact CD-CD1 4.13Å |
| 402 | F | 82.1 | Confident | 83.1 | Confident | 66 Ų | 66 | 71.4 Ų | 71.4 | 29% | 0.289 | 34% | 0.34 | S | S | . | . | trans | -137.3 | 80.9 | -171.7 | -59.7 | -77.7 | 0 | 0 | 0 | 111 | G398 Q404 I405 R406 L453 L456 | G398-F402 PolarHBondContact O-N 2.97Å; F402-Q404 VanDerWaalsContact C-N 3.28Å; F402-Q404 PolarHBondContact O-N 3.32Å; F402-I405 HydrophobicContact CB-CB 4.07Å; F402-I405 HydrophobicContact CB-CD1 3.49Å; F402-I405 VanDerWaalsContact CB-CD1 3.49Å; F402-I405 HydrophobicContact CB-CG1 3.75Å; F402-I405 HydrophobicContact CD1-CD1 4.31Å; F402-I405 HydrophobicContact CD2-CD1 4.21Å; F402-I405 HydrophobicContact CG-CD1 3.77Å; F402-I405 PolarHBondContact O-N 2.69Å; F402-R406 PolarHBondContact O-N 2.84Å; F402-L453 HydrophobicContact CE2-CD1 3.76Å; F402-L453 HydrophobicContact CE2-CG 4.19Å; F402-L453 HydrophobicContact CZ-CD1 4.46Å; F402-L456 HydrophobicContact CD2-CD1 3.68Å; F402-L456 HydrophobicContact CE2-CD1 3.8Å | ||
| 403 | P | 82.8 | Confident | 83 | Confident | 78 Ų | 78 | 66.4 Ų | 66.4 | 51% | 0.506 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.8 | -36.3 | -178.4 | 22.8 | -32.7 | 0 | 0 | 0 | 112.9 | I405 R406 E407 | P403-I405 VanDerWaalsContact C-N 3.31Å; P403-I405 PolarHBondContact O-N 2.91Å; P403-R406 WeakPolarHBondContact O-CA 3.24Å; P403-R406 VanDerWaalsContact O-CB 3.23Å; P403-R406 WeakPolarHBondContact O-CB 3.17Å; P403-R406 PolarHBondContact O-N 3.39Å; P403-E407 PolarHBondContact O-N 3.04Å |
| 404 | Q | 84.5 | Confident | 83 | Confident | 148 Ų | 148 | 68.1 Ų | 68.1 | 69% | 0.692 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -58.6 | -38.8 | 176.7 | -66.5 | 172.5 | -12 | 0 | 0 | 112.9 | F402 R406 E407 A408 | F402-Q404 VanDerWaalsContact C-N 3.28Å; F402-Q404 PolarHBondContact O-N 3.32Å; Q404-R406 VanDerWaalsContact C-N 3.31Å; Q404-E407 PolarHBondContact O-N 3.14Å; Q404-A408 WeakPolarHBondContact O-CB 3.35Å; Q404-A408 PolarHBondContact O-N 2.98Å |
| 405 | I | 86 | Confident | 82.9 | Confident | 7 Ų | 7 | 71 Ų | 71 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.1 | -37.4 | 175.8 | -59.1 | 179 | 0 | 0 | 0 | 110.2 | L394 F402 P403 A409 M447 | L394-I405 HydrophobicContact CD1-CG2 4.02Å; L394-I405 HydrophobicContact CD2-CG2 3.93Å; L394-I405 HydrophobicContact CG-CG2 3.81Å; F402-I405 HydrophobicContact CB-CB 4.07Å; F402-I405 HydrophobicContact CB-CD1 3.49Å; F402-I405 VanDerWaalsContact CB-CD1 3.49Å; F402-I405 HydrophobicContact CB-CG1 3.75Å; F402-I405 HydrophobicContact CD1-CD1 4.31Å; F402-I405 HydrophobicContact CD2-CD1 4.21Å; F402-I405 HydrophobicContact CG-CD1 3.77Å; F402-I405 PolarHBondContact O-N 2.69Å; P403-I405 VanDerWaalsContact C-N 3.31Å; P403-I405 PolarHBondContact O-N 2.91Å; I405-A409 VanDerWaalsContact O-CB 3.3Å; I405-A409 WeakPolarHBondContact O-CB 3.43Å; I405-A409 PolarHBondContact O-N 3.04Å; I405-M447 HydrophobicContact CD1-CB 4.46Å; I405-M447 WeakPolarHBondContact CD1-O 3.49Å; I405-M447 HydrophobicContact CG1-CB 3.94Å |
| 406 | R | 84.9 | Confident | 82.8 | Confident | 73 Ų | 73 | 70.6 Ų | 70.6 | 28% | 0.275 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 176.8 | -157.3 | -165.5 | 110.9 | -127.7 | -13.9 | 111.5 | C395 F402 P403 Q404 A409 E410 | C395-R406 HydrophobicContact CB-CG 4.3Å; C395-R406 WeakPolarHBondContact SG-CG 3.45Å; F402-R406 PolarHBondContact O-N 2.84Å; P403-R406 WeakPolarHBondContact O-CA 3.24Å; P403-R406 VanDerWaalsContact O-CB 3.23Å; P403-R406 WeakPolarHBondContact O-CB 3.17Å; P403-R406 PolarHBondContact O-N 3.39Å; Q404-R406 VanDerWaalsContact C-N 3.31Å; R406-A409 PolarHBondContact O-N 3.36Å; R406-E410 IonicContact CZ-OE1 2.87Å; R406-E410 IonicContact CZ-OE2 2.65Å; R406-E410 IonicContact NE-OE1 2.66Å; R406-E410 PolarHBondContact NE-OE1 3.34Å; R406-E410 IonicContact NE-OE2 3.65Å; R406-E410 VanDerWaalsContact NH2-CD 3.28Å; R406-E410 IonicContact NH2-OE1 2.89Å; R406-E410 PolarHBondContact NH2-OE1 3.44Å; R406-E410 IonicContact NH2-OE2 3.26Å; R406-E410 PolarHBondContact NH2-OE2 3.09Å; R406-E410 WeakPolarHBondContact O-CB 3.35Å; R406-E410 WeakPolarHBondContact O-CG 3.42Å; R406-E410 PolarHBondContact O-N 2.85Å |
| 407 | E | 85.7 | Confident | 82.8 | Confident | 107 Ų | 107 | 76.5 Ų | 76.5 | 50% | 0.5 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 178.3 | -72 | 162 | -164 | 0 | 0 | 111.4 | P403 Q404 A409 E410 V411 | P403-E407 PolarHBondContact O-N 3.04Å; Q404-E407 PolarHBondContact O-N 3.14Å; E407-A409 VanDerWaalsContact C-N 3.35Å; E407-A409 PolarHBondContact O-N 2.94Å; E407-E410 PolarHBondContact O-N 3.41Å; E407-V411 WeakPolarHBondContact O-CG2 3.28Å; E407-V411 PolarHBondContact O-N 3.13Å |
| 408 | A | 86.4 | Confident | 82.8 | Confident | 21 Ų | 21 | 76.3 Ų | 76.3 | 17% | 0.174 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q404 V411 A412 P444 M447 | Q404-A408 WeakPolarHBondContact O-CB 3.35Å; Q404-A408 PolarHBondContact O-N 2.98Å; A408-V411 PolarHBondContact O-N 3.48Å; A408-A412 WeakPolarHBondContact O-CB 3.35Å; A408-A412 PolarHBondContact O-N 2.91Å; A408-P444 HydrophobicContact CB-CB 4Å; A408-P444 HydrophobicContact CB-CG 3.98Å; A408-P444 WeakPolarHBondContact O-CG 3.5Å; A408-M447 HydrophobicContact CB-SD 4.18Å |
| 409 | A | 86.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.1 | -37.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L391 L394 C395 I405 R406 E407 A412 L413 P444 | L391-A409 HydrophobicContact CD2-CB 4.37Å; L394-A409 HydrophobicContact CD2-CB 4.37Å; C395-A409 HydrophobicContact CB-CB 4.13Å; I405-A409 VanDerWaalsContact O-CB 3.3Å; I405-A409 WeakPolarHBondContact O-CB 3.43Å; I405-A409 PolarHBondContact O-N 3.04Å; R406-A409 PolarHBondContact O-N 3.36Å; E407-A409 VanDerWaalsContact C-N 3.35Å; E407-A409 PolarHBondContact O-N 2.94Å; A409-A412 PolarHBondContact O-N 3.46Å; A409-L413 WeakPolarHBondContact O-CB 3.35Å; A409-L413 WeakPolarHBondContact O-CG 3.24Å; A409-L413 PolarHBondContact O-N 2.88Å; A409-P444 HydrophobicContact CB-CB 4.28Å |
| 410 | E | 86.8 | Confident | 83.2 | Confident | 74 Ų | 74 | 72.7 Ų | 72.7 | 35% | 0.346 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65 | -42.3 | 173.9 | -77 | 173.9 | -171.1 | 0 | 0 | 111.7 | R406 E407 L413 V414 | R406-E410 IonicContact CZ-OE1 2.87Å; R406-E410 IonicContact CZ-OE2 2.65Å; R406-E410 IonicContact NE-OE1 2.66Å; R406-E410 PolarHBondContact NE-OE1 3.34Å; R406-E410 IonicContact NE-OE2 3.65Å; R406-E410 VanDerWaalsContact NH2-CD 3.28Å; R406-E410 IonicContact NH2-OE1 2.89Å; R406-E410 PolarHBondContact NH2-OE1 3.44Å; R406-E410 IonicContact NH2-OE2 3.26Å; R406-E410 PolarHBondContact NH2-OE2 3.09Å; R406-E410 WeakPolarHBondContact O-CB 3.35Å; R406-E410 WeakPolarHBondContact O-CG 3.42Å; R406-E410 PolarHBondContact O-N 2.85Å; E407-E410 PolarHBondContact O-N 3.41Å; E410-L413 PolarHBondContact O-N 2.87Å; E410-V414 PolarHBondContact O-N 3.22Å |
| 411 | V | 89 | Confident | 83.3 | Confident | 85 Ų | 85 | 67.5 Ų | 67.5 | 52% | 0.515 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 174.2 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | E407 A408 V414 K415 | E407-V411 WeakPolarHBondContact O-CG2 3.28Å; E407-V411 PolarHBondContact O-N 3.13Å; A408-V411 PolarHBondContact O-N 3.48Å; V411-V414 PolarHBondContact O-N 3.28Å; V411-K415 PolarHBondContact O-N 3.1Å |
| 412 | A | 86.8 | Confident | 83.1 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 3% | 0.025 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L391 A408 A409 V414 K415 V416 L441 P444 | L391-A412 HydrophobicContact CD1-CB 3.78Å; L391-A412 HydrophobicContact CD2-CB 3.81Å; L391-A412 HydrophobicContact CG-CB 4.47Å; A408-A412 WeakPolarHBondContact O-CB 3.35Å; A408-A412 PolarHBondContact O-N 2.91Å; A409-A412 PolarHBondContact O-N 3.46Å; A412-V414 VanDerWaalsContact C-N 3.32Å; A412-V414 PolarHBondContact O-N 3.28Å; A412-K415 PolarHBondContact O-N 3.49Å; A412-K415 VanDerWaalsContact O-N 3.15Å; A412-V416 WeakPolarHBondContact O-CG2 3.37Å; A412-V416 PolarHBondContact O-N 3.37Å; A412-L441 HydrophobicContact CB-CD2 4.07Å; A412-P444 HydrophobicContact CB-CG 3.87Å |
| 413 | L | 86.4 | Confident | 82.3 | Confident | 39 Ų | 39 | 68.5 Ų | 68.5 | 20% | 0.204 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.9 | -41 | 175.7 | -84.2 | 164.8 | 0 | 0 | 0 | 112.5 | L391 A409 E410 R417 | L391-L413 HydrophobicContact CB-CD1 4.19Å; L391-L413 HydrophobicContact CB-CD2 3.82Å; L391-L413 HydrophobicContact CB-CG 3.68Å; L391-L413 HydrophobicContact CD1-CD2 4.23Å; L391-L413 HydrophobicContact CD1-CG 4.11Å; A409-L413 WeakPolarHBondContact O-CB 3.35Å; A409-L413 WeakPolarHBondContact O-CG 3.24Å; A409-L413 PolarHBondContact O-N 2.88Å; E410-L413 PolarHBondContact O-N 2.87Å; L413-R417 VanDerWaalsContact O-CB 3.3Å; L413-R417 WeakPolarHBondContact O-CB 3.28Å; L413-R417 PolarHBondContact O-N 2.77Å |
| 414 | V | 86.9 | Confident | 81.6 | Confident | 86 Ų | 86 | 66.5 Ų | 66.5 | 52% | 0.521 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 174.9 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | E410 V411 A412 R417 N418 | E410-V414 PolarHBondContact O-N 3.22Å; V411-V414 PolarHBondContact O-N 3.28Å; A412-V414 VanDerWaalsContact C-N 3.32Å; A412-V414 PolarHBondContact O-N 3.28Å; V414-R417 PolarHBondContact O-N 2.82Å; V414-N418 VanDerWaalsContact O-CG 3.31Å; V414-N418 PolarHBondContact O-N 3.25Å; V414-N418 PolarHBondContact O-OD1 2.98Å |
| 415 | K | 86.3 | Confident | 80.7 | Confident | 62 Ų | 62 | 68.9 Ų | 68.9 | 27% | 0.27 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 179.6 | -67.6 | 177.8 | 179.8 | -173.3 | 0 | 112.4 | V411 A412 R417 N418 V419 E440 L441 | V411-K415 PolarHBondContact O-N 3.1Å; A412-K415 PolarHBondContact O-N 3.49Å; A412-K415 VanDerWaalsContact O-N 3.15Å; K415-R417 VanDerWaalsContact C-N 3.33Å; K415-R417 PolarHBondContact O-N 3.46Å; K415-N418 PolarHBondContact O-N 2.83Å; K415-V419 PolarHBondContact O-N 2.73Å; K415-E440 IonicContact NZ-OE1 3.87Å; K415-E440 PolarHBondContact NZ-OE1 3.07Å; K415-E440 IonicContact NZ-OE2 3.76Å; K415-E440 PolarHBondContact NZ-OE2 3.12Å; K415-L441 HydrophobicContact CB-CD2 4.09Å |
| 416 | V | 83.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 175.1 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | I384 L387 L391 A412 N418 V419 N420 L441 | I384-V416 HydrophobicContact CG2-CG1 3.96Å; L387-V416 HydrophobicContact CD2-CG1 4.37Å; L387-V416 HydrophobicContact CD2-CG2 3.65Å; L387-V416 HydrophobicContact CG-CG2 4.08Å; L391-V416 HydrophobicContact CD1-CG2 4.07Å; A412-V416 WeakPolarHBondContact O-CG2 3.37Å; A412-V416 PolarHBondContact O-N 3.37Å; V416-N418 PolarHBondContact O-N 3.43Å; V416-V419 PolarHBondContact O-N 3.21Å; V416-N420 WeakPolarHBondContact O-CB 3.38Å; V416-N420 PolarHBondContact O-N 2.68Å; V416-N420 VanDerWaalsContact O-N 3.12Å; V416-L441 HydrophobicContact CG2-CD1 4.35Å; V416-L441 HydrophobicContact CG2-CD2 3.74Å |
| 417 | R | 83.3 | Confident | 79.4 | Confident | 192 Ų | 192 | 72.3 Ų | 72.3 | 73% | 0.725 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.2 | -41.5 | 178.3 | -165.5 | 177.2 | -162.5 | 162.3 | 5.8 | 112.4 | L413 V414 K415 N420 S421 | L413-R417 VanDerWaalsContact O-CB 3.3Å; L413-R417 WeakPolarHBondContact O-CB 3.28Å; L413-R417 PolarHBondContact O-N 2.77Å; V414-R417 PolarHBondContact O-N 2.82Å; K415-R417 VanDerWaalsContact C-N 3.33Å; K415-R417 PolarHBondContact O-N 3.46Å; R417-N420 WeakPolarHBondContact O-CB 3.35Å; R417-N420 PolarHBondContact O-N 3.22Å; R417-S421 PolarHBondContact O-N 2.94Å; R417-S421 PolarHBondContact O-OG 2.84Å |
| 418 | N | 82 | Confident | 78.9 | Confident | 77 Ų | 77 | 71.9 Ų | 71.9 | 41% | 0.412 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 178.7 | -67.5 | 4.5 | 0 | 0 | 0 | 111.7 | V414 K415 V416 N420 S421 E422 | V414-N418 VanDerWaalsContact O-CG 3.31Å; V414-N418 PolarHBondContact O-N 3.25Å; V414-N418 PolarHBondContact O-OD1 2.98Å; K415-N418 PolarHBondContact O-N 2.83Å; V416-N418 PolarHBondContact O-N 3.43Å; N418-N420 VanDerWaalsContact C-N 3.32Å; N418-N420 PolarHBondContact O-N 2.97Å; N418-S421 WeakPolarHBondContact CA-OG 3.34Å; N418-S421 PolarHBondContact O-N 2.62Å; N418-S421 PolarHBondContact O-OG 3.43Å; N418-E422 WeakPolarHBondContact O-CB 3.46Å; N418-E422 WeakPolarHBondContact O-CG 3.32Å; N418-E422 PolarHBondContact O-N 3.2Å |
| 419 | V | 79.3 | Confident | 78.6 | Confident | 9 Ų | 9 | 72.5 Ų | 72.5 | 6% | 0.055 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 174.9 | 178.4 | 0 | 0 | 0 | 0 | 111.4 | K415 V416 S421 K423 A430 A433 L434 L437 | K415-V419 PolarHBondContact O-N 2.73Å; V416-V419 PolarHBondContact O-N 3.21Å; V419-S421 VanDerWaalsContact C-N 3.32Å; V419-S421 PolarHBondContact O-N 2.67Å; V419-K423 PolarHBondContact O-N 3.16Å; V419-A430 HydrophobicContact CG1-CB 4.12Å; V419-A433 HydrophobicContact CG1-CB 4.45Å; V419-A433 HydrophobicContact CG2-CB 4.42Å; V419-L434 HydrophobicContact CB-CD2 4.4Å; V419-L434 HydrophobicContact CG1-CD2 4.23Å; V419-L434 HydrophobicContact CG1-CG 4.19Å; V419-L434 HydrophobicContact CG2-CD2 4.33Å; V419-L437 HydrophobicContact CG2-CD1 4Å |
| 420 | N | 75.3 | Confident | 78.2 | Confident | 50 Ų | 50 | 72.5 Ų | 72.5 | 27% | 0.267 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66 | -29.2 | 177.1 | -164 | 3.6 | 0 | 0 | 0 | 113 | I384 V416 R417 N418 M424 | I384-N420 HydrophobicContact CG2-CB 3.96Å; V416-N420 WeakPolarHBondContact O-CB 3.38Å; V416-N420 PolarHBondContact O-N 2.68Å; V416-N420 VanDerWaalsContact O-N 3.12Å; R417-N420 WeakPolarHBondContact O-CB 3.35Å; R417-N420 PolarHBondContact O-N 3.22Å; N418-N420 VanDerWaalsContact C-N 3.32Å; N418-N420 PolarHBondContact O-N 2.97Å; N420-M424 WeakPolarHBondContact O-CB 3.49Å; N420-M424 VanDerWaalsContact OD1-CE 3.25Å; N420-M424 WeakPolarHBondContact OD1-CE 3.31Å |
| 421 | S | 71.7 | Confident | 78 | Confident | 92 Ų | 92 | 70.3 Ų | 70.3 | 64% | 0.643 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -84.8 | -36.2 | 174.6 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | R417 N418 V419 | R417-S421 PolarHBondContact O-N 2.94Å; R417-S421 PolarHBondContact O-OG 2.84Å; N418-S421 WeakPolarHBondContact CA-OG 3.34Å; N418-S421 PolarHBondContact O-N 2.62Å; N418-S421 PolarHBondContact O-OG 3.43Å; V419-S421 VanDerWaalsContact C-N 3.32Å; V419-S421 PolarHBondContact O-N 2.67Å |
| 422 | E | 67.6 | Low | 77.7 | Confident | 144 Ų | 144 | 70.5 Ų | 70.5 | 67% | 0.673 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -94.9 | -37.5 | -169.1 | -68 | 179.8 | 172.3 | 0 | 0 | 114.4 | N418 | N418-E422 WeakPolarHBondContact O-CB 3.46Å; N418-E422 WeakPolarHBondContact O-CG 3.32Å; N418-E422 PolarHBondContact O-N 3.2Å |
| 423 | K | 66.4 | Low | 77.6 | Confident | 91 Ų | 91 | 70.7 Ų | 70.7 | 40% | 0.396 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -2.7 | -164.8 | -62.1 | -175.8 | -178.8 | -179.7 | 0 | 114.5 | V419 Q425 Q426 A430 A433 | V419-K423 PolarHBondContact O-N 3.16Å; K423-Q425 PolarHBondContact O-N 3.38Å; K423-Q425 VanDerWaalsContact O-N 3.07Å; K423-Q426 PolarHBondContact O-N 2.99Å; K423-A430 HydrophobicContact CB-CB 4.13Å; K423-A433 HydrophobicContact CD-CB 3.83Å |
| 424 | M | 67 | Low | 77.5 | Confident | 37 Ų | 37 | 68.8 Ų | 68.8 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.7 | -169.5 | -156.7 | 65 | 156 | 0 | 0 | 115.3 | K381 I384 N420 Q426 | K381-M424 HydrophobicContact CB-CE 3.59Å; K381-M424 HydrophobicContact CD-CE 3.93Å; K381-M424 HydrophobicContact CG-CE 3.57Å; I384-M424 HydrophobicContact CD1-CE 3.96Å; I384-M424 HydrophobicContact CD1-SD 3.74Å; N420-M424 WeakPolarHBondContact O-CB 3.49Å; N420-M424 VanDerWaalsContact OD1-CE 3.25Å; N420-M424 WeakPolarHBondContact OD1-CE 3.31Å; M424-Q426 PolarHBondContact O-N 2.86Å |
| 425 | Q | 66.4 | Low | 77.4 | Confident | 198 Ų | 198 | 67 Ų | 67 | 93% | 0.925 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -14.1 | 174.8 | -66.1 | -176.1 | -5.6 | 0 | 0 | 113.3 | K423 | K423-Q425 PolarHBondContact O-N 3.38Å; K423-Q425 VanDerWaalsContact O-N 3.07Å |
| 426 | Q | 73.4 | Confident | 77.3 | Confident | 138 Ų | 138 | 69.8 Ų | 69.8 | 65% | 0.645 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -132.9 | 101.8 | 176.5 | -69.8 | -179.9 | -2.5 | 0 | 0 | 109.6 | K423 M424 T428 A429 A430 | K423-Q426 PolarHBondContact O-N 2.99Å; M424-Q426 PolarHBondContact O-N 2.86Å; Q426-T428 VanDerWaalsContact C-N 3.27Å; Q426-T428 PolarHBondContact O-N 3.49Å; Q426-A429 HydrophobicContact CB-CB 3.82Å; Q426-A429 PolarHBondContact O-N 2.79Å; Q426-A430 PolarHBondContact O-N 3.49Å |
| 427 | A | 71 | Confident | 77.4 | Confident | 13 Ų | 13 | 71.9 Ų | 71.9 | 11% | 0.107 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -51 | -45.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N376 V377 V380 A429 A430 M431 | N376-A427 HydrophobicContact CB-CB 4.11Å; V377-A427 HydrophobicContact CG2-CB 3.91Å; V380-A427 HydrophobicContact CG2-CB 4.23Å; A427-A429 PolarHBondContact O-N 2.73Å; A427-A430 PolarHBondContact O-N 3.36Å; A427-M431 VanDerWaalsContact O-CB 3.27Å; A427-M431 WeakPolarHBondContact O-CB 3.36Å; A427-M431 PolarHBondContact O-N 3.02Å |
| 428 | T | 75.3 | Confident | 77.6 | Confident | 98 Ų | 98 | 62.8 Ų | 62.8 | 60% | 0.601 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.3 | -38.3 | 178.8 | -38.2 | 0 | 0 | 0 | 0 | 112.8 | Q426 M431 N432 | Q426-T428 VanDerWaalsContact C-N 3.27Å; Q426-T428 PolarHBondContact O-N 3.49Å; T428-M431 PolarHBondContact O-N 3.44Å; T428-N432 WeakPolarHBondContact O-CB 3.4Å; T428-N432 PolarHBondContact O-N 2.9Å; T428-N432 PolarHBondContact O-OD1 2.93Å |
| 429 | A | 78.7 | Confident | 77.7 | Confident | 34 Ų | 34 | 61.4 Ų | 61.4 | 28% | 0.281 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -74.9 | -37 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q426 A427 A433 | Q426-A429 HydrophobicContact CB-CB 3.82Å; Q426-A429 PolarHBondContact O-N 2.79Å; A427-A429 PolarHBondContact O-N 2.73Å; A429-A433 WeakPolarHBondContact O-CB 3.32Å; A429-A433 PolarHBondContact O-N 3.32Å |
| 430 | A | 79.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V380 V419 K423 Q426 A427 A433 L434 | V380-A430 HydrophobicContact CG1-CB 4.33Å; V419-A430 HydrophobicContact CG1-CB 4.12Å; K423-A430 HydrophobicContact CB-CB 4.13Å; Q426-A430 PolarHBondContact O-N 3.49Å; A427-A430 PolarHBondContact O-N 3.36Å; A430-A433 PolarHBondContact O-N 3.47Å; A430-L434 WeakPolarHBondContact O-CG 3.45Å; A430-L434 PolarHBondContact O-N 2.98Å; A430-L434 VanDerWaalsContact O-N 3.11Å |
| 431 | M | 82.9 | Confident | 78.7 | Confident | 29 Ų | 29 | 62.9 Ų | 62.9 | 14% | 0.143 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.7 | -43.5 | -177.6 | -161.6 | 63.1 | -178.9 | 0 | 0 | 112.9 | V380 F383 A427 T428 A433 L434 I435 N470 C472 | V380-M431 HydrophobicContact CG1-SD 4.46Å; V380-M431 HydrophobicContact CG2-CB 4.35Å; V380-M431 HydrophobicContact CG2-CG 4.49Å; V380-M431 HydrophobicContact CG2-SD 4.07Å; F383-M431 HydrophobicContact CD1-CE 4.34Å; F383-M431 HydrophobicContact CD1-SD 4.37Å; F383-M431 HydrophobicContact CE1-CE 4.37Å; A427-M431 VanDerWaalsContact O-CB 3.27Å; A427-M431 WeakPolarHBondContact O-CB 3.36Å; A427-M431 PolarHBondContact O-N 3.02Å; T428-M431 PolarHBondContact O-N 3.44Å; M431-A433 VanDerWaalsContact C-N 3.31Å; M431-A433 PolarHBondContact O-N 3.48Å; M431-L434 PolarHBondContact O-N 3.08Å; M431-L434 VanDerWaalsContact O-N 3.12Å; M431-L434 HydrophobicContact SD-CD1 4.35Å; M431-I435 HydrophobicContact CG-CD1 4.48Å; M431-I435 WeakPolarHBondContact O-CG1 3.5Å; M431-I435 PolarHBondContact O-N 3.43Å; M431-N470 HydrophobicContact CE-CB 3.8Å; M431-N470 WeakPolarHBondContact CE-O 3.37Å; M431-C472 HydrophobicContact CE-CB 3.66Å |
| 432 | N | 82.5 | Confident | 79.6 | Confident | 88 Ų | 88 | 58.6 Ų | 58.6 | 47% | 0.471 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 174 | -71.5 | -8.5 | 0 | 0 | 0 | 111.3 | T428 L434 I435 D436 | T428-N432 WeakPolarHBondContact O-CB 3.4Å; T428-N432 PolarHBondContact O-N 2.9Å; T428-N432 PolarHBondContact O-OD1 2.93Å; N432-L434 VanDerWaalsContact C-N 3.29Å; N432-L434 PolarHBondContact O-N 3.3Å; N432-I435 WeakPolarHBondContact O-CB 3.29Å; N432-I435 PolarHBondContact O-N 3.29Å; N432-I435 VanDerWaalsContact O-N 3.1Å; N432-D436 PolarHBondContact O-N 3.17Å |
| 433 | A | 84 | Confident | 80.7 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -32.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V419 K423 A429 A430 M431 L437 | V419-A433 HydrophobicContact CG1-CB 4.45Å; V419-A433 HydrophobicContact CG2-CB 4.42Å; K423-A433 HydrophobicContact CD-CB 3.83Å; A429-A433 WeakPolarHBondContact O-CB 3.32Å; A429-A433 PolarHBondContact O-N 3.32Å; A430-A433 PolarHBondContact O-N 3.47Å; M431-A433 VanDerWaalsContact C-N 3.31Å; M431-A433 PolarHBondContact O-N 3.48Å; A433-L437 WeakPolarHBondContact O-CB 3.39Å; A433-L437 WeakPolarHBondContact O-CD1 3.34Å; A433-L437 VanDerWaalsContact O-CG 3.3Å; A433-L437 WeakPolarHBondContact O-CG 3.48Å; A433-L437 PolarHBondContact O-N 3.47Å; A433-L437 VanDerWaalsContact O-N 3.11Å |
| 434 | L | 84.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.8 | -30.1 | 173.8 | -65.5 | 170.4 | 0 | 0 | 0 | 112.7 | F383 I384 V419 A430 M431 N432 S438 L441 C472 | F383-L434 HydrophobicContact CD1-CD1 4.24Å; F383-L434 HydrophobicContact CE1-CD1 4.17Å; I384-L434 HydrophobicContact CD1-CD1 4.09Å; I384-L434 HydrophobicContact CG1-CD1 3.84Å; V419-L434 HydrophobicContact CB-CD2 4.4Å; V419-L434 HydrophobicContact CG1-CD2 4.23Å; V419-L434 HydrophobicContact CG1-CG 4.19Å; V419-L434 HydrophobicContact CG2-CD2 4.33Å; A430-L434 WeakPolarHBondContact O-CG 3.45Å; A430-L434 PolarHBondContact O-N 2.98Å; A430-L434 VanDerWaalsContact O-N 3.11Å; M431-L434 PolarHBondContact O-N 3.08Å; M431-L434 VanDerWaalsContact O-N 3.12Å; M431-L434 HydrophobicContact SD-CD1 4.35Å; N432-L434 VanDerWaalsContact C-N 3.29Å; N432-L434 PolarHBondContact O-N 3.3Å; L434-S438 WeakPolarHBondContact O-CA 3.41Å; L434-S438 WeakPolarHBondContact O-CB 3.25Å; L434-S438 PolarHBondContact O-N 2.91Å; L434-L441 HydrophobicContact CD2-CD1 3.84Å; L434-C472 WeakPolarHBondContact CB-SG 3.33Å |
| 435 | I | 84.1 | Confident | 83 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 24% | 0.241 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.2 | -44.6 | 172.2 | -68.7 | 162.2 | 0 | 0 | 0 | 110.6 | M431 N432 L437 S438 N474 | M431-I435 HydrophobicContact CG-CD1 4.48Å; M431-I435 WeakPolarHBondContact O-CG1 3.5Å; M431-I435 PolarHBondContact O-N 3.43Å; N432-I435 WeakPolarHBondContact O-CB 3.29Å; N432-I435 PolarHBondContact O-N 3.29Å; N432-I435 VanDerWaalsContact O-N 3.1Å; I435-L437 VanDerWaalsContact C-N 3.32Å; I435-L437 PolarHBondContact O-N 3.21Å; I435-S438 WeakPolarHBondContact O-CB 3.29Å; I435-S438 PolarHBondContact O-N 3.1Å; I435-S438 VanDerWaalsContact O-N 3.16Å; I435-S438 PolarHBondContact O-OG 2.9Å; I435-N474 HydrophobicContact CG2-CB 4.39Å; I435-N474 PolarHBondContact O-ND2 3.16Å; I435-N474 VanDerWaalsContact O-ND2 3.1Å |
| 436 | D | 84.4 | Confident | 84.2 | Confident | 121 Ų | 121 | 40.9 Ų | 40.9 | 65% | 0.647 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -60.7 | -43.8 | 176.2 | -66 | -30.9 | 0 | 0 | 0 | 111 | N432 S438 N474 | N432-D436 PolarHBondContact O-N 3.17Å; D436-S438 VanDerWaalsContact C-N 3.3Å; D436-S438 PolarHBondContact O-N 2.97Å; D436-N474 PolarHBondContact O-ND2 3.34Å |
| 437 | L | 86.8 | Confident | 84.9 | Confident | 45 Ų | 45 | 37.6 Ų | 37.6 | 24% | 0.236 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -3.2 | 177.1 | -71.4 | 167.4 | 0 | 0 | 0 | 114.5 | V419 A433 I435 S439 E440 L441 | V419-L437 HydrophobicContact CG2-CD1 4Å; A433-L437 WeakPolarHBondContact O-CB 3.39Å; A433-L437 WeakPolarHBondContact O-CD1 3.34Å; A433-L437 VanDerWaalsContact O-CG 3.3Å; A433-L437 WeakPolarHBondContact O-CG 3.48Å; A433-L437 PolarHBondContact O-N 3.47Å; A433-L437 VanDerWaalsContact O-N 3.11Å; I435-L437 VanDerWaalsContact C-N 3.32Å; I435-L437 PolarHBondContact O-N 3.21Å; L437-S439 VanDerWaalsContact C-N 3.28Å; L437-S439 PolarHBondContact O-N 3.03Å; L437-S439 VanDerWaalsContact O-N 3.15Å; L437-E440 WeakPolarHBondContact CD2-OE2 3.12Å; L437-E440 PolarHBondContact O-N 3.48Å; L437-L441 HydrophobicContact CB-CD1 3.78Å; L437-L441 HydrophobicContact CB-CG 4.03Å; L437-L441 WeakPolarHBondContact O-CG 3.45Å; L437-L441 PolarHBondContact O-N 3.35Å |
| 438 | S | 86.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.6 | -30.6 | -164 | 77.7 | 0 | 0 | 0 | 0 | 114 | L434 I435 D436 E440 L441 V442 C472 N474 S477 | L434-S438 WeakPolarHBondContact O-CA 3.41Å; L434-S438 WeakPolarHBondContact O-CB 3.25Å; L434-S438 PolarHBondContact O-N 2.91Å; I435-S438 WeakPolarHBondContact O-CB 3.29Å; I435-S438 PolarHBondContact O-N 3.1Å; I435-S438 VanDerWaalsContact O-N 3.16Å; I435-S438 PolarHBondContact O-OG 2.9Å; D436-S438 VanDerWaalsContact C-N 3.3Å; D436-S438 PolarHBondContact O-N 2.97Å; S438-E440 VanDerWaalsContact C-N 3.34Å; S438-L441 PolarHBondContact O-N 2.87Å; S438-V442 VanDerWaalsContact O-CB 3.23Å; S438-V442 WeakPolarHBondContact O-CB 3.28Å; S438-V442 WeakPolarHBondContact O-CG2 3.42Å; S438-V442 PolarHBondContact O-N 3.45Å; S438-C472 WeakPolarHBondContact CB-O 3.49Å; S438-N474 PolarHBondContact OG-N 3.4Å; S438-N474 PolarHBondContact OG-ND2 2.98Å; S438-N474 PolarHBondContact OG-OD1 3.31Å; S438-S477 WeakPolarHBondContact OG-CB 3.46Å; S438-S477 PolarHBondContact OG-OG 3.18Å |
| 439 | S | 84.3 | Confident | 86.4 | Confident | 49 Ų | 49 | 32.3 Ų | 32.3 | 34% | 0.343 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.2 | -35.5 | 175 | 42.6 | 0 | 0 | 0 | 0 | 112.9 | L437 | L437-S439 VanDerWaalsContact C-N 3.28Å; L437-S439 PolarHBondContact O-N 3.03Å; L437-S439 VanDerWaalsContact O-N 3.15Å |
| 440 | E | 87.1 | Confident | 86.8 | Confident | 89 Ų | 89 | 35 Ų | 35 | 42% | 0.416 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -81.1 | -35.1 | 176.8 | -54.4 | -170.3 | 135.7 | 0 | 0 | 112.1 | K415 L437 S438 | K415-E440 IonicContact NZ-OE1 3.87Å; K415-E440 PolarHBondContact NZ-OE1 3.07Å; K415-E440 IonicContact NZ-OE2 3.76Å; K415-E440 PolarHBondContact NZ-OE2 3.12Å; L437-E440 WeakPolarHBondContact CD2-OE2 3.12Å; L437-E440 PolarHBondContact O-N 3.48Å; S438-E440 VanDerWaalsContact C-N 3.34Å |
| 441 | L | 89.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -76.8 | -25.9 | -179.6 | -65 | 176.7 | 0 | 0 | 0 | 113.4 | A412 K415 V416 L434 L437 S438 P444 F467 | A412-L441 HydrophobicContact CB-CD2 4.07Å; K415-L441 HydrophobicContact CB-CD2 4.09Å; V416-L441 HydrophobicContact CG2-CD1 4.35Å; V416-L441 HydrophobicContact CG2-CD2 3.74Å; L434-L441 HydrophobicContact CD2-CD1 3.84Å; L437-L441 HydrophobicContact CB-CD1 3.78Å; L437-L441 HydrophobicContact CB-CG 4.03Å; L437-L441 WeakPolarHBondContact O-CG 3.45Å; L437-L441 PolarHBondContact O-N 3.35Å; S438-L441 PolarHBondContact O-N 2.87Å; L441-P444 WeakPolarHBondContact O-CD 3.41Å; L441-F467 HydrophobicContact CB-CE1 4.11Å; L441-F467 HydrophobicContact CB-CZ 3.79Å |
| 442 | V | 89.7 | Confident | 87.3 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -81.7 | -24.9 | 175 | 167.8 | 0 | 0 | 0 | 0 | 112.3 | S438 P444 F445 T446 I464 F467 I481 | S438-V442 VanDerWaalsContact O-CB 3.23Å; S438-V442 WeakPolarHBondContact O-CB 3.28Å; S438-V442 WeakPolarHBondContact O-CG2 3.42Å; S438-V442 PolarHBondContact O-N 3.45Å; V442-P444 VanDerWaalsContact C-CD 3.43Å; V442-F445 WeakPolarHBondContact O-CB 3.32Å; V442-F445 PolarHBondContact O-N 2.97Å; V442-T446 HydrophobicContact CG1-CG2 3.93Å; V442-T446 PolarHBondContact O-N 2.9Å; V442-I464 HydrophobicContact CG1-CG1 4.46Å; V442-F467 HydrophobicContact CG2-CD1 4.16Å; V442-F467 HydrophobicContact CG2-CD2 3.99Å; V442-F467 HydrophobicContact CG2-CE1 4.31Å; V442-F467 HydrophobicContact CG2-CE2 4.13Å; V442-F467 HydrophobicContact CG2-CG 4.01Å; V442-F467 HydrophobicContact CG2-CZ 4.3Å; V442-I481 HydrophobicContact CG1-CD1 4.15Å; V442-I481 HydrophobicContact CG1-CG1 3.82Å; V442-I481 HydrophobicContact CG2-CD1 4.48Å |
| 443 | L | 90.4 | Very high | 87.5 | Confident | 83 Ų | 83 | 40 Ų | 40 | 44% | 0.435 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -52.1 | -43.7 | -176.2 | -176.3 | 63.9 | 0 | 0 | 0 | 115.2 | F445 T446 M447 | L443-F445 VanDerWaalsContact C-N 3.27Å; L443-F445 PolarHBondContact O-N 2.92Å; L443-T446 WeakPolarHBondContact CA-OG1 3.22Å; L443-T446 PolarHBondContact O-N 3.11Å; L443-T446 PolarHBondContact O-OG1 2.94Å; L443-M447 HydrophobicContact CD1-CE 4.13Å; L443-M447 HydrophobicContact CD2-CE 4.38Å; L443-M447 HydrophobicContact CG-CE 4.15Å; L443-M447 WeakPolarHBondContact O-CG 3.23Å; L443-M447 PolarHBondContact O-N 3.13Å |
| 444 | P | 90.2 | Very high | 87.5 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.013 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -35.8 | 178.2 | -18.5 | 31.4 | 0 | 0 | 0 | 112 | L391 L394 A408 A409 A412 L441 V442 M447 G448 | L391-P444 HydrophobicContact CD2-CB 4.31Å; L391-P444 HydrophobicContact CD2-CG 4.23Å; L394-P444 HydrophobicContact CD2-CB 3.92Å; A408-P444 HydrophobicContact CB-CB 4Å; A408-P444 HydrophobicContact CB-CG 3.98Å; A408-P444 WeakPolarHBondContact O-CG 3.5Å; A409-P444 HydrophobicContact CB-CB 4.28Å; A412-P444 HydrophobicContact CB-CG 3.87Å; L441-P444 WeakPolarHBondContact O-CD 3.41Å; V442-P444 VanDerWaalsContact C-CD 3.43Å; P444-M447 PolarHBondContact O-N 3.14Å; P444-G448 PolarHBondContact O-N 3.22Å |
| 445 | F | 92.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -73.9 | -37.1 | 178.8 | -59.2 | -65 | 0 | 0 | 0 | 111.8 | L387 D390 L391 L394 V442 L443 M447 G448 C449 S460 A463 I464 F467 | L387-F445 HydrophobicContact CD1-CE2 3.81Å; L387-F445 HydrophobicContact CD1-CZ 4.06Å; D390-F445 HydrophobicContact CB-CE1 4.01Å; D390-F445 HydrophobicContact CB-CZ 3.9Å; L391-F445 HydrophobicContact CD2-CD2 4.45Å; L391-F445 HydrophobicContact CD2-CE1 4.15Å; L391-F445 HydrophobicContact CD2-CE2 3.54Å; L391-F445 HydrophobicContact CD2-CZ 3.38Å; L391-F445 HydrophobicContact CG-CE2 4.07Å; L391-F445 HydrophobicContact CG-CZ 3.67Å; L394-F445 HydrophobicContact CB-CE1 4.42Å; L394-F445 HydrophobicContact CD2-CD1 3.72Å; L394-F445 HydrophobicContact CD2-CE1 3.93Å; L394-F445 HydrophobicContact CD2-CG 4.5Å; V442-F445 WeakPolarHBondContact O-CB 3.32Å; V442-F445 PolarHBondContact O-N 2.97Å; L443-F445 VanDerWaalsContact C-N 3.27Å; L443-F445 PolarHBondContact O-N 2.92Å; F445-M447 VanDerWaalsContact C-N 3.35Å; F445-M447 PolarHBondContact O-N 3.32Å; F445-G448 CarbonylContact O-C 3.57Å; F445-G448 WeakPolarHBondContact O-CA 3.23Å; F445-G448 PolarHBondContact O-N 2.96Å; F445-G448 VanDerWaalsContact O-N 3.15Å; F445-C449 PolarHBondContact O-N 3.24Å; F445-C449 PolarHBondContact O-SG 3.33Å; F445-S460 WeakPolarHBondContact O-CB 3.18Å; F445-S460 PolarHBondContact O-OG 3.35Å; F445-A463 HydrophobicContact CD1-CB 3.54Å; F445-A463 HydrophobicContact CD2-CB 4.08Å; F445-A463 HydrophobicContact CE1-CB 3.29Å; F445-A463 HydrophobicContact CE2-CB 3.87Å; F445-A463 HydrophobicContact CG-CB 3.91Å; F445-A463 HydrophobicContact CZ-CB 3.45Å; F445-A463 VanDerWaalsContact CZ-CB 3.45Å; F445-I464 HydrophobicContact CB-CD1 4.01Å; F445-I464 HydrophobicContact CB-CG1 3.95Å; F445-F467 HydrophobicContact CD2-CE2 4.17Å; F445-F467 AromaticContact CE2-CE2 3.89Å; F445-F467 HydrophobicContact CE2-CE2 3.89Å |
| 446 | T | 90.3 | Very high | 87.8 | Confident | 14 Ų | 14 | 48.2 Ų | 48.2 | 9% | 0.086 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.1 | -40 | 171.9 | 47.6 | 0 | 0 | 0 | 0 | 111.8 | V442 L443 G448 C449 D450 C484 | V442-T446 HydrophobicContact CG1-CG2 3.93Å; V442-T446 PolarHBondContact O-N 2.9Å; L443-T446 WeakPolarHBondContact CA-OG1 3.22Å; L443-T446 PolarHBondContact O-N 3.11Å; L443-T446 PolarHBondContact O-OG1 2.94Å; T446-G448 VanDerWaalsContact C-N 3.31Å; T446-G448 PolarHBondContact O-N 3.48Å; T446-C449 WeakPolarHBondContact O-CB 3.46Å; T446-C449 PolarHBondContact O-N 3.14Å; T446-C449 VanDerWaalsContact O-N 3.16Å; T446-D450 PolarHBondContact O-N 3.21Å; T446-C484 HydrophobicContact CG2-CB 3.84Å |
| 447 | M | 89 | Confident | 88.1 | Confident | 69 Ų | 69 | 42.4 Ų | 42.4 | 34% | 0.34 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.5 | -36 | 171.1 | -64.8 | 178.1 | 168.9 | 0 | 0 | 112.3 | I405 A408 L443 P444 F445 C449 D450 S451 | I405-M447 HydrophobicContact CD1-CB 4.46Å; I405-M447 WeakPolarHBondContact CD1-O 3.49Å; I405-M447 HydrophobicContact CG1-CB 3.94Å; A408-M447 HydrophobicContact CB-SD 4.18Å; L443-M447 HydrophobicContact CD1-CE 4.13Å; L443-M447 HydrophobicContact CD2-CE 4.38Å; L443-M447 HydrophobicContact CG-CE 4.15Å; L443-M447 WeakPolarHBondContact O-CG 3.23Å; L443-M447 PolarHBondContact O-N 3.13Å; P444-M447 PolarHBondContact O-N 3.14Å; F445-M447 VanDerWaalsContact C-N 3.35Å; F445-M447 PolarHBondContact O-N 3.32Å; M447-C449 VanDerWaalsContact C-N 3.31Å; M447-C449 PolarHBondContact O-N 3.19Å; M447-D450 PolarHBondContact O-N 3.45Å; M447-S451 PolarHBondContact O-N 2.99Å; M447-S451 VanDerWaalsContact O-N 3.12Å |
| 448 | G | 88 | Confident | 88.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.6 | -39.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P444 F445 T446 S451 S460 | P444-G448 PolarHBondContact O-N 3.22Å; F445-G448 CarbonylContact O-C 3.57Å; F445-G448 WeakPolarHBondContact O-CA 3.23Å; F445-G448 PolarHBondContact O-N 2.96Å; F445-G448 VanDerWaalsContact O-N 3.15Å; T446-G448 VanDerWaalsContact C-N 3.31Å; T446-G448 PolarHBondContact O-N 3.48Å; G448-S451 WeakPolarHBondContact O-CB 3.36Å; G448-S451 PolarHBondContact O-OG 2.69Å; G448-S460 WeakPolarHBondContact CA-OG 3.25Å |
| 449 | C | 89.2 | Confident | 88.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.6 | -46.1 | 172.5 | -70.1 | 0 | 0 | 0 | 0 | 112.8 | F445 T446 M447 S451 R452 S460 C484 L488 | F445-C449 PolarHBondContact O-N 3.24Å; F445-C449 PolarHBondContact O-SG 3.33Å; T446-C449 WeakPolarHBondContact O-CB 3.46Å; T446-C449 PolarHBondContact O-N 3.14Å; T446-C449 VanDerWaalsContact O-N 3.16Å; M447-C449 VanDerWaalsContact C-N 3.31Å; M447-C449 PolarHBondContact O-N 3.19Å; C449-S451 PolarHBondContact O-N 2.84Å; C449-S451 VanDerWaalsContact O-N 3.11Å; C449-R452 PolarHBondContact O-N 3.22Å; C449-S460 VanDerWaalsContact SG-CB 3.56Å; C449-C484 WeakPolarHBondContact CB-SG 3.48Å; C449-C484 VanDerWaalsContact SG-SG 3.69Å; C449-L488 HydrophobicContact CB-CD1 3.96Å; C449-L488 HydrophobicContact CB-CD2 4.25Å; C449-L488 HydrophobicContact CB-CG 4.3Å |
| 450 | D | 87.6 | Confident | 88.7 | Confident | 89 Ų | 89 | 42 Ų | 42 | 48% | 0.476 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.8 | -18.4 | 179.9 | -74.2 | -40.1 | 0 | 0 | 0 | 113.4 | T446 M447 R452 S487 | T446-D450 PolarHBondContact O-N 3.21Å; M447-D450 PolarHBondContact O-N 3.45Å; D450-R452 PolarHBondContact O-N 2.99Å; D450-S487 PolarHBondContact OD1-OG 2.73Å |
| 451 | S | 87.4 | Confident | 89 | Confident | 19 Ų | 19 | 37.8 Ų | 37.8 | 13% | 0.133 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -20.2 | 169.4 | 81.8 | 0 | 0 | 0 | 0 | 114.5 | M447 G448 C449 L453 L456 | M447-S451 PolarHBondContact O-N 2.99Å; M447-S451 VanDerWaalsContact O-N 3.12Å; G448-S451 WeakPolarHBondContact O-CB 3.36Å; G448-S451 PolarHBondContact O-OG 2.69Å; C449-S451 PolarHBondContact O-N 2.84Å; C449-S451 VanDerWaalsContact O-N 3.11Å; S451-L453 PolarHBondContact O-N 2.75Å; S451-L453 PolarHBondContact OG-N 3.3Å; S451-L456 WeakPolarHBondContact OG-CB 3.31Å; S451-L456 WeakPolarHBondContact OG-CD1 3.33Å |
| 452 | R | 85.7 | Confident | 89.1 | Confident | 140 Ų | 140 | 39.4 Ų | 39.4 | 53% | 0.528 | 19% | 0.194 | S | C | . | . | trans | 54.7 | 8.6 | -176.4 | -60.3 | 179 | -174.5 | 179.8 | -0.4 | 116 | C449 D450 P454 V493 | C449-R452 PolarHBondContact O-N 3.22Å; D450-R452 PolarHBondContact O-N 2.99Å; R452-P454 WeakPolarHBondContact O-CD 3.39Å; R452-V493 HydrophobicContact CB-CG2 4.47Å | ||
| 453 | L | 87 | Confident | 89.1 | Confident | 65 Ų | 65 | 39.3 Ų | 39.3 | 34% | 0.34 | 19% | 0.193 | S | C | . | . | trans | -79.8 | 121.4 | 173.5 | -65.2 | -167.7 | 0 | 0 | 0 | 110 | K401 F402 S451 R455 L456 V457 | K401-L453 HydrophobicContact CD-CD1 4.13Å; F402-L453 HydrophobicContact CE2-CD1 3.76Å; F402-L453 HydrophobicContact CE2-CG 4.19Å; F402-L453 HydrophobicContact CZ-CD1 4.46Å; S451-L453 PolarHBondContact O-N 2.75Å; S451-L453 PolarHBondContact OG-N 3.3Å; L453-R455 PolarHBondContact O-N 2.76Å; L453-L456 HydrophobicContact CB-CB 4.41Å; L453-L456 HydrophobicContact CB-CD1 4.27Å; L453-L456 HydrophobicContact CB-CG 4.38Å; L453-L456 HydrophobicContact CD1-CD1 4.18Å; L453-L456 PolarHBondContact O-N 2.92Å; L453-V457 WeakPolarHBondContact O-CG2 3.36Å; L453-V457 PolarHBondContact O-N 3.4Å | ||
| 454 | P | 84 | Confident | 89.2 | Confident | 71 Ų | 71 | 35.4 Ų | 35.4 | 46% | 0.461 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -47.9 | -42.3 | -174.9 | -33.2 | 36.9 | 0 | 0 | 0 | 114.3 | R452 L456 V457 Q458 | R452-P454 WeakPolarHBondContact O-CD 3.39Å; P454-L456 PolarHBondContact O-N 3.49Å; P454-V457 PolarHBondContact O-N 3.34Å; P454-Q458 VanDerWaalsContact O-CB 3.25Å; P454-Q458 WeakPolarHBondContact O-CB 3.39Å; P454-Q458 WeakPolarHBondContact O-CG 3.4Å; P454-Q458 PolarHBondContact O-N 3.05Å |
| 455 | R | 85.5 | Confident | 89.3 | Confident | 146 Ų | 146 | 36.9 Ų | 36.9 | 55% | 0.551 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -62.6 | -43.5 | 178.2 | -172.9 | 58.1 | 169.3 | -173.8 | -1 | 113.8 | E397 L453 I459 | E397-R455 WeakPolarHBondContact OE1-CG 3.46Å; E397-R455 IonicContact OE1-CZ 2.6Å; E397-R455 IonicContact OE1-NE 2.67Å; E397-R455 PolarHBondContact OE1-NE 3.38Å; E397-R455 IonicContact OE1-NH2 3.71Å; L453-R455 PolarHBondContact O-N 2.76Å; R455-I459 HydrophobicContact CG-CD1 4.3Å; R455-I459 WeakPolarHBondContact O-CD1 3.08Å; R455-I459 WeakPolarHBondContact O-CG1 3.27Å; R455-I459 PolarHBondContact O-N 3.5Å |
| 456 | L | 88.7 | Confident | 89.1 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72.8 | -40.4 | 179.1 | -66.4 | 177 | 0 | 0 | 0 | 111.1 | L394 E397 F402 S451 L453 P454 I459 S460 | L394-L456 HydrophobicContact CD1-CD2 4.18Å; E397-L456 HydrophobicContact CB-CD2 3.63Å; F402-L456 HydrophobicContact CD2-CD1 3.68Å; F402-L456 HydrophobicContact CE2-CD1 3.8Å; S451-L456 WeakPolarHBondContact OG-CB 3.31Å; S451-L456 WeakPolarHBondContact OG-CD1 3.33Å; L453-L456 HydrophobicContact CB-CB 4.41Å; L453-L456 HydrophobicContact CB-CD1 4.27Å; L453-L456 HydrophobicContact CB-CG 4.38Å; L453-L456 HydrophobicContact CD1-CD1 4.18Å; L453-L456 PolarHBondContact O-N 2.92Å; P454-L456 PolarHBondContact O-N 3.49Å; L456-I459 PolarHBondContact O-N 3.03Å; L456-S460 VanDerWaalsContact O-CB 3.25Å; L456-S460 WeakPolarHBondContact O-CB 3.16Å; L456-S460 PolarHBondContact O-N 3.11Å; L456-S460 PolarHBondContact O-OG 3.26Å |
| 457 | V | 90.1 | Very high | 89 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.8 | -45.3 | 172.8 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | L453 P454 I459 S460 L461 L488 V493 E494 | L453-V457 WeakPolarHBondContact O-CG2 3.36Å; L453-V457 PolarHBondContact O-N 3.4Å; P454-V457 PolarHBondContact O-N 3.34Å; V457-I459 PolarHBondContact O-N 3.34Å; V457-S460 PolarHBondContact O-N 3.29Å; V457-L461 HydrophobicContact CG1-CD1 3.77Å; V457-L461 HydrophobicContact CG1-CG 4.11Å; V457-L461 WeakPolarHBondContact O-CB 3.33Å; V457-L461 WeakPolarHBondContact O-CG 3.48Å; V457-L461 PolarHBondContact O-N 3.23Å; V457-L488 HydrophobicContact CG1-CD1 3.83Å; V457-L488 HydrophobicContact CG1-CD2 3.91Å; V457-L488 HydrophobicContact CG2-CD2 4.03Å; V457-V493 HydrophobicContact CG1-CG1 4.4Å; V457-V493 HydrophobicContact CG2-CG1 4.09Å; V457-E494 HydrophobicContact CB-CG 4.18Å; V457-E494 HydrophobicContact CG1-CB 3.87Å; V457-E494 HydrophobicContact CG1-CG 3.8Å |
| 458 | Q | 89.2 | Confident | 89 | Confident | 66 Ų | 66 | 36.8 Ų | 36.8 | 31% | 0.308 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.2 | -45 | 178.6 | -81.4 | 177.7 | 9.7 | 0 | 0 | 113 | P454 S462 E494 K497 | P454-Q458 VanDerWaalsContact O-CB 3.25Å; P454-Q458 WeakPolarHBondContact O-CB 3.39Å; P454-Q458 WeakPolarHBondContact O-CG 3.4Å; P454-Q458 PolarHBondContact O-N 3.05Å; Q458-S462 WeakPolarHBondContact O-CB 3.48Å; Q458-S462 PolarHBondContact O-N 3Å; Q458-S462 PolarHBondContact O-OG 2.97Å; Q458-E494 VanDerWaalsContact CG-CD 3.41Å; Q458-E494 HydrophobicContact CG-CG 4.28Å; Q458-E494 WeakPolarHBondContact CG-OE2 3.5Å; Q458-E494 PolarHBondContact NE2-OE1 2.84Å; Q458-E494 PolarHBondContact NE2-OE2 3.3Å; Q458-K497 HydrophobicContact CG-CD 4.2Å; Q458-K497 PolarHBondContact O-NZ 3.4Å |
| 459 | I | 89.2 | Confident | 88.9 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 10% | 0.097 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.4 | -47.8 | 176.5 | -67.2 | 158.7 | 0 | 0 | 0 | 109.4 | T393 L394 E397 R455 L456 V457 S462 A463 | T393-I459 HydrophobicContact CG2-CD1 3.97Å; T393-I459 HydrophobicContact CG2-CG1 4.41Å; L394-I459 HydrophobicContact CB-CG2 4.35Å; E397-I459 HydrophobicContact CB-CD1 4.35Å; E397-I459 HydrophobicContact CG-CD1 3.84Å; R455-I459 HydrophobicContact CG-CD1 4.3Å; R455-I459 WeakPolarHBondContact O-CD1 3.08Å; R455-I459 WeakPolarHBondContact O-CG1 3.27Å; R455-I459 PolarHBondContact O-N 3.5Å; L456-I459 PolarHBondContact O-N 3.03Å; V457-I459 PolarHBondContact O-N 3.34Å; I459-S462 PolarHBondContact O-N 3.25Å; I459-A463 PolarHBondContact O-N 2.92Å |
| 460 | S | 92.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.5 | -44.2 | -174.4 | -56.7 | 0 | 0 | 0 | 0 | 113.3 | F445 G448 C449 L456 V457 S462 A463 I464 | F445-S460 WeakPolarHBondContact O-CB 3.18Å; F445-S460 PolarHBondContact O-OG 3.35Å; G448-S460 WeakPolarHBondContact CA-OG 3.25Å; C449-S460 VanDerWaalsContact SG-CB 3.56Å; L456-S460 VanDerWaalsContact O-CB 3.25Å; L456-S460 WeakPolarHBondContact O-CB 3.16Å; L456-S460 PolarHBondContact O-N 3.11Å; L456-S460 PolarHBondContact O-OG 3.26Å; V457-S460 PolarHBondContact O-N 3.29Å; S460-S462 VanDerWaalsContact C-N 3.33Å; S460-S462 PolarHBondContact O-N 3.39Å; S460-A463 PolarHBondContact O-N 3.39Å; S460-I464 WeakPolarHBondContact O-CB 3.44Å; S460-I464 VanDerWaalsContact O-CG1 3.28Å; S460-I464 WeakPolarHBondContact O-CG1 3.32Å; S460-I464 PolarHBondContact O-N 3.49Å |
| 461 | L | 92.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -37.3 | 173.7 | -70.9 | -179.5 | 0 | 0 | 0 | 111.9 | V457 I464 Q465 L485 L488 E494 K497 V498 T501 | V457-L461 HydrophobicContact CG1-CD1 3.77Å; V457-L461 HydrophobicContact CG1-CG 4.11Å; V457-L461 WeakPolarHBondContact O-CB 3.33Å; V457-L461 WeakPolarHBondContact O-CG 3.48Å; V457-L461 PolarHBondContact O-N 3.23Å; L461-I464 PolarHBondContact O-N 3.38Å; L461-Q465 WeakPolarHBondContact O-CB 3.2Å; L461-Q465 WeakPolarHBondContact O-CG 3.49Å; L461-Q465 PolarHBondContact O-N 3.31Å; L461-L485 HydrophobicContact CD2-CD2 3.68Å; L461-L488 HydrophobicContact CD1-CD1 4.05Å; L461-L488 HydrophobicContact CD2-CD1 3.96Å; L461-L488 HydrophobicContact CG-CD1 4.24Å; L461-E494 HydrophobicContact CD1-CB 4.48Å; L461-K497 HydrophobicContact CB-CD 4.22Å; L461-K497 HydrophobicContact CB-CG 4.22Å; L461-K497 HydrophobicContact CD1-CB 3.88Å; L461-K497 HydrophobicContact CD1-CD 4.38Å; L461-K497 HydrophobicContact CD1-CG 4.05Å; L461-V498 HydrophobicContact CD1-CG2 4.24Å; L461-T501 HydrophobicContact CD2-CG2 4.47Å |
| 462 | S | 91.9 | Very high | 88.4 | Confident | 35 Ų | 35 | 41.5 Ų | 41.5 | 25% | 0.245 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.8 | -34.1 | 175.5 | -80.5 | 0 | 0 | 0 | 0 | 113.2 | Q458 I459 S460 R466 K497 | Q458-S462 WeakPolarHBondContact O-CB 3.48Å; Q458-S462 PolarHBondContact O-N 3Å; Q458-S462 PolarHBondContact O-OG 2.97Å; I459-S462 PolarHBondContact O-N 3.25Å; S460-S462 VanDerWaalsContact C-N 3.33Å; S460-S462 PolarHBondContact O-N 3.39Å; S462-R466 WeakPolarHBondContact O-CG 3.45Å; S462-R466 PolarHBondContact O-N 3.09Å; S462-K497 VanDerWaalsContact OG-CE 3.23Å; S462-K497 WeakPolarHBondContact OG-CE 3.35Å; S462-K497 PolarHBondContact OG-NZ 3.19Å |
| 463 | A | 90.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.1 | -45.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D390 F445 I459 S460 Q465 R466 F467 | D390-A463 HydrophobicContact CB-CB 3.89Å; F445-A463 HydrophobicContact CD1-CB 3.54Å; F445-A463 HydrophobicContact CD2-CB 4.08Å; F445-A463 HydrophobicContact CE1-CB 3.29Å; F445-A463 HydrophobicContact CE2-CB 3.87Å; F445-A463 HydrophobicContact CG-CB 3.91Å; F445-A463 HydrophobicContact CZ-CB 3.45Å; F445-A463 VanDerWaalsContact CZ-CB 3.45Å; I459-A463 PolarHBondContact O-N 2.92Å; S460-A463 PolarHBondContact O-N 3.39Å; A463-Q465 VanDerWaalsContact C-N 3.32Å; A463-Q465 PolarHBondContact O-N 2.92Å; A463-R466 WeakPolarHBondContact O-CA 3.47Å; A463-R466 WeakPolarHBondContact O-CB 3.43Å; A463-R466 PolarHBondContact O-N 3.23Å; A463-F467 WeakPolarHBondContact O-CD2 3.39Å; A463-F467 PolarHBondContact O-N 3.42Å |
| 464 | I | 91.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.1 | -44 | 174.9 | -70.8 | 165.6 | 0 | 0 | 0 | 110.7 | V442 F445 S460 L461 R466 F467 V468 I481 T501 | V442-I464 HydrophobicContact CG1-CG1 4.46Å; F445-I464 HydrophobicContact CB-CD1 4.01Å; F445-I464 HydrophobicContact CB-CG1 3.95Å; S460-I464 WeakPolarHBondContact O-CB 3.44Å; S460-I464 VanDerWaalsContact O-CG1 3.28Å; S460-I464 WeakPolarHBondContact O-CG1 3.32Å; S460-I464 PolarHBondContact O-N 3.49Å; L461-I464 PolarHBondContact O-N 3.38Å; I464-R466 VanDerWaalsContact C-N 3.28Å; I464-R466 PolarHBondContact O-N 2.9Å; I464-F467 WeakPolarHBondContact O-CB 3.38Å; I464-F467 PolarHBondContact O-N 3.41Å; I464-F467 VanDerWaalsContact O-N 3.13Å; I464-V468 WeakPolarHBondContact O-CG2 3.24Å; I464-V468 PolarHBondContact O-N 2.99Å; I464-I481 HydrophobicContact CG2-CD1 4Å; I464-I481 HydrophobicContact CG2-CG1 4.03Å; I464-I481 HydrophobicContact CG2-CG2 3.82Å; I464-T501 HydrophobicContact CG2-CG2 3.94Å |
| 465 | Q | 91.5 | Very high | 88.4 | Confident | 32 Ų | 32 | 33.2 Ų | 33.2 | 15% | 0.15 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.3 | -42.3 | 173.2 | -76.3 | 168.2 | -5.4 | 0 | 0 | 111.6 | L461 A463 V468 T469 T501 L504 | L461-Q465 WeakPolarHBondContact O-CB 3.2Å; L461-Q465 WeakPolarHBondContact O-CG 3.49Å; L461-Q465 PolarHBondContact O-N 3.31Å; A463-Q465 VanDerWaalsContact C-N 3.32Å; A463-Q465 PolarHBondContact O-N 2.92Å; Q465-V468 WeakPolarHBondContact O-CB 3.29Å; Q465-V468 PolarHBondContact O-N 2.94Å; Q465-T469 PolarHBondContact O-N 3.17Å; Q465-T469 PolarHBondContact O-OG1 3.41Å; Q465-T501 HydrophobicContact CG-CG2 4.06Å; Q465-T501 PolarHBondContact NE2-OG1 3.27Å; Q465-L504 HydrophobicContact CB-CD2 3.92Å; Q465-L504 HydrophobicContact CG-CD2 4.07Å; Q465-L504 WeakPolarHBondContact O-CD2 3.49Å |
| 466 | R | 89.5 | Confident | 88.5 | Confident | 82 Ų | 82 | 31.4 Ų | 31.4 | 31% | 0.309 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.2 | -39.4 | 175.9 | -67.6 | 168.5 | -176.1 | 175.4 | 4.5 | 112.9 | F383 D390 S462 A463 I464 V468 T469 N470 | F383-R466 HydrophobicContact CD2-CB 4.4Å; F383-R466 HydrophobicContact CE2-CB 4.07Å; D390-R466 IonicContact OD1-CZ 2.82Å; D390-R466 IonicContact OD1-NH1 2.71Å; D390-R466 PolarHBondContact OD1-NH1 3.05Å; D390-R466 IonicContact OD1-NH2 3.66Å; D390-R466 WeakPolarHBondContact OD2-CD 3.42Å; D390-R466 IonicContact OD2-CZ 2.64Å; D390-R466 IonicContact OD2-NE 2.92Å; D390-R466 IonicContact OD2-NH1 3.22Å; D390-R466 PolarHBondContact OD2-NH1 3.04Å; S462-R466 WeakPolarHBondContact O-CG 3.45Å; S462-R466 PolarHBondContact O-N 3.09Å; A463-R466 WeakPolarHBondContact O-CA 3.47Å; A463-R466 WeakPolarHBondContact O-CB 3.43Å; A463-R466 PolarHBondContact O-N 3.23Å; I464-R466 VanDerWaalsContact C-N 3.28Å; I464-R466 PolarHBondContact O-N 2.9Å; R466-V468 VanDerWaalsContact C-N 3.28Å; R466-V468 PolarHBondContact O-N 2.74Å; R466-T469 PolarHBondContact O-N 3.48Å; R466-N470 PolarHBondContact O-N 3.02Å; R466-N470 PolarHBondContact O-ND2 2.84Å |
| 467 | F | 88.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.8 | -43.1 | 170.8 | -82.8 | -84 | 0 | 0 | 0 | 111.3 | F383 L387 L441 V442 F445 A463 I464 S471 C472 I473 | F383-F467 AromaticContact CZ-CD1 3.85Å; F383-F467 HydrophobicContact CZ-CD1 3.85Å; F383-F467 HydrophobicContact CZ-CE1 4.06Å; F383-F467 HydrophobicContact CZ-CG 4.17Å; L387-F467 HydrophobicContact CD1-CE2 3.46Å; L387-F467 VanDerWaalsContact CD1-CE2 3.46Å; L387-F467 HydrophobicContact CD1-CZ 3.53Å; L387-F467 HydrophobicContact CD2-CE1 4.25Å; L387-F467 HydrophobicContact CD2-CE2 4.43Å; L387-F467 HydrophobicContact CD2-CZ 3.7Å; L387-F467 HydrophobicContact CG-CZ 4.28Å; L441-F467 HydrophobicContact CB-CE1 4.11Å; L441-F467 HydrophobicContact CB-CZ 3.79Å; V442-F467 HydrophobicContact CG2-CD1 4.16Å; V442-F467 HydrophobicContact CG2-CD2 3.99Å; V442-F467 HydrophobicContact CG2-CE1 4.31Å; V442-F467 HydrophobicContact CG2-CE2 4.13Å; V442-F467 HydrophobicContact CG2-CG 4.01Å; V442-F467 HydrophobicContact CG2-CZ 4.3Å; F445-F467 HydrophobicContact CD2-CE2 4.17Å; F445-F467 AromaticContact CE2-CE2 3.89Å; F445-F467 HydrophobicContact CE2-CE2 3.89Å; A463-F467 WeakPolarHBondContact O-CD2 3.39Å; A463-F467 PolarHBondContact O-N 3.42Å; I464-F467 WeakPolarHBondContact O-CB 3.38Å; I464-F467 PolarHBondContact O-N 3.41Å; I464-F467 VanDerWaalsContact O-N 3.13Å; F467-S471 PolarHBondContact O-N 3.09Å; F467-C472 HydrophobicContact CD1-CB 3.96Å; F467-C472 PolarHBondContact O-N 2.98Å; F467-I473 HydrophobicContact CB-CD1 4.15Å; F467-I473 HydrophobicContact CB-CG1 4.07Å |
| 468 | V | 87.2 | Confident | 88.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.7 | -49.5 | 178.4 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | I464 Q465 R466 N470 S471 I473 L504 L505 A508 N509 | I464-V468 WeakPolarHBondContact O-CG2 3.24Å; I464-V468 PolarHBondContact O-N 2.99Å; Q465-V468 WeakPolarHBondContact O-CB 3.29Å; Q465-V468 PolarHBondContact O-N 2.94Å; R466-V468 VanDerWaalsContact C-N 3.28Å; R466-V468 PolarHBondContact O-N 2.74Å; V468-N470 PolarHBondContact O-N 3.02Å; V468-S471 PolarHBondContact O-N 3.3Å; V468-I473 HydrophobicContact CB-CD1 4.06Å; V468-I473 HydrophobicContact CG2-CD1 3.42Å; V468-I473 VanDerWaalsContact CG2-CD1 3.42Å; V468-L504 HydrophobicContact CB-CD2 4Å; V468-L504 HydrophobicContact CB-CG 4.16Å; V468-L504 HydrophobicContact CG1-CB 4.31Å; V468-L504 HydrophobicContact CG1-CD2 4.07Å; V468-L504 HydrophobicContact CG1-CG 3.65Å; V468-L504 WeakPolarHBondContact CG1-O 3.48Å; V468-L505 HydrophobicContact CG1-CB 4.49Å; V468-L505 HydrophobicContact CG2-CB 4.42Å; V468-L505 HydrophobicContact CG2-CD1 3.84Å; V468-A508 HydrophobicContact CG1-CB 3.82Å; V468-N509 PolarHBondContact O-ND2 3.45Å |
| 469 | T | 87.5 | Confident | 88.3 | Confident | 91 Ų | 91 | 31.7 Ų | 31.7 | 56% | 0.558 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -59.9 | -33 | -177.9 | -56.3 | 0 | 0 | 0 | 0 | 112.8 | Q465 R466 S471 | Q465-T469 PolarHBondContact O-N 3.17Å; Q465-T469 PolarHBondContact O-OG1 3.41Å; R466-T469 PolarHBondContact O-N 3.48Å; T469-S471 VanDerWaalsContact C-N 3.33Å |
| 470 | N | 84.9 | Confident | 88.3 | Confident | 56 Ų | 56 | 33.7 Ų | 33.7 | 30% | 0.299 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 11.5 | 177.4 | -62.5 | -91.7 | 0 | 0 | 0 | 112.3 | F383 M431 R466 V468 C472 | F383-N470 HydrophobicContact CD1-CB 4.4Å; F383-N470 HydrophobicContact CD2-CB 4.24Å; F383-N470 WeakPolarHBondContact CD2-ND2 3.49Å; F383-N470 HydrophobicContact CE2-CB 4.41Å; F383-N470 HydrophobicContact CG-CB 4.24Å; M431-N470 HydrophobicContact CE-CB 3.8Å; M431-N470 WeakPolarHBondContact CE-O 3.37Å; R466-N470 PolarHBondContact O-N 3.02Å; R466-N470 PolarHBondContact O-ND2 2.84Å; V468-N470 PolarHBondContact O-N 3.02Å; N470-C472 PolarHBondContact O-N 3.37Å |
| 471 | S | 82.6 | Confident | 88.2 | Confident | 59 Ų | 59 | 33.7 Ų | 33.7 | 41% | 0.413 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 26.4 | -177.6 | -64 | 0 | 0 | 0 | 0 | 114.9 | F467 V468 T469 I473 N509 | F467-S471 PolarHBondContact O-N 3.09Å; V468-S471 PolarHBondContact O-N 3.3Å; T469-S471 VanDerWaalsContact C-N 3.33Å; S471-I473 PolarHBondContact O-N 3.33Å; S471-N509 WeakPolarHBondContact CA-OD1 3.14Å; S471-N509 VanDerWaalsContact CB-OD1 3.24Å; S471-N509 WeakPolarHBondContact CB-OD1 3.45Å; S471-N509 PolarHBondContact OG-OD1 3.49Å |
| 472 | C | 84.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -85 | 46.5 | -171.3 | -166.5 | 0 | 0 | 0 | 0 | 112.6 | F383 M431 L434 S438 F467 N470 | F383-C472 HydrophobicContact CE1-CB 3.87Å; F383-C472 HydrophobicContact CZ-CB 3.94Å; M431-C472 HydrophobicContact CE-CB 3.66Å; L434-C472 WeakPolarHBondContact CB-SG 3.33Å; S438-C472 WeakPolarHBondContact CB-O 3.49Å; F467-C472 HydrophobicContact CD1-CB 3.96Å; F467-C472 PolarHBondContact O-N 2.98Å; N470-C472 PolarHBondContact O-N 3.37Å | ||
| 473 | I | 87.7 | Confident | 88.2 | Confident | 6 Ų | 6 | 36.8 Ų | 36.8 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | trans | -136.5 | 114.7 | -164.6 | -66 | -176.4 | 0 | 0 | 0 | 111.6 | F467 V468 S471 S477 A478 I481 L505 | F467-I473 HydrophobicContact CB-CD1 4.15Å; F467-I473 HydrophobicContact CB-CG1 4.07Å; V468-I473 HydrophobicContact CB-CD1 4.06Å; V468-I473 HydrophobicContact CG2-CD1 3.42Å; V468-I473 VanDerWaalsContact CG2-CD1 3.42Å; S471-I473 PolarHBondContact O-N 3.33Å; I473-S477 WeakPolarHBondContact CG2-OG 2.95Å; I473-A478 HydrophobicContact CG2-CB 3.81Å; I473-I481 HydrophobicContact CD1-CD1 3.79Å; I473-L505 HydrophobicContact CD1-CD1 4.3Å | ||
| 474 | N | 86.9 | Confident | 88.2 | Confident | 30 Ų | 30 | 37 Ų | 37 | 16% | 0.16 | 20% | 0.196 | C | C | . | . | trans | -78.8 | 163.5 | 166.6 | 73.2 | 34.4 | 0 | 0 | 0 | 112.7 | I435 D436 S438 E476 S477 A478 | I435-N474 HydrophobicContact CG2-CB 4.39Å; I435-N474 PolarHBondContact O-ND2 3.16Å; I435-N474 VanDerWaalsContact O-ND2 3.1Å; D436-N474 PolarHBondContact O-ND2 3.34Å; S438-N474 PolarHBondContact OG-N 3.4Å; S438-N474 PolarHBondContact OG-ND2 2.98Å; S438-N474 PolarHBondContact OG-OD1 3.31Å; N474-E476 VanDerWaalsContact C-N 3.29Å; N474-E476 PolarHBondContact O-N 2.7Å; N474-E476 PolarHBondContact OD1-N 2.87Å; N474-S477 PolarHBondContact N-OG 2.73Å; N474-S477 VanDerWaalsContact N-OG 3.16Å; N474-S477 PolarHBondContact O-N 2.94Å; N474-S477 PolarHBondContact O-OG 3.37Å; N474-S477 WeakPolarHBondContact OD1-CB 3.12Å; N474-S477 PolarHBondContact OD1-N 3.3Å; N474-S477 PolarHBondContact OD1-OG 2.98Å; N474-A478 PolarHBondContact O-N 3.02Å | ||
| 475 | D | 84 | Confident | 88.3 | Confident | 67 Ų | 67 | 37 Ų | 37 | 36% | 0.358 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.3 | -26.7 | -172 | -63.3 | -89.5 | 0 | 0 | 0 | 114.5 | K479 K511 | D475-K479 WeakPolarHBondContact O-CG 3.5Å; D475-K479 PolarHBondContact O-N 2.92Å; D475-K511 VanDerWaalsContact CG-CD 3.48Å; D475-K511 WeakPolarHBondContact OD1-CD 3.44Å; D475-K511 IonicContact OD1-NZ 3.4Å; D475-K511 WeakPolarHBondContact OD2-CD 3.36Å; D475-K511 IonicContact OD2-NZ 3.67Å; D475-K511 PolarHBondContact OD2-NZ 3.42Å |
| 476 | E | 85.9 | Confident | 88.4 | Confident | 107 Ų | 107 | 38.8 Ų | 38.8 | 50% | 0.5 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -76.7 | -45 | 173.5 | -62.9 | -49.6 | 134.4 | 0 | 0 | 111.8 | N474 A478 K479 S480 | N474-E476 VanDerWaalsContact C-N 3.29Å; N474-E476 PolarHBondContact O-N 2.7Å; N474-E476 PolarHBondContact OD1-N 2.87Å; E476-A478 PolarHBondContact O-N 3.03Å; E476-K479 WeakPolarHBondContact O-CB 3.3Å; E476-K479 PolarHBondContact O-N 3.25Å; E476-K479 IonicContact OE1-NZ 2.63Å; E476-K479 PolarHBondContact OE1-NZ 3.47Å; E476-K479 VanDerWaalsContact OE2-CD 3.31Å; E476-K479 WeakPolarHBondContact OE2-CD 3.45Å; E476-K479 IonicContact OE2-NZ 2.86Å; E476-K479 PolarHBondContact OE2-NZ 3.23Å; E476-S480 PolarHBondContact O-N 2.73Å |
| 477 | S | 88.2 | Confident | 88.5 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.5 | -34.4 | 175.7 | 66.7 | 0 | 0 | 0 | 0 | 112 | S438 I473 N474 S480 I481 | S438-S477 WeakPolarHBondContact OG-CB 3.46Å; S438-S477 PolarHBondContact OG-OG 3.18Å; I473-S477 WeakPolarHBondContact CG2-OG 2.95Å; N474-S477 PolarHBondContact N-OG 2.73Å; N474-S477 VanDerWaalsContact N-OG 3.16Å; N474-S477 PolarHBondContact O-N 2.94Å; N474-S477 PolarHBondContact O-OG 3.37Å; N474-S477 WeakPolarHBondContact OD1-CB 3.12Å; N474-S477 PolarHBondContact OD1-N 3.3Å; N474-S477 PolarHBondContact OD1-OG 2.98Å; S477-S480 PolarHBondContact O-N 2.9Å; S477-I481 WeakPolarHBondContact O-CB 3.45Å; S477-I481 WeakPolarHBondContact O-CD1 3.31Å; S477-I481 VanDerWaalsContact O-CG1 3.23Å; S477-I481 WeakPolarHBondContact O-CG1 3.15Å; S477-I481 PolarHBondContact O-N 3.1Å |
| 478 | A | 87.6 | Confident | 88.6 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.033 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.3 | -43.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | I473 N474 E476 I481 V482 K511 V512 | I473-A478 HydrophobicContact CG2-CB 3.81Å; N474-A478 PolarHBondContact O-N 3.02Å; E476-A478 PolarHBondContact O-N 3.03Å; A478-I481 PolarHBondContact O-N 2.68Å; A478-V482 WeakPolarHBondContact O-CG2 3.37Å; A478-V482 PolarHBondContact O-N 2.68Å; A478-V482 VanDerWaalsContact O-N 3.07Å; A478-K511 HydrophobicContact CB-CB 4.44Å; A478-V512 HydrophobicContact CB-CG2 4.25Å |
| 479 | K | 88.9 | Confident | 88.7 | Confident | 76 Ų | 76 | 36.9 Ų | 36.9 | 33% | 0.33 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.9 | -46.7 | 175 | -64.8 | 167.3 | -164.1 | 171.6 | 0 | 111.4 | D475 E476 I481 V482 I483 | D475-K479 WeakPolarHBondContact O-CG 3.5Å; D475-K479 PolarHBondContact O-N 2.92Å; E476-K479 WeakPolarHBondContact O-CB 3.3Å; E476-K479 PolarHBondContact O-N 3.25Å; E476-K479 IonicContact OE1-NZ 2.63Å; E476-K479 PolarHBondContact OE1-NZ 3.47Å; E476-K479 VanDerWaalsContact OE2-CD 3.31Å; E476-K479 WeakPolarHBondContact OE2-CD 3.45Å; E476-K479 IonicContact OE2-NZ 2.86Å; E476-K479 PolarHBondContact OE2-NZ 3.23Å; K479-I481 VanDerWaalsContact C-N 3.33Å; K479-I481 PolarHBondContact O-N 3.24Å; K479-V482 PolarHBondContact O-N 2.99Å; K479-I483 WeakPolarHBondContact O-CG1 3.43Å; K479-I483 PolarHBondContact O-N 3.46Å |
| 480 | S | 88.9 | Confident | 88.8 | Confident | 60 Ų | 60 | 35.3 Ų | 35.3 | 42% | 0.42 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.4 | -40.1 | 179.4 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | E476 S477 I483 C484 | E476-S480 PolarHBondContact O-N 2.73Å; S477-S480 PolarHBondContact O-N 2.9Å; S480-I483 PolarHBondContact O-N 3.07Å; S480-C484 VanDerWaalsContact O-CB 3.27Å; S480-C484 WeakPolarHBondContact O-CB 3.11Å; S480-C484 PolarHBondContact O-N 3.01Å |
| 481 | I | 91.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.6 | -43.8 | 174.2 | -67.5 | 161.9 | 0 | 0 | 0 | 110.9 | V442 I464 I473 S477 A478 K479 I483 C484 L485 L505 | V442-I481 HydrophobicContact CG1-CD1 4.15Å; V442-I481 HydrophobicContact CG1-CG1 3.82Å; V442-I481 HydrophobicContact CG2-CD1 4.48Å; I464-I481 HydrophobicContact CG2-CD1 4Å; I464-I481 HydrophobicContact CG2-CG1 4.03Å; I464-I481 HydrophobicContact CG2-CG2 3.82Å; I473-I481 HydrophobicContact CD1-CD1 3.79Å; S477-I481 WeakPolarHBondContact O-CB 3.45Å; S477-I481 WeakPolarHBondContact O-CD1 3.31Å; S477-I481 VanDerWaalsContact O-CG1 3.23Å; S477-I481 WeakPolarHBondContact O-CG1 3.15Å; S477-I481 PolarHBondContact O-N 3.1Å; A478-I481 PolarHBondContact O-N 2.68Å; K479-I481 VanDerWaalsContact C-N 3.33Å; K479-I481 PolarHBondContact O-N 3.24Å; I481-I483 PolarHBondContact O-N 3.16Å; I481-C484 WeakPolarHBondContact O-CB 3.3Å; I481-C484 PolarHBondContact O-N 2.83Å; I481-L485 HydrophobicContact CG2-CD1 3.65Å; I481-L485 HydrophobicContact CG2-CG 4.25Å; I481-L485 WeakPolarHBondContact O-CB 3.45Å; I481-L485 VanDerWaalsContact O-CG 3.26Å; I481-L485 WeakPolarHBondContact O-CG 3.46Å; I481-L485 PolarHBondContact O-N 2.86Å; I481-L505 HydrophobicContact CG2-CD1 4.43Å; I481-L505 HydrophobicContact CG2-CD2 3.83Å |
| 482 | V | 91.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.5 | -39.6 | 177 | 173.3 | 0 | 0 | 0 | 0 | 112 | A478 K479 L485 W486 L505 V512 N516 K519 | A478-V482 WeakPolarHBondContact O-CG2 3.37Å; A478-V482 PolarHBondContact O-N 2.68Å; A478-V482 VanDerWaalsContact O-N 3.07Å; K479-V482 PolarHBondContact O-N 2.99Å; V482-L485 PolarHBondContact O-N 3.12Å; V482-W486 WeakPolarHBondContact O-CB 3.42Å; V482-W486 PolarHBondContact O-N 3.01Å; V482-L505 HydrophobicContact CG2-CD2 3.71Å; V482-V512 HydrophobicContact CG2-CG1 4.27Å; V482-V512 HydrophobicContact CG2-CG2 4.28Å; V482-N516 HydrophobicContact CG1-CB 4.3Å; V482-K519 HydrophobicContact CG1-CB 3.86Å; V482-K519 HydrophobicContact CG1-CD 4.25Å |
| 483 | I | 91.6 | Very high | 89.4 | Confident | 99 Ų | 99 | 38.2 Ų | 38.2 | 51% | 0.508 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 175.7 | -67 | 164.6 | 0 | 0 | 0 | 110.8 | K479 S480 I481 W486 S487 | K479-I483 WeakPolarHBondContact O-CG1 3.43Å; K479-I483 PolarHBondContact O-N 3.46Å; S480-I483 PolarHBondContact O-N 3.07Å; I481-I483 PolarHBondContact O-N 3.16Å; I483-W486 PolarHBondContact O-N 3.47Å; I483-S487 PolarHBondContact O-N 2.9Å |
| 484 | C | 92 | Very high | 89.5 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.034 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60 | -46.4 | 175 | 176.1 | 0 | 0 | 0 | 0 | 112.4 | T446 C449 S480 I481 W486 S487 L488 | T446-C484 HydrophobicContact CG2-CB 3.84Å; C449-C484 WeakPolarHBondContact CB-SG 3.48Å; C449-C484 VanDerWaalsContact SG-SG 3.69Å; S480-C484 VanDerWaalsContact O-CB 3.27Å; S480-C484 WeakPolarHBondContact O-CB 3.11Å; S480-C484 PolarHBondContact O-N 3.01Å; I481-C484 WeakPolarHBondContact O-CB 3.3Å; I481-C484 PolarHBondContact O-N 2.83Å; C484-W486 VanDerWaalsContact C-N 3.33Å; C484-W486 PolarHBondContact O-N 3.1Å; C484-S487 WeakPolarHBondContact O-CB 3.39Å; C484-S487 PolarHBondContact O-N 3.26Å; C484-L488 PolarHBondContact O-N 3.02Å |
| 485 | L | 93.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.5 | -35.1 | 178.4 | -68.2 | 166.5 | 0 | 0 | 0 | 111.6 | L461 I481 V482 A489 V498 T501 V502 L505 I523 | L461-L485 HydrophobicContact CD2-CD2 3.68Å; I481-L485 HydrophobicContact CG2-CD1 3.65Å; I481-L485 HydrophobicContact CG2-CG 4.25Å; I481-L485 WeakPolarHBondContact O-CB 3.45Å; I481-L485 VanDerWaalsContact O-CG 3.26Å; I481-L485 WeakPolarHBondContact O-CG 3.46Å; I481-L485 PolarHBondContact O-N 2.86Å; V482-L485 PolarHBondContact O-N 3.12Å; L485-A489 VanDerWaalsContact O-CB 3.31Å; L485-A489 WeakPolarHBondContact O-CB 3.12Å; L485-A489 PolarHBondContact O-N 3.19Å; L485-V498 HydrophobicContact CB-CG1 4.32Å; L485-V498 HydrophobicContact CD2-CB 4.43Å; L485-V498 HydrophobicContact CD2-CG1 4.01Å; L485-V498 HydrophobicContact CD2-CG2 4.47Å; L485-T501 HydrophobicContact CD1-CG2 4.02Å; L485-T501 HydrophobicContact CD2-CG2 3.97Å; L485-V502 HydrophobicContact CB-CG2 4.31Å; L485-V502 HydrophobicContact CD1-CG2 3.86Å; L485-V502 HydrophobicContact CG-CG2 4.49Å; L485-L505 HydrophobicContact CD1-CD2 4.18Å; L485-I523 HydrophobicContact CB-CD1 4.3Å |
| 486 | W | 92.7 | Very high | 90 | Very high | 70 Ų | 70 | 40.3 Ų | 40.3 | 27% | 0.265 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.6 | -39.1 | 172.4 | -174.1 | -80.2 | 0 | 0 | 0 | 112.8 | V482 I483 C484 S490 K519 V522 I523 | V482-W486 WeakPolarHBondContact O-CB 3.42Å; V482-W486 PolarHBondContact O-N 3.01Å; I483-W486 PolarHBondContact O-N 3.47Å; C484-W486 VanDerWaalsContact C-N 3.33Å; C484-W486 PolarHBondContact O-N 3.1Å; W486-S490 VanDerWaalsContact O-CB 3.25Å; W486-S490 WeakPolarHBondContact O-CB 3.38Å; W486-S490 PolarHBondContact O-N 3.21Å; W486-S490 PolarHBondContact O-OG 3.35Å; W486-K519 HydrophobicContact CE3-CB 3.91Å; W486-K519 HydrophobicContact CE3-CD 4.47Å; W486-K519 HydrophobicContact CE3-CG 3.93Å; W486-K519 HydrophobicContact CZ3-CB 4.05Å; W486-K519 HydrophobicContact CZ3-CG 3.92Å; W486-V522 HydrophobicContact CH2-CB 4.37Å; W486-V522 HydrophobicContact CH2-CG1 3.67Å; W486-V522 HydrophobicContact CZ3-CB 3.99Å; W486-V522 HydrophobicContact CZ3-CG1 3.75Å; W486-I523 HydrophobicContact CB-CD1 4.14Å; W486-I523 HydrophobicContact CD2-CG1 4.47Å; W486-I523 HydrophobicContact CE3-CD1 4.02Å; W486-I523 HydrophobicContact CE3-CG1 3.69Å; W486-I523 HydrophobicContact CZ3-CG1 4.25Å |
| 487 | S | 91.9 | Very high | 90.2 | Very high | 30 Ų | 30 | 36.8 Ų | 36.8 | 21% | 0.21 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.8 | -48.3 | 175 | -175 | 0 | 0 | 0 | 0 | 111.2 | D450 I483 C484 S490 A491 | D450-S487 PolarHBondContact OD1-OG 2.73Å; I483-S487 PolarHBondContact O-N 2.9Å; C484-S487 WeakPolarHBondContact O-CB 3.39Å; C484-S487 PolarHBondContact O-N 3.26Å; S487-S490 PolarHBondContact O-N 3.5Å; S487-A491 WeakPolarHBondContact O-CB 3.11Å; S487-A491 PolarHBondContact O-N 2.93Å |
| 488 | L | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.3 | -47.5 | 177.5 | -68.2 | 175 | 0 | 0 | 0 | 112.9 | C449 V457 L461 C484 S490 A491 E492 V493 V498 | C449-L488 HydrophobicContact CB-CD1 3.96Å; C449-L488 HydrophobicContact CB-CD2 4.25Å; C449-L488 HydrophobicContact CB-CG 4.3Å; V457-L488 HydrophobicContact CG1-CD1 3.83Å; V457-L488 HydrophobicContact CG1-CD2 3.91Å; V457-L488 HydrophobicContact CG2-CD2 4.03Å; L461-L488 HydrophobicContact CD1-CD1 4.05Å; L461-L488 HydrophobicContact CD2-CD1 3.96Å; L461-L488 HydrophobicContact CG-CD1 4.24Å; C484-L488 PolarHBondContact O-N 3.02Å; L488-S490 VanDerWaalsContact C-N 3.27Å; L488-S490 PolarHBondContact O-N 3.14Å; L488-A491 CarbonylContact O-C 3.59Å; L488-A491 PolarHBondContact O-N 2.92Å; L488-E492 PolarHBondContact O-N 3.5Å; L488-V493 HydrophobicContact CD2-CB 4.29Å; L488-V493 HydrophobicContact CD2-CG1 4.37Å; L488-V493 PolarHBondContact O-N 3.46Å; L488-V498 HydrophobicContact CB-CG2 3.72Å; L488-V498 HydrophobicContact CD1-CG2 4Å |
| 489 | A | 89.2 | Confident | 90.6 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -35.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | L485 A491 V498 I523 | L485-A489 VanDerWaalsContact O-CB 3.31Å; L485-A489 WeakPolarHBondContact O-CB 3.12Å; L485-A489 PolarHBondContact O-N 3.19Å; A489-A491 PolarHBondContact O-N 3.28Å; A489-V498 HydrophobicContact CB-CG1 4.28Å; A489-I523 HydrophobicContact CB-CG1 4.24Å; A489-I523 HydrophobicContact CB-CG2 3.81Å |
| 490 | S | 88.1 | Confident | 90.8 | Very high | 58 Ų | 58 | 38 Ų | 38 | 41% | 0.406 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -0.3 | 176.2 | -56.7 | 0 | 0 | 0 | 0 | 113.7 | W486 S487 L488 R526 | W486-S490 VanDerWaalsContact O-CB 3.25Å; W486-S490 WeakPolarHBondContact O-CB 3.38Å; W486-S490 PolarHBondContact O-N 3.21Å; W486-S490 PolarHBondContact O-OG 3.35Å; S487-S490 PolarHBondContact O-N 3.5Å; L488-S490 VanDerWaalsContact C-N 3.27Å; L488-S490 PolarHBondContact O-N 3.14Å; S490-R526 PolarHBondContact OG-NH1 2.94Å |
| 491 | A | 88.1 | Confident | 90.9 | Very high | 31 Ų | 31 | 35.1 Ų | 35.1 | 26% | 0.256 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 5.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S487 L488 A489 V493 | S487-A491 WeakPolarHBondContact O-CB 3.11Å; S487-A491 PolarHBondContact O-N 2.93Å; L488-A491 CarbonylContact O-C 3.59Å; L488-A491 PolarHBondContact O-N 2.92Å; A489-A491 PolarHBondContact O-N 3.28Å; A491-V493 VanDerWaalsContact C-N 3.27Å; A491-V493 HydrophobicContact CB-CG2 4.04Å; A491-V493 WeakPolarHBondContact O-CG2 3.15Å; A491-V493 PolarHBondContact O-N 3.13Å |
| 492 | E | 89.1 | Confident | 91 | Very high | 124 Ų | 124 | 35.1 Ų | 35.1 | 58% | 0.579 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 34.1 | -176.1 | -56.6 | -173.8 | -165.5 | 0 | 0 | 113.5 | L488 K531 | L488-E492 PolarHBondContact O-N 3.5Å; E492-K531 IonicContact OE1-NZ 2.67Å; E492-K531 PolarHBondContact OE1-NZ 2.82Å; E492-K531 IonicContact OE2-NZ 3.92Å; E492-K531 PolarHBondContact OE2-NZ 3.31Å |
| 493 | V | 88.6 | Confident | 90.9 | Very high | 22 Ų | 22 | 35.6 Ų | 35.6 | 13% | 0.133 | 19% | 0.187 | C | C | . | . | trans | -106.8 | 124.9 | -177.8 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | R452 V457 L488 A491 E495 | R452-V493 HydrophobicContact CB-CG2 4.47Å; V457-V493 HydrophobicContact CG1-CG1 4.4Å; V457-V493 HydrophobicContact CG2-CG1 4.09Å; L488-V493 HydrophobicContact CD2-CB 4.29Å; L488-V493 HydrophobicContact CD2-CG1 4.37Å; L488-V493 PolarHBondContact O-N 3.46Å; A491-V493 VanDerWaalsContact C-N 3.27Å; A491-V493 HydrophobicContact CB-CG2 4.04Å; A491-V493 WeakPolarHBondContact O-CG2 3.15Å; A491-V493 PolarHBondContact O-N 3.13Å; V493-E495 VanDerWaalsContact C-N 3.3Å; V493-E495 PolarHBondContact O-N 3.43Å | ||
| 494 | E | 89.5 | Confident | 90.9 | Very high | 50 Ų | 50 | 33.2 Ų | 33.2 | 23% | 0.234 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 54.5 | 39.6 | 173.7 | -70.7 | -76.1 | 144.8 | 0 | 0 | 113.8 | V457 Q458 L461 L496 K497 V498 | V457-E494 HydrophobicContact CB-CG 4.18Å; V457-E494 HydrophobicContact CG1-CB 3.87Å; V457-E494 HydrophobicContact CG1-CG 3.8Å; Q458-E494 VanDerWaalsContact CG-CD 3.41Å; Q458-E494 HydrophobicContact CG-CG 4.28Å; Q458-E494 WeakPolarHBondContact CG-OE2 3.5Å; Q458-E494 PolarHBondContact NE2-OE1 2.84Å; Q458-E494 PolarHBondContact NE2-OE2 3.3Å; L461-E494 HydrophobicContact CD1-CB 4.48Å; E494-L496 PolarHBondContact O-N 3.43Å; E494-K497 HydrophobicContact CB-CB 4.32Å; E494-K497 WeakPolarHBondContact O-CA 3.36Å; E494-K497 WeakPolarHBondContact O-CB 3.48Å; E494-K497 PolarHBondContact O-N 2.94Å; E494-V498 PolarHBondContact O-N 2.89Å |
| 495 | E | 91.7 | Very high | 90.8 | Very high | 33 Ų | 33 | 33 Ų | 33 | 15% | 0.154 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -51.5 | -45.4 | -168.9 | -57.7 | -175.7 | 126.1 | 0 | 0 | 114.3 | V493 K497 V498 L499 L527 V535 | V493-E495 VanDerWaalsContact C-N 3.3Å; V493-E495 PolarHBondContact O-N 3.43Å; E495-K497 VanDerWaalsContact C-N 3.25Å; E495-K497 PolarHBondContact O-N 2.72Å; E495-V498 WeakPolarHBondContact O-CB 3.39Å; E495-V498 PolarHBondContact O-N 3.23Å; E495-L499 WeakPolarHBondContact O-CG 3.47Å; E495-L499 PolarHBondContact O-N 3.09Å; E495-L527 HydrophobicContact CB-CD2 4.14Å; E495-L527 HydrophobicContact CG-CD2 3.98Å; E495-L527 VanDerWaalsContact OE1-CD2 3.23Å; E495-L527 WeakPolarHBondContact OE1-CD2 3.49Å; E495-V535 HydrophobicContact CB-CG1 3.84Å; E495-V535 HydrophobicContact CB-CG2 4.04Å |
| 496 | L | 89.6 | Confident | 90.5 | Very high | 63 Ų | 63 | 33 Ų | 33 | 33% | 0.33 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.5 | -38.7 | 175.2 | -69 | 176.9 | 0 | 0 | 0 | 112.4 | E494 L499 Q500 V535 T538 | E494-L496 PolarHBondContact O-N 3.43Å; L496-L499 PolarHBondContact O-N 2.71Å; L496-Q500 VanDerWaalsContact O-CG 3.26Å; L496-Q500 WeakPolarHBondContact O-CG 3.29Å; L496-Q500 PolarHBondContact O-N 2.91Å; L496-V535 HydrophobicContact CD2-CB 4.33Å; L496-V535 HydrophobicContact CD2-CG2 3.75Å; L496-V535 HydrophobicContact CG-CG2 3.85Å; L496-T538 HydrophobicContact CD2-CG2 4.36Å |
| 497 | K | 89.7 | Confident | 90.2 | Very high | 34 Ų | 34 | 31.8 Ų | 31.8 | 15% | 0.148 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -80.8 | -30.2 | -177.4 | -148.6 | 171 | -168.6 | -179.1 | 0 | 111.8 | Q458 L461 S462 E494 E495 T501 | Q458-K497 HydrophobicContact CG-CD 4.2Å; Q458-K497 PolarHBondContact O-NZ 3.4Å; L461-K497 HydrophobicContact CB-CD 4.22Å; L461-K497 HydrophobicContact CB-CG 4.22Å; L461-K497 HydrophobicContact CD1-CB 3.88Å; L461-K497 HydrophobicContact CD1-CD 4.38Å; L461-K497 HydrophobicContact CD1-CG 4.05Å; S462-K497 VanDerWaalsContact OG-CE 3.23Å; S462-K497 WeakPolarHBondContact OG-CE 3.35Å; S462-K497 PolarHBondContact OG-NZ 3.19Å; E494-K497 HydrophobicContact CB-CB 4.32Å; E494-K497 WeakPolarHBondContact O-CA 3.36Å; E494-K497 WeakPolarHBondContact O-CB 3.48Å; E494-K497 PolarHBondContact O-N 2.94Å; E495-K497 VanDerWaalsContact C-N 3.25Å; E495-K497 PolarHBondContact O-N 2.72Å; K497-T501 WeakPolarHBondContact O-CB 3.32Å; K497-T501 PolarHBondContact O-N 2.88Å; K497-T501 VanDerWaalsContact O-N 3.12Å; K497-T501 PolarHBondContact O-OG1 3.42Å |
| 498 | V | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.7 | -51.2 | 165.8 | 175.1 | 0 | 0 | 0 | 0 | 109.8 | L461 L485 L488 A489 E494 E495 Q500 T501 V502 I523 | L461-V498 HydrophobicContact CD1-CG2 4.24Å; L485-V498 HydrophobicContact CB-CG1 4.32Å; L485-V498 HydrophobicContact CD2-CB 4.43Å; L485-V498 HydrophobicContact CD2-CG1 4.01Å; L485-V498 HydrophobicContact CD2-CG2 4.47Å; L488-V498 HydrophobicContact CB-CG2 3.72Å; L488-V498 HydrophobicContact CD1-CG2 4Å; A489-V498 HydrophobicContact CB-CG1 4.28Å; E494-V498 PolarHBondContact O-N 2.89Å; E495-V498 WeakPolarHBondContact O-CB 3.39Å; E495-V498 PolarHBondContact O-N 3.23Å; V498-Q500 PolarHBondContact O-N 3.48Å; V498-T501 PolarHBondContact O-N 3.25Å; V498-T501 VanDerWaalsContact O-N 3.08Å; V498-V502 HydrophobicContact CG1-CG2 4.34Å; V498-V502 WeakPolarHBondContact O-CG2 3.46Å; V498-V502 PolarHBondContact O-N 3.11Å; V498-I523 HydrophobicContact CG1-CG2 4.12Å |
| 499 | L | 92.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.6 | -50 | 178.2 | -73.4 | 168.6 | 0 | 0 | 0 | 112.7 | E495 L496 T501 V502 A503 C524 L527 V535 T538 A539 | E495-L499 WeakPolarHBondContact O-CG 3.47Å; E495-L499 PolarHBondContact O-N 3.09Å; L496-L499 PolarHBondContact O-N 2.71Å; L499-T501 PolarHBondContact O-N 2.8Å; L499-V502 PolarHBondContact O-N 2.78Å; L499-A503 WeakPolarHBondContact O-CB 3.49Å; L499-A503 PolarHBondContact O-N 2.72Å; L499-C524 HydrophobicContact CD2-CB 4.2Å; L499-L527 HydrophobicContact CD1-CB 4.43Å; L499-L527 HydrophobicContact CD1-CD1 4.26Å; L499-L527 HydrophobicContact CD2-CB 4.17Å; L499-L527 HydrophobicContact CD2-CD1 3.72Å; L499-L527 HydrophobicContact CG-CD1 3.7Å; L499-V535 HydrophobicContact CD1-CG1 3.98Å; L499-T538 HydrophobicContact CB-CG2 4.18Å; L499-T538 HydrophobicContact CD1-CG2 3.99Å; L499-A539 HydrophobicContact CD1-CB 3.9Å; L499-A539 HydrophobicContact CD2-CB 4.02Å |
| 500 | Q | 91.6 | Very high | 88.2 | Confident | 105 Ų | 105 | 36.1 Ų | 36.1 | 49% | 0.491 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55.3 | -39.8 | 175.3 | -73.6 | 167.6 | 2.1 | 0 | 0 | 112.2 | L496 V498 L504 | L496-Q500 VanDerWaalsContact O-CG 3.26Å; L496-Q500 WeakPolarHBondContact O-CG 3.29Å; L496-Q500 PolarHBondContact O-N 2.91Å; V498-Q500 PolarHBondContact O-N 3.48Å; Q500-L504 WeakPolarHBondContact O-CB 3.31Å; Q500-L504 PolarHBondContact O-N 3.03Å; Q500-L504 VanDerWaalsContact O-N 3.16Å |
| 501 | T | 92.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73.3 | -39.3 | -179.9 | -49.1 | 0 | 0 | 0 | 0 | 111.9 | L461 I464 Q465 L485 K497 V498 L499 L505 | L461-T501 HydrophobicContact CD2-CG2 4.47Å; I464-T501 HydrophobicContact CG2-CG2 3.94Å; Q465-T501 HydrophobicContact CG-CG2 4.06Å; Q465-T501 PolarHBondContact NE2-OG1 3.27Å; L485-T501 HydrophobicContact CD1-CG2 4.02Å; L485-T501 HydrophobicContact CD2-CG2 3.97Å; K497-T501 WeakPolarHBondContact O-CB 3.32Å; K497-T501 PolarHBondContact O-N 2.88Å; K497-T501 VanDerWaalsContact O-N 3.12Å; K497-T501 PolarHBondContact O-OG1 3.42Å; V498-T501 PolarHBondContact O-N 3.25Å; V498-T501 VanDerWaalsContact O-N 3.08Å; L499-T501 PolarHBondContact O-N 2.8Å; T501-L505 WeakPolarHBondContact O-CB 3.45Å; T501-L505 PolarHBondContact O-N 2.92Å |
| 502 | V | 92.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.2 | -45.7 | 175.2 | 177 | 0 | 0 | 0 | 0 | 111.1 | L485 V498 L499 L504 L505 V506 C520 I523 L546 | L485-V502 HydrophobicContact CB-CG2 4.31Å; L485-V502 HydrophobicContact CD1-CG2 3.86Å; L485-V502 HydrophobicContact CG-CG2 4.49Å; V498-V502 HydrophobicContact CG1-CG2 4.34Å; V498-V502 WeakPolarHBondContact O-CG2 3.46Å; V498-V502 PolarHBondContact O-N 3.11Å; L499-V502 PolarHBondContact O-N 2.78Å; V502-L504 VanDerWaalsContact C-N 3.34Å; V502-L504 PolarHBondContact O-N 3.11Å; V502-L505 PolarHBondContact O-N 3.43Å; V502-V506 PolarHBondContact O-N 2.98Å; V502-C520 HydrophobicContact CG1-CB 3.71Å; V502-I523 HydrophobicContact CG2-CD1 4.49Å; V502-I523 HydrophobicContact CG2-CG2 4.28Å; V502-L546 HydrophobicContact CG1-CD1 4.03Å |
| 503 | A | 90.5 | Very high | 87.3 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.4 | -49.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | L499 S507 T542 | L499-A503 WeakPolarHBondContact O-CB 3.49Å; L499-A503 PolarHBondContact O-N 2.72Å; A503-S507 WeakPolarHBondContact O-CB 3.21Å; A503-S507 PolarHBondContact O-N 2.93Å; A503-S507 VanDerWaalsContact O-N 3.12Å; A503-S507 PolarHBondContact O-OG 3.31Å; A503-T542 HydrophobicContact CB-CG2 3.83Å |
| 504 | L | 90.1 | Very high | 87.1 | Confident | 49 Ų | 49 | 37.5 Ų | 37.5 | 26% | 0.257 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.1 | -43.7 | 178.2 | -170.9 | 69.8 | 0 | 0 | 0 | 111.9 | Q465 V468 Q500 V502 V506 S507 A508 | Q465-L504 HydrophobicContact CB-CD2 3.92Å; Q465-L504 HydrophobicContact CG-CD2 4.07Å; Q465-L504 WeakPolarHBondContact O-CD2 3.49Å; V468-L504 HydrophobicContact CB-CD2 4Å; V468-L504 HydrophobicContact CB-CG 4.16Å; V468-L504 HydrophobicContact CG1-CB 4.31Å; V468-L504 HydrophobicContact CG1-CD2 4.07Å; V468-L504 HydrophobicContact CG1-CG 3.65Å; V468-L504 WeakPolarHBondContact CG1-O 3.48Å; Q500-L504 WeakPolarHBondContact O-CB 3.31Å; Q500-L504 PolarHBondContact O-N 3.03Å; Q500-L504 VanDerWaalsContact O-N 3.16Å; V502-L504 VanDerWaalsContact C-N 3.34Å; V502-L504 PolarHBondContact O-N 3.11Å; L504-V506 VanDerWaalsContact C-N 3.34Å; L504-V506 PolarHBondContact O-N 3.07Å; L504-S507 PolarHBondContact O-N 3.37Å; L504-A508 VanDerWaalsContact O-CB 3.23Å; L504-A508 WeakPolarHBondContact O-CB 3.5Å; L504-A508 PolarHBondContact O-N 3.41Å |
| 505 | L | 90 | Very high | 86.9 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.5 | -40.4 | -177.1 | -179.4 | 66.7 | 0 | 0 | 0 | 113 | V468 I473 I481 V482 L485 T501 V502 V512 | V468-L505 HydrophobicContact CG1-CB 4.49Å; V468-L505 HydrophobicContact CG2-CB 4.42Å; V468-L505 HydrophobicContact CG2-CD1 3.84Å; I473-L505 HydrophobicContact CD1-CD1 4.3Å; I481-L505 HydrophobicContact CG2-CD1 4.43Å; I481-L505 HydrophobicContact CG2-CD2 3.83Å; V482-L505 HydrophobicContact CG2-CD2 3.71Å; L485-L505 HydrophobicContact CD1-CD2 4.18Å; T501-L505 WeakPolarHBondContact O-CB 3.45Å; T501-L505 PolarHBondContact O-N 2.92Å; V502-L505 PolarHBondContact O-N 3.43Å; L505-V512 HydrophobicContact CD1-CG2 4.17Å; L505-V512 HydrophobicContact CD2-CG2 4Å; L505-V512 HydrophobicContact CG-CG2 3.8Å |
| 506 | V | 87.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -82.5 | -36.7 | 179.5 | 179.3 | 0 | 0 | 0 | 0 | 112 | V502 L504 L517 C520 L546 Q549 R553 | V502-V506 PolarHBondContact O-N 2.98Å; L504-V506 VanDerWaalsContact C-N 3.34Å; L504-V506 PolarHBondContact O-N 3.07Å; V506-L517 HydrophobicContact CB-CD1 4.48Å; V506-L517 HydrophobicContact CG1-CD1 3.6Å; V506-L517 HydrophobicContact CG2-CD1 3.99Å; V506-C520 HydrophobicContact CG2-CB 3.86Å; V506-L546 HydrophobicContact CB-CD2 3.48Å; V506-L546 VanDerWaalsContact CB-CD2 3.48Å; V506-L546 HydrophobicContact CG1-CD2 3.76Å; V506-L546 HydrophobicContact CG2-CD2 3.79Å; V506-Q549 HydrophobicContact CG1-CB 4.45Å; V506-R553 PolarHBondContact O-NH2 2.87Å |
| 507 | S | 85.5 | Confident | 86.7 | Confident | 45 Ų | 45 | 36 Ų | 36 | 32% | 0.315 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -79.8 | -27.1 | -176.9 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | A503 L504 | A503-S507 WeakPolarHBondContact O-CB 3.21Å; A503-S507 PolarHBondContact O-N 2.93Å; A503-S507 VanDerWaalsContact O-N 3.12Å; A503-S507 PolarHBondContact O-OG 3.31Å; L504-S507 PolarHBondContact O-N 3.37Å |
| 508 | A | 80.1 | Confident | 86.6 | Confident | 42 Ų | 42 | 34.6 Ų | 34.6 | 35% | 0.347 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -81.4 | -37.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V468 L504 | V468-A508 HydrophobicContact CG1-CB 3.82Å; L504-A508 VanDerWaalsContact O-CB 3.23Å; L504-A508 WeakPolarHBondContact O-CB 3.5Å; L504-A508 PolarHBondContact O-N 3.41Å |
| 509 | N | 74.5 | Confident | 86.5 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 8% | 0.08 | 21% | 0.21 | C | C | . | . | trans | -135.8 | 123.5 | -164.1 | -60.1 | -53.5 | 0 | 0 | 0 | 113.3 | V468 S471 K511 R553 | V468-N509 PolarHBondContact O-ND2 3.45Å; S471-N509 WeakPolarHBondContact CA-OD1 3.14Å; S471-N509 VanDerWaalsContact CB-OD1 3.24Å; S471-N509 WeakPolarHBondContact CB-OD1 3.45Å; S471-N509 PolarHBondContact OG-OD1 3.49Å; N509-K511 HydrophobicContact CB-CB 4.44Å; N509-K511 HydrophobicContact CB-CG 4.43Å; N509-K511 PolarHBondContact O-N 3.4Å; N509-R553 PolarHBondContact O-NH2 2.92Å; N509-R553 VanDerWaalsContact O-NH2 3.07Å | ||
| 510 | D | 76.5 | Confident | 86.5 | Confident | 75 Ų | 75 | 38.3 Ų | 38.3 | 40% | 0.401 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 22.5 | 174 | -74.4 | -19.8 | 0 | 0 | 0 | 114.5 | R513 R553 | D510-R513 PolarHBondContact O-NE 3.3Å; D510-R513 PolarHBondContact O-NH2 3.45Å; D510-R553 IonicContact OD1-CZ 3.55Å; D510-R553 IonicContact OD1-NE 3.62Å; D510-R553 PolarHBondContact OD1-NE 3.44Å; D510-R553 IonicContact OD1-NH2 2.75Å; D510-R553 PolarHBondContact OD1-NH2 2.91Å |
| 511 | K | 80 | Confident | 86.5 | Confident | 83 Ų | 83 | 33.3 Ų | 33.3 | 36% | 0.361 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -33.5 | 178.7 | -69.4 | -77.1 | 176.9 | 173.1 | 0 | 112.6 | D475 A478 N509 R513 | D475-K511 VanDerWaalsContact CG-CD 3.48Å; D475-K511 WeakPolarHBondContact OD1-CD 3.44Å; D475-K511 IonicContact OD1-NZ 3.4Å; D475-K511 WeakPolarHBondContact OD2-CD 3.36Å; D475-K511 IonicContact OD2-NZ 3.67Å; D475-K511 PolarHBondContact OD2-NZ 3.42Å; A478-K511 HydrophobicContact CB-CB 4.44Å; N509-K511 HydrophobicContact CB-CB 4.44Å; N509-K511 HydrophobicContact CB-CG 4.43Å; N509-K511 PolarHBondContact O-N 3.4Å; K511-R513 PolarHBondContact O-N 3.37Å |
| 512 | V | 84.2 | Confident | 86.5 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.024 | 19% | 0.188 | C | C | . | . | trans | -79.4 | 107.4 | 176.6 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | A478 V482 L505 N516 L517 R553 | A478-V512 HydrophobicContact CB-CG2 4.25Å; V482-V512 HydrophobicContact CG2-CG1 4.27Å; V482-V512 HydrophobicContact CG2-CG2 4.28Å; L505-V512 HydrophobicContact CD1-CG2 4.17Å; L505-V512 HydrophobicContact CD2-CG2 4Å; L505-V512 HydrophobicContact CG-CG2 3.8Å; V512-N516 HydrophobicContact CG1-CB 4.12Å; V512-L517 HydrophobicContact CG1-CB 4.16Å; V512-L517 HydrophobicContact CG1-CD1 4.32Å; V512-R553 PolarHBondContact O-NH1 3.33Å | ||
| 513 | R | 82.6 | Confident | 86.4 | Confident | 148 Ų | 148 | 33.6 Ų | 33.6 | 56% | 0.558 | 19% | 0.189 | S | C | * | . | trans | -128.9 | 163.9 | -174.9 | -60.4 | 178.8 | -173.2 | -179 | 1 | 112.4 | D510 K511 N516 | D510-R513 PolarHBondContact O-NE 3.3Å; D510-R513 PolarHBondContact O-NH2 3.45Å; K511-R513 PolarHBondContact O-N 3.37Å; R513-N516 PolarHBondContact O-N 2.96Å | ||
| 514 | G | 84.1 | Confident | 86.5 | Confident | 28 Ų | 28 | 33 Ų | 33 | 29% | 0.289 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -135.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N516 L517 A518 | G514-N516 PolarHBondContact O-N 3.12Å; G514-N516 VanDerWaalsContact O-N 3.1Å; G514-L517 WeakPolarHBondContact O-CB 3.36Å; G514-L517 PolarHBondContact O-N 2.73Å; G514-A518 PolarHBondContact O-N 3Å; G514-A518 VanDerWaalsContact O-N 3.14Å |
| 515 | A | 85.1 | Confident | 86.4 | Confident | 70 Ų | 70 | 30.9 Ų | 30.9 | 58% | 0.579 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -58.6 | -23.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K519 | A515-K519 WeakPolarHBondContact O-CG 3.46Å; A515-K519 PolarHBondContact O-N 3.26Å |
| 516 | N | 87.9 | Confident | 86.4 | Confident | 40 Ų | 40 | 36.1 Ų | 36.1 | 21% | 0.214 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -78.4 | -29 | 175.9 | -62.1 | -46.1 | 0 | 0 | 0 | 112.1 | V482 V512 R513 G514 C520 | V482-N516 HydrophobicContact CG1-CB 4.3Å; V512-N516 HydrophobicContact CG1-CB 4.12Å; R513-N516 PolarHBondContact O-N 2.96Å; G514-N516 PolarHBondContact O-N 3.12Å; G514-N516 VanDerWaalsContact O-N 3.1Å; N516-C520 PolarHBondContact O-N 3.33Å; N516-C520 VanDerWaalsContact O-N 3.13Å; N516-C520 PolarHBondContact O-SG 3.09Å |
| 517 | L | 89.1 | Confident | 86.4 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.6 | -40.2 | 171.6 | -173.9 | 59.9 | 0 | 0 | 0 | 111 | V506 V512 G514 C520 L521 V550 L564 W583 | V506-L517 HydrophobicContact CB-CD1 4.48Å; V506-L517 HydrophobicContact CG1-CD1 3.6Å; V506-L517 HydrophobicContact CG2-CD1 3.99Å; V512-L517 HydrophobicContact CG1-CB 4.16Å; V512-L517 HydrophobicContact CG1-CD1 4.32Å; G514-L517 WeakPolarHBondContact O-CB 3.36Å; G514-L517 PolarHBondContact O-N 2.73Å; L517-C520 WeakPolarHBondContact O-CB 3.22Å; L517-C520 PolarHBondContact O-N 3.47Å; L517-L521 PolarHBondContact O-N 3.19Å; L517-L521 VanDerWaalsContact O-N 3.13Å; L517-V550 HydrophobicContact CD2-CG2 4.17Å; L517-V550 HydrophobicContact CG-CG2 4.5Å; L517-L564 HydrophobicContact CD2-CD1 4.5Å; L517-W583 HydrophobicContact CB-CH2 4.47Å; L517-W583 HydrophobicContact CB-CZ2 4.34Å; L517-W583 HydrophobicContact CD2-CH2 4.35Å; L517-W583 HydrophobicContact CG-CH2 4.2Å |
| 518 | A | 89.4 | Confident | 86.5 | Confident | 5 Ų | 5 | 35 Ų | 35 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.3 | -50.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111 | G514 C520 L521 V522 W583 L584 | G514-A518 PolarHBondContact O-N 3Å; G514-A518 VanDerWaalsContact O-N 3.14Å; A518-C520 VanDerWaalsContact C-N 3.29Å; A518-C520 PolarHBondContact O-N 3.21Å; A518-L521 WeakPolarHBondContact O-CB 3.41Å; A518-L521 PolarHBondContact O-N 3.04Å; A518-L521 VanDerWaalsContact O-N 3.09Å; A518-V522 VanDerWaalsContact O-CG2 3.22Å; A518-V522 WeakPolarHBondContact O-CG2 3.44Å; A518-V522 PolarHBondContact O-N 2.92Å; A518-W583 HydrophobicContact CB-CD2 4.06Å; A518-W583 HydrophobicContact CB-CE3 4.49Å; A518-W583 HydrophobicContact CB-CH2 4.36Å; A518-W583 HydrophobicContact CB-CZ2 3.91Å; A518-W583 WeakPolarHBondContact CB-O 3.46Å; A518-L584 HydrophobicContact CB-CD2 4.37Å |
| 519 | K | 90.7 | Very high | 86.8 | Confident | 77 Ų | 77 | 37.3 Ų | 37.3 | 34% | 0.335 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -54.8 | -40.2 | 175.9 | -77.1 | 175.7 | -179.1 | 177.9 | 0 | 113.5 | V482 W486 A515 V522 I523 | V482-K519 HydrophobicContact CG1-CB 3.86Å; V482-K519 HydrophobicContact CG1-CD 4.25Å; W486-K519 HydrophobicContact CE3-CB 3.91Å; W486-K519 HydrophobicContact CE3-CD 4.47Å; W486-K519 HydrophobicContact CE3-CG 3.93Å; W486-K519 HydrophobicContact CZ3-CB 4.05Å; W486-K519 HydrophobicContact CZ3-CG 3.92Å; A515-K519 WeakPolarHBondContact O-CG 3.46Å; A515-K519 PolarHBondContact O-N 3.26Å; K519-V522 PolarHBondContact O-N 2.93Å; K519-I523 VanDerWaalsContact O-CG1 3.29Å; K519-I523 WeakPolarHBondContact O-CG1 3.41Å; K519-I523 PolarHBondContact O-N 2.87Å |
| 520 | C | 91.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.4 | -47 | 175.4 | -68.2 | 0 | 0 | 0 | 0 | 112.1 | V502 V506 N516 L517 A518 I523 C524 | V502-C520 HydrophobicContact CG1-CB 3.71Å; V506-C520 HydrophobicContact CG2-CB 3.86Å; N516-C520 PolarHBondContact O-N 3.33Å; N516-C520 VanDerWaalsContact O-N 3.13Å; N516-C520 PolarHBondContact O-SG 3.09Å; L517-C520 WeakPolarHBondContact O-CB 3.22Å; L517-C520 PolarHBondContact O-N 3.47Å; A518-C520 VanDerWaalsContact C-N 3.29Å; A518-C520 PolarHBondContact O-N 3.21Å; C520-I523 PolarHBondContact O-N 3.46Å; C520-C524 PolarHBondContact O-N 3.37Å; C520-C524 PolarHBondContact O-SG 3.22Å |
| 521 | L | 91.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -48.2 | 174.6 | -77.2 | 163.2 | 0 | 0 | 0 | 111.4 | L517 A518 I523 C524 F525 L546 V547 V550 L568 W583 L584 | L517-L521 PolarHBondContact O-N 3.19Å; L517-L521 VanDerWaalsContact O-N 3.13Å; A518-L521 WeakPolarHBondContact O-CB 3.41Å; A518-L521 PolarHBondContact O-N 3.04Å; A518-L521 VanDerWaalsContact O-N 3.09Å; L521-I523 VanDerWaalsContact C-N 3.31Å; L521-I523 PolarHBondContact O-N 3.15Å; L521-C524 PolarHBondContact O-N 2.91Å; L521-F525 HydrophobicContact CB-CD2 4.36Å; L521-F525 HydrophobicContact CB-CE2 4.39Å; L521-F525 HydrophobicContact CD2-CE2 4.43Å; L521-F525 VanDerWaalsContact O-CD2 3.23Å; L521-F525 WeakPolarHBondContact O-CD2 3.3Å; L521-F525 PolarHBondContact O-N 3.39Å; L521-L546 HydrophobicContact CD2-CB 3.51Å; L521-L546 HydrophobicContact CD2-CD1 4.14Å; L521-L546 HydrophobicContact CD2-CG 4.5Å; L521-L546 HydrophobicContact CG-CB 4.42Å; L521-V547 HydrophobicContact CD2-CG2 4.03Å; L521-V550 HydrophobicContact CD1-CG2 4.2Å; L521-L568 HydrophobicContact CD1-CD1 4.31Å; L521-W583 HydrophobicContact CD1-CH2 3.98Å; L521-W583 HydrophobicContact CD1-CZ3 3.73Å; L521-L584 HydrophobicContact CB-CD2 3.87Å; L521-L584 HydrophobicContact CD1-CD2 3.94Å |
| 522 | V | 91.9 | Very high | 88 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.3 | -35.6 | -178.5 | 175.4 | 0 | 0 | 0 | 0 | 112 | W486 A518 K519 F525 R526 L584 I587 | W486-V522 HydrophobicContact CH2-CB 4.37Å; W486-V522 HydrophobicContact CH2-CG1 3.67Å; W486-V522 HydrophobicContact CZ3-CB 3.99Å; W486-V522 HydrophobicContact CZ3-CG1 3.75Å; A518-V522 VanDerWaalsContact O-CG2 3.22Å; A518-V522 WeakPolarHBondContact O-CG2 3.44Å; A518-V522 PolarHBondContact O-N 2.92Å; K519-V522 PolarHBondContact O-N 2.93Å; V522-F525 PolarHBondContact O-N 3.38Å; V522-R526 HydrophobicContact CG1-CG 4.42Å; V522-R526 WeakPolarHBondContact O-CB 3.45Å; V522-R526 WeakPolarHBondContact O-CG 3.41Å; V522-R526 PolarHBondContact O-N 2.95Å; V522-L584 HydrophobicContact CG2-CB 4.11Å; V522-L584 HydrophobicContact CG2-CD2 4.31Å; V522-I587 HydrophobicContact CB-CG1 4.43Å; V522-I587 HydrophobicContact CG1-CG1 4.17Å; V522-I587 HydrophobicContact CG2-CD1 4.41Å; V522-I587 HydrophobicContact CG2-CG1 4.08Å |
| 523 | I | 91.6 | Very high | 88 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.5 | -50.3 | 170.7 | -72.2 | 162.2 | 0 | 0 | 0 | 110.5 | L485 W486 A489 V498 V502 K519 C520 L521 F525 R526 L527 | L485-I523 HydrophobicContact CB-CD1 4.3Å; W486-I523 HydrophobicContact CB-CD1 4.14Å; W486-I523 HydrophobicContact CD2-CG1 4.47Å; W486-I523 HydrophobicContact CE3-CD1 4.02Å; W486-I523 HydrophobicContact CE3-CG1 3.69Å; W486-I523 HydrophobicContact CZ3-CG1 4.25Å; A489-I523 HydrophobicContact CB-CG1 4.24Å; A489-I523 HydrophobicContact CB-CG2 3.81Å; V498-I523 HydrophobicContact CG1-CG2 4.12Å; V502-I523 HydrophobicContact CG2-CD1 4.49Å; V502-I523 HydrophobicContact CG2-CG2 4.28Å; K519-I523 VanDerWaalsContact O-CG1 3.29Å; K519-I523 WeakPolarHBondContact O-CG1 3.41Å; K519-I523 PolarHBondContact O-N 2.87Å; C520-I523 PolarHBondContact O-N 3.46Å; L521-I523 VanDerWaalsContact C-N 3.31Å; L521-I523 PolarHBondContact O-N 3.15Å; I523-F525 PolarHBondContact O-N 3.37Å; I523-R526 PolarHBondContact O-N 2.92Å; I523-L527 HydrophobicContact CG2-CD1 3.92Å; I523-L527 WeakPolarHBondContact O-CG 3.43Å; I523-L527 PolarHBondContact O-N 3.09Å |
| 524 | C | 91.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.8 | -32.3 | -178.4 | -61.5 | 0 | 0 | 0 | 0 | 112.9 | L499 C520 L521 N528 T542 V543 L546 | L499-C524 HydrophobicContact CD2-CB 4.2Å; C520-C524 PolarHBondContact O-N 3.37Å; C520-C524 PolarHBondContact O-SG 3.22Å; L521-C524 PolarHBondContact O-N 2.91Å; C524-N528 PolarHBondContact O-N 2.85Å; C524-T542 HydrophobicContact CB-CG2 4.32Å; C524-T542 WeakPolarHBondContact SG-CG2 3.25Å; C524-V543 HydrophobicContact CB-CG2 3.55Å; C524-L546 HydrophobicContact CB-CD1 4.16Å |
| 525 | F | 89.9 | Confident | 88.4 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.013 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.6 | -44 | 170.6 | -81.6 | -72 | 0 | 0 | 0 | 112.3 | L521 V522 I523 L527 N528 V543 L572 L584 I587 M590 L594 L598 | L521-F525 HydrophobicContact CB-CD2 4.36Å; L521-F525 HydrophobicContact CB-CE2 4.39Å; L521-F525 HydrophobicContact CD2-CE2 4.43Å; L521-F525 VanDerWaalsContact O-CD2 3.23Å; L521-F525 WeakPolarHBondContact O-CD2 3.3Å; L521-F525 PolarHBondContact O-N 3.39Å; V522-F525 PolarHBondContact O-N 3.38Å; I523-F525 PolarHBondContact O-N 3.37Å; F525-L527 PolarHBondContact O-N 3.4Å; F525-N528 WeakPolarHBondContact O-CB 3.45Å; F525-N528 PolarHBondContact O-N 3.07Å; F525-N528 VanDerWaalsContact O-N 3.11Å; F525-V543 HydrophobicContact CD1-CG1 4.17Å; F525-V543 HydrophobicContact CD1-CG2 4.25Å; F525-V543 HydrophobicContact CD2-CG1 4.43Å; F525-V543 HydrophobicContact CD2-CG2 4.43Å; F525-V543 HydrophobicContact CE1-CG1 3.58Å; F525-V543 HydrophobicContact CE1-CG2 4.47Å; F525-V543 HydrophobicContact CE2-CG1 3.87Å; F525-V543 HydrophobicContact CG-CG2 4.23Å; F525-V543 HydrophobicContact CZ-CG1 3.4Å; F525-V543 VanDerWaalsContact CZ-CG1 3.4Å; F525-L572 HydrophobicContact CZ-CD2 4.04Å; F525-L584 HydrophobicContact CE2-CD1 4.05Å; F525-I587 HydrophobicContact CB-CD1 3.7Å; F525-I587 HydrophobicContact CB-CG1 3.91Å; F525-I587 HydrophobicContact CD1-CD1 4.24Å; F525-I587 HydrophobicContact CD2-CD1 3.42Å; F525-I587 VanDerWaalsContact CD2-CD1 3.42Å; F525-I587 HydrophobicContact CD2-CG1 4.45Å; F525-I587 HydrophobicContact CE2-CD1 4.05Å; F525-I587 HydrophobicContact CG-CD1 3.54Å; F525-I587 HydrophobicContact CG-CG1 4.31Å; F525-M590 HydrophobicContact CD1-SD 4.3Å; F525-M590 HydrophobicContact CE1-CG 4.39Å; F525-M590 HydrophobicContact CE1-SD 3.65Å; F525-M590 HydrophobicContact CZ-SD 4.42Å; F525-L594 HydrophobicContact CD1-CD2 4.32Å; F525-L594 HydrophobicContact CE1-CD2 4.24Å; F525-L598 HydrophobicContact CE1-CD1 3.84Å; F525-L598 HydrophobicContact CZ-CD1 3.85Å |
| 526 | R | 88.3 | Confident | 88.4 | Confident | 112 Ų | 112 | 38.9 Ų | 38.9 | 42% | 0.423 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 177.1 | -74.6 | -179 | 66.1 | -157.1 | -3.9 | 112.2 | S490 V522 I523 N528 F529 | S490-R526 PolarHBondContact OG-NH1 2.94Å; V522-R526 HydrophobicContact CG1-CG 4.42Å; V522-R526 WeakPolarHBondContact O-CB 3.45Å; V522-R526 WeakPolarHBondContact O-CG 3.41Å; V522-R526 PolarHBondContact O-N 2.95Å; I523-R526 PolarHBondContact O-N 2.92Å; R526-N528 PolarHBondContact O-N 3Å; R526-F529 PolarHBondContact O-N 3.28Å; R526-F529 VanDerWaalsContact O-N 3.08Å |
| 527 | L | 89.5 | Confident | 88.3 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -71.9 | -7.2 | 175.9 | -65.8 | 176.1 | 0 | 0 | 0 | 113.7 | E495 L499 I523 F525 F529 A530 V535 A539 | E495-L527 HydrophobicContact CB-CD2 4.14Å; E495-L527 HydrophobicContact CG-CD2 3.98Å; E495-L527 VanDerWaalsContact OE1-CD2 3.23Å; E495-L527 WeakPolarHBondContact OE1-CD2 3.49Å; L499-L527 HydrophobicContact CD1-CB 4.43Å; L499-L527 HydrophobicContact CD1-CD1 4.26Å; L499-L527 HydrophobicContact CD2-CB 4.17Å; L499-L527 HydrophobicContact CD2-CD1 3.72Å; L499-L527 HydrophobicContact CG-CD1 3.7Å; I523-L527 HydrophobicContact CG2-CD1 3.92Å; I523-L527 WeakPolarHBondContact O-CG 3.43Å; I523-L527 PolarHBondContact O-N 3.09Å; F525-L527 PolarHBondContact O-N 3.4Å; L527-F529 PolarHBondContact O-N 3.31Å; L527-A530 WeakPolarHBondContact O-CB 3.41Å; L527-A530 PolarHBondContact O-N 2.72Å; L527-V535 HydrophobicContact CB-CG1 4.26Å; L527-V535 HydrophobicContact CD2-CG1 4.49Å; L527-A539 HydrophobicContact CB-CB 4.02Å; L527-A539 WeakPolarHBondContact O-CB 3.33Å |
| 528 | N | 86.7 | Confident | 88.3 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 8% | 0.08 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -69.3 | -16.8 | 166.8 | -150.2 | -94.8 | 0 | 0 | 0 | 112.6 | C524 F525 R526 I536 S540 | C524-N528 PolarHBondContact O-N 2.85Å; F525-N528 WeakPolarHBondContact O-CB 3.45Å; F525-N528 PolarHBondContact O-N 3.07Å; F525-N528 VanDerWaalsContact O-N 3.11Å; R526-N528 PolarHBondContact O-N 3Å; N528-I536 WeakPolarHBondContact O-CG2 3.26Å; N528-S540 VanDerWaalsContact ND2-CA 3.28Å; N528-S540 WeakPolarHBondContact ND2-CA 3.28Å; N528-S540 WeakPolarHBondContact ND2-CB 3.42Å; N528-S540 PolarHBondContact ND2-N 3.17Å |
| 529 | F | 85.6 | Confident | 88.4 | Confident | 91 Ų | 91 | 43.4 Ų | 43.4 | 40% | 0.399 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -109.7 | 19.4 | 176.2 | -62.4 | -92.2 | 0 | 0 | 0 | 112.4 | R526 L527 E589 T591 | R526-F529 PolarHBondContact O-N 3.28Å; R526-F529 VanDerWaalsContact O-N 3.08Å; L527-F529 PolarHBondContact O-N 3.31Å; F529-E589 HydrophobicContact CE1-CB 4.4Å; F529-E589 VanDerWaalsContact CE2-O 3.28Å; F529-E589 WeakPolarHBondContact CE2-O 3.22Å; F529-E589 HydrophobicContact CZ-CB 4.07Å; F529-T591 HydrophobicContact CE1-CG2 4.09Å; F529-T591 HydrophobicContact CZ-CG2 4.14Å |
| 530 | A | 86.5 | Confident | 88.2 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 11% | 0.107 | 21% | 0.211 | C | C | . | . | trans | -65.1 | 164.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L527 V535 I536 | L527-A530 WeakPolarHBondContact O-CB 3.41Å; L527-A530 PolarHBondContact O-N 2.72Å; A530-V535 HydrophobicContact CB-CB 3.95Å; A530-V535 HydrophobicContact CB-CG1 3.47Å; A530-V535 VanDerWaalsContact CB-CG1 3.47Å; A530-I536 VanDerWaalsContact O-CD1 3.24Å; A530-I536 WeakPolarHBondContact O-CD1 3.2Å; A530-I536 WeakPolarHBondContact O-CG1 3.34Å | ||
| 531 | K | 84.5 | Confident | 88 | Confident | 168 Ų | 168 | 43.5 Ų | 43.5 | 73% | 0.73 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -81.5 | -21.4 | -175.6 | -60.2 | 167.5 | -167.4 | 123.5 | 0 | 113.2 | E492 | E492-K531 IonicContact OE1-NZ 2.67Å; E492-K531 PolarHBondContact OE1-NZ 2.82Å; E492-K531 IonicContact OE2-NZ 3.92Å; E492-K531 PolarHBondContact OE2-NZ 3.31Å |
| 532 | D | 85.6 | Confident | 87.9 | Confident | 75 Ų | 75 | 43.9 Ų | 43.9 | 40% | 0.401 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -95.5 | 124.8 | -178.3 | -175.4 | -25.8 | 0 | 0 | 0 | 110.8 | T534 V535 I536 | D532-T534 PolarHBondContact O-N 3.24Å; D532-T534 WeakPolarHBondContact OD1-CA 3.44Å; D532-T534 WeakPolarHBondContact OD1-CB 3.46Å; D532-T534 PolarHBondContact OD1-N 3.06Å; D532-T534 PolarHBondContact OD1-OG1 2.95Å; D532-T534 PolarHBondContact OD2-OG1 3.43Å; D532-V535 HydrophobicContact CB-CB 4.16Å; D532-V535 HydrophobicContact CB-CG2 3.84Å; D532-V535 WeakPolarHBondContact O-CA 3.4Å; D532-V535 WeakPolarHBondContact O-CB 3.46Å; D532-V535 PolarHBondContact O-N 3.41Å; D532-I536 WeakPolarHBondContact O-CG1 3.38Å; D532-I536 PolarHBondContact O-N 3.21Å |
| 533 | S | 83.8 | Confident | 87.9 | Confident | 72 Ų | 72 | 43.8 Ų | 43.8 | 50% | 0.503 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.4 | -31.5 | 177.8 | -174.8 | 0 | 0 | 0 | 0 | 113.1 | I536 N537 | S533-I536 PolarHBondContact O-N 3.17Å; S533-N537 VanDerWaalsContact O-CB 3.29Å; S533-N537 WeakPolarHBondContact O-CB 3.4Å; S533-N537 PolarHBondContact O-N 3.15Å; S533-N537 PolarHBondContact O-ND2 3.02Å; S533-N537 PolarHBondContact OG-ND2 3.48Å |
| 534 | T | 85.2 | Confident | 87.9 | Confident | 71 Ų | 71 | 47.6 Ų | 47.6 | 44% | 0.436 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.7 | -37.5 | 174.6 | 70.9 | 0 | 0 | 0 | 0 | 111.5 | D532 T538 | D532-T534 PolarHBondContact O-N 3.24Å; D532-T534 WeakPolarHBondContact OD1-CA 3.44Å; D532-T534 WeakPolarHBondContact OD1-CB 3.46Å; D532-T534 PolarHBondContact OD1-N 3.06Å; D532-T534 PolarHBondContact OD1-OG1 2.95Å; D532-T534 PolarHBondContact OD2-OG1 3.43Å; T534-T538 VanDerWaalsContact O-CB 3.24Å; T534-T538 WeakPolarHBondContact O-CB 3.48Å; T534-T538 PolarHBondContact O-N 3.46Å; T534-T538 PolarHBondContact O-OG1 3.32Å |
| 535 | V | 89.7 | Confident | 87.8 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.3 | -48.5 | 173.7 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | E495 L496 L499 L527 A530 D532 N537 T538 A539 | E495-V535 HydrophobicContact CB-CG1 3.84Å; E495-V535 HydrophobicContact CB-CG2 4.04Å; L496-V535 HydrophobicContact CD2-CB 4.33Å; L496-V535 HydrophobicContact CD2-CG2 3.75Å; L496-V535 HydrophobicContact CG-CG2 3.85Å; L499-V535 HydrophobicContact CD1-CG1 3.98Å; L527-V535 HydrophobicContact CB-CG1 4.26Å; L527-V535 HydrophobicContact CD2-CG1 4.49Å; A530-V535 HydrophobicContact CB-CB 3.95Å; A530-V535 HydrophobicContact CB-CG1 3.47Å; A530-V535 VanDerWaalsContact CB-CG1 3.47Å; D532-V535 HydrophobicContact CB-CB 4.16Å; D532-V535 HydrophobicContact CB-CG2 3.84Å; D532-V535 WeakPolarHBondContact O-CA 3.4Å; D532-V535 WeakPolarHBondContact O-CB 3.46Å; D532-V535 PolarHBondContact O-N 3.41Å; V535-N537 PolarHBondContact O-N 3.05Å; V535-T538 PolarHBondContact O-N 3.09Å; V535-A539 WeakPolarHBondContact O-CB 3.3Å; V535-A539 PolarHBondContact O-N 2.97Å |
| 536 | I | 86.6 | Confident | 87.9 | Confident | 53 Ų | 53 | 51.5 Ų | 51.5 | 27% | 0.272 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.7 | -49.6 | 176.7 | -64.2 | 162.7 | 0 | 0 | 0 | 111.1 | N528 A530 D532 S533 A539 S540 | N528-I536 WeakPolarHBondContact O-CG2 3.26Å; A530-I536 VanDerWaalsContact O-CD1 3.24Å; A530-I536 WeakPolarHBondContact O-CD1 3.2Å; A530-I536 WeakPolarHBondContact O-CG1 3.34Å; D532-I536 WeakPolarHBondContact O-CG1 3.38Å; D532-I536 PolarHBondContact O-N 3.21Å; S533-I536 PolarHBondContact O-N 3.17Å; I536-A539 PolarHBondContact O-N 2.99Å; I536-S540 WeakPolarHBondContact O-CB 3.32Å; I536-S540 PolarHBondContact O-N 2.96Å |
| 537 | N | 85.4 | Confident | 88 | Confident | 97 Ų | 97 | 46.1 Ų | 46.1 | 52% | 0.519 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.9 | -42.7 | -178.1 | -71.7 | -32 | 0 | 0 | 0 | 111.8 | S533 V535 A539 S540 A541 | S533-N537 VanDerWaalsContact O-CB 3.29Å; S533-N537 WeakPolarHBondContact O-CB 3.4Å; S533-N537 PolarHBondContact O-N 3.15Å; S533-N537 PolarHBondContact O-ND2 3.02Å; S533-N537 PolarHBondContact OG-ND2 3.48Å; V535-N537 PolarHBondContact O-N 3.05Å; N537-A539 VanDerWaalsContact C-N 3.34Å; N537-A539 PolarHBondContact O-N 3.2Å; N537-S540 PolarHBondContact O-N 3.41Å; N537-A541 PolarHBondContact O-N 3.09Å |
| 538 | T | 89.8 | Confident | 88 | Confident | 47 Ų | 47 | 47 Ų | 47 | 29% | 0.288 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 175 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | L496 L499 T534 V535 A541 T542 | L496-T538 HydrophobicContact CD2-CG2 4.36Å; L499-T538 HydrophobicContact CB-CG2 4.18Å; L499-T538 HydrophobicContact CD1-CG2 3.99Å; T534-T538 VanDerWaalsContact O-CB 3.24Å; T534-T538 WeakPolarHBondContact O-CB 3.48Å; T534-T538 PolarHBondContact O-N 3.46Å; T534-T538 PolarHBondContact O-OG1 3.32Å; V535-T538 PolarHBondContact O-N 3.09Å; T538-A541 PolarHBondContact O-N 3.37Å; T538-T542 WeakPolarHBondContact O-CB 3.41Å; T538-T542 PolarHBondContact O-N 2.88Å; T538-T542 PolarHBondContact O-OG1 3.03Å |
| 539 | A | 90.4 | Very high | 88 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L499 L527 V535 I536 N537 A541 T542 V543 | L499-A539 HydrophobicContact CD1-CB 3.9Å; L499-A539 HydrophobicContact CD2-CB 4.02Å; L527-A539 HydrophobicContact CB-CB 4.02Å; L527-A539 WeakPolarHBondContact O-CB 3.33Å; V535-A539 WeakPolarHBondContact O-CB 3.3Å; V535-A539 PolarHBondContact O-N 2.97Å; I536-A539 PolarHBondContact O-N 2.99Å; N537-A539 VanDerWaalsContact C-N 3.34Å; N537-A539 PolarHBondContact O-N 3.2Å; A539-A541 PolarHBondContact O-N 3.17Å; A539-T542 CarbonylContact O-C 3.59Å; A539-T542 PolarHBondContact O-N 3.17Å; A539-T542 VanDerWaalsContact O-N 3.16Å; A539-V543 WeakPolarHBondContact O-CG2 3.34Å; A539-V543 PolarHBondContact O-N 3.43Å |
| 540 | S | 86.6 | Confident | 88.1 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 15% | 0.154 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.4 | -47 | 175.9 | -169.5 | 0 | 0 | 0 | 0 | 112.3 | N528 I536 N537 V543 R544 | N528-S540 VanDerWaalsContact ND2-CA 3.28Å; N528-S540 WeakPolarHBondContact ND2-CA 3.28Å; N528-S540 WeakPolarHBondContact ND2-CB 3.42Å; N528-S540 PolarHBondContact ND2-N 3.17Å; I536-S540 WeakPolarHBondContact O-CB 3.32Å; I536-S540 PolarHBondContact O-N 2.96Å; N537-S540 PolarHBondContact O-N 3.41Å; S540-V543 PolarHBondContact O-N 2.94Å; S540-R544 WeakPolarHBondContact O-CG 3.38Å; S540-R544 PolarHBondContact O-N 3.4Å; S540-R544 VanDerWaalsContact O-N 3.17Å |
| 541 | A | 86.9 | Confident | 88.2 | Confident | 57 Ų | 57 | 43.8 Ų | 43.8 | 47% | 0.471 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | N537 T538 A539 R544 Q545 | N537-A541 PolarHBondContact O-N 3.09Å; T538-A541 PolarHBondContact O-N 3.37Å; A539-A541 PolarHBondContact O-N 3.17Å; A541-R544 PolarHBondContact O-N 2.99Å; A541-Q545 PolarHBondContact O-N 3.29Å |
| 542 | T | 90.5 | Very high | 88.2 | Confident | 9 Ų | 9 | 37.1 Ų | 37.1 | 6% | 0.055 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 177.9 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | A503 C524 T538 A539 R544 Q545 L546 | A503-T542 HydrophobicContact CB-CG2 3.83Å; C524-T542 HydrophobicContact CB-CG2 4.32Å; C524-T542 WeakPolarHBondContact SG-CG2 3.25Å; T538-T542 WeakPolarHBondContact O-CB 3.41Å; T538-T542 PolarHBondContact O-N 2.88Å; T538-T542 PolarHBondContact O-OG1 3.03Å; A539-T542 CarbonylContact O-C 3.59Å; A539-T542 PolarHBondContact O-N 3.17Å; A539-T542 VanDerWaalsContact O-N 3.16Å; T542-R544 VanDerWaalsContact C-N 3.34Å; T542-R544 PolarHBondContact O-N 2.94Å; T542-Q545 WeakPolarHBondContact O-CB 3.18Å; T542-Q545 PolarHBondContact O-N 3.16Å; T542-L546 HydrophobicContact CG2-CD1 4.02Å; T542-L546 HydrophobicContact CG2-CG 4.07Å; T542-L546 WeakPolarHBondContact O-CB 3.31Å; T542-L546 VanDerWaalsContact O-CG 3.28Å; T542-L546 WeakPolarHBondContact O-CG 3.38Å; T542-L546 PolarHBondContact O-N 3Å |
| 543 | V | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.9 | -47.4 | 176.2 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | C524 F525 A539 S540 Q545 L546 V547 L598 | C524-V543 HydrophobicContact CB-CG2 3.55Å; F525-V543 HydrophobicContact CD1-CG1 4.17Å; F525-V543 HydrophobicContact CD1-CG2 4.25Å; F525-V543 HydrophobicContact CD2-CG1 4.43Å; F525-V543 HydrophobicContact CD2-CG2 4.43Å; F525-V543 HydrophobicContact CE1-CG1 3.58Å; F525-V543 HydrophobicContact CE1-CG2 4.47Å; F525-V543 HydrophobicContact CE2-CG1 3.87Å; F525-V543 HydrophobicContact CG-CG2 4.23Å; F525-V543 HydrophobicContact CZ-CG1 3.4Å; F525-V543 VanDerWaalsContact CZ-CG1 3.4Å; A539-V543 WeakPolarHBondContact O-CG2 3.34Å; A539-V543 PolarHBondContact O-N 3.43Å; S540-V543 PolarHBondContact O-N 2.94Å; V543-Q545 PolarHBondContact O-N 2.98Å; V543-L546 PolarHBondContact O-N 3.31Å; V543-V547 HydrophobicContact CG1-CG2 4.21Å; V543-V547 WeakPolarHBondContact O-CB 3.31Å; V543-V547 VanDerWaalsContact O-CG2 3.26Å; V543-V547 WeakPolarHBondContact O-CG2 3.42Å; V543-V547 PolarHBondContact O-N 2.86Å; V543-L598 HydrophobicContact CG1-CD1 3.69Å; V543-L598 HydrophobicContact CG1-CD2 4.03Å |
| 544 | R | 90.5 | Very high | 88.2 | Confident | 84 Ų | 84 | 31.8 Ų | 31.8 | 32% | 0.317 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -56.9 | -48.4 | 175.6 | -67.7 | 172.5 | -163.8 | -126 | -5 | 111.3 | S540 A541 T542 V547 S548 D597 L598 L601 | S540-R544 WeakPolarHBondContact O-CG 3.38Å; S540-R544 PolarHBondContact O-N 3.4Å; S540-R544 VanDerWaalsContact O-N 3.17Å; A541-R544 PolarHBondContact O-N 2.99Å; T542-R544 VanDerWaalsContact C-N 3.34Å; T542-R544 PolarHBondContact O-N 2.94Å; R544-V547 PolarHBondContact O-N 2.93Å; R544-S548 PolarHBondContact O-N 3.33Å; R544-S548 PolarHBondContact O-OG 2.98Å; R544-D597 IonicContact CZ-OD2 3.88Å; R544-D597 IonicContact NH1-OD2 2.67Å; R544-D597 IonicContact NH2-OD2 3.2Å; R544-D597 PolarHBondContact NH2-OD2 3.11Å; R544-L598 HydrophobicContact CB-CD2 4.37Å; R544-L598 HydrophobicContact CG-CD2 3.74Å; R544-L601 HydrophobicContact CB-CD2 3.77Å; R544-L601 HydrophobicContact CG-CD2 4.08Å |
| 545 | Q | 90.6 | Very high | 88 | Confident | 82 Ų | 82 | 35 Ų | 35 | 38% | 0.383 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.4 | -49.4 | 176.9 | -175 | -176.6 | 1.2 | 0 | 0 | 111.9 | A541 T542 V543 S548 Q549 | A541-Q545 PolarHBondContact O-N 3.29Å; T542-Q545 WeakPolarHBondContact O-CB 3.18Å; T542-Q545 PolarHBondContact O-N 3.16Å; V543-Q545 PolarHBondContact O-N 2.98Å; Q545-S548 PolarHBondContact O-N 2.99Å; Q545-Q549 WeakPolarHBondContact O-CG 3.33Å; Q545-Q549 PolarHBondContact O-N 2.87Å |
| 546 | L | 90.9 | Very high | 87.4 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | -178.9 | -67.1 | -179.4 | 0 | 0 | 0 | 112.3 | V502 V506 L521 C524 T542 V543 Q549 V550 | V502-L546 HydrophobicContact CG1-CD1 4.03Å; V506-L546 HydrophobicContact CB-CD2 3.48Å; V506-L546 VanDerWaalsContact CB-CD2 3.48Å; V506-L546 HydrophobicContact CG1-CD2 3.76Å; V506-L546 HydrophobicContact CG2-CD2 3.79Å; L521-L546 HydrophobicContact CD2-CB 3.51Å; L521-L546 HydrophobicContact CD2-CD1 4.14Å; L521-L546 HydrophobicContact CD2-CG 4.5Å; L521-L546 HydrophobicContact CG-CB 4.42Å; C524-L546 HydrophobicContact CB-CD1 4.16Å; T542-L546 HydrophobicContact CG2-CD1 4.02Å; T542-L546 HydrophobicContact CG2-CG 4.07Å; T542-L546 WeakPolarHBondContact O-CB 3.31Å; T542-L546 VanDerWaalsContact O-CG 3.28Å; T542-L546 WeakPolarHBondContact O-CG 3.38Å; T542-L546 PolarHBondContact O-N 3Å; V543-L546 PolarHBondContact O-N 3.31Å; L546-Q549 PolarHBondContact O-N 3.2Å; L546-Q549 VanDerWaalsContact O-N 3.14Å; L546-V550 PolarHBondContact O-N 3.24Å |
| 547 | V | 91 | Very high | 86.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.2 | -45.1 | 176 | 166.8 | 0 | 0 | 0 | 0 | 110.7 | L521 V543 R544 Q549 V550 F551 L568 L598 L602 | L521-V547 HydrophobicContact CD2-CG2 4.03Å; V543-V547 HydrophobicContact CG1-CG2 4.21Å; V543-V547 WeakPolarHBondContact O-CB 3.31Å; V543-V547 VanDerWaalsContact O-CG2 3.26Å; V543-V547 WeakPolarHBondContact O-CG2 3.42Å; V543-V547 PolarHBondContact O-N 2.86Å; R544-V547 PolarHBondContact O-N 2.93Å; V547-Q549 VanDerWaalsContact C-N 3.31Å; V547-Q549 PolarHBondContact O-N 3.02Å; V547-V550 PolarHBondContact O-N 3.39Å; V547-F551 PolarHBondContact O-N 2.98Å; V547-L568 HydrophobicContact CG1-CD2 4.26Å; V547-L568 HydrophobicContact CG2-CD2 4.29Å; V547-L598 HydrophobicContact CB-CD2 4.34Å; V547-L598 HydrophobicContact CG1-CD2 4.44Å; V547-L598 HydrophobicContact CG2-CD2 4.22Å; V547-L602 HydrophobicContact CG1-CD1 4.1Å; V547-L602 HydrophobicContact CG1-CD2 3.52Å; V547-L602 HydrophobicContact CG1-CG 3.85Å |
| 548 | S | 89.2 | Confident | 85.6 | Confident | 24 Ų | 24 | 43.1 Ų | 43.1 | 17% | 0.168 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.4 | -34 | 171.8 | -65.3 | 0 | 0 | 0 | 0 | 112.9 | R544 Q545 F551 E552 Q605 | R544-S548 PolarHBondContact O-N 3.33Å; R544-S548 PolarHBondContact O-OG 2.98Å; Q545-S548 PolarHBondContact O-N 2.99Å; S548-F551 PolarHBondContact O-N 3.46Å; S548-E552 WeakPolarHBondContact O-CB 3.3Å; S548-E552 PolarHBondContact O-N 3.06Å; S548-Q605 PolarHBondContact OG-OE1 2.98Å |
| 549 | Q | 86.7 | Confident | 84.5 | Confident | 49 Ų | 49 | 46.5 Ų | 46.5 | 23% | 0.229 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.3 | -33.5 | 175.5 | -69.2 | -60.6 | -34.4 | 0 | 0 | 113.3 | V506 Q545 L546 V547 F551 E552 R553 | V506-Q549 HydrophobicContact CG1-CB 4.45Å; Q545-Q549 WeakPolarHBondContact O-CG 3.33Å; Q545-Q549 PolarHBondContact O-N 2.87Å; L546-Q549 PolarHBondContact O-N 3.2Å; L546-Q549 VanDerWaalsContact O-N 3.14Å; V547-Q549 VanDerWaalsContact C-N 3.31Å; V547-Q549 PolarHBondContact O-N 3.02Å; Q549-F551 VanDerWaalsContact C-N 3.34Å; Q549-E552 PolarHBondContact O-N 3.42Å; Q549-R553 WeakPolarHBondContact O-CG 3.45Å; Q549-R553 PolarHBondContact O-N 3.3Å |
| 550 | V | 88.3 | Confident | 83.7 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 171.3 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | L517 L521 L546 V547 R553 A554 L564 A565 L568 | L517-V550 HydrophobicContact CD2-CG2 4.17Å; L517-V550 HydrophobicContact CG-CG2 4.5Å; L521-V550 HydrophobicContact CD1-CG2 4.2Å; L546-V550 PolarHBondContact O-N 3.24Å; V547-V550 PolarHBondContact O-N 3.39Å; V550-R553 WeakPolarHBondContact O-CB 3.49Å; V550-R553 PolarHBondContact O-N 3.36Å; V550-A554 PolarHBondContact O-N 3.41Å; V550-A554 VanDerWaalsContact O-N 3.09Å; V550-L564 HydrophobicContact CG1-CB 4.48Å; V550-A565 HydrophobicContact CG1-CB 4.34Å; V550-L568 HydrophobicContact CB-CD2 3.79Å; V550-L568 HydrophobicContact CG1-CD2 3.76Å; V550-L568 HydrophobicContact CG2-CD2 4.08Å |
| 551 | F | 88.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.2 | -34.8 | 177.1 | -92.2 | -101.7 | 0 | 0 | 0 | 113.2 | V547 S548 Q549 R553 A554 R555 A565 L568 V569 L602 N606 L609 F610 F616 | V547-F551 PolarHBondContact O-N 2.98Å; S548-F551 PolarHBondContact O-N 3.46Å; Q549-F551 VanDerWaalsContact C-N 3.34Å; F551-R553 VanDerWaalsContact C-N 3.3Å; F551-R553 PolarHBondContact O-N 2.84Å; F551-A554 CarbonylContact O-C 3.56Å; F551-A554 WeakPolarHBondContact O-CA 3.35Å; F551-A554 WeakPolarHBondContact O-CB 3.39Å; F551-A554 PolarHBondContact O-N 2.89Å; F551-A554 VanDerWaalsContact O-N 3.08Å; F551-R555 WeakPolarHBondContact O-CG 3.34Å; F551-R555 PolarHBondContact O-N 3.15Å; F551-A565 HydrophobicContact CD1-CB 4.46Å; F551-A565 HydrophobicContact CD2-CB 4.02Å; F551-A565 HydrophobicContact CE1-CB 4.17Å; F551-A565 HydrophobicContact CE2-CB 3.69Å; F551-A565 HydrophobicContact CG-CB 4.41Å; F551-A565 HydrophobicContact CZ-CB 3.78Å; F551-L568 HydrophobicContact CD2-CD2 4.49Å; F551-L568 HydrophobicContact CE2-CD2 4.38Å; F551-V569 HydrophobicContact CE2-CG2 4.08Å; F551-V569 HydrophobicContact CZ-CG2 3.59Å; F551-L602 HydrophobicContact CB-CD2 4.38Å; F551-L602 HydrophobicContact CD1-CD2 4.15Å; F551-L602 HydrophobicContact CD2-CD1 4.48Å; F551-L602 HydrophobicContact CD2-CD2 3.23Å; F551-L602 HydrophobicContact CD2-CG 4.47Å; F551-L602 HydrophobicContact CE1-CD2 4.28Å; F551-L602 HydrophobicContact CE2-CD1 3.83Å; F551-L602 HydrophobicContact CE2-CD2 3.4Å; F551-L602 HydrophobicContact CE2-CG 4.22Å; F551-L602 HydrophobicContact CG-CD2 3.63Å; F551-L602 HydrophobicContact CZ-CD1 4.18Å; F551-L602 HydrophobicContact CZ-CD2 3.92Å; F551-N606 HydrophobicContact CD1-CB 3.97Å; F551-N606 VanDerWaalsContact CD1-CG 3.46Å; F551-N606 HydrophobicContact CE1-CB 4.41Å; F551-L609 HydrophobicContact CD1-CD1 3.99Å; F551-L609 HydrophobicContact CE1-CD1 4.39Å; F551-F610 AromaticContact CE1-CE2 3.63Å; F551-F610 HydrophobicContact CE1-CE2 3.63Å; F551-F610 AromaticContact CE1-CZ 3.96Å; F551-F610 HydrophobicContact CE1-CZ 3.96Å; F551-F610 HydrophobicContact CZ-CE2 4.13Å; F551-F610 HydrophobicContact CZ-CZ 4.02Å; F551-F616 HydrophobicContact CE1-CD1 4.3Å; F551-F616 AromaticContact CE1-CE1 3.7Å; F551-F616 HydrophobicContact CE1-CE1 3.7Å; F551-F616 HydrophobicContact CE1-CZ 4.48Å; F551-F616 AromaticContact CZ-CE1 3.82Å; F551-F616 HydrophobicContact CZ-CE1 3.82Å |
| 552 | E | 84.5 | Confident | 82.8 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 14% | 0.136 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.1 | -38.2 | 172.1 | 179.5 | 61.6 | -178.8 | 0 | 0 | 111.8 | S548 Q549 A554 R555 R556 | S548-E552 WeakPolarHBondContact O-CB 3.3Å; S548-E552 PolarHBondContact O-N 3.06Å; Q549-E552 PolarHBondContact O-N 3.42Å; E552-A554 VanDerWaalsContact C-N 3.35Å; E552-R555 PolarHBondContact O-N 3.38Å; E552-R555 IonicContact OE2-CZ 2.66Å; E552-R555 IonicContact OE2-NE 2.81Å; E552-R555 PolarHBondContact OE2-NE 3.2Å; E552-R555 IonicContact OE2-NH2 3.2Å; E552-R555 PolarHBondContact OE2-NH2 3.16Å; E552-R556 VanDerWaalsContact O-CG 3.31Å; E552-R556 WeakPolarHBondContact O-CG 3.43Å; E552-R556 PolarHBondContact O-N 3.05Å; E552-R556 IonicContact OE1-CZ 2.68Å; E552-R556 IonicContact OE1-NE 3.54Å; E552-R556 PolarHBondContact OE1-NE 2.89Å; E552-R556 IonicContact OE1-NH2 3.95Å; E552-R556 PolarHBondContact OE1-NH2 3.24Å |
| 553 | R | 84.5 | Confident | 82.5 | Confident | 29 Ų | 29 | 55.9 Ų | 55.9 | 11% | 0.109 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 170.6 | -71.1 | 169.5 | 175.4 | -177.4 | 2.7 | 112.3 | V506 N509 D510 V512 Q549 V550 F551 R555 R556 A557 | V506-R553 PolarHBondContact O-NH2 2.87Å; N509-R553 PolarHBondContact O-NH2 2.92Å; N509-R553 VanDerWaalsContact O-NH2 3.07Å; D510-R553 IonicContact OD1-CZ 3.55Å; D510-R553 IonicContact OD1-NE 3.62Å; D510-R553 PolarHBondContact OD1-NE 3.44Å; D510-R553 IonicContact OD1-NH2 2.75Å; D510-R553 PolarHBondContact OD1-NH2 2.91Å; V512-R553 PolarHBondContact O-NH1 3.33Å; Q549-R553 WeakPolarHBondContact O-CG 3.45Å; Q549-R553 PolarHBondContact O-N 3.3Å; V550-R553 WeakPolarHBondContact O-CB 3.49Å; V550-R553 PolarHBondContact O-N 3.36Å; F551-R553 VanDerWaalsContact C-N 3.3Å; F551-R553 PolarHBondContact O-N 2.84Å; R553-R555 VanDerWaalsContact C-N 3.34Å; R553-R556 PolarHBondContact O-N 3.17Å; R553-A557 WeakPolarHBondContact O-CB 3.02Å; R553-A557 PolarHBondContact O-N 3.16Å |
| 554 | A | 83 | Confident | 82.2 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 5% | 0.05 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66 | -32.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V550 F551 E552 R556 G561 A565 L609 | V550-A554 PolarHBondContact O-N 3.41Å; V550-A554 VanDerWaalsContact O-N 3.09Å; F551-A554 CarbonylContact O-C 3.56Å; F551-A554 WeakPolarHBondContact O-CA 3.35Å; F551-A554 WeakPolarHBondContact O-CB 3.39Å; F551-A554 PolarHBondContact O-N 2.89Å; F551-A554 VanDerWaalsContact O-N 3.08Å; E552-A554 VanDerWaalsContact C-N 3.35Å; A554-R556 VanDerWaalsContact C-N 3.34Å; A554-G561 WeakPolarHBondContact CB-O 3.46Å; A554-A565 HydrophobicContact CB-CB 3.78Å; A554-L609 HydrophobicContact CB-CD1 4.41Å |
| 555 | R | 82.7 | Confident | 82.1 | Confident | 139 Ų | 139 | 53.9 Ų | 53.9 | 53% | 0.525 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.8 | -28.5 | 171.8 | -64.6 | -163.4 | -61.1 | -160.1 | 7.5 | 113.1 | F551 E552 R553 Q605 L609 | F551-R555 WeakPolarHBondContact O-CG 3.34Å; F551-R555 PolarHBondContact O-N 3.15Å; E552-R555 PolarHBondContact O-N 3.38Å; E552-R555 IonicContact OE2-CZ 2.66Å; E552-R555 IonicContact OE2-NE 2.81Å; E552-R555 PolarHBondContact OE2-NE 3.2Å; E552-R555 IonicContact OE2-NH2 3.2Å; E552-R555 PolarHBondContact OE2-NH2 3.16Å; R553-R555 VanDerWaalsContact C-N 3.34Å; R555-Q605 PolarHBondContact NH1-O 2.76Å; R555-Q605 VanDerWaalsContact NH1-O 3.16Å; R555-L609 HydrophobicContact CG-CD1 3.92Å; R555-L609 HydrophobicContact CG-CG 4.44Å |
| 556 | R | 76.5 | Confident | 82 | Confident | 150 Ų | 150 | 51.1 Ų | 51.1 | 57% | 0.566 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -92.8 | -26.3 | -176.9 | -69 | 175.4 | -172.6 | -175.2 | 4.8 | 115.1 | E552 R553 A554 | E552-R556 VanDerWaalsContact O-CG 3.31Å; E552-R556 WeakPolarHBondContact O-CG 3.43Å; E552-R556 PolarHBondContact O-N 3.05Å; E552-R556 IonicContact OE1-CZ 2.68Å; E552-R556 IonicContact OE1-NE 3.54Å; E552-R556 PolarHBondContact OE1-NE 2.89Å; E552-R556 IonicContact OE1-NH2 3.95Å; E552-R556 PolarHBondContact OE1-NH2 3.24Å; R553-R556 PolarHBondContact O-N 3.17Å; A554-R556 VanDerWaalsContact C-N 3.34Å |
| 557 | A | 67.4 | Low | 82 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 40% | 0.397 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -131.3 | 132.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R553 | R553-A557 WeakPolarHBondContact O-CB 3.02Å; R553-A557 PolarHBondContact O-N 3.16Å |
| 558 | N | 66.9 | Low | 82.1 | Confident | 126 Ų | 126 | 53.1 Ų | 53.1 | 67% | 0.674 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -64 | 150.8 | 175 | -78 | -14.5 | 0 | 0 | 0 | 112.3 | Q560 | N558-Q560 VanDerWaalsContact C-N 3.32Å; N558-Q560 PolarHBondContact O-N 2.97Å |
| 559 | D | 67.6 | Low | 82.2 | Confident | 118 Ų | 118 | 52 Ų | 52 | 63% | 0.631 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | -64.8 | 168.7 | -54.2 | -7.5 | 0 | 0 | 0 | 117.2 | G561 N562 Q563 | D559-G561 VanDerWaalsContact C-N 3.29Å; D559-G561 PolarHBondContact O-N 3.29Å; D559-N562 PolarHBondContact O-N 3.06Å; D559-Q563 WeakPolarHBondContact O-CB 3.47Å; D559-Q563 PolarHBondContact O-N 3.03Å |
| 560 | Q | 71.7 | Confident | 82.4 | Confident | 142 Ų | 142 | 52.5 Ų | 52.5 | 66% | 0.664 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.5 | -35.4 | 176.3 | -74.2 | -168.3 | -8.4 | 0 | 0 | 112.6 | N558 L564 | N558-Q560 VanDerWaalsContact C-N 3.32Å; N558-Q560 PolarHBondContact O-N 2.97Å; Q560-L564 WeakPolarHBondContact O-CG 3.44Å; Q560-L564 PolarHBondContact O-N 2.63Å |
| 561 | G | 75.2 | Confident | 82.6 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.7 | -47.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A554 D559 L564 A565 | A554-G561 WeakPolarHBondContact CB-O 3.46Å; D559-G561 VanDerWaalsContact C-N 3.29Å; D559-G561 PolarHBondContact O-N 3.29Å; G561-L564 PolarHBondContact O-N 2.65Å; G561-A565 PolarHBondContact O-N 3.07Å |
| 562 | N | 80.2 | Confident | 82.7 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 5% | 0.053 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.7 | -48 | 176.5 | -65.6 | -32.7 | 0 | 0 | 0 | 111.6 | D559 L564 A565 T566 F616 | D559-N562 PolarHBondContact O-N 3.06Å; N562-L564 VanDerWaalsContact C-N 3.32Å; N562-L564 PolarHBondContact O-N 2.85Å; N562-A565 CarbonylContact O-C 3.54Å; N562-A565 PolarHBondContact O-N 2.57Å; N562-T566 WeakPolarHBondContact O-CG2 3.36Å; N562-T566 PolarHBondContact O-N 3.32Å; N562-T566 PolarHBondContact O-OG1 2.89Å; N562-F616 HydrophobicContact CB-CE2 4.08Å; N562-F616 HydrophobicContact CB-CZ 4.43Å |
| 563 | Q | 84.1 | Confident | 83 | Confident | 125 Ų | 125 | 51.4 Ų | 51.4 | 58% | 0.584 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.8 | -35.4 | -176.6 | -168.6 | 180 | 25.4 | 0 | 0 | 113.3 | D559 T566 L567 | D559-Q563 WeakPolarHBondContact O-CB 3.47Å; D559-Q563 PolarHBondContact O-N 3.03Å; Q563-T566 WeakPolarHBondContact CA-OG1 3.47Å; Q563-T566 PolarHBondContact O-OG1 2.79Å; Q563-L567 HydrophobicContact CG-CD1 4.5Å; Q563-L567 WeakPolarHBondContact O-CB 3.25Å; Q563-L567 WeakPolarHBondContact O-CD1 3.49Å; Q563-L567 VanDerWaalsContact O-CG 3.29Å; Q563-L567 WeakPolarHBondContact O-CG 3.38Å; Q563-L567 PolarHBondContact O-N 3.45Å |
| 564 | L | 85.5 | Confident | 83.3 | Confident | 41 Ų | 41 | 53.7 Ų | 53.7 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.1 | -34.5 | 174.9 | -66.9 | 174.6 | 0 | 0 | 0 | 112 | L517 V550 Q560 G561 N562 L568 W583 | L517-L564 HydrophobicContact CD2-CD1 4.5Å; V550-L564 HydrophobicContact CG1-CB 4.48Å; Q560-L564 WeakPolarHBondContact O-CG 3.44Å; Q560-L564 PolarHBondContact O-N 2.63Å; G561-L564 PolarHBondContact O-N 2.65Å; N562-L564 VanDerWaalsContact C-N 3.32Å; N562-L564 PolarHBondContact O-N 2.85Å; L564-L568 WeakPolarHBondContact O-CB 3.31Å; L564-L568 PolarHBondContact O-N 3.22Å; L564-L568 VanDerWaalsContact O-N 3.12Å; L564-W583 HydrophobicContact CD2-CZ2 3.81Å |
| 565 | A | 88.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -74.3 | -34.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | V550 F551 A554 G561 N562 L568 V569 F616 | V550-A565 HydrophobicContact CG1-CB 4.34Å; F551-A565 HydrophobicContact CD1-CB 4.46Å; F551-A565 HydrophobicContact CD2-CB 4.02Å; F551-A565 HydrophobicContact CE1-CB 4.17Å; F551-A565 HydrophobicContact CE2-CB 3.69Å; F551-A565 HydrophobicContact CG-CB 4.41Å; F551-A565 HydrophobicContact CZ-CB 3.78Å; A554-A565 HydrophobicContact CB-CB 3.78Å; G561-A565 PolarHBondContact O-N 3.07Å; N562-A565 CarbonylContact O-C 3.54Å; N562-A565 PolarHBondContact O-N 2.57Å; A565-L568 PolarHBondContact O-N 3.15Å; A565-V569 WeakPolarHBondContact O-CG2 3.48Å; A565-V569 PolarHBondContact O-N 3.19Å; A565-V569 VanDerWaalsContact O-N 3.1Å; A565-F616 HydrophobicContact CB-CE1 3.99Å; A565-F616 HydrophobicContact CB-CZ 3.83Å |
| 566 | T | 89.6 | Confident | 83.9 | Confident | 25 Ų | 25 | 47.3 Ų | 47.3 | 15% | 0.153 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68 | -46.4 | 173.7 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | N562 Q563 L568 V569 E570 E615 F616 L619 | N562-T566 WeakPolarHBondContact O-CG2 3.36Å; N562-T566 PolarHBondContact O-N 3.32Å; N562-T566 PolarHBondContact O-OG1 2.89Å; Q563-T566 WeakPolarHBondContact CA-OG1 3.47Å; Q563-T566 PolarHBondContact O-OG1 2.79Å; T566-L568 VanDerWaalsContact C-N 3.29Å; T566-L568 PolarHBondContact O-N 3.34Å; T566-V569 PolarHBondContact O-N 3.04Å; T566-E570 PolarHBondContact O-N 2.66Å; T566-E615 HydrophobicContact CG2-CB 4.09Å; T566-F616 HydrophobicContact CG2-CD1 4.29Å; T566-F616 HydrophobicContact CG2-CD2 4.35Å; T566-F616 HydrophobicContact CG2-CE1 3.94Å; T566-F616 HydrophobicContact CG2-CE2 4.04Å; T566-F616 HydrophobicContact CG2-CG 4.5Å; T566-F616 HydrophobicContact CG2-CZ 3.82Å; T566-L619 HydrophobicContact CG2-CD1 3.77Å |
| 567 | L | 90.4 | Very high | 84.4 | Confident | 43 Ų | 43 | 41.8 Ų | 41.8 | 23% | 0.225 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.6 | -39.4 | 173.6 | -73.7 | 169.7 | 0 | 0 | 0 | 112.3 | Q563 E570 D571 W583 | Q563-L567 HydrophobicContact CG-CD1 4.5Å; Q563-L567 WeakPolarHBondContact O-CB 3.25Å; Q563-L567 WeakPolarHBondContact O-CD1 3.49Å; Q563-L567 VanDerWaalsContact O-CG 3.29Å; Q563-L567 WeakPolarHBondContact O-CG 3.38Å; Q563-L567 PolarHBondContact O-N 3.45Å; L567-E570 PolarHBondContact O-N 3.34Å; L567-D571 WeakPolarHBondContact O-CB 3.42Å; L567-D571 PolarHBondContact O-N 3.33Å; L567-W583 HydrophobicContact CB-CB 4.24Å; L567-W583 HydrophobicContact CB-CG 4.43Å; L567-W583 HydrophobicContact CD1-CG 4.44Å |
| 568 | L | 92 | Very high | 85.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.9 | -39.5 | 176.3 | 177.7 | 58.8 | 0 | 0 | 0 | 112.5 | L521 V547 V550 F551 L564 A565 T566 L572 W583 L584 | L521-L568 HydrophobicContact CD1-CD1 4.31Å; V547-L568 HydrophobicContact CG1-CD2 4.26Å; V547-L568 HydrophobicContact CG2-CD2 4.29Å; V550-L568 HydrophobicContact CB-CD2 3.79Å; V550-L568 HydrophobicContact CG1-CD2 3.76Å; V550-L568 HydrophobicContact CG2-CD2 4.08Å; F551-L568 HydrophobicContact CD2-CD2 4.49Å; F551-L568 HydrophobicContact CE2-CD2 4.38Å; L564-L568 WeakPolarHBondContact O-CB 3.31Å; L564-L568 PolarHBondContact O-N 3.22Å; L564-L568 VanDerWaalsContact O-N 3.12Å; A565-L568 PolarHBondContact O-N 3.15Å; T566-L568 VanDerWaalsContact C-N 3.29Å; T566-L568 PolarHBondContact O-N 3.34Å; L568-L572 HydrophobicContact CD1-CD1 4.13Å; L568-L572 HydrophobicContact CD1-CG 4.27Å; L568-L572 HydrophobicContact CG-CD1 4.17Å; L568-L572 WeakPolarHBondContact O-CB 3.34Å; L568-L572 WeakPolarHBondContact O-CD1 3.23Å; L568-L572 WeakPolarHBondContact O-CG 3.43Å; L568-L572 PolarHBondContact O-N 2.66Å; L568-W583 HydrophobicContact CB-CZ3 4.34Å; L568-W583 HydrophobicContact CD1-CZ3 4.44Å; L568-L584 HydrophobicContact CD1-CD1 3.94Å |
| 569 | V | 91.3 | Very high | 86.2 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.5 | -44.2 | 175.1 | 167.8 | 0 | 0 | 0 | 0 | 111.3 | F551 A565 T566 L572 C573 L602 F610 L619 M624 | F551-V569 HydrophobicContact CE2-CG2 4.08Å; F551-V569 HydrophobicContact CZ-CG2 3.59Å; A565-V569 WeakPolarHBondContact O-CG2 3.48Å; A565-V569 PolarHBondContact O-N 3.19Å; A565-V569 VanDerWaalsContact O-N 3.1Å; T566-V569 PolarHBondContact O-N 3.04Å; V569-L572 PolarHBondContact O-N 3.08Å; V569-C573 PolarHBondContact O-N 3.4Å; V569-C573 PolarHBondContact O-SG 2.85Å; V569-L602 HydrophobicContact CG2-CD1 3.92Å; V569-F610 HydrophobicContact CG2-CE1 4.33Å; V569-F610 HydrophobicContact CG2-CZ 3.85Å; V569-L619 HydrophobicContact CB-CD1 4.15Å; V569-L619 HydrophobicContact CG1-CB 4.18Å; V569-L619 HydrophobicContact CG1-CD1 4.08Å; V569-M624 HydrophobicContact CG1-CE 4.32Å; V569-M624 HydrophobicContact CG1-CG 4.13Å; V569-M624 HydrophobicContact CG1-SD 3.72Å |
| 570 | E | 92.1 | Very high | 87 | Confident | 58 Ų | 58 | 42 Ų | 42 | 27% | 0.271 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.6 | -47.2 | 179.2 | -162.2 | -169.4 | 153 | 0 | 0 | 111.1 | T566 L567 L572 C573 R574 L619 | T566-E570 PolarHBondContact O-N 2.66Å; L567-E570 PolarHBondContact O-N 3.34Å; E570-L572 PolarHBondContact O-N 3.31Å; E570-C573 PolarHBondContact O-N 3.23Å; E570-R574 WeakPolarHBondContact O-CD 3.4Å; E570-R574 VanDerWaalsContact O-CG 3.3Å; E570-R574 WeakPolarHBondContact O-CG 3.46Å; E570-R574 PolarHBondContact O-N 2.95Å; E570-R574 IonicContact OE1-CZ 2.68Å; E570-R574 IonicContact OE1-NE 3.67Å; E570-R574 PolarHBondContact OE1-NE 3.33Å; E570-R574 IonicContact OE1-NH2 3.49Å; E570-R574 PolarHBondContact OE1-NH2 3.11Å; E570-L619 HydrophobicContact CB-CD2 4.35Å |
| 571 | D | 91.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.9 | -40 | 176.3 | -83.1 | 2.6 | 0 | 0 | 0 | 112.8 | L567 R574 L575 P581 V582 W583 L584 | L567-D571 WeakPolarHBondContact O-CB 3.42Å; L567-D571 PolarHBondContact O-N 3.33Å; D571-R574 PolarHBondContact O-N 3.02Å; D571-L575 VanDerWaalsContact O-CB 3.3Å; D571-L575 WeakPolarHBondContact O-CB 3.49Å; D571-L575 WeakPolarHBondContact O-CD1 3.11Å; D571-L575 WeakPolarHBondContact O-CG 2.92Å; D571-L575 PolarHBondContact O-N 3.31Å; D571-P581 HydrophobicContact CB-CB 4.01Å; D571-P581 VanDerWaalsContact CG-CB 3.49Å; D571-P581 WeakPolarHBondContact OD1-CA 3.35Å; D571-P581 WeakPolarHBondContact OD2-CB 3.44Å; D571-V582 PolarHBondContact OD1-N 2.69Å; D571-V582 PolarHBondContact OD2-N 3.3Å; D571-W583 WeakPolarHBondContact OD2-CA 3.49Å; D571-W583 WeakPolarHBondContact OD2-CB 3.43Å; D571-W583 PolarHBondContact OD2-N 3.06Å; D571-L584 HydrophobicContact CB-CD1 4.17Å; D571-L584 HydrophobicContact CB-CG 4.31Å; D571-L584 PolarHBondContact OD2-N 3.23Å |
| 572 | L | 91.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.5 | -41 | 174.8 | -76.4 | 169.6 | 0 | 0 | 0 | 111.6 | F525 L568 V569 E570 V576 M590 L598 L602 | F525-L572 HydrophobicContact CZ-CD2 4.04Å; L568-L572 HydrophobicContact CD1-CD1 4.13Å; L568-L572 HydrophobicContact CD1-CG 4.27Å; L568-L572 HydrophobicContact CG-CD1 4.17Å; L568-L572 WeakPolarHBondContact O-CB 3.34Å; L568-L572 WeakPolarHBondContact O-CD1 3.23Å; L568-L572 WeakPolarHBondContact O-CG 3.43Å; L568-L572 PolarHBondContact O-N 2.66Å; V569-L572 PolarHBondContact O-N 3.08Å; E570-L572 PolarHBondContact O-N 3.31Å; L572-V576 WeakPolarHBondContact O-CG2 3.49Å; L572-V576 PolarHBondContact O-N 3.37Å; L572-M590 HydrophobicContact CD2-CE 4.33Å; L572-M590 HydrophobicContact CD2-SD 4.07Å; L572-L598 HydrophobicContact CD1-CB 4.38Å; L572-L598 HydrophobicContact CD2-CB 4.38Å; L572-L598 HydrophobicContact CD2-CD1 3.86Å; L572-L602 HydrophobicContact CD1-CD1 3.76Å |
| 573 | C | 91 | Very high | 88.9 | Confident | 8 Ų | 8 | 40.3 Ų | 40.3 | 5% | 0.054 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.7 | -47.1 | 176.2 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | V569 E570 V576 N577 L627 | V569-C573 PolarHBondContact O-N 3.4Å; V569-C573 PolarHBondContact O-SG 2.85Å; E570-C573 PolarHBondContact O-N 3.23Å; C573-V576 PolarHBondContact O-N 3.38Å; C573-N577 VanDerWaalsContact O-CB 3.29Å; C573-N577 WeakPolarHBondContact O-CB 3.18Å; C573-N577 PolarHBondContact O-N 3.49Å; C573-L627 HydrophobicContact CB-CD2 4.03Å |
| 574 | R | 90.2 | Very high | 89.1 | Confident | 78 Ų | 78 | 34.3 Ų | 34.3 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -55.8 | -51.7 | 174.5 | -72.3 | 161.7 | 173 | -101.3 | 3.4 | 111 | E570 D571 V576 N577 T578 E579 V582 | E570-R574 WeakPolarHBondContact O-CD 3.4Å; E570-R574 VanDerWaalsContact O-CG 3.3Å; E570-R574 WeakPolarHBondContact O-CG 3.46Å; E570-R574 PolarHBondContact O-N 2.95Å; E570-R574 IonicContact OE1-CZ 2.68Å; E570-R574 IonicContact OE1-NE 3.67Å; E570-R574 PolarHBondContact OE1-NE 3.33Å; E570-R574 IonicContact OE1-NH2 3.49Å; E570-R574 PolarHBondContact OE1-NH2 3.11Å; D571-R574 PolarHBondContact O-N 3.02Å; R574-V576 PolarHBondContact O-N 3.11Å; R574-N577 CarbonylContact O-C 3.57Å; R574-N577 VanDerWaalsContact O-C 3.28Å; R574-N577 WeakPolarHBondContact O-CA 3.39Å; R574-N577 WeakPolarHBondContact O-CB 3.44Å; R574-N577 PolarHBondContact O-N 3.14Å; R574-T578 PolarHBondContact O-N 3.37Å; R574-T578 VanDerWaalsContact O-N 3.09Å; R574-E579 CarbonylContact C-O 3.58Å; R574-E579 HydrophobicContact CB-CB 4.04Å; R574-E579 HydrophobicContact CG-CB 4.49Å; R574-E579 WeakPolarHBondContact O-CB 3.21Å; R574-E579 PolarHBondContact O-N 3.17Å; R574-V582 VanDerWaalsContact CZ-CG2 3.49Å |
| 575 | L | 89.7 | Confident | 89.1 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.3 | -38.7 | -178.4 | -73 | 165.7 | 0 | 0 | 0 | 113.1 | D571 N577 T578 P581 L584 I587 M590 | D571-L575 VanDerWaalsContact O-CB 3.3Å; D571-L575 WeakPolarHBondContact O-CB 3.49Å; D571-L575 WeakPolarHBondContact O-CD1 3.11Å; D571-L575 WeakPolarHBondContact O-CG 2.92Å; D571-L575 PolarHBondContact O-N 3.31Å; L575-N577 VanDerWaalsContact C-N 3.29Å; L575-N577 PolarHBondContact O-N 2.98Å; L575-T578 PolarHBondContact O-N 3.3Å; L575-T578 VanDerWaalsContact O-N 3.17Å; L575-P581 HydrophobicContact CD1-CB 4.26Å; L575-P581 HydrophobicContact CD1-CG 4.48Å; L575-P581 HydrophobicContact CD2-CB 4.48Å; L575-P581 HydrophobicContact CD2-CG 4.08Å; L575-P581 HydrophobicContact CG-CB 4.28Å; L575-P581 HydrophobicContact CG-CG 4.41Å; L575-L584 HydrophobicContact CD1-CD1 4.43Å; L575-I587 HydrophobicContact CD1-CD1 3.93Å; L575-I587 HydrophobicContact CD1-CG2 4.19Å; L575-I587 HydrophobicContact CD2-CB 4.32Å; L575-I587 HydrophobicContact CD2-CG2 3.74Å; L575-M590 HydrophobicContact CB-CB 4.3Å; L575-M590 HydrophobicContact CB-CE 3.58Å; L575-M590 HydrophobicContact CB-SD 4.35Å |
| 576 | V | 88.6 | Confident | 88.6 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -36.4 | 172 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | L572 C573 R574 T578 M590 R592 L596 I599 L627 M631 | L572-V576 WeakPolarHBondContact O-CG2 3.49Å; L572-V576 PolarHBondContact O-N 3.37Å; C573-V576 PolarHBondContact O-N 3.38Å; R574-V576 PolarHBondContact O-N 3.11Å; V576-T578 PolarHBondContact O-N 2.92Å; V576-M590 HydrophobicContact CB-CE 4.48Å; V576-M590 HydrophobicContact CG2-CE 3.51Å; V576-R592 HydrophobicContact CG1-CG 4.49Å; V576-L596 HydrophobicContact CG1-CD2 4.45Å; V576-I599 HydrophobicContact CG2-CD1 4.14Å; V576-L627 HydrophobicContact CB-CD2 4.01Å; V576-L627 HydrophobicContact CG1-CD1 4.14Å; V576-L627 HydrophobicContact CG1-CD2 4Å; V576-L627 HydrophobicContact CG1-CG 4.38Å; V576-M631 HydrophobicContact CG1-CE 3.98Å; V576-M631 HydrophobicContact CG1-SD 3.46Å; V576-M631 WeakPolarHBondContact CG1-SD 3.43Å |
| 577 | N | 86.7 | Confident | 88.3 | Confident | 34 Ų | 34 | 39.6 Ų | 39.6 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 6.8 | 175.5 | -160.9 | 23.4 | 0 | 0 | 0 | 113.6 | C573 R574 L575 E579 L627 K630 | C573-N577 VanDerWaalsContact O-CB 3.29Å; C573-N577 WeakPolarHBondContact O-CB 3.18Å; C573-N577 PolarHBondContact O-N 3.49Å; R574-N577 CarbonylContact O-C 3.57Å; R574-N577 VanDerWaalsContact O-C 3.28Å; R574-N577 WeakPolarHBondContact O-CA 3.39Å; R574-N577 WeakPolarHBondContact O-CB 3.44Å; R574-N577 PolarHBondContact O-N 3.14Å; L575-N577 VanDerWaalsContact C-N 3.29Å; L575-N577 PolarHBondContact O-N 2.98Å; N577-E579 VanDerWaalsContact C-N 3.25Å; N577-E579 PolarHBondContact ND2-OE1 3.02Å; N577-E579 PolarHBondContact ND2-OE2 2.97Å; N577-E579 PolarHBondContact O-N 2.98Å; N577-L627 HydrophobicContact CB-CD1 3.89Å; N577-K630 PolarHBondContact ND2-NZ 3.27Å; N577-K630 WeakPolarHBondContact OD1-CE 3.45Å; N577-K630 PolarHBondContact OD1-NZ 2.93Å |
| 578 | T | 85.6 | Confident | 87.4 | Confident | 110 Ų | 110 | 44 Ų | 44 | 68% | 0.675 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 31.6 | -176.4 | 47.4 | 0 | 0 | 0 | 0 | 114.3 | R574 L575 V576 | R574-T578 PolarHBondContact O-N 3.37Å; R574-T578 VanDerWaalsContact O-N 3.09Å; L575-T578 PolarHBondContact O-N 3.3Å; L575-T578 VanDerWaalsContact O-N 3.17Å; V576-T578 PolarHBondContact O-N 2.92Å |
| 579 | E | 85.6 | Confident | 86.4 | Confident | 94 Ų | 94 | 50.3 Ų | 50.3 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | trans | -106.6 | 159.2 | 174.6 | -70.2 | 158.6 | -175.5 | 0 | 0 | 111.1 | R574 N577 | R574-E579 CarbonylContact C-O 3.58Å; R574-E579 HydrophobicContact CB-CB 4.04Å; R574-E579 HydrophobicContact CG-CB 4.49Å; R574-E579 WeakPolarHBondContact O-CB 3.21Å; R574-E579 PolarHBondContact O-N 3.17Å; N577-E579 VanDerWaalsContact C-N 3.25Å; N577-E579 PolarHBondContact ND2-OE1 3.02Å; N577-E579 PolarHBondContact ND2-OE2 2.97Å; N577-E579 PolarHBondContact O-N 2.98Å | ||
| 580 | S | 84.9 | Confident | 86 | Confident | 92 Ų | 92 | 51.1 Ų | 51.1 | 64% | 0.643 | 28% | 0.284 | S | S | * | . | trans | -78 | 140.9 | -175.2 | 47.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 581 | P | 89.8 | Confident | 85.6 | Confident | 17 Ų | 17 | 51 Ų | 51 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | trans | -77.4 | 152.1 | 177 | 32.1 | -34.2 | 0 | 0 | 0 | 112.2 | D571 L575 L584 | D571-P581 HydrophobicContact CB-CB 4.01Å; D571-P581 VanDerWaalsContact CG-CB 3.49Å; D571-P581 WeakPolarHBondContact OD1-CA 3.35Å; D571-P581 WeakPolarHBondContact OD2-CB 3.44Å; L575-P581 HydrophobicContact CD1-CB 4.26Å; L575-P581 HydrophobicContact CD1-CG 4.48Å; L575-P581 HydrophobicContact CD2-CB 4.48Å; L575-P581 HydrophobicContact CD2-CG 4.08Å; L575-P581 HydrophobicContact CG-CB 4.28Å; L575-P581 HydrophobicContact CG-CG 4.41Å; P581-L584 HydrophobicContact CB-CB 4.06Å; P581-L584 HydrophobicContact CG-CB 4.44Å; P581-L584 WeakPolarHBondContact CG-O 3.39Å | ||
| 582 | V | 87.6 | Confident | 85.3 | Confident | 75 Ų | 75 | 55.5 Ų | 55.5 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -93.4 | -38.2 | 179.5 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | D571 R574 | D571-V582 PolarHBondContact OD1-N 2.69Å; D571-V582 PolarHBondContact OD2-N 3.3Å; R574-V582 VanDerWaalsContact CZ-CG2 3.49Å |
| 583 | W | 90.2 | Very high | 85 | Confident | 32 Ų | 32 | 57 Ų | 57 | 12% | 0.121 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -107.6 | -39.6 | -174.7 | -176.8 | 64.3 | 0 | 0 | 0 | 112.7 | L517 A518 L521 L564 L567 L568 D571 L585 | L517-W583 HydrophobicContact CB-CH2 4.47Å; L517-W583 HydrophobicContact CB-CZ2 4.34Å; L517-W583 HydrophobicContact CD2-CH2 4.35Å; L517-W583 HydrophobicContact CG-CH2 4.2Å; A518-W583 HydrophobicContact CB-CD2 4.06Å; A518-W583 HydrophobicContact CB-CE3 4.49Å; A518-W583 HydrophobicContact CB-CH2 4.36Å; A518-W583 HydrophobicContact CB-CZ2 3.91Å; A518-W583 WeakPolarHBondContact CB-O 3.46Å; L521-W583 HydrophobicContact CD1-CH2 3.98Å; L521-W583 HydrophobicContact CD1-CZ3 3.73Å; L564-W583 HydrophobicContact CD2-CZ2 3.81Å; L567-W583 HydrophobicContact CB-CB 4.24Å; L567-W583 HydrophobicContact CB-CG 4.43Å; L567-W583 HydrophobicContact CD1-CG 4.44Å; L568-W583 HydrophobicContact CB-CZ3 4.34Å; L568-W583 HydrophobicContact CD1-CZ3 4.44Å; D571-W583 WeakPolarHBondContact OD2-CA 3.49Å; D571-W583 WeakPolarHBondContact OD2-CB 3.43Å; D571-W583 PolarHBondContact OD2-N 3.06Å; W583-L585 PolarHBondContact O-N 3.42Å |
| 584 | L | 89.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -80.1 | 47.6 | 177.6 | -61.4 | -178.7 | 0 | 0 | 0 | 112.9 | A518 L521 V522 F525 L568 D571 L575 P581 G586 I587 | A518-L584 HydrophobicContact CB-CD2 4.37Å; L521-L584 HydrophobicContact CB-CD2 3.87Å; L521-L584 HydrophobicContact CD1-CD2 3.94Å; V522-L584 HydrophobicContact CG2-CB 4.11Å; V522-L584 HydrophobicContact CG2-CD2 4.31Å; F525-L584 HydrophobicContact CE2-CD1 4.05Å; L568-L584 HydrophobicContact CD1-CD1 3.94Å; D571-L584 HydrophobicContact CB-CD1 4.17Å; D571-L584 HydrophobicContact CB-CG 4.31Å; D571-L584 PolarHBondContact OD2-N 3.23Å; L575-L584 HydrophobicContact CD1-CD1 4.43Å; P581-L584 HydrophobicContact CB-CB 4.06Å; P581-L584 HydrophobicContact CG-CB 4.44Å; P581-L584 WeakPolarHBondContact CG-O 3.39Å; L584-G586 PolarHBondContact O-N 2.88Å; L584-I587 HydrophobicContact CB-CD1 3.76Å; L584-I587 HydrophobicContact CB-CG1 4.42Å; L584-I587 HydrophobicContact CD1-CD1 3.89Å; L584-I587 HydrophobicContact CG-CD1 4.4Å; L584-I587 PolarHBondContact O-N 2.95Å |
| 585 | L | 84.7 | Confident | 84.8 | Confident | 123 Ų | 123 | 53.2 Ų | 53.2 | 64% | 0.644 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 119.2 | -178.1 | -61.1 | 175.6 | 0 | 0 | 0 | 111.3 | W583 | W583-L585 PolarHBondContact O-N 3.42Š|
| 586 | G | 78.6 | Confident | 84.8 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 113.7 | -2.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | L584 | L584-G586 PolarHBondContact O-N 2.88Š|
| 587 | I | 82.8 | Confident | 84.9 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 7% | 0.072 | 30% | 0.3 | C | S | . | . | trans | -79.7 | 133.5 | 159.3 | -58.9 | 174.6 | 0 | 0 | 0 | 108.2 | V522 F525 L575 L584 E589 | V522-I587 HydrophobicContact CB-CG1 4.43Å; V522-I587 HydrophobicContact CG1-CG1 4.17Å; V522-I587 HydrophobicContact CG2-CD1 4.41Å; V522-I587 HydrophobicContact CG2-CG1 4.08Å; F525-I587 HydrophobicContact CB-CD1 3.7Å; F525-I587 HydrophobicContact CB-CG1 3.91Å; F525-I587 HydrophobicContact CD1-CD1 4.24Å; F525-I587 HydrophobicContact CD2-CD1 3.42Å; F525-I587 VanDerWaalsContact CD2-CD1 3.42Å; F525-I587 HydrophobicContact CD2-CG1 4.45Å; F525-I587 HydrophobicContact CE2-CD1 4.05Å; F525-I587 HydrophobicContact CG-CD1 3.54Å; F525-I587 HydrophobicContact CG-CG1 4.31Å; L575-I587 HydrophobicContact CD1-CD1 3.93Å; L575-I587 HydrophobicContact CD1-CG2 4.19Å; L575-I587 HydrophobicContact CD2-CB 4.32Å; L575-I587 HydrophobicContact CD2-CG2 3.74Å; L584-I587 HydrophobicContact CB-CD1 3.76Å; L584-I587 HydrophobicContact CB-CG1 4.42Å; L584-I587 HydrophobicContact CD1-CD1 3.89Å; L584-I587 HydrophobicContact CG-CD1 4.4Å; L584-I587 PolarHBondContact O-N 2.95Å; I587-E589 VanDerWaalsContact CG2-O 3.32Å; I587-E589 WeakPolarHBondContact CG2-O 3.47Å | ||
| 588 | V | 70.3 | Confident | 85.1 | Confident | 135 Ų | 135 | 51.8 Ų | 51.8 | 82% | 0.818 | 29% | 0.291 | S | S | * | . | trans | -109.7 | -37.9 | 176 | -174.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 589 | E | 71.1 | Confident | 85.5 | Confident | 133 Ų | 133 | 46.8 Ų | 46.8 | 62% | 0.621 | 26% | 0.26 | S | S | * | . | trans | -135.6 | 152 | 179.9 | -62 | -174.3 | 167.5 | 0 | 0 | 110.7 | F529 I587 | F529-E589 HydrophobicContact CE1-CB 4.4Å; F529-E589 VanDerWaalsContact CE2-O 3.28Å; F529-E589 WeakPolarHBondContact CE2-O 3.22Å; F529-E589 HydrophobicContact CZ-CB 4.07Å; I587-E589 VanDerWaalsContact CG2-O 3.32Å; I587-E589 WeakPolarHBondContact CG2-O 3.47Å | ||
| 590 | M | 83.1 | Confident | 85.8 | Confident | 19 Ų | 19 | 43.6 Ų | 43.6 | 9% | 0.094 | 25% | 0.245 | C | C | . | . | trans | -145.3 | 137.3 | 168.7 | -173.1 | 179.1 | 67.2 | 0 | 0 | 108.8 | F525 L572 L575 V576 L594 G595 | F525-M590 HydrophobicContact CD1-SD 4.3Å; F525-M590 HydrophobicContact CE1-CG 4.39Å; F525-M590 HydrophobicContact CE1-SD 3.65Å; F525-M590 HydrophobicContact CZ-SD 4.42Å; L572-M590 HydrophobicContact CD2-CE 4.33Å; L572-M590 HydrophobicContact CD2-SD 4.07Å; L575-M590 HydrophobicContact CB-CB 4.3Å; L575-M590 HydrophobicContact CB-CE 3.58Å; L575-M590 HydrophobicContact CB-SD 4.35Å; V576-M590 HydrophobicContact CB-CE 4.48Å; V576-M590 HydrophobicContact CG2-CE 3.51Å; M590-L594 HydrophobicContact CG-CD2 4.38Å; M590-G595 VanDerWaalsContact CE-CA 3.47Å | ||
| 591 | T | 83.4 | Confident | 86.1 | Confident | 54 Ų | 54 | 40.7 Ų | 40.7 | 33% | 0.331 | 22% | 0.222 | S | C | . | . | trans | -70.9 | 133.7 | 176.2 | 57.3 | 0 | 0 | 0 | 0 | 110.5 | F529 T593 L594 G595 | F529-T591 HydrophobicContact CE1-CG2 4.09Å; F529-T591 HydrophobicContact CZ-CG2 4.14Å; T591-T593 PolarHBondContact O-N 3.24Å; T591-T593 VanDerWaalsContact O-N 3.16Å; T591-L594 PolarHBondContact O-N 2.98Å; T591-L594 VanDerWaalsContact OG1-CB 3.22Å; T591-L594 WeakPolarHBondContact OG1-CB 3.4Å; T591-L594 PolarHBondContact OG1-N 3.48Å; T591-G595 PolarHBondContact O-N 3.18Å | ||
| 592 | R | 85.7 | Confident | 86.2 | Confident | 95 Ų | 95 | 39.9 Ų | 39.9 | 36% | 0.358 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -55.5 | -32.7 | 177.8 | -75.1 | 174.7 | 175.3 | 160.1 | 4.1 | 112.3 | V576 L596 M631 I668 | V576-R592 HydrophobicContact CG1-CG 4.49Å; R592-L596 WeakPolarHBondContact O-CB 3.33Å; R592-L596 VanDerWaalsContact O-CG 3.23Å; R592-L596 WeakPolarHBondContact O-CG 3.34Å; R592-L596 PolarHBondContact O-N 3.06Å; R592-M631 HydrophobicContact CB-CE 4.17Å; R592-M631 HydrophobicContact CG-CE 4.18Å; R592-I668 HydrophobicContact CB-CD1 3.78Å; R592-I668 HydrophobicContact CB-CG1 4.29Å |
| 593 | T | 86.3 | Confident | 86.4 | Confident | 33 Ų | 33 | 36.3 Ų | 36.3 | 20% | 0.202 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.6 | -44.7 | 174.9 | 43 | 0 | 0 | 0 | 0 | 113 | T591 D597 Y665 P667 I668 R671 | T591-T593 PolarHBondContact O-N 3.24Å; T591-T593 VanDerWaalsContact O-N 3.16Å; T593-D597 WeakPolarHBondContact O-CB 3.4Å; T593-D597 VanDerWaalsContact O-CG 3.29Å; T593-D597 PolarHBondContact O-N 3.17Å; T593-Y665 HydrophobicContact CG2-CE1 4.39Å; T593-P667 HydrophobicContact CG2-CB 3.85Å; T593-I668 HydrophobicContact CG2-CG1 4.19Å; T593-R671 PolarHBondContact O-NE 3.43Å; T593-R671 VanDerWaalsContact O-NE 3.12Å |
| 594 | L | 86.6 | Confident | 86.3 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.1 | -44.8 | 175.2 | 176.8 | 63.4 | 0 | 0 | 0 | 111.3 | F525 M590 T591 D597 L598 | F525-L594 HydrophobicContact CD1-CD2 4.32Å; F525-L594 HydrophobicContact CE1-CD2 4.24Å; M590-L594 HydrophobicContact CG-CD2 4.38Å; T591-L594 PolarHBondContact O-N 2.98Å; T591-L594 VanDerWaalsContact OG1-CB 3.22Å; T591-L594 WeakPolarHBondContact OG1-CB 3.4Å; T591-L594 PolarHBondContact OG1-N 3.48Å; L594-D597 WeakPolarHBondContact O-CB 3.25Å; L594-D597 PolarHBondContact O-N 3.05Å; L594-L598 HydrophobicContact CD1-CD1 4.2Å; L594-L598 HydrophobicContact CD1-CG 4.27Å; L594-L598 HydrophobicContact CG-CD1 4.03Å; L594-L598 HydrophobicContact CG-CG 4.5Å; L594-L598 VanDerWaalsContact O-CG 3.32Å; L594-L598 WeakPolarHBondContact O-CG 3.36Å; L594-L598 PolarHBondContact O-N 3.08Å |
| 595 | G | 89.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M590 T591 L598 I599 | M590-G595 VanDerWaalsContact CE-CA 3.47Å; T591-G595 PolarHBondContact O-N 3.18Å; G595-L598 PolarHBondContact O-N 3.18Å; G595-I599 VanDerWaalsContact O-CG1 3.32Å; G595-I599 WeakPolarHBondContact O-CG1 3.47Å; G595-I599 PolarHBondContact O-N 2.87Å |
| 596 | L | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.8 | -38.2 | 173.1 | -70.3 | 175.5 | 0 | 0 | 0 | 112.2 | V576 R592 L598 I599 E600 M631 I668 R671 L672 L675 | V576-L596 HydrophobicContact CG1-CD2 4.45Å; R592-L596 WeakPolarHBondContact O-CB 3.33Å; R592-L596 VanDerWaalsContact O-CG 3.23Å; R592-L596 WeakPolarHBondContact O-CG 3.34Å; R592-L596 PolarHBondContact O-N 3.06Å; L596-L598 VanDerWaalsContact C-N 3.28Å; L596-L598 PolarHBondContact O-N 2.99Å; L596-I599 PolarHBondContact O-N 3.18Å; L596-E600 WeakPolarHBondContact O-CB 3.3Å; L596-E600 PolarHBondContact O-N 3.37Å; L596-M631 HydrophobicContact CD1-CE 3.79Å; L596-M631 HydrophobicContact CD1-SD 4.39Å; L596-M631 HydrophobicContact CD2-SD 4.08Å; L596-M631 HydrophobicContact CG-CE 4.34Å; L596-I668 HydrophobicContact CD1-CG1 4.45Å; L596-I668 HydrophobicContact CD1-CG2 4.08Å; L596-R671 HydrophobicContact CB-CB 4.03Å; L596-R671 HydrophobicContact CD1-CB 4.09Å; L596-L672 HydrophobicContact CD1-CD2 4.03Å; L596-L672 HydrophobicContact CD1-CG 4.12Å; L596-L672 HydrophobicContact CD2-CD2 3.93Å; L596-L675 HydrophobicContact CB-CD1 4.34Å; L596-L675 HydrophobicContact CD2-CD1 3.69Å |
| 597 | D | 89.5 | Confident | 86.9 | Confident | 16 Ų | 16 | 38.9 Ų | 38.9 | 9% | 0.086 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62 | -35.4 | 173.1 | -77.9 | -8.1 | 0 | 0 | 0 | 112.1 | R544 T593 L594 L601 R671 | R544-D597 IonicContact CZ-OD2 3.88Å; R544-D597 IonicContact NH1-OD2 2.67Å; R544-D597 IonicContact NH2-OD2 3.2Å; R544-D597 PolarHBondContact NH2-OD2 3.11Å; T593-D597 WeakPolarHBondContact O-CB 3.4Å; T593-D597 VanDerWaalsContact O-CG 3.29Å; T593-D597 PolarHBondContact O-N 3.17Å; L594-D597 WeakPolarHBondContact O-CB 3.25Å; L594-D597 PolarHBondContact O-N 3.05Å; D597-L601 WeakPolarHBondContact O-CB 3.29Å; D597-L601 PolarHBondContact O-N 3.39Å; D597-R671 VanDerWaalsContact CG-NE 3.33Å; D597-R671 WeakPolarHBondContact OD1-CD 3.46Å; D597-R671 IonicContact OD1-CZ 2.73Å; D597-R671 VanDerWaalsContact OD1-CZ 3.32Å; D597-R671 IonicContact OD1-NE 3.5Å; D597-R671 PolarHBondContact OD1-NE 3.28Å; D597-R671 IonicContact OD1-NH2 2.73Å; D597-R671 PolarHBondContact OD1-NH2 3.24Å; D597-R671 IonicContact OD2-CZ 3.94Å; D597-R671 IonicContact OD2-NE 2.95Å; D597-R671 IonicContact OD2-NH2 2.93Å; D597-R671 PolarHBondContact OD2-NH2 3.05Å |
| 598 | L | 91.7 | Very high | 87 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -74.2 | -38.2 | 176.2 | -68.3 | 169.8 | 0 | 0 | 0 | 112 | F525 V543 R544 V547 L572 L594 G595 L596 E600 L601 L602 | F525-L598 HydrophobicContact CE1-CD1 3.84Å; F525-L598 HydrophobicContact CZ-CD1 3.85Å; V543-L598 HydrophobicContact CG1-CD1 3.69Å; V543-L598 HydrophobicContact CG1-CD2 4.03Å; R544-L598 HydrophobicContact CB-CD2 4.37Å; R544-L598 HydrophobicContact CG-CD2 3.74Å; V547-L598 HydrophobicContact CB-CD2 4.34Å; V547-L598 HydrophobicContact CG1-CD2 4.44Å; V547-L598 HydrophobicContact CG2-CD2 4.22Å; L572-L598 HydrophobicContact CD1-CB 4.38Å; L572-L598 HydrophobicContact CD2-CB 4.38Å; L572-L598 HydrophobicContact CD2-CD1 3.86Å; L594-L598 HydrophobicContact CD1-CD1 4.2Å; L594-L598 HydrophobicContact CD1-CG 4.27Å; L594-L598 HydrophobicContact CG-CD1 4.03Å; L594-L598 HydrophobicContact CG-CG 4.5Å; L594-L598 VanDerWaalsContact O-CG 3.32Å; L594-L598 WeakPolarHBondContact O-CG 3.36Å; L594-L598 PolarHBondContact O-N 3.08Å; G595-L598 PolarHBondContact O-N 3.18Å; L596-L598 VanDerWaalsContact C-N 3.28Å; L596-L598 PolarHBondContact O-N 2.99Å; L598-E600 VanDerWaalsContact C-N 3.32Å; L598-L601 HydrophobicContact CD2-CD2 4.27Å; L598-L601 PolarHBondContact O-N 3.02Å; L598-L602 WeakPolarHBondContact O-CB 3.28Å; L598-L602 VanDerWaalsContact O-CG 3.31Å; L598-L602 WeakPolarHBondContact O-CG 3.28Å; L598-L602 PolarHBondContact O-N 2.9Å |
| 599 | I | 93 | Very high | 87.7 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.6 | -40.6 | 171.8 | -71 | 167.6 | 0 | 0 | 0 | 110.3 | V576 G595 L596 L602 L603 M624 L627 L675 | V576-I599 HydrophobicContact CG2-CD1 4.14Å; G595-I599 VanDerWaalsContact O-CG1 3.32Å; G595-I599 WeakPolarHBondContact O-CG1 3.47Å; G595-I599 PolarHBondContact O-N 2.87Å; L596-I599 PolarHBondContact O-N 3.18Å; I599-L602 PolarHBondContact O-N 3.11Å; I599-L603 HydrophobicContact CG2-CD1 4.11Å; I599-L603 WeakPolarHBondContact O-CG 3.44Å; I599-L603 PolarHBondContact O-N 3.06Å; I599-M624 HydrophobicContact CG2-CE 3.76Å; I599-L627 HydrophobicContact CD1-CD2 4.17Å; I599-L675 HydrophobicContact CG2-CD1 4.25Å; I599-L675 HydrophobicContact CG2-CD2 3.81Å |
| 600 | E | 92.1 | Very high | 88.6 | Confident | 27 Ų | 27 | 30 Ų | 30 | 13% | 0.126 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.7 | -45.2 | 175.7 | -162.6 | -170.6 | 116.6 | 0 | 0 | 111.4 | L596 L598 L602 S604 R674 L675 I678 | L596-E600 WeakPolarHBondContact O-CB 3.3Å; L596-E600 PolarHBondContact O-N 3.37Å; L598-E600 VanDerWaalsContact C-N 3.32Å; E600-L602 PolarHBondContact O-N 3.25Å; E600-S604 VanDerWaalsContact O-CB 3.28Å; E600-S604 WeakPolarHBondContact O-CB 3.3Å; E600-S604 PolarHBondContact O-N 3.24Å; E600-S604 PolarHBondContact O-OG 3.23Å; E600-R674 IonicContact OE1-CZ 3.58Å; E600-R674 IonicContact OE1-NE 3.59Å; E600-R674 PolarHBondContact OE1-NE 3.36Å; E600-R674 IonicContact OE1-NH2 3Å; E600-R674 PolarHBondContact OE1-NH2 3.11Å; E600-R674 VanDerWaalsContact OE2-CB 3.32Å; E600-R674 WeakPolarHBondContact OE2-CB 3.24Å; E600-R674 WeakPolarHBondContact OE2-CD 3.44Å; E600-R674 IonicContact OE2-CZ 2.78Å; E600-R674 IonicContact OE2-NE 3.22Å; E600-R674 PolarHBondContact OE2-NE 3.44Å; E600-R674 IonicContact OE2-NH2 3.77Å; E600-L675 HydrophobicContact CB-CD2 3.82Å; E600-L675 HydrophobicContact CB-CG 4.37Å; E600-L675 HydrophobicContact CG-CD2 4.15Å; E600-I678 HydrophobicContact CG-CD1 3.48Å; E600-I678 VanDerWaalsContact CG-CD1 3.48Å |
| 601 | L | 91.5 | Very high | 88.7 | Confident | 31 Ų | 31 | 30.6 Ų | 30.6 | 16% | 0.162 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.4 | -44.7 | 175.4 | -177.1 | 69.2 | 0 | 0 | 0 | 112.1 | R544 D597 L598 S604 Q605 | R544-L601 HydrophobicContact CB-CD2 3.77Å; R544-L601 HydrophobicContact CG-CD2 4.08Å; D597-L601 WeakPolarHBondContact O-CB 3.29Å; D597-L601 PolarHBondContact O-N 3.39Å; L598-L601 HydrophobicContact CD2-CD2 4.27Å; L598-L601 PolarHBondContact O-N 3.02Å; L601-S604 PolarHBondContact O-OG 3.49Å; L601-Q605 HydrophobicContact CD1-CG 4.19Å; L601-Q605 WeakPolarHBondContact O-CB 3.01Å; L601-Q605 WeakPolarHBondContact O-CG 3.15Å; L601-Q605 PolarHBondContact O-N 3.3Å; L601-Q605 VanDerWaalsContact O-N 3.09Å |
| 602 | L | 92.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.6 | -47 | -179.2 | -74.7 | -177.4 | 0 | 0 | 0 | 112.3 | V547 F551 V569 L572 L598 I599 E600 N606 F610 | V547-L602 HydrophobicContact CG1-CD1 4.1Å; V547-L602 HydrophobicContact CG1-CD2 3.52Å; V547-L602 HydrophobicContact CG1-CG 3.85Å; F551-L602 HydrophobicContact CB-CD2 4.38Å; F551-L602 HydrophobicContact CD1-CD2 4.15Å; F551-L602 HydrophobicContact CD2-CD1 4.48Å; F551-L602 HydrophobicContact CD2-CD2 3.23Å; F551-L602 HydrophobicContact CD2-CG 4.47Å; F551-L602 HydrophobicContact CE1-CD2 4.28Å; F551-L602 HydrophobicContact CE2-CD1 3.83Å; F551-L602 HydrophobicContact CE2-CD2 3.4Å; F551-L602 HydrophobicContact CE2-CG 4.22Å; F551-L602 HydrophobicContact CG-CD2 3.63Å; F551-L602 HydrophobicContact CZ-CD1 4.18Å; F551-L602 HydrophobicContact CZ-CD2 3.92Å; V569-L602 HydrophobicContact CG2-CD1 3.92Å; L572-L602 HydrophobicContact CD1-CD1 3.76Å; L598-L602 WeakPolarHBondContact O-CB 3.28Å; L598-L602 VanDerWaalsContact O-CG 3.31Å; L598-L602 WeakPolarHBondContact O-CG 3.28Å; L598-L602 PolarHBondContact O-N 2.9Å; I599-L602 PolarHBondContact O-N 3.11Å; E600-L602 PolarHBondContact O-N 3.25Å; L602-N606 VanDerWaalsContact O-CB 3.29Å; L602-N606 WeakPolarHBondContact O-CB 2.78Å; L602-N606 PolarHBondContact O-N 3.34Å; L602-N606 PolarHBondContact O-ND2 2.64Å; L602-F610 HydrophobicContact CB-CE2 4.43Å |
| 603 | L | 91.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.9 | -38.2 | -179.7 | -68.5 | 176 | 0 | 0 | 0 | 112.7 | I599 F610 L620 M624 L675 I678 L679 Y683 | I599-L603 HydrophobicContact CG2-CD1 4.11Å; I599-L603 WeakPolarHBondContact O-CG 3.44Å; I599-L603 PolarHBondContact O-N 3.06Å; L603-F610 HydrophobicContact CD2-CD1 4.08Å; L603-F610 HydrophobicContact CD2-CD2 4.21Å; L603-F610 HydrophobicContact CD2-CE1 4.2Å; L603-F610 HydrophobicContact CD2-CE2 4.32Å; L603-F610 HydrophobicContact CD2-CG 4.09Å; L603-F610 HydrophobicContact CD2-CZ 4.31Å; L603-L620 HydrophobicContact CD1-CD1 4.49Å; L603-L620 HydrophobicContact CD2-CD1 3.53Å; L603-M624 HydrophobicContact CD1-CE 3.95Å; L603-M624 HydrophobicContact CD2-CE 3.66Å; L603-M624 HydrophobicContact CD2-SD 4.2Å; L603-M624 HydrophobicContact CG-CE 3.73Å; L603-L675 HydrophobicContact CD1-CD2 4.04Å; L603-I678 HydrophobicContact CB-CG2 3.97Å; L603-L679 HydrophobicContact CD1-CD2 3.83Å; L603-Y683 HydrophobicContact CB-CE2 4.19Å; L603-Y683 HydrophobicContact CD2-CE2 4.13Å; L603-Y683 PolarHBondContact O-OH 2.76Å |
| 604 | S | 89.2 | Confident | 88.6 | Confident | 63 Ų | 63 | 37.6 Ų | 37.6 | 44% | 0.441 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71.1 | -40.6 | 179 | 55.9 | 0 | 0 | 0 | 0 | 113 | E600 L601 | E600-S604 VanDerWaalsContact O-CB 3.28Å; E600-S604 WeakPolarHBondContact O-CB 3.3Å; E600-S604 PolarHBondContact O-N 3.24Å; E600-S604 PolarHBondContact O-OG 3.23Å; L601-S604 PolarHBondContact O-OG 3.49Å |
| 605 | Q | 89.7 | Confident | 88.6 | Confident | 91 Ų | 91 | 41.6 Ų | 41.6 | 43% | 0.425 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -82.7 | -16.5 | -177.1 | -67.1 | -171.9 | -16.6 | 0 | 0 | 114.8 | S548 R555 L601 | S548-Q605 PolarHBondContact OG-OE1 2.98Å; R555-Q605 PolarHBondContact NH1-O 2.76Å; R555-Q605 VanDerWaalsContact NH1-O 3.16Å; L601-Q605 HydrophobicContact CD1-CG 4.19Å; L601-Q605 WeakPolarHBondContact O-CB 3.01Å; L601-Q605 WeakPolarHBondContact O-CG 3.15Å; L601-Q605 PolarHBondContact O-N 3.3Å; L601-Q605 VanDerWaalsContact O-N 3.09Å |
| 606 | N | 88.2 | Confident | 88.7 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | trans | -128.2 | 29.5 | -166.6 | -56.7 | -77.8 | 0 | 0 | 0 | 114.9 | F551 L602 C608 L609 F610 | F551-N606 HydrophobicContact CD1-CB 3.97Å; F551-N606 VanDerWaalsContact CD1-CG 3.46Å; F551-N606 HydrophobicContact CE1-CB 4.41Å; L602-N606 VanDerWaalsContact O-CB 3.29Å; L602-N606 WeakPolarHBondContact O-CB 2.78Å; L602-N606 PolarHBondContact O-N 3.34Å; L602-N606 PolarHBondContact O-ND2 2.64Å; N606-C608 VanDerWaalsContact C-N 3.25Å; N606-C608 PolarHBondContact O-N 3.13Å; N606-C608 VanDerWaalsContact O-N 3.1Å; N606-L609 HydrophobicContact CB-CD1 4.35Å; N606-L609 PolarHBondContact O-N 3.3Å; N606-F610 HydrophobicContact CB-CD2 4.05Å; N606-F610 HydrophobicContact CB-CE2 4.15Å; N606-F610 PolarHBondContact O-N 2.86Å | ||
| 607 | Q | 86.6 | Confident | 88.6 | Confident | 90 Ų | 90 | 43.6 Ų | 43.6 | 42% | 0.421 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -43.3 | -48.5 | 179.3 | -170.8 | -177.1 | 13.9 | 0 | 0 | 113.6 | L609 F610 S611 S682 Y683 | Q607-L609 VanDerWaalsContact C-N 3.25Å; Q607-L609 PolarHBondContact O-N 2.95Å; Q607-F610 PolarHBondContact O-N 2.87Å; Q607-S611 VanDerWaalsContact O-CB 3.27Å; Q607-S611 WeakPolarHBondContact O-CB 3.32Å; Q607-S611 PolarHBondContact O-N 2.99Å; Q607-S611 PolarHBondContact O-OG 2.69Å; Q607-S682 PolarHBondContact NE2-O 3.3Å; Q607-Y683 VanDerWaalsContact CA-OH 3.31Å; Q607-Y683 WeakPolarHBondContact CA-OH 3.45Å; Q607-Y683 HydrophobicContact CG-CE1 4.24Å |
| 608 | C | 84 | Confident | 88.6 | Confident | 76 Ų | 76 | 48.9 Ų | 48.9 | 51% | 0.514 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.3 | -16.8 | -177.3 | -168.1 | 0 | 0 | 0 | 0 | 115 | N606 K612 | N606-C608 VanDerWaalsContact C-N 3.25Å; N606-C608 PolarHBondContact O-N 3.13Å; N606-C608 VanDerWaalsContact O-N 3.1Å; C608-K612 WeakPolarHBondContact O-CB 3.47Å; C608-K612 PolarHBondContact SG-NZ 3.05Å |
| 609 | L | 86.7 | Confident | 88.6 | Confident | 18 Ų | 18 | 49.6 Ų | 49.6 | 9% | 0.094 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -82.6 | -60.1 | 170.2 | -71.6 | 175.9 | 0 | 0 | 0 | 109.6 | F551 A554 R555 N606 Q607 S611 K612 R613 | F551-L609 HydrophobicContact CD1-CD1 3.99Å; F551-L609 HydrophobicContact CE1-CD1 4.39Å; A554-L609 HydrophobicContact CB-CD1 4.41Å; R555-L609 HydrophobicContact CG-CD1 3.92Å; R555-L609 HydrophobicContact CG-CG 4.44Å; N606-L609 HydrophobicContact CB-CD1 4.35Å; N606-L609 PolarHBondContact O-N 3.3Å; Q607-L609 VanDerWaalsContact C-N 3.25Å; Q607-L609 PolarHBondContact O-N 2.95Å; L609-S611 PolarHBondContact O-N 3.31Å; L609-S611 VanDerWaalsContact O-N 3.14Å; L609-K612 PolarHBondContact O-N 2.6Å; L609-K612 VanDerWaalsContact O-N 3.13Å; L609-R613 HydrophobicContact CD2-CG 4.19Å; L609-R613 WeakPolarHBondContact O-CB 3.44Å; L609-R613 PolarHBondContact O-N 3.23Å |
| 610 | F | 89.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -19.3 | -176.9 | -74.7 | -84.5 | 0 | 0 | 0 | 114.4 | F551 V569 L602 L603 N606 Q607 F616 I617 L620 M624 Y683 | F551-F610 AromaticContact CE1-CE2 3.63Å; F551-F610 HydrophobicContact CE1-CE2 3.63Å; F551-F610 AromaticContact CE1-CZ 3.96Å; F551-F610 HydrophobicContact CE1-CZ 3.96Å; F551-F610 HydrophobicContact CZ-CE2 4.13Å; F551-F610 HydrophobicContact CZ-CZ 4.02Å; V569-F610 HydrophobicContact CG2-CE1 4.33Å; V569-F610 HydrophobicContact CG2-CZ 3.85Å; L602-F610 HydrophobicContact CB-CE2 4.43Å; L603-F610 HydrophobicContact CD2-CD1 4.08Å; L603-F610 HydrophobicContact CD2-CD2 4.21Å; L603-F610 HydrophobicContact CD2-CE1 4.2Å; L603-F610 HydrophobicContact CD2-CE2 4.32Å; L603-F610 HydrophobicContact CD2-CG 4.09Å; L603-F610 HydrophobicContact CD2-CZ 4.31Å; N606-F610 HydrophobicContact CB-CD2 4.05Å; N606-F610 HydrophobicContact CB-CE2 4.15Å; N606-F610 PolarHBondContact O-N 2.86Å; Q607-F610 PolarHBondContact O-N 2.87Å; F610-F616 HydrophobicContact CD1-CB 3.8Å; F610-F616 HydrophobicContact CD1-CD1 4.18Å; F610-F616 HydrophobicContact CD1-CG 4.47Å; F610-F616 HydrophobicContact CE1-CB 4.29Å; F610-F616 AromaticContact CE1-CD1 3.9Å; F610-F616 HydrophobicContact CE1-CD1 3.9Å; F610-F616 HydrophobicContact CE2-CD1 4.45Å; F610-F616 HydrophobicContact CG-CB 4.18Å; F610-F616 HydrophobicContact CZ-CD1 4.05Å; F610-I617 WeakPolarHBondContact O-CG1 3.27Å; F610-L620 HydrophobicContact CD1-CD1 4.44Å; F610-M624 HydrophobicContact CD1-SD 4.34Å; F610-M624 HydrophobicContact CE1-CE 4.24Å; F610-M624 HydrophobicContact CE1-SD 3.63Å; F610-M624 HydrophobicContact CZ-CE 4.37Å; F610-M624 HydrophobicContact CZ-SD 4.31Å; F610-Y683 HydrophobicContact CB-CD1 4.32Å; F610-Y683 HydrophobicContact CB-CE1 3.37Å |
| 611 | S | 84 | Confident | 88.4 | Confident | 32 Ų | 32 | 50.7 Ų | 50.7 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -8.5 | 176.3 | 77.8 | 0 | 0 | 0 | 0 | 115.4 | Q607 L609 | Q607-S611 VanDerWaalsContact O-CB 3.27Å; Q607-S611 WeakPolarHBondContact O-CB 3.32Å; Q607-S611 PolarHBondContact O-N 2.99Å; Q607-S611 PolarHBondContact O-OG 2.69Å; L609-S611 PolarHBondContact O-N 3.31Å; L609-S611 VanDerWaalsContact O-N 3.14Å |
| 612 | K | 82.9 | Confident | 88.3 | Confident | 147 Ų | 147 | 55 Ų | 55 | 64% | 0.639 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.6 | -20 | -174.4 | -59.6 | -173.6 | -174.6 | 170.4 | 0 | 115.6 | C608 L609 | C608-K612 WeakPolarHBondContact O-CB 3.47Å; C608-K612 PolarHBondContact SG-NZ 3.05Å; L609-K612 PolarHBondContact O-N 2.6Å; L609-K612 VanDerWaalsContact O-N 3.13Å |
| 613 | R | 86.1 | Confident | 88.2 | Confident | 97 Ų | 97 | 56.5 Ų | 56.5 | 37% | 0.366 | 29% | 0.286 | S | S | . | . | trans | -100.8 | 122.1 | -177.9 | -68.4 | -64.8 | -169.4 | 163.9 | 4 | 109.9 | L609 E615 F616 I617 | L609-R613 HydrophobicContact CD2-CG 4.19Å; L609-R613 WeakPolarHBondContact O-CB 3.44Å; L609-R613 PolarHBondContact O-N 3.23Å; R613-E615 WeakPolarHBondContact CB-OE2 3.48Å; R613-E615 PolarHBondContact O-N 3.35Å; R613-F616 HydrophobicContact CB-CB 4.48Å; R613-F616 HydrophobicContact CB-CD2 3.71Å; R613-F616 HydrophobicContact CG-CD2 4.42Å; R613-F616 PolarHBondContact O-N 2.93Å; R613-F616 VanDerWaalsContact O-N 3.14Å; R613-I617 WeakPolarHBondContact O-CG1 3.36Å; R613-I617 PolarHBondContact O-N 3.43Å | ||
| 614 | P | 85 | Confident | 88.3 | Confident | 85 Ų | 85 | 56.6 Ų | 56.6 | 55% | 0.552 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.3 | -30.3 | -171 | 25.2 | -34.1 | 0 | 0 | 0 | 113.1 | I617 F618 | P614-I617 PolarHBondContact O-N 3.33Å; P614-F618 WeakPolarHBondContact O-CB 3.25Å; P614-F618 PolarHBondContact O-N 3.31Å |
| 615 | E | 86.9 | Confident | 88.4 | Confident | 90 Ų | 90 | 53.7 Ų | 53.7 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 178.6 | -47.5 | 78.6 | -174.6 | 0 | 0 | 111.4 | T566 R613 L619 | T566-E615 HydrophobicContact CG2-CB 4.09Å; R613-E615 WeakPolarHBondContact CB-OE2 3.48Å; R613-E615 PolarHBondContact O-N 3.35Å; E615-L619 WeakPolarHBondContact O-CG 3.14Å; E615-L619 PolarHBondContact O-N 2.91Å |
| 616 | F | 90.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -79.1 | -33 | 177.8 | -67.8 | -88.4 | 0 | 0 | 0 | 112.1 | F551 N562 A565 T566 F610 R613 F618 L619 L620 | F551-F616 HydrophobicContact CE1-CD1 4.3Å; F551-F616 AromaticContact CE1-CE1 3.7Å; F551-F616 HydrophobicContact CE1-CE1 3.7Å; F551-F616 HydrophobicContact CE1-CZ 4.48Å; F551-F616 AromaticContact CZ-CE1 3.82Å; F551-F616 HydrophobicContact CZ-CE1 3.82Å; N562-F616 HydrophobicContact CB-CE2 4.08Å; N562-F616 HydrophobicContact CB-CZ 4.43Å; A565-F616 HydrophobicContact CB-CE1 3.99Å; A565-F616 HydrophobicContact CB-CZ 3.83Å; T566-F616 HydrophobicContact CG2-CD1 4.29Å; T566-F616 HydrophobicContact CG2-CD2 4.35Å; T566-F616 HydrophobicContact CG2-CE1 3.94Å; T566-F616 HydrophobicContact CG2-CE2 4.04Å; T566-F616 HydrophobicContact CG2-CG 4.5Å; T566-F616 HydrophobicContact CG2-CZ 3.82Å; F610-F616 HydrophobicContact CD1-CB 3.8Å; F610-F616 HydrophobicContact CD1-CD1 4.18Å; F610-F616 HydrophobicContact CD1-CG 4.47Å; F610-F616 HydrophobicContact CE1-CB 4.29Å; F610-F616 AromaticContact CE1-CD1 3.9Å; F610-F616 HydrophobicContact CE1-CD1 3.9Å; F610-F616 HydrophobicContact CE2-CD1 4.45Å; F610-F616 HydrophobicContact CG-CB 4.18Å; F610-F616 HydrophobicContact CZ-CD1 4.05Å; R613-F616 HydrophobicContact CB-CB 4.48Å; R613-F616 HydrophobicContact CB-CD2 3.71Å; R613-F616 HydrophobicContact CG-CD2 4.42Å; R613-F616 PolarHBondContact O-N 2.93Å; R613-F616 VanDerWaalsContact O-N 3.14Å; F616-F618 VanDerWaalsContact C-N 3.33Å; F616-L619 PolarHBondContact O-N 3.13Å; F616-L620 WeakPolarHBondContact O-CB 3.39Å; F616-L620 PolarHBondContact O-N 2.83Å |
| 617 | I | 89.3 | Confident | 88.6 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 22% | 0.221 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 170.5 | -68.3 | 166.6 | 0 | 0 | 0 | 110.4 | F610 R613 P614 L620 K621 V686 | F610-I617 WeakPolarHBondContact O-CG1 3.27Å; R613-I617 WeakPolarHBondContact O-CG1 3.36Å; R613-I617 PolarHBondContact O-N 3.43Å; P614-I617 PolarHBondContact O-N 3.33Å; I617-L620 WeakPolarHBondContact O-CB 3.42Å; I617-L620 PolarHBondContact O-N 2.87Å; I617-K621 PolarHBondContact O-N 3.48Å; I617-K621 VanDerWaalsContact O-N 3.11Å; I617-V686 HydrophobicContact CB-CG1 4.48Å; I617-V686 HydrophobicContact CD1-CG1 4.47Å; I617-V686 HydrophobicContact CG1-CG1 4.2Å; I617-V686 HydrophobicContact CG2-CG1 3.58Å |
| 618 | F | 90.6 | Very high | 88.8 | Confident | 127 Ų | 127 | 48.2 Ų | 48.2 | 56% | 0.557 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.4 | -50 | 176.5 | -179.2 | -93.5 | 0 | 0 | 0 | 111.7 | P614 F616 L620 K621 E622 | P614-F618 WeakPolarHBondContact O-CB 3.25Å; P614-F618 PolarHBondContact O-N 3.31Å; F616-F618 VanDerWaalsContact C-N 3.33Å; F618-L620 VanDerWaalsContact C-N 3.28Å; F618-L620 PolarHBondContact O-N 3.01Å; F618-K621 PolarHBondContact O-N 3.23Å; F618-E622 HydrophobicContact CD1-CG 4.48Å; F618-E622 HydrophobicContact CD2-CG 3.95Å; F618-E622 HydrophobicContact CE1-CB 4.28Å; F618-E622 HydrophobicContact CE1-CG 4.22Å; F618-E622 HydrophobicContact CE2-CG 3.66Å; F618-E622 HydrophobicContact CG-CG 4.35Å; F618-E622 HydrophobicContact CZ-CB 4.27Å; F618-E622 HydrophobicContact CZ-CG 3.8Å; F618-E622 WeakPolarHBondContact O-CB 3.45Å; F618-E622 PolarHBondContact O-N 2.86Å |
| 619 | L | 90.4 | Very high | 88.9 | Confident | 14 Ų | 14 | 47.1 Ų | 47.1 | 7% | 0.073 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.3 | -36.5 | 175.6 | -73.1 | 170.6 | 0 | 0 | 0 | 113 | T566 V569 E570 E615 F616 S623 M624 | T566-L619 HydrophobicContact CG2-CD1 3.77Å; V569-L619 HydrophobicContact CB-CD1 4.15Å; V569-L619 HydrophobicContact CG1-CB 4.18Å; V569-L619 HydrophobicContact CG1-CD1 4.08Å; E570-L619 HydrophobicContact CB-CD2 4.35Å; E615-L619 WeakPolarHBondContact O-CG 3.14Å; E615-L619 PolarHBondContact O-N 2.91Å; F616-L619 PolarHBondContact O-N 3.13Å; L619-S623 WeakPolarHBondContact O-CA 3.29Å; L619-S623 WeakPolarHBondContact O-CB 3.33Å; L619-S623 PolarHBondContact O-N 3.37Å; L619-M624 WeakPolarHBondContact O-CG 3.41Å; L619-M624 PolarHBondContact O-N 2.96Å |
| 620 | L | 90.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -60.5 | -46.9 | 177 | -167.3 | 63.8 | 0 | 0 | 0 | 110.9 | L603 F610 F616 I617 F618 M624 C625 L679 Y683 L687 | L603-L620 HydrophobicContact CD1-CD1 4.49Å; L603-L620 HydrophobicContact CD2-CD1 3.53Å; F610-L620 HydrophobicContact CD1-CD1 4.44Å; F616-L620 WeakPolarHBondContact O-CB 3.39Å; F616-L620 PolarHBondContact O-N 2.83Å; I617-L620 WeakPolarHBondContact O-CB 3.42Å; I617-L620 PolarHBondContact O-N 2.87Å; F618-L620 VanDerWaalsContact C-N 3.28Å; F618-L620 PolarHBondContact O-N 3.01Å; L620-M624 HydrophobicContact CD1-CB 4.28Å; L620-M624 HydrophobicContact CD1-SD 3.88Å; L620-M624 PolarHBondContact O-N 3.44Å; L620-C625 PolarHBondContact O-N 3.05Å; L620-C625 PolarHBondContact O-SG 3.47Å; L620-C625 VanDerWaalsContact O-SG 3.33Å; L620-L679 HydrophobicContact CD1-CD2 3.93Å; L620-Y683 HydrophobicContact CD2-CD1 3.88Å; L620-Y683 HydrophobicContact CD2-CE1 4.4Å; L620-Y683 HydrophobicContact CD2-CG 4.07Å; L620-L687 HydrophobicContact CD2-CD1 3.78Å; L620-L687 HydrophobicContact CD2-CD2 3.99Å; L620-L687 HydrophobicContact CD2-CG 4Å; L620-L687 HydrophobicContact CG-CD1 3.96Å; L620-L687 HydrophobicContact CG-CD2 4.05Å; L620-L687 HydrophobicContact CG-CG 4.41Å |
| 621 | K | 89.8 | Confident | 88.7 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 24% | 0.235 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -77 | -44.2 | -178.9 | -68 | -167.5 | 169 | -94.4 | 0 | 114.7 | I617 F618 P626 V686 L687 E690 | I617-K621 PolarHBondContact O-N 3.48Å; I617-K621 VanDerWaalsContact O-N 3.11Å; F618-K621 PolarHBondContact O-N 3.23Å; K621-P626 WeakPolarHBondContact O-CD 3.37Å; K621-P626 WeakPolarHBondContact O-CG 3.45Å; K621-V686 WeakPolarHBondContact CE-O 3.38Å; K621-V686 PolarHBondContact NZ-O 3.47Å; K621-L687 HydrophobicContact CG-CD2 3.67Å; K621-E690 WeakPolarHBondContact CD-OE1 3.49Å; K621-E690 VanDerWaalsContact CG-OE1 3.25Å; K621-E690 WeakPolarHBondContact CG-OE1 3.3Å; K621-E690 VanDerWaalsContact NZ-CD 3.34Å; K621-E690 IonicContact NZ-OE1 3.85Å; K621-E690 PolarHBondContact NZ-OE1 2.84Å; K621-E690 IonicContact NZ-OE2 3.79Å; K621-E690 PolarHBondContact NZ-OE2 3.16Å; K621-E690 VanDerWaalsContact NZ-OE2 3.1Å |
| 622 | E | 90.1 | Very high | 88.7 | Confident | 123 Ų | 123 | 50.3 Ų | 50.3 | 58% | 0.575 | 24% | 0.243 | S | C | * | . | I | π-helix | trans | -93.8 | -14.9 | -170.8 | -61.4 | -59.4 | 141.9 | 0 | 0 | 113.6 | F618 | F618-E622 HydrophobicContact CD1-CG 4.48Å; F618-E622 HydrophobicContact CD2-CG 3.95Å; F618-E622 HydrophobicContact CE1-CB 4.28Å; F618-E622 HydrophobicContact CE1-CG 4.22Å; F618-E622 HydrophobicContact CE2-CG 3.66Å; F618-E622 HydrophobicContact CG-CG 4.35Å; F618-E622 HydrophobicContact CZ-CB 4.27Å; F618-E622 HydrophobicContact CZ-CG 3.8Å; F618-E622 WeakPolarHBondContact O-CB 3.45Å; F618-E622 PolarHBondContact O-N 2.86Å |
| 623 | S | 89.7 | Confident | 88.5 | Confident | 32 Ų | 32 | 46 Ų | 46 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -125.6 | -50.3 | -178.6 | -53.4 | 0 | 0 | 0 | 0 | 113.3 | L619 L627 | L619-S623 WeakPolarHBondContact O-CA 3.29Å; L619-S623 WeakPolarHBondContact O-CB 3.33Å; L619-S623 PolarHBondContact O-N 3.37Å; S623-L627 WeakPolarHBondContact O-CB 3.46Å; S623-L627 PolarHBondContact O-N 2.78Å |
| 624 | M | 93.3 | Very high | 87.8 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -78 | -49.7 | -170.7 | -56.6 | 175 | 83.5 | 0 | 0 | 112.5 | V569 I599 L603 F610 L619 L620 M628 | V569-M624 HydrophobicContact CG1-CE 4.32Å; V569-M624 HydrophobicContact CG1-CG 4.13Å; V569-M624 HydrophobicContact CG1-SD 3.72Å; I599-M624 HydrophobicContact CG2-CE 3.76Å; L603-M624 HydrophobicContact CD1-CE 3.95Å; L603-M624 HydrophobicContact CD2-CE 3.66Å; L603-M624 HydrophobicContact CD2-SD 4.2Å; L603-M624 HydrophobicContact CG-CE 3.73Å; F610-M624 HydrophobicContact CD1-SD 4.34Å; F610-M624 HydrophobicContact CE1-CE 4.24Å; F610-M624 HydrophobicContact CE1-SD 3.63Å; F610-M624 HydrophobicContact CZ-CE 4.37Å; F610-M624 HydrophobicContact CZ-SD 4.31Å; L619-M624 WeakPolarHBondContact O-CG 3.41Å; L619-M624 PolarHBondContact O-N 2.96Å; L620-M624 HydrophobicContact CD1-CB 4.28Å; L620-M624 HydrophobicContact CD1-SD 3.88Å; L620-M624 PolarHBondContact O-N 3.44Å; M624-M628 WeakPolarHBondContact O-CG 3.22Å; M624-M628 PolarHBondContact O-N 3.3Å; M624-M628 VanDerWaalsContact O-N 3.1Å |
| 625 | C | 91.7 | Very high | 87.1 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 177.3 | -67.4 | 0 | 0 | 0 | 0 | 113.7 | L620 L627 M628 I629 E690 F694 | L620-C625 PolarHBondContact O-N 3.05Å; L620-C625 PolarHBondContact O-SG 3.47Å; L620-C625 VanDerWaalsContact O-SG 3.33Å; C625-L627 VanDerWaalsContact C-N 3.33Å; C625-L627 PolarHBondContact O-N 3.36Å; C625-M628 PolarHBondContact O-N 3.49Å; C625-I629 WeakPolarHBondContact O-CG1 3.37Å; C625-I629 PolarHBondContact O-N 3.33Å; C625-E690 HydrophobicContact CB-CB 4.46Å; C625-E690 HydrophobicContact CB-CG 4.2Å; C625-F694 HydrophobicContact CB-CZ 4.39Å |
| 626 | P | 90.7 | Very high | 86 | Confident | 58 Ų | 58 | 40 Ų | 40 | 38% | 0.377 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.6 | -37 | 178.4 | -24.5 | 36.8 | 0 | 0 | 0 | 112.3 | K621 I629 K630 | K621-P626 WeakPolarHBondContact O-CD 3.37Å; K621-P626 WeakPolarHBondContact O-CG 3.45Å; P626-I629 PolarHBondContact O-N 3.15Å; P626-K630 VanDerWaalsContact O-CB 3.25Å; P626-K630 WeakPolarHBondContact O-CB 3.49Å; P626-K630 PolarHBondContact O-N 3.37Å |
| 627 | L | 90.9 | Very high | 84.6 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.5 | -48.8 | 171.8 | 175.3 | 60.9 | 0 | 0 | 0 | 111.5 | C573 V576 N577 I599 S623 C625 I629 K630 M631 | C573-L627 HydrophobicContact CB-CD2 4.03Å; V576-L627 HydrophobicContact CB-CD2 4.01Å; V576-L627 HydrophobicContact CG1-CD1 4.14Å; V576-L627 HydrophobicContact CG1-CD2 4Å; V576-L627 HydrophobicContact CG1-CG 4.38Å; N577-L627 HydrophobicContact CB-CD1 3.89Å; I599-L627 HydrophobicContact CD1-CD2 4.17Å; S623-L627 WeakPolarHBondContact O-CB 3.46Å; S623-L627 PolarHBondContact O-N 2.78Å; C625-L627 VanDerWaalsContact C-N 3.33Å; C625-L627 PolarHBondContact O-N 3.36Å; L627-I629 PolarHBondContact O-N 2.98Å; L627-K630 PolarHBondContact O-N 3.32Å; L627-M631 HydrophobicContact CD1-CG 4.2Å; L627-M631 HydrophobicContact CD1-SD 4.03Å; L627-M631 HydrophobicContact CG-SD 4.26Å; L627-M631 VanDerWaalsContact O-CG 3.31Å; L627-M631 WeakPolarHBondContact O-CG 3.37Å; L627-M631 PolarHBondContact O-N 3.02Å |
| 628 | M | 90.4 | Very high | 82.8 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -46.2 | 177 | -74.6 | 174.1 | 53.4 | 0 | 0 | 112.1 | M624 C625 K630 M631 F632 L672 L675 V676 L679 F694 | M624-M628 WeakPolarHBondContact O-CG 3.22Å; M624-M628 PolarHBondContact O-N 3.3Å; M624-M628 VanDerWaalsContact O-N 3.1Å; C625-M628 PolarHBondContact O-N 3.49Å; M628-K630 PolarHBondContact O-N 2.89Å; M628-M631 PolarHBondContact O-N 3.32Å; M628-F632 VanDerWaalsContact O-CD2 3.3Å; M628-F632 WeakPolarHBondContact O-CD2 3.33Å; M628-F632 PolarHBondContact O-N 2.99Å; M628-L672 HydrophobicContact CB-CD2 4.45Å; M628-L672 HydrophobicContact CG-CD2 4.23Å; M628-L675 HydrophobicContact CE-CB 3.49Å; M628-L675 VanDerWaalsContact CE-CB 3.49Å; M628-L675 HydrophobicContact SD-CB 3.85Å; M628-L675 HydrophobicContact SD-CD1 4.28Å; M628-V676 HydrophobicContact CE-CG2 3.71Å; M628-L679 HydrophobicContact CE-CD1 3.61Å; M628-L679 HydrophobicContact CE-CG 4.33Å; M628-L679 HydrophobicContact SD-CD1 3.7Å; M628-L679 HydrophobicContact SD-CG 4.47Å; M628-F694 HydrophobicContact CB-CE1 4.28Å; M628-F694 HydrophobicContact CB-CZ 4.21Å; M628-F694 HydrophobicContact CE-CE1 4.21Å; M628-F694 HydrophobicContact CE-CZ 4.02Å |
| 629 | I | 87.2 | Confident | 80.8 | Confident | 52 Ų | 52 | 45.7 Ų | 45.7 | 27% | 0.267 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.1 | -44.1 | 178.1 | -66.6 | 164.7 | 0 | 0 | 0 | 110.7 | C625 P626 L627 M631 F632 A633 I693 F694 | C625-I629 WeakPolarHBondContact O-CG1 3.37Å; C625-I629 PolarHBondContact O-N 3.33Å; P626-I629 PolarHBondContact O-N 3.15Å; L627-I629 PolarHBondContact O-N 2.98Å; I629-M631 PolarHBondContact O-N 2.84Å; I629-F632 PolarHBondContact O-N 3.25Å; I629-A633 WeakPolarHBondContact O-CB 3.46Å; I629-A633 PolarHBondContact O-N 2.88Å; I629-I693 HydrophobicContact CD1-CD1 4.43Å; I629-I693 HydrophobicContact CD1-CG2 4.09Å; I629-I693 HydrophobicContact CG1-CG2 4.35Å; I629-F694 HydrophobicContact CD1-CE1 4.42Å; I629-F694 HydrophobicContact CD1-CZ 4.29Å; I629-F694 HydrophobicContact CG1-CD1 4.49Å; I629-F694 HydrophobicContact CG1-CE1 3.62Å; I629-F694 HydrophobicContact CG1-CZ 3.88Å |
| 630 | K | 86.8 | Confident | 78.4 | Confident | 104 Ų | 104 | 49.7 Ų | 49.7 | 45% | 0.452 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59 | -43.8 | 174.4 | -174.4 | -178.7 | -176.3 | -177.3 | 0 | 111.6 | N577 P626 L627 M628 A633 L634 | N577-K630 PolarHBondContact ND2-NZ 3.27Å; N577-K630 WeakPolarHBondContact OD1-CE 3.45Å; N577-K630 PolarHBondContact OD1-NZ 2.93Å; P626-K630 VanDerWaalsContact O-CB 3.25Å; P626-K630 WeakPolarHBondContact O-CB 3.49Å; P626-K630 PolarHBondContact O-N 3.37Å; L627-K630 PolarHBondContact O-N 3.32Å; M628-K630 PolarHBondContact O-N 2.89Å; K630-A633 PolarHBondContact O-N 3.45Å; K630-L634 WeakPolarHBondContact O-CG 3.45Å; K630-L634 PolarHBondContact O-N 3.42Å |
| 631 | M | 85.7 | Confident | 76.1 | Confident | 10 Ų | 10 | 53.4 Ų | 53.4 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.8 | -32.6 | 178.7 | -67.7 | -175.6 | 76.9 | 0 | 0 | 113.6 | V576 R592 L596 L627 M628 I629 N635 I668 L672 | V576-M631 HydrophobicContact CG1-CE 3.98Å; V576-M631 HydrophobicContact CG1-SD 3.46Å; V576-M631 WeakPolarHBondContact CG1-SD 3.43Å; R592-M631 HydrophobicContact CB-CE 4.17Å; R592-M631 HydrophobicContact CG-CE 4.18Å; L596-M631 HydrophobicContact CD1-CE 3.79Å; L596-M631 HydrophobicContact CD1-SD 4.39Å; L596-M631 HydrophobicContact CD2-SD 4.08Å; L596-M631 HydrophobicContact CG-CE 4.34Å; L627-M631 HydrophobicContact CD1-CG 4.2Å; L627-M631 HydrophobicContact CD1-SD 4.03Å; L627-M631 HydrophobicContact CG-SD 4.26Å; L627-M631 VanDerWaalsContact O-CG 3.31Å; L627-M631 WeakPolarHBondContact O-CG 3.37Å; L627-M631 PolarHBondContact O-N 3.02Å; M628-M631 PolarHBondContact O-N 3.32Å; I629-M631 PolarHBondContact O-N 2.84Å; M631-N635 PolarHBondContact O-N 3.09Å; M631-N635 PolarHBondContact O-ND2 3.49Å; M631-I668 HydrophobicContact CE-CG2 3.96Å; M631-L672 HydrophobicContact CB-CD1 3.81Å; M631-L672 HydrophobicContact CB-CD2 3.99Å; M631-L672 HydrophobicContact SD-CD2 4.43Å |
| 632 | F | 84.1 | Confident | 73.6 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.4 | -45 | 168.4 | -86.8 | -68.4 | 0 | 0 | 0 | 111.6 | M628 I629 L634 N635 M636 L672 M673 V676 F694 F701 | M628-F632 VanDerWaalsContact O-CD2 3.3Å; M628-F632 WeakPolarHBondContact O-CD2 3.33Å; M628-F632 PolarHBondContact O-N 2.99Å; I629-F632 PolarHBondContact O-N 3.25Å; F632-L634 PolarHBondContact O-N 3.25Å; F632-N635 CarbonylContact O-C 3.58Å; F632-N635 PolarHBondContact O-N 3.5Å; F632-M636 WeakPolarHBondContact O-CB 3.2Å; F632-M636 VanDerWaalsContact O-CG 3.25Å; F632-M636 WeakPolarHBondContact O-CG 3.1Å; F632-M636 PolarHBondContact O-N 3.41Å; F632-L672 HydrophobicContact CD1-CB 4.45Å; F632-L672 HydrophobicContact CD1-CD1 4.39Å; F632-L672 HydrophobicContact CD2-CB 4.31Å; F632-L672 HydrophobicContact CE1-CB 3.88Å; F632-L672 HydrophobicContact CE2-CB 3.7Å; F632-L672 HydrophobicContact CG-CD1 4.37Å; F632-L672 HydrophobicContact CZ-CB 3.48Å; F632-L672 VanDerWaalsContact CZ-CB 3.48Å; F632-M673 HydrophobicContact CE1-CE 4.23Å; F632-M673 HydrophobicContact CE1-CG 4.41Å; F632-M673 HydrophobicContact CE1-SD 3.93Å; F632-M673 HydrophobicContact CZ-CG 4.49Å; F632-M673 HydrophobicContact CZ-SD 4Å; F632-V676 HydrophobicContact CE2-CG2 3.42Å; F632-V676 VanDerWaalsContact CE2-CG2 3.42Å; F632-V676 HydrophobicContact CZ-CG2 3.7Å; F632-F694 HydrophobicContact CD2-CE1 4.46Å; F632-F694 HydrophobicContact CE2-CE1 4.44Å; F632-F701 AromaticContact CD1-CE2 3.73Å; F632-F701 HydrophobicContact CD1-CE2 3.73Å; F632-F701 AromaticContact CD1-CZ 3.87Å; F632-F701 HydrophobicContact CD1-CZ 3.87Å; F632-F701 AromaticContact CE1-CE2 3.85Å; F632-F701 HydrophobicContact CE1-CE2 3.85Å; F632-F701 HydrophobicContact CE1-CZ 4.22Å |
| 633 | A | 78.7 | Confident | 71.4 | Confident | 55 Ų | 55 | 61.1 Ų | 61.1 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60 | -29.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I629 K630 | I629-A633 WeakPolarHBondContact O-CB 3.46Å; I629-A633 PolarHBondContact O-N 2.88Å; K630-A633 PolarHBondContact O-N 3.45Å |
| 634 | L | 71.7 | Confident | 69.1 | Low | 94 Ų | 94 | 67.6 Ų | 67.6 | 49% | 0.492 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.6 | -43.9 | 170.7 | -67.1 | 170.7 | 0 | 0 | 0 | 112.2 | K630 F632 M636 | K630-L634 WeakPolarHBondContact O-CG 3.45Å; K630-L634 PolarHBondContact O-N 3.42Å; F632-L634 PolarHBondContact O-N 3.25Å; L634-M636 VanDerWaalsContact C-N 3.32Å; L634-M636 PolarHBondContact O-N 3.36Å |
| 635 | N | 68.4 | Low | 66.3 | Low | 17 Ų | 17 | 74.5 Ų | 74.5 | 9% | 0.091 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -80.6 | -6.8 | -179.9 | -70.9 | -82.9 | 0 | 0 | 0 | 114.5 | M631 F632 P664 Y665 Q710 | M631-N635 PolarHBondContact O-N 3.09Å; M631-N635 PolarHBondContact O-ND2 3.49Å; F632-N635 CarbonylContact O-C 3.58Å; F632-N635 PolarHBondContact O-N 3.5Å; N635-P664 HydrophobicContact CB-CB 4.26Å; N635-P664 WeakPolarHBondContact OD1-CA 3.22Å; N635-Y665 PolarHBondContact OD1-N 2.92Å; N635-Q710 PolarHBondContact O-NE2 3.2Å |
| 636 | M | 65.8 | Low | 63.5 | Low | 35 Ų | 35 | 83.1 Ų | 83.1 | 17% | 0.172 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -15.2 | 177.8 | -84 | -75.9 | -93.1 | 0 | 0 | 114 | F632 L634 S638 L697 K700 F701 | F632-M636 WeakPolarHBondContact O-CB 3.2Å; F632-M636 VanDerWaalsContact O-CG 3.25Å; F632-M636 WeakPolarHBondContact O-CG 3.1Å; F632-M636 PolarHBondContact O-N 3.41Å; L634-M636 VanDerWaalsContact C-N 3.32Å; L634-M636 PolarHBondContact O-N 3.36Å; M636-S638 VanDerWaalsContact C-N 3.33Å; M636-S638 PolarHBondContact O-N 2.91Å; M636-L697 HydrophobicContact CE-CD2 3.96Å; M636-K700 HydrophobicContact CE-CB 4.19Å; M636-K700 HydrophobicContact CE-CD 3.79Å; M636-K700 HydrophobicContact CE-CG 3.87Å; M636-F701 HydrophobicContact CG-CE1 4.25Å; M636-F701 HydrophobicContact CG-CE2 4.48Å; M636-F701 HydrophobicContact CG-CZ 3.83Å; M636-F701 HydrophobicContact SD-CD1 3.88Å; M636-F701 HydrophobicContact SD-CD2 4.31Å; M636-F701 HydrophobicContact SD-CE1 3.35Å; M636-F701 WeakPolarHBondContact SD-CE1 3.41Å; M636-F701 HydrophobicContact SD-CE2 3.84Å; M636-F701 HydrophobicContact SD-CG 4.33Å; M636-F701 HydrophobicContact SD-CZ 3.33Å; M636-F701 WeakPolarHBondContact SD-CZ 3.49Å |
| 637 | K | 60.5 | Low | 60.8 | Low | 164 Ų | 164 | 85.8 Ų | 85.8 | 71% | 0.713 | 46% | 0.461 | S | S | * | . | trans | -84.6 | 69.6 | -177.5 | -68 | -176.1 | 179 | -179.1 | 0 | 112.1 | ||||
| 638 | S | 52 | Low | 57.8 | Low | 36 Ų | 36 | 89.3 Ų | 89.3 | 25% | 0.252 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -68 | 140.9 | 165.1 | -157 | 0 | 0 | 0 | 0 | 109.9 | M636 | M636-S638 VanDerWaalsContact C-N 3.33Å; M636-S638 PolarHBondContact O-N 2.91Å |
| 639 | P | 47.6 | Very low | 55 | Low | 90 Ų | 90 | 92.2 Ų | 92.2 | 58% | 0.584 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 155.4 | 177.5 | 28.6 | -34.5 | 0 | 0 | 0 | 112.5 | ||
| 640 | S | 40.6 | Very low | 52.6 | Low | 98 Ų | 98 | 97.8 Ų | 97.8 | 69% | 0.685 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 148.9 | -176.1 | -51.1 | 0 | 0 | 0 | 0 | 114.2 | E642 | S640-E642 PolarHBondContact O-N 2.94Š|
| 641 | A | 41.9 | Very low | 49.8 | Very low | 79 Ų | 79 | 101 Ų | 101 | 65% | 0.653 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -69.3 | 13.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | L643 | A641-L643 VanDerWaalsContact C-N 3.29Å; A641-L643 PolarHBondContact O-N 2.97Å |
| 642 | E | 39 | Very low | 47 | Very low | 173 Ų | 173 | 103.9 Ų | 103.9 | 81% | 0.808 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -74.4 | -13.9 | -171 | -63.5 | -178.2 | 124.8 | 0 | 0 | 114.3 | S640 | S640-E642 PolarHBondContact O-N 2.94Š|
| 643 | L | 42.5 | Very low | 44.4 | Very low | 165 Ų | 165 | 107.6 Ų | 107.6 | 86% | 0.864 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -88.4 | -0.3 | -176 | -103 | 147.4 | 0 | 0 | 0 | 115.5 | A641 L645 | A641-L643 VanDerWaalsContact C-N 3.29Å; A641-L643 PolarHBondContact O-N 2.97Å; L643-L645 VanDerWaalsContact C-N 3.33Å; L643-L645 PolarHBondContact O-N 3.48Å |
| 644 | R | 41.5 | Very low | 42 | Very low | 168 Ų | 168 | 113 Ų | 113 | 63% | 0.634 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -81.6 | 3.2 | -179.3 | -85.1 | -176.9 | 171.1 | 158.5 | -2.3 | 115.2 | S704 | R644-S704 PolarHBondContact NH1-O 3.33Š|
| 645 | L | 35.7 | Very low | 40 | Very low | 147 Ų | 147 | 113 Ų | 113 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -94.7 | -16.4 | -172.7 | -91 | 165.8 | 0 | 0 | 0 | 116.8 | L643 | L643-L645 VanDerWaalsContact C-N 3.33Å; L643-L645 PolarHBondContact O-N 3.48Å |
| 646 | H | 31.8 | Very low | 38.5 | Very low | 183 Ų | 183 | 120.5 Ų | 120.5 | 85% | 0.847 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -138.4 | 81.1 | -175.6 | -74.9 | -21.9 | 0 | 0 | 0 | 114.2 | ||
| 647 | S | 33.1 | Very low | 36.8 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | -162.7 | 97.1 | 140.7 | -168.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 648 | G | 29.7 | Very low | 35.4 | Very low | 84 Ų | 84 | 125.6 Ų | 125.6 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | trans | -111.4 | 124.2 | 145.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 649 | G | 29.7 | Very low | 34.6 | Very low | 65 Ų | 65 | 128.8 Ų | 128.8 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 134.5 | 131.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 650 | I | 36.8 | Very low | 34.3 | Very low | 168 Ų | 168 | 128.6 Ų | 128.6 | 86% | 0.862 | 81% | 0.807 | S | S | * | * | trans | -78.8 | 122.5 | 176.3 | -61.4 | 162.1 | 0 | 0 | 0 | 109 | ||||
| 651 | L | 29.3 | Very low | 34.5 | Very low | 172 Ų | 172 | 128.1 Ų | 128.1 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | 174.9 | 151.7 | 144.8 | -99.4 | 162 | 0 | 0 | 0 | 113.5 | ||||
| 652 | G | 27.4 | Very low | 35 | Very low | 70 Ų | 70 | 132 Ų | 132 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | 70.2 | 67.3 | 142.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | N654 | G652-N654 PolarHBondContact O-N 3.05Š| ||
| 653 | G | 27.8 | Very low | 36.1 | Very low | 83 Ų | 83 | 132.3 Ų | 132.3 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -79 | 93.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 654 | N | 28.5 | Very low | 37.3 | Very low | 167 Ų | 167 | 125.5 Ų | 125.5 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -161.3 | 49.4 | 167.7 | -130 | 6 | 0 | 0 | 0 | 114.4 | G652 | G652-N654 PolarHBondContact O-N 3.05Š| ||
| 655 | A | 30.8 | Very low | 39.2 | Very low | 95 Ų | 95 | 123.1 Ų | 123.1 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -152.3 | 33.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 656 | L | 35.5 | Very low | 41.6 | Very low | 174 Ų | 174 | 116.3 Ų | 116.3 | 91% | 0.911 | 73% | 0.725 | S | S | * | * | trans | -141.6 | 77.8 | 175.5 | -77.5 | 179.3 | 0 | 0 | 0 | 112.3 | ||||
| 657 | A | 30.8 | Very low | 44.1 | Very low | 106 Ų | 106 | 107.9 Ų | 107.9 | 88% | 0.876 | 69% | 0.686 | S | S | * | * | trans | -139.7 | 21.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 658 | E | 31.1 | Very low | 46.7 | Very low | 201 Ų | 201 | 103.2 Ų | 103.2 | 94% | 0.939 | 65% | 0.652 | S | S | * | * | trans | -143.6 | 55 | -173.9 | -136.9 | 164.7 | -121.8 | 0 | 0 | 112.7 | ||||
| 659 | S | 36 | Very low | 49.5 | Very low | 102 Ų | 102 | 99.2 Ų | 99.2 | 71% | 0.713 | 61% | 0.611 | S | S | * | * | trans | -153.8 | 124 | 168.4 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | V661 | S659-V661 PolarHBondContact O-N 3.42Š| ||
| 660 | G | 39.9 | Very low | 52.3 | Low | 87 Ų | 87 | 96.1 Ų | 96.1 | 90% | 0.897 | 58% | 0.579 | S | S | * | * | trans | -78.6 | 37.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 661 | V | 46.3 | Very low | 54.9 | Low | 88 Ų | 88 | 89 Ų | 89 | 53% | 0.533 | 54% | 0.541 | S | S | . | . | trans | -94 | 109.6 | 177.7 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | S659 K663 | S659-V661 PolarHBondContact O-N 3.42Å; V661-K663 PolarHBondContact O-N 2.8Å; V661-K663 VanDerWaalsContact O-N 3.14Å | ||
| 662 | E | 51.7 | Low | 57.9 | Low | 161 Ų | 161 | 80.8 Ų | 80.8 | 75% | 0.752 | 50% | 0.498 | S | S | * | . | trans | -59.3 | 115.8 | 174.6 | -69.6 | -168.2 | 128.9 | 0 | 0 | 110.4 | ||||
| 663 | K | 61.2 | Low | 60.9 | Low | 179 Ų | 179 | 77.5 Ų | 77.5 | 78% | 0.778 | 46% | 0.464 | S | S | * | . | trans | -69.2 | 139.4 | 173.3 | -68.7 | 179.5 | 179.9 | 175.1 | 0 | 109.9 | V661 Y665 | V661-K663 PolarHBondContact O-N 2.8Å; V661-K663 VanDerWaalsContact O-N 3.14Å; K663-Y665 PolarHBondContact O-N 3.46Å | ||
| 664 | P | 68.8 | Low | 64 | Low | 22 Ų | 22 | 76.3 Ų | 76.3 | 14% | 0.143 | 43% | 0.434 | C | S | . | . | trans | -60.7 | 126.5 | 176.8 | 25.1 | -34.1 | 0 | 0 | 0 | 110.8 | N635 F666 L707 W709 | N635-P664 HydrophobicContact CB-CB 4.26Å; N635-P664 WeakPolarHBondContact OD1-CA 3.22Å; P664-F666 PolarHBondContact O-N 3.02Å; P664-L707 HydrophobicContact CG-CD1 3.62Å; P664-W709 HydrophobicContact CB-CH2 4.4Å; P664-W709 HydrophobicContact CB-CZ2 4.4Å; P664-W709 HydrophobicContact CG-CZ2 4.24Å | ||
| 665 | Y | 81.4 | Confident | 67 | Low | 118 Ų | 118 | 68.3 Ų | 68.3 | 46% | 0.463 | 39% | 0.391 | S | S | . | . | trans | -93.6 | 109.2 | -165.2 | -169.2 | -115.1 | 0 | 0 | 0 | 111.5 | T593 N635 K663 P667 I668 T669 | T593-Y665 HydrophobicContact CG2-CE1 4.39Å; N635-Y665 PolarHBondContact OD1-N 2.92Å; K663-Y665 PolarHBondContact O-N 3.46Å; Y665-P667 HydrophobicContact CD1-CB 4.06Å; Y665-P667 HydrophobicContact CD1-CG 4.05Å; Y665-P667 HydrophobicContact CE1-CB 3.64Å; Y665-P667 HydrophobicContact CE1-CG 3.52Å; Y665-P667 HydrophobicContact CE2-CG 4.3Å; Y665-I668 HydrophobicContact CD1-CB 4.18Å; Y665-I668 HydrophobicContact CD1-CD1 3.78Å; Y665-I668 HydrophobicContact CD1-CG1 3.82Å; Y665-I668 PolarHBondContact O-N 2.92Å; Y665-T669 PolarHBondContact O-N 2.74Å; Y665-T669 VanDerWaalsContact O-N 3.09Å; Y665-T669 PolarHBondContact O-OG1 3.49Å | ||
| 666 | F | 85.6 | Confident | 69.9 | Low | 3 Ų | 3 | 63.9 Ų | 63.9 | 1% | 0.013 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -51.1 | -48.3 | -173.7 | 175 | -105.5 | 0 | 0 | 0 | 114.2 | P664 I668 T669 V670 W709 L713 Y808 L811 K814 P817 | P664-F666 PolarHBondContact O-N 3.02Å; F666-I668 PolarHBondContact O-N 3.04Å; F666-I668 VanDerWaalsContact O-N 3.17Å; F666-T669 PolarHBondContact O-N 3.17Å; F666-V670 HydrophobicContact CD1-CG2 4.34Å; F666-V670 HydrophobicContact CD2-CG2 3.84Å; F666-V670 HydrophobicContact CE1-CG2 3.98Å; F666-V670 HydrophobicContact CE2-CG2 3.46Å; F666-V670 VanDerWaalsContact CE2-CG2 3.46Å; F666-V670 HydrophobicContact CG-CG2 4.27Å; F666-V670 HydrophobicContact CZ-CG2 3.54Å; F666-V670 WeakPolarHBondContact O-CG2 3.36Å; F666-V670 PolarHBondContact O-N 2.84Å; F666-W709 HydrophobicContact CB-CH2 4.32Å; F666-W709 HydrophobicContact CB-CZ3 4.4Å; F666-W709 AromaticContact CD2-CD2 4Å; F666-W709 HydrophobicContact CD2-CD2 4Å; F666-W709 AromaticContact CD2-CE3 3.52Å; F666-W709 HydrophobicContact CD2-CE3 3.52Å; F666-W709 HydrophobicContact CD2-CH2 4.47Å; F666-W709 AromaticContact CD2-CZ3 3.78Å; F666-W709 HydrophobicContact CD2-CZ3 3.78Å; F666-W709 HydrophobicContact CE2-CE3 4.13Å; F666-L713 HydrophobicContact CE2-CD1 4.21Å; F666-Y808 HydrophobicContact CE2-CD1 4.16Å; F666-Y808 HydrophobicContact CZ-CD1 4.24Å; F666-L811 HydrophobicContact CE1-CB 4.12Å; F666-L811 HydrophobicContact CZ-CB 3.99Å; F666-L811 HydrophobicContact CZ-CD1 4.4Å; F666-K814 WeakPolarHBondContact CD1-O 3.15Å; F666-K814 HydrophobicContact CE1-CB 4.26Å; F666-P817 HydrophobicContact CB-CB 4.19Å; F666-P817 HydrophobicContact CB-CG 4.35Å; F666-P817 HydrophobicContact CD1-CB 4.41Å; F666-P817 HydrophobicContact CD2-CB 3.68Å; F666-P817 HydrophobicContact CE2-CB 4.09Å; F666-P817 HydrophobicContact CG-CB 3.84Å |
| 667 | P | 85.2 | Confident | 72.6 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 4% | 0.039 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.2 | -28.8 | 177.2 | -26.9 | 33.8 | 0 | 0 | 0 | 115.6 | T593 Y665 R671 K814 G815 | T593-P667 HydrophobicContact CG2-CB 3.85Å; Y665-P667 HydrophobicContact CD1-CB 4.06Å; Y665-P667 HydrophobicContact CD1-CG 4.05Å; Y665-P667 HydrophobicContact CE1-CB 3.64Å; Y665-P667 HydrophobicContact CE1-CG 3.52Å; Y665-P667 HydrophobicContact CE2-CG 4.3Å; P667-R671 WeakPolarHBondContact O-CD 3.28Å; P667-R671 VanDerWaalsContact O-CG 3.29Å; P667-R671 WeakPolarHBondContact O-CG 3.19Å; P667-R671 PolarHBondContact O-NH1 2.99Å; P667-K814 WeakPolarHBondContact CG-O 3.47Å; P667-G815 WeakPolarHBondContact CD-O 3.48Å |
| 668 | I | 87.4 | Confident | 75.5 | Confident | 16 Ų | 16 | 52.8 Ų | 52.8 | 8% | 0.082 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -80.6 | -47.7 | 176.3 | -77.8 | 168.8 | 0 | 0 | 0 | 109.7 | R592 T593 L596 M631 Y665 F666 V670 R671 L672 | R592-I668 HydrophobicContact CB-CD1 3.78Å; R592-I668 HydrophobicContact CB-CG1 4.29Å; T593-I668 HydrophobicContact CG2-CG1 4.19Å; L596-I668 HydrophobicContact CD1-CG1 4.45Å; L596-I668 HydrophobicContact CD1-CG2 4.08Å; M631-I668 HydrophobicContact CE-CG2 3.96Å; Y665-I668 HydrophobicContact CD1-CB 4.18Å; Y665-I668 HydrophobicContact CD1-CD1 3.78Å; Y665-I668 HydrophobicContact CD1-CG1 3.82Å; Y665-I668 PolarHBondContact O-N 2.92Å; F666-I668 PolarHBondContact O-N 3.04Å; F666-I668 VanDerWaalsContact O-N 3.17Å; I668-V670 VanDerWaalsContact C-N 3.33Å; I668-V670 PolarHBondContact O-N 2.67Å; I668-R671 WeakPolarHBondContact O-CB 3.45Å; I668-R671 PolarHBondContact O-N 3.17Å; I668-R671 VanDerWaalsContact O-N 3.11Å; I668-L672 HydrophobicContact CG2-CD1 3.66Å; I668-L672 HydrophobicContact CG2-CG 4.14Å; I668-L672 WeakPolarHBondContact O-CG 3.37Å; I668-L672 PolarHBondContact O-N 3.47Å |
| 669 | T | 88.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | -179.1 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | Y665 F666 R671 L672 M673 W709 L713 | Y665-T669 PolarHBondContact O-N 2.74Å; Y665-T669 VanDerWaalsContact O-N 3.09Å; Y665-T669 PolarHBondContact O-OG1 3.49Å; F666-T669 PolarHBondContact O-N 3.17Å; T669-R671 VanDerWaalsContact C-N 3.34Å; T669-R671 PolarHBondContact O-N 2.98Å; T669-L672 PolarHBondContact O-N 3Å; T669-M673 HydrophobicContact CG2-CG 4.49Å; T669-M673 VanDerWaalsContact O-CG 3.31Å; T669-M673 WeakPolarHBondContact O-CG 3.18Å; T669-M673 PolarHBondContact O-N 2.73Å; T669-W709 HydrophobicContact CG2-CH2 4.34Å; T669-W709 HydrophobicContact CG2-CZ3 3.77Å; T669-L713 HydrophobicContact CG2-CD1 4.31Å |
| 670 | V | 89.7 | Confident | 81 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.7 | -46.4 | 173.4 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | F666 I668 M673 R674 L713 M809 V812 | F666-V670 HydrophobicContact CD1-CG2 4.34Å; F666-V670 HydrophobicContact CD2-CG2 3.84Å; F666-V670 HydrophobicContact CE1-CG2 3.98Å; F666-V670 HydrophobicContact CE2-CG2 3.46Å; F666-V670 VanDerWaalsContact CE2-CG2 3.46Å; F666-V670 HydrophobicContact CG-CG2 4.27Å; F666-V670 HydrophobicContact CZ-CG2 3.54Å; F666-V670 WeakPolarHBondContact O-CG2 3.36Å; F666-V670 PolarHBondContact O-N 2.84Å; I668-V670 VanDerWaalsContact C-N 3.33Å; I668-V670 PolarHBondContact O-N 2.67Å; V670-M673 PolarHBondContact O-N 2.89Å; V670-R674 WeakPolarHBondContact O-CD 3.48Å; V670-R674 VanDerWaalsContact O-CG 3.24Å; V670-R674 WeakPolarHBondContact O-CG 3.32Å; V670-R674 PolarHBondContact O-N 3.2Å; V670-L713 HydrophobicContact CG2-CD1 3.84Å; V670-L713 HydrophobicContact CG2-CD2 4.23Å; V670-M809 WeakPolarHBondContact CG1-O 3.5Å; V670-V812 HydrophobicContact CG1-CG2 4.02Å |
| 671 | R | 90.5 | Very high | 83.3 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 7% | 0.068 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.3 | -42.5 | 178.6 | -70.4 | 167.2 | 166.8 | 73.8 | 7.4 | 112.4 | T593 L596 D597 P667 I668 T669 M673 R674 L675 V812 | T593-R671 PolarHBondContact O-NE 3.43Å; T593-R671 VanDerWaalsContact O-NE 3.12Å; L596-R671 HydrophobicContact CB-CB 4.03Å; L596-R671 HydrophobicContact CD1-CB 4.09Å; D597-R671 VanDerWaalsContact CG-NE 3.33Å; D597-R671 WeakPolarHBondContact OD1-CD 3.46Å; D597-R671 IonicContact OD1-CZ 2.73Å; D597-R671 VanDerWaalsContact OD1-CZ 3.32Å; D597-R671 IonicContact OD1-NE 3.5Å; D597-R671 PolarHBondContact OD1-NE 3.28Å; D597-R671 IonicContact OD1-NH2 2.73Å; D597-R671 PolarHBondContact OD1-NH2 3.24Å; D597-R671 IonicContact OD2-CZ 3.94Å; D597-R671 IonicContact OD2-NE 2.95Å; D597-R671 IonicContact OD2-NH2 2.93Å; D597-R671 PolarHBondContact OD2-NH2 3.05Å; P667-R671 WeakPolarHBondContact O-CD 3.28Å; P667-R671 VanDerWaalsContact O-CG 3.29Å; P667-R671 WeakPolarHBondContact O-CG 3.19Å; P667-R671 PolarHBondContact O-NH1 2.99Å; I668-R671 WeakPolarHBondContact O-CB 3.45Å; I668-R671 PolarHBondContact O-N 3.17Å; I668-R671 VanDerWaalsContact O-N 3.11Å; T669-R671 VanDerWaalsContact C-N 3.34Å; T669-R671 PolarHBondContact O-N 2.98Å; R671-M673 VanDerWaalsContact C-N 3.32Å; R671-M673 PolarHBondContact O-N 3.48Å; R671-R674 PolarHBondContact O-N 3.23Å; R671-L675 WeakPolarHBondContact O-CB 3.3Å; R671-L675 VanDerWaalsContact O-CG 3.32Å; R671-L675 WeakPolarHBondContact O-CG 3.33Å; R671-L675 PolarHBondContact O-N 3.02Å; R671-V812 PolarHBondContact NH1-O 3.15Å; R671-V812 PolarHBondContact NH2-O 3.12Å |
| 672 | L | 91.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.2 | -39.2 | 176.3 | -68.1 | 172 | 0 | 0 | 0 | 111.8 | L596 M628 M631 F632 I668 T669 L675 V676 | L596-L672 HydrophobicContact CD1-CD2 4.03Å; L596-L672 HydrophobicContact CD1-CG 4.12Å; L596-L672 HydrophobicContact CD2-CD2 3.93Å; M628-L672 HydrophobicContact CB-CD2 4.45Å; M628-L672 HydrophobicContact CG-CD2 4.23Å; M631-L672 HydrophobicContact CB-CD1 3.81Å; M631-L672 HydrophobicContact CB-CD2 3.99Å; M631-L672 HydrophobicContact SD-CD2 4.43Å; F632-L672 HydrophobicContact CD1-CB 4.45Å; F632-L672 HydrophobicContact CD1-CD1 4.39Å; F632-L672 HydrophobicContact CD2-CB 4.31Å; F632-L672 HydrophobicContact CE1-CB 3.88Å; F632-L672 HydrophobicContact CE2-CB 3.7Å; F632-L672 HydrophobicContact CG-CD1 4.37Å; F632-L672 HydrophobicContact CZ-CB 3.48Å; F632-L672 VanDerWaalsContact CZ-CB 3.48Å; I668-L672 HydrophobicContact CG2-CD1 3.66Å; I668-L672 HydrophobicContact CG2-CG 4.14Å; I668-L672 WeakPolarHBondContact O-CG 3.37Å; I668-L672 PolarHBondContact O-N 3.47Å; T669-L672 PolarHBondContact O-N 3Å; L672-L675 PolarHBondContact O-N 2.97Å; L672-V676 WeakPolarHBondContact O-CG2 3.38Å; L672-V676 PolarHBondContact O-N 3.39Å |
| 673 | M | 91.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67 | -41.8 | 174.9 | -69.9 | -64.1 | -159.8 | 0 | 0 | 112.6 | F632 T669 V670 R671 L675 V676 N677 L698 F701 L713 V717 | F632-M673 HydrophobicContact CE1-CE 4.23Å; F632-M673 HydrophobicContact CE1-CG 4.41Å; F632-M673 HydrophobicContact CE1-SD 3.93Å; F632-M673 HydrophobicContact CZ-CG 4.49Å; F632-M673 HydrophobicContact CZ-SD 4Å; T669-M673 HydrophobicContact CG2-CG 4.49Å; T669-M673 VanDerWaalsContact O-CG 3.31Å; T669-M673 WeakPolarHBondContact O-CG 3.18Å; T669-M673 PolarHBondContact O-N 2.73Å; V670-M673 PolarHBondContact O-N 2.89Å; R671-M673 VanDerWaalsContact C-N 3.32Å; R671-M673 PolarHBondContact O-N 3.48Å; M673-L675 VanDerWaalsContact C-N 3.31Å; M673-L675 PolarHBondContact O-N 3.41Å; M673-V676 PolarHBondContact O-N 3.2Å; M673-N677 PolarHBondContact O-N 2.86Å; M673-L698 HydrophobicContact CE-CD2 4.06Å; M673-L698 HydrophobicContact SD-CD2 3.68Å; M673-F701 HydrophobicContact CE-CD2 3.55Å; M673-F701 HydrophobicContact CE-CE2 3.73Å; M673-F701 HydrophobicContact CE-CG 4.03Å; M673-F701 HydrophobicContact CE-CZ 4.33Å; M673-L713 HydrophobicContact CE-CB 4.46Å; M673-L713 HydrophobicContact CG-CB 4.27Å; M673-V717 HydrophobicContact CB-CG2 4.03Å; M673-V717 HydrophobicContact SD-CG2 4.32Å |
| 674 | R | 92.4 | Very high | 88.4 | Confident | 58 Ų | 58 | 18.6 Ų | 18.6 | 22% | 0.219 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.4 | -41 | 173.1 | -67.3 | 161.7 | 67.8 | 85.9 | 8.3 | 111.8 | E600 V670 R671 N677 I678 M809 D810 | E600-R674 IonicContact OE1-CZ 3.58Å; E600-R674 IonicContact OE1-NE 3.59Å; E600-R674 PolarHBondContact OE1-NE 3.36Å; E600-R674 IonicContact OE1-NH2 3Å; E600-R674 PolarHBondContact OE1-NH2 3.11Å; E600-R674 VanDerWaalsContact OE2-CB 3.32Å; E600-R674 WeakPolarHBondContact OE2-CB 3.24Å; E600-R674 WeakPolarHBondContact OE2-CD 3.44Å; E600-R674 IonicContact OE2-CZ 2.78Å; E600-R674 IonicContact OE2-NE 3.22Å; E600-R674 PolarHBondContact OE2-NE 3.44Å; E600-R674 IonicContact OE2-NH2 3.77Å; V670-R674 WeakPolarHBondContact O-CD 3.48Å; V670-R674 VanDerWaalsContact O-CG 3.24Å; V670-R674 WeakPolarHBondContact O-CG 3.32Å; V670-R674 PolarHBondContact O-N 3.2Å; R671-R674 PolarHBondContact O-N 3.23Å; R674-N677 WeakPolarHBondContact O-CB 3.29Å; R674-N677 PolarHBondContact O-N 3.18Å; R674-I678 WeakPolarHBondContact O-CG1 3.28Å; R674-I678 PolarHBondContact O-N 2.89Å; R674-M809 WeakPolarHBondContact CD-O 3.46Å; R674-M809 HydrophobicContact CG-CB 4.5Å; R674-M809 HydrophobicContact CG-CG 4.2Å; R674-M809 HydrophobicContact CG-SD 4.23Å; R674-M809 PolarHBondContact NH1-O 3.46Å; R674-D810 IonicContact NH1-OD1 3.15Å |
| 675 | L | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.7 | -45.4 | 174.7 | -75.3 | 168 | 0 | 0 | 0 | 112.4 | L596 I599 E600 L603 M628 R671 L672 M673 N677 I678 L679 | L596-L675 HydrophobicContact CB-CD1 4.34Å; L596-L675 HydrophobicContact CD2-CD1 3.69Å; I599-L675 HydrophobicContact CG2-CD1 4.25Å; I599-L675 HydrophobicContact CG2-CD2 3.81Å; E600-L675 HydrophobicContact CB-CD2 3.82Å; E600-L675 HydrophobicContact CB-CG 4.37Å; E600-L675 HydrophobicContact CG-CD2 4.15Å; L603-L675 HydrophobicContact CD1-CD2 4.04Å; M628-L675 HydrophobicContact CE-CB 3.49Å; M628-L675 VanDerWaalsContact CE-CB 3.49Å; M628-L675 HydrophobicContact SD-CB 3.85Å; M628-L675 HydrophobicContact SD-CD1 4.28Å; R671-L675 WeakPolarHBondContact O-CB 3.3Å; R671-L675 VanDerWaalsContact O-CG 3.32Å; R671-L675 WeakPolarHBondContact O-CG 3.33Å; R671-L675 PolarHBondContact O-N 3.02Å; L672-L675 PolarHBondContact O-N 2.97Å; M673-L675 VanDerWaalsContact C-N 3.31Å; M673-L675 PolarHBondContact O-N 3.41Å; L675-N677 VanDerWaalsContact C-N 3.3Å; L675-N677 PolarHBondContact O-N 2.8Å; L675-I678 PolarHBondContact O-N 2.79Å; L675-I678 VanDerWaalsContact O-N 3.11Å; L675-L679 WeakPolarHBondContact O-CG 3.37Å; L675-L679 PolarHBondContact O-N 3.4Å |
| 676 | V | 91.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.3 | -45.4 | 174.5 | 164.4 | 0 | 0 | 0 | 0 | 111.2 | M628 F632 L672 M673 I678 L679 Q680 F694 L698 V717 | M628-V676 HydrophobicContact CE-CG2 3.71Å; F632-V676 HydrophobicContact CE2-CG2 3.42Å; F632-V676 VanDerWaalsContact CE2-CG2 3.42Å; F632-V676 HydrophobicContact CZ-CG2 3.7Å; L672-V676 WeakPolarHBondContact O-CG2 3.38Å; L672-V676 PolarHBondContact O-N 3.39Å; M673-V676 PolarHBondContact O-N 3.2Å; V676-I678 VanDerWaalsContact C-N 3.32Å; V676-I678 PolarHBondContact O-N 3.1Å; V676-L679 PolarHBondContact O-N 3.17Å; V676-Q680 HydrophobicContact CG1-CG 4.35Å; V676-Q680 WeakPolarHBondContact O-CB 3.4Å; V676-Q680 WeakPolarHBondContact O-CG 3.33Å; V676-Q680 PolarHBondContact O-N 2.98Å; V676-F694 HydrophobicContact CG1-CB 3.9Å; V676-F694 HydrophobicContact CG1-CG 4.31Å; V676-F694 HydrophobicContact CG2-CB 4.32Å; V676-F694 HydrophobicContact CG2-CD1 3.57Å; V676-F694 HydrophobicContact CG2-CE1 3.98Å; V676-F694 HydrophobicContact CG2-CG 3.91Å; V676-L698 HydrophobicContact CG1-CD1 4.21Å; V676-V717 HydrophobicContact CG1-CG1 4.41Å |
| 677 | N | 91.7 | Very high | 89.5 | Confident | 24 Ų | 24 | 17.7 Ų | 17.7 | 13% | 0.128 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.8 | -44.5 | 175.2 | -177.6 | 94.4 | 0 | 0 | 0 | 111.7 | M673 R674 L675 H681 V717 K720 | M673-N677 PolarHBondContact O-N 2.86Å; R674-N677 WeakPolarHBondContact O-CB 3.29Å; R674-N677 PolarHBondContact O-N 3.18Å; L675-N677 VanDerWaalsContact C-N 3.3Å; L675-N677 PolarHBondContact O-N 2.8Å; N677-H681 WeakPolarHBondContact O-CB 3.5Å; N677-H681 PolarHBondContact O-N 3.31Å; N677-H681 PolarHBondContact O-ND1 2.89Å; N677-H681 PolarHBondContact OD1-CE1 3.5Å; N677-V717 HydrophobicContact CB-CG1 4.29Å; N677-K720 VanDerWaalsContact OD1-CB 3.32Å; N677-K720 WeakPolarHBondContact OD1-CB 3.35Å; N677-K720 WeakPolarHBondContact OD1-CD 3.23Å |
| 678 | I | 92 | Very high | 89.6 | Confident | 22 Ų | 22 | 20.6 Ų | 20.6 | 11% | 0.113 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.8 | -43.7 | 176.2 | -68.8 | 163 | 0 | 0 | 0 | 111.6 | E600 L603 R674 L675 V676 Q680 S682 Y683 | E600-I678 HydrophobicContact CG-CD1 3.48Å; E600-I678 VanDerWaalsContact CG-CD1 3.48Å; L603-I678 HydrophobicContact CB-CG2 3.97Å; R674-I678 WeakPolarHBondContact O-CG1 3.28Å; R674-I678 PolarHBondContact O-N 2.89Å; L675-I678 PolarHBondContact O-N 2.79Å; L675-I678 VanDerWaalsContact O-N 3.11Å; V676-I678 VanDerWaalsContact C-N 3.32Å; V676-I678 PolarHBondContact O-N 3.1Å; I678-Q680 PolarHBondContact O-N 2.92Å; I678-S682 VanDerWaalsContact O-CB 3.23Å; I678-S682 WeakPolarHBondContact O-CB 3.4Å; I678-S682 PolarHBondContact O-N 3.24Å; I678-Y683 HydrophobicContact CG2-CE2 4.09Å |
| 679 | L | 91.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 178 | -68 | -171.8 | 0 | 0 | 0 | 111.9 | L603 L620 M628 L675 V676 Y683 S684 L687 F694 | L603-L679 HydrophobicContact CD1-CD2 3.83Å; L620-L679 HydrophobicContact CD1-CD2 3.93Å; M628-L679 HydrophobicContact CE-CD1 3.61Å; M628-L679 HydrophobicContact CE-CG 4.33Å; M628-L679 HydrophobicContact SD-CD1 3.7Å; M628-L679 HydrophobicContact SD-CG 4.47Å; L675-L679 WeakPolarHBondContact O-CG 3.37Å; L675-L679 PolarHBondContact O-N 3.4Å; V676-L679 PolarHBondContact O-N 3.17Å; L679-Y683 HydrophobicContact CD2-CD2 4.09Å; L679-Y683 CarbonylContact O-C 3.52Å; L679-Y683 WeakPolarHBondContact O-CA 3.38Å; L679-Y683 WeakPolarHBondContact O-CB 3.47Å; L679-Y683 PolarHBondContact O-N 3.26Å; L679-S684 PolarHBondContact O-N 3Å; L679-L687 HydrophobicContact CB-CD1 4.23Å; L679-L687 HydrophobicContact CD1-CD1 4.3Å; L679-L687 HydrophobicContact CD2-CD1 3.81Å; L679-L687 HydrophobicContact CG-CD1 4.34Å; L679-F694 HydrophobicContact CD1-CD2 4.3Å; L679-F694 HydrophobicContact CD1-CE2 3.5Å; L679-F694 HydrophobicContact CD1-CZ 3.96Å |
| 680 | Q | 89.4 | Confident | 89.7 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.1 | -52.9 | 178.5 | -70.7 | 165.7 | -24.2 | 0 | 0 | 111.6 | V676 I678 S684 L727 F731 | V676-Q680 HydrophobicContact CG1-CG 4.35Å; V676-Q680 WeakPolarHBondContact O-CB 3.4Å; V676-Q680 WeakPolarHBondContact O-CG 3.33Å; V676-Q680 PolarHBondContact O-N 2.98Å; I678-Q680 PolarHBondContact O-N 2.92Å; Q680-S684 WeakPolarHBondContact O-CB 3.42Å; Q680-S684 PolarHBondContact O-OG 2.8Å; Q680-L727 HydrophobicContact CB-CD2 4.44Å; Q680-L727 WeakPolarHBondContact O-CD1 3.26Å; Q680-F731 HydrophobicContact CB-CZ 4.13Å; Q680-F731 HydrophobicContact CG-CZ 4.19Å |
| 681 | H | 89 | Confident | 89.7 | Confident | 56 Ų | 56 | 24.8 Ų | 24.8 | 26% | 0.259 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -71.4 | -36.3 | -175.7 | -68.9 | 74 | 0 | 0 | 0 | 113.4 | N677 K720 | N677-H681 WeakPolarHBondContact O-CB 3.5Å; N677-H681 PolarHBondContact O-N 3.31Å; N677-H681 PolarHBondContact O-ND1 2.89Å; N677-H681 PolarHBondContact OD1-CE1 3.5Å; H681-K720 PolarHBondContact NE2-O 3.26Å |
| 682 | S | 88.2 | Confident | 89.6 | Confident | 33 Ų | 33 | 26.2 Ų | 26.2 | 23% | 0.231 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -103.1 | -17.1 | -169.5 | -61.3 | 0 | 0 | 0 | 0 | 115 | Q607 I678 | Q607-S682 PolarHBondContact NE2-O 3.3Å; I678-S682 VanDerWaalsContact O-CB 3.23Å; I678-S682 WeakPolarHBondContact O-CB 3.4Å; I678-S682 PolarHBondContact O-N 3.24Å |
| 683 | Y | 91.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -138.4 | 3.9 | -168.4 | -58.2 | -79 | 0 | 0 | 0 | 115.5 | L603 Q607 F610 L620 I678 L679 S685 V686 L687 | L603-Y683 HydrophobicContact CB-CE2 4.19Å; L603-Y683 HydrophobicContact CD2-CE2 4.13Å; L603-Y683 PolarHBondContact O-OH 2.76Å; Q607-Y683 VanDerWaalsContact CA-OH 3.31Å; Q607-Y683 WeakPolarHBondContact CA-OH 3.45Å; Q607-Y683 HydrophobicContact CG-CE1 4.24Å; F610-Y683 HydrophobicContact CB-CD1 4.32Å; F610-Y683 HydrophobicContact CB-CE1 3.37Å; L620-Y683 HydrophobicContact CD2-CD1 3.88Å; L620-Y683 HydrophobicContact CD2-CE1 4.4Å; L620-Y683 HydrophobicContact CD2-CG 4.07Å; I678-Y683 HydrophobicContact CG2-CE2 4.09Å; L679-Y683 HydrophobicContact CD2-CD2 4.09Å; L679-Y683 CarbonylContact O-C 3.52Å; L679-Y683 WeakPolarHBondContact O-CA 3.38Å; L679-Y683 WeakPolarHBondContact O-CB 3.47Å; L679-Y683 PolarHBondContact O-N 3.26Å; Y683-S685 PolarHBondContact O-N 2.92Å; Y683-S685 VanDerWaalsContact O-N 3.14Å; Y683-V686 PolarHBondContact O-N 3.39Å; Y683-L687 WeakPolarHBondContact O-CB 3.21Å; Y683-L687 PolarHBondContact O-N 3.38Å |
| 684 | S | 87.3 | Confident | 89.5 | Confident | 12 Ų | 12 | 30 Ų | 30 | 8% | 0.084 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -32.6 | -178.5 | 40.9 | 0 | 0 | 0 | 0 | 115.2 | L679 Q680 V686 I688 L727 | L679-S684 PolarHBondContact O-N 3Å; Q680-S684 WeakPolarHBondContact O-CB 3.42Å; Q680-S684 PolarHBondContact O-OG 2.8Å; S684-V686 PolarHBondContact O-N 3.04Å; S684-I688 WeakPolarHBondContact O-CG1 3.23Å; S684-I688 PolarHBondContact O-N 2.69Å; S684-L727 WeakPolarHBondContact OG-CD1 3.31Å |
| 685 | S | 83.2 | Confident | 89.3 | Confident | 90 Ų | 90 | 27.3 Ų | 27.3 | 63% | 0.629 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -19.5 | 175.9 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | Y683 | Y683-S685 PolarHBondContact O-N 2.92Å; Y683-S685 VanDerWaalsContact O-N 3.14Å |
| 686 | V | 87.5 | Confident | 89.1 | Confident | 34 Ų | 34 | 29.8 Ų | 29.8 | 21% | 0.206 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | -35.1 | 178 | -177.5 | 0 | 0 | 0 | 0 | 111 | I617 K621 Y683 S684 | I617-V686 HydrophobicContact CB-CG1 4.48Å; I617-V686 HydrophobicContact CD1-CG1 4.47Å; I617-V686 HydrophobicContact CG1-CG1 4.2Å; I617-V686 HydrophobicContact CG2-CG1 3.58Å; K621-V686 WeakPolarHBondContact CE-O 3.38Å; K621-V686 PolarHBondContact NZ-O 3.47Å; Y683-V686 PolarHBondContact O-N 3.39Å; S684-V686 PolarHBondContact O-N 3.04Å |
| 687 | L | 88.3 | Confident | 89 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -100.9 | 42.5 | -173.6 | -63.7 | -173.7 | 0 | 0 | 0 | 113.3 | L620 K621 L679 Y683 T689 E690 C691 | L620-L687 HydrophobicContact CD2-CD1 3.78Å; L620-L687 HydrophobicContact CD2-CD2 3.99Å; L620-L687 HydrophobicContact CD2-CG 4Å; L620-L687 HydrophobicContact CG-CD1 3.96Å; L620-L687 HydrophobicContact CG-CD2 4.05Å; L620-L687 HydrophobicContact CG-CG 4.41Å; K621-L687 HydrophobicContact CG-CD2 3.67Å; L679-L687 HydrophobicContact CB-CD1 4.23Å; L679-L687 HydrophobicContact CD1-CD1 4.3Å; L679-L687 HydrophobicContact CD2-CD1 3.81Å; L679-L687 HydrophobicContact CG-CD1 4.34Å; Y683-L687 WeakPolarHBondContact O-CB 3.21Å; Y683-L687 PolarHBondContact O-N 3.38Å; L687-T689 PolarHBondContact O-N 2.73Å; L687-E690 WeakPolarHBondContact CA-OE2 3.44Å; L687-E690 HydrophobicContact CB-CB 4.25Å; L687-E690 HydrophobicContact CD2-CG 4.46Å; L687-E690 PolarHBondContact O-N 2.89Å; L687-C691 VanDerWaalsContact O-CB 3.27Å; L687-C691 WeakPolarHBondContact O-CB 3.49Å; L687-C691 PolarHBondContact O-N 3.27Å; L687-C691 PolarHBondContact O-SG 3.49Å | ||
| 688 | I | 86.7 | Confident | 88.9 | Confident | 66 Ų | 66 | 30.3 Ų | 30.3 | 34% | 0.338 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -56.1 | -55 | -173.5 | -62.4 | 173.9 | 0 | 0 | 0 | 111.5 | S684 E690 C691 E692 A734 F735 | S684-I688 WeakPolarHBondContact O-CG1 3.23Å; S684-I688 PolarHBondContact O-N 2.69Å; I688-E690 VanDerWaalsContact C-N 3.33Å; I688-E690 PolarHBondContact O-N 2.75Å; I688-C691 PolarHBondContact O-N 2.89Å; I688-E692 PolarHBondContact O-N 2.86Å; I688-E692 VanDerWaalsContact O-N 3.09Å; I688-A734 HydrophobicContact CG2-CB 4.12Å; I688-F735 HydrophobicContact CG2-CE1 3.61Å; I688-F735 HydrophobicContact CG2-CZ 3.95Å; I688-F735 VanDerWaalsContact O-CZ 3.31Å; I688-F735 WeakPolarHBondContact O-CZ 3.44Å |
| 689 | T | 87.4 | Confident | 88.8 | Confident | 83 Ų | 83 | 30.7 Ų | 30.7 | 51% | 0.509 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.3 | -37.2 | 179.4 | 27.7 | 0 | 0 | 0 | 0 | 113.6 | L687 I693 | L687-T689 PolarHBondContact O-N 2.73Å; T689-I693 WeakPolarHBondContact O-CG1 3.43Å; T689-I693 PolarHBondContact O-N 3.44Å |
| 690 | E | 89.6 | Confident | 88.6 | Confident | 22 Ų | 22 | 36.2 Ų | 36.2 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -78 | -35.8 | -177.3 | -56.4 | 87.3 | 150 | 0 | 0 | 110.4 | K621 C625 L687 I688 I693 F694 | K621-E690 WeakPolarHBondContact CD-OE1 3.49Å; K621-E690 VanDerWaalsContact CG-OE1 3.25Å; K621-E690 WeakPolarHBondContact CG-OE1 3.3Å; K621-E690 VanDerWaalsContact NZ-CD 3.34Å; K621-E690 IonicContact NZ-OE1 3.85Å; K621-E690 PolarHBondContact NZ-OE1 2.84Å; K621-E690 IonicContact NZ-OE2 3.79Å; K621-E690 PolarHBondContact NZ-OE2 3.16Å; K621-E690 VanDerWaalsContact NZ-OE2 3.1Å; C625-E690 HydrophobicContact CB-CB 4.46Å; C625-E690 HydrophobicContact CB-CG 4.2Å; L687-E690 WeakPolarHBondContact CA-OE2 3.44Å; L687-E690 HydrophobicContact CB-CB 4.25Å; L687-E690 HydrophobicContact CD2-CG 4.46Å; L687-E690 PolarHBondContact O-N 2.89Å; I688-E690 VanDerWaalsContact C-N 3.33Å; I688-E690 PolarHBondContact O-N 2.75Å; E690-I693 PolarHBondContact O-N 3.46Å; E690-F694 HydrophobicContact CB-CE2 4.2Å; E690-F694 WeakPolarHBondContact O-CD2 3.31Å; E690-F694 WeakPolarHBondContact O-CG 3.45Å; E690-F694 PolarHBondContact O-N 3.23Å |
| 691 | C | 90.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65 | -38.1 | 171.8 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | L687 I688 F694 L695 F731 | L687-C691 VanDerWaalsContact O-CB 3.27Å; L687-C691 WeakPolarHBondContact O-CB 3.49Å; L687-C691 PolarHBondContact O-N 3.27Å; L687-C691 PolarHBondContact O-SG 3.49Å; I688-C691 PolarHBondContact O-N 2.89Å; C691-F694 PolarHBondContact O-N 3.33Å; C691-L695 WeakPolarHBondContact O-CB 3.28Å; C691-L695 WeakPolarHBondContact O-CD1 3.48Å; C691-L695 WeakPolarHBondContact O-CG 3.4Å; C691-L695 PolarHBondContact O-N 2.92Å; C691-F731 HydrophobicContact CB-CE1 3.92Å; C691-F731 HydrophobicContact CB-CZ 4.24Å |
| 692 | E | 89.1 | Confident | 88.6 | Confident | 47 Ų | 47 | 34 Ų | 34 | 22% | 0.22 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56 | -52 | 172.1 | -165.4 | 169 | -173 | 0 | 0 | 110.4 | I688 F694 L695 S696 F735 V744 | I688-E692 PolarHBondContact O-N 2.86Å; I688-E692 VanDerWaalsContact O-N 3.09Å; E692-F694 PolarHBondContact O-N 3Å; E692-L695 PolarHBondContact O-N 3.29Å; E692-S696 PolarHBondContact O-N 2.98Å; E692-S696 PolarHBondContact O-OG 2.88Å; E692-F735 HydrophobicContact CB-CD1 4.42Å; E692-F735 HydrophobicContact CB-CE1 3.67Å; E692-F735 HydrophobicContact CB-CZ 3.89Å; E692-F735 HydrophobicContact CG-CD1 4.23Å; E692-F735 HydrophobicContact CG-CE1 3.97Å; E692-F735 HydrophobicContact CG-CZ 4.49Å; E692-V744 HydrophobicContact CG-CG2 4.1Å |
| 693 | I | 88.3 | Confident | 88.5 | Confident | 79 Ų | 79 | 35.7 Ų | 35.7 | 41% | 0.405 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.9 | -45.5 | 176.4 | -64.2 | 166.7 | 0 | 0 | 0 | 111.6 | I629 T689 E690 L697 | I629-I693 HydrophobicContact CD1-CD1 4.43Å; I629-I693 HydrophobicContact CD1-CG2 4.09Å; I629-I693 HydrophobicContact CG1-CG2 4.35Å; T689-I693 WeakPolarHBondContact O-CG1 3.43Å; T689-I693 PolarHBondContact O-N 3.44Å; E690-I693 PolarHBondContact O-N 3.46Å; I693-L697 HydrophobicContact CG2-CD1 4.07Å; I693-L697 WeakPolarHBondContact O-CB 3.48Å; I693-L697 VanDerWaalsContact O-CG 3.3Å; I693-L697 WeakPolarHBondContact O-CG 3.32Å; I693-L697 PolarHBondContact O-N 3.42Å |
| 694 | F | 90.8 | Very high | 88 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.9 | -35.2 | 179.2 | -67.4 | -52.3 | 0 | 0 | 0 | 112.9 | C625 M628 I629 F632 V676 L679 E690 C691 E692 L697 L698 | C625-F694 HydrophobicContact CB-CZ 4.39Å; M628-F694 HydrophobicContact CB-CE1 4.28Å; M628-F694 HydrophobicContact CB-CZ 4.21Å; M628-F694 HydrophobicContact CE-CE1 4.21Å; M628-F694 HydrophobicContact CE-CZ 4.02Å; I629-F694 HydrophobicContact CD1-CE1 4.42Å; I629-F694 HydrophobicContact CD1-CZ 4.29Å; I629-F694 HydrophobicContact CG1-CD1 4.49Å; I629-F694 HydrophobicContact CG1-CE1 3.62Å; I629-F694 HydrophobicContact CG1-CZ 3.88Å; F632-F694 HydrophobicContact CD2-CE1 4.46Å; F632-F694 HydrophobicContact CE2-CE1 4.44Å; V676-F694 HydrophobicContact CG1-CB 3.9Å; V676-F694 HydrophobicContact CG1-CG 4.31Å; V676-F694 HydrophobicContact CG2-CB 4.32Å; V676-F694 HydrophobicContact CG2-CD1 3.57Å; V676-F694 HydrophobicContact CG2-CE1 3.98Å; V676-F694 HydrophobicContact CG2-CG 3.91Å; L679-F694 HydrophobicContact CD1-CD2 4.3Å; L679-F694 HydrophobicContact CD1-CE2 3.5Å; L679-F694 HydrophobicContact CD1-CZ 3.96Å; E690-F694 HydrophobicContact CB-CE2 4.2Å; E690-F694 WeakPolarHBondContact O-CD2 3.31Å; E690-F694 WeakPolarHBondContact O-CG 3.45Å; E690-F694 PolarHBondContact O-N 3.23Å; C691-F694 PolarHBondContact O-N 3.33Å; E692-F694 PolarHBondContact O-N 3Å; F694-L697 HydrophobicContact CD1-CD1 4.3Å; F694-L697 PolarHBondContact O-N 3.31Å; F694-L698 WeakPolarHBondContact O-CG 3.36Å; F694-L698 PolarHBondContact O-N 3.18Å |
| 695 | L | 89.5 | Confident | 87.7 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.4 | -44 | 176.4 | -70.8 | 161.5 | 0 | 0 | 0 | 111.4 | C691 E692 L697 L698 I699 V721 F731 F735 V744 | C691-L695 WeakPolarHBondContact O-CB 3.28Å; C691-L695 WeakPolarHBondContact O-CD1 3.48Å; C691-L695 WeakPolarHBondContact O-CG 3.4Å; C691-L695 PolarHBondContact O-N 2.92Å; E692-L695 PolarHBondContact O-N 3.29Å; L695-L697 VanDerWaalsContact C-N 3.28Å; L695-L697 PolarHBondContact O-N 3.17Å; L695-L698 HydrophobicContact CD2-CD1 4.41Å; L695-L698 PolarHBondContact O-N 3.28Å; L695-I699 WeakPolarHBondContact O-CG1 3.29Å; L695-I699 PolarHBondContact O-N 3.26Å; L695-V721 HydrophobicContact CD2-CG1 4.32Å; L695-F731 HydrophobicContact CD1-CD1 4.44Å; L695-F731 HydrophobicContact CD1-CD2 3.93Å; L695-F731 HydrophobicContact CD1-CE1 4.24Å; L695-F731 HydrophobicContact CD1-CE2 3.72Å; L695-F731 HydrophobicContact CD1-CG 4.29Å; L695-F731 HydrophobicContact CD1-CZ 3.88Å; L695-F731 HydrophobicContact CD2-CE2 4.29Å; L695-F735 HydrophobicContact CD1-CE2 4.33Å; L695-V744 HydrophobicContact CB-CG1 3.55Å; L695-V744 HydrophobicContact CD1-CG1 3.57Å; L695-V744 HydrophobicContact CG-CG1 4.1Å |
| 696 | S | 89.1 | Confident | 87.7 | Confident | 52 Ų | 52 | 38.8 Ų | 38.8 | 36% | 0.364 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63 | -33.1 | 172.8 | -55.7 | 0 | 0 | 0 | 0 | 112.8 | E692 K700 | E692-S696 PolarHBondContact O-N 2.98Å; E692-S696 PolarHBondContact O-OG 2.88Å; S696-K700 WeakPolarHBondContact O-CB 3.39Å; S696-K700 PolarHBondContact O-N 2.86Å; S696-K700 VanDerWaalsContact O-N 3.11Å |
| 697 | L | 88.1 | Confident | 87.6 | Confident | 34 Ų | 34 | 39.9 Ų | 39.9 | 18% | 0.178 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.4 | -41.8 | 172.4 | -77.3 | 170.4 | 0 | 0 | 0 | 112.2 | M636 I693 F694 L695 K700 F701 | M636-L697 HydrophobicContact CE-CD2 3.96Å; I693-L697 HydrophobicContact CG2-CD1 4.07Å; I693-L697 WeakPolarHBondContact O-CB 3.48Å; I693-L697 VanDerWaalsContact O-CG 3.3Å; I693-L697 WeakPolarHBondContact O-CG 3.32Å; I693-L697 PolarHBondContact O-N 3.42Å; F694-L697 HydrophobicContact CD1-CD1 4.3Å; F694-L697 PolarHBondContact O-N 3.31Å; L695-L697 VanDerWaalsContact C-N 3.28Å; L695-L697 PolarHBondContact O-N 3.17Å; L697-K700 PolarHBondContact O-N 3.48Å; L697-F701 WeakPolarHBondContact O-CD2 3.42Å; L697-F701 PolarHBondContact O-N 2.71Å |
| 698 | L | 89.8 | Confident | 87.5 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.3 | -44.8 | 175.5 | -72 | 168.1 | 0 | 0 | 0 | 111.7 | M673 V676 F694 L695 K700 F701 S714 V717 I718 | M673-L698 HydrophobicContact CE-CD2 4.06Å; M673-L698 HydrophobicContact SD-CD2 3.68Å; V676-L698 HydrophobicContact CG1-CD1 4.21Å; F694-L698 WeakPolarHBondContact O-CG 3.36Å; F694-L698 PolarHBondContact O-N 3.18Å; L695-L698 HydrophobicContact CD2-CD1 4.41Å; L695-L698 PolarHBondContact O-N 3.28Å; L698-K700 VanDerWaalsContact C-N 3.33Å; L698-K700 PolarHBondContact O-N 3.05Å; L698-F701 WeakPolarHBondContact O-CB 3.31Å; L698-F701 PolarHBondContact O-N 2.9Å; L698-S714 VanDerWaalsContact C-OG 3.31Å; L698-S714 WeakPolarHBondContact CA-OG 3.31Å; L698-S714 WeakPolarHBondContact CD2-OG 3.4Å; L698-S714 PolarHBondContact O-OG 3.23Å; L698-V717 HydrophobicContact CD1-CB 4.28Å; L698-V717 HydrophobicContact CD1-CG1 3.63Å; L698-V717 HydrophobicContact CD2-CB 3.93Å; L698-V717 HydrophobicContact CD2-CG1 4.05Å; L698-V717 HydrophobicContact CD2-CG2 4.38Å; L698-I718 HydrophobicContact CB-CD1 4.35Å; L698-I718 HydrophobicContact CB-CG1 4.29Å |
| 699 | I | 89.8 | Confident | 87.5 | Confident | 31 Ų | 31 | 41 Ų | 41 | 16% | 0.159 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.7 | -49.2 | 174.2 | -68.8 | 168 | 0 | 0 | 0 | 110.3 | L695 F701 L702 E747 L748 A751 | L695-I699 WeakPolarHBondContact O-CG1 3.29Å; L695-I699 PolarHBondContact O-N 3.26Å; I699-F701 PolarHBondContact O-N 2.68Å; I699-L702 WeakPolarHBondContact O-CB 3.49Å; I699-L702 PolarHBondContact O-N 3.3Å; I699-E747 HydrophobicContact CD1-CB 4.02Å; I699-L748 HydrophobicContact CD1-CB 4.13Å; I699-L748 HydrophobicContact CD1-CD1 4.33Å; I699-L748 HydrophobicContact CG1-CB 4.44Å; I699-L748 HydrophobicContact CG1-CD1 3.81Å; I699-A751 HydrophobicContact CG1-CB 4.43Å; I699-A751 HydrophobicContact CG2-CB 3.84Å |
| 700 | K | 88.2 | Confident | 87.6 | Confident | 115 Ų | 115 | 37.2 Ų | 37.2 | 50% | 0.5 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.3 | -13.1 | 178.9 | -164.5 | 170.2 | -179.6 | 168.7 | 0 | 114.4 | M636 S696 L697 L698 L702 D703 K706 | M636-K700 HydrophobicContact CE-CB 4.19Å; M636-K700 HydrophobicContact CE-CD 3.79Å; M636-K700 HydrophobicContact CE-CG 3.87Å; S696-K700 WeakPolarHBondContact O-CB 3.39Å; S696-K700 PolarHBondContact O-N 2.86Å; S696-K700 VanDerWaalsContact O-N 3.11Å; L697-K700 PolarHBondContact O-N 3.48Å; L698-K700 VanDerWaalsContact C-N 3.33Å; L698-K700 PolarHBondContact O-N 3.05Å; K700-L702 VanDerWaalsContact C-N 3.33Å; K700-D703 WeakPolarHBondContact CG-OD2 3.34Å; K700-D703 VanDerWaalsContact O-OD2 3.14Å; K700-K706 WeakPolarHBondContact O-CE 3.31Å; K700-K706 PolarHBondContact O-NZ 3.09Å |
| 701 | F | 88.5 | Confident | 87.6 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -8.2 | 169.9 | -85.4 | -64.4 | 0 | 0 | 0 | 113.6 | F632 M636 M673 L697 L698 I699 Q710 R711 | F632-F701 AromaticContact CD1-CE2 3.73Å; F632-F701 HydrophobicContact CD1-CE2 3.73Å; F632-F701 AromaticContact CD1-CZ 3.87Å; F632-F701 HydrophobicContact CD1-CZ 3.87Å; F632-F701 AromaticContact CE1-CE2 3.85Å; F632-F701 HydrophobicContact CE1-CE2 3.85Å; F632-F701 HydrophobicContact CE1-CZ 4.22Å; M636-F701 HydrophobicContact CG-CE1 4.25Å; M636-F701 HydrophobicContact CG-CE2 4.48Å; M636-F701 HydrophobicContact CG-CZ 3.83Å; M636-F701 HydrophobicContact SD-CD1 3.88Å; M636-F701 HydrophobicContact SD-CD2 4.31Å; M636-F701 HydrophobicContact SD-CE1 3.35Å; M636-F701 WeakPolarHBondContact SD-CE1 3.41Å; M636-F701 HydrophobicContact SD-CE2 3.84Å; M636-F701 HydrophobicContact SD-CG 4.33Å; M636-F701 HydrophobicContact SD-CZ 3.33Å; M636-F701 WeakPolarHBondContact SD-CZ 3.49Å; M673-F701 HydrophobicContact CE-CD2 3.55Å; M673-F701 HydrophobicContact CE-CE2 3.73Å; M673-F701 HydrophobicContact CE-CG 4.03Å; M673-F701 HydrophobicContact CE-CZ 4.33Å; L697-F701 WeakPolarHBondContact O-CD2 3.42Å; L697-F701 PolarHBondContact O-N 2.71Å; L698-F701 WeakPolarHBondContact O-CB 3.31Å; L698-F701 PolarHBondContact O-N 2.9Å; I699-F701 PolarHBondContact O-N 2.68Å; F701-Q710 HydrophobicContact CD1-CB 3.92Å; F701-Q710 HydrophobicContact CE1-CB 4.27Å; F701-Q710 HydrophobicContact CE1-CG 4.45Å; F701-R711 WeakPolarHBondContact O-CA 3.43Å; F701-R711 VanDerWaalsContact O-CG 3.28Å; F701-R711 WeakPolarHBondContact O-CG 3.09Å |
| 702 | L | 89.9 | Confident | 87.6 | Confident | 9 Ų | 9 | 36.4 Ų | 36.4 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -86.5 | -21.3 | 178.4 | -57.9 | -176.8 | 0 | 0 | 0 | 113.9 | I699 K700 R711 L715 I718 A751 V752 F755 | I699-L702 WeakPolarHBondContact O-CB 3.49Å; I699-L702 PolarHBondContact O-N 3.3Å; K700-L702 VanDerWaalsContact C-N 3.33Å; L702-R711 PolarHBondContact O-NE 3.28Å; L702-R711 PolarHBondContact O-NH2 3.07Å; L702-L715 HydrophobicContact CD1-CD2 4.37Å; L702-L715 HydrophobicContact CD2-CD2 3.63Å; L702-L715 HydrophobicContact CD2-CG 3.7Å; L702-I718 HydrophobicContact CD1-CD1 3.93Å; L702-I718 HydrophobicContact CD2-CD1 4.31Å; L702-I718 HydrophobicContact CG-CD1 4.37Å; L702-A751 HydrophobicContact CD1-CB 4.15Å; L702-V752 HydrophobicContact CD1-CG2 4.42Å; L702-F755 HydrophobicContact CB-CD2 4.08Å; L702-F755 HydrophobicContact CD2-CD2 4.44Å |
| 703 | D | 86.3 | Confident | 87.6 | Confident | 68 Ų | 68 | 34.2 Ų | 34.2 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -47.6 | 147.2 | 179.2 | -56.3 | -24.4 | 0 | 0 | 0 | 112.6 | K700 D705 K706 R711 | K700-D703 WeakPolarHBondContact CG-OD2 3.34Å; K700-D703 VanDerWaalsContact O-OD2 3.14Å; D703-D705 VanDerWaalsContact C-N 3.29Å; D703-D705 WeakPolarHBondContact CB-OD1 3.41Å; D703-D705 PolarHBondContact O-N 3.12Å; D703-K706 HydrophobicContact CB-CG 4.1Å; D703-K706 WeakPolarHBondContact O-CB 3.41Å; D703-K706 PolarHBondContact O-N 3.05Å; D703-K706 IonicContact OD2-NZ 3.22Å; D703-K706 PolarHBondContact OD2-NZ 2.93Å; D703-R711 PolarHBondContact O-NE 3.27Å |
| 704 | S | 80.7 | Confident | 87.8 | Confident | 76 Ų | 76 | 30.4 Ų | 30.4 | 53% | 0.531 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -5.5 | -173.6 | 54.5 | 0 | 0 | 0 | 0 | 115.8 | R644 | R644-S704 PolarHBondContact NH1-O 3.33Š|
| 705 | D | 80.5 | Confident | 87.9 | Confident | 82 Ų | 82 | 30.4 Ų | 30.4 | 44% | 0.439 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -14.1 | 168.8 | 69.2 | -39.6 | 0 | 0 | 0 | 113.1 | D703 | D703-D705 VanDerWaalsContact C-N 3.29Å; D703-D705 WeakPolarHBondContact CB-OD1 3.41Å; D703-D705 PolarHBondContact O-N 3.12Å |
| 706 | K | 84 | Confident | 88 | Confident | 10 Ų | 10 | 30.3 Ų | 30.3 | 4% | 0.043 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -81.2 | 161.7 | -179.4 | -51.5 | -55.5 | -177.1 | -68.4 | 0 | 111.8 | K700 D703 R711 | K700-K706 WeakPolarHBondContact O-CE 3.31Å; K700-K706 PolarHBondContact O-NZ 3.09Å; D703-K706 HydrophobicContact CB-CG 4.1Å; D703-K706 WeakPolarHBondContact O-CB 3.41Å; D703-K706 PolarHBondContact O-N 3.05Å; D703-K706 IonicContact OD2-NZ 3.22Å; D703-K706 PolarHBondContact OD2-NZ 2.93Å; K706-R711 HydrophobicContact CB-CG 4.03Å |
| 707 | L | 84.8 | Confident | 88.2 | Confident | 57 Ų | 57 | 27.8 Ų | 27.8 | 30% | 0.298 | 15% | 0.146 | S | C | . | . | trans | -74.6 | 141.8 | 178.2 | -57.4 | 175.3 | 0 | 0 | 0 | 110.6 | P664 W709 Q710 R711 | P664-L707 HydrophobicContact CG-CD1 3.62Å; L707-W709 VanDerWaalsContact C-N 3.27Å; L707-W709 HydrophobicContact CD1-CZ2 3.87Å; L707-W709 PolarHBondContact O-N 2.77Å; L707-W709 VanDerWaalsContact O-N 3.16Å; L707-Q710 HydrophobicContact CB-CG 4.17Å; L707-Q710 WeakPolarHBondContact O-CA 3.29Å; L707-Q710 VanDerWaalsContact O-CB 3.32Å; L707-Q710 WeakPolarHBondContact O-CB 3.15Å; L707-Q710 PolarHBondContact O-N 2.65Å; L707-R711 PolarHBondContact O-N 3.03Å | ||
| 708 | D | 85.6 | Confident | 88.5 | Confident | 67 Ų | 67 | 26.2 Ų | 26.2 | 36% | 0.358 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -57.6 | -37.3 | -171.9 | -62.9 | -54.5 | 0 | 0 | 0 | 113.7 | Q710 R711 A712 V820 F825 | D708-Q710 VanDerWaalsContact C-N 3.32Å; D708-Q710 PolarHBondContact O-N 3.31Å; D708-R711 PolarHBondContact O-N 2.94Å; D708-R711 IonicContact OD1-NH1 2.85Å; D708-A712 WeakPolarHBondContact O-CB 3.43Å; D708-A712 PolarHBondContact O-N 2.97Å; D708-V820 HydrophobicContact CB-CB 4.23Å; D708-V820 HydrophobicContact CB-CG2 4.02Å; D708-F825 HydrophobicContact CB-CE2 4.31Å; D708-F825 HydrophobicContact CB-CZ 3.7Å; D708-F825 WeakPolarHBondContact O-CE1 3.35Å; D708-F825 WeakPolarHBondContact O-CZ 3.26Å |
| 709 | W | 87 | Confident | 88.6 | Confident | 23 Ų | 23 | 27.2 Ų | 27.2 | 9% | 0.087 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.7 | -23.7 | 175.9 | 63.5 | -97.7 | 0 | 0 | 0 | 113.3 | P664 F666 T669 L707 L713 Y808 P817 V820 | P664-W709 HydrophobicContact CB-CH2 4.4Å; P664-W709 HydrophobicContact CB-CZ2 4.4Å; P664-W709 HydrophobicContact CG-CZ2 4.24Å; F666-W709 HydrophobicContact CB-CH2 4.32Å; F666-W709 HydrophobicContact CB-CZ3 4.4Å; F666-W709 AromaticContact CD2-CD2 4Å; F666-W709 HydrophobicContact CD2-CD2 4Å; F666-W709 AromaticContact CD2-CE3 3.52Å; F666-W709 HydrophobicContact CD2-CE3 3.52Å; F666-W709 HydrophobicContact CD2-CH2 4.47Å; F666-W709 AromaticContact CD2-CZ3 3.78Å; F666-W709 HydrophobicContact CD2-CZ3 3.78Å; F666-W709 HydrophobicContact CE2-CE3 4.13Å; T669-W709 HydrophobicContact CG2-CH2 4.34Å; T669-W709 HydrophobicContact CG2-CZ3 3.77Å; L707-W709 VanDerWaalsContact C-N 3.27Å; L707-W709 HydrophobicContact CD1-CZ2 3.87Å; L707-W709 PolarHBondContact O-N 2.77Å; L707-W709 VanDerWaalsContact O-N 3.16Å; W709-L713 HydrophobicContact CE3-CD1 3.92Å; W709-L713 HydrophobicContact CZ3-CD1 4.15Å; W709-L713 WeakPolarHBondContact O-CB 3.29Å; W709-L713 VanDerWaalsContact O-CG 3.3Å; W709-L713 WeakPolarHBondContact O-CG 3.36Å; W709-L713 PolarHBondContact O-N 2.87Å; W709-L713 VanDerWaalsContact O-N 3.11Å; W709-Y808 HydrophobicContact CB-CE1 4.4Å; W709-P817 HydrophobicContact CB-CB 3.97Å; W709-P817 HydrophobicContact CD2-CB 3.95Å; W709-P817 HydrophobicContact CD2-CG 4.31Å; W709-P817 HydrophobicContact CG-CB 3.56Å; W709-P817 HydrophobicContact CG-CG 4.07Å; W709-V820 HydrophobicContact CB-CG2 4.12Å |
| 710 | Q | 89 | Confident | 88.7 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -75.6 | -42.7 | 171.3 | -63.7 | 177.1 | -55.5 | 0 | 0 | 110.5 | N635 F701 L707 D708 A712 L713 S714 | N635-Q710 PolarHBondContact O-NE2 3.2Å; F701-Q710 HydrophobicContact CD1-CB 3.92Å; F701-Q710 HydrophobicContact CE1-CB 4.27Å; F701-Q710 HydrophobicContact CE1-CG 4.45Å; L707-Q710 HydrophobicContact CB-CG 4.17Å; L707-Q710 WeakPolarHBondContact O-CA 3.29Å; L707-Q710 VanDerWaalsContact O-CB 3.32Å; L707-Q710 WeakPolarHBondContact O-CB 3.15Å; L707-Q710 PolarHBondContact O-N 2.65Å; D708-Q710 VanDerWaalsContact C-N 3.32Å; D708-Q710 PolarHBondContact O-N 3.31Å; Q710-A712 VanDerWaalsContact C-N 3.34Å; Q710-A712 PolarHBondContact O-N 3.46Å; Q710-L713 PolarHBondContact O-N 2.91Å; Q710-S714 PolarHBondContact O-N 3.02Å |
| 711 | R | 90.4 | Very high | 88.9 | Confident | 6 Ų | 6 | 23.3 Ų | 23.3 | 2% | 0.023 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.6 | -47.6 | 173.7 | -60.2 | 170.9 | 87.4 | -153.4 | 1.3 | 110.2 | F701 L702 D703 K706 L707 D708 S714 L715 F755 F825 | F701-R711 WeakPolarHBondContact O-CA 3.43Å; F701-R711 VanDerWaalsContact O-CG 3.28Å; F701-R711 WeakPolarHBondContact O-CG 3.09Å; L702-R711 PolarHBondContact O-NE 3.28Å; L702-R711 PolarHBondContact O-NH2 3.07Å; D703-R711 PolarHBondContact O-NE 3.27Å; K706-R711 HydrophobicContact CB-CG 4.03Å; L707-R711 PolarHBondContact O-N 3.03Å; D708-R711 PolarHBondContact O-N 2.94Å; D708-R711 IonicContact OD1-NH1 2.85Å; R711-S714 PolarHBondContact O-N 2.78Å; R711-L715 WeakPolarHBondContact O-CG 3.47Å; R711-L715 PolarHBondContact O-N 2.91Å; R711-L715 VanDerWaalsContact O-N 3.11Å; R711-F755 HydrophobicContact CB-CE2 4.32Å; R711-F825 HydrophobicContact CB-CE1 3.87Å; R711-F825 HydrophobicContact CB-CZ 4.27Å |
| 712 | A | 89.5 | Confident | 89.1 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D708 Q710 S714 L715 E716 V820 Y824 F825 | D708-A712 WeakPolarHBondContact O-CB 3.43Å; D708-A712 PolarHBondContact O-N 2.97Å; Q710-A712 VanDerWaalsContact C-N 3.34Å; Q710-A712 PolarHBondContact O-N 3.46Å; A712-S714 VanDerWaalsContact C-N 3.28Å; A712-S714 PolarHBondContact O-N 3.37Å; A712-L715 PolarHBondContact O-N 3.34Å; A712-E716 WeakPolarHBondContact O-CG 3.48Å; A712-E716 PolarHBondContact O-N 2.91Å; A712-E716 VanDerWaalsContact O-N 3.08Å; A712-V820 HydrophobicContact CB-CG1 4.4Å; A712-V820 HydrophobicContact CB-CG2 4.29Å; A712-Y824 HydrophobicContact CB-CD1 4.38Å; A712-Y824 HydrophobicContact CB-CE1 4.33Å; A712-F825 HydrophobicContact CB-CD1 4.47Å; A712-F825 HydrophobicContact CB-CE1 3.99Å |
| 713 | L | 90.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.6 | -36.5 | 175.9 | -81 | 172.7 | 0 | 0 | 0 | 112.7 | F666 T669 V670 M673 W709 Q710 V717 M809 | F666-L713 HydrophobicContact CE2-CD1 4.21Å; T669-L713 HydrophobicContact CG2-CD1 4.31Å; V670-L713 HydrophobicContact CG2-CD1 3.84Å; V670-L713 HydrophobicContact CG2-CD2 4.23Å; M673-L713 HydrophobicContact CE-CB 4.46Å; M673-L713 HydrophobicContact CG-CB 4.27Å; W709-L713 HydrophobicContact CE3-CD1 3.92Å; W709-L713 HydrophobicContact CZ3-CD1 4.15Å; W709-L713 WeakPolarHBondContact O-CB 3.29Å; W709-L713 VanDerWaalsContact O-CG 3.3Å; W709-L713 WeakPolarHBondContact O-CG 3.36Å; W709-L713 PolarHBondContact O-N 2.87Å; W709-L713 VanDerWaalsContact O-N 3.11Å; Q710-L713 PolarHBondContact O-N 2.91Å; L713-V717 WeakPolarHBondContact O-CG2 3.33Å; L713-V717 PolarHBondContact O-N 3.44Å; L713-M809 HydrophobicContact CD2-CB 4.37Å; L713-M809 HydrophobicContact CD2-CG 3.88Å |
| 714 | S | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.9 | -49.1 | 176.5 | -169.6 | 0 | 0 | 0 | 0 | 111.3 | L698 Q710 R711 A712 E716 V717 I718 | L698-S714 VanDerWaalsContact C-OG 3.31Å; L698-S714 WeakPolarHBondContact CA-OG 3.31Å; L698-S714 WeakPolarHBondContact CD2-OG 3.4Å; L698-S714 PolarHBondContact O-OG 3.23Å; Q710-S714 PolarHBondContact O-N 3.02Å; R711-S714 PolarHBondContact O-N 2.78Å; A712-S714 VanDerWaalsContact C-N 3.28Å; A712-S714 PolarHBondContact O-N 3.37Å; S714-E716 VanDerWaalsContact C-N 3.3Å; S714-E716 PolarHBondContact O-N 2.99Å; S714-V717 PolarHBondContact O-N 3.43Å; S714-I718 VanDerWaalsContact O-CG1 3.28Å; S714-I718 WeakPolarHBondContact O-CG1 3.29Å; S714-I718 PolarHBondContact O-N 3.5Å |
| 715 | L | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -55.7 | -42.2 | 176.4 | -66.8 | 168.1 | 0 | 0 | 0 | 112.3 | L702 R711 A712 V717 I718 E719 F755 F825 V828 I832 | L702-L715 HydrophobicContact CD1-CD2 4.37Å; L702-L715 HydrophobicContact CD2-CD2 3.63Å; L702-L715 HydrophobicContact CD2-CG 3.7Å; R711-L715 WeakPolarHBondContact O-CG 3.47Å; R711-L715 PolarHBondContact O-N 2.91Å; R711-L715 VanDerWaalsContact O-N 3.11Å; A712-L715 PolarHBondContact O-N 3.34Å; L715-V717 VanDerWaalsContact C-N 3.28Å; L715-V717 PolarHBondContact O-N 3.21Å; L715-I718 PolarHBondContact O-N 3.02Å; L715-E719 WeakPolarHBondContact O-CB 3.07Å; L715-E719 PolarHBondContact O-N 3.47Å; L715-F755 HydrophobicContact CD1-CD1 4.24Å; L715-F755 HydrophobicContact CD1-CE1 3.57Å; L715-F755 HydrophobicContact CD1-CE2 4.37Å; L715-F755 HydrophobicContact CD1-CZ 3.67Å; L715-F755 HydrophobicContact CD2-CD1 4.32Å; L715-F755 HydrophobicContact CD2-CE1 4.47Å; L715-F825 HydrophobicContact CD1-CD1 4.02Å; L715-V828 HydrophobicContact CB-CB 4.15Å; L715-V828 HydrophobicContact CB-CG1 3.65Å; L715-I832 HydrophobicContact CB-CD1 4.15Å; L715-I832 HydrophobicContact CD2-CD1 3.74Å |
| 716 | E | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.5 | -27 | 177.3 | -70.9 | 176.5 | -169.9 | 0 | 0 | 113.8 | A712 S714 Y808 M809 Y824 | A712-E716 WeakPolarHBondContact O-CG 3.48Å; A712-E716 PolarHBondContact O-N 2.91Å; A712-E716 VanDerWaalsContact O-N 3.08Å; S714-E716 VanDerWaalsContact C-N 3.3Å; S714-E716 PolarHBondContact O-N 2.99Å; E716-Y808 VanDerWaalsContact CD-N 3.32Å; E716-Y808 WeakPolarHBondContact OE1-CB 3.39Å; E716-Y808 PolarHBondContact OE1-N 2.89Å; E716-Y808 PolarHBondContact OE2-N 3.39Å; E716-M809 HydrophobicContact CB-CE 3.52Å; E716-M809 WeakPolarHBondContact O-CE 3.22Å; E716-M809 PolarHBondContact OE2-N 3.3Å; E716-Y824 WeakPolarHBondContact OE1-CE1 3.45Å; E716-Y824 PolarHBondContact OE1-OH 3.38Å |
| 717 | V | 93 | Very high | 90.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -79.8 | -42.5 | 172.8 | 178.2 | 0 | 0 | 0 | 0 | 110.2 | M673 V676 N677 L698 L713 S714 L715 E719 K720 V721 M809 | M673-V717 HydrophobicContact CB-CG2 4.03Å; M673-V717 HydrophobicContact SD-CG2 4.32Å; V676-V717 HydrophobicContact CG1-CG1 4.41Å; N677-V717 HydrophobicContact CB-CG1 4.29Å; L698-V717 HydrophobicContact CD1-CB 4.28Å; L698-V717 HydrophobicContact CD1-CG1 3.63Å; L698-V717 HydrophobicContact CD2-CB 3.93Å; L698-V717 HydrophobicContact CD2-CG1 4.05Å; L698-V717 HydrophobicContact CD2-CG2 4.38Å; L713-V717 WeakPolarHBondContact O-CG2 3.33Å; L713-V717 PolarHBondContact O-N 3.44Å; S714-V717 PolarHBondContact O-N 3.43Å; L715-V717 VanDerWaalsContact C-N 3.28Å; L715-V717 PolarHBondContact O-N 3.21Å; V717-E719 VanDerWaalsContact C-N 3.32Å; V717-E719 PolarHBondContact O-N 3.21Å; V717-K720 PolarHBondContact O-N 3.4Å; V717-K720 VanDerWaalsContact O-N 3.17Å; V717-V721 HydrophobicContact CG1-CG2 4.47Å; V717-V721 WeakPolarHBondContact O-CG2 3.46Å; V717-V721 PolarHBondContact O-N 3.29Å; V717-M809 HydrophobicContact CB-CE 4.34Å; V717-M809 HydrophobicContact CG2-CE 3.58Å; V717-M809 HydrophobicContact CG2-SD 3.84Å |
| 718 | I | 93.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.7 | -43.5 | 177.8 | -65 | 170.5 | 0 | 0 | 0 | 110.8 | L698 L702 S714 L715 K720 V721 V722 L748 V752 I832 | L698-I718 HydrophobicContact CB-CD1 4.35Å; L698-I718 HydrophobicContact CB-CG1 4.29Å; L702-I718 HydrophobicContact CD1-CD1 3.93Å; L702-I718 HydrophobicContact CD2-CD1 4.31Å; L702-I718 HydrophobicContact CG-CD1 4.37Å; S714-I718 VanDerWaalsContact O-CG1 3.28Å; S714-I718 WeakPolarHBondContact O-CG1 3.29Å; S714-I718 PolarHBondContact O-N 3.5Å; L715-I718 PolarHBondContact O-N 3.02Å; I718-K720 VanDerWaalsContact C-N 3.34Å; I718-K720 PolarHBondContact O-N 2.93Å; I718-V721 PolarHBondContact O-N 3.47Å; I718-V722 WeakPolarHBondContact O-CG2 3.4Å; I718-V722 PolarHBondContact O-N 2.85Å; I718-L748 HydrophobicContact CB-CD1 4.47Å; I718-L748 HydrophobicContact CD1-CD1 3.74Å; I718-L748 HydrophobicContact CG1-CD1 3.82Å; I718-L748 HydrophobicContact CG2-CD1 3.86Å; I718-L748 HydrophobicContact CG2-CD2 4.29Å; I718-L748 HydrophobicContact CG2-CG 4.17Å; I718-V752 HydrophobicContact CG2-CG2 4Å; I718-I832 HydrophobicContact CB-CD1 4.41Å; I718-I832 HydrophobicContact CG2-CD1 4.13Å; I718-I832 HydrophobicContact CG2-CG1 4.43Å; I718-I832 HydrophobicContact CG2-CG2 4.42Å |
| 719 | E | 93.6 | Very high | 90.6 | Very high | 23 Ų | 23 | 18.3 Ų | 18.3 | 11% | 0.107 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -53.4 | -46.9 | 173.4 | -175.1 | -143.4 | 140 | 0 | 0 | 112.3 | L715 V717 V722 S723 K807 V828 D831 I832 | L715-E719 WeakPolarHBondContact O-CB 3.07Å; L715-E719 PolarHBondContact O-N 3.47Å; V717-E719 VanDerWaalsContact C-N 3.32Å; V717-E719 PolarHBondContact O-N 3.21Å; E719-V722 WeakPolarHBondContact O-CG2 3.48Å; E719-S723 VanDerWaalsContact O-CB 3.29Å; E719-S723 WeakPolarHBondContact O-CB 3.24Å; E719-S723 PolarHBondContact O-N 3.44Å; E719-S723 PolarHBondContact O-OG 3.08Å; E719-K807 IonicContact OE1-NZ 2.71Å; E719-K807 PolarHBondContact OE1-NZ 2.96Å; E719-K807 IonicContact OE2-NZ 3.04Å; E719-K807 PolarHBondContact OE2-NZ 3.1Å; E719-V828 HydrophobicContact CB-CG1 4.28Å; E719-D831 HydrophobicContact CG-CB 4.28Å; E719-I832 HydrophobicContact CB-CG1 3.71Å; E719-I832 HydrophobicContact CG-CG1 4.28Å |
| 720 | K | 91.9 | Very high | 90.7 | Very high | 63 Ų | 63 | 19.6 Ų | 19.6 | 27% | 0.274 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -65.8 | -44.7 | 177.3 | -70 | 177.8 | -176.9 | 174.8 | 0 | 111.3 | N677 H681 V717 I718 V722 S723 E724 M809 | N677-K720 VanDerWaalsContact OD1-CB 3.32Å; N677-K720 WeakPolarHBondContact OD1-CB 3.35Å; N677-K720 WeakPolarHBondContact OD1-CD 3.23Å; H681-K720 PolarHBondContact NE2-O 3.26Å; V717-K720 PolarHBondContact O-N 3.4Å; V717-K720 VanDerWaalsContact O-N 3.17Å; I718-K720 VanDerWaalsContact C-N 3.34Å; I718-K720 PolarHBondContact O-N 2.93Å; K720-V722 VanDerWaalsContact C-N 3.34Å; K720-V722 PolarHBondContact O-N 3.28Å; K720-S723 WeakPolarHBondContact O-CB 3.47Å; K720-S723 PolarHBondContact O-N 3.45Å; K720-S723 VanDerWaalsContact O-N 3.09Å; K720-E724 PolarHBondContact O-N 2.69Å; K720-M809 HydrophobicContact CD-CE 3.94Å |
| 721 | V | 91.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.6 | -42.9 | 178 | 169.1 | 0 | 0 | 0 | 0 | 112.3 | L695 V717 I718 L727 F731 | L695-V721 HydrophobicContact CD2-CG1 4.32Å; V717-V721 HydrophobicContact CG1-CG2 4.47Å; V717-V721 WeakPolarHBondContact O-CG2 3.46Å; V717-V721 PolarHBondContact O-N 3.29Å; I718-V721 PolarHBondContact O-N 3.47Å; V721-L727 HydrophobicContact CB-CD2 4.44Å; V721-L727 HydrophobicContact CG1-CD2 4.25Å; V721-L727 HydrophobicContact CG2-CD2 4.29Å; V721-F731 HydrophobicContact CG1-CD2 4.19Å; V721-F731 HydrophobicContact CG1-CE2 3.86Å |
| 722 | V | 92.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -80 | -17.2 | 177.6 | -58.8 | 0 | 0 | 0 | 0 | 113.8 | I718 E719 K720 E724 L728 M749 I832 A835 T836 S839 | I718-V722 WeakPolarHBondContact O-CG2 3.4Å; I718-V722 PolarHBondContact O-N 2.85Å; E719-V722 WeakPolarHBondContact O-CG2 3.48Å; K720-V722 VanDerWaalsContact C-N 3.34Å; K720-V722 PolarHBondContact O-N 3.28Å; V722-E724 VanDerWaalsContact C-N 3.33Å; V722-L728 HydrophobicContact CG1-CD1 4.39Å; V722-M749 HydrophobicContact CG1-CE 3.96Å; V722-M749 HydrophobicContact CG1-SD 4.43Å; V722-I832 HydrophobicContact CG2-CG2 4.02Å; V722-A835 HydrophobicContact CG2-CB 3.77Å; V722-T836 WeakPolarHBondContact CB-OG1 3.46Å; V722-S839 WeakPolarHBondContact O-CB 3.3Å; V722-S839 PolarHBondContact O-OG 2.99Å |
| 723 | S | 92 | Very high | 90.5 | Very high | 40 Ų | 40 | 23 Ų | 23 | 28% | 0.28 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -76.2 | -16.8 | 178.2 | -67 | 0 | 0 | 0 | 0 | 114.1 | E719 K720 P725 A835 | E719-S723 VanDerWaalsContact O-CB 3.29Å; E719-S723 WeakPolarHBondContact O-CB 3.24Å; E719-S723 PolarHBondContact O-N 3.44Å; E719-S723 PolarHBondContact O-OG 3.08Å; K720-S723 WeakPolarHBondContact O-CB 3.47Å; K720-S723 PolarHBondContact O-N 3.45Å; K720-S723 VanDerWaalsContact O-N 3.09Å; S723-P725 WeakPolarHBondContact O-CD 3.43Å; S723-A835 WeakPolarHBondContact OG-CB 3.21Å |
| 724 | E | 90.7 | Very high | 90.3 | Very high | 92 Ų | 92 | 23.5 Ų | 23.5 | 43% | 0.43 | 13% | 0.129 | S | C | . | . | trans | -105.4 | 102.1 | -176.4 | -168.7 | 60.2 | -144.3 | 0 | 0 | 110.8 | K720 V722 V726 L727 L728 | K720-E724 PolarHBondContact O-N 2.69Å; V722-E724 VanDerWaalsContact C-N 3.33Å; E724-V726 VanDerWaalsContact C-N 3.35Å; E724-V726 PolarHBondContact O-N 2.71Å; E724-L727 HydrophobicContact CB-CB 4.07Å; E724-L727 HydrophobicContact CG-CB 4.1Å; E724-L727 WeakPolarHBondContact O-CB 3.38Å; E724-L727 PolarHBondContact O-N 3.22Å; E724-L727 VanDerWaalsContact O-N 3.12Å; E724-L728 PolarHBondContact O-N 2.92Å | ||
| 725 | P | 88.8 | Confident | 90.1 | Very high | 7 Ų | 7 | 23.6 Ų | 23.6 | 5% | 0.045 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.5 | -38 | -167.2 | -22.1 | 32.1 | 0 | 0 | 0 | 113.9 | S723 L727 L728 Q729 R842 I843 | S723-P725 WeakPolarHBondContact O-CD 3.43Å; P725-L727 VanDerWaalsContact C-N 3.3Å; P725-L727 PolarHBondContact O-N 3.17Å; P725-L728 PolarHBondContact O-N 3.04Å; P725-Q729 WeakPolarHBondContact O-CG 3.34Å; P725-Q729 PolarHBondContact O-N 2.94Å; P725-R842 HydrophobicContact CB-CB 4.39Å; P725-R842 HydrophobicContact CG-CB 4.07Å; P725-I843 HydrophobicContact CB-CD1 4.37Å; P725-I843 HydrophobicContact CB-CG1 3.95Å |
| 726 | V | 86.8 | Confident | 89.9 | Confident | 78 Ų | 78 | 23.6 Ų | 23.6 | 47% | 0.473 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -66.6 | -33.7 | -179.8 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | E724 T730 | E724-V726 VanDerWaalsContact C-N 3.35Å; E724-V726 PolarHBondContact O-N 2.71Å; V726-T730 WeakPolarHBondContact O-CB 3.4Å; V726-T730 PolarHBondContact O-N 3.37Å; V726-T730 PolarHBondContact O-OG1 3.12Å |
| 727 | L | 89.8 | Confident | 89.7 | Confident | 8 Ų | 8 | 27.2 Ų | 27.2 | 4% | 0.042 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.1 | -43.3 | 176.3 | -176.6 | 59.6 | 0 | 0 | 0 | 110.8 | Q680 S684 V721 E724 P725 T730 F731 | Q680-L727 HydrophobicContact CB-CD2 4.44Å; Q680-L727 WeakPolarHBondContact O-CD1 3.26Å; S684-L727 WeakPolarHBondContact OG-CD1 3.31Å; V721-L727 HydrophobicContact CB-CD2 4.44Å; V721-L727 HydrophobicContact CG1-CD2 4.25Å; V721-L727 HydrophobicContact CG2-CD2 4.29Å; E724-L727 HydrophobicContact CB-CB 4.07Å; E724-L727 HydrophobicContact CG-CB 4.1Å; E724-L727 WeakPolarHBondContact O-CB 3.38Å; E724-L727 PolarHBondContact O-N 3.22Å; E724-L727 VanDerWaalsContact O-N 3.12Å; P725-L727 VanDerWaalsContact C-N 3.3Å; P725-L727 PolarHBondContact O-N 3.17Å; L727-T730 WeakPolarHBondContact O-CB 3.24Å; L727-T730 PolarHBondContact O-N 3.04Å; L727-F731 HydrophobicContact CD1-CD1 4.45Å; L727-F731 HydrophobicContact CD1-CD2 4.22Å; L727-F731 HydrophobicContact CD1-CE1 3.93Å; L727-F731 HydrophobicContact CD1-CE2 3.65Å; L727-F731 HydrophobicContact CD1-CZ 3.49Å; L727-F731 VanDerWaalsContact CD1-CZ 3.49Å; L727-F731 HydrophobicContact CD2-CE2 4.05Å; L727-F731 HydrophobicContact CD2-CZ 4.46Å; L727-F731 HydrophobicContact CG-CD2 4.06Å; L727-F731 HydrophobicContact CG-CE2 3.63Å; L727-F731 HydrophobicContact CG-CZ 4.03Å; L727-F731 PolarHBondContact O-N 3.22Å |
| 728 | L | 88.6 | Confident | 89.2 | Confident | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.8 | -39.6 | 178.1 | -159.5 | 69.8 | 0 | 0 | 0 | 112.1 | V722 E724 P725 C732 I745 M857 | V722-L728 HydrophobicContact CG1-CD1 4.39Å; E724-L728 PolarHBondContact O-N 2.92Å; P725-L728 PolarHBondContact O-N 3.04Å; L728-C732 PolarHBondContact O-N 3.02Å; L728-I745 HydrophobicContact CD1-CD1 3.96Å; L728-I745 HydrophobicContact CD1-CG1 4.22Å; L728-I745 HydrophobicContact CD1-CG2 4.41Å; L728-I745 HydrophobicContact CG-CD1 4.21Å; L728-I745 WeakPolarHBondContact O-CD1 3.45Å; L728-M857 HydrophobicContact CB-CE 3.92Å; L728-M857 HydrophobicContact CD2-CE 3.74Å; L728-M857 HydrophobicContact CG-CE 3.51Å; L728-M857 WeakPolarHBondContact O-CE 3.28Å |
| 729 | Q | 88.3 | Confident | 88.5 | Confident | 35 Ų | 35 | 38 Ų | 38 | 16% | 0.164 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.7 | -50.2 | 168.5 | -72.1 | 176 | 1.6 | 0 | 0 | 111.2 | P725 F731 C732 V733 I843 L853 M857 | P725-Q729 WeakPolarHBondContact O-CG 3.34Å; P725-Q729 PolarHBondContact O-N 2.94Å; Q729-F731 VanDerWaalsContact C-N 3.34Å; Q729-F731 PolarHBondContact O-N 2.94Å; Q729-C732 PolarHBondContact O-N 3.43Å; Q729-C732 VanDerWaalsContact O-N 3.15Å; Q729-V733 WeakPolarHBondContact O-CG2 3.38Å; Q729-V733 PolarHBondContact O-N 3.37Å; Q729-I843 HydrophobicContact CG-CD1 3.93Å; Q729-I843 HydrophobicContact CG-CG1 3.91Å; Q729-I843 HydrophobicContact CG-CG2 4.25Å; Q729-L853 HydrophobicContact CB-CD2 4.28Å; Q729-L853 HydrophobicContact CG-CD2 4.12Å; Q729-M857 HydrophobicContact CG-SD 4.34Å |
| 730 | T | 87.4 | Confident | 87.9 | Confident | 50 Ų | 50 | 42.4 Ų | 42.4 | 31% | 0.307 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.3 | -44.8 | -177.7 | -61 | 0 | 0 | 0 | 0 | 111.4 | V726 L727 A734 | V726-T730 WeakPolarHBondContact O-CB 3.4Å; V726-T730 PolarHBondContact O-N 3.37Å; V726-T730 PolarHBondContact O-OG1 3.12Å; L727-T730 WeakPolarHBondContact O-CB 3.24Å; L727-T730 PolarHBondContact O-N 3.04Å; T730-A734 WeakPolarHBondContact O-CB 3.47Å; T730-A734 PolarHBondContact O-N 3.41Å |
| 731 | F | 90 | Very high | 87.3 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.022 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.9 | -36.8 | 176.5 | -68.2 | -25.7 | 0 | 0 | 0 | 113.2 | Q680 C691 L695 V721 L727 Q729 A734 F735 I745 | Q680-F731 HydrophobicContact CB-CZ 4.13Å; Q680-F731 HydrophobicContact CG-CZ 4.19Å; C691-F731 HydrophobicContact CB-CE1 3.92Å; C691-F731 HydrophobicContact CB-CZ 4.24Å; L695-F731 HydrophobicContact CD1-CD1 4.44Å; L695-F731 HydrophobicContact CD1-CD2 3.93Å; L695-F731 HydrophobicContact CD1-CE1 4.24Å; L695-F731 HydrophobicContact CD1-CE2 3.72Å; L695-F731 HydrophobicContact CD1-CG 4.29Å; L695-F731 HydrophobicContact CD1-CZ 3.88Å; L695-F731 HydrophobicContact CD2-CE2 4.29Å; V721-F731 HydrophobicContact CG1-CD2 4.19Å; V721-F731 HydrophobicContact CG1-CE2 3.86Å; L727-F731 HydrophobicContact CD1-CD1 4.45Å; L727-F731 HydrophobicContact CD1-CD2 4.22Å; L727-F731 HydrophobicContact CD1-CE1 3.93Å; L727-F731 HydrophobicContact CD1-CE2 3.65Å; L727-F731 HydrophobicContact CD1-CZ 3.49Å; L727-F731 VanDerWaalsContact CD1-CZ 3.49Å; L727-F731 HydrophobicContact CD2-CE2 4.05Å; L727-F731 HydrophobicContact CD2-CZ 4.46Å; L727-F731 HydrophobicContact CG-CD2 4.06Å; L727-F731 HydrophobicContact CG-CE2 3.63Å; L727-F731 HydrophobicContact CG-CZ 4.03Å; L727-F731 PolarHBondContact O-N 3.22Å; Q729-F731 VanDerWaalsContact C-N 3.34Å; Q729-F731 PolarHBondContact O-N 2.94Å; F731-A734 PolarHBondContact O-N 3.31Å; F731-F735 HydrophobicContact CB-CD2 4.04Å; F731-F735 HydrophobicContact CB-CE2 4.12Å; F731-F735 HydrophobicContact CD1-CD2 4.37Å; F731-F735 AromaticContact CD1-CE2 3.59Å; F731-F735 HydrophobicContact CD1-CE2 3.59Å; F731-F735 HydrophobicContact CD1-CZ 4.46Å; F731-F735 HydrophobicContact CE1-CE2 4.27Å; F731-F735 HydrophobicContact CG-CD2 4.48Å; F731-F735 HydrophobicContact CG-CE2 4.06Å; F731-F735 VanDerWaalsContact O-CD2 3.22Å; F731-F735 WeakPolarHBondContact O-CD2 3.37Å; F731-F735 PolarHBondContact O-N 3.09Å; F731-I745 HydrophobicContact CB-CD1 4.27Å; F731-I745 HydrophobicContact CB-CG1 4.47Å |
| 732 | C | 88 | Confident | 86.7 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -63.9 | -45.2 | 176.4 | -167.9 | 0 | 0 | 0 | 0 | 112 | L728 Q729 A734 D736 M737 I745 L853 M857 | L728-C732 PolarHBondContact O-N 3.02Å; Q729-C732 PolarHBondContact O-N 3.43Å; Q729-C732 VanDerWaalsContact O-N 3.15Å; C732-A734 VanDerWaalsContact C-N 3.33Å; C732-D736 PolarHBondContact O-N 3.12Å; C732-D736 VanDerWaalsContact O-N 3.15Å; C732-M737 WeakPolarHBondContact O-CB 3.3Å; C732-M737 WeakPolarHBondContact O-CG 3.42Å; C732-M737 PolarHBondContact O-N 2.93Å; C732-I745 HydrophobicContact CB-CD1 3.65Å; C732-L853 HydrophobicContact CB-CD1 3.89Å; C732-M857 HydrophobicContact CB-CE 4.37Å; C732-M857 HydrophobicContact CB-CG 3.66Å; C732-M857 HydrophobicContact CB-SD 4.18Å; C732-M857 WeakPolarHBondContact SG-CG 3.41Å |
| 733 | V | 87.5 | Confident | 86.4 | Confident | 74 Ų | 74 | 44.4 Ų | 44.4 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | I | π-helix | trans | -65.8 | -36.6 | 175.3 | 178 | 0 | 0 | 0 | 0 | 111.3 | Q729 M737 L853 | Q729-V733 WeakPolarHBondContact O-CG2 3.38Å; Q729-V733 PolarHBondContact O-N 3.37Å; V733-M737 HydrophobicContact CB-SD 4.37Å; V733-M737 HydrophobicContact CG2-SD 3.87Å; V733-L853 HydrophobicContact CG2-CD1 3.81Å; V733-L853 HydrophobicContact CG2-CD2 4.28Å |
| 734 | A | 85.7 | Confident | 86.2 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -73.5 | -32.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | I688 T730 F731 C732 K738 | I688-A734 HydrophobicContact CG2-CB 4.12Å; T730-A734 WeakPolarHBondContact O-CB 3.47Å; T730-A734 PolarHBondContact O-N 3.41Å; F731-A734 PolarHBondContact O-N 3.31Å; C732-A734 VanDerWaalsContact C-N 3.33Å; A734-K738 VanDerWaalsContact O-CD 3.3Å; A734-K738 WeakPolarHBondContact O-CD 3.01Å; A734-K738 WeakPolarHBondContact O-CE 3.43Å; A734-K738 PolarHBondContact O-NZ 3.48Å |
| 735 | F | 88.7 | Confident | 86 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -128.6 | -67.6 | -171.9 | -46 | -64.2 | 0 | 0 | 0 | 113 | I688 E692 L695 F731 M737 K738 S741 V744 | I688-F735 HydrophobicContact CG2-CE1 3.61Å; I688-F735 HydrophobicContact CG2-CZ 3.95Å; I688-F735 VanDerWaalsContact O-CZ 3.31Å; I688-F735 WeakPolarHBondContact O-CZ 3.44Å; E692-F735 HydrophobicContact CB-CD1 4.42Å; E692-F735 HydrophobicContact CB-CE1 3.67Å; E692-F735 HydrophobicContact CB-CZ 3.89Å; E692-F735 HydrophobicContact CG-CD1 4.23Å; E692-F735 HydrophobicContact CG-CE1 3.97Å; E692-F735 HydrophobicContact CG-CZ 4.49Å; L695-F735 HydrophobicContact CD1-CE2 4.33Å; F731-F735 HydrophobicContact CB-CD2 4.04Å; F731-F735 HydrophobicContact CB-CE2 4.12Å; F731-F735 HydrophobicContact CD1-CD2 4.37Å; F731-F735 AromaticContact CD1-CE2 3.59Å; F731-F735 HydrophobicContact CD1-CE2 3.59Å; F731-F735 HydrophobicContact CD1-CZ 4.46Å; F731-F735 HydrophobicContact CE1-CE2 4.27Å; F731-F735 HydrophobicContact CG-CD2 4.48Å; F731-F735 HydrophobicContact CG-CE2 4.06Å; F731-F735 VanDerWaalsContact O-CD2 3.22Å; F731-F735 WeakPolarHBondContact O-CD2 3.37Å; F731-F735 PolarHBondContact O-N 3.09Å; F735-M737 VanDerWaalsContact C-N 3.27Å; F735-M737 PolarHBondContact O-N 3.39Å; F735-M737 VanDerWaalsContact O-N 3.16Å; F735-K738 PolarHBondContact O-N 2.86Å; F735-S741 PolarHBondContact O-OG 3.48Å; F735-V744 HydrophobicContact CB-CB 4.27Å; F735-V744 HydrophobicContact CB-CG2 3.77Å; F735-V744 HydrophobicContact CD1-CG2 4.29Å; F735-V744 HydrophobicContact CD2-CB 4.01Å; F735-V744 HydrophobicContact CD2-CG2 3.82Å; F735-V744 HydrophobicContact CE2-CG2 4.48Å; F735-V744 HydrophobicContact CG-CB 4.31Å; F735-V744 HydrophobicContact CG-CG2 3.71Å |
| 736 | D | 88.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -64.1 | -26.3 | -168 | -67.3 | 65.6 | 0 | 0 | 0 | 114.3 | C732 K743 V744 I745 E746 R856 | C732-D736 PolarHBondContact O-N 3.12Å; C732-D736 VanDerWaalsContact O-N 3.15Å; D736-K743 HydrophobicContact CB-CD 4.5Å; D736-K743 PolarHBondContact O-NZ 3.41Å; D736-K743 VanDerWaalsContact OD2-C 3.26Å; D736-K743 WeakPolarHBondContact OD2-CA 3.45Å; D736-V744 PolarHBondContact OD1-N 2.85Å; D736-I745 PolarHBondContact OD1-N 3.3Å; D736-I745 PolarHBondContact OD2-N 3.07Å; D736-E746 PolarHBondContact OD2-N 2.96Å; D736-R856 PolarHBondContact O-NE 3.37Å; D736-R856 PolarHBondContact O-NH2 3.07Å |
| 737 | M | 86.7 | Confident | 86.4 | Confident | 77 Ų | 77 | 41.7 Ų | 41.7 | 38% | 0.379 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -26 | 173.8 | -72.5 | -174.3 | 78.6 | 0 | 0 | 114.6 | C732 V733 F735 V852 L853 R856 | C732-M737 WeakPolarHBondContact O-CB 3.3Å; C732-M737 WeakPolarHBondContact O-CG 3.42Å; C732-M737 PolarHBondContact O-N 2.93Å; V733-M737 HydrophobicContact CB-SD 4.37Å; V733-M737 HydrophobicContact CG2-SD 3.87Å; F735-M737 VanDerWaalsContact C-N 3.27Å; F735-M737 PolarHBondContact O-N 3.39Å; F735-M737 VanDerWaalsContact O-N 3.16Å; M737-V852 HydrophobicContact CE-CG1 4.44Å; M737-L853 HydrophobicContact SD-CD1 3.81Å; M737-R856 HydrophobicContact CG-CB 4.34Å; M737-R856 HydrophobicContact CG-CG 3.94Å |
| 738 | K | 83.5 | Confident | 86.5 | Confident | 99 Ų | 99 | 41.5 Ų | 41.5 | 43% | 0.43 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -82.1 | 138.6 | -178.9 | -64.5 | 175.6 | -170.2 | 158.4 | 0 | 110.5 | A734 F735 S740 S741 K743 | A734-K738 VanDerWaalsContact O-CD 3.3Å; A734-K738 WeakPolarHBondContact O-CD 3.01Å; A734-K738 WeakPolarHBondContact O-CE 3.43Å; A734-K738 PolarHBondContact O-NZ 3.48Å; F735-K738 PolarHBondContact O-N 2.86Å; K738-S740 VanDerWaalsContact C-N 3.29Å; K738-S740 PolarHBondContact O-N 3.15Å; K738-S741 WeakPolarHBondContact CB-OG 3.43Å; K738-K743 PolarHBondContact O-NZ 3.3Å |
| 739 | S | 78 | Confident | 86.8 | Confident | 128 Ų | 128 | 41.6 Ų | 41.6 | 90% | 0.895 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -21.9 | -175.7 | 50.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 740 | S | 81 | Confident | 87 | Confident | 116 Ų | 116 | 43.1 Ų | 43.1 | 81% | 0.811 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | 13.3 | -167.8 | 67.9 | 0 | 0 | 0 | 0 | 115.8 | K738 | K738-S740 VanDerWaalsContact C-N 3.29Å; K738-S740 PolarHBondContact O-N 3.15Å |
| 741 | S | 80.2 | Confident | 87.3 | Confident | 31 Ų | 31 | 41.8 Ų | 41.8 | 22% | 0.217 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -119.4 | 164.6 | 176.1 | 50.9 | 0 | 0 | 0 | 0 | 111.4 | F735 K738 | F735-S741 PolarHBondContact O-OG 3.48Å; K738-S741 WeakPolarHBondContact CB-OG 3.43Å |
| 742 | A | 78.4 | Confident | 87.4 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 24% | 0.24 | 24% | 0.242 | C | C | . | . | trans | -54.7 | 155.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | V744 | A742-V744 VanDerWaalsContact C-N 3.32Å; A742-V744 HydrophobicContact CB-CG2 3.91Å; A742-V744 PolarHBondContact O-N 2.73Å | ||
| 743 | K | 87 | Confident | 87.7 | Confident | 47 Ų | 47 | 42.5 Ų | 42.5 | 20% | 0.204 | 25% | 0.246 | C | C | . | . | trans | -98.5 | 68.2 | 178.8 | -57.8 | -51.9 | 179.3 | -170.7 | 0 | 108.1 | D736 K738 I745 E746 E747 | D736-K743 HydrophobicContact CB-CD 4.5Å; D736-K743 PolarHBondContact O-NZ 3.41Å; D736-K743 VanDerWaalsContact OD2-C 3.26Å; D736-K743 WeakPolarHBondContact OD2-CA 3.45Å; K738-K743 PolarHBondContact O-NZ 3.3Å; K743-I745 VanDerWaalsContact C-N 3.27Å; K743-I745 PolarHBondContact O-N 3.23Å; K743-E746 HydrophobicContact CB-CB 3.71Å; K743-E746 HydrophobicContact CB-CG 4.4Å; K743-E746 CarbonylContact O-C 3.58Å; K743-E746 WeakPolarHBondContact O-CA 3.47Å; K743-E746 WeakPolarHBondContact O-CB 3.45Å; K743-E746 PolarHBondContact O-N 3.4Å; K743-E747 PolarHBondContact N-OE1 3.01Å; K743-E747 WeakPolarHBondContact O-CB 3.3Å; K743-E747 VanDerWaalsContact O-CG 3.31Å; K743-E747 WeakPolarHBondContact O-CG 3.4Å; K743-E747 PolarHBondContact O-N 2.98Å | ||
| 744 | V | 86.2 | Confident | 88 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.7 | -35.4 | -162.8 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | E692 L695 F735 D736 A742 L748 | E692-V744 HydrophobicContact CG-CG2 4.1Å; L695-V744 HydrophobicContact CB-CG1 3.55Å; L695-V744 HydrophobicContact CD1-CG1 3.57Å; L695-V744 HydrophobicContact CG-CG1 4.1Å; F735-V744 HydrophobicContact CB-CB 4.27Å; F735-V744 HydrophobicContact CB-CG2 3.77Å; F735-V744 HydrophobicContact CD1-CG2 4.29Å; F735-V744 HydrophobicContact CD2-CB 4.01Å; F735-V744 HydrophobicContact CD2-CG2 3.82Å; F735-V744 HydrophobicContact CE2-CG2 4.48Å; F735-V744 HydrophobicContact CG-CB 4.31Å; F735-V744 HydrophobicContact CG-CG2 3.71Å; D736-V744 PolarHBondContact OD1-N 2.85Å; A742-V744 VanDerWaalsContact C-N 3.32Å; A742-V744 HydrophobicContact CB-CG2 3.91Å; A742-V744 PolarHBondContact O-N 2.73Å; V744-L748 WeakPolarHBondContact O-CB 3.35Å; V744-L748 PolarHBondContact O-N 3.01Å |
| 745 | I | 88.1 | Confident | 88.4 | Confident | 7 Ų | 7 | 43.4 Ų | 43.4 | 4% | 0.036 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -74.7 | -41.1 | 175.4 | -61.5 | 175 | 0 | 0 | 0 | 111.1 | L728 F731 C732 D736 K743 L748 M749 A860 | L728-I745 HydrophobicContact CD1-CD1 3.96Å; L728-I745 HydrophobicContact CD1-CG1 4.22Å; L728-I745 HydrophobicContact CD1-CG2 4.41Å; L728-I745 HydrophobicContact CG-CD1 4.21Å; L728-I745 WeakPolarHBondContact O-CD1 3.45Å; F731-I745 HydrophobicContact CB-CD1 4.27Å; F731-I745 HydrophobicContact CB-CG1 4.47Å; C732-I745 HydrophobicContact CB-CD1 3.65Å; D736-I745 PolarHBondContact OD1-N 3.3Å; D736-I745 PolarHBondContact OD2-N 3.07Å; K743-I745 VanDerWaalsContact C-N 3.27Å; K743-I745 PolarHBondContact O-N 3.23Å; I745-L748 PolarHBondContact O-N 3.34Å; I745-M749 HydrophobicContact CG2-CG 4.39Å; I745-M749 WeakPolarHBondContact O-CB 3.23Å; I745-M749 WeakPolarHBondContact O-CG 3.21Å; I745-M749 PolarHBondContact O-N 2.92Å; I745-A860 HydrophobicContact CG2-CB 4.45Å |
| 746 | E | 91.2 | Very high | 88.5 | Confident | 68 Ų | 68 | 43.3 Ų | 43.3 | 32% | 0.318 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.9 | -51.2 | 176 | -173.5 | 172.7 | 165.5 | 0 | 0 | 111.6 | D736 K743 M749 N750 R856 A860 | D736-E746 PolarHBondContact OD2-N 2.96Å; K743-E746 HydrophobicContact CB-CB 3.71Å; K743-E746 HydrophobicContact CB-CG 4.4Å; K743-E746 CarbonylContact O-C 3.58Å; K743-E746 WeakPolarHBondContact O-CA 3.47Å; K743-E746 WeakPolarHBondContact O-CB 3.45Å; K743-E746 PolarHBondContact O-N 3.4Å; E746-M749 PolarHBondContact O-N 3.12Å; E746-N750 VanDerWaalsContact O-CB 3.27Å; E746-N750 WeakPolarHBondContact O-CB 3.26Å; E746-N750 VanDerWaalsContact O-CG 3.29Å; E746-N750 PolarHBondContact O-N 3.02Å; E746-N750 PolarHBondContact O-ND2 3.49Å; E746-R856 IonicContact OE2-NH2 2.69Å; E746-A860 WeakPolarHBondContact CA-O 3.5Å; E746-A860 HydrophobicContact CB-CB 4.05Å; E746-A860 WeakPolarHBondContact CG-O 3.46Å |
| 747 | E | 92 | Very high | 88.6 | Confident | 83 Ų | 83 | 46.5 Ų | 46.5 | 39% | 0.388 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 176.2 | -69.4 | 167.5 | -138.2 | 0 | 0 | 111.5 | I699 K743 A751 | I699-E747 HydrophobicContact CD1-CB 4.02Å; K743-E747 PolarHBondContact N-OE1 3.01Å; K743-E747 WeakPolarHBondContact O-CB 3.3Å; K743-E747 VanDerWaalsContact O-CG 3.31Å; K743-E747 WeakPolarHBondContact O-CG 3.4Å; K743-E747 PolarHBondContact O-N 2.98Å; E747-A751 VanDerWaalsContact O-CB 3.3Å; E747-A751 WeakPolarHBondContact O-CB 3.22Å; E747-A751 PolarHBondContact O-N 3.42Å |
| 748 | L | 92.4 | Very high | 88.8 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 179.1 | -179.3 | 64.8 | 0 | 0 | 0 | 112.5 | I699 I718 V744 I745 A751 V752 | I699-L748 HydrophobicContact CD1-CB 4.13Å; I699-L748 HydrophobicContact CD1-CD1 4.33Å; I699-L748 HydrophobicContact CG1-CB 4.44Å; I699-L748 HydrophobicContact CG1-CD1 3.81Å; I718-L748 HydrophobicContact CB-CD1 4.47Å; I718-L748 HydrophobicContact CD1-CD1 3.74Å; I718-L748 HydrophobicContact CG1-CD1 3.82Å; I718-L748 HydrophobicContact CG2-CD1 3.86Å; I718-L748 HydrophobicContact CG2-CD2 4.29Å; I718-L748 HydrophobicContact CG2-CG 4.17Å; V744-L748 WeakPolarHBondContact O-CB 3.35Å; V744-L748 PolarHBondContact O-N 3.01Å; I745-L748 PolarHBondContact O-N 3.34Å; L748-A751 PolarHBondContact O-N 3.37Å; L748-V752 WeakPolarHBondContact O-CG2 3.26Å; L748-V752 PolarHBondContact O-N 2.96Å; L748-V752 VanDerWaalsContact O-N 3.09Å |
| 749 | M | 93.3 | Very high | 88.9 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 3% | 0.034 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -74.5 | -36.4 | -178.5 | -66.9 | -79.2 | 83.4 | 0 | 0 | 111.9 | V722 I745 E746 A751 V752 N753 I832 T836 C861 A864 V865 | V722-M749 HydrophobicContact CG1-CE 3.96Å; V722-M749 HydrophobicContact CG1-SD 4.43Å; I745-M749 HydrophobicContact CG2-CG 4.39Å; I745-M749 WeakPolarHBondContact O-CB 3.23Å; I745-M749 WeakPolarHBondContact O-CG 3.21Å; I745-M749 PolarHBondContact O-N 2.92Å; E746-M749 PolarHBondContact O-N 3.12Å; M749-A751 VanDerWaalsContact C-N 3.33Å; M749-A751 PolarHBondContact O-N 3.11Å; M749-V752 HydrophobicContact CE-CB 4.24Å; M749-V752 HydrophobicContact CE-CG2 4.03Å; M749-V752 PolarHBondContact O-N 2.94Å; M749-N753 PolarHBondContact O-N 3.18Å; M749-I832 HydrophobicContact CE-CG2 3.74Å; M749-T836 HydrophobicContact SD-CG2 3.84Å; M749-T836 PolarHBondContact SD-OG1 3.07Å; M749-T836 VanDerWaalsContact SD-OG1 3.36Å; M749-C861 HydrophobicContact CB-CB 4.03Å; M749-C861 HydrophobicContact CG-CB 3.78Å; M749-A864 HydrophobicContact CB-CB 4.12Å; M749-A864 WeakPolarHBondContact O-CB 2.95Å; M749-V865 HydrophobicContact SD-CG2 4.06Å |
| 750 | N | 93.9 | Very high | 89.3 | Confident | 67 Ų | 67 | 33.8 Ų | 33.8 | 36% | 0.358 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.6 | -42.2 | 170 | -78.1 | -50.8 | 0 | 0 | 0 | 111.7 | E746 V752 N753 V754 | E746-N750 VanDerWaalsContact O-CB 3.27Å; E746-N750 WeakPolarHBondContact O-CB 3.26Å; E746-N750 VanDerWaalsContact O-CG 3.29Å; E746-N750 PolarHBondContact O-N 3.02Å; E746-N750 PolarHBondContact O-ND2 3.49Å; N750-V752 PolarHBondContact O-N 3.37Å; N750-N753 PolarHBondContact O-N 3.24Å; N750-V754 WeakPolarHBondContact O-CG2 3.43Å; N750-V754 PolarHBondContact O-N 3.44Å |
| 751 | A | 92.3 | Very high | 89.5 | Confident | 21 Ų | 21 | 31.5 Ų | 31.5 | 17% | 0.174 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.3 | -42.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I699 L702 E747 L748 M749 F755 | I699-A751 HydrophobicContact CG1-CB 4.43Å; I699-A751 HydrophobicContact CG2-CB 3.84Å; L702-A751 HydrophobicContact CD1-CB 4.15Å; E747-A751 VanDerWaalsContact O-CB 3.3Å; E747-A751 WeakPolarHBondContact O-CB 3.22Å; E747-A751 PolarHBondContact O-N 3.42Å; L748-A751 PolarHBondContact O-N 3.37Å; M749-A751 VanDerWaalsContact C-N 3.33Å; M749-A751 PolarHBondContact O-N 3.11Å; A751-F755 VanDerWaalsContact O-CB 3.22Å; A751-F755 WeakPolarHBondContact O-CB 3.48Å; A751-F755 PolarHBondContact O-N 2.88Å |
| 752 | V | 93.5 | Very high | 89.6 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.024 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65 | -38.2 | 174.5 | 173.1 | 0 | 0 | 0 | 0 | 112 | L702 I718 L748 M749 N750 F755 T756 I832 | L702-V752 HydrophobicContact CD1-CG2 4.42Å; I718-V752 HydrophobicContact CG2-CG2 4Å; L748-V752 WeakPolarHBondContact O-CG2 3.26Å; L748-V752 PolarHBondContact O-N 2.96Å; L748-V752 VanDerWaalsContact O-N 3.09Å; M749-V752 HydrophobicContact CE-CB 4.24Å; M749-V752 HydrophobicContact CE-CG2 4.03Å; M749-V752 PolarHBondContact O-N 2.94Å; N750-V752 PolarHBondContact O-N 3.37Å; V752-F755 PolarHBondContact O-N 3.5Å; V752-T756 WeakPolarHBondContact O-CB 3.39Å; V752-T756 PolarHBondContact O-N 2.9Å; V752-T756 PolarHBondContact O-OG1 3.22Å; V752-I832 HydrophobicContact CG1-CB 4.48Å; V752-I832 HydrophobicContact CG1-CD1 4.33Å; V752-I832 HydrophobicContact CG1-CG2 3.94Å; V752-I832 HydrophobicContact CG2-CD1 4.34Å; V752-I832 HydrophobicContact CG2-CG2 4.36Å |
| 753 | N | 94.1 | Very high | 89.4 | Confident | 17 Ų | 17 | 32.1 Ų | 32.1 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.1 | -45 | 176.8 | -177.5 | 55.6 | 0 | 0 | 0 | 112.1 | M749 N750 F755 T756 L757 A864 S867 S868 | M749-N753 PolarHBondContact O-N 3.18Å; N750-N753 PolarHBondContact O-N 3.24Å; N753-F755 VanDerWaalsContact C-N 3.31Å; N753-F755 PolarHBondContact O-N 3.02Å; N753-T756 WeakPolarHBondContact O-CB 3.5Å; N753-T756 PolarHBondContact O-N 3.29Å; N753-L757 WeakPolarHBondContact O-CG 3.45Å; N753-L757 PolarHBondContact O-N 3.31Å; N753-A864 HydrophobicContact CB-CB 3.84Å; N753-A864 PolarHBondContact OD1-O 3.13Å; N753-S867 PolarHBondContact ND2-OG 3.08Å; N753-S867 WeakPolarHBondContact OD1-CB 3.37Å; N753-S867 PolarHBondContact OD1-OG 2.94Å; N753-S868 WeakPolarHBondContact CA-OG 3.27Å; N753-S868 PolarHBondContact OD1-N 2.81Å; N753-S868 PolarHBondContact OD1-OG 3.38Å |
| 754 | V | 94.2 | Very high | 88.8 | Confident | 96 Ų | 96 | 31.3 Ų | 31.3 | 58% | 0.582 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -61.6 | -40.3 | 174.3 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | N750 S758 | N750-V754 WeakPolarHBondContact O-CG2 3.43Å; N750-V754 PolarHBondContact O-N 3.44Å; V754-S758 PolarHBondContact O-N 2.73Å; V754-S758 PolarHBondContact O-OG 3.02Å |
| 755 | F | 92.4 | Very high | 88.2 | Confident | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.3 | -48.7 | 173.3 | -178.4 | -81.8 | 0 | 0 | 0 | 111.4 | L702 R711 L715 A751 V752 N753 L757 S758 V759 F825 | L702-F755 HydrophobicContact CB-CD2 4.08Å; L702-F755 HydrophobicContact CD2-CD2 4.44Å; R711-F755 HydrophobicContact CB-CE2 4.32Å; L715-F755 HydrophobicContact CD1-CD1 4.24Å; L715-F755 HydrophobicContact CD1-CE1 3.57Å; L715-F755 HydrophobicContact CD1-CE2 4.37Å; L715-F755 HydrophobicContact CD1-CZ 3.67Å; L715-F755 HydrophobicContact CD2-CD1 4.32Å; L715-F755 HydrophobicContact CD2-CE1 4.47Å; A751-F755 VanDerWaalsContact O-CB 3.22Å; A751-F755 WeakPolarHBondContact O-CB 3.48Å; A751-F755 PolarHBondContact O-N 2.88Å; V752-F755 PolarHBondContact O-N 3.5Å; N753-F755 VanDerWaalsContact C-N 3.31Å; N753-F755 PolarHBondContact O-N 3.02Å; F755-L757 PolarHBondContact O-N 3.16Å; F755-S758 PolarHBondContact O-N 2.71Å; F755-S758 VanDerWaalsContact O-N 3.15Å; F755-S758 PolarHBondContact O-OG 3.41Å; F755-V759 HydrophobicContact CD1-CG2 4.21Å; F755-V759 HydrophobicContact CE1-CG2 3.71Å; F755-V759 HydrophobicContact CZ-CG2 4.09Å; F755-V759 PolarHBondContact O-N 2.89Å; F755-V759 VanDerWaalsContact O-N 3.09Å; F755-F825 HydrophobicContact CE1-CB 3.93Å; F755-F825 HydrophobicContact CE1-CD1 4.3Å; F755-F825 HydrophobicContact CE1-CG 4.31Å; F755-F825 HydrophobicContact CZ-CB 3.99Å; F755-F825 AromaticContact CZ-CD1 3.64Å; F755-F825 HydrophobicContact CZ-CD1 3.64Å; F755-F825 HydrophobicContact CZ-CE1 4.14Å; F755-F825 AromaticContact CZ-CG 3.85Å; F755-F825 HydrophobicContact CZ-CG 3.85Å |
| 756 | T | 91.2 | Very high | 87.1 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.2 | -47.8 | 178.5 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | V752 N753 S758 V759 F760 L826 V871 M872 | V752-T756 WeakPolarHBondContact O-CB 3.39Å; V752-T756 PolarHBondContact O-N 2.9Å; V752-T756 PolarHBondContact O-OG1 3.22Å; N753-T756 WeakPolarHBondContact O-CB 3.5Å; N753-T756 PolarHBondContact O-N 3.29Å; T756-S758 VanDerWaalsContact C-N 3.34Å; T756-S758 PolarHBondContact O-N 3.03Å; T756-V759 PolarHBondContact O-N 3.28Å; T756-F760 HydrophobicContact CG2-CD2 4.24Å; T756-F760 HydrophobicContact CG2-CE2 4.05Å; T756-F760 WeakPolarHBondContact O-CD2 3.41Å; T756-F760 PolarHBondContact O-N 3.28Å; T756-L826 HydrophobicContact CG2-CD1 4.45Å; T756-V871 HydrophobicContact CG2-CG1 4.36Å; T756-M872 HydrophobicContact CG2-CE 3.63Å |
| 757 | L | 91.5 | Very high | 85.3 | Confident | 67 Ų | 67 | 40.3 Ų | 40.3 | 35% | 0.351 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.4 | -37.5 | 178.1 | -68.5 | 166.8 | 0 | 0 | 0 | 111.9 | N753 F755 V759 F760 D761 V871 | N753-L757 WeakPolarHBondContact O-CG 3.45Å; N753-L757 PolarHBondContact O-N 3.31Å; F755-L757 PolarHBondContact O-N 3.16Å; L757-V759 PolarHBondContact O-N 3.37Å; L757-F760 PolarHBondContact O-N 2.98Å; L757-D761 WeakPolarHBondContact O-CB 3.3Å; L757-D761 PolarHBondContact O-N 3.22Å; L757-V871 HydrophobicContact CD2-CB 4.29Å; L757-V871 HydrophobicContact CD2-CG1 3.98Å; L757-V871 HydrophobicContact CD2-CG2 4.31Å |
| 758 | S | 90.1 | Very high | 83.4 | Confident | 33 Ų | 33 | 44.4 Ų | 44.4 | 23% | 0.231 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.6 | -32.2 | 177 | 65.6 | 0 | 0 | 0 | 0 | 113.1 | V754 F755 T756 D761 E762 | V754-S758 PolarHBondContact O-N 2.73Å; V754-S758 PolarHBondContact O-OG 3.02Å; F755-S758 PolarHBondContact O-N 2.71Å; F755-S758 VanDerWaalsContact O-N 3.15Å; F755-S758 PolarHBondContact O-OG 3.41Å; T756-S758 VanDerWaalsContact C-N 3.34Å; T756-S758 PolarHBondContact O-N 3.03Å; S758-D761 PolarHBondContact O-N 3.2Å; S758-E762 WeakPolarHBondContact O-CB 3.47Å; S758-E762 WeakPolarHBondContact O-CG 3.4Å; S758-E762 PolarHBondContact O-N 3.04Å |
| 759 | V | 86.7 | Confident | 81.3 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 173.4 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | F755 T756 L757 A763 F822 F825 L826 | F755-V759 HydrophobicContact CD1-CG2 4.21Å; F755-V759 HydrophobicContact CE1-CG2 3.71Å; F755-V759 HydrophobicContact CZ-CG2 4.09Å; F755-V759 PolarHBondContact O-N 2.89Å; F755-V759 VanDerWaalsContact O-N 3.09Å; T756-V759 PolarHBondContact O-N 3.28Å; L757-V759 PolarHBondContact O-N 3.37Å; V759-A763 WeakPolarHBondContact O-CB 3.37Å; V759-A763 PolarHBondContact O-N 3.07Å; V759-F822 HydrophobicContact CG1-CE1 3.86Å; V759-F822 HydrophobicContact CG1-CZ 3.86Å; V759-F822 WeakPolarHBondContact O-CZ 3.49Å; V759-F825 HydrophobicContact CG2-CB 4.18Å; V759-L826 HydrophobicContact CG1-CB 4.28Å |
| 760 | F | 86.8 | Confident | 78.8 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.7 | -36.1 | 174.5 | -78.6 | -67.9 | 0 | 0 | 0 | 112.7 | T756 L757 S764 F786 Y788 L793 L826 V871 M872 A875 | T756-F760 HydrophobicContact CG2-CD2 4.24Å; T756-F760 HydrophobicContact CG2-CE2 4.05Å; T756-F760 WeakPolarHBondContact O-CD2 3.41Å; T756-F760 PolarHBondContact O-N 3.28Å; L757-F760 PolarHBondContact O-N 2.98Å; F760-S764 PolarHBondContact O-N 3.47Å; F760-S764 VanDerWaalsContact O-N 3.12Å; F760-F786 HydrophobicContact CE1-CB 4.05Å; F760-F786 HydrophobicContact CE1-CG 4.37Å; F760-F786 HydrophobicContact CZ-CB 4.41Å; F760-F786 HydrophobicContact CZ-CD1 4.33Å; F760-F786 HydrophobicContact CZ-CG 4.22Å; F760-Y788 HydrophobicContact CB-CD1 3.95Å; F760-Y788 HydrophobicContact CB-CE1 3.93Å; F760-Y788 AromaticContact CD1-CD1 3.92Å; F760-Y788 HydrophobicContact CD1-CD1 3.92Å; F760-Y788 HydrophobicContact CD1-CD2 4.2Å; F760-Y788 AromaticContact CD1-CG 3.7Å; F760-Y788 HydrophobicContact CD1-CG 3.7Å; F760-Y788 HydrophobicContact CE1-CG 4.37Å; F760-Y788 HydrophobicContact CG-CD1 4.38Å; F760-Y788 HydrophobicContact CG-CG 4.47Å; F760-L793 HydrophobicContact CD1-CD1 3.97Å; F760-L793 HydrophobicContact CE1-CD1 4.07Å; F760-L826 HydrophobicContact CD2-CD1 4.43Å; F760-L826 HydrophobicContact CE1-CD2 3.85Å; F760-L826 HydrophobicContact CE2-CD1 3.61Å; F760-L826 HydrophobicContact CE2-CD2 4.34Å; F760-L826 HydrophobicContact CZ-CD1 3.71Å; F760-L826 HydrophobicContact CZ-CD2 3.7Å; F760-L826 HydrophobicContact CZ-CG 4.34Å; F760-V871 HydrophobicContact CD2-CG1 4.12Å; F760-V871 HydrophobicContact CD2-CG2 3.95Å; F760-V871 HydrophobicContact CE2-CG1 3.98Å; F760-V871 HydrophobicContact CE2-CG2 4.21Å; F760-V871 HydrophobicContact CG-CG2 4.33Å; F760-M872 HydrophobicContact CE2-CG 4.18Å; F760-M872 HydrophobicContact CZ-CG 4.34Å; F760-A875 HydrophobicContact CD1-CB 4.47Å; F760-A875 HydrophobicContact CE1-CB 3.64Å; F760-A875 HydrophobicContact CZ-CB 4.05Å |
| 761 | D | 84.6 | Confident | 76 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 36% | 0.358 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.4 | -47.6 | 174.8 | 173.2 | 51 | 0 | 0 | 0 | 112.3 | L757 S758 A763 S764 K765 | L757-D761 WeakPolarHBondContact O-CB 3.3Å; L757-D761 PolarHBondContact O-N 3.22Å; S758-D761 PolarHBondContact O-N 3.2Å; D761-A763 VanDerWaalsContact C-N 3.31Å; D761-A763 PolarHBondContact O-N 2.84Å; D761-S764 PolarHBondContact O-N 2.96Å; D761-S764 PolarHBondContact O-OG 2.95Å; D761-K765 WeakPolarHBondContact O-CG 3.49Å; D761-K765 PolarHBondContact O-N 2.95Å; D761-K765 VanDerWaalsContact O-N 3.1Å; D761-K765 WeakPolarHBondContact OD1-CE 3.18Å; D761-K765 IonicContact OD1-NZ 3.94Å; D761-K765 PolarHBondContact OD1-NZ 3.48Å; D761-K765 IonicContact OD2-NZ 2.67Å; D761-K765 PolarHBondContact OD2-NZ 2.98Å |
| 762 | E | 81.9 | Confident | 73.2 | Confident | 71 Ų | 71 | 69.5 Ų | 69.5 | 33% | 0.332 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.2 | -39.7 | 174.3 | -77.1 | -179.6 | -178.8 | 0 | 0 | 112.2 | S758 K765 T766 F822 | S758-E762 WeakPolarHBondContact O-CB 3.47Å; S758-E762 WeakPolarHBondContact O-CG 3.4Å; S758-E762 PolarHBondContact O-N 3.04Å; E762-K765 PolarHBondContact O-N 2.66Å; E762-T766 PolarHBondContact O-N 3.24Å; E762-T766 VanDerWaalsContact O-N 3.16Å; E762-T766 PolarHBondContact O-OG1 3.28Å; E762-F822 HydrophobicContact CB-CE2 4.29Å; E762-F822 HydrophobicContact CB-CZ 4.13Å |
| 763 | A | 75 | Confident | 70.3 | Confident | 2 Ų | 2 | 74.8 Ų | 74.8 | 2% | 0.017 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.8 | -50.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V759 D761 K765 T766 S767 V791 L793 F822 | V759-A763 WeakPolarHBondContact O-CB 3.37Å; V759-A763 PolarHBondContact O-N 3.07Å; D761-A763 VanDerWaalsContact C-N 3.31Å; D761-A763 PolarHBondContact O-N 2.84Å; A763-K765 VanDerWaalsContact C-N 3.28Å; A763-K765 PolarHBondContact O-N 3.01Å; A763-T766 WeakPolarHBondContact O-CB 3.27Å; A763-T766 PolarHBondContact O-N 3.04Å; A763-T766 VanDerWaalsContact O-N 3.12Å; A763-S767 PolarHBondContact O-N 3.47Å; A763-V791 HydrophobicContact CB-CG1 4.31Å; A763-L793 HydrophobicContact CB-CD1 3.75Å; A763-L793 HydrophobicContact CB-CD2 3.9Å; A763-L793 HydrophobicContact CB-CG 4.31Å; A763-F822 HydrophobicContact CB-CE1 3.99Å; A763-F822 HydrophobicContact CB-CZ 4.24Å |
| 764 | S | 73.3 | Confident | 67.2 | Low | 30 Ų | 30 | 76.5 Ų | 76.5 | 21% | 0.21 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.2 | -38.6 | -179 | 78.2 | 0 | 0 | 0 | 0 | 112.7 | F760 D761 T766 S767 | F760-S764 PolarHBondContact O-N 3.47Å; F760-S764 VanDerWaalsContact O-N 3.12Å; D761-S764 PolarHBondContact O-N 2.96Å; D761-S764 PolarHBondContact O-OG 2.95Å; S764-T766 VanDerWaalsContact C-N 3.35Å; S764-T766 PolarHBondContact O-N 3.13Å; S764-S767 WeakPolarHBondContact O-CB 3.46Å; S764-S767 PolarHBondContact O-N 3.1Å |
| 765 | K | 73.7 | Confident | 64.3 | Low | 115 Ų | 115 | 78.5 Ų | 78.5 | 50% | 0.5 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.5 | -29.9 | 178.4 | -72.7 | 165.5 | 177.6 | 164.9 | 0 | 113.4 | D761 E762 A763 S767 Q768 | D761-K765 WeakPolarHBondContact O-CG 3.49Å; D761-K765 PolarHBondContact O-N 2.95Å; D761-K765 VanDerWaalsContact O-N 3.1Å; D761-K765 WeakPolarHBondContact OD1-CE 3.18Å; D761-K765 IonicContact OD1-NZ 3.94Å; D761-K765 PolarHBondContact OD1-NZ 3.48Å; D761-K765 IonicContact OD2-NZ 2.67Å; D761-K765 PolarHBondContact OD2-NZ 2.98Å; E762-K765 PolarHBondContact O-N 2.66Å; A763-K765 VanDerWaalsContact C-N 3.28Å; A763-K765 PolarHBondContact O-N 3.01Å; K765-S767 VanDerWaalsContact C-N 3.31Å; K765-Q768 PolarHBondContact O-N 2.85Å |
| 766 | T | 64.5 | Low | 61.4 | Low | 81 Ų | 81 | 87.7 Ų | 87.7 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.5 | -33.9 | 177.5 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | E762 A763 S764 Q768 R769 | E762-T766 PolarHBondContact O-N 3.24Å; E762-T766 VanDerWaalsContact O-N 3.16Å; E762-T766 PolarHBondContact O-OG1 3.28Å; A763-T766 WeakPolarHBondContact O-CB 3.27Å; A763-T766 PolarHBondContact O-N 3.04Å; A763-T766 VanDerWaalsContact O-N 3.12Å; S764-T766 VanDerWaalsContact C-N 3.35Å; S764-T766 PolarHBondContact O-N 3.13Å; T766-Q768 PolarHBondContact O-N 3.24Å; T766-Q768 VanDerWaalsContact O-N 3.07Å; T766-R769 PolarHBondContact O-N 3.13Å |
| 767 | S | 54.5 | Low | 58.5 | Low | 70 Ų | 70 | 92 Ų | 92 | 49% | 0.49 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -17.4 | 176.7 | -161.3 | 0 | 0 | 0 | 0 | 114.9 | A763 S764 K765 | A763-S767 PolarHBondContact O-N 3.47Å; S764-S767 WeakPolarHBondContact O-CB 3.46Å; S764-S767 PolarHBondContact O-N 3.1Å; K765-S767 VanDerWaalsContact C-N 3.31Å |
| 768 | Q | 50.8 | Low | 55.5 | Low | 169 Ų | 169 | 96.2 Ų | 96.2 | 79% | 0.79 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 7.6 | -177.4 | -64.5 | -172.3 | -12 | 0 | 0 | 113.9 | K765 T766 | K765-Q768 PolarHBondContact O-N 2.85Å; T766-Q768 PolarHBondContact O-N 3.24Å; T766-Q768 VanDerWaalsContact O-N 3.07Å |
| 769 | R | 49.2 | Very low | 52.7 | Low | 212 Ų | 212 | 102.6 Ų | 102.6 | 80% | 0.8 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | -23.4 | -176.8 | -73.1 | -173.2 | 170.3 | -175.5 | -2.8 | 115.7 | T766 | T766-R769 PolarHBondContact O-N 3.13Š|
| 770 | D | 40.1 | Very low | 50.2 | Low | 116 Ų | 116 | 106.8 Ų | 106.8 | 62% | 0.62 | 59% | 0.59 | S | S | * | * | trans | -111.7 | 55.2 | -171.9 | -74.7 | -46.3 | 0 | 0 | 0 | 114.2 | S772 | D770-S772 PolarHBondContact O-N 2.86Š| ||
| 771 | E | 36.7 | Very low | 48.2 | Very low | 197 Ų | 197 | 111.8 Ų | 111.8 | 92% | 0.921 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 16.2 | 167 | -70.7 | -162.4 | 133.3 | 0 | 0 | 113.6 | ||
| 772 | S | 33.3 | Very low | 46.7 | Very low | 102 Ų | 102 | 114 Ų | 114 | 71% | 0.713 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.7 | 22.6 | -167.9 | 65.3 | 0 | 0 | 0 | 0 | 116.8 | D770 | D770-S772 PolarHBondContact O-N 2.86Š|
| 773 | T | 32.5 | Very low | 45.9 | Very low | 114 Ų | 114 | 114.4 Ų | 114.4 | 70% | 0.699 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -131.9 | 148.4 | 158.2 | 45 | 0 | 0 | 0 | 0 | 112.2 | ||
| 774 | G | 28.9 | Very low | 45.7 | Very low | 54 Ų | 54 | 117 Ų | 117 | 56% | 0.557 | 66% | 0.664 | S | S | * | * | trans | -77 | 170.8 | -171 | 0 | 0 | 0 | 0 | 0 | 115.1 | F776 | G774-F776 PolarHBondContact O-N 3.27Š| ||
| 775 | P | 31.9 | Very low | 46.1 | Very low | 138 Ų | 138 | 115.5 Ų | 115.5 | 90% | 0.896 | 65% | 0.654 | S | S | * | * | trans | -67.5 | 117.7 | -171.6 | 27.1 | -35 | 0 | 0 | 0 | 112.7 | S777 | P775-S777 PolarHBondContact O-N 3.28Š| ||
| 776 | F | 32.9 | Very low | 46.6 | Very low | 198 Ų | 198 | 110 Ų | 110 | 87% | 0.868 | 63% | 0.631 | S | S | * | * | trans | -81.5 | 94.4 | 173.1 | -94 | -86.4 | 0 | 0 | 0 | 111.5 | G774 | G774-F776 PolarHBondContact O-N 3.27Š| ||
| 777 | S | 30.7 | Very low | 47.5 | Very low | 92 Ų | 92 | 110.6 Ų | 110.6 | 64% | 0.643 | 63% | 0.63 | S | S | * | * | trans | 33.4 | 115 | 156.9 | 62.8 | 0 | 0 | 0 | 0 | 119.2 | P775 | P775-S777 PolarHBondContact O-N 3.28Š| ||
| 778 | D | 28 | Very low | 48.8 | Very low | 155 Ų | 155 | 109.9 Ų | 109.9 | 83% | 0.829 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -51 | 140.8 | 153.5 | -57.4 | -71.3 | 0 | 0 | 0 | 111.2 | ||
| 779 | N | 30.1 | Very low | 50.2 | Low | 167 Ų | 167 | 108.1 Ų | 108.1 | 89% | 0.893 | 61% | 0.608 | S | S | * | * | trans | 111.7 | 13 | -180 | -61.9 | -63.3 | 0 | 0 | 0 | 117.8 | S781 | N779-S781 PolarHBondContact O-N 3.03Š| ||
| 780 | A | 34.5 | Very low | 51.2 | Low | 91 Ų | 91 | 100.8 Ų | 100.8 | 75% | 0.752 | 60% | 0.599 | S | S | * | * | trans | -71.7 | 118.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110 | V782 | A780-V782 PolarHBondContact O-N 3.28Š| ||
| 781 | S | 45 | Very low | 52.9 | Low | 106 Ų | 106 | 96.8 Ų | 96.8 | 74% | 0.741 | 58% | 0.579 | S | S | * | * | trans | -61.2 | 130 | 170.5 | 52.9 | 0 | 0 | 0 | 0 | 110 | N779 V783 | N779-S781 PolarHBondContact O-N 3.03Å; S781-V783 PolarHBondContact O-N 3.47Å | ||
| 782 | V | 53.6 | Low | 54.9 | Low | 114 Ų | 114 | 91 Ų | 91 | 69% | 0.691 | 56% | 0.56 | S | S | * | * | trans | -60.9 | 100.9 | -173.1 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | A780 | A780-V782 PolarHBondContact O-N 3.28Š| ||
| 783 | V | 64.4 | Low | 57.1 | Low | 79 Ų | 79 | 86.7 Ų | 86.7 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | trans | -67.4 | 127.3 | 174.8 | -178.2 | 0 | 0 | 0 | 0 | 108 | S781 G785 P794 | S781-V783 PolarHBondContact O-N 3.47Å; V783-G785 PolarHBondContact O-N 2.97Å; V783-P794 HydrophobicContact CB-CB 4.06Å; V783-P794 HydrophobicContact CG1-CB 3.65Å | ||
| 784 | P | 70.3 | Confident | 59.3 | Low | 56 Ų | 56 | 83.6 Ų | 83.6 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -55.8 | 132.2 | -178.3 | -26.2 | 34.3 | 0 | 0 | 0 | 112.3 | L795 N878 I881 | P784-L795 WeakPolarHBondContact O-CB 3.39Å; P784-L795 PolarHBondContact O-N 2.87Å; P784-N878 HydrophobicContact CB-CB 4.1Å; P784-I881 HydrophobicContact CB-CD1 3.91Å |
| 785 | G | 81.9 | Confident | 61.7 | Low | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.2 | -136.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V783 L793 N877 I881 | V783-G785 PolarHBondContact O-N 2.97Å; G785-L793 WeakPolarHBondContact CA-O 3.5Å; G785-N877 VanDerWaalsContact C-OD1 3.25Å; G785-N877 PolarHBondContact N-OD1 3.5Å; G785-N877 PolarHBondContact O-N 3.44Å; G785-N877 PolarHBondContact O-OD1 2.88Å; G785-I881 VanDerWaalsContact N-CD1 3.32Å |
| 786 | F | 85.7 | Confident | 63.8 | Low | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 141.1 | -173 | -52.5 | -84.1 | 0 | 0 | 0 | 110.3 | F760 L793 L795 L826 Y830 M872 A875 I881 L885 | F760-F786 HydrophobicContact CE1-CB 4.05Å; F760-F786 HydrophobicContact CE1-CG 4.37Å; F760-F786 HydrophobicContact CZ-CB 4.41Å; F760-F786 HydrophobicContact CZ-CD1 4.33Å; F760-F786 HydrophobicContact CZ-CG 4.22Å; F786-L793 HydrophobicContact CB-CB 4.32Å; F786-L793 PolarHBondContact N-O 3.29Å; F786-L793 PolarHBondContact O-N 2.88Å; F786-L795 HydrophobicContact CE2-CD2 3.74Å; F786-L795 HydrophobicContact CE2-CG 4.2Å; F786-L795 HydrophobicContact CZ-CD2 4.49Å; F786-L826 HydrophobicContact CB-CD2 4.34Å; F786-L826 HydrophobicContact CD2-CD2 3.35Å; F786-L826 HydrophobicContact CD2-CG 3.8Å; F786-L826 HydrophobicContact CE2-CD1 4.38Å; F786-L826 HydrophobicContact CE2-CD2 3.85Å; F786-L826 HydrophobicContact CE2-CG 3.74Å; F786-L826 HydrophobicContact CG-CD2 4.02Å; F786-Y830 HydrophobicContact CZ-CD2 4.15Å; F786-M872 HydrophobicContact CD1-CB 4.48Å; F786-M872 VanDerWaalsContact CD1-O 3.28Å; F786-M872 WeakPolarHBondContact CD1-O 3.38Å; F786-M872 HydrophobicContact CE1-CB 3.73Å; F786-M872 HydrophobicContact CE1-CG 4.11Å; F786-M872 VanDerWaalsContact CE1-O 3.29Å; F786-M872 WeakPolarHBondContact CE1-O 3.44Å; F786-M872 HydrophobicContact CZ-CB 4.28Å; F786-M872 HydrophobicContact CZ-CG 4.24Å; F786-A875 CarbonylContact C-O 3.44Å; F786-A875 VanDerWaalsContact CA-O 3.23Å; F786-A875 WeakPolarHBondContact CA-O 3.43Å; F786-A875 HydrophobicContact CB-CB 3.89Å; F786-A875 HydrophobicContact CD1-CB 4.13Å; F786-A875 HydrophobicContact CG-CB 4.45Å; F786-I881 HydrophobicContact CE1-CG2 3.83Å; F786-I881 HydrophobicContact CZ-CG2 4.01Å; F786-L885 HydrophobicContact CE1-CD1 4.25Å |
| 787 | L | 82.9 | Confident | 65.4 | Low | 92 Ų | 92 | 73.5 Ų | 73.5 | 48% | 0.482 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 101.3 | 172.2 | 179.7 | 67.3 | 0 | 0 | 0 | 107.6 | G790 V791 A875 N877 | L787-G790 WeakPolarHBondContact CD1-O 3.45Å; L787-V791 WeakPolarHBondContact CA-O 3.49Å; L787-A875 PolarHBondContact N-O 2.9Å; L787-N877 HydrophobicContact CB-CB 3.92Å |
| 788 | Y | 81.6 | Confident | 67 | Low | 55 Ų | 55 | 69.3 Ų | 69.3 | 22% | 0.216 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 120.8 | -176.5 | -168 | -111.9 | 0 | 0 | 0 | 110.4 | F760 G790 V791 V871 A875 | F760-Y788 HydrophobicContact CB-CD1 3.95Å; F760-Y788 HydrophobicContact CB-CE1 3.93Å; F760-Y788 AromaticContact CD1-CD1 3.92Å; F760-Y788 HydrophobicContact CD1-CD1 3.92Å; F760-Y788 HydrophobicContact CD1-CD2 4.2Å; F760-Y788 AromaticContact CD1-CG 3.7Å; F760-Y788 HydrophobicContact CD1-CG 3.7Å; F760-Y788 HydrophobicContact CE1-CG 4.37Å; F760-Y788 HydrophobicContact CG-CD1 4.38Å; F760-Y788 HydrophobicContact CG-CG 4.47Å; Y788-G790 PolarHBondContact O-N 3.48Å; Y788-V791 PolarHBondContact N-O 3.42Å; Y788-V791 WeakPolarHBondContact O-CB 3.47Å; Y788-V791 PolarHBondContact O-N 2.73Å; Y788-V871 HydrophobicContact CE2-CG2 4.33Å; Y788-A875 HydrophobicContact CD2-CB 3.94Å; Y788-A875 HydrophobicContact CG-CB 4.45Å |
| 789 | H | 80 | Confident | 68.2 | Low | 132 Ų | 132 | 65.9 Ų | 65.9 | 61% | 0.611 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.5 | 35.4 | -173.2 | -62.6 | -53.7 | 0 | 0 | 0 | 114.9 | ||
| 790 | G | 70.9 | Confident | 69.3 | Low | 59 Ų | 59 | 61 Ų | 61 | 61% | 0.608 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.7 | -11.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L787 Y788 | L787-G790 WeakPolarHBondContact CD1-O 3.45Å; Y788-G790 PolarHBondContact O-N 3.48Å |
| 791 | V | 75.1 | Confident | 70 | Confident | 31 Ų | 31 | 68.5 Ų | 68.5 | 19% | 0.188 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 123.2 | 177.3 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | A763 L787 Y788 L793 | A763-V791 HydrophobicContact CB-CG1 4.31Å; L787-V791 WeakPolarHBondContact CA-O 3.49Å; Y788-V791 PolarHBondContact N-O 3.42Å; Y788-V791 WeakPolarHBondContact O-CB 3.47Å; Y788-V791 PolarHBondContact O-N 2.73Å; V791-L793 HydrophobicContact CG1-CD2 3.94Å; V791-L793 HydrophobicContact CG1-CG 4.36Å |
| 792 | S | 78.2 | Confident | 70.5 | Confident | 77 Ų | 77 | 72.5 Ų | 72.5 | 54% | 0.538 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 117.5 | 176.4 | -175 | 0 | 0 | 0 | 0 | 111.3 | P794 | S792-P794 WeakPolarHBondContact O-CD 3.45Å |
| 793 | L | 80.4 | Confident | 70.7 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 5% | 0.052 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 88.8 | -179.3 | -59.1 | 178 | 0 | 0 | 0 | 109.2 | F760 A763 G785 F786 V791 F822 L826 | F760-L793 HydrophobicContact CD1-CD1 3.97Å; F760-L793 HydrophobicContact CE1-CD1 4.07Å; A763-L793 HydrophobicContact CB-CD1 3.75Å; A763-L793 HydrophobicContact CB-CD2 3.9Å; A763-L793 HydrophobicContact CB-CG 4.31Å; G785-L793 WeakPolarHBondContact CA-O 3.5Å; F786-L793 HydrophobicContact CB-CB 4.32Å; F786-L793 PolarHBondContact N-O 3.29Å; F786-L793 PolarHBondContact O-N 2.88Å; V791-L793 HydrophobicContact CG1-CD2 3.94Å; V791-L793 HydrophobicContact CG1-CG 4.36Å; L793-F822 HydrophobicContact CD2-CD1 3.85Å; L793-F822 HydrophobicContact CD2-CE1 3.73Å; L793-L826 HydrophobicContact CB-CD2 4.13Å; L793-L826 HydrophobicContact CD1-CD2 3.95Å |
| 794 | P | 78.4 | Confident | 70.2 | Confident | 49 Ų | 49 | 69.8 Ų | 69.8 | 32% | 0.318 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 145.4 | 178.7 | 28.4 | -34.6 | 0 | 0 | 0 | 111.4 | V783 S792 V796 | V783-P794 HydrophobicContact CB-CB 4.06Å; V783-P794 HydrophobicContact CG1-CB 3.65Å; S792-P794 WeakPolarHBondContact O-CD 3.45Å; P794-V796 PolarHBondContact O-N 3.12Å |
| 795 | L | 79.7 | Confident | 69.7 | Low | 34 Ų | 34 | 70.6 Ų | 70.6 | 18% | 0.178 | 38% | 0.381 | C | S | . | . | trans | -65.6 | 130.8 | 163.1 | -73.1 | 176.7 | 0 | 0 | 0 | 108.9 | P784 F786 T827 I881 | P784-L795 WeakPolarHBondContact O-CB 3.39Å; P784-L795 PolarHBondContact O-N 2.87Å; F786-L795 HydrophobicContact CE2-CD2 3.74Å; F786-L795 HydrophobicContact CE2-CG 4.2Å; F786-L795 HydrophobicContact CZ-CD2 4.49Å; L795-T827 WeakPolarHBondContact CA-OG1 3.5Å; L795-T827 HydrophobicContact CD2-CG2 4.13Å; L795-I881 HydrophobicContact CD1-CD1 3.51Å; L795-I881 HydrophobicContact CD1-CG1 4.13Å; L795-I881 HydrophobicContact CG-CD1 4.17Å | ||
| 796 | V | 75.4 | Confident | 69 | Low | 25 Ų | 25 | 73.7 Ų | 73.7 | 15% | 0.152 | 40% | 0.403 | C | S | . | . | trans | -108.7 | 93.2 | -174.3 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | P794 L798 P821 Y824 T827 | P794-V796 PolarHBondContact O-N 3.12Å; V796-L798 PolarHBondContact O-N 2.75Å; V796-P821 HydrophobicContact CG1-CB 4.02Å; V796-P821 HydrophobicContact CG1-CG 4.1Å; V796-P821 HydrophobicContact CG2-CB 4.29Å; V796-Y824 WeakPolarHBondContact O-CD2 3.49Å; V796-T827 PolarHBondContact N-OG1 2.73Å | ||
| 797 | V | 66.3 | Low | 68.8 | Low | 120 Ų | 120 | 76 Ų | 76 | 73% | 0.727 | 41% | 0.413 | S | S | * | . | trans | -76 | 109 | 165.7 | -178 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 798 | L | 64.4 | Low | 68.9 | Low | 4 Ų | 4 | 71.6 Ų | 71.6 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -66.3 | 132.3 | 160.4 | -63.9 | 174.1 | 0 | 0 | 0 | 107.4 | V796 T800 S806 Y808 Y824 | V796-L798 PolarHBondContact O-N 2.75Å; L798-T800 HydrophobicContact CD2-CG2 4.19Å; L798-S806 WeakPolarHBondContact O-CA 3.33Å; L798-S806 WeakPolarHBondContact O-CB 3.45Å; L798-Y808 HydrophobicContact CD1-CD2 4.14Å; L798-Y808 HydrophobicContact CD1-CE2 3.85Å; L798-Y824 HydrophobicContact CD1-CD2 4.07Å; L798-Y824 HydrophobicContact CD1-CE2 3.61Å; L798-Y824 HydrophobicContact CG-CD2 4.08Å; L798-Y824 HydrophobicContact CG-CE2 3.89Å |
| 799 | P | 52.7 | Low | 69.1 | Low | 83 Ų | 83 | 69 Ų | 69 | 54% | 0.539 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | cis | -93 | 132.6 | 30.1 | 34.7 | -37.5 | 0 | 0 | 0 | 115.6 | I803 | P799-I803 WeakPolarHBondContact CA-O 3.5Å; P799-I803 WeakPolarHBondContact CB-O 3.42Å |
| 800 | T | 53.3 | Low | 69.3 | Low | 64 Ų | 64 | 65.4 Ų | 65.4 | 39% | 0.393 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -75 | 161.1 | 151.9 | 56 | 0 | 0 | 0 | 0 | 109.7 | L798 K802 I803 | L798-T800 HydrophobicContact CD2-CG2 4.19Å; T800-K802 PolarHBondContact O-N 2.88Å; T800-I803 PolarHBondContact O-N 3.22Å |
| 801 | Y | 50.5 | Low | 69.8 | Low | 249 Ų | 249 | 63 Ų | 63 | 98% | 0.976 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 0.4 | -176.8 | -77.2 | -83.2 | 0 | 0 | 0 | 117.3 | ||
| 802 | K | 54 | Low | 69.9 | Low | 189 Ų | 189 | 62.6 Ų | 62.6 | 82% | 0.822 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.7 | 8.1 | 178.7 | -61.2 | -176.2 | 180 | 178.6 | 0 | 114.5 | T800 | T800-K802 PolarHBondContact O-N 2.88Š|
| 803 | I | 57.9 | Low | 69.5 | Low | 16 Ų | 16 | 66.5 Ų | 66.5 | 8% | 0.082 | 35% | 0.345 | C | S | . | . | trans | -139.5 | 96.3 | -176.4 | -50.8 | -178.3 | 0 | 0 | 0 | 109.9 | P799 T800 K805 L811 P818 | P799-I803 WeakPolarHBondContact CA-O 3.5Å; P799-I803 WeakPolarHBondContact CB-O 3.42Å; T800-I803 PolarHBondContact O-N 3.22Å; I803-K805 PolarHBondContact O-N 3.05Å; I803-L811 HydrophobicContact CG2-CD1 4.35Å; I803-L811 HydrophobicContact CG2-CD2 3.73Å; I803-P818 HydrophobicContact CD1-CB 3.77Å; I803-P818 HydrophobicContact CD1-CG 4.11Å | ||
| 804 | P | 54.8 | Low | 69.1 | Low | 121 Ų | 121 | 69.6 Ų | 69.6 | 79% | 0.786 | 36% | 0.359 | S | S | * | . | trans | -79.4 | 16.6 | -171.2 | 33.7 | -38.1 | 0 | 0 | 0 | 115.3 | ||||
| 805 | K | 60.5 | Low | 68.7 | Low | 72 Ų | 72 | 69.3 Ų | 69.3 | 31% | 0.313 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -130.2 | 142.8 | 179.5 | -55.7 | -171.1 | -170.9 | -177 | 0 | 109 | I803 D810 L811 E813 | I803-K805 PolarHBondContact O-N 3.05Å; K805-D810 HydrophobicContact CB-CB 4.26Å; K805-D810 HydrophobicContact CD-CB 3.88Å; K805-D810 WeakPolarHBondContact CD-O 3.4Å; K805-D810 PolarHBondContact NZ-O 3.36Å; K805-L811 HydrophobicContact CB-CD2 4.05Å; K805-L811 HydrophobicContact CD-CD2 4.41Å; K805-L811 HydrophobicContact CG-CD2 4.49Å; K805-E813 IonicContact NZ-OE1 3.6Å; K805-E813 PolarHBondContact NZ-OE1 3.32Å |
| 806 | S | 66.7 | Low | 68.6 | Low | 66 Ų | 66 | 75.5 Ų | 75.5 | 46% | 0.462 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -87.9 | -9.2 | -167 | 50 | 0 | 0 | 0 | 0 | 115.7 | L798 | L798-S806 WeakPolarHBondContact O-CA 3.33Å; L798-S806 WeakPolarHBondContact O-CB 3.45Å |
| 807 | K | 81.3 | Confident | 68.7 | Low | 47 Ų | 47 | 76.7 Ų | 76.7 | 20% | 0.204 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -139.3 | 150.9 | 178.7 | -65.3 | -164.4 | 178.4 | -168.1 | 0 | 111.9 | E719 M809 D810 | E719-K807 IonicContact OE1-NZ 2.71Å; E719-K807 PolarHBondContact OE1-NZ 2.96Å; E719-K807 IonicContact OE2-NZ 3.04Å; E719-K807 PolarHBondContact OE2-NZ 3.1Å; K807-M809 VanDerWaalsContact C-N 3.32Å; K807-M809 PolarHBondContact O-N 3.03Å; K807-D810 PolarHBondContact O-N 3.37Å |
| 808 | Y | 84.7 | Confident | 69.3 | Low | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -65.6 | -33.1 | -179.5 | -83.8 | -103.6 | 0 | 0 | 0 | 112.4 | F666 W709 E716 L798 D810 L811 P818 I819 V820 Y824 | F666-Y808 HydrophobicContact CE2-CD1 4.16Å; F666-Y808 HydrophobicContact CZ-CD1 4.24Å; W709-Y808 HydrophobicContact CB-CE1 4.4Å; E716-Y808 VanDerWaalsContact CD-N 3.32Å; E716-Y808 WeakPolarHBondContact OE1-CB 3.39Å; E716-Y808 PolarHBondContact OE1-N 2.89Å; E716-Y808 PolarHBondContact OE2-N 3.39Å; L798-Y808 HydrophobicContact CD1-CD2 4.14Å; L798-Y808 HydrophobicContact CD1-CE2 3.85Å; Y808-D810 PolarHBondContact O-N 3.49Å; Y808-L811 HydrophobicContact CD1-CD1 4Å; Y808-L811 HydrophobicContact CE1-CD1 4.37Å; Y808-L811 HydrophobicContact CG-CD1 4.26Å; Y808-L811 WeakPolarHBondContact O-CB 3.46Å; Y808-L811 PolarHBondContact O-N 2.81Å; Y808-L811 VanDerWaalsContact O-N 3.07Å; Y808-P818 HydrophobicContact CE1-CB 4.3Å; Y808-P818 HydrophobicContact CE1-CG 4.32Å; Y808-P818 WeakPolarHBondContact CE1-O 3.3Å; Y808-P818 PolarHBondContact OH-O 2.85Å; Y808-P818 VanDerWaalsContact OH-O 3.05Å; Y808-I819 PolarHBondContact OH-O 2.76Å; Y808-I819 VanDerWaalsContact OH-O 3.13Å; Y808-V820 HydrophobicContact CE1-CG2 4.21Å; Y808-V820 HydrophobicContact CE2-CG2 4.47Å; Y808-V820 WeakPolarHBondContact OH-CA 3.13Å; Y808-Y824 HydrophobicContact CD2-CD1 4.36Å; Y808-Y824 AromaticContact CD2-CE1 3.7Å; Y808-Y824 HydrophobicContact CD2-CE1 3.7Å; Y808-Y824 HydrophobicContact CE2-CD1 4.13Å; Y808-Y824 AromaticContact CE2-CE1 3.92Å; Y808-Y824 HydrophobicContact CE2-CE1 3.92Å |
| 809 | M | 86.1 | Confident | 70 | Confident | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.005 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -57.7 | -18.3 | 174.3 | -100.4 | -162.6 | -85.2 | 0 | 0 | 114.6 | V670 R674 L713 E716 V717 K720 K807 | V670-M809 WeakPolarHBondContact CG1-O 3.5Å; R674-M809 WeakPolarHBondContact CD-O 3.46Å; R674-M809 HydrophobicContact CG-CB 4.5Å; R674-M809 HydrophobicContact CG-CG 4.2Å; R674-M809 HydrophobicContact CG-SD 4.23Å; R674-M809 PolarHBondContact NH1-O 3.46Å; L713-M809 HydrophobicContact CD2-CB 4.37Å; L713-M809 HydrophobicContact CD2-CG 3.88Å; E716-M809 HydrophobicContact CB-CE 3.52Å; E716-M809 WeakPolarHBondContact O-CE 3.22Å; E716-M809 PolarHBondContact OE2-N 3.3Å; V717-M809 HydrophobicContact CB-CE 4.34Å; V717-M809 HydrophobicContact CG2-CE 3.58Å; V717-M809 HydrophobicContact CG2-SD 3.84Å; K720-M809 HydrophobicContact CD-CE 3.94Å; K807-M809 VanDerWaalsContact C-N 3.32Å; K807-M809 PolarHBondContact O-N 3.03Å |
| 810 | D | 83.3 | Confident | 71.4 | Confident | 57 Ų | 57 | 76.4 Ų | 76.4 | 31% | 0.305 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -97.4 | -4.5 | -179.7 | -59.8 | -45.9 | 0 | 0 | 0 | 113.2 | R674 K805 K807 Y808 V812 | R674-D810 IonicContact NH1-OD1 3.15Å; K805-D810 HydrophobicContact CB-CB 4.26Å; K805-D810 HydrophobicContact CD-CB 3.88Å; K805-D810 WeakPolarHBondContact CD-O 3.4Å; K805-D810 PolarHBondContact NZ-O 3.36Å; K807-D810 PolarHBondContact O-N 3.37Å; Y808-D810 PolarHBondContact O-N 3.49Å; D810-V812 PolarHBondContact O-N 2.99Å |
| 811 | L | 81.6 | Confident | 72.6 | Confident | 7 Ų | 7 | 75.3 Ų | 75.3 | 4% | 0.037 | 39% | 0.385 | C | S | . | . | trans | -81.6 | 34.2 | -178.7 | -59.3 | -179.7 | 0 | 0 | 0 | 114 | F666 I803 K805 Y808 E813 K814 P818 | F666-L811 HydrophobicContact CE1-CB 4.12Å; F666-L811 HydrophobicContact CZ-CB 3.99Å; F666-L811 HydrophobicContact CZ-CD1 4.4Å; I803-L811 HydrophobicContact CG2-CD1 4.35Å; I803-L811 HydrophobicContact CG2-CD2 3.73Å; K805-L811 HydrophobicContact CB-CD2 4.05Å; K805-L811 HydrophobicContact CD-CD2 4.41Å; K805-L811 HydrophobicContact CG-CD2 4.49Å; Y808-L811 HydrophobicContact CD1-CD1 4Å; Y808-L811 HydrophobicContact CE1-CD1 4.37Å; Y808-L811 HydrophobicContact CG-CD1 4.26Å; Y808-L811 WeakPolarHBondContact O-CB 3.46Å; Y808-L811 PolarHBondContact O-N 2.81Å; Y808-L811 VanDerWaalsContact O-N 3.07Å; L811-E813 PolarHBondContact O-N 3.34Å; L811-K814 PolarHBondContact O-N 3.07Å; L811-K814 VanDerWaalsContact O-N 3.15Å; L811-P818 HydrophobicContact CD1-CG 3.82Å | ||
| 812 | V | 77.1 | Confident | 73.8 | Confident | 23 Ų | 23 | 67.2 Ų | 67.2 | 14% | 0.139 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -21.4 | -173.1 | 179.7 | 0 | 0 | 0 | 0 | 114.9 | V670 R671 D810 | V670-V812 HydrophobicContact CG1-CG2 4.02Å; R671-V812 PolarHBondContact NH1-O 3.15Å; R671-V812 PolarHBondContact NH2-O 3.12Å; D810-V812 PolarHBondContact O-N 2.99Å |
| 813 | E | 70.9 | Confident | 75.1 | Confident | 159 Ų | 159 | 58.5 Ų | 58.5 | 74% | 0.743 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -14.6 | -174.3 | -64.2 | 146.3 | -113.1 | 0 | 0 | 114.6 | K805 L811 | K805-E813 IonicContact NZ-OE1 3.6Å; K805-E813 PolarHBondContact NZ-OE1 3.32Å; L811-E813 PolarHBondContact O-N 3.34Å |
| 814 | K | 70.9 | Confident | 76.4 | Confident | 76 Ų | 76 | 58.1 Ų | 58.1 | 33% | 0.33 | 32% | 0.316 | S | S | . | . | trans | -83.6 | 124.9 | -177.2 | -76.4 | -168.9 | 173.2 | -173.5 | 0 | 111.2 | F666 P667 L811 E816 P818 | F666-K814 WeakPolarHBondContact CD1-O 3.15Å; F666-K814 HydrophobicContact CE1-CB 4.26Å; P667-K814 WeakPolarHBondContact CG-O 3.47Å; L811-K814 PolarHBondContact O-N 3.07Å; L811-K814 VanDerWaalsContact O-N 3.15Å; K814-E816 VanDerWaalsContact C-N 3.33Å; K814-E816 PolarHBondContact O-N 2.86Å; K814-P818 HydrophobicContact CD-CG 3.97Å | ||
| 815 | G | 71.2 | Confident | 78 | Confident | 43 Ų | 43 | 52.7 Ų | 52.7 | 44% | 0.443 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -65.4 | -30.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P667 | P667-G815 WeakPolarHBondContact CD-O 3.48Š|
| 816 | E | 77.4 | Confident | 79.3 | Confident | 164 Ų | 164 | 49.5 Ų | 49.5 | 77% | 0.766 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -123.1 | 148.1 | 178.7 | -68.1 | -167.1 | 141.9 | 0 | 0 | 111.8 | K814 | K814-E816 VanDerWaalsContact C-N 3.33Å; K814-E816 PolarHBondContact O-N 2.86Å |
| 817 | P | 77.4 | Confident | 80.3 | Confident | 49 Ų | 49 | 46.9 Ų | 46.9 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -71.9 | 133.7 | -179 | 28.6 | -33.5 | 0 | 0 | 0 | 111.8 | F666 W709 | F666-P817 HydrophobicContact CB-CB 4.19Å; F666-P817 HydrophobicContact CB-CG 4.35Å; F666-P817 HydrophobicContact CD1-CB 4.41Å; F666-P817 HydrophobicContact CD2-CB 3.68Å; F666-P817 HydrophobicContact CE2-CB 4.09Å; F666-P817 HydrophobicContact CG-CB 3.84Å; W709-P817 HydrophobicContact CB-CB 3.97Å; W709-P817 HydrophobicContact CD2-CB 3.95Å; W709-P817 HydrophobicContact CD2-CG 4.31Å; W709-P817 HydrophobicContact CG-CB 3.56Å; W709-P817 HydrophobicContact CG-CG 4.07Å |
| 818 | P | 77.6 | Confident | 80.7 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 143.2 | 167.6 | -17.5 | 30.5 | 0 | 0 | 0 | 112 | I803 Y808 L811 K814 V820 | I803-P818 HydrophobicContact CD1-CB 3.77Å; I803-P818 HydrophobicContact CD1-CG 4.11Å; Y808-P818 HydrophobicContact CE1-CB 4.3Å; Y808-P818 HydrophobicContact CE1-CG 4.32Å; Y808-P818 WeakPolarHBondContact CE1-O 3.3Å; Y808-P818 PolarHBondContact OH-O 2.85Å; Y808-P818 VanDerWaalsContact OH-O 3.05Å; L811-P818 HydrophobicContact CD1-CG 3.82Å; K814-P818 HydrophobicContact CD-CG 3.97Å; P818-V820 PolarHBondContact O-N 3.4Å |
| 819 | I | 80 | Confident | 81.1 | Confident | 162 Ų | 162 | 44.8 Ų | 44.8 | 83% | 0.831 | 24% | 0.239 | S | C | * | . | P | Polyproline II helix | trans | -51.8 | 127.9 | 170.6 | -57.8 | 172.1 | 0 | 0 | 0 | 109.5 | Y808 P821 | Y808-I819 PolarHBondContact OH-O 2.76Å; Y808-I819 VanDerWaalsContact OH-O 3.13Å; I819-P821 WeakPolarHBondContact O-CD 3.3Å |
| 820 | V | 82 | Confident | 81.3 | Confident | 19 Ų | 19 | 46 Ų | 46 | 12% | 0.115 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -77 | 122.3 | 177.4 | -176 | 0 | 0 | 0 | 0 | 109.3 | D708 W709 A712 Y808 P818 Y824 F825 | D708-V820 HydrophobicContact CB-CB 4.23Å; D708-V820 HydrophobicContact CB-CG2 4.02Å; W709-V820 HydrophobicContact CB-CG2 4.12Å; A712-V820 HydrophobicContact CB-CG1 4.4Å; A712-V820 HydrophobicContact CB-CG2 4.29Å; Y808-V820 HydrophobicContact CE1-CG2 4.21Å; Y808-V820 HydrophobicContact CE2-CG2 4.47Å; Y808-V820 WeakPolarHBondContact OH-CA 3.13Å; P818-V820 PolarHBondContact O-N 3.4Å; V820-Y824 HydrophobicContact CG1-CD1 4.17Å; V820-F825 HydrophobicContact CB-CZ 4.48Å; V820-F825 HydrophobicContact CG1-CD1 4.4Å; V820-F825 HydrophobicContact CG1-CD2 4.47Å; V820-F825 HydrophobicContact CG1-CE1 4.08Å; V820-F825 HydrophobicContact CG1-CE2 4.15Å; V820-F825 HydrophobicContact CG1-CZ 3.97Å |
| 821 | P | 79.3 | Confident | 81.7 | Confident | 41 Ų | 41 | 46 Ų | 46 | 27% | 0.266 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -66.7 | 132.7 | 170.9 | -17.9 | 32.4 | 0 | 0 | 0 | 109.7 | V796 I819 G823 Y824 | V796-P821 HydrophobicContact CG1-CB 4.02Å; V796-P821 HydrophobicContact CG1-CG 4.1Å; V796-P821 HydrophobicContact CG2-CB 4.29Å; I819-P821 WeakPolarHBondContact O-CD 3.3Å; P821-G823 VanDerWaalsContact C-N 3.31Å; P821-G823 PolarHBondContact O-N 3.16Å; P821-Y824 WeakPolarHBondContact O-CB 3.1Å; P821-Y824 PolarHBondContact O-N 3.45Å |
| 822 | F | 75.8 | Confident | 82.3 | Confident | 78 Ų | 78 | 45.8 Ų | 45.8 | 34% | 0.342 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -53 | -43.8 | -173.4 | -173.6 | -94.6 | 0 | 0 | 0 | 113.6 | V759 E762 A763 L793 Y824 F825 | V759-F822 HydrophobicContact CG1-CE1 3.86Å; V759-F822 HydrophobicContact CG1-CZ 3.86Å; V759-F822 WeakPolarHBondContact O-CZ 3.49Å; E762-F822 HydrophobicContact CB-CE2 4.29Å; E762-F822 HydrophobicContact CB-CZ 4.13Å; A763-F822 HydrophobicContact CB-CE1 3.99Å; A763-F822 HydrophobicContact CB-CZ 4.24Å; L793-F822 HydrophobicContact CD2-CD1 3.85Å; L793-F822 HydrophobicContact CD2-CE1 3.73Å; F822-Y824 PolarHBondContact O-N 3.25Å; F822-F825 PolarHBondContact O-N 3.47Å |
| 823 | G | 79.7 | Confident | 83.1 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 7% | 0.072 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.6 | -13.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | P821 L826 T827 | P821-G823 VanDerWaalsContact C-N 3.31Å; P821-G823 PolarHBondContact O-N 3.16Å; G823-L826 PolarHBondContact O-N 3.45Å; G823-T827 PolarHBondContact O-N 3.37Å; G823-T827 PolarHBondContact O-OG1 3.2Å |
| 824 | Y | 86.4 | Confident | 84.1 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 3% | 0.027 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.7 | -39.1 | 176.1 | -171.4 | -109.2 | 0 | 0 | 0 | 111.5 | A712 E716 V796 L798 Y808 V820 P821 F822 L826 T827 V828 | A712-Y824 HydrophobicContact CB-CD1 4.38Å; A712-Y824 HydrophobicContact CB-CE1 4.33Å; E716-Y824 WeakPolarHBondContact OE1-CE1 3.45Å; E716-Y824 PolarHBondContact OE1-OH 3.38Å; V796-Y824 WeakPolarHBondContact O-CD2 3.49Å; L798-Y824 HydrophobicContact CD1-CD2 4.07Å; L798-Y824 HydrophobicContact CD1-CE2 3.61Å; L798-Y824 HydrophobicContact CG-CD2 4.08Å; L798-Y824 HydrophobicContact CG-CE2 3.89Å; Y808-Y824 HydrophobicContact CD2-CD1 4.36Å; Y808-Y824 AromaticContact CD2-CE1 3.7Å; Y808-Y824 HydrophobicContact CD2-CE1 3.7Å; Y808-Y824 HydrophobicContact CE2-CD1 4.13Å; Y808-Y824 AromaticContact CE2-CE1 3.92Å; Y808-Y824 HydrophobicContact CE2-CE1 3.92Å; V820-Y824 HydrophobicContact CG1-CD1 4.17Å; P821-Y824 WeakPolarHBondContact O-CB 3.1Å; P821-Y824 PolarHBondContact O-N 3.45Å; F822-Y824 PolarHBondContact O-N 3.25Å; Y824-L826 VanDerWaalsContact C-N 3.34Å; Y824-L826 PolarHBondContact O-N 3.09Å; Y824-T827 WeakPolarHBondContact O-CB 3.39Å; Y824-T827 PolarHBondContact O-N 2.97Å; Y824-T827 VanDerWaalsContact O-N 3.11Å; Y824-V828 HydrophobicContact CD1-CG2 4.26Å; Y824-V828 HydrophobicContact CE1-CG2 3.82Å; Y824-V828 HydrophobicContact CE2-CG2 4.27Å; Y824-V828 PolarHBondContact O-N 2.92Å |
| 825 | F | 88.6 | Confident | 85.2 | Confident | 8 Ų | 8 | 34.5 Ų | 34.5 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.9 | -46.8 | 175 | -72.3 | -48.3 | 0 | 0 | 0 | 112.5 | D708 R711 A712 L715 F755 V759 V820 F822 T827 V828 A829 | D708-F825 HydrophobicContact CB-CE2 4.31Å; D708-F825 HydrophobicContact CB-CZ 3.7Å; D708-F825 WeakPolarHBondContact O-CE1 3.35Å; D708-F825 WeakPolarHBondContact O-CZ 3.26Å; R711-F825 HydrophobicContact CB-CE1 3.87Å; R711-F825 HydrophobicContact CB-CZ 4.27Å; A712-F825 HydrophobicContact CB-CD1 4.47Å; A712-F825 HydrophobicContact CB-CE1 3.99Å; L715-F825 HydrophobicContact CD1-CD1 4.02Å; F755-F825 HydrophobicContact CE1-CB 3.93Å; F755-F825 HydrophobicContact CE1-CD1 4.3Å; F755-F825 HydrophobicContact CE1-CG 4.31Å; F755-F825 HydrophobicContact CZ-CB 3.99Å; F755-F825 AromaticContact CZ-CD1 3.64Å; F755-F825 HydrophobicContact CZ-CD1 3.64Å; F755-F825 HydrophobicContact CZ-CE1 4.14Å; F755-F825 AromaticContact CZ-CG 3.85Å; F755-F825 HydrophobicContact CZ-CG 3.85Å; V759-F825 HydrophobicContact CG2-CB 4.18Å; V820-F825 HydrophobicContact CB-CZ 4.48Å; V820-F825 HydrophobicContact CG1-CD1 4.4Å; V820-F825 HydrophobicContact CG1-CD2 4.47Å; V820-F825 HydrophobicContact CG1-CE1 4.08Å; V820-F825 HydrophobicContact CG1-CE2 4.15Å; V820-F825 HydrophobicContact CG1-CZ 3.97Å; F822-F825 PolarHBondContact O-N 3.47Å; F825-T827 VanDerWaalsContact C-N 3.28Å; F825-T827 PolarHBondContact O-N 3.18Å; F825-V828 PolarHBondContact O-N 3.19Å; F825-A829 WeakPolarHBondContact O-CB 3.16Å; F825-A829 PolarHBondContact O-N 3.38Å |
| 826 | L | 86.4 | Confident | 86.3 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.1 | -27.3 | 178.3 | -172.7 | 53.8 | 0 | 0 | 0 | 112.2 | T756 V759 F760 F786 L793 G823 Y824 Y830 M872 | T756-L826 HydrophobicContact CG2-CD1 4.45Å; V759-L826 HydrophobicContact CG1-CB 4.28Å; F760-L826 HydrophobicContact CD2-CD1 4.43Å; F760-L826 HydrophobicContact CE1-CD2 3.85Å; F760-L826 HydrophobicContact CE2-CD1 3.61Å; F760-L826 HydrophobicContact CE2-CD2 4.34Å; F760-L826 HydrophobicContact CZ-CD1 3.71Å; F760-L826 HydrophobicContact CZ-CD2 3.7Å; F760-L826 HydrophobicContact CZ-CG 4.34Å; F786-L826 HydrophobicContact CB-CD2 4.34Å; F786-L826 HydrophobicContact CD2-CD2 3.35Å; F786-L826 HydrophobicContact CD2-CG 3.8Å; F786-L826 HydrophobicContact CE2-CD1 4.38Å; F786-L826 HydrophobicContact CE2-CD2 3.85Å; F786-L826 HydrophobicContact CE2-CG 3.74Å; F786-L826 HydrophobicContact CG-CD2 4.02Å; L793-L826 HydrophobicContact CB-CD2 4.13Å; L793-L826 HydrophobicContact CD1-CD2 3.95Å; G823-L826 PolarHBondContact O-N 3.45Å; Y824-L826 VanDerWaalsContact C-N 3.34Å; Y824-L826 PolarHBondContact O-N 3.09Å; L826-Y830 VanDerWaalsContact O-CB 3.29Å; L826-Y830 WeakPolarHBondContact O-CB 3.01Å; L826-Y830 PolarHBondContact O-N 3.43Å; L826-M872 HydrophobicContact CD1-CE 4.2Å |
| 827 | T | 89.1 | Confident | 87.1 | Confident | 12 Ų | 12 | 24.8 Ų | 24.8 | 7% | 0.074 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.5 | -51.6 | 173.4 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | L795 V796 G823 Y824 F825 A829 Y830 D831 | L795-T827 WeakPolarHBondContact CA-OG1 3.5Å; L795-T827 HydrophobicContact CD2-CG2 4.13Å; V796-T827 PolarHBondContact N-OG1 2.73Å; G823-T827 PolarHBondContact O-N 3.37Å; G823-T827 PolarHBondContact O-OG1 3.2Å; Y824-T827 WeakPolarHBondContact O-CB 3.39Å; Y824-T827 PolarHBondContact O-N 2.97Å; Y824-T827 VanDerWaalsContact O-N 3.11Å; F825-T827 VanDerWaalsContact C-N 3.28Å; F825-T827 PolarHBondContact O-N 3.18Å; T827-A829 VanDerWaalsContact C-N 3.33Å; T827-A829 PolarHBondContact O-N 2.66Å; T827-Y830 WeakPolarHBondContact O-CB 3.42Å; T827-Y830 PolarHBondContact O-N 2.96Å; T827-D831 PolarHBondContact O-N 3.4Å |
| 828 | V | 90.2 | Very high | 87.8 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.5 | -33.6 | 178.7 | -169.2 | 0 | 0 | 0 | 0 | 111.3 | L715 E719 Y824 F825 D831 I832 | L715-V828 HydrophobicContact CB-CB 4.15Å; L715-V828 HydrophobicContact CB-CG1 3.65Å; E719-V828 HydrophobicContact CB-CG1 4.28Å; Y824-V828 HydrophobicContact CD1-CG2 4.26Å; Y824-V828 HydrophobicContact CE1-CG2 3.82Å; Y824-V828 HydrophobicContact CE2-CG2 4.27Å; Y824-V828 PolarHBondContact O-N 2.92Å; F825-V828 PolarHBondContact O-N 3.19Å; V828-D831 PolarHBondContact O-N 3.49Å; V828-I832 HydrophobicContact CG1-CD1 4.16Å; V828-I832 HydrophobicContact CG1-CG1 4.42Å; V828-I832 WeakPolarHBondContact O-CB 3.39Å; V828-I832 WeakPolarHBondContact O-CD1 3.49Å; V828-I832 WeakPolarHBondContact O-CG1 3.41Å; V828-I832 PolarHBondContact O-N 3.43Å |
| 829 | A | 91.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F825 T827 T833 M872 | F825-A829 WeakPolarHBondContact O-CB 3.16Å; F825-A829 PolarHBondContact O-N 3.38Å; T827-A829 VanDerWaalsContact C-N 3.33Å; T827-A829 PolarHBondContact O-N 2.66Å; A829-T833 WeakPolarHBondContact O-CB 3.11Å; A829-T833 PolarHBondContact O-N 2.77Å; A829-T833 PolarHBondContact O-OG1 2.65Å; A829-M872 HydrophobicContact CB-CE 4.07Å |
| 830 | Y | 91.5 | Very high | 89 | Confident | 26 Ų | 26 | 18.5 Ų | 18.5 | 10% | 0.102 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64 | -43 | 172.9 | 169 | -94.1 | 0 | 0 | 0 | 111.7 | F786 L826 T827 T833 C834 M872 I881 T884 L885 | F786-Y830 HydrophobicContact CZ-CD2 4.15Å; L826-Y830 VanDerWaalsContact O-CB 3.29Å; L826-Y830 WeakPolarHBondContact O-CB 3.01Å; L826-Y830 PolarHBondContact O-N 3.43Å; T827-Y830 WeakPolarHBondContact O-CB 3.42Å; T827-Y830 PolarHBondContact O-N 2.96Å; Y830-T833 PolarHBondContact O-N 2.88Å; Y830-C834 WeakPolarHBondContact O-CB 3.36Å; Y830-C834 PolarHBondContact O-N 2.77Å; Y830-C834 PolarHBondContact O-SG 3.06Å; Y830-M872 HydrophobicContact CD2-SD 4Å; Y830-I881 HydrophobicContact CE2-CG2 4.05Å; Y830-T884 WeakPolarHBondContact OH-CG2 3.35Å; Y830-L885 HydrophobicContact CD2-CD2 4.06Å; Y830-L885 HydrophobicContact CE2-CD2 3.87Å; Y830-L885 HydrophobicContact CE2-CG 4.05Å |
| 831 | D | 91.6 | Very high | 89.4 | Confident | 59 Ų | 59 | 21.1 Ų | 21.1 | 32% | 0.316 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 177.1 | -74.6 | -27.3 | 0 | 0 | 0 | 112.1 | E719 T827 V828 T833 C834 A835 | E719-D831 HydrophobicContact CG-CB 4.28Å; T827-D831 PolarHBondContact O-N 3.4Å; V828-D831 PolarHBondContact O-N 3.49Å; D831-T833 PolarHBondContact O-N 3.01Å; D831-C834 WeakPolarHBondContact O-CB 3.11Å; D831-C834 PolarHBondContact O-N 3.3Å; D831-A835 VanDerWaalsContact O-CB 3.26Å; D831-A835 WeakPolarHBondContact O-CB 3.35Å; D831-A835 PolarHBondContact O-N 2.95Å |
| 832 | I | 94.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56.5 | -49.5 | 171.6 | -69.6 | 160.2 | 0 | 0 | 0 | 110.3 | L715 I718 E719 V722 M749 V752 V828 C834 A835 T836 | L715-I832 HydrophobicContact CB-CD1 4.15Å; L715-I832 HydrophobicContact CD2-CD1 3.74Å; I718-I832 HydrophobicContact CB-CD1 4.41Å; I718-I832 HydrophobicContact CG2-CD1 4.13Å; I718-I832 HydrophobicContact CG2-CG1 4.43Å; I718-I832 HydrophobicContact CG2-CG2 4.42Å; E719-I832 HydrophobicContact CB-CG1 3.71Å; E719-I832 HydrophobicContact CG-CG1 4.28Å; V722-I832 HydrophobicContact CG2-CG2 4.02Å; M749-I832 HydrophobicContact CE-CG2 3.74Å; V752-I832 HydrophobicContact CG1-CB 4.48Å; V752-I832 HydrophobicContact CG1-CD1 4.33Å; V752-I832 HydrophobicContact CG1-CG2 3.94Å; V752-I832 HydrophobicContact CG2-CD1 4.34Å; V752-I832 HydrophobicContact CG2-CG2 4.36Å; V828-I832 HydrophobicContact CG1-CD1 4.16Å; V828-I832 HydrophobicContact CG1-CG1 4.42Å; V828-I832 WeakPolarHBondContact O-CB 3.39Å; V828-I832 WeakPolarHBondContact O-CD1 3.49Å; V828-I832 WeakPolarHBondContact O-CG1 3.41Å; V828-I832 PolarHBondContact O-N 3.43Å; I832-C834 VanDerWaalsContact C-N 3.34Å; I832-C834 PolarHBondContact O-N 3.14Å; I832-A835 PolarHBondContact O-N 3.13Å; I832-A835 VanDerWaalsContact O-N 3.13Å; I832-T836 PolarHBondContact O-N 2.85Å; I832-T836 PolarHBondContact O-OG1 2.88Å |
| 833 | T | 92.7 | Very high | 90.3 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 3% | 0.025 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.7 | -42.7 | -179.3 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | A829 Y830 D831 V865 V869 L888 | A829-T833 WeakPolarHBondContact O-CB 3.11Å; A829-T833 PolarHBondContact O-N 2.77Å; A829-T833 PolarHBondContact O-OG1 2.65Å; Y830-T833 PolarHBondContact O-N 2.88Å; D831-T833 PolarHBondContact O-N 3.01Å; T833-V865 HydrophobicContact CG2-CG1 4.34Å; T833-V869 HydrophobicContact CG2-CG2 3.42Å; T833-V869 VanDerWaalsContact CG2-CG2 3.42Å; T833-L888 HydrophobicContact CG2-CD1 4.36Å |
| 834 | C | 93 | Very high | 90.6 | Very high | 6 Ų | 6 | 22.4 Ų | 22.4 | 4% | 0.041 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62 | -41.1 | 172.8 | -74.8 | 0 | 0 | 0 | 0 | 112.9 | Y830 D831 I832 K838 L888 | Y830-C834 WeakPolarHBondContact O-CB 3.36Å; Y830-C834 PolarHBondContact O-N 2.77Å; Y830-C834 PolarHBondContact O-SG 3.06Å; D831-C834 WeakPolarHBondContact O-CB 3.11Å; D831-C834 PolarHBondContact O-N 3.3Å; I832-C834 VanDerWaalsContact C-N 3.34Å; I832-C834 PolarHBondContact O-N 3.14Å; C834-K838 VanDerWaalsContact O-CD 3.23Å; C834-K838 WeakPolarHBondContact O-CD 3.24Å; C834-K838 WeakPolarHBondContact O-CG 3.3Å; C834-K838 PolarHBondContact O-N 3.11Å; C834-L888 HydrophobicContact CB-CD1 4.47Å |
| 835 | A | 93.7 | Very high | 90.4 | Very high | 11 Ų | 11 | 25.4 Ų | 25.4 | 9% | 0.091 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70.2 | -47.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112 | V722 S723 D831 I832 V837 K838 S839 | V722-A835 HydrophobicContact CG2-CB 3.77Å; S723-A835 WeakPolarHBondContact OG-CB 3.21Å; D831-A835 VanDerWaalsContact O-CB 3.26Å; D831-A835 WeakPolarHBondContact O-CB 3.35Å; D831-A835 PolarHBondContact O-N 2.95Å; I832-A835 PolarHBondContact O-N 3.13Å; I832-A835 VanDerWaalsContact O-N 3.13Å; A835-V837 PolarHBondContact O-N 2.89Å; A835-K838 PolarHBondContact O-N 3.11Å; A835-S839 PolarHBondContact O-N 3.04Å; A835-S839 PolarHBondContact O-OG 3.32Å |
| 836 | T | 93.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.3 | -47.7 | 179.9 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | V722 M749 I832 S839 L840 V865 | V722-T836 WeakPolarHBondContact CB-OG1 3.46Å; M749-T836 HydrophobicContact SD-CG2 3.84Å; M749-T836 PolarHBondContact SD-OG1 3.07Å; M749-T836 VanDerWaalsContact SD-OG1 3.36Å; I832-T836 PolarHBondContact O-N 2.85Å; I832-T836 PolarHBondContact O-OG1 2.88Å; T836-S839 PolarHBondContact O-N 3.24Å; T836-L840 HydrophobicContact CG2-CD1 3.96Å; T836-L840 VanDerWaalsContact O-CG 3.31Å; T836-L840 WeakPolarHBondContact O-CG 3.5Å; T836-L840 PolarHBondContact O-N 2.93Å; T836-V865 HydrophobicContact CG2-CG2 3.92Å |
| 837 | V | 94 | Very high | 88.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.7 | -45.6 | 179.8 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | A835 S839 L840 E841 V865 L888 M892 | A835-V837 PolarHBondContact O-N 2.89Å; V837-S839 VanDerWaalsContact C-N 3.27Å; V837-S839 PolarHBondContact O-N 3.23Å; V837-L840 PolarHBondContact O-N 3.46Å; V837-L840 VanDerWaalsContact O-N 3.17Å; V837-E841 WeakPolarHBondContact O-CG 3.45Å; V837-E841 PolarHBondContact O-N 2.83Å; V837-V865 HydrophobicContact CG2-CG1 3.65Å; V837-L888 HydrophobicContact CB-CD2 4.12Å; V837-L888 HydrophobicContact CG1-CB 4.37Å; V837-L888 HydrophobicContact CG1-CD2 4.24Å; V837-L888 HydrophobicContact CG2-CB 4.38Å; V837-M892 HydrophobicContact CG1-CG 4.08Å; V837-M892 HydrophobicContact CG1-SD 4.31Å; V837-M892 HydrophobicContact CG2-CG 3.92Å; V837-M892 HydrophobicContact CG2-SD 3.87Å |
| 838 | K | 93.1 | Very high | 87.1 | Confident | 98 Ų | 98 | 40.9 Ų | 40.9 | 43% | 0.426 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.3 | -33.8 | 177.9 | -69.7 | 167.3 | -166.3 | 170.5 | 0 | 112.3 | C834 A835 R842 | C834-K838 VanDerWaalsContact O-CD 3.23Å; C834-K838 WeakPolarHBondContact O-CD 3.24Å; C834-K838 WeakPolarHBondContact O-CG 3.3Å; C834-K838 PolarHBondContact O-N 3.11Å; A835-K838 PolarHBondContact O-N 3.11Å; K838-R842 WeakPolarHBondContact O-CG 2.99Å; K838-R842 PolarHBondContact O-N 3.28Å; K838-R842 VanDerWaalsContact O-N 3.15Å |
| 839 | S | 91.4 | Very high | 85.5 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.9 | -45.7 | 173.1 | -71.9 | 0 | 0 | 0 | 0 | 111.7 | V722 A835 T836 V837 E841 R842 I843 | V722-S839 WeakPolarHBondContact O-CB 3.3Å; V722-S839 PolarHBondContact O-OG 2.99Å; A835-S839 PolarHBondContact O-N 3.04Å; A835-S839 PolarHBondContact O-OG 3.32Å; T836-S839 PolarHBondContact O-N 3.24Å; V837-S839 VanDerWaalsContact C-N 3.27Å; V837-S839 PolarHBondContact O-N 3.23Å; S839-E841 VanDerWaalsContact C-N 3.3Å; S839-E841 PolarHBondContact O-N 3.25Å; S839-R842 PolarHBondContact O-N 2.95Å; S839-I843 WeakPolarHBondContact O-CD1 3.45Å; S839-I843 WeakPolarHBondContact O-CG1 3.48Å; S839-I843 PolarHBondContact O-N 3.31Å |
| 840 | L | 91.4 | Very high | 84.5 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -36 | 175.2 | -67.5 | 164.1 | 0 | 0 | 0 | 112.6 | T836 V837 S844 M857 L858 M892 L895 | T836-L840 HydrophobicContact CG2-CD1 3.96Å; T836-L840 VanDerWaalsContact O-CG 3.31Å; T836-L840 WeakPolarHBondContact O-CG 3.5Å; T836-L840 PolarHBondContact O-N 2.93Å; V837-L840 PolarHBondContact O-N 3.46Å; V837-L840 VanDerWaalsContact O-N 3.17Å; L840-S844 WeakPolarHBondContact O-CB 3.48Å; L840-S844 PolarHBondContact O-N 3.47Å; L840-M857 HydrophobicContact CD2-CB 3.99Å; L840-M857 HydrophobicContact CD2-CE 4.43Å; L840-L858 HydrophobicContact CD1-CD2 4.21Å; L840-M892 HydrophobicContact CD1-SD 4.46Å; L840-L895 HydrophobicContact CB-CD1 3.76Å |
| 841 | E | 89.5 | Confident | 83.9 | Confident | 74 Ų | 74 | 56.2 Ų | 56.2 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 172.2 | -74.1 | -173.4 | 121.6 | 0 | 0 | 112.9 | V837 S839 S844 A845 S891 L895 | V837-E841 WeakPolarHBondContact O-CG 3.45Å; V837-E841 PolarHBondContact O-N 2.83Å; S839-E841 VanDerWaalsContact C-N 3.3Å; S839-E841 PolarHBondContact O-N 3.25Å; E841-S844 PolarHBondContact O-N 2.95Å; E841-A845 PolarHBondContact O-N 3.34Å; E841-S891 VanDerWaalsContact CD-OG 3.25Å; E841-S891 WeakPolarHBondContact OE1-CB 3.02Å; E841-S891 PolarHBondContact OE1-OG 3.47Å; E841-L895 HydrophobicContact CG-CD1 4.32Å |
| 842 | R | 88.1 | Confident | 83.5 | Confident | 133 Ų | 133 | 58 Ų | 58 | 50% | 0.502 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 176 | -73.3 | 173.7 | -178.3 | 169.1 | 0.8 | 111.5 | P725 K838 S839 S844 A845 E846 | P725-R842 HydrophobicContact CB-CB 4.39Å; P725-R842 HydrophobicContact CG-CB 4.07Å; K838-R842 WeakPolarHBondContact O-CG 2.99Å; K838-R842 PolarHBondContact O-N 3.28Å; K838-R842 VanDerWaalsContact O-N 3.15Å; S839-R842 PolarHBondContact O-N 2.95Å; R842-S844 VanDerWaalsContact C-N 3.33Å; R842-S844 PolarHBondContact O-N 2.95Å; R842-A845 WeakPolarHBondContact O-CB 3.41Å; R842-A845 PolarHBondContact O-N 2.92Å; R842-E846 WeakPolarHBondContact O-CG 3.34Å; R842-E846 PolarHBondContact O-N 2.91Å |
| 843 | I | 86.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.3 | -50.5 | 174.2 | -64.4 | 164.9 | 0 | 0 | 0 | 109.5 | P725 Q729 S839 A845 E846 T847 L854 M857 | P725-I843 HydrophobicContact CB-CD1 4.37Å; P725-I843 HydrophobicContact CB-CG1 3.95Å; Q729-I843 HydrophobicContact CG-CD1 3.93Å; Q729-I843 HydrophobicContact CG-CG1 3.91Å; Q729-I843 HydrophobicContact CG-CG2 4.25Å; S839-I843 WeakPolarHBondContact O-CD1 3.45Å; S839-I843 WeakPolarHBondContact O-CG1 3.48Å; S839-I843 PolarHBondContact O-N 3.31Å; I843-A845 PolarHBondContact O-N 3.01Å; I843-A845 VanDerWaalsContact O-N 3.16Å; I843-E846 PolarHBondContact O-N 2.78Å; I843-E846 VanDerWaalsContact O-N 3.17Å; I843-T847 HydrophobicContact CG2-CG2 4.47Å; I843-T847 PolarHBondContact O-N 2.81Å; I843-T847 PolarHBondContact O-OG1 3Å; I843-L854 HydrophobicContact CG2-CD1 4.3Å; I843-M857 HydrophobicContact CD1-CE 3.52Å; I843-M857 HydrophobicContact CD1-SD 3.91Å; I843-M857 HydrophobicContact CG2-SD 4.4Å |
| 844 | S | 85.8 | Confident | 82.8 | Confident | 20 Ų | 20 | 58.5 Ų | 58.5 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.3 | -23.1 | 176.5 | 170.9 | 0 | 0 | 0 | 0 | 114.8 | L840 E841 R842 L895 K898 | L840-S844 WeakPolarHBondContact O-CB 3.48Å; L840-S844 PolarHBondContact O-N 3.47Å; E841-S844 PolarHBondContact O-N 2.95Å; R842-S844 VanDerWaalsContact C-N 3.33Å; R842-S844 PolarHBondContact O-N 2.95Å; S844-L895 VanDerWaalsContact CB-CD2 3.42Å; S844-K898 VanDerWaalsContact OG-CD 3.31Å; S844-K898 WeakPolarHBondContact OG-CD 3.29Å; S844-K898 PolarHBondContact OG-NZ 2.98Å |
| 845 | A | 82.4 | Confident | 82.5 | Confident | 70 Ų | 70 | 62.6 Ų | 62.6 | 58% | 0.579 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -86.8 | -34.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E841 R842 I843 | E841-A845 PolarHBondContact O-N 3.34Å; R842-A845 WeakPolarHBondContact O-CB 3.41Å; R842-A845 PolarHBondContact O-N 2.92Å; I843-A845 PolarHBondContact O-N 3.01Å; I843-A845 VanDerWaalsContact O-N 3.16Å |
| 846 | E | 73.4 | Confident | 82.2 | Confident | 115 Ų | 115 | 65.4 Ų | 65.4 | 54% | 0.537 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -82.9 | -49.2 | -177.6 | -69.7 | 165.9 | -164.8 | 0 | 0 | 112 | R842 I843 K848 | R842-E846 WeakPolarHBondContact O-CG 3.34Å; R842-E846 PolarHBondContact O-N 2.91Å; I843-E846 PolarHBondContact O-N 2.78Å; I843-E846 VanDerWaalsContact O-N 3.17Å; E846-K848 VanDerWaalsContact C-N 3.33Å; E846-K848 PolarHBondContact O-N 2.72Å |
| 847 | T | 63.6 | Low | 82 | Confident | 35 Ų | 35 | 65.4 Ų | 65.4 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | trans | -83.4 | 69.7 | -176.8 | 60 | 0 | 0 | 0 | 0 | 112.7 | I843 Q849 | I843-T847 HydrophobicContact CG2-CG2 4.47Å; I843-T847 PolarHBondContact O-N 2.81Å; I843-T847 PolarHBondContact O-OG1 3Å; T847-Q849 PolarHBondContact O-N 2.82Å; T847-Q849 VanDerWaalsContact O-N 3.09Å | ||
| 848 | K | 58.6 | Low | 81.8 | Confident | 200 Ų | 200 | 65.4 Ų | 65.4 | 87% | 0.87 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -60.3 | -13 | 169.9 | -75.6 | -170.4 | 177.4 | -178.5 | 0 | 114.7 | E846 | E846-K848 VanDerWaalsContact C-N 3.33Å; E846-K848 PolarHBondContact O-N 2.72Å |
| 849 | Q | 55.5 | Low | 81.7 | Confident | 199 Ų | 199 | 64.1 Ų | 64.1 | 93% | 0.93 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -114.4 | -19.1 | -175.8 | -71.7 | -177.5 | -31.7 | 0 | 0 | 114.8 | T847 | T847-Q849 PolarHBondContact O-N 2.82Å; T847-Q849 VanDerWaalsContact O-N 3.09Å |
| 850 | D | 70 | Confident | 81.5 | Confident | 64 Ų | 64 | 64.3 Ų | 64.3 | 34% | 0.342 | 32% | 0.319 | S | S | . | . | trans | -114.1 | 73.3 | -175.5 | -158.8 | -18.7 | 0 | 0 | 0 | 112.7 | V852 L853 L854 | D850-V852 PolarHBondContact O-N 3.27Å; D850-V852 PolarHBondContact OD1-N 2.81Å; D850-V852 VanDerWaalsContact OD1-N 3.16Å; D850-L853 HydrophobicContact CB-CB 4.24Å; D850-L853 VanDerWaalsContact CG-CB 3.47Å; D850-L853 WeakPolarHBondContact OD1-CB 3.47Å; D850-L853 PolarHBondContact OD1-N 2.91Å; D850-L854 PolarHBondContact O-N 3.31Å | ||
| 851 | L | 79.1 | Confident | 81.6 | Confident | 87 Ų | 87 | 64.4 Ų | 64.4 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.2 | -16.1 | 173.1 | -154.4 | 79.5 | 0 | 0 | 0 | 112.3 | K855 | L851-K855 WeakPolarHBondContact O-CB 3.38Å; L851-K855 VanDerWaalsContact O-CG 3.25Å; L851-K855 WeakPolarHBondContact O-CG 3.4Å; L851-K855 PolarHBondContact O-N 3.16Å; L851-K855 VanDerWaalsContact O-N 3.08Å |
| 852 | V | 83.1 | Confident | 81.8 | Confident | 97 Ų | 97 | 61.4 Ų | 61.4 | 59% | 0.588 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -78.8 | -45.3 | -178.4 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | M737 D850 K855 R856 | M737-V852 HydrophobicContact CE-CG1 4.44Å; D850-V852 PolarHBondContact O-N 3.27Å; D850-V852 PolarHBondContact OD1-N 2.81Å; D850-V852 VanDerWaalsContact OD1-N 3.16Å; V852-K855 PolarHBondContact O-N 2.79Å; V852-R856 PolarHBondContact O-N 3.39Å |
| 853 | L | 86.6 | Confident | 82.1 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.8 | -50.2 | 170.8 | 177 | 58.2 | 0 | 0 | 0 | 110.8 | Q729 C732 V733 M737 D850 K855 R856 M857 | Q729-L853 HydrophobicContact CB-CD2 4.28Å; Q729-L853 HydrophobicContact CG-CD2 4.12Å; C732-L853 HydrophobicContact CB-CD1 3.89Å; V733-L853 HydrophobicContact CG2-CD1 3.81Å; V733-L853 HydrophobicContact CG2-CD2 4.28Å; M737-L853 HydrophobicContact SD-CD1 3.81Å; D850-L853 HydrophobicContact CB-CB 4.24Å; D850-L853 VanDerWaalsContact CG-CB 3.47Å; D850-L853 WeakPolarHBondContact OD1-CB 3.47Å; D850-L853 PolarHBondContact OD1-N 2.91Å; L853-K855 VanDerWaalsContact C-N 3.34Å; L853-K855 PolarHBondContact O-N 3Å; L853-R856 PolarHBondContact O-N 2.86Å; L853-M857 HydrophobicContact CD1-CG 3.93Å; L853-M857 HydrophobicContact CD1-SD 3.84Å; L853-M857 HydrophobicContact CG-CG 4.4Å; L853-M857 HydrophobicContact CG-SD 3.96Å; L853-M857 WeakPolarHBondContact O-CB 3.35Å; L853-M857 VanDerWaalsContact O-CG 3.3Å; L853-M857 WeakPolarHBondContact O-CG 3.4Å; L853-M857 PolarHBondContact O-N 3.03Å |
| 854 | L | 86.2 | Confident | 82.4 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 179.3 | -178.1 | 62.6 | 0 | 0 | 0 | 112.3 | I843 D850 M857 L858 L895 | I843-L854 HydrophobicContact CG2-CD1 4.3Å; D850-L854 PolarHBondContact O-N 3.31Å; L854-M857 PolarHBondContact O-N 3.26Å; L854-L858 HydrophobicContact CD1-CD1 4.25Å; L854-L858 HydrophobicContact CD1-CG 4.39Å; L854-L858 HydrophobicContact CG-CD1 4.07Å; L854-L858 VanDerWaalsContact O-CG 3.28Å; L854-L858 WeakPolarHBondContact O-CG 3.27Å; L854-L858 PolarHBondContact O-N 2.67Å; L854-L895 HydrophobicContact CD1-CD2 4.36Å |
| 855 | K | 87.5 | Confident | 82.8 | Confident | 91 Ų | 91 | 59.5 Ų | 59.5 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.4 | -53.6 | 173 | -83.8 | 174.8 | 168.9 | -171.8 | 0 | 111.7 | L851 V852 L853 M857 L858 D859 A899 | L851-K855 WeakPolarHBondContact O-CB 3.38Å; L851-K855 VanDerWaalsContact O-CG 3.25Å; L851-K855 WeakPolarHBondContact O-CG 3.4Å; L851-K855 PolarHBondContact O-N 3.16Å; L851-K855 VanDerWaalsContact O-N 3.08Å; V852-K855 PolarHBondContact O-N 2.79Å; L853-K855 VanDerWaalsContact C-N 3.34Å; L853-K855 PolarHBondContact O-N 3Å; K855-M857 VanDerWaalsContact C-N 3.32Å; K855-M857 PolarHBondContact O-N 2.9Å; K855-L858 PolarHBondContact O-N 3.39Å; K855-D859 WeakPolarHBondContact O-CB 3.36Å; K855-D859 PolarHBondContact O-N 2.94Å; K855-A899 WeakPolarHBondContact CE-O 3.11Å; K855-A899 HydrophobicContact CG-CB 4.11Å; K855-A899 PolarHBondContact NZ-O 2.92Å |
| 856 | R | 87.4 | Confident | 83.3 | Confident | 71 Ų | 71 | 56.3 Ų | 56.3 | 27% | 0.268 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.5 | -36 | -176.5 | -171.6 | 66.7 | -169.5 | 137 | 18.6 | 112.5 | D736 M737 E746 V852 L853 A860 | D736-R856 PolarHBondContact O-NE 3.37Å; D736-R856 PolarHBondContact O-NH2 3.07Å; M737-R856 HydrophobicContact CG-CB 4.34Å; M737-R856 HydrophobicContact CG-CG 3.94Å; E746-R856 IonicContact OE2-NH2 2.69Å; V852-R856 PolarHBondContact O-N 3.39Å; L853-R856 PolarHBondContact O-N 2.86Å; R856-A860 WeakPolarHBondContact O-CB 3.4Å; R856-A860 PolarHBondContact O-N 2.95Å; R856-A860 VanDerWaalsContact O-N 3.11Å |
| 857 | M | 89 | Confident | 84.3 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 174.3 | -70.1 | -174.9 | 80.1 | 0 | 0 | 112 | L728 Q729 C732 L840 I843 L853 L854 K855 C861 | L728-M857 HydrophobicContact CB-CE 3.92Å; L728-M857 HydrophobicContact CD2-CE 3.74Å; L728-M857 HydrophobicContact CG-CE 3.51Å; L728-M857 WeakPolarHBondContact O-CE 3.28Å; Q729-M857 HydrophobicContact CG-SD 4.34Å; C732-M857 HydrophobicContact CB-CE 4.37Å; C732-M857 HydrophobicContact CB-CG 3.66Å; C732-M857 HydrophobicContact CB-SD 4.18Å; C732-M857 WeakPolarHBondContact SG-CG 3.41Å; L840-M857 HydrophobicContact CD2-CB 3.99Å; L840-M857 HydrophobicContact CD2-CE 4.43Å; I843-M857 HydrophobicContact CD1-CE 3.52Å; I843-M857 HydrophobicContact CD1-SD 3.91Å; I843-M857 HydrophobicContact CG2-SD 4.4Å; L853-M857 HydrophobicContact CD1-CG 3.93Å; L853-M857 HydrophobicContact CD1-SD 3.84Å; L853-M857 HydrophobicContact CG-CG 4.4Å; L853-M857 HydrophobicContact CG-SD 3.96Å; L853-M857 WeakPolarHBondContact O-CB 3.35Å; L853-M857 VanDerWaalsContact O-CG 3.3Å; L853-M857 WeakPolarHBondContact O-CG 3.4Å; L853-M857 PolarHBondContact O-N 3.03Å; L854-M857 PolarHBondContact O-N 3.26Å; K855-M857 VanDerWaalsContact C-N 3.32Å; K855-M857 PolarHBondContact O-N 2.9Å; M857-C861 PolarHBondContact O-N 3.09Å; M857-C861 PolarHBondContact O-SG 3.01Å |
| 858 | L | 90.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63 | -52 | 174.5 | -70.4 | 166.6 | 0 | 0 | 0 | 110.8 | L840 L854 K855 A860 C861 W862 L895 A899 M904 | L840-L858 HydrophobicContact CD1-CD2 4.21Å; L854-L858 HydrophobicContact CD1-CD1 4.25Å; L854-L858 HydrophobicContact CD1-CG 4.39Å; L854-L858 HydrophobicContact CG-CD1 4.07Å; L854-L858 VanDerWaalsContact O-CG 3.28Å; L854-L858 WeakPolarHBondContact O-CG 3.27Å; L854-L858 PolarHBondContact O-N 2.67Å; K855-L858 PolarHBondContact O-N 3.39Å; L858-A860 PolarHBondContact O-N 3.28Å; L858-A860 VanDerWaalsContact O-N 3.17Å; L858-C861 PolarHBondContact O-N 3.15Å; L858-W862 WeakPolarHBondContact O-CB 3.28Å; L858-W862 PolarHBondContact O-N 3.05Å; L858-L895 HydrophobicContact CD1-CB 4.14Å; L858-L895 HydrophobicContact CD2-CB 3.94Å; L858-L895 HydrophobicContact CD2-CD1 4.24Å; L858-A899 HydrophobicContact CD1-CB 3.69Å; L858-M904 HydrophobicContact CB-SD 4.48Å; L858-M904 HydrophobicContact CD2-CE 3.85Å; L858-M904 HydrophobicContact CD2-SD 4.28Å |
| 859 | D | 89.1 | Confident | 87.3 | Confident | 71 Ų | 71 | 41.7 Ų | 41.7 | 38% | 0.38 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -53.7 | -36.5 | -179.4 | -67.6 | -23.8 | 0 | 0 | 0 | 112.7 | K855 N901 | K855-D859 WeakPolarHBondContact O-CB 3.36Å; K855-D859 PolarHBondContact O-N 2.94Å; D859-N901 PolarHBondContact OD1-ND2 3.25Å |
| 860 | A | 88.9 | Confident | 89.1 | Confident | 6 Ų | 6 | 33 Ų | 33 | 5% | 0.05 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.8 | -37.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I745 E746 R856 L858 | I745-A860 HydrophobicContact CG2-CB 4.45Å; E746-A860 WeakPolarHBondContact CA-O 3.5Å; E746-A860 HydrophobicContact CB-CB 4.05Å; E746-A860 WeakPolarHBondContact CG-O 3.46Å; R856-A860 WeakPolarHBondContact O-CB 3.4Å; R856-A860 PolarHBondContact O-N 2.95Å; R856-A860 VanDerWaalsContact O-N 3.11Å; L858-A860 PolarHBondContact O-N 3.28Å; L858-A860 VanDerWaalsContact O-N 3.17Å |
| 861 | C | 92.9 | Very high | 90 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.02 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -116.6 | -18.1 | -168.9 | 71.4 | 0 | 0 | 0 | 0 | 116.1 | M749 M857 L858 K863 A864 V865 | M749-C861 HydrophobicContact CB-CB 4.03Å; M749-C861 HydrophobicContact CG-CB 3.78Å; M857-C861 PolarHBondContact O-N 3.09Å; M857-C861 PolarHBondContact O-SG 3.01Å; L858-C861 PolarHBondContact O-N 3.15Å; C861-K863 PolarHBondContact O-N 2.99Å; C861-A864 PolarHBondContact O-N 3.26Å; C861-V865 HydrophobicContact CB-CG2 4.18Å; C861-V865 WeakPolarHBondContact O-CG2 3.37Å; C861-V865 PolarHBondContact O-N 3.01Å |
| 862 | W | 93.8 | Very high | 90.6 | Very high | 10 Ų | 10 | 26.4 Ų | 26.4 | 4% | 0.038 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.3 | -37.7 | -163.1 | 77.8 | -102.2 | 0 | 0 | 0 | 113.8 | L858 L866 M892 E903 M904 T907 | L858-W862 WeakPolarHBondContact O-CB 3.28Å; L858-W862 PolarHBondContact O-N 3.05Å; W862-L866 HydrophobicContact CE3-CD2 4.08Å; W862-L866 HydrophobicContact CZ3-CD2 4.05Å; W862-L866 WeakPolarHBondContact O-CB 3.49Å; W862-L866 PolarHBondContact O-N 2.92Å; W862-M892 HydrophobicContact CB-CE 3.95Å; W862-E903 HydrophobicContact CH2-CB 4.24Å; W862-E903 HydrophobicContact CH2-CG 3.83Å; W862-E903 HydrophobicContact CZ2-CB 3.92Å; W862-E903 HydrophobicContact CZ2-CG 3.83Å; W862-M904 HydrophobicContact CB-CE 3.84Å; W862-M904 HydrophobicContact CB-CG 4.05Å; W862-M904 HydrophobicContact CB-SD 3.76Å; W862-M904 HydrophobicContact CD2-CB 3.69Å; W862-M904 HydrophobicContact CD2-CG 3.62Å; W862-M904 HydrophobicContact CD2-SD 4.36Å; W862-M904 HydrophobicContact CE3-CB 3.94Å; W862-M904 HydrophobicContact CE3-CG 3.73Å; W862-M904 HydrophobicContact CG-CB 4.15Å; W862-M904 HydrophobicContact CG-CG 3.8Å; W862-M904 HydrophobicContact CG-SD 3.89Å; W862-M904 HydrophobicContact CH2-CB 4.16Å; W862-M904 HydrophobicContact CZ2-CB 3.89Å; W862-M904 HydrophobicContact CZ3-CB 4.19Å; W862-M904 HydrophobicContact CZ3-CG 4.35Å; W862-T907 HydrophobicContact CZ3-CG2 4.33Å |
| 863 | K | 94.2 | Very high | 90.9 | Very high | 106 Ų | 106 | 21.9 Ų | 21.9 | 46% | 0.461 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -64.3 | -45.8 | -180 | -62.1 | -169.4 | -179.6 | -167.7 | 0 | 111.3 | C861 S867 E903 | C861-K863 PolarHBondContact O-N 2.99Å; K863-S867 VanDerWaalsContact O-CB 3.22Å; K863-S867 WeakPolarHBondContact O-CB 3.34Å; K863-S867 PolarHBondContact O-N 3.47Å; K863-E903 WeakPolarHBondContact CE-OE1 3.18Å; K863-E903 WeakPolarHBondContact CE-OE2 3.28Å; K863-E903 IonicContact NZ-OE1 2.93Å; K863-E903 PolarHBondContact NZ-OE1 3.21Å; K863-E903 IonicContact NZ-OE2 3.91Å; K863-E903 PolarHBondContact NZ-OE2 2.7Å |
| 864 | A | 93.7 | Very high | 90.8 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 3% | 0.025 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.1 | -50 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M749 N753 C861 S867 S868 | M749-A864 HydrophobicContact CB-CB 4.12Å; M749-A864 WeakPolarHBondContact O-CB 2.95Å; N753-A864 HydrophobicContact CB-CB 3.84Å; N753-A864 PolarHBondContact OD1-O 3.13Å; C861-A864 PolarHBondContact O-N 3.26Å; A864-S867 PolarHBondContact O-N 2.99Å; A864-S868 PolarHBondContact O-N 3.35Å; A864-S868 PolarHBondContact O-OG 3.21Å |
| 865 | V | 94.3 | Very high | 90.8 | Very high | 5 Ų | 5 | 25.3 Ų | 25.3 | 3% | 0.03 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63 | -46.3 | -179.6 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | M749 T833 T836 V837 C861 S867 S868 V869 M892 | M749-V865 HydrophobicContact SD-CG2 4.06Å; T833-V865 HydrophobicContact CG2-CG1 4.34Å; T836-V865 HydrophobicContact CG2-CG2 3.92Å; V837-V865 HydrophobicContact CG2-CG1 3.65Å; C861-V865 HydrophobicContact CB-CG2 4.18Å; C861-V865 WeakPolarHBondContact O-CG2 3.37Å; C861-V865 PolarHBondContact O-N 3.01Å; V865-S867 PolarHBondContact O-N 2.9Å; V865-S868 PolarHBondContact O-N 3.25Å; V865-V869 HydrophobicContact CG1-CG2 4.45Å; V865-V869 WeakPolarHBondContact O-CG2 3.43Å; V865-V869 PolarHBondContact O-N 3.07Å; V865-M892 HydrophobicContact CB-CE 4.01Å; V865-M892 HydrophobicContact CG1-CE 3.83Å; V865-M892 HydrophobicContact CG1-SD 4.43Å |
| 866 | L | 92.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.5 | -34.8 | -178.7 | -171.5 | 64.7 | 0 | 0 | 0 | 112.3 | W862 N870 Q889 T907 F911 | W862-L866 HydrophobicContact CE3-CD2 4.08Å; W862-L866 HydrophobicContact CZ3-CD2 4.05Å; W862-L866 WeakPolarHBondContact O-CB 3.49Å; W862-L866 PolarHBondContact O-N 2.92Å; L866-N870 WeakPolarHBondContact O-CB 3.39Å; L866-N870 PolarHBondContact O-N 3.42Å; L866-Q889 HydrophobicContact CD1-CG 4.17Å; L866-T907 HydrophobicContact CD2-CG2 3.62Å; L866-F911 HydrophobicContact CD1-CD2 4.19Å; L866-F911 HydrophobicContact CD2-CD2 4.12Å; L866-F911 HydrophobicContact CD2-CE2 4.22Å; L866-F911 HydrophobicContact CG-CD2 3.79Å; L866-F911 HydrophobicContact CG-CE2 3.92Å |
| 867 | S | 93.7 | Very high | 90.4 | Very high | 41 Ų | 41 | 20.8 Ų | 20.8 | 29% | 0.287 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 171.2 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | N753 K863 A864 V865 N870 V871 | N753-S867 PolarHBondContact ND2-OG 3.08Å; N753-S867 WeakPolarHBondContact OD1-CB 3.37Å; N753-S867 PolarHBondContact OD1-OG 2.94Å; K863-S867 VanDerWaalsContact O-CB 3.22Å; K863-S867 WeakPolarHBondContact O-CB 3.34Å; K863-S867 PolarHBondContact O-N 3.47Å; A864-S867 PolarHBondContact O-N 2.99Å; V865-S867 PolarHBondContact O-N 2.9Å; S867-N870 PolarHBondContact O-N 3.13Å; S867-V871 PolarHBondContact O-N 3.43Å; S867-V871 VanDerWaalsContact O-N 3.12Å |
| 868 | S | 93.1 | Very high | 90.1 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.1 | -44.2 | 176.9 | -72.4 | 0 | 0 | 0 | 0 | 112.1 | N753 A864 V865 N870 V871 M872 | N753-S868 WeakPolarHBondContact CA-OG 3.27Å; N753-S868 PolarHBondContact OD1-N 2.81Å; N753-S868 PolarHBondContact OD1-OG 3.38Å; A864-S868 PolarHBondContact O-N 3.35Å; A864-S868 PolarHBondContact O-OG 3.21Å; V865-S868 PolarHBondContact O-N 3.25Å; S868-N870 VanDerWaalsContact C-N 3.33Å; S868-N870 PolarHBondContact O-N 3.12Å; S868-V871 WeakPolarHBondContact O-CG1 3.44Å; S868-M872 VanDerWaalsContact O-CB 3.31Å; S868-M872 WeakPolarHBondContact O-CB 3.27Å; S868-M872 VanDerWaalsContact O-CG 3.23Å; S868-M872 WeakPolarHBondContact O-CG 3.43Å; S868-M872 PolarHBondContact O-N 3.17Å; S868-M872 VanDerWaalsContact O-N 3.08Å |
| 869 | V | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59 | -43.4 | 174 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | T833 V865 L873 L885 L888 Q889 | T833-V869 HydrophobicContact CG2-CG2 3.42Å; T833-V869 VanDerWaalsContact CG2-CG2 3.42Å; V865-V869 HydrophobicContact CG1-CG2 4.45Å; V865-V869 WeakPolarHBondContact O-CG2 3.43Å; V865-V869 PolarHBondContact O-N 3.07Å; V869-L873 WeakPolarHBondContact O-CB 3.38Å; V869-L873 PolarHBondContact O-N 3.28Å; V869-L885 HydrophobicContact CG1-CB 4.43Å; V869-L885 HydrophobicContact CG1-CD2 4.42Å; V869-L888 HydrophobicContact CG2-CB 4.4Å; V869-L888 HydrophobicContact CG2-CD1 4.2Å; V869-Q889 HydrophobicContact CG1-CB 4.25Å |
| 870 | N | 91.5 | Very high | 89.4 | Confident | 17 Ų | 17 | 31.4 Ų | 31.4 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.6 | -48 | -176.9 | -168.9 | 74.3 | 0 | 0 | 0 | 112.7 | L866 S867 S868 M872 L873 E874 F911 | L866-N870 WeakPolarHBondContact O-CB 3.39Å; L866-N870 PolarHBondContact O-N 3.42Å; S867-N870 PolarHBondContact O-N 3.13Å; S868-N870 VanDerWaalsContact C-N 3.33Å; S868-N870 PolarHBondContact O-N 3.12Å; N870-M872 VanDerWaalsContact C-N 3.34Å; N870-M872 PolarHBondContact O-N 3.37Å; N870-L873 PolarHBondContact O-N 3.45Å; N870-L873 VanDerWaalsContact O-N 3.15Å; N870-E874 VanDerWaalsContact ND2-CD 3.34Å; N870-E874 PolarHBondContact ND2-OE1 2.78Å; N870-E874 WeakPolarHBondContact O-CB 3.41Å; N870-E874 WeakPolarHBondContact O-CG 3.46Å; N870-E874 PolarHBondContact O-N 3.37Å; N870-F911 HydrophobicContact CB-CD2 3.68Å; N870-F911 HydrophobicContact CB-CE2 3.79Å; N870-F911 HydrophobicContact CB-CG 4.26Å; N870-F911 HydrophobicContact CB-CZ 4.46Å; N870-F911 WeakPolarHBondContact OD1-CB 3.46Å; N870-F911 WeakPolarHBondContact OD1-CG 3.38Å |
| 871 | V | 90.4 | Very high | 89.3 | Confident | 12 Ų | 12 | 31.4 Ų | 31.4 | 7% | 0.073 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.3 | -37.8 | 178.4 | 69 | 0 | 0 | 0 | 0 | 112 | T756 L757 F760 Y788 S867 S868 A875 | T756-V871 HydrophobicContact CG2-CG1 4.36Å; L757-V871 HydrophobicContact CD2-CB 4.29Å; L757-V871 HydrophobicContact CD2-CG1 3.98Å; L757-V871 HydrophobicContact CD2-CG2 4.31Å; F760-V871 HydrophobicContact CD2-CG1 4.12Å; F760-V871 HydrophobicContact CD2-CG2 3.95Å; F760-V871 HydrophobicContact CE2-CG1 3.98Å; F760-V871 HydrophobicContact CE2-CG2 4.21Å; F760-V871 HydrophobicContact CG-CG2 4.33Å; Y788-V871 HydrophobicContact CE2-CG2 4.33Å; S867-V871 PolarHBondContact O-N 3.43Å; S867-V871 VanDerWaalsContact O-N 3.12Å; S868-V871 WeakPolarHBondContact O-CG1 3.44Å; V871-A875 WeakPolarHBondContact O-CB 3.44Å; V871-A875 PolarHBondContact O-N 3.3Å |
| 872 | M | 91.2 | Very high | 89 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.6 | -40.4 | 172.1 | -73.2 | -178.1 | -167 | 0 | 0 | 111.7 | T756 F760 F786 L826 A829 Y830 S868 N870 A875 S876 L885 | T756-M872 HydrophobicContact CG2-CE 3.63Å; F760-M872 HydrophobicContact CE2-CG 4.18Å; F760-M872 HydrophobicContact CZ-CG 4.34Å; F786-M872 HydrophobicContact CD1-CB 4.48Å; F786-M872 VanDerWaalsContact CD1-O 3.28Å; F786-M872 WeakPolarHBondContact CD1-O 3.38Å; F786-M872 HydrophobicContact CE1-CB 3.73Å; F786-M872 HydrophobicContact CE1-CG 4.11Å; F786-M872 VanDerWaalsContact CE1-O 3.29Å; F786-M872 WeakPolarHBondContact CE1-O 3.44Å; F786-M872 HydrophobicContact CZ-CB 4.28Å; F786-M872 HydrophobicContact CZ-CG 4.24Å; L826-M872 HydrophobicContact CD1-CE 4.2Å; A829-M872 HydrophobicContact CB-CE 4.07Å; Y830-M872 HydrophobicContact CD2-SD 4Å; S868-M872 VanDerWaalsContact O-CB 3.31Å; S868-M872 WeakPolarHBondContact O-CB 3.27Å; S868-M872 VanDerWaalsContact O-CG 3.23Å; S868-M872 WeakPolarHBondContact O-CG 3.43Å; S868-M872 PolarHBondContact O-N 3.17Å; S868-M872 VanDerWaalsContact O-N 3.08Å; N870-M872 VanDerWaalsContact C-N 3.34Å; N870-M872 PolarHBondContact O-N 3.37Å; M872-A875 PolarHBondContact O-N 3.1Å; M872-S876 WeakPolarHBondContact O-CB 3.45Å; M872-S876 PolarHBondContact O-N 3.1Å; M872-L885 HydrophobicContact CB-CD1 3.73Å; M872-L885 HydrophobicContact CB-CD2 4.07Å; M872-L885 HydrophobicContact SD-CD2 4.33Å |
| 873 | L | 89 | Confident | 88.8 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69 | -46.7 | 179.3 | 177.7 | 60.6 | 0 | 0 | 0 | 110.5 | V869 N870 A875 S876 A882 L885 L886 A915 K939 | V869-L873 WeakPolarHBondContact O-CB 3.38Å; V869-L873 PolarHBondContact O-N 3.28Å; N870-L873 PolarHBondContact O-N 3.45Å; N870-L873 VanDerWaalsContact O-N 3.15Å; L873-A875 VanDerWaalsContact C-N 3.29Å; L873-A875 PolarHBondContact O-N 3.49Å; L873-S876 PolarHBondContact O-N 3.29Å; L873-S876 VanDerWaalsContact O-N 3.12Å; L873-S876 PolarHBondContact O-OG 2.98Å; L873-A882 HydrophobicContact CD1-CB 4.28Å; L873-L885 HydrophobicContact CB-CB 4.24Å; L873-L885 HydrophobicContact CB-CD1 4.24Å; L873-L885 HydrophobicContact CD1-CB 4.18Å; L873-L886 HydrophobicContact CD1-CD2 4.44Å; L873-L886 HydrophobicContact CD1-CG 4.03Å; L873-L886 HydrophobicContact CD2-CD2 3.77Å; L873-L886 HydrophobicContact CD2-CG 4.19Å; L873-A915 HydrophobicContact CD2-CB 3.9Å; L873-K939 HydrophobicContact CD1-CG 4.5Å; L873-K939 WeakPolarHBondContact O-CE 3.44Å; L873-K939 PolarHBondContact O-NZ 3.12Å |
| 874 | E | 85.4 | Confident | 88.6 | Confident | 84 Ų | 84 | 31.5 Ų | 31.5 | 39% | 0.393 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -51.7 | -48.5 | 173.1 | -78.6 | 179.9 | -171.4 | 0 | 0 | 111.2 | N870 Q914 K939 | N870-E874 VanDerWaalsContact ND2-CD 3.34Å; N870-E874 PolarHBondContact ND2-OE1 2.78Å; N870-E874 WeakPolarHBondContact O-CB 3.41Å; N870-E874 WeakPolarHBondContact O-CG 3.46Å; N870-E874 PolarHBondContact O-N 3.37Å; E874-Q914 PolarHBondContact OE1-NE2 3.21Å; E874-K939 PolarHBondContact O-NZ 2.88Å |
| 875 | A | 86.3 | Confident | 88.6 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -77.8 | -16.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F760 F786 L787 Y788 V871 M872 L873 N877 | F760-A875 HydrophobicContact CD1-CB 4.47Å; F760-A875 HydrophobicContact CE1-CB 3.64Å; F760-A875 HydrophobicContact CZ-CB 4.05Å; F786-A875 CarbonylContact C-O 3.44Å; F786-A875 VanDerWaalsContact CA-O 3.23Å; F786-A875 WeakPolarHBondContact CA-O 3.43Å; F786-A875 HydrophobicContact CB-CB 3.89Å; F786-A875 HydrophobicContact CD1-CB 4.13Å; F786-A875 HydrophobicContact CG-CB 4.45Å; L787-A875 PolarHBondContact N-O 2.9Å; Y788-A875 HydrophobicContact CD2-CB 3.94Å; Y788-A875 HydrophobicContact CG-CB 4.45Å; V871-A875 WeakPolarHBondContact O-CB 3.44Å; V871-A875 PolarHBondContact O-N 3.3Å; M872-A875 PolarHBondContact O-N 3.1Å; L873-A875 VanDerWaalsContact C-N 3.29Å; L873-A875 PolarHBondContact O-N 3.49Å; A875-N877 PolarHBondContact O-N 3.35Å |
| 876 | S | 86.9 | Confident | 88.5 | Confident | 13 Ų | 13 | 31.3 Ų | 31.3 | 9% | 0.091 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -59.9 | 126.8 | -171.2 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | M872 L873 | M872-S876 WeakPolarHBondContact O-CB 3.45Å; M872-S876 PolarHBondContact O-N 3.1Å; L873-S876 PolarHBondContact O-N 3.29Å; L873-S876 VanDerWaalsContact O-N 3.12Å; L873-S876 PolarHBondContact O-OG 2.98Å |
| 877 | N | 79.2 | Confident | 88.5 | Confident | 53 Ų | 53 | 35.9 Ų | 35.9 | 28% | 0.283 | 18% | 0.18 | S | C | . | . | trans | -103.1 | -1.3 | -178.6 | 77.4 | 6.5 | 0 | 0 | 0 | 113.8 | G785 L787 A875 | G785-N877 VanDerWaalsContact C-OD1 3.25Å; G785-N877 PolarHBondContact N-OD1 3.5Å; G785-N877 PolarHBondContact O-N 3.44Å; G785-N877 PolarHBondContact O-OD1 2.88Å; L787-N877 HydrophobicContact CB-CB 3.92Å; A875-N877 PolarHBondContact O-N 3.35Å | ||
| 878 | N | 82.3 | Confident | 88.5 | Confident | 35 Ų | 35 | 34.2 Ų | 34.2 | 19% | 0.187 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -128.8 | 135 | -172.3 | 179.3 | -81.2 | 0 | 0 | 0 | 111.2 | P784 Q880 I881 A882 | P784-N878 HydrophobicContact CB-CB 4.1Å; N878-Q880 VanDerWaalsContact C-N 3.31Å; N878-Q880 PolarHBondContact O-N 3.24Å; N878-Q880 WeakPolarHBondContact OD1-CB 3.41Å; N878-Q880 PolarHBondContact OD1-N 3.35Å; N878-I881 HydrophobicContact CB-CB 4.4Å; N878-I881 HydrophobicContact CB-CD1 3.95Å; N878-I881 HydrophobicContact CB-CG1 4.09Å; N878-I881 PolarHBondContact O-N 2.92Å; N878-I881 PolarHBondContact OD1-N 3.41Å; N878-A882 PolarHBondContact O-N 2.99Å |
| 879 | E | 79.9 | Confident | 88.4 | Confident | 118 Ų | 118 | 34.1 Ų | 34.1 | 55% | 0.551 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -61.2 | -31.7 | -174.6 | -65.2 | -178.2 | 177.7 | 0 | 0 | 114.3 | E883 A938 Q942 | E879-E883 VanDerWaalsContact O-CB 3.24Å; E879-E883 WeakPolarHBondContact O-CB 3.24Å; E879-E883 PolarHBondContact O-N 3.21Å; E879-A938 HydrophobicContact CG-CB 3.79Å; E879-A938 WeakPolarHBondContact OE1-CB 3.33Å; E879-Q942 PolarHBondContact O-NE2 2.76Å; E879-Q942 VanDerWaalsContact O-NE2 3.07Å; E879-Q942 PolarHBondContact O-OE1 3.38Å |
| 880 | Q | 84.6 | Confident | 88.4 | Confident | 143 Ų | 143 | 35.7 Ų | 35.7 | 67% | 0.668 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -78.8 | -32.8 | 179.5 | -61.6 | -179.7 | -8 | 0 | 0 | 111.9 | N878 T884 | N878-Q880 VanDerWaalsContact C-N 3.31Å; N878-Q880 PolarHBondContact O-N 3.24Å; N878-Q880 WeakPolarHBondContact OD1-CB 3.41Å; N878-Q880 PolarHBondContact OD1-N 3.35Å; Q880-T884 VanDerWaalsContact O-CB 3.32Å; Q880-T884 WeakPolarHBondContact O-CB 3.29Å; Q880-T884 PolarHBondContact O-N 3.41Å; Q880-T884 PolarHBondContact O-OG1 3.31Å |
| 881 | I | 87 | Confident | 88.5 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.6 | -48.1 | 173 | -58.9 | 178.3 | 0 | 0 | 0 | 109.2 | P784 G785 F786 L795 Y830 N878 T884 L885 | P784-I881 HydrophobicContact CB-CD1 3.91Å; G785-I881 VanDerWaalsContact N-CD1 3.32Å; F786-I881 HydrophobicContact CE1-CG2 3.83Å; F786-I881 HydrophobicContact CZ-CG2 4.01Å; L795-I881 HydrophobicContact CD1-CD1 3.51Å; L795-I881 HydrophobicContact CD1-CG1 4.13Å; L795-I881 HydrophobicContact CG-CD1 4.17Å; Y830-I881 HydrophobicContact CE2-CG2 4.05Å; N878-I881 HydrophobicContact CB-CB 4.4Å; N878-I881 HydrophobicContact CB-CD1 3.95Å; N878-I881 HydrophobicContact CB-CG1 4.09Å; N878-I881 PolarHBondContact O-N 2.92Å; N878-I881 PolarHBondContact OD1-N 3.41Å; I881-T884 PolarHBondContact O-N 3.19Å; I881-L885 HydrophobicContact CG2-CD1 3.76Å; I881-L885 HydrophobicContact CG2-CG 4.39Å; I881-L885 WeakPolarHBondContact O-CG 3.41Å; I881-L885 PolarHBondContact O-N 3.3Å |
| 882 | A | 87.7 | Confident | 88.7 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.4 | -49.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L873 N878 T884 L885 L886 K939 | L873-A882 HydrophobicContact CD1-CB 4.28Å; N878-A882 PolarHBondContact O-N 2.99Å; A882-T884 VanDerWaalsContact C-N 3.31Å; A882-T884 PolarHBondContact O-N 3.47Å; A882-L885 PolarHBondContact O-N 3.01Å; A882-L886 WeakPolarHBondContact O-CB 3.48Å; A882-L886 VanDerWaalsContact O-CG 3.3Å; A882-L886 WeakPolarHBondContact O-CG 3.42Å; A882-L886 PolarHBondContact O-N 3.13Å; A882-K939 HydrophobicContact CB-CB 4.24Å; A882-K939 HydrophobicContact CB-CG 4.19Å |
| 883 | E | 88.5 | Confident | 88.8 | Confident | 82 Ų | 82 | 35.2 Ų | 35.2 | 38% | 0.383 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.5 | -38.8 | 176.9 | -162.3 | -153 | -177.7 | 0 | 0 | 112.1 | E879 K887 | E879-E883 VanDerWaalsContact O-CB 3.24Å; E879-E883 WeakPolarHBondContact O-CB 3.24Å; E879-E883 PolarHBondContact O-N 3.21Å; E883-K887 WeakPolarHBondContact O-CD 3.45Å; E883-K887 VanDerWaalsContact O-CG 3.25Å; E883-K887 WeakPolarHBondContact O-CG 3.48Å; E883-K887 PolarHBondContact O-N 2.93Å; E883-K887 WeakPolarHBondContact OE1-CE 3.47Å; E883-K887 IonicContact OE1-NZ 2.68Å; E883-K887 PolarHBondContact OE1-NZ 2.75Å; E883-K887 IonicContact OE2-NZ 2.91Å; E883-K887 PolarHBondContact OE2-NZ 3.43Å |
| 884 | T | 90.9 | Very high | 88.9 | Confident | 38 Ų | 38 | 35.7 Ų | 35.7 | 23% | 0.233 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.2 | -46 | 177.9 | -59 | 0 | 0 | 0 | 0 | 111.6 | Y830 Q880 I881 A882 K887 L888 | Y830-T884 WeakPolarHBondContact OH-CG2 3.35Å; Q880-T884 VanDerWaalsContact O-CB 3.32Å; Q880-T884 WeakPolarHBondContact O-CB 3.29Å; Q880-T884 PolarHBondContact O-N 3.41Å; Q880-T884 PolarHBondContact O-OG1 3.31Å; I881-T884 PolarHBondContact O-N 3.19Å; A882-T884 VanDerWaalsContact C-N 3.31Å; A882-T884 PolarHBondContact O-N 3.47Å; T884-K887 WeakPolarHBondContact O-CB 3.44Å; T884-K887 PolarHBondContact O-N 3.24Å; T884-K887 VanDerWaalsContact O-N 3.17Å; T884-L888 WeakPolarHBondContact O-CG 3.44Å; T884-L888 PolarHBondContact O-N 2.87Å |
| 885 | L | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.3 | -41.2 | 178.3 | -69.3 | 168 | 0 | 0 | 0 | 111.8 | F786 Y830 V869 M872 L873 I881 A882 K887 L888 Q889 | F786-L885 HydrophobicContact CE1-CD1 4.25Å; Y830-L885 HydrophobicContact CD2-CD2 4.06Å; Y830-L885 HydrophobicContact CE2-CD2 3.87Å; Y830-L885 HydrophobicContact CE2-CG 4.05Å; V869-L885 HydrophobicContact CG1-CB 4.43Å; V869-L885 HydrophobicContact CG1-CD2 4.42Å; M872-L885 HydrophobicContact CB-CD1 3.73Å; M872-L885 HydrophobicContact CB-CD2 4.07Å; M872-L885 HydrophobicContact SD-CD2 4.33Å; L873-L885 HydrophobicContact CB-CB 4.24Å; L873-L885 HydrophobicContact CB-CD1 4.24Å; L873-L885 HydrophobicContact CD1-CB 4.18Å; I881-L885 HydrophobicContact CG2-CD1 3.76Å; I881-L885 HydrophobicContact CG2-CG 4.39Å; I881-L885 WeakPolarHBondContact O-CG 3.41Å; I881-L885 PolarHBondContact O-N 3.3Å; A882-L885 PolarHBondContact O-N 3.01Å; L885-K887 VanDerWaalsContact C-N 3.34Å; L885-K887 PolarHBondContact O-N 2.77Å; L885-L888 HydrophobicContact CD2-CD1 4.28Å; L885-L888 WeakPolarHBondContact O-CB 3.44Å; L885-L888 PolarHBondContact O-N 3.23Å; L885-Q889 WeakPolarHBondContact O-CB 3.34Å; L885-Q889 PolarHBondContact O-N 3.13Å |
| 886 | L | 91.7 | Very high | 89.5 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | 171.3 | -75.1 | 167.2 | 0 | 0 | 0 | 111.3 | L873 A882 L888 Q889 T890 Q942 A943 | L873-L886 HydrophobicContact CD1-CD2 4.44Å; L873-L886 HydrophobicContact CD1-CG 4.03Å; L873-L886 HydrophobicContact CD2-CD2 3.77Å; L873-L886 HydrophobicContact CD2-CG 4.19Å; A882-L886 WeakPolarHBondContact O-CB 3.48Å; A882-L886 VanDerWaalsContact O-CG 3.3Å; A882-L886 WeakPolarHBondContact O-CG 3.42Å; A882-L886 PolarHBondContact O-N 3.13Å; L886-L888 PolarHBondContact O-N 2.68Å; L886-Q889 WeakPolarHBondContact O-CB 2.95Å; L886-Q889 PolarHBondContact O-N 3.43Å; L886-T890 WeakPolarHBondContact O-CG2 3.32Å; L886-T890 PolarHBondContact O-N 3.34Å; L886-Q942 HydrophobicContact CD1-CB 3.75Å; L886-A943 HydrophobicContact CD1-CB 4.1Å; L886-A943 HydrophobicContact CD2-CB 3.9Å |
| 887 | K | 92.7 | Very high | 89.6 | Confident | 99 Ų | 99 | 31.5 Ų | 31.5 | 43% | 0.43 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -57.1 | -50.6 | 173.8 | -75.5 | 163.4 | -176.2 | 166.5 | 0 | 111.2 | E883 T884 L885 Q889 T890 S891 | E883-K887 WeakPolarHBondContact O-CD 3.45Å; E883-K887 VanDerWaalsContact O-CG 3.25Å; E883-K887 WeakPolarHBondContact O-CG 3.48Å; E883-K887 PolarHBondContact O-N 2.93Å; E883-K887 WeakPolarHBondContact OE1-CE 3.47Å; E883-K887 IonicContact OE1-NZ 2.68Å; E883-K887 PolarHBondContact OE1-NZ 2.75Å; E883-K887 IonicContact OE2-NZ 2.91Å; E883-K887 PolarHBondContact OE2-NZ 3.43Å; T884-K887 WeakPolarHBondContact O-CB 3.44Å; T884-K887 PolarHBondContact O-N 3.24Å; T884-K887 VanDerWaalsContact O-N 3.17Å; L885-K887 VanDerWaalsContact C-N 3.34Å; L885-K887 PolarHBondContact O-N 2.77Å; K887-Q889 PolarHBondContact O-N 3.2Å; K887-T890 PolarHBondContact O-N 3.39Å; K887-T890 VanDerWaalsContact O-N 3.1Å; K887-T890 PolarHBondContact O-OG1 3.3Å; K887-S891 PolarHBondContact O-N 3.13Å; K887-S891 PolarHBondContact O-OG 2.78Å |
| 888 | L | 93.9 | Very high | 89.9 | Confident | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.6 | -41 | 176.1 | -57.8 | -175 | 0 | 0 | 0 | 112 | T833 C834 V837 V869 T884 L885 L886 S891 M892 | T833-L888 HydrophobicContact CG2-CD1 4.36Å; C834-L888 HydrophobicContact CB-CD1 4.47Å; V837-L888 HydrophobicContact CB-CD2 4.12Å; V837-L888 HydrophobicContact CG1-CB 4.37Å; V837-L888 HydrophobicContact CG1-CD2 4.24Å; V837-L888 HydrophobicContact CG2-CB 4.38Å; V869-L888 HydrophobicContact CG2-CB 4.4Å; V869-L888 HydrophobicContact CG2-CD1 4.2Å; T884-L888 WeakPolarHBondContact O-CG 3.44Å; T884-L888 PolarHBondContact O-N 2.87Å; L885-L888 HydrophobicContact CD2-CD1 4.28Å; L885-L888 WeakPolarHBondContact O-CB 3.44Å; L885-L888 PolarHBondContact O-N 3.23Å; L886-L888 PolarHBondContact O-N 2.68Å; L888-S891 WeakPolarHBondContact O-CB 3.45Å; L888-S891 PolarHBondContact O-N 3.33Å; L888-M892 VanDerWaalsContact O-CG 3.3Å; L888-M892 WeakPolarHBondContact O-CG 3.37Å; L888-M892 PolarHBondContact O-N 3.09Å |
| 889 | Q | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.8 | -40.6 | 179.1 | -160.3 | 175.8 | 10.4 | 0 | 0 | 112.2 | L866 V869 L885 L886 K887 M892 L893 F911 I912 | L866-Q889 HydrophobicContact CD1-CG 4.17Å; V869-Q889 HydrophobicContact CG1-CB 4.25Å; L885-Q889 WeakPolarHBondContact O-CB 3.34Å; L885-Q889 PolarHBondContact O-N 3.13Å; L886-Q889 WeakPolarHBondContact O-CB 2.95Å; L886-Q889 PolarHBondContact O-N 3.43Å; K887-Q889 PolarHBondContact O-N 3.2Å; Q889-M892 PolarHBondContact O-N 2.89Å; Q889-L893 WeakPolarHBondContact O-CB 3.46Å; Q889-L893 PolarHBondContact O-N 3.35Å; Q889-F911 VanDerWaalsContact NE2-C 3.29Å; Q889-I912 HydrophobicContact CB-CG1 4.49Å; Q889-I912 VanDerWaalsContact CD-CG1 3.45Å; Q889-I912 HydrophobicContact CG-CD1 4.18Å; Q889-I912 HydrophobicContact CG-CG1 3.73Å |
| 890 | T | 92.6 | Very high | 90.3 | Very high | 33 Ų | 33 | 29.1 Ų | 29.1 | 20% | 0.202 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.1 | -33.3 | 172.5 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | L886 K887 L893 S894 I912 A946 V950 | L886-T890 WeakPolarHBondContact O-CG2 3.32Å; L886-T890 PolarHBondContact O-N 3.34Å; K887-T890 PolarHBondContact O-N 3.39Å; K887-T890 VanDerWaalsContact O-N 3.1Å; K887-T890 PolarHBondContact O-OG1 3.3Å; T890-L893 PolarHBondContact O-N 2.88Å; T890-S894 PolarHBondContact O-N 3.06Å; T890-I912 HydrophobicContact CG2-CD1 4.31Å; T890-A946 HydrophobicContact CG2-CB 4.2Å; T890-V950 HydrophobicContact CG2-CG2 3.4Å; T890-V950 VanDerWaalsContact CG2-CG2 3.4Å |
| 891 | S | 93.4 | Very high | 90.5 | Very high | 18 Ų | 18 | 23.6 Ų | 23.6 | 13% | 0.126 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.2 | -45.6 | 173 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | E841 K887 L888 L893 S894 L895 | E841-S891 VanDerWaalsContact CD-OG 3.25Å; E841-S891 WeakPolarHBondContact OE1-CB 3.02Å; E841-S891 PolarHBondContact OE1-OG 3.47Å; K887-S891 PolarHBondContact O-N 3.13Å; K887-S891 PolarHBondContact O-OG 2.78Å; L888-S891 WeakPolarHBondContact O-CB 3.45Å; L888-S891 PolarHBondContact O-N 3.33Å; S891-L893 VanDerWaalsContact C-N 3.27Å; S891-L893 PolarHBondContact O-N 3.31Å; S891-S894 WeakPolarHBondContact O-CB 3.41Å; S891-S894 PolarHBondContact O-N 2.8Å; S891-S894 VanDerWaalsContact O-N 3.15Å; S891-L895 WeakPolarHBondContact O-CG 3.38Å; S891-L895 PolarHBondContact O-N 3.16Å |
| 892 | M | 94 | Very high | 90.6 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.1 | -38.9 | 173.3 | -72.6 | -69.1 | -86.8 | 0 | 0 | 111.7 | V837 L840 W862 V865 L888 Q889 L895 A896 M904 | V837-M892 HydrophobicContact CG1-CG 4.08Å; V837-M892 HydrophobicContact CG1-SD 4.31Å; V837-M892 HydrophobicContact CG2-CG 3.92Å; V837-M892 HydrophobicContact CG2-SD 3.87Å; L840-M892 HydrophobicContact CD1-SD 4.46Å; W862-M892 HydrophobicContact CB-CE 3.95Å; V865-M892 HydrophobicContact CB-CE 4.01Å; V865-M892 HydrophobicContact CG1-CE 3.83Å; V865-M892 HydrophobicContact CG1-SD 4.43Å; L888-M892 VanDerWaalsContact O-CG 3.3Å; L888-M892 WeakPolarHBondContact O-CG 3.37Å; L888-M892 PolarHBondContact O-N 3.09Å; Q889-M892 PolarHBondContact O-N 2.89Å; M892-L895 PolarHBondContact O-N 3.19Å; M892-L895 HydrophobicContact SD-CD1 4.37Å; M892-A896 WeakPolarHBondContact O-CB 3.49Å; M892-A896 PolarHBondContact O-N 2.81Å; M892-M904 HydrophobicContact CB-CE 3.96Å; M892-M904 HydrophobicContact CE-CE 3.59Å; M892-M904 WeakPolarHBondContact O-CE 3.45Å; M892-M904 HydrophobicContact SD-CE 3.85Å |
| 893 | L | 93.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.4 | -39.4 | 174.3 | -174.9 | 40.6 | 0 | 0 | 0 | 112.6 | Q889 T890 S891 L895 A896 C897 R905 C908 I909 I912 V950 | Q889-L893 WeakPolarHBondContact O-CB 3.46Å; Q889-L893 PolarHBondContact O-N 3.35Å; T890-L893 PolarHBondContact O-N 2.88Å; S891-L893 VanDerWaalsContact C-N 3.27Å; S891-L893 PolarHBondContact O-N 3.31Å; L893-L895 VanDerWaalsContact C-N 3.32Å; L893-L895 PolarHBondContact O-N 2.95Å; L893-A896 PolarHBondContact O-N 3.4Å; L893-C897 PolarHBondContact O-N 3.49Å; L893-C897 PolarHBondContact O-SG 2.73Å; L893-R905 HydrophobicContact CD1-CB 4.31Å; L893-R905 HydrophobicContact CD1-CG 3.65Å; L893-C908 HydrophobicContact CB-CB 3.93Å; L893-C908 HydrophobicContact CD1-CB 4.07Å; L893-C908 HydrophobicContact CD2-CB 4.11Å; L893-C908 HydrophobicContact CG-CB 4.27Å; L893-I909 HydrophobicContact CD1-CD1 4.41Å; L893-I909 HydrophobicContact CD1-CG1 4.05Å; L893-I909 HydrophobicContact CD2-CG1 3.74Å; L893-I912 HydrophobicContact CD2-CD1 3.75Å; L893-V950 HydrophobicContact CD2-CB 4.49Å; L893-V950 HydrophobicContact CD2-CG1 3.33Å; L893-V950 HydrophobicContact CD2-CG2 4.41Å; L893-V950 HydrophobicContact CG-CG1 3.93Å |
| 894 | S | 92.4 | Very high | 90.9 | Very high | 12 Ų | 12 | 29 Ų | 29 | 8% | 0.084 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.8 | -44.9 | 170.6 | -172 | 0 | 0 | 0 | 0 | 111.9 | T890 S891 C897 K898 Y954 | T890-S894 PolarHBondContact O-N 3.06Å; S891-S894 WeakPolarHBondContact O-CB 3.41Å; S891-S894 PolarHBondContact O-N 2.8Å; S891-S894 VanDerWaalsContact O-N 3.15Å; S894-C897 PolarHBondContact O-N 3.41Å; S894-K898 VanDerWaalsContact O-CG 3.3Å; S894-K898 WeakPolarHBondContact O-CG 3.31Å; S894-K898 PolarHBondContact O-N 3.25Å; S894-Y954 VanDerWaalsContact CB-OH 3.25Å; S894-Y954 WeakPolarHBondContact CB-OH 3.34Å; S894-Y954 PolarHBondContact OG-OH 3.39Å |
| 895 | L | 91.6 | Very high | 91 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.7 | -43.2 | 177.5 | -67.4 | 166 | 0 | 0 | 0 | 111.6 | L840 E841 S844 L854 L858 S891 M892 L893 C897 K898 A899 | L840-L895 HydrophobicContact CB-CD1 3.76Å; E841-L895 HydrophobicContact CG-CD1 4.32Å; S844-L895 VanDerWaalsContact CB-CD2 3.42Å; L854-L895 HydrophobicContact CD1-CD2 4.36Å; L858-L895 HydrophobicContact CD1-CB 4.14Å; L858-L895 HydrophobicContact CD2-CB 3.94Å; L858-L895 HydrophobicContact CD2-CD1 4.24Å; S891-L895 WeakPolarHBondContact O-CG 3.38Å; S891-L895 PolarHBondContact O-N 3.16Å; M892-L895 PolarHBondContact O-N 3.19Å; M892-L895 HydrophobicContact SD-CD1 4.37Å; L893-L895 VanDerWaalsContact C-N 3.32Å; L893-L895 PolarHBondContact O-N 2.95Å; L895-C897 PolarHBondContact O-N 3.4Å; L895-K898 PolarHBondContact O-N 2.73Å; L895-A899 VanDerWaalsContact O-CB 3.29Å; L895-A899 WeakPolarHBondContact O-CB 3.48Å; L895-A899 PolarHBondContact O-N 3.08Å |
| 896 | A | 91.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M892 L893 G900 N901 M904 R905 | M892-A896 WeakPolarHBondContact O-CB 3.49Å; M892-A896 PolarHBondContact O-N 2.81Å; L893-A896 PolarHBondContact O-N 3.4Å; A896-G900 PolarHBondContact O-N 3.21Å; A896-N901 PolarHBondContact O-N 3.48Å; A896-M904 HydrophobicContact CB-CB 4.07Å; A896-M904 HydrophobicContact CB-CE 4.21Å; A896-M904 HydrophobicContact CB-CG 3.77Å; A896-M904 HydrophobicContact CB-SD 3.68Å; A896-R905 HydrophobicContact CB-CB 3.99Å |
| 897 | C | 89.2 | Confident | 91 | Very high | 12 Ų | 12 | 32.7 Ų | 32.7 | 8% | 0.081 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.1 | -45.5 | 175.1 | -69 | 0 | 0 | 0 | 0 | 112.2 | L893 S894 L895 A899 G900 R905 Y954 F957 | L893-C897 PolarHBondContact O-N 3.49Å; L893-C897 PolarHBondContact O-SG 2.73Å; S894-C897 PolarHBondContact O-N 3.41Å; L895-C897 PolarHBondContact O-N 3.4Å; C897-A899 PolarHBondContact O-N 3.49Å; C897-G900 PolarHBondContact O-N 3.09Å; C897-R905 WeakPolarHBondContact SG-CD 3.39Å; C897-Y954 HydrophobicContact CB-CD1 4.04Å; C897-F957 HydrophobicContact CB-CD2 4.26Å; C897-F957 HydrophobicContact CB-CG 4.41Å |
| 898 | K | 85.2 | Confident | 91.1 | Very high | 103 Ų | 103 | 28 Ų | 28 | 45% | 0.448 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.4 | -37.9 | 177 | -69.8 | 166.4 | -178.3 | 169.7 | 0 | 112.8 | S844 S894 L895 | S844-K898 VanDerWaalsContact OG-CD 3.31Å; S844-K898 WeakPolarHBondContact OG-CD 3.29Å; S844-K898 PolarHBondContact OG-NZ 2.98Å; S894-K898 VanDerWaalsContact O-CG 3.3Å; S894-K898 WeakPolarHBondContact O-CG 3.31Å; S894-K898 PolarHBondContact O-N 3.25Å; L895-K898 PolarHBondContact O-N 2.73Å |
| 899 | A | 85.8 | Confident | 91 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -76.6 | -24.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K855 L858 L895 C897 | K855-A899 WeakPolarHBondContact CE-O 3.11Å; K855-A899 HydrophobicContact CG-CB 4.11Å; K855-A899 PolarHBondContact NZ-O 2.92Å; L858-A899 HydrophobicContact CD1-CB 3.69Å; L895-A899 VanDerWaalsContact O-CB 3.29Å; L895-A899 WeakPolarHBondContact O-CB 3.48Å; L895-A899 PolarHBondContact O-N 3.08Å; C897-A899 PolarHBondContact O-N 3.49Å |
| 900 | G | 85.2 | Confident | 91 | Very high | 48 Ų | 48 | 31 Ų | 31 | 50% | 0.495 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 40.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A896 C897 | A896-G900 PolarHBondContact O-N 3.21Å; C897-G900 PolarHBondContact O-N 3.09Å |
| 901 | N | 89 | Confident | 91 | Very high | 26 Ų | 26 | 31.7 Ų | 31.7 | 14% | 0.139 | 18% | 0.183 | C | C | . | . | trans | -94.5 | 107.6 | 171.3 | -173.7 | -44.4 | 0 | 0 | 0 | 108.7 | D859 A896 E903 M904 R905 | D859-N901 PolarHBondContact OD1-ND2 3.25Å; A896-N901 PolarHBondContact O-N 3.48Å; N901-E903 PolarHBondContact OD1-N 3.25Å; N901-M904 HydrophobicContact CB-CB 4.07Å; N901-M904 VanDerWaalsContact OD1-CB 3.28Å; N901-M904 WeakPolarHBondContact OD1-CB 3.23Å; N901-M904 PolarHBondContact OD1-N 3.08Å; N901-R905 WeakPolarHBondContact O-CB 3.33Å; N901-R905 PolarHBondContact O-N 2.69Å; N901-R905 VanDerWaalsContact O-N 3.12Å; N901-R905 PolarHBondContact O-NH1 3.02Å | ||
| 902 | D | 87.8 | Confident | 90.9 | Very high | 96 Ų | 96 | 30.9 Ų | 30.9 | 51% | 0.513 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -76 | -35.2 | -173.1 | -63 | -17.6 | 0 | 0 | 0 | 113 | R905 S906 | D902-R905 IonicContact OD1-CZ 3.22Å; D902-R905 IonicContact OD1-NH1 2.62Å; D902-R905 PolarHBondContact OD1-NH1 2.96Å; D902-R905 IonicContact OD1-NH2 2.94Å; D902-R905 PolarHBondContact OD1-NH2 3.05Å; D902-S906 WeakPolarHBondContact O-CB 3.14Å; D902-S906 PolarHBondContact O-N 2.66Å; D902-S906 PolarHBondContact O-OG 2.74Å |
| 903 | E | 91.2 | Very high | 90.8 | Very high | 108 Ų | 108 | 31.1 Ų | 31.1 | 51% | 0.505 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.2 | -55.4 | 176.3 | -163.8 | -164.8 | 169.6 | 0 | 0 | 109.6 | W862 K863 N901 R905 S906 T907 | W862-E903 HydrophobicContact CH2-CB 4.24Å; W862-E903 HydrophobicContact CH2-CG 3.83Å; W862-E903 HydrophobicContact CZ2-CB 3.92Å; W862-E903 HydrophobicContact CZ2-CG 3.83Å; K863-E903 WeakPolarHBondContact CE-OE1 3.18Å; K863-E903 WeakPolarHBondContact CE-OE2 3.28Å; K863-E903 IonicContact NZ-OE1 2.93Å; K863-E903 PolarHBondContact NZ-OE1 3.21Å; K863-E903 IonicContact NZ-OE2 3.91Å; K863-E903 PolarHBondContact NZ-OE2 2.7Å; N901-E903 PolarHBondContact OD1-N 3.25Å; E903-R905 VanDerWaalsContact C-N 3.31Å; E903-R905 PolarHBondContact O-N 2.71Å; E903-S906 PolarHBondContact O-N 2.75Å; E903-T907 PolarHBondContact O-N 2.64Å; E903-T907 PolarHBondContact O-OG1 3.45Å |
| 904 | M | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57 | -43.5 | 178.6 | -175.3 | -172.3 | 175.2 | 0 | 0 | 112 | L858 W862 M892 A896 N901 C908 | L858-M904 HydrophobicContact CB-SD 4.48Å; L858-M904 HydrophobicContact CD2-CE 3.85Å; L858-M904 HydrophobicContact CD2-SD 4.28Å; W862-M904 HydrophobicContact CB-CE 3.84Å; W862-M904 HydrophobicContact CB-CG 4.05Å; W862-M904 HydrophobicContact CB-SD 3.76Å; W862-M904 HydrophobicContact CD2-CB 3.69Å; W862-M904 HydrophobicContact CD2-CG 3.62Å; W862-M904 HydrophobicContact CD2-SD 4.36Å; W862-M904 HydrophobicContact CE3-CB 3.94Å; W862-M904 HydrophobicContact CE3-CG 3.73Å; W862-M904 HydrophobicContact CG-CB 4.15Å; W862-M904 HydrophobicContact CG-CG 3.8Å; W862-M904 HydrophobicContact CG-SD 3.89Å; W862-M904 HydrophobicContact CH2-CB 4.16Å; W862-M904 HydrophobicContact CZ2-CB 3.89Å; W862-M904 HydrophobicContact CZ3-CB 4.19Å; W862-M904 HydrophobicContact CZ3-CG 4.35Å; M892-M904 HydrophobicContact CB-CE 3.96Å; M892-M904 HydrophobicContact CE-CE 3.59Å; M892-M904 WeakPolarHBondContact O-CE 3.45Å; M892-M904 HydrophobicContact SD-CE 3.85Å; A896-M904 HydrophobicContact CB-CB 4.07Å; A896-M904 HydrophobicContact CB-CE 4.21Å; A896-M904 HydrophobicContact CB-CG 3.77Å; A896-M904 HydrophobicContact CB-SD 3.68Å; N901-M904 HydrophobicContact CB-CB 4.07Å; N901-M904 VanDerWaalsContact OD1-CB 3.28Å; N901-M904 WeakPolarHBondContact OD1-CB 3.23Å; N901-M904 PolarHBondContact OD1-N 3.08Å; M904-C908 WeakPolarHBondContact O-CB 3.31Å; M904-C908 PolarHBondContact O-N 3.43Å; M904-C908 PolarHBondContact O-SG 3.26Å |
| 905 | R | 92.5 | Very high | 90.4 | Very high | 27 Ų | 27 | 35 Ų | 35 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 178.6 | -179.1 | 162.5 | 76.2 | -98 | 6.1 | 111.4 | L893 A896 C897 N901 D902 E903 C908 I909 F957 | L893-R905 HydrophobicContact CD1-CB 4.31Å; L893-R905 HydrophobicContact CD1-CG 3.65Å; A896-R905 HydrophobicContact CB-CB 3.99Å; C897-R905 WeakPolarHBondContact SG-CD 3.39Å; N901-R905 WeakPolarHBondContact O-CB 3.33Å; N901-R905 PolarHBondContact O-N 2.69Å; N901-R905 VanDerWaalsContact O-N 3.12Å; N901-R905 PolarHBondContact O-NH1 3.02Å; D902-R905 IonicContact OD1-CZ 3.22Å; D902-R905 IonicContact OD1-NH1 2.62Å; D902-R905 PolarHBondContact OD1-NH1 2.96Å; D902-R905 IonicContact OD1-NH2 2.94Å; D902-R905 PolarHBondContact OD1-NH2 3.05Å; E903-R905 VanDerWaalsContact C-N 3.31Å; E903-R905 PolarHBondContact O-N 2.71Å; R905-C908 PolarHBondContact O-N 2.96Å; R905-I909 HydrophobicContact CG-CD1 3.93Å; R905-I909 VanDerWaalsContact O-CG1 3.31Å; R905-I909 WeakPolarHBondContact O-CG1 3.4Å; R905-I909 PolarHBondContact O-N 2.76Å; R905-F957 VanDerWaalsContact CZ-O 3.3Å; R905-F957 PolarHBondContact NE-O 3.26Å; R905-F957 PolarHBondContact NH2-O 2.81Å; R905-F957 VanDerWaalsContact NH2-O 3.09Å |
| 906 | S | 90.8 | Very high | 90.3 | Very high | 52 Ų | 52 | 35 Ų | 35 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.8 | -41.6 | -179.3 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | D902 E903 I909 S910 | D902-S906 WeakPolarHBondContact O-CB 3.14Å; D902-S906 PolarHBondContact O-N 2.66Å; D902-S906 PolarHBondContact O-OG 2.74Å; E903-S906 PolarHBondContact O-N 2.75Å; S906-I909 PolarHBondContact O-N 2.76Å; S906-S910 WeakPolarHBondContact O-CB 3.23Å; S906-S910 PolarHBondContact O-N 3.21Å |
| 907 | T | 93.4 | Very high | 89.5 | Confident | 39 Ų | 39 | 37.3 Ų | 37.3 | 24% | 0.239 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 175.1 | -47.7 | 0 | 0 | 0 | 0 | 111.9 | W862 L866 E903 I909 S910 F911 | W862-T907 HydrophobicContact CZ3-CG2 4.33Å; L866-T907 HydrophobicContact CD2-CG2 3.62Å; E903-T907 PolarHBondContact O-N 2.64Å; E903-T907 PolarHBondContact O-OG1 3.45Å; T907-I909 PolarHBondContact O-N 3.28Å; T907-S910 PolarHBondContact O-N 3.46Å; T907-F911 HydrophobicContact CG2-CD2 4.12Å; T907-F911 HydrophobicContact CG2-CE1 4.28Å; T907-F911 HydrophobicContact CG2-CE2 3.78Å; T907-F911 HydrophobicContact CG2-CZ 3.87Å; T907-F911 PolarHBondContact O-N 2.92Å |
| 908 | C | 93.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 176 | -69.3 | 0 | 0 | 0 | 0 | 111.7 | L893 M904 R905 I912 | L893-C908 HydrophobicContact CB-CB 3.93Å; L893-C908 HydrophobicContact CD1-CB 4.07Å; L893-C908 HydrophobicContact CD2-CB 4.11Å; L893-C908 HydrophobicContact CG-CB 4.27Å; M904-C908 WeakPolarHBondContact O-CB 3.31Å; M904-C908 PolarHBondContact O-N 3.43Å; M904-C908 PolarHBondContact O-SG 3.26Å; R905-C908 PolarHBondContact O-N 2.96Å; C908-I912 VanDerWaalsContact O-CG1 3.28Å; C908-I912 WeakPolarHBondContact O-CG1 3.13Å; C908-I912 PolarHBondContact O-N 3.2Å |
| 909 | I | 92.7 | Very high | 87.3 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 177.4 | -66.1 | 163.3 | 0 | 0 | 0 | 110.8 | L893 R905 S906 T907 I912 C913 F958 V965 | L893-I909 HydrophobicContact CD1-CD1 4.41Å; L893-I909 HydrophobicContact CD1-CG1 4.05Å; L893-I909 HydrophobicContact CD2-CG1 3.74Å; R905-I909 HydrophobicContact CG-CD1 3.93Å; R905-I909 VanDerWaalsContact O-CG1 3.31Å; R905-I909 WeakPolarHBondContact O-CG1 3.4Å; R905-I909 PolarHBondContact O-N 2.76Å; S906-I909 PolarHBondContact O-N 2.76Å; T907-I909 PolarHBondContact O-N 3.28Å; I909-I912 PolarHBondContact O-N 3.48Å; I909-C913 WeakPolarHBondContact O-CB 3.46Å; I909-C913 PolarHBondContact O-N 2.88Å; I909-C913 PolarHBondContact O-SG 3.4Å; I909-F958 HydrophobicContact CD1-CB 4.37Å; I909-F958 HydrophobicContact CD1-CD1 3.65Å; I909-F958 HydrophobicContact CD1-CD2 4.07Å; I909-F958 HydrophobicContact CD1-CE1 3.82Å; I909-F958 HydrophobicContact CD1-CE2 4.22Å; I909-F958 HydrophobicContact CD1-CG 3.77Å; I909-F958 HydrophobicContact CD1-CZ 4.1Å; I909-F958 HydrophobicContact CG1-CE1 4.23Å; I909-F958 HydrophobicContact CG1-CE2 4.41Å; I909-F958 HydrophobicContact CG1-CZ 4.16Å; I909-F958 HydrophobicContact CG2-CE2 4.44Å; I909-V965 HydrophobicContact CG2-CG2 3.4Å |
| 910 | S | 91.7 | Very high | 85.5 | Confident | 67 Ų | 67 | 45.9 Ų | 45.9 | 47% | 0.469 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.4 | -50.7 | 179.3 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | S906 T907 I912 C913 Q914 | S906-S910 WeakPolarHBondContact O-CB 3.23Å; S906-S910 PolarHBondContact O-N 3.21Å; T907-S910 PolarHBondContact O-N 3.46Å; S910-I912 PolarHBondContact O-N 2.82Å; S910-C913 WeakPolarHBondContact O-CB 3.45Å; S910-C913 PolarHBondContact O-N 3.14Å; S910-Q914 PolarHBondContact O-N 3.08Å |
| 911 | F | 91.8 | Very high | 83.3 | Confident | 48 Ų | 48 | 48.5 Ų | 48.5 | 21% | 0.211 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.1 | -35 | 178.6 | -70.5 | -12.5 | 0 | 0 | 0 | 112.9 | L866 N870 Q889 T907 C913 Q914 A915 | L866-F911 HydrophobicContact CD1-CD2 4.19Å; L866-F911 HydrophobicContact CD2-CD2 4.12Å; L866-F911 HydrophobicContact CD2-CE2 4.22Å; L866-F911 HydrophobicContact CG-CD2 3.79Å; L866-F911 HydrophobicContact CG-CE2 3.92Å; N870-F911 HydrophobicContact CB-CD2 3.68Å; N870-F911 HydrophobicContact CB-CE2 3.79Å; N870-F911 HydrophobicContact CB-CG 4.26Å; N870-F911 HydrophobicContact CB-CZ 4.46Å; N870-F911 WeakPolarHBondContact OD1-CB 3.46Å; N870-F911 WeakPolarHBondContact OD1-CG 3.38Å; Q889-F911 VanDerWaalsContact NE2-C 3.29Å; T907-F911 HydrophobicContact CG2-CD2 4.12Å; T907-F911 HydrophobicContact CG2-CE1 4.28Å; T907-F911 HydrophobicContact CG2-CE2 3.78Å; T907-F911 HydrophobicContact CG2-CZ 3.87Å; T907-F911 PolarHBondContact O-N 2.92Å; F911-C913 VanDerWaalsContact C-N 3.35Å; F911-Q914 PolarHBondContact O-N 2.84Å; F911-A915 PolarHBondContact O-N 3.38Å; F911-A915 VanDerWaalsContact O-N 3.12Å |
| 912 | I | 92.1 | Very high | 80.7 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 171.7 | -69.5 | 169.7 | 0 | 0 | 0 | 109.1 | Q889 T890 L893 C908 I909 S910 Q914 A915 V916 L947 V950 | Q889-I912 HydrophobicContact CB-CG1 4.49Å; Q889-I912 VanDerWaalsContact CD-CG1 3.45Å; Q889-I912 HydrophobicContact CG-CD1 4.18Å; Q889-I912 HydrophobicContact CG-CG1 3.73Å; T890-I912 HydrophobicContact CG2-CD1 4.31Å; L893-I912 HydrophobicContact CD2-CD1 3.75Å; C908-I912 VanDerWaalsContact O-CG1 3.28Å; C908-I912 WeakPolarHBondContact O-CG1 3.13Å; C908-I912 PolarHBondContact O-N 3.2Å; I909-I912 PolarHBondContact O-N 3.48Å; S910-I912 PolarHBondContact O-N 2.82Å; I912-Q914 VanDerWaalsContact C-N 3.32Å; I912-Q914 PolarHBondContact O-N 2.82Å; I912-A915 PolarHBondContact O-N 3.09Å; I912-A915 VanDerWaalsContact O-N 3.13Å; I912-V916 WeakPolarHBondContact O-CG2 3.21Å; I912-V916 PolarHBondContact O-N 3.16Å; I912-L947 HydrophobicContact CG2-CB 3.89Å; I912-L947 HydrophobicContact CG2-CD1 4Å; I912-L947 HydrophobicContact CG2-CG 4.48Å; I912-V950 HydrophobicContact CD1-CG2 4.36Å |
| 913 | C | 91.7 | Very high | 78 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 4% | 0.041 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 178.9 | -71.2 | 0 | 0 | 0 | 0 | 112.5 | I909 S910 F911 A915 V916 T968 | I909-C913 WeakPolarHBondContact O-CB 3.46Å; I909-C913 PolarHBondContact O-N 2.88Å; I909-C913 PolarHBondContact O-SG 3.4Å; S910-C913 WeakPolarHBondContact O-CB 3.45Å; S910-C913 PolarHBondContact O-N 3.14Å; F911-C913 VanDerWaalsContact C-N 3.35Å; C913-A915 VanDerWaalsContact C-N 3.32Å; C913-A915 PolarHBondContact O-N 2.95Å; C913-V916 PolarHBondContact O-N 3.06Å; C913-T968 HydrophobicContact CB-CG2 3.97Å; C913-T968 WeakPolarHBondContact CB-OG1 3.44Å; C913-T968 WeakPolarHBondContact O-CG2 3.47Å |
| 914 | Q | 89.8 | Confident | 75.2 | Confident | 81 Ų | 81 | 58.8 Ų | 58.8 | 38% | 0.379 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 174.9 | -171.7 | -173 | -27.9 | 0 | 0 | 111.7 | E874 S910 F911 I912 V916 V917 | E874-Q914 PolarHBondContact OE1-NE2 3.21Å; S910-Q914 PolarHBondContact O-N 3.08Å; F911-Q914 PolarHBondContact O-N 2.84Å; I912-Q914 VanDerWaalsContact C-N 3.32Å; I912-Q914 PolarHBondContact O-N 2.82Å; Q914-V916 VanDerWaalsContact C-N 3.3Å; Q914-V916 PolarHBondContact O-N 2.99Å; Q914-V917 PolarHBondContact O-N 3.15Å |
| 915 | A | 88.3 | Confident | 72.1 | Confident | 13 Ų | 13 | 65.7 Ų | 65.7 | 11% | 0.107 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.3 | -21.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L873 F911 I912 C913 A943 | L873-A915 HydrophobicContact CD2-CB 3.9Å; F911-A915 PolarHBondContact O-N 3.38Å; F911-A915 VanDerWaalsContact O-N 3.12Å; I912-A915 PolarHBondContact O-N 3.09Å; I912-A915 VanDerWaalsContact O-N 3.13Å; C913-A915 VanDerWaalsContact C-N 3.32Å; C913-A915 PolarHBondContact O-N 2.95Å; A915-A943 HydrophobicContact CB-CB 3.85Å |
| 916 | V | 88.5 | Confident | 69.1 | Low | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.012 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -73.3 | -34.7 | 175.1 | -169.7 | 0 | 0 | 0 | 0 | 111.9 | I912 C913 Q914 A943 L947 T968 F972 | I912-V916 WeakPolarHBondContact O-CG2 3.21Å; I912-V916 PolarHBondContact O-N 3.16Å; C913-V916 PolarHBondContact O-N 3.06Å; Q914-V916 VanDerWaalsContact C-N 3.3Å; Q914-V916 PolarHBondContact O-N 2.99Å; V916-A943 HydrophobicContact CG2-CB 3.99Å; V916-L947 HydrophobicContact CG2-CB 4.23Å; V916-L947 HydrophobicContact CG2-CD2 3.96Å; V916-T968 HydrophobicContact CB-CG2 3.73Å; V916-T968 HydrophobicContact CG1-CG2 4.12Å; V916-T968 HydrophobicContact CG2-CG2 4.04Å; V916-F972 HydrophobicContact CG1-CB 3.64Å; V916-F972 HydrophobicContact CG1-CD1 4.41Å; V916-F972 HydrophobicContact CG1-CD2 3.31Å; V916-F972 HydrophobicContact CG1-CE2 4.04Å; V916-F972 HydrophobicContact CG1-CG 3.54Å |
| 917 | V | 76.6 | Confident | 66.2 | Low | 47 Ų | 47 | 70.2 Ų | 70.2 | 29% | 0.285 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -79.3 | 127.6 | -175.9 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | Q914 T919 T968 | Q914-V917 PolarHBondContact O-N 3.15Å; V917-T919 PolarHBondContact O-N 3.17Å; V917-T919 VanDerWaalsContact O-N 3.09Å; V917-T968 HydrophobicContact CG2-CG2 4.29Å |
| 918 | P | 66.5 | Low | 63.4 | Low | 23 Ų | 23 | 75.4 Ų | 75.4 | 15% | 0.149 | 45% | 0.453 | C | S | . | . | trans | -60.5 | 114.9 | 170.3 | -22.1 | 33.8 | 0 | 0 | 0 | 109.9 | E920 V936 | P918-E920 PolarHBondContact O-N 3.06Å; P918-V936 HydrophobicContact CG-CG2 4.5Å | ||
| 919 | T | 62 | Low | 60.3 | Low | 117 Ų | 117 | 82.3 Ų | 82.3 | 72% | 0.718 | 49% | 0.489 | S | S | * | . | trans | -64.9 | 116.7 | 177.5 | 48.2 | 0 | 0 | 0 | 0 | 110.1 | V917 S921 | V917-T919 PolarHBondContact O-N 3.17Å; V917-T919 VanDerWaalsContact O-N 3.09Å; T919-S921 PolarHBondContact O-N 3.5Å | ||
| 920 | E | 47.9 | Very low | 57.4 | Low | 160 Ų | 160 | 86.7 Ų | 86.7 | 75% | 0.748 | 52% | 0.518 | S | S | * | . | trans | -55.7 | 128.8 | 166.3 | -66.8 | -177.5 | 172.1 | 0 | 0 | 108.9 | P918 N922 | P918-E920 PolarHBondContact O-N 3.06Å; E920-N922 PolarHBondContact O-N 2.82Å | ||
| 921 | S | 39.1 | Very low | 54.7 | Low | 103 Ų | 103 | 89.6 Ų | 89.6 | 72% | 0.72 | 54% | 0.535 | S | S | * | . | trans | -71.6 | 96.8 | -174.2 | 53.7 | 0 | 0 | 0 | 0 | 110.4 | T919 Q923 | T919-S921 PolarHBondContact O-N 3.5Å; S921-Q923 PolarHBondContact O-N 3.39Å | ||
| 922 | N | 32.6 | Very low | 52.2 | Low | 173 Ų | 173 | 95.2 Ų | 95.2 | 93% | 0.925 | 56% | 0.559 | S | S | * | * | trans | -65 | 77.5 | 170.5 | -93.3 | -34.2 | 0 | 0 | 0 | 110.9 | E920 | E920-N922 PolarHBondContact O-N 2.82Š| ||
| 923 | Q | 32.7 | Very low | 49.8 | Very low | 153 Ų | 153 | 98.8 Ų | 98.8 | 72% | 0.715 | 58% | 0.582 | S | S | * | * | trans | -129.2 | 101 | 173.1 | -72.6 | -169.2 | -14.4 | 0 | 0 | 110 | S921 | S921-Q923 PolarHBondContact O-N 3.39Š| ||
| 924 | T | 31 | Very low | 48 | Very low | 121 Ų | 121 | 102.3 Ų | 102.3 | 74% | 0.742 | 60% | 0.604 | S | S | * | * | trans | 57.6 | 128 | 161.1 | 56.7 | 0 | 0 | 0 | 0 | 119.2 | A926 | T924-A926 PolarHBondContact O-N 3.42Š| ||
| 925 | P | 29.8 | Very low | 46.6 | Very low | 144 Ų | 144 | 102 Ų | 102 | 94% | 0.935 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -76.8 | 81.1 | 172.6 | 32.8 | -34.7 | 0 | 0 | 0 | 111.6 | ||
| 926 | A | 29.1 | Very low | 45.8 | Very low | 81 Ų | 81 | 101.7 Ų | 101.7 | 67% | 0.669 | 61% | 0.605 | S | S | * | * | trans | -141.9 | 117.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.3 | T924 | T924-A926 PolarHBondContact O-N 3.42Š| ||
| 927 | A | 30.1 | Very low | 45.3 | Very low | 93 Ų | 93 | 104.7 Ų | 104.7 | 77% | 0.769 | 62% | 0.623 | S | S | * | * | trans | 48.3 | 100.1 | 153.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | L929 | A927-L929 PolarHBondContact O-N 3.4Š| ||
| 928 | V | 33.1 | Very low | 45.4 | Very low | 149 Ų | 149 | 103.3 Ų | 103.3 | 90% | 0.903 | 62% | 0.616 | S | S | * | * | trans | 45.5 | 73 | 133.3 | -161.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 929 | L | 30.1 | Very low | 46.2 | Very low | 145 Ų | 145 | 104.4 Ų | 104.4 | 76% | 0.759 | 62% | 0.619 | S | S | * | * | trans | -138.9 | 154 | 148 | -91 | 168.3 | 0 | 0 | 0 | 108.3 | A927 | A927-L929 PolarHBondContact O-N 3.4Š| ||
| 930 | P | 31.6 | Very low | 47.3 | Very low | 94 Ų | 94 | 99.2 Ų | 99.2 | 61% | 0.61 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 153.3 | 178.7 | 30.5 | -34.7 | 0 | 0 | 0 | 111 | F932 | P930-F932 PolarHBondContact O-N 3.2Å; P930-F932 VanDerWaalsContact O-N 3.13Å |
| 931 | P | 35.3 | Very low | 49.1 | Very low | 127 Ų | 127 | 91.8 Ų | 91.8 | 83% | 0.825 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 116.7 | 178.1 | 26.7 | -33.8 | 0 | 0 | 0 | 110.2 | ||
| 932 | F | 37.6 | Very low | 51.4 | Low | 167 Ų | 167 | 88.9 Ų | 88.9 | 73% | 0.732 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 139 | 169.2 | -77.7 | -90.8 | 0 | 0 | 0 | 109.4 | P930 T934 | P930-F932 PolarHBondContact O-N 3.2Å; P930-F932 VanDerWaalsContact O-N 3.13Å; F932-T934 PolarHBondContact O-N 3.09Å |
| 933 | P | 42.5 | Very low | 54.1 | Low | 75 Ų | 75 | 80.7 Ų | 80.7 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -63 | 128.2 | 178.1 | 26.3 | -33.4 | 0 | 0 | 0 | 109.9 | T935 T1001 | P933-T935 PolarHBondContact O-N 3.32Å; P933-T935 VanDerWaalsContact O-N 3.08Å; P933-T1001 HydrophobicContact CG-CG2 4.26Å |
| 934 | T | 53 | Low | 56.8 | Low | 80 Ų | 80 | 73.4 Ų | 73.4 | 49% | 0.491 | 45% | 0.449 | S | S | . | . | trans | -63.6 | 108.9 | -177.7 | 33.6 | 0 | 0 | 0 | 0 | 110.9 | F932 V936 | F932-T934 PolarHBondContact O-N 3.09Å; T934-V936 PolarHBondContact O-N 3.42Å | ||
| 935 | T | 60.7 | Low | 59.6 | Low | 74 Ų | 74 | 72 Ų | 72 | 45% | 0.454 | 43% | 0.43 | S | S | . | . | trans | -69.9 | 128.2 | 179.6 | 41.9 | 0 | 0 | 0 | 0 | 111 | P933 T937 T1001 | P933-T935 PolarHBondContact O-N 3.32Å; P933-T935 VanDerWaalsContact O-N 3.08Å; T935-T937 PolarHBondContact O-N 2.98Å; T935-T937 VanDerWaalsContact O-N 3.16Å; T935-T1001 HydrophobicContact CG2-CG2 3.4Å | ||
| 936 | V | 71.1 | Confident | 62.5 | Low | 8 Ų | 8 | 65.9 Ų | 65.9 | 5% | 0.048 | 39% | 0.393 | C | S | . | . | trans | -67.1 | 115.3 | 172.1 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | P918 T934 C940 F941 A975 L976 | P918-V936 HydrophobicContact CG-CG2 4.5Å; T934-V936 PolarHBondContact O-N 3.42Å; V936-C940 HydrophobicContact CG1-CB 4.16Å; V936-F941 HydrophobicContact CG1-CB 4.34Å; V936-A975 HydrophobicContact CG2-CB 3.57Å; V936-A975 WeakPolarHBondContact CG2-O 3.43Å; V936-L976 HydrophobicContact CG1-CD2 4.06Å; V936-L976 HydrophobicContact CG2-CD2 4.31Å | ||
| 937 | T | 79.3 | Confident | 65.6 | Low | 65 Ų | 65 | 62.1 Ų | 62.1 | 40% | 0.399 | 36% | 0.361 | S | S | . | . | trans | -77 | 156.8 | 174.2 | 72.3 | 0 | 0 | 0 | 0 | 110.8 | T935 K939 C940 F941 | T935-T937 PolarHBondContact O-N 2.98Å; T935-T937 VanDerWaalsContact O-N 3.16Å; T937-K939 PolarHBondContact O-N 3Å; T937-C940 WeakPolarHBondContact O-CB 3.47Å; T937-C940 PolarHBondContact O-N 3.02Å; T937-C940 PolarHBondContact OG1-N 3.45Å; T937-C940 VanDerWaalsContact OG1-N 3.13Å; T937-C940 PolarHBondContact OG1-SG 2.91Å; T937-F941 PolarHBondContact O-N 3.2Å | ||
| 938 | A | 78.5 | Confident | 68.6 | Low | 17 Ų | 17 | 57.8 Ų | 57.8 | 14% | 0.14 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.5 | -38.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E879 F941 Q942 F1006 | E879-A938 HydrophobicContact CG-CB 3.79Å; E879-A938 WeakPolarHBondContact OE1-CB 3.33Å; A938-F941 WeakPolarHBondContact O-CB 3.45Å; A938-F941 PolarHBondContact O-N 3.06Å; A938-Q942 WeakPolarHBondContact O-CB 3.4Å; A938-Q942 VanDerWaalsContact O-CG 3.31Å; A938-Q942 WeakPolarHBondContact O-CG 3.47Å; A938-Q942 PolarHBondContact O-N 3.31Å; A938-F1006 HydrophobicContact CB-CE1 4.23Å; A938-F1006 HydrophobicContact CB-CZ 3.85Å |
| 939 | K | 83.2 | Confident | 71.4 | Confident | 46 Ų | 46 | 53.6 Ų | 53.6 | 20% | 0.2 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 172.9 | 169.1 | -178 | 158.7 | -169.2 | 0 | 112.4 | L873 E874 A882 T937 F941 Q942 A943 | L873-K939 HydrophobicContact CD1-CG 4.5Å; L873-K939 WeakPolarHBondContact O-CE 3.44Å; L873-K939 PolarHBondContact O-NZ 3.12Å; E874-K939 PolarHBondContact O-NZ 2.88Å; A882-K939 HydrophobicContact CB-CB 4.24Å; A882-K939 HydrophobicContact CB-CG 4.19Å; T937-K939 PolarHBondContact O-N 3Å; K939-F941 VanDerWaalsContact C-N 3.33Å; K939-F941 PolarHBondContact O-N 3.33Å; K939-Q942 PolarHBondContact O-N 2.84Å; K939-A943 WeakPolarHBondContact O-CB 3.32Å; K939-A943 PolarHBondContact O-N 3.08Å |
| 940 | C | 84.7 | Confident | 74.3 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 175.7 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | V936 T937 A943 G944 | V936-C940 HydrophobicContact CG1-CB 4.16Å; T937-C940 WeakPolarHBondContact O-CB 3.47Å; T937-C940 PolarHBondContact O-N 3.02Å; T937-C940 PolarHBondContact OG1-N 3.45Å; T937-C940 VanDerWaalsContact OG1-N 3.13Å; T937-C940 PolarHBondContact OG1-SG 2.91Å; C940-A943 PolarHBondContact O-N 3.42Å; C940-G944 PolarHBondContact O-N 3.25Å |
| 941 | F | 86.6 | Confident | 77.2 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -46.4 | 175.5 | -165.1 | -86.8 | 0 | 0 | 0 | 112.3 | V936 T937 A938 K939 A943 G944 R945 F972 L976 F1006 E1009 V1013 | V936-F941 HydrophobicContact CG1-CB 4.34Å; T937-F941 PolarHBondContact O-N 3.2Å; A938-F941 WeakPolarHBondContact O-CB 3.45Å; A938-F941 PolarHBondContact O-N 3.06Å; K939-F941 VanDerWaalsContact C-N 3.33Å; K939-F941 PolarHBondContact O-N 3.33Å; F941-A943 PolarHBondContact O-N 3.47Å; F941-G944 PolarHBondContact O-N 3.09Å; F941-R945 HydrophobicContact CD1-CG 4.39Å; F941-R945 HydrophobicContact CE1-CG 4.15Å; F941-R945 PolarHBondContact O-N 2.97Å; F941-F972 HydrophobicContact CD2-CZ 4.33Å; F941-L976 HydrophobicContact CD2-CD2 3.63Å; F941-L976 HydrophobicContact CE2-CD1 4.13Å; F941-L976 HydrophobicContact CE2-CD2 3.79Å; F941-F1006 HydrophobicContact CB-CD1 4.46Å; F941-F1006 HydrophobicContact CB-CE1 4.29Å; F941-F1006 HydrophobicContact CD1-CD1 4.19Å; F941-F1006 HydrophobicContact CD2-CB 4.24Å; F941-F1006 HydrophobicContact CD2-CD1 4.18Å; F941-F1006 HydrophobicContact CD2-CG 4.08Å; F941-F1006 HydrophobicContact CE2-CB 4.02Å; F941-F1006 HydrophobicContact CE2-CG 4.34Å; F941-F1006 HydrophobicContact CG-CD1 4.01Å; F941-F1006 HydrophobicContact CG-CE1 4.3Å; F941-F1006 HydrophobicContact CG-CG 4.36Å; F941-F1006 HydrophobicContact CZ-CB 4.45Å; F941-E1009 HydrophobicContact CE1-CB 3.96Å; F941-E1009 VanDerWaalsContact CE1-OE2 3.29Å; F941-E1009 WeakPolarHBondContact CE1-OE2 3.48Å; F941-E1009 HydrophobicContact CZ-CB 3.86Å; F941-V1013 HydrophobicContact CE1-CG2 4.37Å; F941-V1013 HydrophobicContact CE2-CG2 4.45Å; F941-V1013 HydrophobicContact CZ-CG2 3.78Å |
| 942 | Q | 86 | Confident | 80 | Confident | 42 Ų | 42 | 39.7 Ų | 39.7 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.6 | -43.8 | 173.2 | -73.1 | 175.8 | -11.8 | 0 | 0 | 111.7 | E879 L886 A938 K939 G944 R945 A946 | E879-Q942 PolarHBondContact O-NE2 2.76Å; E879-Q942 VanDerWaalsContact O-NE2 3.07Å; E879-Q942 PolarHBondContact O-OE1 3.38Å; L886-Q942 HydrophobicContact CD1-CB 3.75Å; A938-Q942 WeakPolarHBondContact O-CB 3.4Å; A938-Q942 VanDerWaalsContact O-CG 3.31Å; A938-Q942 WeakPolarHBondContact O-CG 3.47Å; A938-Q942 PolarHBondContact O-N 3.31Å; K939-Q942 PolarHBondContact O-N 2.84Å; Q942-G944 VanDerWaalsContact C-N 3.34Å; Q942-G944 PolarHBondContact O-N 3.46Å; Q942-R945 PolarHBondContact O-N 3Å; Q942-A946 WeakPolarHBondContact O-CB 3.5Å; Q942-A946 PolarHBondContact O-N 3.01Å |
| 943 | A | 89.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -40 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L886 A915 V916 K939 C940 F941 A946 L947 | L886-A943 HydrophobicContact CD1-CB 4.1Å; L886-A943 HydrophobicContact CD2-CB 3.9Å; A915-A943 HydrophobicContact CB-CB 3.85Å; V916-A943 HydrophobicContact CG2-CB 3.99Å; K939-A943 WeakPolarHBondContact O-CB 3.32Å; K939-A943 PolarHBondContact O-N 3.08Å; C940-A943 PolarHBondContact O-N 3.42Å; F941-A943 PolarHBondContact O-N 3.47Å; A943-A946 WeakPolarHBondContact O-CB 3.37Å; A943-A946 PolarHBondContact O-N 3.33Å; A943-L947 WeakPolarHBondContact O-CB 3.46Å; A943-L947 PolarHBondContact O-N 2.92Å |
| 944 | G | 89.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | C940 F941 Q942 L947 L948 | C940-G944 PolarHBondContact O-N 3.25Å; F941-G944 PolarHBondContact O-N 3.09Å; Q942-G944 VanDerWaalsContact C-N 3.34Å; Q942-G944 PolarHBondContact O-N 3.46Å; G944-L947 PolarHBondContact O-N 3.37Å; G944-L948 WeakPolarHBondContact O-CG 3.48Å; G944-L948 PolarHBondContact O-N 2.97Å; G944-L948 VanDerWaalsContact O-N 3.1Å |
| 945 | R | 90.5 | Very high | 86.6 | Confident | 91 Ų | 91 | 31 Ų | 31 | 34% | 0.343 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.3 | -40 | 171.8 | -72.2 | -173.5 | 61.9 | -174.5 | -2.7 | 112.1 | F941 Q942 S949 E1009 V1013 M1016 | F941-R945 HydrophobicContact CD1-CG 4.39Å; F941-R945 HydrophobicContact CE1-CG 4.15Å; F941-R945 PolarHBondContact O-N 2.97Å; Q942-R945 PolarHBondContact O-N 3Å; R945-S949 PolarHBondContact O-N 3.28Å; R945-S949 VanDerWaalsContact O-N 3.1Å; R945-E1009 IonicContact CZ-OE2 3.71Å; R945-E1009 IonicContact NE-OE2 3.59Å; R945-E1009 VanDerWaalsContact NH1-CD 3.28Å; R945-E1009 IonicContact NH1-OE1 2.72Å; R945-E1009 PolarHBondContact NH1-OE1 2.98Å; R945-E1009 IonicContact NH1-OE2 3.94Å; R945-E1009 PolarHBondContact NH1-OE2 3.41Å; R945-V1013 HydrophobicContact CG-CG2 4.31Å; R945-M1016 HydrophobicContact CG-CE 4.17Å |
| 946 | A | 91 | Very high | 88 | Confident | 17 Ų | 17 | 30 Ų | 30 | 14% | 0.14 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T890 Q942 A943 L948 S949 V950 | T890-A946 HydrophobicContact CG2-CB 4.2Å; Q942-A946 WeakPolarHBondContact O-CB 3.5Å; Q942-A946 PolarHBondContact O-N 3.01Å; A943-A946 WeakPolarHBondContact O-CB 3.37Å; A943-A946 PolarHBondContact O-N 3.33Å; A946-L948 PolarHBondContact O-N 3.38Å; A946-S949 PolarHBondContact O-N 3.39Å; A946-V950 WeakPolarHBondContact O-CG2 3.33Å; A946-V950 PolarHBondContact O-N 2.71Å |
| 947 | L | 94 | Very high | 88.9 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.6 | -48.8 | 176.9 | -178.3 | 58.2 | 0 | 0 | 0 | 111.6 | I912 V916 A943 G944 S949 V950 V951 V965 T968 L969 | I912-L947 HydrophobicContact CG2-CB 3.89Å; I912-L947 HydrophobicContact CG2-CD1 4Å; I912-L947 HydrophobicContact CG2-CG 4.48Å; V916-L947 HydrophobicContact CG2-CB 4.23Å; V916-L947 HydrophobicContact CG2-CD2 3.96Å; A943-L947 WeakPolarHBondContact O-CB 3.46Å; A943-L947 PolarHBondContact O-N 2.92Å; G944-L947 PolarHBondContact O-N 3.37Å; L947-S949 PolarHBondContact O-N 2.86Å; L947-V950 PolarHBondContact O-N 2.92Å; L947-V951 HydrophobicContact CD1-CG2 4.24Å; L947-V951 HydrophobicContact CG-CG2 4.48Å; L947-V951 VanDerWaalsContact O-CG2 3.24Å; L947-V951 WeakPolarHBondContact O-CG2 3.38Å; L947-V951 PolarHBondContact O-N 3.38Å; L947-V965 HydrophobicContact CD1-CG1 4.27Å; L947-V965 HydrophobicContact CD1-CG2 4.36Å; L947-T968 HydrophobicContact CD2-CG2 3.95Å; L947-L969 HydrophobicContact CD2-CD2 3.86Å; L947-L969 HydrophobicContact CD2-CG 4.09Å; L947-L969 HydrophobicContact CG-CD2 4.27Å |
| 948 | L | 92 | Very high | 89.4 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.7 | -44.6 | 177.3 | -71 | 172 | 0 | 0 | 0 | 112.5 | G944 A946 V950 V951 F952 L969 V1013 M1016 L1017 | G944-L948 WeakPolarHBondContact O-CG 3.48Å; G944-L948 PolarHBondContact O-N 2.97Å; G944-L948 VanDerWaalsContact O-N 3.1Å; A946-L948 PolarHBondContact O-N 3.38Å; L948-V950 PolarHBondContact O-N 3.05Å; L948-V951 PolarHBondContact O-N 2.89Å; L948-F952 PolarHBondContact O-N 3.01Å; L948-L969 HydrophobicContact CD2-CD1 4.16Å; L948-L969 HydrophobicContact CD2-CD2 3.68Å; L948-L969 HydrophobicContact CG-CD2 4.07Å; L948-V1013 HydrophobicContact CD1-CG1 3.87Å; L948-M1016 HydrophobicContact CB-CB 4.27Å; L948-M1016 HydrophobicContact CD1-CB 4.15Å; L948-L1017 HydrophobicContact CD1-CG 4.24Å; L948-L1017 HydrophobicContact CD2-CD2 3.51Å; L948-L1017 HydrophobicContact CD2-CG 3.78Å |
| 949 | S | 91.6 | Very high | 89.9 | Confident | 61 Ų | 61 | 32.3 Ų | 32.3 | 43% | 0.427 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 176.4 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | R945 A946 L947 F952 N953 | R945-S949 PolarHBondContact O-N 3.28Å; R945-S949 VanDerWaalsContact O-N 3.1Å; A946-S949 PolarHBondContact O-N 3.39Å; L947-S949 PolarHBondContact O-N 2.86Å; S949-F952 PolarHBondContact O-N 3.47Å; S949-N953 PolarHBondContact O-N 3.14Å; S949-N953 PolarHBondContact O-ND2 3.38Å |
| 950 | V | 92.4 | Very high | 90 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.1 | -44.5 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | T890 L893 I912 A946 L947 L948 F952 N953 Y954 F958 | T890-V950 HydrophobicContact CG2-CG2 3.4Å; T890-V950 VanDerWaalsContact CG2-CG2 3.4Å; L893-V950 HydrophobicContact CD2-CB 4.49Å; L893-V950 HydrophobicContact CD2-CG1 3.33Å; L893-V950 HydrophobicContact CD2-CG2 4.41Å; L893-V950 HydrophobicContact CG-CG1 3.93Å; I912-V950 HydrophobicContact CD1-CG2 4.36Å; A946-V950 WeakPolarHBondContact O-CG2 3.33Å; A946-V950 PolarHBondContact O-N 2.71Å; L947-V950 PolarHBondContact O-N 2.92Å; L948-V950 PolarHBondContact O-N 3.05Å; V950-F952 VanDerWaalsContact C-N 3.32Å; V950-F952 PolarHBondContact O-N 3.01Å; V950-N953 PolarHBondContact O-N 3Å; V950-Y954 HydrophobicContact CG1-CD2 4Å; V950-Y954 WeakPolarHBondContact O-CB 3.5Å; V950-Y954 PolarHBondContact O-N 2.65Å; V950-F958 HydrophobicContact CG1-CE1 3.96Å; V950-F958 HydrophobicContact CG1-CZ 3.69Å |
| 951 | V | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.3 | -44.4 | 178.9 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | L947 L948 N953 G955 F958 W962 V965 V1020 | L947-V951 HydrophobicContact CD1-CG2 4.24Å; L947-V951 HydrophobicContact CG-CG2 4.48Å; L947-V951 VanDerWaalsContact O-CG2 3.24Å; L947-V951 WeakPolarHBondContact O-CG2 3.38Å; L947-V951 PolarHBondContact O-N 3.38Å; L948-V951 PolarHBondContact O-N 2.89Å; V951-N953 VanDerWaalsContact C-N 3.35Å; V951-N953 PolarHBondContact O-N 3.03Å; V951-G955 VanDerWaalsContact O-CA 3.31Å; V951-G955 WeakPolarHBondContact O-CA 3.48Å; V951-G955 PolarHBondContact O-N 2.86Å; V951-F958 HydrophobicContact CG2-CE2 3.64Å; V951-F958 HydrophobicContact CG2-CZ 3.97Å; V951-W962 HydrophobicContact CG1-CH2 3.54Å; V951-W962 HydrophobicContact CG1-CZ3 3.67Å; V951-V965 HydrophobicContact CG2-CG1 3.7Å; V951-V1020 HydrophobicContact CB-CG2 4.13Å; V951-V1020 HydrophobicContact CG1-CB 4.36Å; V951-V1020 HydrophobicContact CG1-CG1 3.5Å; V951-V1020 HydrophobicContact CG1-CG2 3.87Å |
| 952 | F | 92.7 | Very high | 90.7 | Very high | 71 Ų | 71 | 37.5 Ų | 37.5 | 31% | 0.311 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.9 | -39.4 | 177.6 | -179.1 | -95.9 | 0 | 0 | 0 | 113.2 | L948 S949 V950 D1019 V1020 R1023 | L948-F952 PolarHBondContact O-N 3.01Å; S949-F952 PolarHBondContact O-N 3.47Å; V950-F952 VanDerWaalsContact C-N 3.32Å; V950-F952 PolarHBondContact O-N 3.01Å; F952-D1019 HydrophobicContact CD2-CB 4.03Å; F952-D1019 HydrophobicContact CE2-CB 3.93Å; F952-V1020 HydrophobicContact CB-CG2 3.88Å; F952-R1023 HydrophobicContact CD2-CB 4.16Å; F952-R1023 HydrophobicContact CD2-CG 4.3Å; F952-R1023 HydrophobicContact CE2-CB 4.22Å; F952-R1023 HydrophobicContact CE2-CG 4.32Å |
| 953 | N | 90.3 | Very high | 91.1 | Very high | 83 Ų | 83 | 38.2 Ų | 38.2 | 44% | 0.444 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -86.9 | -31 | -175.4 | -74.7 | -76.6 | 0 | 0 | 0 | 114 | S949 V950 V951 | S949-N953 PolarHBondContact O-N 3.14Å; S949-N953 PolarHBondContact O-ND2 3.38Å; V950-N953 PolarHBondContact O-N 3Å; V951-N953 VanDerWaalsContact C-N 3.35Å; V951-N953 PolarHBondContact O-N 3.03Å |
| 954 | Y | 92.5 | Very high | 91.1 | Very high | 58 Ų | 58 | 41.1 Ų | 41.1 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -132 | 2.6 | -167.4 | -54.7 | -71.8 | 0 | 0 | 0 | 114.9 | S894 C897 V950 P956 F957 F958 | S894-Y954 VanDerWaalsContact CB-OH 3.25Å; S894-Y954 WeakPolarHBondContact CB-OH 3.34Å; S894-Y954 PolarHBondContact OG-OH 3.39Å; C897-Y954 HydrophobicContact CB-CD1 4.04Å; V950-Y954 HydrophobicContact CG1-CD2 4Å; V950-Y954 WeakPolarHBondContact O-CB 3.5Å; V950-Y954 PolarHBondContact O-N 2.65Å; Y954-P956 VanDerWaalsContact C-N 3.29Å; Y954-P956 VanDerWaalsContact O-N 3.11Å; Y954-F957 WeakPolarHBondContact O-CD2 3.18Å; Y954-F957 PolarHBondContact O-N 3.25Å; Y954-F958 WeakPolarHBondContact O-CD1 3.48Å |
| 955 | G | 90 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -45.2 | -38.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | V951 F957 F958 W962 | V951-G955 VanDerWaalsContact O-CA 3.31Å; V951-G955 WeakPolarHBondContact O-CA 3.48Å; V951-G955 PolarHBondContact O-N 2.86Å; G955-F957 PolarHBondContact O-N 2.98Å; G955-F958 PolarHBondContact O-N 3.29Å; G955-W962 VanDerWaalsContact O-CZ2 3.31Å; G955-W962 WeakPolarHBondContact O-CZ2 3.37Å; G955-W962 PolarHBondContact O-NE1 3.1Å; G955-W962 VanDerWaalsContact O-NE1 3.12Å |
| 956 | P | 89.6 | Confident | 91.4 | Very high | 53 Ų | 53 | 37 Ų | 37 | 34% | 0.344 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -53 | -26.4 | 176.1 | -30.5 | 36.6 | 0 | 0 | 0 | 115.6 | Y954 Y1027 | Y954-P956 VanDerWaalsContact C-N 3.29Å; Y954-P956 VanDerWaalsContact O-N 3.11Å; P956-Y1027 HydrophobicContact CG-CD1 3.65Å; P956-Y1027 HydrophobicContact CG-CE1 3.66Å; P956-Y1027 HydrophobicContact CG-CG 4.44Å |
| 957 | F | 89.5 | Confident | 91.5 | Very high | 101 Ų | 101 | 38 Ų | 38 | 44% | 0.443 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -95.3 | -10.3 | -174 | -57 | -78.2 | 0 | 0 | 0 | 113.8 | C897 R905 Y954 G955 G959 | C897-F957 HydrophobicContact CB-CD2 4.26Å; C897-F957 HydrophobicContact CB-CG 4.41Å; R905-F957 VanDerWaalsContact CZ-O 3.3Å; R905-F957 PolarHBondContact NE-O 3.26Å; R905-F957 PolarHBondContact NH2-O 2.81Å; R905-F957 VanDerWaalsContact NH2-O 3.09Å; Y954-F957 WeakPolarHBondContact O-CD2 3.18Å; Y954-F957 PolarHBondContact O-N 3.25Å; G955-F957 PolarHBondContact O-N 2.98Å; F957-G959 VanDerWaalsContact C-N 3.31Å; F957-G959 PolarHBondContact O-N 2.66Å |
| 958 | F | 90.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | trans | -64.2 | -29 | -165.8 | -84.5 | 27.7 | 0 | 0 | 0 | 114.8 | I909 V950 V951 Y954 G955 S961 W962 V965 | I909-F958 HydrophobicContact CD1-CB 4.37Å; I909-F958 HydrophobicContact CD1-CD1 3.65Å; I909-F958 HydrophobicContact CD1-CD2 4.07Å; I909-F958 HydrophobicContact CD1-CE1 3.82Å; I909-F958 HydrophobicContact CD1-CE2 4.22Å; I909-F958 HydrophobicContact CD1-CG 3.77Å; I909-F958 HydrophobicContact CD1-CZ 4.1Å; I909-F958 HydrophobicContact CG1-CE1 4.23Å; I909-F958 HydrophobicContact CG1-CE2 4.41Å; I909-F958 HydrophobicContact CG1-CZ 4.16Å; I909-F958 HydrophobicContact CG2-CE2 4.44Å; V950-F958 HydrophobicContact CG1-CE1 3.96Å; V950-F958 HydrophobicContact CG1-CZ 3.69Å; V951-F958 HydrophobicContact CG2-CE2 3.64Å; V951-F958 HydrophobicContact CG2-CZ 3.97Å; Y954-F958 WeakPolarHBondContact O-CD1 3.48Å; G955-F958 PolarHBondContact O-N 3.29Å; F958-S961 VanDerWaalsContact O-CB 3.22Å; F958-S961 WeakPolarHBondContact O-CB 3.41Å; F958-S961 PolarHBondContact O-N 2.89Å; F958-S961 PolarHBondContact O-OG 3.14Å; F958-W962 HydrophobicContact CB-CD2 4.26Å; F958-W962 HydrophobicContact CB-CG 4.12Å; F958-W962 HydrophobicContact CD2-CD2 4.28Å; F958-W962 HydrophobicContact CD2-CE3 4.46Å; F958-V965 HydrophobicContact CD2-CG2 3.87Å; F958-V965 HydrophobicContact CE2-CB 4.47Å; F958-V965 HydrophobicContact CE2-CG1 4.19Å; F958-V965 HydrophobicContact CE2-CG2 3.71Å | ||
| 959 | G | 88.5 | Confident | 91.4 | Very high | 32 Ų | 32 | 38.5 Ų | 38.5 | 33% | 0.33 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | -140.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F957 S961 W962 V1034 | F957-G959 VanDerWaalsContact C-N 3.31Å; F957-G959 PolarHBondContact O-N 2.66Å; G959-S961 PolarHBondContact O-N 2.75Å; G959-W962 PolarHBondContact O-N 2.6Å; G959-W962 VanDerWaalsContact O-N 3.11Å; G959-V1034 WeakPolarHBondContact O-CG1 3.3Å |
| 960 | D | 86.6 | Confident | 91.3 | Very high | 145 Ų | 145 | 36.6 Ų | 36.6 | 78% | 0.775 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -17.3 | -176.8 | -51.6 | -41.3 | 0 | 0 | 0 | 113.6 | W962 F963 | D960-W962 PolarHBondContact O-N 3.16Å; D960-W962 VanDerWaalsContact O-N 3.07Å; D960-F963 PolarHBondContact O-N 2.86Å |
| 961 | S | 92 | Very high | 91 | Very high | 19 Ų | 19 | 42.4 Ų | 42.4 | 13% | 0.133 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.8 | -19.7 | 174 | -53 | 0 | 0 | 0 | 0 | 113.4 | F958 G959 F963 S964 V965 | F958-S961 VanDerWaalsContact O-CB 3.22Å; F958-S961 WeakPolarHBondContact O-CB 3.41Å; F958-S961 PolarHBondContact O-N 2.89Å; F958-S961 PolarHBondContact O-OG 3.14Å; G959-S961 PolarHBondContact O-N 2.75Å; S961-F963 PolarHBondContact O-N 3.26Å; S961-S964 PolarHBondContact O-N 2.99Å; S961-V965 VanDerWaalsContact O-CG2 3.3Å; S961-V965 WeakPolarHBondContact O-CG2 3.44Å; S961-V965 PolarHBondContact O-N 3.04Å |
| 962 | W | 93.8 | Very high | 90.8 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -52.7 | -37.3 | 176 | -87.8 | 116.8 | 0 | 0 | 0 | 113.3 | V951 G955 F958 G959 D960 V965 F966 Y1027 V1035 A1038 | V951-W962 HydrophobicContact CG1-CH2 3.54Å; V951-W962 HydrophobicContact CG1-CZ3 3.67Å; G955-W962 VanDerWaalsContact O-CZ2 3.31Å; G955-W962 WeakPolarHBondContact O-CZ2 3.37Å; G955-W962 PolarHBondContact O-NE1 3.1Å; G955-W962 VanDerWaalsContact O-NE1 3.12Å; F958-W962 HydrophobicContact CB-CD2 4.26Å; F958-W962 HydrophobicContact CB-CG 4.12Å; F958-W962 HydrophobicContact CD2-CD2 4.28Å; F958-W962 HydrophobicContact CD2-CE3 4.46Å; G959-W962 PolarHBondContact O-N 2.6Å; G959-W962 VanDerWaalsContact O-N 3.11Å; D960-W962 PolarHBondContact O-N 3.16Å; D960-W962 VanDerWaalsContact O-N 3.07Å; W962-V965 HydrophobicContact CE3-CG1 4.48Å; W962-V965 PolarHBondContact O-N 3.24Å; W962-F966 HydrophobicContact CB-CD2 4.44Å; W962-F966 HydrophobicContact CB-CE2 4.25Å; W962-F966 HydrophobicContact CD2-CE2 4.1Å; W962-F966 HydrophobicContact CD2-CZ 4.34Å; W962-F966 HydrophobicContact CE3-CD2 4.1Å; W962-F966 HydrophobicContact CE3-CE1 4.04Å; W962-F966 AromaticContact CE3-CE2 3.4Å; W962-F966 HydrophobicContact CE3-CE2 3.4Å; W962-F966 VanDerWaalsContact CE3-CE2 3.4Å; W962-F966 AromaticContact CE3-CZ 3.36Å; W962-F966 HydrophobicContact CE3-CZ 3.36Å; W962-F966 HydrophobicContact CG-CE2 4.49Å; W962-F966 HydrophobicContact CH2-CZ 4.47Å; W962-F966 AromaticContact CZ3-CE1 3.89Å; W962-F966 HydrophobicContact CZ3-CE1 3.89Å; W962-F966 HydrophobicContact CZ3-CE2 4.01Å; W962-F966 AromaticContact CZ3-CZ 3.45Å; W962-F966 HydrophobicContact CZ3-CZ 3.45Å; W962-F966 VanDerWaalsContact CZ3-CZ 3.45Å; W962-F966 WeakPolarHBondContact O-CD2 2.89Å; W962-F966 WeakPolarHBondContact O-CG 3.45Å; W962-F966 PolarHBondContact O-N 3.11Å; W962-Y1027 HydrophobicContact CH2-CE2 4.13Å; W962-Y1027 AromaticContact CZ2-CE2 3.68Å; W962-Y1027 HydrophobicContact CZ2-CE2 3.68Å; W962-V1035 HydrophobicContact CD2-CG1 4.14Å; W962-V1035 HydrophobicContact CD2-CG2 4.16Å; W962-V1035 HydrophobicContact CE3-CG1 4.22Å; W962-V1035 HydrophobicContact CG-CG2 4.34Å; W962-V1035 HydrophobicContact CH2-CG1 4.47Å; W962-V1035 HydrophobicContact CZ2-CG1 4.42Å; W962-V1035 HydrophobicContact CZ2-CG2 3.97Å; W962-V1035 HydrophobicContact CZ3-CG1 4.38Å; W962-A1038 HydrophobicContact CB-CB 3.95Å |
| 963 | F | 92.7 | Very high | 90.5 | Very high | 57 Ų | 57 | 39.5 Ų | 39.5 | 25% | 0.25 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.7 | -50.6 | 178.5 | -179.6 | -92.5 | 0 | 0 | 0 | 111.9 | D960 S961 V965 F966 Q967 A1038 D1041 L1042 | D960-F963 PolarHBondContact O-N 2.86Å; S961-F963 PolarHBondContact O-N 3.26Å; F963-V965 VanDerWaalsContact C-N 3.26Å; F963-V965 PolarHBondContact O-N 3.18Å; F963-F966 PolarHBondContact O-N 3.36Å; F963-Q967 WeakPolarHBondContact O-CB 3.31Å; F963-Q967 PolarHBondContact O-N 2.78Å; F963-A1038 HydrophobicContact CB-CB 4.08Å; F963-D1041 HydrophobicContact CD2-CB 4.37Å; F963-D1041 HydrophobicContact CE2-CB 4.16Å; F963-L1042 HydrophobicContact CE2-CB 4.12Å; F963-L1042 HydrophobicContact CE2-CD1 4.48Å |
| 964 | S | 90.1 | Very high | 90.1 | Very high | 62 Ų | 62 | 38 Ų | 38 | 43% | 0.434 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.8 | -36.2 | 177.2 | -56 | 0 | 0 | 0 | 0 | 112.4 | S961 T968 | S961-S964 PolarHBondContact O-N 2.99Å; S964-T968 VanDerWaalsContact O-CB 3.3Å; S964-T968 WeakPolarHBondContact O-CB 3.35Å; S964-T968 PolarHBondContact O-N 2.91Å; S964-T968 PolarHBondContact O-OG1 3.31Å |
| 965 | V | 94 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.1 | -49 | 176.8 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | I909 L947 V951 F958 S961 W962 F963 T968 L969 | I909-V965 HydrophobicContact CG2-CG2 3.4Å; L947-V965 HydrophobicContact CD1-CG1 4.27Å; L947-V965 HydrophobicContact CD1-CG2 4.36Å; V951-V965 HydrophobicContact CG2-CG1 3.7Å; F958-V965 HydrophobicContact CD2-CG2 3.87Å; F958-V965 HydrophobicContact CE2-CB 4.47Å; F958-V965 HydrophobicContact CE2-CG1 4.19Å; F958-V965 HydrophobicContact CE2-CG2 3.71Å; S961-V965 VanDerWaalsContact O-CG2 3.3Å; S961-V965 WeakPolarHBondContact O-CG2 3.44Å; S961-V965 PolarHBondContact O-N 3.04Å; W962-V965 HydrophobicContact CE3-CG1 4.48Å; W962-V965 PolarHBondContact O-N 3.24Å; F963-V965 VanDerWaalsContact C-N 3.26Å; F963-V965 PolarHBondContact O-N 3.18Å; V965-T968 PolarHBondContact O-N 2.99Å; V965-L969 HydrophobicContact CG1-CD1 4.13Å; V965-L969 WeakPolarHBondContact O-CG 3.32Å; V965-L969 PolarHBondContact O-N 2.81Å |
| 966 | F | 94 | Very high | 89.1 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.9 | -39.6 | 177 | -70.7 | -52.7 | 0 | 0 | 0 | 112.5 | W962 F963 T968 L969 Q970 V1035 A1038 L1039 L1042 F1060 | W962-F966 HydrophobicContact CB-CD2 4.44Å; W962-F966 HydrophobicContact CB-CE2 4.25Å; W962-F966 HydrophobicContact CD2-CE2 4.1Å; W962-F966 HydrophobicContact CD2-CZ 4.34Å; W962-F966 HydrophobicContact CE3-CD2 4.1Å; W962-F966 HydrophobicContact CE3-CE1 4.04Å; W962-F966 AromaticContact CE3-CE2 3.4Å; W962-F966 HydrophobicContact CE3-CE2 3.4Å; W962-F966 VanDerWaalsContact CE3-CE2 3.4Å; W962-F966 AromaticContact CE3-CZ 3.36Å; W962-F966 HydrophobicContact CE3-CZ 3.36Å; W962-F966 HydrophobicContact CG-CE2 4.49Å; W962-F966 HydrophobicContact CH2-CZ 4.47Å; W962-F966 AromaticContact CZ3-CE1 3.89Å; W962-F966 HydrophobicContact CZ3-CE1 3.89Å; W962-F966 HydrophobicContact CZ3-CE2 4.01Å; W962-F966 AromaticContact CZ3-CZ 3.45Å; W962-F966 HydrophobicContact CZ3-CZ 3.45Å; W962-F966 VanDerWaalsContact CZ3-CZ 3.45Å; W962-F966 WeakPolarHBondContact O-CD2 2.89Å; W962-F966 WeakPolarHBondContact O-CG 3.45Å; W962-F966 PolarHBondContact O-N 3.11Å; F963-F966 PolarHBondContact O-N 3.36Å; F966-T968 VanDerWaalsContact C-N 3.26Å; F966-T968 PolarHBondContact O-N 3.1Å; F966-L969 PolarHBondContact O-N 2.85Å; F966-Q970 WeakPolarHBondContact O-CB 3.2Å; F966-Q970 PolarHBondContact O-N 2.84Å; F966-V1035 HydrophobicContact CE2-CG1 3.57Å; F966-V1035 HydrophobicContact CZ-CG1 3.49Å; F966-V1035 VanDerWaalsContact CZ-CG1 3.49Å; F966-A1038 HydrophobicContact CD2-CB 4.09Å; F966-A1038 HydrophobicContact CE2-CB 4.38Å; F966-L1039 HydrophobicContact CB-CD2 4.34Å; F966-L1039 HydrophobicContact CD1-CD2 3.81Å; F966-L1039 HydrophobicContact CD2-CD2 3.7Å; F966-L1039 HydrophobicContact CD2-CG 3.82Å; F966-L1039 HydrophobicContact CE1-CD2 3.93Å; F966-L1039 HydrophobicContact CE1-CG 4.39Å; F966-L1039 HydrophobicContact CE2-CD1 4.09Å; F966-L1039 HydrophobicContact CE2-CD2 3.83Å; F966-L1039 HydrophobicContact CE2-CG 3.57Å; F966-L1039 HydrophobicContact CG-CD2 3.71Å; F966-L1039 HydrophobicContact CG-CG 4.34Å; F966-L1039 HydrophobicContact CZ-CD1 3.96Å; F966-L1039 HydrophobicContact CZ-CD2 3.93Å; F966-L1039 HydrophobicContact CZ-CG 3.88Å; F966-L1042 HydrophobicContact CB-CD2 3.68Å; F966-F1060 HydrophobicContact CB-CE1 4.17Å; F966-F1060 AromaticContact CD1-CE1 3.98Å; F966-F1060 HydrophobicContact CD1-CE1 3.98Å; F966-F1060 HydrophobicContact CD1-CZ 4.04Å; F966-F1060 WeakPolarHBondContact O-CE1 3.2Å |
| 967 | Q | 91.4 | Very high | 88.7 | Confident | 39 Ų | 39 | 37.4 Ų | 37.4 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63 | -35.3 | 175.2 | -163 | -177.2 | 79 | 0 | 0 | 111.3 | F963 R971 L1042 E1045 | F963-Q967 WeakPolarHBondContact O-CB 3.31Å; F963-Q967 PolarHBondContact O-N 2.78Å; Q967-R971 WeakPolarHBondContact O-CG 3.4Å; Q967-R971 PolarHBondContact O-N 2.79Å; Q967-R971 VanDerWaalsContact O-N 3.15Å; Q967-L1042 HydrophobicContact CB-CD1 4.04Å; Q967-L1042 HydrophobicContact CG-CD1 3.93Å; Q967-E1045 PolarHBondContact NE2-OE2 3.14Å |
| 968 | T | 92.1 | Very high | 88.3 | Confident | 9 Ų | 9 | 32.8 Ų | 32.8 | 6% | 0.055 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.3 | -44.1 | 174.2 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | C913 V916 V917 L947 S964 V965 F966 Q970 R971 F972 | C913-T968 HydrophobicContact CB-CG2 3.97Å; C913-T968 WeakPolarHBondContact CB-OG1 3.44Å; C913-T968 WeakPolarHBondContact O-CG2 3.47Å; V916-T968 HydrophobicContact CB-CG2 3.73Å; V916-T968 HydrophobicContact CG1-CG2 4.12Å; V916-T968 HydrophobicContact CG2-CG2 4.04Å; V917-T968 HydrophobicContact CG2-CG2 4.29Å; L947-T968 HydrophobicContact CD2-CG2 3.95Å; S964-T968 VanDerWaalsContact O-CB 3.3Å; S964-T968 WeakPolarHBondContact O-CB 3.35Å; S964-T968 PolarHBondContact O-N 2.91Å; S964-T968 PolarHBondContact O-OG1 3.31Å; V965-T968 PolarHBondContact O-N 2.99Å; F966-T968 VanDerWaalsContact C-N 3.26Å; F966-T968 PolarHBondContact O-N 3.1Å; T968-Q970 VanDerWaalsContact C-N 3.29Å; T968-Q970 PolarHBondContact O-N 3.01Å; T968-R971 PolarHBondContact O-N 2.73Å; T968-F972 WeakPolarHBondContact O-CB 3.34Å; T968-F972 PolarHBondContact O-N 2.78Å |
| 969 | L | 91.7 | Very high | 88 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.9 | -35.7 | 176.2 | -71.2 | 174.4 | 0 | 0 | 0 | 112.1 | L947 L948 V965 F966 F972 L973 F1060 | L947-L969 HydrophobicContact CD2-CD2 3.86Å; L947-L969 HydrophobicContact CD2-CG 4.09Å; L947-L969 HydrophobicContact CG-CD2 4.27Å; L948-L969 HydrophobicContact CD2-CD1 4.16Å; L948-L969 HydrophobicContact CD2-CD2 3.68Å; L948-L969 HydrophobicContact CG-CD2 4.07Å; V965-L969 HydrophobicContact CG1-CD1 4.13Å; V965-L969 WeakPolarHBondContact O-CG 3.32Å; V965-L969 PolarHBondContact O-N 2.81Å; F966-L969 PolarHBondContact O-N 2.85Å; L969-F972 PolarHBondContact O-N 2.83Å; L969-L973 WeakPolarHBondContact O-CG 3.33Å; L969-L973 PolarHBondContact O-N 2.85Å; L969-F1060 HydrophobicContact CB-CE1 3.96Å; L969-F1060 HydrophobicContact CB-CE2 4.25Å; L969-F1060 HydrophobicContact CB-CZ 3.57Å; L969-F1060 HydrophobicContact CD1-CZ 4.2Å |
| 970 | Q | 89.7 | Confident | 88 | Confident | 20 Ų | 20 | 33.7 Ų | 33.7 | 9% | 0.093 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.1 | -47 | 171.5 | -171.7 | 155.9 | -78.2 | 0 | 0 | 111.9 | F966 T968 F972 S974 Q1058 F1060 | F966-Q970 WeakPolarHBondContact O-CB 3.2Å; F966-Q970 PolarHBondContact O-N 2.84Å; T968-Q970 VanDerWaalsContact C-N 3.29Å; T968-Q970 PolarHBondContact O-N 3.01Å; Q970-F972 VanDerWaalsContact C-N 3.35Å; Q970-F972 PolarHBondContact O-N 2.94Å; Q970-S974 WeakPolarHBondContact O-CB 3.41Å; Q970-S974 PolarHBondContact O-N 2.84Å; Q970-Q1058 HydrophobicContact CG-CB 3.89Å; Q970-Q1058 HydrophobicContact CG-CG 4.32Å; Q970-F1060 HydrophobicContact CB-CB 4.3Å; Q970-F1060 HydrophobicContact CB-CD1 3.68Å; Q970-F1060 HydrophobicContact CB-CE1 4.39Å; Q970-F1060 HydrophobicContact CB-CG 4.24Å; Q970-F1060 HydrophobicContact CG-CB 4.06Å; Q970-F1060 HydrophobicContact CG-CD1 4.28Å |
| 971 | R | 86.9 | Confident | 87.9 | Confident | 126 Ų | 126 | 31.3 Ų | 31.3 | 48% | 0.475 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63 | -39.7 | 175.3 | -72.3 | 174.9 | -175.6 | 144.2 | 8.9 | 112 | Q967 T968 S974 A975 | Q967-R971 WeakPolarHBondContact O-CG 3.4Å; Q967-R971 PolarHBondContact O-N 2.79Å; Q967-R971 VanDerWaalsContact O-N 3.15Å; T968-R971 PolarHBondContact O-N 2.73Å; R971-S974 PolarHBondContact O-N 2.79Å; R971-A975 WeakPolarHBondContact O-CB 3.38Å; R971-A975 PolarHBondContact O-N 3.39Å |
| 972 | F | 87.7 | Confident | 87.6 | Confident | 5 Ų | 5 | 32.9 Ų | 32.9 | 2% | 0.022 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.8 | -52.8 | 178.1 | -176.9 | -125.1 | 0 | 0 | 0 | 111.7 | V916 F941 T968 L969 Q970 S974 A975 L976 V1013 | V916-F972 HydrophobicContact CG1-CB 3.64Å; V916-F972 HydrophobicContact CG1-CD1 4.41Å; V916-F972 HydrophobicContact CG1-CD2 3.31Å; V916-F972 HydrophobicContact CG1-CE2 4.04Å; V916-F972 HydrophobicContact CG1-CG 3.54Å; F941-F972 HydrophobicContact CD2-CZ 4.33Å; T968-F972 WeakPolarHBondContact O-CB 3.34Å; T968-F972 PolarHBondContact O-N 2.78Å; L969-F972 PolarHBondContact O-N 2.83Å; Q970-F972 VanDerWaalsContact C-N 3.35Å; Q970-F972 PolarHBondContact O-N 2.94Å; F972-S974 VanDerWaalsContact C-N 3.31Å; F972-S974 PolarHBondContact O-N 3.49Å; F972-A975 PolarHBondContact O-N 2.89Å; F972-A975 VanDerWaalsContact O-N 3.09Å; F972-L976 HydrophobicContact CD1-CD1 4.19Å; F972-L976 HydrophobicContact CD2-CG 4.46Å; F972-L976 HydrophobicContact CE1-CD1 3.73Å; F972-L976 HydrophobicContact CE2-CD1 4.1Å; F972-L976 HydrophobicContact CE2-CD2 4.25Å; F972-L976 HydrophobicContact CE2-CG 4.21Å; F972-L976 HydrophobicContact CZ-CD1 3.68Å; F972-L976 HydrophobicContact CZ-CD2 4.45Å; F972-L976 HydrophobicContact CZ-CG 4.29Å; F972-L976 WeakPolarHBondContact O-CG 3.44Å; F972-L976 PolarHBondContact O-N 2.94Å; F972-V1013 HydrophobicContact CE1-CG1 4.12Å |
| 973 | L | 86.3 | Confident | 87.1 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.6 | -41.7 | 176.7 | -73.2 | 171.6 | 0 | 0 | 0 | 112 | L969 A975 L976 R977 L978 L1017 F1060 | L969-L973 WeakPolarHBondContact O-CG 3.33Å; L969-L973 PolarHBondContact O-N 2.85Å; L973-A975 VanDerWaalsContact C-N 3.32Å; L973-A975 PolarHBondContact O-N 3.05Å; L973-L976 CarbonylContact O-C 3.47Å; L973-L976 PolarHBondContact O-N 2.92Å; L973-R977 PolarHBondContact O-N 3.14Å; L973-R977 VanDerWaalsContact O-N 3.14Å; L973-L978 HydrophobicContact CB-CB 4.39Å; L973-L978 HydrophobicContact CD2-CB 3.83Å; L973-L978 HydrophobicContact CD2-CD1 3.82Å; L973-L978 HydrophobicContact CD2-CG 4.48Å; L973-L978 PolarHBondContact O-N 3.14Å; L973-L1017 HydrophobicContact CD1-CD1 3.96Å; L973-L1017 HydrophobicContact CD2-CD1 3.86Å; L973-L1017 HydrophobicContact CG-CD1 4.32Å; L973-F1060 HydrophobicContact CD1-CB 4.47Å; L973-F1060 HydrophobicContact CD1-CD2 3.34Å; L973-F1060 HydrophobicContact CD1-CE2 3.82Å; L973-F1060 HydrophobicContact CD1-CG 4.14Å |
| 974 | S | 83.1 | Confident | 86.3 | Confident | 51 Ų | 51 | 40.6 Ų | 40.6 | 36% | 0.357 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62 | -37.3 | 174.8 | -169.4 | 0 | 0 | 0 | 0 | 112.8 | Q970 R971 F972 R977 Q1058 | Q970-S974 WeakPolarHBondContact O-CB 3.41Å; Q970-S974 PolarHBondContact O-N 2.84Å; R971-S974 PolarHBondContact O-N 2.79Å; F972-S974 VanDerWaalsContact C-N 3.31Å; F972-S974 PolarHBondContact O-N 3.49Å; S974-R977 PolarHBondContact O-N 3.08Å; S974-R977 VanDerWaalsContact O-N 3.14Å; S974-Q1058 PolarHBondContact OG-NE2 3.41Å |
| 975 | A | 80 | Confident | 85.5 | Confident | 30 Ų | 30 | 41.4 Ų | 41.4 | 25% | 0.248 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.1 | -30.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V936 R971 F972 L973 R977 | V936-A975 HydrophobicContact CG2-CB 3.57Å; V936-A975 WeakPolarHBondContact CG2-O 3.43Å; R971-A975 WeakPolarHBondContact O-CB 3.38Å; R971-A975 PolarHBondContact O-N 3.39Å; F972-A975 PolarHBondContact O-N 2.89Å; F972-A975 VanDerWaalsContact O-N 3.09Å; L973-A975 VanDerWaalsContact C-N 3.32Å; L973-A975 PolarHBondContact O-N 3.05Å; A975-R977 PolarHBondContact O-N 3.31Å |
| 976 | L | 81 | Confident | 84.4 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -1.2 | 168.4 | -60 | -178.3 | 0 | 0 | 0 | 113.7 | V936 F941 F972 L973 L978 F1002 | V936-L976 HydrophobicContact CG1-CD2 4.06Å; V936-L976 HydrophobicContact CG2-CD2 4.31Å; F941-L976 HydrophobicContact CD2-CD2 3.63Å; F941-L976 HydrophobicContact CE2-CD1 4.13Å; F941-L976 HydrophobicContact CE2-CD2 3.79Å; F972-L976 HydrophobicContact CD1-CD1 4.19Å; F972-L976 HydrophobicContact CD2-CG 4.46Å; F972-L976 HydrophobicContact CE1-CD1 3.73Å; F972-L976 HydrophobicContact CE2-CD1 4.1Å; F972-L976 HydrophobicContact CE2-CD2 4.25Å; F972-L976 HydrophobicContact CE2-CG 4.21Å; F972-L976 HydrophobicContact CZ-CD1 3.68Å; F972-L976 HydrophobicContact CZ-CD2 4.45Å; F972-L976 HydrophobicContact CZ-CG 4.29Å; F972-L976 WeakPolarHBondContact O-CG 3.44Å; F972-L976 PolarHBondContact O-N 2.94Å; L973-L976 CarbonylContact O-C 3.47Å; L973-L976 PolarHBondContact O-N 2.92Å; L976-L978 HydrophobicContact CB-CB 4.41Å; L976-L978 HydrophobicContact CB-CD1 3.88Å; L976-L978 HydrophobicContact CB-CG 3.82Å; L976-L978 HydrophobicContact CD1-CD1 3.84Å; L976-L978 PolarHBondContact O-N 2.92Å; L976-F1002 HydrophobicContact CD2-CE2 4.08Å; L976-F1002 HydrophobicContact CD2-CZ 3.97Å |
| 977 | R | 80.2 | Confident | 83.8 | Confident | 69 Ų | 69 | 46.3 Ų | 46.3 | 26% | 0.26 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 34.8 | -170.3 | -57.3 | -175.3 | 176.5 | -139.4 | 1.6 | 113.3 | L973 S974 A975 H992 D993 | L973-R977 PolarHBondContact O-N 3.14Å; L973-R977 VanDerWaalsContact O-N 3.14Å; S974-R977 PolarHBondContact O-N 3.08Å; S974-R977 VanDerWaalsContact O-N 3.14Å; A975-R977 PolarHBondContact O-N 3.31Å; R977-H992 WeakPolarHBondContact O-CA 3.26Å; R977-D993 HydrophobicContact CB-CB 4.44Å; R977-D993 PolarHBondContact O-N 3.47Å |
| 978 | L | 83.1 | Confident | 83.4 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.5 | 176.7 | -67.8 | 178.9 | 0 | 0 | 0 | 110.3 | L973 L976 I990 H992 I1010 | L973-L978 HydrophobicContact CB-CB 4.39Å; L973-L978 HydrophobicContact CD2-CB 3.83Å; L973-L978 HydrophobicContact CD2-CD1 3.82Å; L973-L978 HydrophobicContact CD2-CG 4.48Å; L973-L978 PolarHBondContact O-N 3.14Å; L976-L978 HydrophobicContact CB-CB 4.41Å; L976-L978 HydrophobicContact CB-CD1 3.88Å; L976-L978 HydrophobicContact CB-CG 3.82Å; L976-L978 HydrophobicContact CD1-CD1 3.84Å; L976-L978 PolarHBondContact O-N 2.92Å; L978-I990 HydrophobicContact CB-CG2 3.83Å; L978-I990 HydrophobicContact CD2-CG2 4.08Å; L978-I990 HydrophobicContact CG-CG2 4.38Å; L978-H992 HydrophobicContact CD2-CB 4.05Å; L978-I1010 HydrophobicContact CD1-CG1 4.36Å; L978-I1010 HydrophobicContact CD1-CG2 3.99Å; L978-I1010 HydrophobicContact CD2-CD1 4.23Å; L978-I1010 HydrophobicContact CD2-CG2 3.76Å |
| 979 | K | 83.1 | Confident | 83 | Confident | 50 Ų | 50 | 47.7 Ų | 47.7 | 22% | 0.217 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 123.3 | -176.3 | -158.7 | 167.8 | -168.3 | 164.5 | 0 | 108.9 | V991 D1056 | K979-V991 PolarHBondContact N-O 2.99Å; K979-V991 PolarHBondContact O-N 3.07Å; K979-D1056 IonicContact NZ-OD1 2.71Å; K979-D1056 PolarHBondContact NZ-OD1 3.3Å |
| 980 | P | 87.6 | Confident | 82.6 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.032 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 138.5 | 171 | 27.3 | -29.7 | 0 | 0 | 0 | 109.3 | V988 S989 I990 F1059 W1063 W1101 | P980-V988 HydrophobicContact CB-CG1 3.69Å; P980-S989 CarbonylContact C-O 3.57Å; P980-S989 WeakPolarHBondContact CA-O 3.41Å; P980-I990 HydrophobicContact CB-CG1 4.37Å; P980-F1059 HydrophobicContact CG-CB 3.93Å; P980-W1063 HydrophobicContact CB-CB 4.37Å; P980-W1063 HydrophobicContact CB-CD2 4.38Å; P980-W1063 HydrophobicContact CB-CE3 4.47Å; P980-W1063 HydrophobicContact CB-CG 4.34Å; P980-W1063 HydrophobicContact CG-CB 4.35Å; P980-W1101 HydrophobicContact CB-CH2 4.07Å; P980-W1101 HydrophobicContact CB-CZ2 4.11Å; P980-W1101 HydrophobicContact CG-CZ2 4.41Å; P980-W1101 WeakPolarHBondContact O-CZ2 3.34Å |
| 981 | M | 85.7 | Confident | 82.1 | Confident | 94 Ų | 94 | 51.1 Ų | 51.1 | 46% | 0.463 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 145.6 | 178.5 | -66.6 | -171.1 | 67.4 | 0 | 0 | 110.1 | V988 S989 V991 | M981-V988 WeakPolarHBondContact O-CA 3.39Å; M981-S989 PolarHBondContact N-O 2.77Å; M981-S989 PolarHBondContact O-N 2.94Å; M981-V991 HydrophobicContact CB-CG2 4.11Å; M981-V991 HydrophobicContact CG-CB 4.4Å; M981-V991 HydrophobicContact CG-CG2 4.12Å; M981-V991 HydrophobicContact SD-CB 3.99Å; M981-V991 HydrophobicContact SD-CG1 4.35Å; M981-V991 HydrophobicContact SD-CG2 3.89Å |
| 982 | I | 85.5 | Confident | 81.6 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 27% | 0.272 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 134.2 | 174.4 | -56.8 | 153.2 | 0 | 0 | 0 | 107.9 | W1101 F1104 | I982-W1101 HydrophobicContact CD1-CD2 3.93Å; I982-W1101 HydrophobicContact CD1-CG 3.93Å; I982-W1101 HydrophobicContact CG1-CD2 4.15Å; I982-W1101 HydrophobicContact CG1-CE3 4.49Å; I982-W1101 HydrophobicContact CG1-CH2 4.39Å; I982-W1101 HydrophobicContact CG1-CZ2 4.03Å; I982-F1104 HydrophobicContact CD1-CB 3.62Å; I982-F1104 HydrophobicContact CD1-CD1 4.28Å; I982-F1104 HydrophobicContact CD1-CG 3.91Å; I982-F1104 HydrophobicContact CG1-CB 4.12Å; I982-F1104 HydrophobicContact CG1-CD1 4.01Å; I982-F1104 HydrophobicContact CG1-CD2 4.25Å; I982-F1104 HydrophobicContact CG1-CG 3.83Å; I982-F1104 HydrophobicContact CG2-CD2 3.76Å; I982-F1104 HydrophobicContact CG2-CE2 4.29Å; I982-F1104 HydrophobicContact CG2-CG 4.14Å |
| 983 | T | 84 | Confident | 80.6 | Confident | 41 Ų | 41 | 50.3 Ų | 50.3 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | trans | -97.1 | 162.6 | 173.8 | 68.9 | 0 | 0 | 0 | 0 | 111.3 | S985 D986 T987 S989 | T983-S985 PolarHBondContact O-N 3.43Å; T983-S985 PolarHBondContact OG1-N 3.12Å; T983-S985 PolarHBondContact OG1-OG 2.86Å; T983-D986 PolarHBondContact O-N 2.91Å; T983-D986 VanDerWaalsContact O-N 3.14Å; T983-T987 WeakPolarHBondContact CB-O 3.43Å; T983-T987 PolarHBondContact N-O 3Å; T983-T987 PolarHBondContact OG1-O 2.72Å; T983-T987 PolarHBondContact OG1-OG1 2.92Å; T983-T987 VanDerWaalsContact OG1-OG1 3.08Å; T983-S989 WeakPolarHBondContact CG2-OG 3.38Å | ||
| 984 | D | 74.1 | Confident | 79.5 | Confident | 182 Ų | 182 | 55.5 Ų | 55.5 | 97% | 0.973 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -11.1 | 176.2 | -52.8 | -39.3 | 0 | 0 | 0 | 114.3 | ||
| 985 | S | 74 | Confident | 78 | Confident | 79 Ų | 79 | 55.5 Ų | 55.5 | 55% | 0.552 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 6.7 | -179.9 | 69.4 | 0 | 0 | 0 | 0 | 115 | T983 T987 | T983-S985 PolarHBondContact O-N 3.43Å; T983-S985 PolarHBondContact OG1-N 3.12Å; T983-S985 PolarHBondContact OG1-OG 2.86Å; S985-T987 VanDerWaalsContact C-N 3.27Å; S985-T987 PolarHBondContact O-N 2.77Å; S985-T987 PolarHBondContact OG-OG1 2.74Å |
| 986 | D | 72.4 | Confident | 76.1 | Confident | 42 Ų | 42 | 60.9 Ų | 60.9 | 23% | 0.225 | 34% | 0.342 | C | S | . | . | S | Bend | trans | 53.7 | 43.1 | -166.1 | -72.4 | -47.3 | 0 | 0 | 0 | 112.1 | T983 F1104 R1111 K1147 | T983-D986 PolarHBondContact O-N 2.91Å; T983-D986 VanDerWaalsContact O-N 3.14Å; D986-F1104 WeakPolarHBondContact O-CE2 3.45Å; D986-R1111 IonicContact OD2-CZ 2.63Å; D986-R1111 IonicContact OD2-NH1 3.79Å; D986-R1111 PolarHBondContact OD2-NH1 2.9Å; D986-K1147 WeakPolarHBondContact OD1-CE 3.31Å; D986-K1147 IonicContact OD1-NZ 2.92Å; D986-K1147 PolarHBondContact OD1-NZ 2.89Å; D986-K1147 IonicContact OD2-NZ 2.8Å; D986-K1147 PolarHBondContact OD2-NZ 2.6Å |
| 987 | T | 80.5 | Confident | 74.5 | Confident | 65 Ų | 65 | 64.2 Ų | 64.2 | 40% | 0.399 | 38% | 0.377 | S | S | . | . | trans | -132.5 | 154.6 | 169.2 | 68.3 | 0 | 0 | 0 | 0 | 111.1 | T983 S985 | T983-T987 WeakPolarHBondContact CB-O 3.43Å; T983-T987 PolarHBondContact N-O 3Å; T983-T987 PolarHBondContact OG1-O 2.72Å; T983-T987 PolarHBondContact OG1-OG1 2.92Å; T983-T987 VanDerWaalsContact OG1-OG1 3.08Å; S985-T987 VanDerWaalsContact C-N 3.27Å; S985-T987 PolarHBondContact O-N 2.77Å; S985-T987 PolarHBondContact OG-OG1 2.74Å | ||
| 988 | V | 83.5 | Confident | 72.9 | Confident | 31 Ų | 31 | 66.4 Ų | 66.4 | 19% | 0.188 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 131.8 | 178.3 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | P980 M981 W1063 W1101 F1104 | P980-V988 HydrophobicContact CB-CG1 3.69Å; M981-V988 WeakPolarHBondContact O-CA 3.39Å; V988-W1063 HydrophobicContact CG1-CD2 4.48Å; V988-W1063 HydrophobicContact CG1-CG 4.11Å; V988-W1101 HydrophobicContact CB-CH2 4.39Å; V988-W1101 HydrophobicContact CG1-CH2 3.84Å; V988-W1101 HydrophobicContact CG1-CZ2 4.5Å; V988-W1101 HydrophobicContact CG2-CH2 3.56Å; V988-W1101 HydrophobicContact CG2-CZ3 3.9Å; V988-F1104 HydrophobicContact CG2-CD1 4.48Å; V988-F1104 HydrophobicContact CG2-CE1 3.51Å; V988-F1104 HydrophobicContact CG2-CZ 3.59Å |
| 989 | S | 82.9 | Confident | 70.9 | Confident | 45 Ų | 45 | 71.9 Ų | 71.9 | 32% | 0.315 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 157.4 | 164 | 66.6 | 0 | 0 | 0 | 0 | 110.3 | P980 M981 T983 | P980-S989 CarbonylContact C-O 3.57Å; P980-S989 WeakPolarHBondContact CA-O 3.41Å; M981-S989 PolarHBondContact N-O 2.77Å; M981-S989 PolarHBondContact O-N 2.94Å; T983-S989 WeakPolarHBondContact CG2-OG 3.38Å |
| 990 | I | 82.9 | Confident | 68.9 | Low | 35 Ų | 35 | 73.7 Ų | 73.7 | 18% | 0.179 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 121.2 | 170.8 | -62.2 | -171.9 | 0 | 0 | 0 | 108.3 | L978 P980 V1014 W1063 | L978-I990 HydrophobicContact CB-CG2 3.83Å; L978-I990 HydrophobicContact CD2-CG2 4.08Å; L978-I990 HydrophobicContact CG-CG2 4.38Å; P980-I990 HydrophobicContact CB-CG1 4.37Å; I990-V1014 HydrophobicContact CB-CG1 4.44Å; I990-V1014 HydrophobicContact CB-CG2 4.04Å; I990-V1014 HydrophobicContact CD1-CG1 4.14Å; I990-V1014 HydrophobicContact CD1-CG2 4.12Å; I990-V1014 HydrophobicContact CG1-CG1 4.41Å; I990-V1014 HydrophobicContact CG2-CG2 4.14Å; I990-W1063 HydrophobicContact CD1-CH2 3.71Å; I990-W1063 HydrophobicContact CD1-CZ2 4.41Å; I990-W1063 HydrophobicContact CD1-CZ3 3.79Å |
| 991 | V | 79.4 | Confident | 67.3 | Low | 62 Ų | 62 | 76.4 Ų | 76.4 | 38% | 0.376 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 142.6 | -176.3 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | K979 M981 | K979-V991 PolarHBondContact N-O 2.99Å; K979-V991 PolarHBondContact O-N 3.07Å; M981-V991 HydrophobicContact CB-CG2 4.11Å; M981-V991 HydrophobicContact CG-CB 4.4Å; M981-V991 HydrophobicContact CG-CG2 4.12Å; M981-V991 HydrophobicContact SD-CB 3.99Å; M981-V991 HydrophobicContact SD-CG1 4.35Å; M981-V991 HydrophobicContact SD-CG2 3.89Å |
| 992 | H | 76.1 | Confident | 65.9 | Low | 41 Ų | 41 | 74.3 Ų | 74.3 | 19% | 0.19 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 118.8 | 174.6 | -169.1 | -15 | 0 | 0 | 0 | 109.9 | R977 L978 L994 | R977-H992 WeakPolarHBondContact O-CA 3.26Å; L978-H992 HydrophobicContact CD2-CB 4.05Å; H992-L994 PolarHBondContact O-N 3.21Å |
| 993 | D | 67.6 | Low | 64.8 | Low | 72 Ų | 72 | 74.4 Ų | 74.4 | 39% | 0.385 | 46% | 0.462 | S | S | . | . | trans | -79.6 | 90.6 | -177.8 | -161.7 | -32.9 | 0 | 0 | 0 | 111.1 | R977 | R977-D993 HydrophobicContact CB-CB 4.44Å; R977-D993 PolarHBondContact O-N 3.47Å | ||
| 994 | L | 62.6 | Low | 63.9 | Low | 113 Ų | 113 | 76.7 Ų | 76.7 | 59% | 0.592 | 49% | 0.485 | S | S | * | . | trans | -110 | 78.4 | 175.5 | -68 | 177.9 | 0 | 0 | 0 | 110.2 | H992 | H992-L994 PolarHBondContact O-N 3.21Š| ||
| 995 | S | 51.8 | Low | 63.7 | Low | 51 Ų | 51 | 71.6 Ų | 71.6 | 36% | 0.357 | 46% | 0.463 | S | S | . | . | trans | -59.4 | 128.3 | 172.6 | 1.7 | 0 | 0 | 0 | 0 | 110.6 | G997 Q998 | S995-G997 PolarHBondContact O-N 3.44Å; S995-Q998 PolarHBondContact O-N 2.98Å | ||
| 996 | P | 39.3 | Very low | 63.6 | Low | 143 Ų | 143 | 68.9 Ų | 68.9 | 93% | 0.929 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 104.2 | -174.5 | -24.3 | 34.2 | 0 | 0 | 0 | 112.6 | ||
| 997 | G | 48.6 | Very low | 63.6 | Low | 71 Ų | 71 | 70.2 Ų | 70.2 | 73% | 0.732 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 133.4 | -19.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S995 S999 | S995-G997 PolarHBondContact O-N 3.44Å; G997-S999 PolarHBondContact O-N 3.23Å |
| 998 | Q | 47.1 | Very low | 63.5 | Low | 115 Ų | 115 | 71.8 Ų | 71.8 | 54% | 0.537 | 47% | 0.465 | S | S | . | . | trans | -96 | 45.7 | 178.8 | -66.9 | -163.4 | 6.9 | 0 | 0 | 114 | S995 A1000 | S995-Q998 PolarHBondContact O-N 2.98Å; Q998-A1000 PolarHBondContact O-N 2.84Å | ||
| 999 | S | 39.6 | Very low | 63.4 | Low | 119 Ų | 119 | 73.8 Ų | 73.8 | 83% | 0.832 | 47% | 0.472 | S | S | * | . | trans | -77.3 | 4.2 | -176.9 | -50.7 | 0 | 0 | 0 | 0 | 115.3 | G997 | G997-S999 PolarHBondContact O-N 3.23Š| ||
| 1000 | A | 42 | Very low | 63.3 | Low | 88 Ų | 88 | 72.5 Ų | 72.5 | 73% | 0.727 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -115.9 | 81.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q998 | Q998-A1000 PolarHBondContact O-N 2.84Š|
| 1001 | T | 53.8 | Low | 63.4 | Low | 63 Ų | 63 | 75.1 Ų | 75.1 | 39% | 0.387 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -178.8 | -11.3 | 151.8 | 17.6 | 0 | 0 | 0 | 0 | 115 | P933 T935 | P933-T1001 HydrophobicContact CG-CG2 4.26Å; T935-T1001 HydrophobicContact CG2-CG2 3.4Å |
| 1002 | F | 56.9 | Low | 63.6 | Low | 50 Ų | 50 | 74.8 Ų | 74.8 | 22% | 0.219 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -101 | 124.3 | -176.4 | -156 | -103.6 | 0 | 0 | 0 | 112.7 | L976 A1004 F1006 V1007 I1010 | L976-F1002 HydrophobicContact CD2-CE2 4.08Å; L976-F1002 HydrophobicContact CD2-CZ 3.97Å; F1002-A1004 PolarHBondContact O-N 3.2Å; F1002-F1006 HydrophobicContact CE1-CB 3.76Å; F1002-F1006 HydrophobicContact CE1-CD2 4.49Å; F1002-F1006 HydrophobicContact CZ-CB 3.94Å; F1002-F1006 HydrophobicContact CZ-CD2 4.32Å; F1002-V1007 HydrophobicContact CD1-CG2 3.88Å; F1002-V1007 HydrophobicContact CE1-CG2 3.94Å; F1002-I1010 HydrophobicContact CE1-CD1 4.44Å |
| 1003 | P | 62.4 | Low | 64.1 | Low | 54 Ų | 54 | 72.9 Ų | 72.9 | 35% | 0.351 | 47% | 0.472 | S | S | . | . | trans | -64.7 | 127.9 | 176.3 | -25.9 | 37 | 0 | 0 | 0 | 113 | S1005 F1006 | P1003-S1005 PolarHBondContact O-N 3.29Å; P1003-S1005 VanDerWaalsContact O-N 3.09Å; P1003-F1006 HydrophobicContact CB-CD2 3.92Å; P1003-F1006 HydrophobicContact CB-CE2 3.86Å; P1003-F1006 HydrophobicContact CG-CD2 4.02Å; P1003-F1006 HydrophobicContact CG-CE2 3.65Å; P1003-F1006 PolarHBondContact O-N 3.2Å; P1003-F1006 VanDerWaalsContact O-N 3.15Å | ||
| 1004 | A | 65.3 | Low | 64.9 | Low | 89 Ų | 89 | 71.2 Ų | 71.2 | 74% | 0.736 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.8 | -22 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1002 V1007 | F1002-A1004 PolarHBondContact O-N 3.2Å; A1004-V1007 PolarHBondContact O-N 3.03Å |
| 1005 | S | 68.4 | Low | 66.1 | Low | 75 Ų | 75 | 70.9 Ų | 70.9 | 52% | 0.524 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.4 | -34.1 | 175.5 | 45.6 | 0 | 0 | 0 | 0 | 113.8 | P1003 V1007 S1008 | P1003-S1005 PolarHBondContact O-N 3.29Å; P1003-S1005 VanDerWaalsContact O-N 3.09Å; S1005-V1007 VanDerWaalsContact C-N 3.34Å; S1005-S1008 PolarHBondContact O-OG 3.13Å; S1005-S1008 VanDerWaalsContact O-OG 3.07Å |
| 1006 | F | 71.7 | Confident | 67.8 | Low | 22 Ų | 22 | 70.2 Ų | 70.2 | 10% | 0.096 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -76.8 | -23.8 | -178.5 | -57 | -40.1 | 0 | 0 | 0 | 112.6 | A938 F941 F1002 P1003 S1008 E1009 I1010 | A938-F1006 HydrophobicContact CB-CE1 4.23Å; A938-F1006 HydrophobicContact CB-CZ 3.85Å; F941-F1006 HydrophobicContact CB-CD1 4.46Å; F941-F1006 HydrophobicContact CB-CE1 4.29Å; F941-F1006 HydrophobicContact CD1-CD1 4.19Å; F941-F1006 HydrophobicContact CD2-CB 4.24Å; F941-F1006 HydrophobicContact CD2-CD1 4.18Å; F941-F1006 HydrophobicContact CD2-CG 4.08Å; F941-F1006 HydrophobicContact CE2-CB 4.02Å; F941-F1006 HydrophobicContact CE2-CG 4.34Å; F941-F1006 HydrophobicContact CG-CD1 4.01Å; F941-F1006 HydrophobicContact CG-CE1 4.3Å; F941-F1006 HydrophobicContact CG-CG 4.36Å; F941-F1006 HydrophobicContact CZ-CB 4.45Å; F1002-F1006 HydrophobicContact CE1-CB 3.76Å; F1002-F1006 HydrophobicContact CE1-CD2 4.49Å; F1002-F1006 HydrophobicContact CZ-CB 3.94Å; F1002-F1006 HydrophobicContact CZ-CD2 4.32Å; P1003-F1006 HydrophobicContact CB-CD2 3.92Å; P1003-F1006 HydrophobicContact CB-CE2 3.86Å; P1003-F1006 HydrophobicContact CG-CD2 4.02Å; P1003-F1006 HydrophobicContact CG-CE2 3.65Å; P1003-F1006 PolarHBondContact O-N 3.2Å; P1003-F1006 VanDerWaalsContact O-N 3.15Å; F1006-S1008 PolarHBondContact O-N 3.13Å; F1006-E1009 PolarHBondContact O-N 3.12Å; F1006-I1010 PolarHBondContact O-N 3.05Å |
| 1007 | V | 73.6 | Confident | 70.2 | Confident | 70 Ų | 70 | 63.6 Ų | 63.6 | 42% | 0.424 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.9 | -32.2 | -177.7 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | F1002 A1004 S1005 | F1002-V1007 HydrophobicContact CD1-CG2 3.88Å; F1002-V1007 HydrophobicContact CE1-CG2 3.94Å; A1004-V1007 PolarHBondContact O-N 3.03Å; S1005-V1007 VanDerWaalsContact C-N 3.34Å |
| 1008 | S | 78.4 | Confident | 72 | Confident | 99 Ų | 99 | 62.5 Ų | 62.5 | 69% | 0.692 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -19.8 | 175.5 | 53 | 0 | 0 | 0 | 0 | 114.4 | S1005 F1006 | S1005-S1008 PolarHBondContact O-OG 3.13Å; S1005-S1008 VanDerWaalsContact O-OG 3.07Å; F1006-S1008 PolarHBondContact O-N 3.13Å |
| 1009 | E | 80.4 | Confident | 73.9 | Confident | 73 Ų | 73 | 59.9 Ų | 59.9 | 34% | 0.341 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -15.7 | 177.9 | -65.9 | -152 | 167 | 0 | 0 | 113.9 | F941 R945 F1006 P1011 S1012 V1013 | F941-E1009 HydrophobicContact CE1-CB 3.96Å; F941-E1009 VanDerWaalsContact CE1-OE2 3.29Å; F941-E1009 WeakPolarHBondContact CE1-OE2 3.48Å; F941-E1009 HydrophobicContact CZ-CB 3.86Å; R945-E1009 IonicContact CZ-OE2 3.71Å; R945-E1009 IonicContact NE-OE2 3.59Å; R945-E1009 VanDerWaalsContact NH1-CD 3.28Å; R945-E1009 IonicContact NH1-OE1 2.72Å; R945-E1009 PolarHBondContact NH1-OE1 2.98Å; R945-E1009 IonicContact NH1-OE2 3.94Å; R945-E1009 PolarHBondContact NH1-OE2 3.41Å; F1006-E1009 PolarHBondContact O-N 3.12Å; E1009-P1011 VanDerWaalsContact C-CD 3.49Å; E1009-S1012 WeakPolarHBondContact O-CB 3.49Å; E1009-S1012 PolarHBondContact O-N 3.27Å; E1009-V1013 PolarHBondContact O-N 3Å |
| 1010 | I | 82.2 | Confident | 76.2 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 9% | 0.092 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -48.3 | -46.2 | 179.7 | -74.8 | 170.8 | 0 | 0 | 0 | 113.4 | L978 F1002 F1006 S1012 V1013 V1014 | L978-I1010 HydrophobicContact CD1-CG1 4.36Å; L978-I1010 HydrophobicContact CD1-CG2 3.99Å; L978-I1010 HydrophobicContact CD2-CD1 4.23Å; L978-I1010 HydrophobicContact CD2-CG2 3.76Å; F1002-I1010 HydrophobicContact CE1-CD1 4.44Å; F1006-I1010 PolarHBondContact O-N 3.05Å; I1010-S1012 PolarHBondContact O-N 3.05Å; I1010-V1013 WeakPolarHBondContact O-CB 3.5Å; I1010-V1013 PolarHBondContact O-N 3.35Å; I1010-V1014 HydrophobicContact CG2-CG2 4.36Å; I1010-V1014 WeakPolarHBondContact O-CG2 3.48Å; I1010-V1014 PolarHBondContact O-N 2.99Å |
| 1011 | P | 83.3 | Confident | 78.4 | Confident | 89 Ų | 89 | 50.6 Ų | 50.6 | 58% | 0.578 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.5 | -31.8 | 178.2 | -25.6 | 35.9 | 0 | 0 | 0 | 113.9 | E1009 V1014 Q1015 | E1009-P1011 VanDerWaalsContact C-CD 3.49Å; P1011-V1014 PolarHBondContact O-N 3.36Å; P1011-Q1015 PolarHBondContact O-N 2.88Å |
| 1012 | S | 85 | Confident | 80 | Confident | 55 Ų | 55 | 49.8 Ų | 49.8 | 39% | 0.385 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.8 | -35.9 | 176.3 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | E1009 I1010 Q1015 M1016 | E1009-S1012 WeakPolarHBondContact O-CB 3.49Å; E1009-S1012 PolarHBondContact O-N 3.27Å; I1010-S1012 PolarHBondContact O-N 3.05Å; S1012-Q1015 PolarHBondContact O-N 3.5Å; S1012-M1016 VanDerWaalsContact O-CE 3.29Å; S1012-M1016 WeakPolarHBondContact O-CE 3.39Å; S1012-M1016 WeakPolarHBondContact O-CG 3.44Å; S1012-M1016 PolarHBondContact O-N 3.34Å |
| 1013 | V | 85.5 | Confident | 81.5 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66 | -41.5 | 173.2 | 180 | 0 | 0 | 0 | 0 | 111.1 | F941 R945 L948 F972 E1009 I1010 M1016 L1017 | F941-V1013 HydrophobicContact CE1-CG2 4.37Å; F941-V1013 HydrophobicContact CE2-CG2 4.45Å; F941-V1013 HydrophobicContact CZ-CG2 3.78Å; R945-V1013 HydrophobicContact CG-CG2 4.31Å; L948-V1013 HydrophobicContact CD1-CG1 3.87Å; F972-V1013 HydrophobicContact CE1-CG1 4.12Å; E1009-V1013 PolarHBondContact O-N 3Å; I1010-V1013 WeakPolarHBondContact O-CB 3.5Å; I1010-V1013 PolarHBondContact O-N 3.35Å; V1013-M1016 PolarHBondContact O-N 3.27Å; V1013-L1017 PolarHBondContact O-N 2.79Å; V1013-L1017 VanDerWaalsContact O-N 3.13Å |
| 1014 | V | 84.9 | Confident | 82.8 | Confident | 38 Ų | 38 | 49.9 Ų | 49.9 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63 | -45.3 | 175 | 175 | 0 | 0 | 0 | 0 | 111.1 | I990 I1010 P1011 L1017 S1018 | I990-V1014 HydrophobicContact CB-CG1 4.44Å; I990-V1014 HydrophobicContact CB-CG2 4.04Å; I990-V1014 HydrophobicContact CD1-CG1 4.14Å; I990-V1014 HydrophobicContact CD1-CG2 4.12Å; I990-V1014 HydrophobicContact CG1-CG1 4.41Å; I990-V1014 HydrophobicContact CG2-CG2 4.14Å; I1010-V1014 HydrophobicContact CG2-CG2 4.36Å; I1010-V1014 WeakPolarHBondContact O-CG2 3.48Å; I1010-V1014 PolarHBondContact O-N 2.99Å; P1011-V1014 PolarHBondContact O-N 3.36Å; V1014-L1017 WeakPolarHBondContact O-CB 3.48Å; V1014-L1017 PolarHBondContact O-N 3.39Å; V1014-S1018 PolarHBondContact O-N 3.39Å; V1014-S1018 VanDerWaalsContact O-N 3.13Å; V1014-S1018 PolarHBondContact O-OG 3.35Å |
| 1015 | Q | 87.1 | Confident | 83.8 | Confident | 105 Ų | 105 | 48.5 Ų | 48.5 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 176.6 | -173.4 | 61.8 | 50.6 | 0 | 0 | 112 | P1011 S1012 L1017 S1018 D1019 | P1011-Q1015 PolarHBondContact O-N 2.88Å; S1012-Q1015 PolarHBondContact O-N 3.5Å; Q1015-L1017 PolarHBondContact O-N 2.9Å; Q1015-S1018 WeakPolarHBondContact O-CB 3.24Å; Q1015-S1018 PolarHBondContact O-N 2.98Å; Q1015-D1019 PolarHBondContact NE2-OD1 3.01Å; Q1015-D1019 PolarHBondContact O-N 3.38Å |
| 1016 | M | 89.4 | Confident | 84.7 | Confident | 38 Ų | 38 | 48.8 Ų | 48.8 | 19% | 0.187 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.9 | -32.5 | 177.9 | -78.3 | -176.7 | -78.4 | 0 | 0 | 112.9 | R945 L948 S1012 V1013 V1020 | R945-M1016 HydrophobicContact CG-CE 4.17Å; L948-M1016 HydrophobicContact CB-CB 4.27Å; L948-M1016 HydrophobicContact CD1-CB 4.15Å; S1012-M1016 VanDerWaalsContact O-CE 3.29Å; S1012-M1016 WeakPolarHBondContact O-CE 3.39Å; S1012-M1016 WeakPolarHBondContact O-CG 3.44Å; S1012-M1016 PolarHBondContact O-N 3.34Å; V1013-M1016 PolarHBondContact O-N 3.27Å; M1016-V1020 WeakPolarHBondContact O-CB 3.34Å; M1016-V1020 VanDerWaalsContact O-CG2 3.3Å; M1016-V1020 WeakPolarHBondContact O-CG2 3.43Å; M1016-V1020 PolarHBondContact O-N 3.18Å |
| 1017 | L | 88.4 | Confident | 85.6 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 171.9 | -82.5 | 162.5 | 0 | 0 | 0 | 112.1 | L948 L973 V1013 V1014 Q1015 V1020 T1021 F1060 W1063 | L948-L1017 HydrophobicContact CD1-CG 4.24Å; L948-L1017 HydrophobicContact CD2-CD2 3.51Å; L948-L1017 HydrophobicContact CD2-CG 3.78Å; L973-L1017 HydrophobicContact CD1-CD1 3.96Å; L973-L1017 HydrophobicContact CD2-CD1 3.86Å; L973-L1017 HydrophobicContact CG-CD1 4.32Å; V1013-L1017 PolarHBondContact O-N 2.79Å; V1013-L1017 VanDerWaalsContact O-N 3.13Å; V1014-L1017 WeakPolarHBondContact O-CB 3.48Å; V1014-L1017 PolarHBondContact O-N 3.39Å; Q1015-L1017 PolarHBondContact O-N 2.9Å; L1017-V1020 WeakPolarHBondContact O-CB 3.29Å; L1017-V1020 PolarHBondContact O-N 2.93Å; L1017-T1021 PolarHBondContact O-N 3.41Å; L1017-T1021 PolarHBondContact O-OG1 3.03Å; L1017-F1060 HydrophobicContact CD2-CE2 3.98Å; L1017-W1063 HydrophobicContact CB-CH2 4.07Å |
| 1018 | S | 86.1 | Confident | 86.3 | Confident | 48 Ų | 48 | 48.2 Ų | 48.2 | 34% | 0.336 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 174.8 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | V1014 Q1015 T1021 A1022 | V1014-S1018 PolarHBondContact O-N 3.39Å; V1014-S1018 VanDerWaalsContact O-N 3.13Å; V1014-S1018 PolarHBondContact O-OG 3.35Å; Q1015-S1018 WeakPolarHBondContact O-CB 3.24Å; Q1015-S1018 PolarHBondContact O-N 2.98Å; S1018-T1021 PolarHBondContact O-N 2.92Å; S1018-A1022 WeakPolarHBondContact O-CB 3.32Å; S1018-A1022 PolarHBondContact O-N 2.92Å |
| 1019 | D | 87.8 | Confident | 86.7 | Confident | 60 Ų | 60 | 49 Ų | 49 | 32% | 0.321 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 177.7 | -62.2 | -23.5 | 0 | 0 | 0 | 111.4 | F952 Q1015 A1022 R1023 | F952-D1019 HydrophobicContact CD2-CB 4.03Å; F952-D1019 HydrophobicContact CE2-CB 3.93Å; Q1015-D1019 PolarHBondContact NE2-OD1 3.01Å; Q1015-D1019 PolarHBondContact O-N 3.38Å; D1019-A1022 PolarHBondContact O-N 3.35Å; D1019-R1023 WeakPolarHBondContact O-CB 3.4Å; D1019-R1023 PolarHBondContact O-N 3.46Å |
| 1020 | V | 88.2 | Confident | 87 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 171.7 | 156.3 | 0 | 0 | 0 | 0 | 111.4 | V951 F952 M1016 L1017 R1023 | V951-V1020 HydrophobicContact CB-CG2 4.13Å; V951-V1020 HydrophobicContact CG1-CB 4.36Å; V951-V1020 HydrophobicContact CG1-CG1 3.5Å; V951-V1020 HydrophobicContact CG1-CG2 3.87Å; F952-V1020 HydrophobicContact CB-CG2 3.88Å; M1016-V1020 WeakPolarHBondContact O-CB 3.34Å; M1016-V1020 VanDerWaalsContact O-CG2 3.3Å; M1016-V1020 WeakPolarHBondContact O-CG2 3.43Å; M1016-V1020 PolarHBondContact O-N 3.18Å; L1017-V1020 WeakPolarHBondContact O-CB 3.29Å; L1017-V1020 PolarHBondContact O-N 2.93Å; V1020-R1023 WeakPolarHBondContact O-CB 3.43Å; V1020-R1023 PolarHBondContact O-N 3.48Å |
| 1021 | T | 87.3 | Confident | 87.4 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.043 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 179.3 | -39.7 | 0 | 0 | 0 | 0 | 111.2 | L1017 S1018 R1023 S1024 Q1064 E1067 L1068 L1071 | L1017-T1021 PolarHBondContact O-N 3.41Å; L1017-T1021 PolarHBondContact O-OG1 3.03Å; S1018-T1021 PolarHBondContact O-N 2.92Å; T1021-R1023 VanDerWaalsContact C-N 3.26Å; T1021-R1023 PolarHBondContact O-N 3.28Å; T1021-S1024 VanDerWaalsContact O-CB 3.3Å; T1021-S1024 WeakPolarHBondContact O-CB 3.35Å; T1021-S1024 PolarHBondContact O-N 2.83Å; T1021-S1024 PolarHBondContact O-OG 2.9Å; T1021-Q1064 VanDerWaalsContact OG1-CD 3.29Å; T1021-Q1064 PolarHBondContact OG1-NE2 3.08Å; T1021-Q1064 PolarHBondContact OG1-OE1 3.31Å; T1021-E1067 HydrophobicContact CG2-CB 3.91Å; T1021-L1068 HydrophobicContact CG2-CB 4.24Å; T1021-L1071 HydrophobicContact CG2-CD1 4.06Å; T1021-L1071 WeakPolarHBondContact O-CD1 3.28Å |
| 1022 | A | 87.6 | Confident | 87.7 | Confident | 46 Ų | 46 | 47.3 Ų | 47.3 | 38% | 0.38 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58 | -36.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1018 D1019 S1024 S1025 | S1018-A1022 WeakPolarHBondContact O-CB 3.32Å; S1018-A1022 PolarHBondContact O-N 2.92Å; D1019-A1022 PolarHBondContact O-N 3.35Å; A1022-S1024 PolarHBondContact O-N 3.15Å; A1022-S1025 WeakPolarHBondContact O-CB 3.35Å; A1022-S1025 PolarHBondContact O-N 3.05Å; A1022-S1025 PolarHBondContact O-OG 2.97Å |
| 1023 | R | 88.8 | Confident | 87.9 | Confident | 105 Ų | 105 | 46.9 Ų | 46.9 | 40% | 0.396 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.1 | -24 | 179.3 | -163.7 | 63.7 | 168.7 | 167.1 | 1.9 | 113.8 | F952 D1019 V1020 T1021 S1025 T1026 Y1027 | F952-R1023 HydrophobicContact CD2-CB 4.16Å; F952-R1023 HydrophobicContact CD2-CG 4.3Å; F952-R1023 HydrophobicContact CE2-CB 4.22Å; F952-R1023 HydrophobicContact CE2-CG 4.32Å; D1019-R1023 WeakPolarHBondContact O-CB 3.4Å; D1019-R1023 PolarHBondContact O-N 3.46Å; V1020-R1023 WeakPolarHBondContact O-CB 3.43Å; V1020-R1023 PolarHBondContact O-N 3.48Å; T1021-R1023 VanDerWaalsContact C-N 3.26Å; T1021-R1023 PolarHBondContact O-N 3.28Å; R1023-S1025 PolarHBondContact O-N 2.99Å; R1023-S1025 VanDerWaalsContact O-N 3.12Å; R1023-T1026 PolarHBondContact O-N 3.07Å; R1023-T1026 PolarHBondContact O-OG1 3.15Å; R1023-Y1027 HydrophobicContact CB-CE1 4.47Å; R1023-Y1027 HydrophobicContact CG-CE1 3.98Å |
| 1024 | S | 88.6 | Confident | 88.2 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -55.2 | -29.6 | 178.2 | 66 | 0 | 0 | 0 | 0 | 113.9 | T1021 A1022 T1026 Y1027 N1072 R1075 | T1021-S1024 VanDerWaalsContact O-CB 3.3Å; T1021-S1024 WeakPolarHBondContact O-CB 3.35Å; T1021-S1024 PolarHBondContact O-N 2.83Å; T1021-S1024 PolarHBondContact O-OG 2.9Å; A1022-S1024 PolarHBondContact O-N 3.15Å; S1024-T1026 PolarHBondContact O-N 3.46Å; S1024-Y1027 WeakPolarHBondContact O-CB 3.3Å; S1024-Y1027 PolarHBondContact O-N 3.22Å; S1024-N1072 PolarHBondContact O-OD1 2.99Å; S1024-N1072 PolarHBondContact OG-ND2 3.36Å; S1024-R1075 PolarHBondContact O-NH1 3.16Å |
| 1025 | S | 86.2 | Confident | 88.5 | Confident | 59 Ų | 59 | 46.8 Ų | 46.8 | 41% | 0.413 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -53.2 | -23.4 | 172.2 | 59 | 0 | 0 | 0 | 0 | 114.2 | A1022 R1023 N1072 R1075 | A1022-S1025 WeakPolarHBondContact O-CB 3.35Å; A1022-S1025 PolarHBondContact O-N 3.05Å; A1022-S1025 PolarHBondContact O-OG 2.97Å; R1023-S1025 PolarHBondContact O-N 2.99Å; R1023-S1025 VanDerWaalsContact O-N 3.12Å; S1025-N1072 WeakPolarHBondContact CA-OD1 3.39Å; S1025-R1075 PolarHBondContact O-NH1 3.02Å |
| 1026 | T | 87.9 | Confident | 88.7 | Confident | 82 Ų | 82 | 41.8 Ų | 41.8 | 50% | 0.503 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -95.7 | -6.6 | 179 | 67.3 | 0 | 0 | 0 | 0 | 114.5 | R1023 S1024 | R1023-T1026 PolarHBondContact O-N 3.07Å; R1023-T1026 PolarHBondContact O-OG1 3.15Å; S1024-T1026 PolarHBondContact O-N 3.46Å |
| 1027 | Y | 90.1 | Very high | 88.8 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 2% | 0.02 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -79 | 150.5 | -176.5 | -62.7 | -1.3 | 0 | 0 | 0 | 111.1 | P956 W962 R1023 S1024 V1035 R1075 | P956-Y1027 HydrophobicContact CG-CD1 3.65Å; P956-Y1027 HydrophobicContact CG-CE1 3.66Å; P956-Y1027 HydrophobicContact CG-CG 4.44Å; W962-Y1027 HydrophobicContact CH2-CE2 4.13Å; W962-Y1027 AromaticContact CZ2-CE2 3.68Å; W962-Y1027 HydrophobicContact CZ2-CE2 3.68Å; R1023-Y1027 HydrophobicContact CB-CE1 4.47Å; R1023-Y1027 HydrophobicContact CG-CE1 3.98Å; S1024-Y1027 WeakPolarHBondContact O-CB 3.3Å; S1024-Y1027 PolarHBondContact O-N 3.22Å; Y1027-V1035 HydrophobicContact CD2-CG2 4.11Å; Y1027-V1035 HydrophobicContact CE2-CG2 4.23Å; Y1027-R1075 PolarHBondContact O-NH1 3.29Å; Y1027-R1075 PolarHBondContact O-NH2 3.37Å |
| 1028 | S | 89 | Confident | 89.1 | Confident | 74 Ų | 74 | 43.7 Ų | 43.7 | 52% | 0.517 | 24% | 0.242 | S | C | . | . | trans | -67.3 | 154 | 171 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | Q1030 C1031 L1032 | S1028-Q1030 VanDerWaalsContact C-N 3.29Å; S1028-Q1030 PolarHBondContact O-N 3.16Å; S1028-C1031 WeakPolarHBondContact O-CB 3.42Å; S1028-C1031 PolarHBondContact O-N 3.43Å; S1028-C1031 WeakPolarHBondContact OG-CB 3.22Å; S1028-C1031 PolarHBondContact OG-N 3.28Å; S1028-L1032 WeakPolarHBondContact O-CB 3.39Å; S1028-L1032 PolarHBondContact O-N 3.38Å | ||
| 1029 | E | 86.9 | Confident | 89.4 | Confident | 115 Ų | 115 | 41.4 Ų | 41.4 | 54% | 0.537 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -54 | -43.2 | 179.1 | -72.3 | 160.4 | -139.7 | 0 | 0 | 112.7 | C1031 L1032 L1033 R1075 L1076 | E1029-C1031 VanDerWaalsContact C-N 3.34Å; E1029-C1031 PolarHBondContact O-N 2.83Å; E1029-L1032 WeakPolarHBondContact O-CB 3.39Å; E1029-L1032 PolarHBondContact O-N 2.86Å; E1029-L1033 PolarHBondContact O-N 2.84Å; E1029-R1075 WeakPolarHBondContact CG-O 3.37Å; E1029-L1076 HydrophobicContact CB-CD1 4.02Å; E1029-L1076 HydrophobicContact CG-CD1 4.32Å |
| 1030 | Q | 87.4 | Confident | 89.6 | Confident | 133 Ų | 133 | 38.6 Ų | 38.6 | 62% | 0.621 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -63.4 | -37.1 | 176.5 | -175.5 | 60.2 | 35.3 | 0 | 0 | 112.8 | S1028 | S1028-Q1030 VanDerWaalsContact C-N 3.29Å; S1028-Q1030 PolarHBondContact O-N 3.16Å |
| 1031 | C | 89.2 | Confident | 89.8 | Confident | 13 Ų | 13 | 40.9 Ų | 40.9 | 9% | 0.088 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.1 | -47.2 | 173.5 | 178 | 0 | 0 | 0 | 0 | 110.2 | S1028 E1029 L1033 V1034 V1035 | S1028-C1031 WeakPolarHBondContact O-CB 3.42Å; S1028-C1031 PolarHBondContact O-N 3.43Å; S1028-C1031 WeakPolarHBondContact OG-CB 3.22Å; S1028-C1031 PolarHBondContact OG-N 3.28Å; E1029-C1031 VanDerWaalsContact C-N 3.34Å; E1029-C1031 PolarHBondContact O-N 2.83Å; C1031-L1033 VanDerWaalsContact C-N 3.3Å; C1031-L1033 PolarHBondContact O-N 3.44Å; C1031-V1034 WeakPolarHBondContact O-CA 3.46Å; C1031-V1034 WeakPolarHBondContact O-CB 3.43Å; C1031-V1034 PolarHBondContact O-N 2.94Å; C1031-V1035 VanDerWaalsContact O-CG2 3.26Å; C1031-V1035 WeakPolarHBondContact O-CG2 3.22Å; C1031-V1035 PolarHBondContact O-N 2.92Å |
| 1032 | L | 90 | Very high | 90 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.5 | -39.9 | -178 | -165.1 | 63.8 | 0 | 0 | 0 | 112.2 | S1028 E1029 V1034 V1035 L1036 L1068 N1072 F1079 | S1028-L1032 WeakPolarHBondContact O-CB 3.39Å; S1028-L1032 PolarHBondContact O-N 3.38Å; E1029-L1032 WeakPolarHBondContact O-CB 3.39Å; E1029-L1032 PolarHBondContact O-N 2.86Å; L1032-V1034 PolarHBondContact O-N 2.88Å; L1032-V1035 PolarHBondContact O-N 2.85Å; L1032-L1036 HydrophobicContact CG-CD1 4.47Å; L1032-L1036 WeakPolarHBondContact O-CB 3.17Å; L1032-L1036 WeakPolarHBondContact O-CD1 3.41Å; L1032-L1036 VanDerWaalsContact O-CG 3.26Å; L1032-L1036 WeakPolarHBondContact O-CG 3.4Å; L1032-L1036 PolarHBondContact O-N 2.84Å; L1032-L1068 HydrophobicContact CD1-CD2 3.89Å; L1032-L1068 HydrophobicContact CD1-CG 4.31Å; L1032-N1072 HydrophobicContact CD2-CB 3.89Å; L1032-F1079 HydrophobicContact CD2-CZ 3.84Å; L1032-F1079 HydrophobicContact CG-CZ 4.35Å |
| 1033 | L | 90.1 | Very high | 90.2 | Very high | 46 Ų | 46 | 38.5 Ų | 38.5 | 24% | 0.241 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55 | -44.6 | 169.5 | -86.3 | 166 | 0 | 0 | 0 | 113.2 | E1029 C1031 L1036 Q1037 L1076 L1082 | E1029-L1033 PolarHBondContact O-N 2.84Å; C1031-L1033 VanDerWaalsContact C-N 3.3Å; C1031-L1033 PolarHBondContact O-N 3.44Å; L1033-L1036 PolarHBondContact O-N 2.85Å; L1033-Q1037 WeakPolarHBondContact O-CB 3.21Å; L1033-Q1037 PolarHBondContact O-N 3.06Å; L1033-L1076 HydrophobicContact CD1-CD1 4Å; L1033-L1076 HydrophobicContact CD2-CD1 4.35Å; L1033-L1076 HydrophobicContact CD2-CD2 3.74Å; L1033-L1076 HydrophobicContact CG-CD1 3.89Å; L1033-L1076 HydrophobicContact CG-CD2 3.89Å; L1033-L1082 HydrophobicContact CD2-CD1 4.02Å |
| 1034 | V | 90.6 | Very high | 90.2 | Very high | 35 Ų | 35 | 37.3 Ų | 37.3 | 21% | 0.212 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.2 | -40.2 | 178.4 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | G959 C1031 L1032 L1036 Q1037 A1038 | G959-V1034 WeakPolarHBondContact O-CG1 3.3Å; C1031-V1034 WeakPolarHBondContact O-CA 3.46Å; C1031-V1034 WeakPolarHBondContact O-CB 3.43Å; C1031-V1034 PolarHBondContact O-N 2.94Å; L1032-V1034 PolarHBondContact O-N 2.88Å; V1034-L1036 PolarHBondContact O-N 2.95Å; V1034-Q1037 PolarHBondContact O-N 2.9Å; V1034-A1038 WeakPolarHBondContact O-CB 3.48Å; V1034-A1038 PolarHBondContact O-N 3.15Å; V1034-A1038 VanDerWaalsContact O-N 3.09Å |
| 1035 | V | 92.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 175.8 | -163.9 | 0 | 0 | 0 | 0 | 111.2 | W962 F966 Y1027 C1031 L1032 L1039 L1068 | W962-V1035 HydrophobicContact CD2-CG1 4.14Å; W962-V1035 HydrophobicContact CD2-CG2 4.16Å; W962-V1035 HydrophobicContact CE3-CG1 4.22Å; W962-V1035 HydrophobicContact CG-CG2 4.34Å; W962-V1035 HydrophobicContact CH2-CG1 4.47Å; W962-V1035 HydrophobicContact CZ2-CG1 4.42Å; W962-V1035 HydrophobicContact CZ2-CG2 3.97Å; W962-V1035 HydrophobicContact CZ3-CG1 4.38Å; F966-V1035 HydrophobicContact CE2-CG1 3.57Å; F966-V1035 HydrophobicContact CZ-CG1 3.49Å; F966-V1035 VanDerWaalsContact CZ-CG1 3.49Å; Y1027-V1035 HydrophobicContact CD2-CG2 4.11Å; Y1027-V1035 HydrophobicContact CE2-CG2 4.23Å; C1031-V1035 VanDerWaalsContact O-CG2 3.26Å; C1031-V1035 WeakPolarHBondContact O-CG2 3.22Å; C1031-V1035 PolarHBondContact O-N 2.92Å; L1032-V1035 PolarHBondContact O-N 2.85Å; V1035-L1039 HydrophobicContact CG1-CD1 4.43Å; V1035-L1039 WeakPolarHBondContact O-CG 3.47Å; V1035-L1039 PolarHBondContact O-N 2.95Å; V1035-L1039 VanDerWaalsContact O-N 3.13Å; V1035-L1068 HydrophobicContact CB-CD1 4.22Å; V1035-L1068 HydrophobicContact CG1-CD1 3.58Å |
| 1036 | L | 91.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.1 | -49.2 | 175.1 | -76.9 | 160.5 | 0 | 0 | 0 | 112.3 | L1032 L1033 V1034 A1038 L1039 C1040 L1065 L1068 L1076 F1079 L1082 V1083 | L1032-L1036 HydrophobicContact CG-CD1 4.47Å; L1032-L1036 WeakPolarHBondContact O-CB 3.17Å; L1032-L1036 WeakPolarHBondContact O-CD1 3.41Å; L1032-L1036 VanDerWaalsContact O-CG 3.26Å; L1032-L1036 WeakPolarHBondContact O-CG 3.4Å; L1032-L1036 PolarHBondContact O-N 2.84Å; L1033-L1036 PolarHBondContact O-N 2.85Å; V1034-L1036 PolarHBondContact O-N 2.95Å; L1036-A1038 VanDerWaalsContact C-N 3.31Å; L1036-A1038 PolarHBondContact O-N 2.95Å; L1036-L1039 PolarHBondContact O-N 3.19Å; L1036-C1040 WeakPolarHBondContact O-CB 3.45Å; L1036-C1040 PolarHBondContact O-N 2.93Å; L1036-L1065 HydrophobicContact CD2-CD1 4.01Å; L1036-L1068 HydrophobicContact CD2-CD2 3.57Å; L1036-L1068 HydrophobicContact CG-CD2 3.8Å; L1036-L1076 HydrophobicContact CD1-CD2 3.84Å; L1036-F1079 HydrophobicContact CD1-CD1 3.46Å; L1036-F1079 VanDerWaalsContact CD1-CD1 3.46Å; L1036-F1079 HydrophobicContact CD1-CE1 3.33Å; L1036-F1079 HydrophobicContact CD1-CG 4.48Å; L1036-F1079 HydrophobicContact CD1-CZ 4.22Å; L1036-F1079 HydrophobicContact CD2-CD1 3.73Å; L1036-F1079 HydrophobicContact CD2-CE1 3.7Å; L1036-F1079 HydrophobicContact CG-CD1 4.21Å; L1036-F1079 HydrophobicContact CG-CE1 3.98Å; L1036-L1082 HydrophobicContact CB-CD1 4.04Å; L1036-V1083 HydrophobicContact CD2-CG2 4.26Å |
| 1037 | Q | 91.8 | Very high | 90 | Very high | 73 Ų | 73 | 35.9 Ų | 35.9 | 34% | 0.341 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -57.9 | -47 | -179 | -175.9 | 63.7 | 46.8 | 0 | 0 | 110.6 | L1033 V1034 L1039 C1040 D1041 | L1033-Q1037 WeakPolarHBondContact O-CB 3.21Å; L1033-Q1037 PolarHBondContact O-N 3.06Å; V1034-Q1037 PolarHBondContact O-N 2.9Å; Q1037-L1039 PolarHBondContact O-N 2.65Å; Q1037-C1040 PolarHBondContact O-N 3.33Å; Q1037-D1041 VanDerWaalsContact NE2-CG 3.33Å; Q1037-D1041 PolarHBondContact NE2-OD1 3.33Å; Q1037-D1041 PolarHBondContact NE2-OD2 3.48Å; Q1037-D1041 PolarHBondContact O-N 2.81Å |
| 1038 | A | 93.2 | Very high | 89.8 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 7% | 0.066 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.9 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | W962 F963 F966 V1034 L1036 L1042 | W962-A1038 HydrophobicContact CB-CB 3.95Å; F963-A1038 HydrophobicContact CB-CB 4.08Å; F966-A1038 HydrophobicContact CD2-CB 4.09Å; F966-A1038 HydrophobicContact CE2-CB 4.38Å; V1034-A1038 WeakPolarHBondContact O-CB 3.48Å; V1034-A1038 PolarHBondContact O-N 3.15Å; V1034-A1038 VanDerWaalsContact O-N 3.09Å; L1036-A1038 VanDerWaalsContact C-N 3.31Å; L1036-A1038 PolarHBondContact O-N 2.95Å; A1038-L1042 WeakPolarHBondContact O-CB 3.48Å; A1038-L1042 PolarHBondContact O-N 2.71Å |
| 1039 | L | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.6 | -38.6 | 176.3 | -74.2 | 170.9 | 0 | 0 | 0 | 112.7 | F966 V1035 L1036 Q1037 S1043 Q1064 L1065 L1068 | F966-L1039 HydrophobicContact CB-CD2 4.34Å; F966-L1039 HydrophobicContact CD1-CD2 3.81Å; F966-L1039 HydrophobicContact CD2-CD2 3.7Å; F966-L1039 HydrophobicContact CD2-CG 3.82Å; F966-L1039 HydrophobicContact CE1-CD2 3.93Å; F966-L1039 HydrophobicContact CE1-CG 4.39Å; F966-L1039 HydrophobicContact CE2-CD1 4.09Å; F966-L1039 HydrophobicContact CE2-CD2 3.83Å; F966-L1039 HydrophobicContact CE2-CG 3.57Å; F966-L1039 HydrophobicContact CG-CD2 3.71Å; F966-L1039 HydrophobicContact CG-CG 4.34Å; F966-L1039 HydrophobicContact CZ-CD1 3.96Å; F966-L1039 HydrophobicContact CZ-CD2 3.93Å; F966-L1039 HydrophobicContact CZ-CG 3.88Å; V1035-L1039 HydrophobicContact CG1-CD1 4.43Å; V1035-L1039 WeakPolarHBondContact O-CG 3.47Å; V1035-L1039 PolarHBondContact O-N 2.95Å; V1035-L1039 VanDerWaalsContact O-N 3.13Å; L1036-L1039 PolarHBondContact O-N 3.19Å; Q1037-L1039 PolarHBondContact O-N 2.65Å; L1039-S1043 VanDerWaalsContact O-CB 3.27Å; L1039-S1043 WeakPolarHBondContact O-CB 3.3Å; L1039-S1043 PolarHBondContact O-N 2.92Å; L1039-S1043 PolarHBondContact O-OG 3.15Å; L1039-Q1064 HydrophobicContact CD1-CB 4.15Å; L1039-Q1064 HydrophobicContact CD2-CB 3.78Å; L1039-L1065 HydrophobicContact CB-CB 4.31Å; L1039-L1065 HydrophobicContact CB-CD1 3.98Å; L1039-L1068 HydrophobicContact CD1-CD1 4.15Å |
| 1040 | C | 92.7 | Very high | 88.4 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 175 | -79.4 | 0 | 0 | 0 | 0 | 111.7 | L1036 Q1037 S1043 K1044 L1082 V1086 | L1036-C1040 WeakPolarHBondContact O-CB 3.45Å; L1036-C1040 PolarHBondContact O-N 2.93Å; Q1037-C1040 PolarHBondContact O-N 3.33Å; C1040-S1043 PolarHBondContact O-N 3.05Å; C1040-K1044 VanDerWaalsContact O-CG 3.29Å; C1040-K1044 WeakPolarHBondContact O-CG 3.49Å; C1040-K1044 PolarHBondContact O-N 3.14Å; C1040-L1082 PolarHBondContact SG-O 3.34Å; C1040-V1086 HydrophobicContact CB-CG2 4.09Å |
| 1041 | D | 92 | Very high | 87.2 | Confident | 55 Ų | 55 | 34.1 Ų | 34.1 | 29% | 0.294 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -71.8 | -41.1 | 178.8 | -69.2 | -29.4 | 0 | 0 | 0 | 112.2 | F963 Q1037 S1043 K1044 E1045 | F963-D1041 HydrophobicContact CD2-CB 4.37Å; F963-D1041 HydrophobicContact CE2-CB 4.16Å; Q1037-D1041 VanDerWaalsContact NE2-CG 3.33Å; Q1037-D1041 PolarHBondContact NE2-OD1 3.33Å; Q1037-D1041 PolarHBondContact NE2-OD2 3.48Å; Q1037-D1041 PolarHBondContact O-N 2.81Å; D1041-S1043 VanDerWaalsContact C-N 3.25Å; D1041-S1043 PolarHBondContact O-N 2.9Å; D1041-K1044 WeakPolarHBondContact O-CB 3.11Å; D1041-K1044 PolarHBondContact O-N 3.16Å; D1041-K1044 WeakPolarHBondContact OD1-CE 3.39Å; D1041-K1044 IonicContact OD1-NZ 3.5Å; D1041-K1044 PolarHBondContact OD1-NZ 3.19Å; D1041-E1045 PolarHBondContact O-N 3.4Å |
| 1042 | L | 91.9 | Very high | 85.9 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.6 | -30.4 | 171.8 | -171.7 | 63.9 | 0 | 0 | 0 | 112.2 | F963 F966 Q967 A1038 E1045 T1046 A1061 | F963-L1042 HydrophobicContact CE2-CB 4.12Å; F963-L1042 HydrophobicContact CE2-CD1 4.48Å; F966-L1042 HydrophobicContact CB-CD2 3.68Å; Q967-L1042 HydrophobicContact CB-CD1 4.04Å; Q967-L1042 HydrophobicContact CG-CD1 3.93Å; A1038-L1042 WeakPolarHBondContact O-CB 3.48Å; A1038-L1042 PolarHBondContact O-N 2.71Å; L1042-E1045 WeakPolarHBondContact CD1-OE2 3.33Å; L1042-T1046 WeakPolarHBondContact O-CB 3.33Å; L1042-T1046 PolarHBondContact O-N 3.13Å; L1042-T1046 PolarHBondContact O-OG1 3.37Å; L1042-A1061 HydrophobicContact CB-CB 4.04Å; L1042-A1061 HydrophobicContact CD2-CB 3.83Å; L1042-A1061 HydrophobicContact CG-CB 3.75Å |
| 1043 | S | 91.2 | Very high | 84.1 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.1 | -31.9 | 171.7 | -60 | 0 | 0 | 0 | 0 | 112.6 | L1039 C1040 D1041 T1046 L1047 | L1039-S1043 VanDerWaalsContact O-CB 3.27Å; L1039-S1043 WeakPolarHBondContact O-CB 3.3Å; L1039-S1043 PolarHBondContact O-N 2.92Å; L1039-S1043 PolarHBondContact O-OG 3.15Å; C1040-S1043 PolarHBondContact O-N 3.05Å; D1041-S1043 VanDerWaalsContact C-N 3.25Å; D1041-S1043 PolarHBondContact O-N 2.9Å; S1043-T1046 WeakPolarHBondContact O-CB 3.04Å; S1043-T1046 PolarHBondContact O-N 3.19Å; S1043-L1047 WeakPolarHBondContact O-CG 3.46Å; S1043-L1047 PolarHBondContact O-N 2.95Å |
| 1044 | K | 89.4 | Confident | 82.4 | Confident | 80 Ų | 80 | 48 Ų | 48 | 35% | 0.348 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69 | -42.1 | 171.3 | -67.1 | 162 | -154.7 | 165.3 | 0 | 111.6 | C1040 D1041 T1046 L1047 Q1048 | C1040-K1044 VanDerWaalsContact O-CG 3.29Å; C1040-K1044 WeakPolarHBondContact O-CG 3.49Å; C1040-K1044 PolarHBondContact O-N 3.14Å; D1041-K1044 WeakPolarHBondContact O-CB 3.11Å; D1041-K1044 PolarHBondContact O-N 3.16Å; D1041-K1044 WeakPolarHBondContact OD1-CE 3.39Å; D1041-K1044 IonicContact OD1-NZ 3.5Å; D1041-K1044 PolarHBondContact OD1-NZ 3.19Å; K1044-T1046 VanDerWaalsContact C-N 3.26Å; K1044-T1046 PolarHBondContact O-N 3.26Å; K1044-L1047 PolarHBondContact O-N 2.93Å; K1044-Q1048 VanDerWaalsContact O-CG 3.3Å; K1044-Q1048 WeakPolarHBondContact O-CG 3.46Å; K1044-Q1048 PolarHBondContact O-N 3.12Å |
| 1045 | E | 86.8 | Confident | 80.9 | Confident | 84 Ų | 84 | 53.5 Ų | 53.5 | 39% | 0.393 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.4 | -43.6 | 170.7 | -69.3 | -165.6 | 149.1 | 0 | 0 | 110.8 | Q967 D1041 L1042 Q1048 S1049 | Q967-E1045 PolarHBondContact NE2-OE2 3.14Å; D1041-E1045 PolarHBondContact O-N 3.4Å; L1042-E1045 WeakPolarHBondContact CD1-OE2 3.33Å; E1045-Q1048 PolarHBondContact O-N 3.06Å; E1045-S1049 WeakPolarHBondContact O-CB 3.41Å; E1045-S1049 PolarHBondContact O-N 3.44Å; E1045-S1049 PolarHBondContact O-OG 2.86Å |
| 1046 | T | 85.5 | Confident | 79.7 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.1 | -51.4 | 178.5 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | L1042 S1043 K1044 Q1048 S1049 A1050 V1057 Q1058 I1062 | L1042-T1046 WeakPolarHBondContact O-CB 3.33Å; L1042-T1046 PolarHBondContact O-N 3.13Å; L1042-T1046 PolarHBondContact O-OG1 3.37Å; S1043-T1046 WeakPolarHBondContact O-CB 3.04Å; S1043-T1046 PolarHBondContact O-N 3.19Å; K1044-T1046 VanDerWaalsContact C-N 3.26Å; K1044-T1046 PolarHBondContact O-N 3.26Å; T1046-Q1048 PolarHBondContact O-N 3.31Å; T1046-S1049 PolarHBondContact O-N 2.93Å; T1046-S1049 PolarHBondContact O-OG 2.96Å; T1046-A1050 PolarHBondContact O-N 3.32Å; T1046-V1057 HydrophobicContact CG2-CG1 4.23Å; T1046-Q1058 WeakPolarHBondContact CG2-O 3.19Å; T1046-I1062 HydrophobicContact CG2-CD1 4.12Å |
| 1047 | L | 85.4 | Confident | 79 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 13% | 0.131 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.7 | -46.1 | 174.9 | -78.6 | 165.5 | 0 | 0 | 0 | 112.5 | S1043 K1044 L1090 H1093 | S1043-L1047 WeakPolarHBondContact O-CG 3.46Å; S1043-L1047 PolarHBondContact O-N 2.95Å; K1044-L1047 PolarHBondContact O-N 2.93Å; L1047-L1090 HydrophobicContact CD2-CD2 3.78Å; L1047-L1090 HydrophobicContact CD2-CG 4.16Å; L1047-L1090 HydrophobicContact CG-CD2 4.29Å; L1047-H1093 HydrophobicContact CD2-CB 4.34Å |
| 1048 | Q | 85 | Confident | 78.7 | Confident | 149 Ų | 149 | 59 Ų | 59 | 70% | 0.696 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.7 | -41.5 | -179.7 | -70.2 | 172.5 | 9.5 | 0 | 0 | 112.4 | K1044 E1045 T1046 A1050 A1051 | K1044-Q1048 VanDerWaalsContact O-CG 3.3Å; K1044-Q1048 WeakPolarHBondContact O-CG 3.46Å; K1044-Q1048 PolarHBondContact O-N 3.12Å; E1045-Q1048 PolarHBondContact O-N 3.06Å; T1046-Q1048 PolarHBondContact O-N 3.31Å; Q1048-A1050 VanDerWaalsContact C-N 3.32Å; Q1048-A1050 PolarHBondContact O-N 3.2Å; Q1048-A1051 PolarHBondContact O-N 3.39Å |
| 1049 | S | 77.3 | Confident | 78.5 | Confident | 53 Ų | 53 | 59.2 Ų | 59.2 | 37% | 0.371 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.5 | -32.4 | -178.3 | 70.9 | 0 | 0 | 0 | 0 | 113.4 | E1045 T1046 A1051 S1052 | E1045-S1049 WeakPolarHBondContact O-CB 3.41Å; E1045-S1049 PolarHBondContact O-N 3.44Å; E1045-S1049 PolarHBondContact O-OG 2.86Å; T1046-S1049 PolarHBondContact O-N 2.93Å; T1046-S1049 PolarHBondContact O-OG 2.96Å; S1049-A1051 PolarHBondContact O-N 3.16Å; S1049-S1052 PolarHBondContact O-N 2.88Å; S1049-S1052 VanDerWaalsContact O-N 3.12Å; S1049-S1052 PolarHBondContact O-OG 3.33Å |
| 1050 | A | 70 | Confident | 78.4 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 13% | 0.132 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -7.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T1046 Q1048 S1052 V1057 L1098 | T1046-A1050 PolarHBondContact O-N 3.32Å; Q1048-A1050 VanDerWaalsContact C-N 3.32Å; Q1048-A1050 PolarHBondContact O-N 3.2Å; A1050-S1052 PolarHBondContact O-N 3.14Å; A1050-V1057 HydrophobicContact CB-CG2 3.87Å; A1050-L1098 HydrophobicContact CB-CD1 3.4Å |
| 1051 | A | 61.7 | Low | 78.3 | Confident | 72 Ų | 72 | 59.3 Ų | 59.3 | 60% | 0.595 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q1048 S1049 | Q1048-A1051 PolarHBondContact O-N 3.39Å; S1049-A1051 PolarHBondContact O-N 3.16Å |
| 1052 | S | 62.9 | Low | 78.3 | Confident | 54 Ų | 54 | 56.8 Ų | 56.8 | 38% | 0.378 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -90.9 | 122.7 | 176 | 67.6 | 0 | 0 | 0 | 0 | 111.6 | S1049 A1050 N1054 | S1049-S1052 PolarHBondContact O-N 2.88Å; S1049-S1052 VanDerWaalsContact O-N 3.12Å; S1049-S1052 PolarHBondContact O-OG 3.33Å; A1050-S1052 PolarHBondContact O-N 3.14Å; S1052-N1054 PolarHBondContact O-N 3.41Å |
| 1053 | V | 51.7 | Low | 78.2 | Confident | 141 Ų | 141 | 57.4 Ų | 57.4 | 86% | 0.855 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.7 | -161.6 | 179.6 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1054 | N | 53.5 | Low | 78.3 | Confident | 156 Ų | 156 | 57.6 Ų | 57.6 | 83% | 0.834 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.4 | 45.5 | -172.8 | -70.6 | -20.1 | 0 | 0 | 0 | 113.4 | S1052 | S1052-N1054 PolarHBondContact O-N 3.41Š|
| 1055 | K | 60 | Low | 78.4 | Confident | 151 Ų | 151 | 54 Ų | 54 | 66% | 0.657 | 30% | 0.296 | S | S | * | . | trans | -132 | 137 | 172 | -75.6 | -169 | 174.9 | -176 | 0 | 112.9 | V1057 | K1055-V1057 PolarHBondContact O-N 3.04Š| ||
| 1056 | D | 67 | Low | 78.5 | Confident | 119 Ų | 119 | 50.1 Ų | 50.1 | 64% | 0.636 | 28% | 0.279 | S | S | * | . | trans | -65.3 | 121.7 | 172.7 | -99.7 | -68.5 | 0 | 0 | 0 | 111.7 | K979 | K979-D1056 IonicContact NZ-OD1 2.71Å; K979-D1056 PolarHBondContact NZ-OD1 3.3Å | ||
| 1057 | V | 77.6 | Confident | 78.7 | Confident | 21 Ų | 21 | 51.4 Ų | 51.4 | 13% | 0.127 | 29% | 0.285 | C | S | . | . | trans | -73.6 | 127.2 | 178.3 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | T1046 A1050 K1055 F1059 L1098 | T1046-V1057 HydrophobicContact CG2-CG1 4.23Å; A1050-V1057 HydrophobicContact CB-CG2 3.87Å; K1055-V1057 PolarHBondContact O-N 3.04Å; V1057-F1059 HydrophobicContact CB-CE2 3.9Å; V1057-F1059 HydrophobicContact CB-CZ 3.82Å; V1057-F1059 HydrophobicContact CG1-CD1 4.28Å; V1057-F1059 HydrophobicContact CG1-CD2 4.44Å; V1057-F1059 HydrophobicContact CG1-CE1 3.73Å; V1057-F1059 HydrophobicContact CG1-CE2 3.89Å; V1057-F1059 HydrophobicContact CG1-CZ 3.5Å; V1057-F1059 VanDerWaalsContact CG1-CZ 3.5Å; V1057-F1059 WeakPolarHBondContact O-CD2 3.23Å; V1057-F1059 WeakPolarHBondContact O-CE2 3.46Å; V1057-L1098 HydrophobicContact CG1-CD1 3.98Å; V1057-L1098 HydrophobicContact CG1-CD2 3.81Å; V1057-L1098 HydrophobicContact CG1-CG 3.92Å; V1057-L1098 HydrophobicContact CG2-CD1 4.45Å | ||
| 1058 | Q | 84.4 | Confident | 78.9 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 23% | 0.229 | 28% | 0.28 | C | S | . | . | trans | -96.5 | 111.2 | -177.4 | -62.7 | -68 | -22.6 | 0 | 0 | 110.2 | Q970 S974 T1046 | Q970-Q1058 HydrophobicContact CG-CB 3.89Å; Q970-Q1058 HydrophobicContact CG-CG 4.32Å; S974-Q1058 PolarHBondContact OG-NE2 3.41Å; T1046-Q1058 WeakPolarHBondContact CG2-O 3.19Å | ||
| 1059 | F | 88.8 | Confident | 79.1 | Confident | 13 Ų | 13 | 43.5 Ų | 43.5 | 6% | 0.057 | 25% | 0.247 | C | C | . | . | trans | -92.1 | 2.1 | -173.3 | -64.5 | -79.4 | 0 | 0 | 0 | 114.7 | P980 V1057 I1062 W1063 L1098 W1101 | P980-F1059 HydrophobicContact CG-CB 3.93Å; V1057-F1059 HydrophobicContact CB-CE2 3.9Å; V1057-F1059 HydrophobicContact CB-CZ 3.82Å; V1057-F1059 HydrophobicContact CG1-CD1 4.28Å; V1057-F1059 HydrophobicContact CG1-CD2 4.44Å; V1057-F1059 HydrophobicContact CG1-CE1 3.73Å; V1057-F1059 HydrophobicContact CG1-CE2 3.89Å; V1057-F1059 HydrophobicContact CG1-CZ 3.5Å; V1057-F1059 VanDerWaalsContact CG1-CZ 3.5Å; V1057-F1059 WeakPolarHBondContact O-CD2 3.23Å; V1057-F1059 WeakPolarHBondContact O-CE2 3.46Å; F1059-I1062 HydrophobicContact CD1-CD1 3.98Å; F1059-I1062 PolarHBondContact O-N 3.16Å; F1059-W1063 PolarHBondContact O-N 2.98Å; F1059-L1098 HydrophobicContact CD1-CD2 4.29Å; F1059-L1098 HydrophobicContact CE1-CD2 3.71Å; F1059-L1098 HydrophobicContact CE1-CG 4.04Å; F1059-W1101 HydrophobicContact CB-CD2 4.37Å; F1059-W1101 HydrophobicContact CB-CZ2 4.04Å; F1059-W1101 HydrophobicContact CD1-CB 4.18Å; F1059-W1101 AromaticContact CD1-CD1 3.18Å; F1059-W1101 AromaticContact CD1-CD2 3.96Å; F1059-W1101 HydrophobicContact CD1-CD2 3.96Å; F1059-W1101 AromaticContact CD1-CE2 3.91Å; F1059-W1101 AromaticContact CD1-CG 3.51Å; F1059-W1101 HydrophobicContact CD1-CG 3.51Å; F1059-W1101 AromaticContact CD1-NE1 3.4Å; F1059-W1101 HydrophobicContact CE1-CB 4.29Å; F1059-W1101 AromaticContact CE1-CD1 3.28Å; F1059-W1101 AromaticContact CE1-CG 3.85Å; F1059-W1101 HydrophobicContact CE1-CG 3.85Å; F1059-W1101 AromaticContact CE1-NE1 3.83Å; F1059-W1101 AromaticContact CG-CD1 3.84Å; F1059-W1101 HydrophobicContact CG-CD2 4.42Å; F1059-W1101 AromaticContact CG-CE2 3.95Å; F1059-W1101 HydrophobicContact CG-CG 4.34Å; F1059-W1101 AromaticContact CG-NE1 3.54Å | ||
| 1060 | F | 90.7 | Very high | 79.6 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.2 | -51.4 | -175.8 | 167.7 | -97.9 | 0 | 0 | 0 | 113.5 | F966 L969 Q970 L973 L1017 I1062 W1063 Q1064 | F966-F1060 HydrophobicContact CB-CE1 4.17Å; F966-F1060 AromaticContact CD1-CE1 3.98Å; F966-F1060 HydrophobicContact CD1-CE1 3.98Å; F966-F1060 HydrophobicContact CD1-CZ 4.04Å; F966-F1060 WeakPolarHBondContact O-CE1 3.2Å; L969-F1060 HydrophobicContact CB-CE1 3.96Å; L969-F1060 HydrophobicContact CB-CE2 4.25Å; L969-F1060 HydrophobicContact CB-CZ 3.57Å; L969-F1060 HydrophobicContact CD1-CZ 4.2Å; Q970-F1060 HydrophobicContact CB-CB 4.3Å; Q970-F1060 HydrophobicContact CB-CD1 3.68Å; Q970-F1060 HydrophobicContact CB-CE1 4.39Å; Q970-F1060 HydrophobicContact CB-CG 4.24Å; Q970-F1060 HydrophobicContact CG-CB 4.06Å; Q970-F1060 HydrophobicContact CG-CD1 4.28Å; L973-F1060 HydrophobicContact CD1-CB 4.47Å; L973-F1060 HydrophobicContact CD1-CD2 3.34Å; L973-F1060 HydrophobicContact CD1-CE2 3.82Å; L973-F1060 HydrophobicContact CD1-CG 4.14Å; L1017-F1060 HydrophobicContact CD2-CE2 3.98Å; F1060-I1062 VanDerWaalsContact C-N 3.27Å; F1060-I1062 PolarHBondContact O-N 3.22Å; F1060-W1063 HydrophobicContact CD2-CE3 4.09Å; F1060-W1063 HydrophobicContact CD2-CZ3 4.2Å; F1060-W1063 HydrophobicContact CE2-CZ3 4.34Å; F1060-W1063 PolarHBondContact O-N 3.41Å; F1060-Q1064 HydrophobicContact CD2-CG 4.08Å; F1060-Q1064 HydrophobicContact CE1-CG 4.4Å; F1060-Q1064 HydrophobicContact CE2-CG 3.62Å; F1060-Q1064 HydrophobicContact CZ-CG 3.81Å; F1060-Q1064 PolarHBondContact O-N 2.85Å |
| 1061 | A | 91.1 | Very high | 80.5 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.1 | -40.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1042 L1065 | L1042-A1061 HydrophobicContact CB-CB 4.04Å; L1042-A1061 HydrophobicContact CD2-CB 3.83Å; L1042-A1061 HydrophobicContact CG-CB 3.75Å; A1061-L1065 VanDerWaalsContact O-CB 3.27Å; A1061-L1065 WeakPolarHBondContact O-CB 3.26Å; A1061-L1065 PolarHBondContact O-N 3.37Å |
| 1062 | I | 91.8 | Very high | 81.7 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.8 | -46.2 | 179.9 | -57.2 | 160.4 | 0 | 0 | 0 | 110.4 | T1046 F1059 F1060 L1065 V1066 L1090 L1098 W1101 | T1046-I1062 HydrophobicContact CG2-CD1 4.12Å; F1059-I1062 HydrophobicContact CD1-CD1 3.98Å; F1059-I1062 PolarHBondContact O-N 3.16Å; F1060-I1062 VanDerWaalsContact C-N 3.27Å; F1060-I1062 PolarHBondContact O-N 3.22Å; I1062-L1065 PolarHBondContact O-N 3.42Å; I1062-V1066 WeakPolarHBondContact O-CG2 3.36Å; I1062-V1066 PolarHBondContact O-N 3.27Å; I1062-V1066 VanDerWaalsContact O-N 3.09Å; I1062-L1090 HydrophobicContact CD1-CD1 4.43Å; I1062-L1090 HydrophobicContact CD1-CD2 3.59Å; I1062-L1090 HydrophobicContact CG1-CD1 4.22Å; I1062-L1090 HydrophobicContact CG1-CD2 4.19Å; I1062-L1090 HydrophobicContact CG2-CD1 3.67Å; I1062-L1098 HydrophobicContact CD1-CD2 3.65Å; I1062-W1101 HydrophobicContact CG2-CB 4.35Å; I1062-W1101 HydrophobicContact CG2-CE3 3.89Å |
| 1063 | W | 91.2 | Very high | 82.6 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 6% | 0.057 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.7 | -49.6 | 176.2 | 167.8 | 47 | 0 | 0 | 0 | 112.4 | P980 V988 I990 L1017 F1059 F1060 L1065 V1066 E1067 W1101 | P980-W1063 HydrophobicContact CB-CB 4.37Å; P980-W1063 HydrophobicContact CB-CD2 4.38Å; P980-W1063 HydrophobicContact CB-CE3 4.47Å; P980-W1063 HydrophobicContact CB-CG 4.34Å; P980-W1063 HydrophobicContact CG-CB 4.35Å; V988-W1063 HydrophobicContact CG1-CD2 4.48Å; V988-W1063 HydrophobicContact CG1-CG 4.11Å; I990-W1063 HydrophobicContact CD1-CH2 3.71Å; I990-W1063 HydrophobicContact CD1-CZ2 4.41Å; I990-W1063 HydrophobicContact CD1-CZ3 3.79Å; L1017-W1063 HydrophobicContact CB-CH2 4.07Å; F1059-W1063 PolarHBondContact O-N 2.98Å; F1060-W1063 HydrophobicContact CD2-CE3 4.09Å; F1060-W1063 HydrophobicContact CD2-CZ3 4.2Å; F1060-W1063 HydrophobicContact CE2-CZ3 4.34Å; F1060-W1063 PolarHBondContact O-N 3.41Å; W1063-L1065 VanDerWaalsContact C-N 3.33Å; W1063-L1065 PolarHBondContact O-N 2.93Å; W1063-V1066 PolarHBondContact O-N 2.83Å; W1063-E1067 PolarHBondContact O-N 3.43Å; W1063-E1067 VanDerWaalsContact O-N 3.13Å; W1063-W1101 HydrophobicContact CB-CH2 3.8Å; W1063-W1101 HydrophobicContact CB-CZ3 3.78Å; W1063-W1101 HydrophobicContact CG-CH2 4.36Å |
| 1064 | Q | 91.8 | Very high | 83.8 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.019 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.9 | -37.2 | 179.6 | -74.9 | -68.1 | -55.9 | 0 | 0 | 112 | T1021 L1039 F1060 V1066 L1068 | T1021-Q1064 VanDerWaalsContact OG1-CD 3.29Å; T1021-Q1064 PolarHBondContact OG1-NE2 3.08Å; T1021-Q1064 PolarHBondContact OG1-OE1 3.31Å; L1039-Q1064 HydrophobicContact CD1-CB 4.15Å; L1039-Q1064 HydrophobicContact CD2-CB 3.78Å; F1060-Q1064 HydrophobicContact CD2-CG 4.08Å; F1060-Q1064 HydrophobicContact CE1-CG 4.4Å; F1060-Q1064 HydrophobicContact CE2-CG 3.62Å; F1060-Q1064 HydrophobicContact CZ-CG 3.81Å; F1060-Q1064 PolarHBondContact O-N 2.85Å; Q1064-V1066 VanDerWaalsContact C-N 3.34Å; Q1064-V1066 PolarHBondContact O-N 3.27Å; Q1064-L1068 WeakPolarHBondContact O-CB 3.4Å; Q1064-L1068 PolarHBondContact O-N 3.36Å |
| 1065 | L | 91.8 | Very high | 85.1 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 174.6 | -175.2 | 63.3 | 0 | 0 | 0 | 112 | L1036 L1039 A1061 I1062 W1063 T1069 V1083 V1086 | L1036-L1065 HydrophobicContact CD2-CD1 4.01Å; L1039-L1065 HydrophobicContact CB-CB 4.31Å; L1039-L1065 HydrophobicContact CB-CD1 3.98Å; A1061-L1065 VanDerWaalsContact O-CB 3.27Å; A1061-L1065 WeakPolarHBondContact O-CB 3.26Å; A1061-L1065 PolarHBondContact O-N 3.37Å; I1062-L1065 PolarHBondContact O-N 3.42Å; W1063-L1065 VanDerWaalsContact C-N 3.33Å; W1063-L1065 PolarHBondContact O-N 2.93Å; L1065-T1069 VanDerWaalsContact O-CB 3.3Å; L1065-T1069 WeakPolarHBondContact O-CB 3.03Å; L1065-T1069 PolarHBondContact O-N 3.26Å; L1065-T1069 VanDerWaalsContact O-N 3.09Å; L1065-T1069 PolarHBondContact O-OG1 3.12Å; L1065-V1083 HydrophobicContact CD1-CG2 4.19Å; L1065-V1086 HydrophobicContact CD2-CB 4.28Å; L1065-V1086 HydrophobicContact CD2-CG1 3.93Å |
| 1066 | V | 90.1 | Very high | 85.7 | Confident | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.024 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65 | -58.1 | 178 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | I1062 W1063 Q1064 L1068 T1069 V1070 F1104 A1105 R1108 I1109 | I1062-V1066 WeakPolarHBondContact O-CG2 3.36Å; I1062-V1066 PolarHBondContact O-N 3.27Å; I1062-V1066 VanDerWaalsContact O-N 3.09Å; W1063-V1066 PolarHBondContact O-N 2.83Å; Q1064-V1066 VanDerWaalsContact C-N 3.34Å; Q1064-V1066 PolarHBondContact O-N 3.27Å; V1066-L1068 VanDerWaalsContact C-N 3.35Å; V1066-L1068 PolarHBondContact O-N 2.83Å; V1066-T1069 PolarHBondContact O-N 3.13Å; V1066-V1070 HydrophobicContact CG1-CG2 4.26Å; V1066-V1070 WeakPolarHBondContact O-CB 3.44Å; V1066-V1070 WeakPolarHBondContact O-CG2 3.47Å; V1066-V1070 PolarHBondContact O-N 3.39Å; V1066-F1104 HydrophobicContact CG1-CE1 4.26Å; V1066-A1105 HydrophobicContact CG2-CB 3.29Å; V1066-R1108 HydrophobicContact CG1-CB 4.08Å; V1066-R1108 HydrophobicContact CG1-CG 3.73Å; V1066-I1109 HydrophobicContact CG1-CG1 4.44Å |
| 1067 | E | 89.8 | Confident | 85.7 | Confident | 30 Ų | 30 | 28.2 Ų | 28.2 | 14% | 0.14 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.7 | -36 | -174.3 | -66.1 | -60.8 | 143.7 | 0 | 0 | 111.7 | T1021 W1063 V1070 L1071 R1108 | T1021-E1067 HydrophobicContact CG2-CB 3.91Å; W1063-E1067 PolarHBondContact O-N 3.43Å; W1063-E1067 VanDerWaalsContact O-N 3.13Å; E1067-V1070 PolarHBondContact O-N 2.88Å; E1067-L1071 WeakPolarHBondContact O-CB 3.4Å; E1067-L1071 WeakPolarHBondContact O-CD1 3.38Å; E1067-L1071 VanDerWaalsContact O-CG 3.24Å; E1067-L1071 WeakPolarHBondContact O-CG 3.38Å; E1067-L1071 PolarHBondContact O-N 3.38Å; E1067-R1108 IonicContact OE1-CZ 2.9Å; E1067-R1108 IonicContact OE1-NE 3.25Å; E1067-R1108 PolarHBondContact OE1-NE 2.88Å; E1067-R1108 VanDerWaalsContact OE1-NE 3.08Å; E1067-R1108 IonicContact OE1-NH2 3.57Å; E1067-R1108 IonicContact OE2-CZ 3.75Å; E1067-R1108 IonicContact OE2-NE 3.87Å; E1067-R1108 IonicContact OE2-NH2 3.69Å; E1067-R1108 PolarHBondContact OE2-NH2 3.28Å |
| 1068 | L | 89.9 | Confident | 85.5 | Confident | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65 | -39.3 | 173.8 | -175 | 148.8 | 0 | 0 | 0 | 112.4 | T1021 L1032 V1035 L1036 L1039 Q1064 V1066 N1072 F1079 | T1021-L1068 HydrophobicContact CG2-CB 4.24Å; L1032-L1068 HydrophobicContact CD1-CD2 3.89Å; L1032-L1068 HydrophobicContact CD1-CG 4.31Å; V1035-L1068 HydrophobicContact CB-CD1 4.22Å; V1035-L1068 HydrophobicContact CG1-CD1 3.58Å; L1036-L1068 HydrophobicContact CD2-CD2 3.57Å; L1036-L1068 HydrophobicContact CG-CD2 3.8Å; L1039-L1068 HydrophobicContact CD1-CD1 4.15Å; Q1064-L1068 WeakPolarHBondContact O-CB 3.4Å; Q1064-L1068 PolarHBondContact O-N 3.36Å; V1066-L1068 VanDerWaalsContact C-N 3.35Å; V1066-L1068 PolarHBondContact O-N 2.83Å; L1068-N1072 PolarHBondContact O-ND2 3.42Å; L1068-F1079 HydrophobicContact CD2-CE1 4.45Å |
| 1069 | T | 88.7 | Confident | 85.2 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.3 | -51.4 | 174.1 | -58.9 | 0 | 0 | 0 | 0 | 110.3 | L1065 V1066 L1071 N1072 L1073 F1079 V1083 I1109 | L1065-T1069 VanDerWaalsContact O-CB 3.3Å; L1065-T1069 WeakPolarHBondContact O-CB 3.03Å; L1065-T1069 PolarHBondContact O-N 3.26Å; L1065-T1069 VanDerWaalsContact O-N 3.09Å; L1065-T1069 PolarHBondContact O-OG1 3.12Å; V1066-T1069 PolarHBondContact O-N 3.13Å; T1069-L1071 PolarHBondContact O-N 3.27Å; T1069-N1072 PolarHBondContact O-N 2.91Å; T1069-N1072 VanDerWaalsContact O-N 3.11Å; T1069-L1073 HydrophobicContact CG2-CD2 4.33Å; T1069-L1073 PolarHBondContact O-N 2.94Å; T1069-L1073 VanDerWaalsContact O-N 3.13Å; T1069-F1079 HydrophobicContact CG2-CD1 4.15Å; T1069-V1083 HydrophobicContact CG2-CG2 4.45Å; T1069-I1109 HydrophobicContact CG2-CD1 4.12Å; T1069-I1109 HydrophobicContact CG2-CG1 4.31Å; T1069-I1109 HydrophobicContact CG2-CG2 4.41Å |
| 1070 | V | 87.7 | Confident | 84.8 | Confident | 10 Ų | 10 | 27.5 Ų | 27.5 | 6% | 0.061 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -54.8 | -47.3 | -179.4 | 168.4 | 0 | 0 | 0 | 0 | 112 | V1066 E1067 N1072 R1108 I1109 T1112 | V1066-V1070 HydrophobicContact CG1-CG2 4.26Å; V1066-V1070 WeakPolarHBondContact O-CB 3.44Å; V1066-V1070 WeakPolarHBondContact O-CG2 3.47Å; V1066-V1070 PolarHBondContact O-N 3.39Å; E1067-V1070 PolarHBondContact O-N 2.88Å; V1070-N1072 PolarHBondContact O-N 2.91Å; V1070-R1108 HydrophobicContact CG2-CG 4.1Å; V1070-I1109 HydrophobicContact CG2-CG1 3.9Å; V1070-T1112 HydrophobicContact CG1-CG2 3.73Å |
| 1071 | L | 87.7 | Confident | 84.5 | Confident | 78 Ų | 78 | 34.8 Ų | 34.8 | 41% | 0.408 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -14.8 | -178.6 | -75.3 | 164.7 | 0 | 0 | 0 | 114.6 | T1021 E1067 T1069 | T1021-L1071 HydrophobicContact CG2-CD1 4.06Å; T1021-L1071 WeakPolarHBondContact O-CD1 3.28Å; E1067-L1071 WeakPolarHBondContact O-CB 3.4Å; E1067-L1071 WeakPolarHBondContact O-CD1 3.38Å; E1067-L1071 VanDerWaalsContact O-CG 3.24Å; E1067-L1071 WeakPolarHBondContact O-CG 3.38Å; E1067-L1071 PolarHBondContact O-N 3.38Å; T1069-L1071 PolarHBondContact O-N 3.27Å |
| 1072 | N | 87.3 | Confident | 84.2 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.011 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | 7 | -171.1 | -68 | -86.8 | 0 | 0 | 0 | 114.2 | S1024 S1025 L1032 L1068 T1069 V1070 R1074 R1075 F1079 | S1024-N1072 PolarHBondContact O-OD1 2.99Å; S1024-N1072 PolarHBondContact OG-ND2 3.36Å; S1025-N1072 WeakPolarHBondContact CA-OD1 3.39Å; L1032-N1072 HydrophobicContact CD2-CB 3.89Å; L1068-N1072 PolarHBondContact O-ND2 3.42Å; T1069-N1072 PolarHBondContact O-N 2.91Å; T1069-N1072 VanDerWaalsContact O-N 3.11Å; V1070-N1072 PolarHBondContact O-N 2.91Å; N1072-R1074 VanDerWaalsContact C-N 3.25Å; N1072-R1074 PolarHBondContact O-N 3.16Å; N1072-R1075 WeakPolarHBondContact O-CB 3.5Å; N1072-R1075 VanDerWaalsContact O-CG 3.29Å; N1072-R1075 WeakPolarHBondContact O-CG 3.37Å; N1072-R1075 PolarHBondContact O-N 3.44Å; N1072-R1075 WeakPolarHBondContact OD1-CD 3.21Å; N1072-R1075 PolarHBondContact OD1-NH1 3.2Å; N1072-F1079 HydrophobicContact CB-CE1 4.39Å; N1072-F1079 HydrophobicContact CB-CE2 4Å; N1072-F1079 HydrophobicContact CB-CZ 3.44Å; N1072-F1079 VanDerWaalsContact CB-CZ 3.44Å; N1072-F1079 VanDerWaalsContact O-CE2 3.23Å; N1072-F1079 WeakPolarHBondContact O-CE2 3.26Å |
| 1073 | L | 81.4 | Confident | 84 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -42.3 | -40.8 | -172 | -82.5 | 165.7 | 0 | 0 | 0 | 116.4 | T1069 R1075 W1080 I1109 A1113 M1116 I1119 | T1069-L1073 HydrophobicContact CG2-CD2 4.33Å; T1069-L1073 PolarHBondContact O-N 2.94Å; T1069-L1073 VanDerWaalsContact O-N 3.13Å; L1073-R1075 VanDerWaalsContact C-N 3.25Å; L1073-R1075 PolarHBondContact O-N 3.33Å; L1073-W1080 HydrophobicContact CD2-CZ2 3.96Å; L1073-I1109 HydrophobicContact CD2-CG2 4.17Å; L1073-A1113 HydrophobicContact CD1-CB 3.85Å; L1073-M1116 HydrophobicContact CB-SD 4.46Å; L1073-M1116 HydrophobicContact CD1-SD 4.33Å; L1073-I1119 HydrophobicContact CB-CD1 4.43Å |
| 1074 | R | 77 | Confident | 83.9 | Confident | 151 Ų | 151 | 36.8 Ų | 36.8 | 57% | 0.57 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -76.5 | 5.1 | -179.5 | -71.8 | -174.3 | 176.2 | 161.4 | -1.6 | 115.3 | N1072 M1116 D1117 I1119 | N1072-R1074 VanDerWaalsContact C-N 3.25Å; N1072-R1074 PolarHBondContact O-N 3.16Å; R1074-M1116 HydrophobicContact CG-CE 3.87Å; R1074-D1117 PolarHBondContact NH2-O 2.76Å; R1074-I1119 HydrophobicContact CG-CD1 3.7Å; R1074-I1119 HydrophobicContact CG-CG1 4.05Å |
| 1075 | R | 81.9 | Confident | 83.8 | Confident | 77 Ų | 77 | 40.4 Ų | 40.4 | 29% | 0.291 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -114.6 | -12.1 | -162.5 | -54.6 | -175.9 | 68.8 | -142.6 | -6 | 116.4 | S1024 S1025 Y1027 E1029 N1072 L1073 | S1024-R1075 PolarHBondContact O-NH1 3.16Å; S1025-R1075 PolarHBondContact O-NH1 3.02Å; Y1027-R1075 PolarHBondContact O-NH1 3.29Å; Y1027-R1075 PolarHBondContact O-NH2 3.37Å; E1029-R1075 WeakPolarHBondContact CG-O 3.37Å; N1072-R1075 WeakPolarHBondContact O-CB 3.5Å; N1072-R1075 VanDerWaalsContact O-CG 3.29Å; N1072-R1075 WeakPolarHBondContact O-CG 3.37Å; N1072-R1075 PolarHBondContact O-N 3.44Å; N1072-R1075 WeakPolarHBondContact OD1-CD 3.21Å; N1072-R1075 PolarHBondContact OD1-NH1 3.2Å; L1073-R1075 VanDerWaalsContact C-N 3.25Å; L1073-R1075 PolarHBondContact O-N 3.33Å |
| 1076 | L | 71.2 | Confident | 83.8 | Confident | 14 Ų | 14 | 40.4 Ų | 40.4 | 7% | 0.073 | 20% | 0.201 | C | C | . | . | trans | -164.8 | 96.9 | -171.1 | -174.4 | 95.1 | 0 | 0 | 0 | 112.6 | E1029 L1033 L1036 S1078 F1079 | E1029-L1076 HydrophobicContact CB-CD1 4.02Å; E1029-L1076 HydrophobicContact CG-CD1 4.32Å; L1033-L1076 HydrophobicContact CD1-CD1 4Å; L1033-L1076 HydrophobicContact CD2-CD1 4.35Å; L1033-L1076 HydrophobicContact CD2-CD2 3.74Å; L1033-L1076 HydrophobicContact CG-CD1 3.89Å; L1033-L1076 HydrophobicContact CG-CD2 3.89Å; L1036-L1076 HydrophobicContact CD1-CD2 3.84Å; L1076-S1078 PolarHBondContact O-N 3.39Å; L1076-F1079 HydrophobicContact CB-CD2 3.78Å; L1076-F1079 HydrophobicContact CB-CE2 3.58Å; L1076-F1079 HydrophobicContact CB-CZ 4.24Å; L1076-F1079 HydrophobicContact CD2-CD1 4.45Å; L1076-F1079 HydrophobicContact CD2-CD2 4.35Å; L1076-F1079 HydrophobicContact CD2-CE2 4.41Å; L1076-F1079 HydrophobicContact CD2-CG 4.29Å; L1076-F1079 HydrophobicContact CD2-CZ 4.49Å; L1076-F1079 WeakPolarHBondContact O-CD2 3.21Å; L1076-F1079 PolarHBondContact O-N 3.46Å | ||
| 1077 | D | 68.8 | Low | 83.8 | Confident | 103 Ų | 103 | 40.4 Ų | 40.4 | 55% | 0.551 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -31.8 | 179.4 | -55.1 | -8.5 | 0 | 0 | 0 | 113.5 | F1079 V1124 | D1077-F1079 PolarHBondContact O-N 3.5Å; D1077-V1124 HydrophobicContact CB-CG1 4.24Å |
| 1078 | S | 73.1 | Confident | 83.9 | Confident | 47 Ų | 47 | 40.8 Ų | 40.8 | 33% | 0.329 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -13.9 | 178.5 | -51.2 | 0 | 0 | 0 | 0 | 115 | L1076 W1080 Q1081 | L1076-S1078 PolarHBondContact O-N 3.39Å; S1078-W1080 PolarHBondContact O-N 3.43Å; S1078-W1080 VanDerWaalsContact O-N 3.16Å; S1078-Q1081 PolarHBondContact O-N 3.3Å; S1078-Q1081 VanDerWaalsContact O-N 3.08Å |
| 1079 | F | 78 | Confident | 83.9 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -45.1 | -48.4 | 174 | -85.1 | -65.3 | 0 | 0 | 0 | 111.3 | L1032 L1036 L1068 T1069 N1072 L1076 D1077 Q1081 L1082 V1083 | L1032-F1079 HydrophobicContact CD2-CZ 3.84Å; L1032-F1079 HydrophobicContact CG-CZ 4.35Å; L1036-F1079 HydrophobicContact CD1-CD1 3.46Å; L1036-F1079 VanDerWaalsContact CD1-CD1 3.46Å; L1036-F1079 HydrophobicContact CD1-CE1 3.33Å; L1036-F1079 HydrophobicContact CD1-CG 4.48Å; L1036-F1079 HydrophobicContact CD1-CZ 4.22Å; L1036-F1079 HydrophobicContact CD2-CD1 3.73Å; L1036-F1079 HydrophobicContact CD2-CE1 3.7Å; L1036-F1079 HydrophobicContact CG-CD1 4.21Å; L1036-F1079 HydrophobicContact CG-CE1 3.98Å; L1068-F1079 HydrophobicContact CD2-CE1 4.45Å; T1069-F1079 HydrophobicContact CG2-CD1 4.15Å; N1072-F1079 HydrophobicContact CB-CE1 4.39Å; N1072-F1079 HydrophobicContact CB-CE2 4Å; N1072-F1079 HydrophobicContact CB-CZ 3.44Å; N1072-F1079 VanDerWaalsContact CB-CZ 3.44Å; N1072-F1079 VanDerWaalsContact O-CE2 3.23Å; N1072-F1079 WeakPolarHBondContact O-CE2 3.26Å; L1076-F1079 HydrophobicContact CB-CD2 3.78Å; L1076-F1079 HydrophobicContact CB-CE2 3.58Å; L1076-F1079 HydrophobicContact CB-CZ 4.24Å; L1076-F1079 HydrophobicContact CD2-CD1 4.45Å; L1076-F1079 HydrophobicContact CD2-CD2 4.35Å; L1076-F1079 HydrophobicContact CD2-CE2 4.41Å; L1076-F1079 HydrophobicContact CD2-CG 4.29Å; L1076-F1079 HydrophobicContact CD2-CZ 4.49Å; L1076-F1079 WeakPolarHBondContact O-CD2 3.21Å; L1076-F1079 PolarHBondContact O-N 3.46Å; D1077-F1079 PolarHBondContact O-N 3.5Å; F1079-Q1081 VanDerWaalsContact C-N 3.26Å; F1079-Q1081 PolarHBondContact O-N 3.34Å; F1079-L1082 PolarHBondContact O-N 2.89Å; F1079-L1082 VanDerWaalsContact O-N 3.1Å; F1079-V1083 WeakPolarHBondContact O-CB 3.49Å; F1079-V1083 WeakPolarHBondContact O-CG2 3.34Å; F1079-V1083 PolarHBondContact O-N 2.97Å |
| 1080 | W | 80.8 | Confident | 84.1 | Confident | 20 Ų | 20 | 41.6 Ų | 41.6 | 8% | 0.076 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.1 | -23.3 | -172.4 | -59.9 | 102.2 | 0 | 0 | 0 | 113.8 | L1073 S1078 S1084 I1109 L1125 I1129 L1132 | L1073-W1080 HydrophobicContact CD2-CZ2 3.96Å; S1078-W1080 PolarHBondContact O-N 3.43Å; S1078-W1080 VanDerWaalsContact O-N 3.16Å; W1080-S1084 WeakPolarHBondContact O-CB 3.42Å; W1080-S1084 PolarHBondContact O-N 3.35Å; W1080-S1084 PolarHBondContact O-OG 3.29Å; W1080-I1109 HydrophobicContact CH2-CG2 3.52Å; W1080-I1109 HydrophobicContact CZ2-CG2 4.34Å; W1080-I1109 HydrophobicContact CZ3-CG2 4.1Å; W1080-L1125 HydrophobicContact CZ2-CD1 3.64Å; W1080-I1129 HydrophobicContact CH2-CD1 4.49Å; W1080-I1129 HydrophobicContact CH2-CG1 3.64Å; W1080-I1129 HydrophobicContact CZ2-CD1 4.2Å; W1080-I1129 HydrophobicContact CZ2-CG1 3.58Å; W1080-I1129 HydrophobicContact CZ3-CG1 4.46Å; W1080-L1132 HydrophobicContact CE3-CD2 4.29Å; W1080-L1132 HydrophobicContact CZ3-CD2 3.79Å |
| 1081 | Q | 82.9 | Confident | 84.2 | Confident | 155 Ų | 155 | 41.1 Ų | 41.1 | 72% | 0.724 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -74.9 | -31.7 | 175 | -59.4 | -173.3 | 7.6 | 0 | 0 | 111.7 | S1078 F1079 P1085 | S1078-Q1081 PolarHBondContact O-N 3.3Å; S1078-Q1081 VanDerWaalsContact O-N 3.08Å; F1079-Q1081 VanDerWaalsContact C-N 3.26Å; F1079-Q1081 PolarHBondContact O-N 3.34Å; Q1081-P1085 WeakPolarHBondContact O-CD 3.26Å |
| 1082 | L | 85.5 | Confident | 84.3 | Confident | 37 Ų | 37 | 40.3 Ų | 40.3 | 19% | 0.194 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -88.9 | -41.6 | -179.9 | -62.5 | 179.4 | 0 | 0 | 0 | 113 | L1033 L1036 C1040 F1079 | L1033-L1082 HydrophobicContact CD2-CD1 4.02Å; L1036-L1082 HydrophobicContact CB-CD1 4.04Å; C1040-L1082 PolarHBondContact SG-O 3.34Å; F1079-L1082 PolarHBondContact O-N 2.89Å; F1079-L1082 VanDerWaalsContact O-N 3.1Å |
| 1083 | V | 88.3 | Confident | 84.5 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -84.7 | -42.9 | -170.6 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | L1036 L1065 T1069 F1079 V1086 V1087 I1109 | L1036-V1083 HydrophobicContact CD2-CG2 4.26Å; L1065-V1083 HydrophobicContact CD1-CG2 4.19Å; T1069-V1083 HydrophobicContact CG2-CG2 4.45Å; F1079-V1083 WeakPolarHBondContact O-CB 3.49Å; F1079-V1083 WeakPolarHBondContact O-CG2 3.34Å; F1079-V1083 PolarHBondContact O-N 2.97Å; V1083-V1086 PolarHBondContact O-N 2.85Å; V1083-V1087 HydrophobicContact CG1-CG2 3.75Å; V1083-V1087 PolarHBondContact O-N 3.34Å; V1083-I1109 HydrophobicContact CG1-CD1 4.21Å |
| 1084 | S | 87.9 | Confident | 84.7 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.1 | -42.7 | -174.5 | -49.2 | 0 | 0 | 0 | 0 | 114 | W1080 V1086 V1087 L1088 | W1080-S1084 WeakPolarHBondContact O-CB 3.42Å; W1080-S1084 PolarHBondContact O-N 3.35Å; W1080-S1084 PolarHBondContact O-OG 3.29Å; S1084-V1086 VanDerWaalsContact C-N 3.29Å; S1084-V1086 PolarHBondContact O-N 3.2Å; S1084-V1087 PolarHBondContact O-N 2.83Å; S1084-L1088 WeakPolarHBondContact O-CB 3.31Å; S1084-L1088 WeakPolarHBondContact O-CG 3.19Å; S1084-L1088 PolarHBondContact O-N 2.88Å |
| 1085 | P | 90 | Very high | 85.1 | Confident | 80 Ų | 80 | 39.8 Ų | 39.8 | 52% | 0.519 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.8 | -33.5 | 177 | -22.9 | 35.1 | 0 | 0 | 0 | 113.4 | Q1081 G1089 | Q1081-P1085 WeakPolarHBondContact O-CD 3.26Å; P1085-G1089 PolarHBondContact O-N 3.01Å |
| 1086 | V | 91.4 | Very high | 85.3 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.9 | -45.2 | 177.4 | -179 | 0 | 0 | 0 | 0 | 110.4 | C1040 L1065 V1083 S1084 G1089 L1090 | C1040-V1086 HydrophobicContact CB-CG2 4.09Å; L1065-V1086 HydrophobicContact CD2-CB 4.28Å; L1065-V1086 HydrophobicContact CD2-CG1 3.93Å; V1083-V1086 PolarHBondContact O-N 2.85Å; S1084-V1086 VanDerWaalsContact C-N 3.29Å; S1084-V1086 PolarHBondContact O-N 3.2Å; V1086-G1089 PolarHBondContact O-N 3.44Å; V1086-L1090 HydrophobicContact CG1-CD1 4.21Å; V1086-L1090 WeakPolarHBondContact O-CG 3.4Å; V1086-L1090 PolarHBondContact O-N 2.83Å |
| 1087 | V | 91.3 | Very high | 86 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.024 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 178.6 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | V1083 S1084 L1090 C1091 A1105 F1106 | V1083-V1087 HydrophobicContact CG1-CG2 3.75Å; V1083-V1087 PolarHBondContact O-N 3.34Å; S1084-V1087 PolarHBondContact O-N 2.83Å; V1087-L1090 PolarHBondContact O-N 3.47Å; V1087-C1091 PolarHBondContact O-N 3.35Å; V1087-C1091 PolarHBondContact O-SG 3.08Å; V1087-A1105 HydrophobicContact CG2-CB 4.31Å; V1087-F1106 HydrophobicContact CG1-CB 3.81Å |
| 1088 | L | 90.7 | Very high | 87 | Confident | 39 Ų | 39 | 36.5 Ų | 36.5 | 20% | 0.204 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.1 | -40.5 | 172.9 | -71.8 | 170.6 | 0 | 0 | 0 | 112 | S1084 L1090 C1091 S1092 L1132 D1135 L1136 | S1084-L1088 WeakPolarHBondContact O-CB 3.31Å; S1084-L1088 WeakPolarHBondContact O-CG 3.19Å; S1084-L1088 PolarHBondContact O-N 2.88Å; L1088-L1090 VanDerWaalsContact C-N 3.32Å; L1088-L1090 PolarHBondContact O-N 3.36Å; L1088-C1091 PolarHBondContact O-N 3.25Å; L1088-S1092 WeakPolarHBondContact O-CB 3.41Å; L1088-S1092 PolarHBondContact O-N 2.65Å; L1088-S1092 PolarHBondContact O-OG 3.18Å; L1088-L1132 HydrophobicContact CD1-CD1 4.18Å; L1088-L1132 HydrophobicContact CD2-CD1 3.81Å; L1088-L1132 HydrophobicContact CG-CD1 3.7Å; L1088-D1135 HydrophobicContact CD1-CB 4.16Å; L1088-D1135 HydrophobicContact CD2-CB 4.16Å; L1088-L1136 HydrophobicContact CD2-CD2 3.82Å; L1088-L1136 HydrophobicContact CD2-CG 4.01Å |
| 1089 | G | 90.1 | Very high | 87.9 | Confident | 22 Ų | 22 | 35.3 Ų | 35.3 | 23% | 0.227 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -34.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P1085 V1086 S1092 H1093 | P1085-G1089 PolarHBondContact O-N 3.01Å; V1086-G1089 PolarHBondContact O-N 3.44Å; G1089-S1092 PolarHBondContact O-OG 3.33Å; G1089-H1093 PolarHBondContact O-N 3.04Å |
| 1090 | L | 92 | Very high | 88.4 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.2 | -48.2 | 171.1 | -73 | 163.4 | 0 | 0 | 0 | 111.5 | L1047 I1062 V1086 V1087 L1088 S1092 H1093 L1098 R1099 | L1047-L1090 HydrophobicContact CD2-CD2 3.78Å; L1047-L1090 HydrophobicContact CD2-CG 4.16Å; L1047-L1090 HydrophobicContact CG-CD2 4.29Å; I1062-L1090 HydrophobicContact CD1-CD1 4.43Å; I1062-L1090 HydrophobicContact CD1-CD2 3.59Å; I1062-L1090 HydrophobicContact CG1-CD1 4.22Å; I1062-L1090 HydrophobicContact CG1-CD2 4.19Å; I1062-L1090 HydrophobicContact CG2-CD1 3.67Å; V1086-L1090 HydrophobicContact CG1-CD1 4.21Å; V1086-L1090 WeakPolarHBondContact O-CG 3.4Å; V1086-L1090 PolarHBondContact O-N 2.83Å; V1087-L1090 PolarHBondContact O-N 3.47Å; L1088-L1090 VanDerWaalsContact C-N 3.32Å; L1088-L1090 PolarHBondContact O-N 3.36Å; L1090-S1092 VanDerWaalsContact C-N 3.3Å; L1090-S1092 PolarHBondContact O-N 2.98Å; L1090-H1093 WeakPolarHBondContact O-CB 3.38Å; L1090-H1093 PolarHBondContact O-N 3.4Å; L1090-L1098 HydrophobicContact CD2-CB 4.25Å; L1090-L1098 HydrophobicContact CD2-CD2 3.45Å; L1090-L1098 VanDerWaalsContact CD2-CD2 3.45Å; L1090-L1098 HydrophobicContact CD2-CG 4.43Å; L1090-R1099 WeakPolarHBondContact O-CA 3.38Å; L1090-R1099 WeakPolarHBondContact O-CG 3.28Å |
| 1091 | C | 91.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.2 | -32.8 | 179.6 | -66.6 | 0 | 0 | 0 | 0 | 113.3 | V1087 L1088 R1099 L1136 V1139 Y1141 V1144 | V1087-C1091 PolarHBondContact O-N 3.35Å; V1087-C1091 PolarHBondContact O-SG 3.08Å; L1088-C1091 PolarHBondContact O-N 3.25Å; C1091-R1099 WeakPolarHBondContact O-CD 3.44Å; C1091-R1099 WeakPolarHBondContact O-CG 3.37Å; C1091-L1136 HydrophobicContact CB-CD2 3.79Å; C1091-V1139 HydrophobicContact CB-CG1 4.4Å; C1091-V1139 HydrophobicContact CB-CG2 4.4Å; C1091-V1139 VanDerWaalsContact O-CG1 3.28Å; C1091-V1139 WeakPolarHBondContact O-CG1 3.22Å; C1091-Y1141 WeakPolarHBondContact O-CD2 3.32Å; C1091-V1144 HydrophobicContact CB-CG1 3.92Å; C1091-V1144 HydrophobicContact CB-CG2 4.1Å |
| 1092 | S | 90.2 | Very high | 89.3 | Confident | 61 Ų | 61 | 29.2 Ų | 29.2 | 43% | 0.427 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 1.2 | 177.8 | 61.2 | 0 | 0 | 0 | 0 | 114.5 | L1088 G1089 L1090 Y1141 | L1088-S1092 WeakPolarHBondContact O-CB 3.41Å; L1088-S1092 PolarHBondContact O-N 2.65Å; L1088-S1092 PolarHBondContact O-OG 3.18Å; G1089-S1092 PolarHBondContact O-OG 3.33Å; L1090-S1092 VanDerWaalsContact C-N 3.3Å; L1090-S1092 PolarHBondContact O-N 2.98Å; S1092-Y1141 WeakPolarHBondContact O-CE2 3.26Å |
| 1093 | H | 90 | Very high | 89.6 | Confident | 26 Ų | 26 | 28 Ų | 28 | 12% | 0.12 | 19% | 0.187 | C | C | . | . | trans | -71.3 | 152.5 | -175.5 | -161 | -107 | 0 | 0 | 0 | 113.3 | L1047 G1089 L1090 S1095 L1098 R1099 | L1047-H1093 HydrophobicContact CD2-CB 4.34Å; G1089-H1093 PolarHBondContact O-N 3.04Å; L1090-H1093 WeakPolarHBondContact O-CB 3.38Å; L1090-H1093 PolarHBondContact O-N 3.4Å; H1093-S1095 VanDerWaalsContact C-N 3.35Å; H1093-S1095 PolarHBondContact ND1-N 2.9Å; H1093-S1095 PolarHBondContact O-N 3.36Å; H1093-L1098 HydrophobicContact CB-CB 4.12Å; H1093-L1098 VanDerWaalsContact ND1-CD1 3.29Å; H1093-L1098 WeakPolarHBondContact ND1-CD1 3.29Å; H1093-R1099 WeakPolarHBondContact O-CD 3.5Å; H1093-R1099 VanDerWaalsContact O-CG 3.26Å; H1093-R1099 WeakPolarHBondContact O-CG 3.47Å; H1093-R1099 PolarHBondContact O-NH1 2.59Å | ||
| 1094 | C | 86.4 | Confident | 89.7 | Confident | 88 Ų | 88 | 28.1 Ų | 28.1 | 60% | 0.595 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -70.1 | -27.2 | -178.5 | 60.6 | 0 | 0 | 0 | 0 | 113.9 | R1099 | C1094-R1099 PolarHBondContact O-NH1 2.77Š|
| 1095 | S | 85.2 | Confident | 89.9 | Confident | 35 Ų | 35 | 27.2 Ų | 27.2 | 25% | 0.245 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -83.2 | 120.3 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 112 | H1093 S1097 L1098 R1099 | H1093-S1095 VanDerWaalsContact C-N 3.35Å; H1093-S1095 PolarHBondContact ND1-N 2.9Å; H1093-S1095 PolarHBondContact O-N 3.36Å; S1095-S1097 VanDerWaalsContact C-N 3.25Å; S1095-S1097 PolarHBondContact O-N 3.16Å; S1095-L1098 PolarHBondContact O-N 2.75Å; S1095-R1099 PolarHBondContact O-N 3.3Å |
| 1096 | S | 85.9 | Confident | 89.8 | Confident | 57 Ų | 57 | 23.7 Ų | 23.7 | 40% | 0.399 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -55 | -38.7 | 176.7 | 167.9 | 0 | 0 | 0 | 0 | 112.2 | L1098 R1099 A1100 E1143 | S1096-L1098 VanDerWaalsContact C-N 3.27Å; S1096-L1098 PolarHBondContact O-N 2.95Å; S1096-R1099 PolarHBondContact O-N 3.17Å; S1096-A1100 PolarHBondContact O-N 2.82Å; S1096-E1143 PolarHBondContact OG-OE2 3.07Å |
| 1097 | S | 86.2 | Confident | 89.8 | Confident | 68 Ų | 68 | 23.6 Ų | 23.6 | 48% | 0.476 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.1 | -34.9 | 177.5 | -45.3 | 0 | 0 | 0 | 0 | 113 | S1095 W1101 | S1095-S1097 VanDerWaalsContact C-N 3.25Å; S1095-S1097 PolarHBondContact O-N 3.16Å; S1097-W1101 VanDerWaalsContact O-CD1 3.31Å; S1097-W1101 PolarHBondContact O-N 2.99Å |
| 1098 | L | 89.6 | Confident | 89.7 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -76.5 | -32.6 | 174.6 | -80.1 | 162.5 | 0 | 0 | 0 | 112.2 | A1050 V1057 F1059 I1062 L1090 H1093 S1095 S1096 W1101 G1102 | A1050-L1098 HydrophobicContact CB-CD1 3.4Å; V1057-L1098 HydrophobicContact CG1-CD1 3.98Å; V1057-L1098 HydrophobicContact CG1-CD2 3.81Å; V1057-L1098 HydrophobicContact CG1-CG 3.92Å; V1057-L1098 HydrophobicContact CG2-CD1 4.45Å; F1059-L1098 HydrophobicContact CD1-CD2 4.29Å; F1059-L1098 HydrophobicContact CE1-CD2 3.71Å; F1059-L1098 HydrophobicContact CE1-CG 4.04Å; I1062-L1098 HydrophobicContact CD1-CD2 3.65Å; L1090-L1098 HydrophobicContact CD2-CB 4.25Å; L1090-L1098 HydrophobicContact CD2-CD2 3.45Å; L1090-L1098 VanDerWaalsContact CD2-CD2 3.45Å; L1090-L1098 HydrophobicContact CD2-CG 4.43Å; H1093-L1098 HydrophobicContact CB-CB 4.12Å; H1093-L1098 VanDerWaalsContact ND1-CD1 3.29Å; H1093-L1098 WeakPolarHBondContact ND1-CD1 3.29Å; S1095-L1098 PolarHBondContact O-N 2.75Å; S1096-L1098 VanDerWaalsContact C-N 3.27Å; S1096-L1098 PolarHBondContact O-N 2.95Å; L1098-W1101 PolarHBondContact O-N 3.4Å; L1098-G1102 PolarHBondContact O-N 2.92Å |
| 1099 | R | 91.4 | Very high | 89.5 | Confident | 22 Ų | 22 | 25 Ų | 25 | 8% | 0.083 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.2 | -40.6 | 173.7 | -62.7 | -165.9 | -64 | -93 | 2.8 | 112.9 | L1090 C1091 H1093 C1094 S1095 S1096 W1101 G1102 S1103 Y1141 E1143 V1144 | L1090-R1099 WeakPolarHBondContact O-CA 3.38Å; L1090-R1099 WeakPolarHBondContact O-CG 3.28Å; C1091-R1099 WeakPolarHBondContact O-CD 3.44Å; C1091-R1099 WeakPolarHBondContact O-CG 3.37Å; H1093-R1099 WeakPolarHBondContact O-CD 3.5Å; H1093-R1099 VanDerWaalsContact O-CG 3.26Å; H1093-R1099 WeakPolarHBondContact O-CG 3.47Å; H1093-R1099 PolarHBondContact O-NH1 2.59Å; C1094-R1099 PolarHBondContact O-NH1 2.77Å; S1095-R1099 PolarHBondContact O-N 3.3Å; S1096-R1099 PolarHBondContact O-N 3.17Å; R1099-W1101 VanDerWaalsContact C-N 3.28Å; R1099-W1101 PolarHBondContact O-N 3.09Å; R1099-G1102 PolarHBondContact O-N 3.36Å; R1099-G1102 VanDerWaalsContact O-N 3.13Å; R1099-S1103 PolarHBondContact O-N 2.88Å; R1099-S1103 PolarHBondContact O-OG 2.86Å; R1099-Y1141 VanDerWaalsContact CZ-CD1 3.41Å; R1099-Y1141 VanDerWaalsContact CZ-CE1 3.49Å; R1099-E1143 IonicContact CZ-OE1 2.8Å; R1099-E1143 IonicContact NE-OE1 3.93Å; R1099-E1143 PolarHBondContact NE-OE1 3.33Å; R1099-E1143 IonicContact NH2-OE1 2.81Å; R1099-E1143 PolarHBondContact NH2-OE1 3.19Å; R1099-V1144 HydrophobicContact CB-CG2 4.25Å |
| 1100 | A | 89.6 | Confident | 89.4 | Confident | 36 Ų | 36 | 24.1 Ų | 24.1 | 30% | 0.298 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -59.7 | -39.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1096 S1103 F1104 | S1096-A1100 PolarHBondContact O-N 2.82Å; A1100-S1103 PolarHBondContact O-OG 2.9Å; A1100-F1104 WeakPolarHBondContact O-CB 3.47Å; A1100-F1104 PolarHBondContact O-N 2.84Å |
| 1101 | W | 91 | Very high | 89.1 | Confident | 11 Ų | 11 | 26.4 Ų | 26.4 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.1 | -35.9 | 171.9 | -89.6 | 93.7 | 0 | 0 | 0 | 113.7 | P980 I982 V988 F1059 I1062 W1063 S1097 L1098 R1099 F1104 A1105 | P980-W1101 HydrophobicContact CB-CH2 4.07Å; P980-W1101 HydrophobicContact CB-CZ2 4.11Å; P980-W1101 HydrophobicContact CG-CZ2 4.41Å; P980-W1101 WeakPolarHBondContact O-CZ2 3.34Å; I982-W1101 HydrophobicContact CD1-CD2 3.93Å; I982-W1101 HydrophobicContact CD1-CG 3.93Å; I982-W1101 HydrophobicContact CG1-CD2 4.15Å; I982-W1101 HydrophobicContact CG1-CE3 4.49Å; I982-W1101 HydrophobicContact CG1-CH2 4.39Å; I982-W1101 HydrophobicContact CG1-CZ2 4.03Å; V988-W1101 HydrophobicContact CB-CH2 4.39Å; V988-W1101 HydrophobicContact CG1-CH2 3.84Å; V988-W1101 HydrophobicContact CG1-CZ2 4.5Å; V988-W1101 HydrophobicContact CG2-CH2 3.56Å; V988-W1101 HydrophobicContact CG2-CZ3 3.9Å; F1059-W1101 HydrophobicContact CB-CD2 4.37Å; F1059-W1101 HydrophobicContact CB-CZ2 4.04Å; F1059-W1101 HydrophobicContact CD1-CB 4.18Å; F1059-W1101 AromaticContact CD1-CD1 3.18Å; F1059-W1101 AromaticContact CD1-CD2 3.96Å; F1059-W1101 HydrophobicContact CD1-CD2 3.96Å; F1059-W1101 AromaticContact CD1-CE2 3.91Å; F1059-W1101 AromaticContact CD1-CG 3.51Å; F1059-W1101 HydrophobicContact CD1-CG 3.51Å; F1059-W1101 AromaticContact CD1-NE1 3.4Å; F1059-W1101 HydrophobicContact CE1-CB 4.29Å; F1059-W1101 AromaticContact CE1-CD1 3.28Å; F1059-W1101 AromaticContact CE1-CG 3.85Å; F1059-W1101 HydrophobicContact CE1-CG 3.85Å; F1059-W1101 AromaticContact CE1-NE1 3.83Å; F1059-W1101 AromaticContact CG-CD1 3.84Å; F1059-W1101 HydrophobicContact CG-CD2 4.42Å; F1059-W1101 AromaticContact CG-CE2 3.95Å; F1059-W1101 HydrophobicContact CG-CG 4.34Å; F1059-W1101 AromaticContact CG-NE1 3.54Å; I1062-W1101 HydrophobicContact CG2-CB 4.35Å; I1062-W1101 HydrophobicContact CG2-CE3 3.89Å; W1063-W1101 HydrophobicContact CB-CH2 3.8Å; W1063-W1101 HydrophobicContact CB-CZ3 3.78Å; W1063-W1101 HydrophobicContact CG-CH2 4.36Å; S1097-W1101 VanDerWaalsContact O-CD1 3.31Å; S1097-W1101 PolarHBondContact O-N 2.99Å; L1098-W1101 PolarHBondContact O-N 3.4Å; R1099-W1101 VanDerWaalsContact C-N 3.28Å; R1099-W1101 PolarHBondContact O-N 3.09Å; W1101-F1104 HydrophobicContact CE3-CD1 4Å; W1101-F1104 HydrophobicContact CE3-CE1 4.48Å; W1101-F1104 HydrophobicContact CZ3-CD1 4.06Å; W1101-F1104 HydrophobicContact CZ3-CE1 4.08Å; W1101-A1105 WeakPolarHBondContact O-CB 3.45Å; W1101-A1105 PolarHBondContact O-N 2.87Å |
| 1102 | G | 91.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.5 | -46.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1098 R1099 A1105 F1106 | L1098-G1102 PolarHBondContact O-N 2.92Å; R1099-G1102 PolarHBondContact O-N 3.36Å; R1099-G1102 VanDerWaalsContact O-N 3.13Å; G1102-A1105 PolarHBondContact O-N 3.24Å; G1102-F1106 WeakPolarHBondContact O-CB 3.45Å; G1102-F1106 PolarHBondContact O-N 3.17Å |
| 1103 | S | 90.4 | Very high | 88.4 | Confident | 13 Ų | 13 | 25.2 Ų | 25.2 | 9% | 0.091 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -71.6 | -36.4 | -179.9 | 69 | 0 | 0 | 0 | 0 | 112.1 | R1099 A1100 S1107 | R1099-S1103 PolarHBondContact O-N 2.88Å; R1099-S1103 PolarHBondContact O-OG 2.86Å; A1100-S1103 PolarHBondContact O-OG 2.9Å; S1103-S1107 VanDerWaalsContact O-CB 3.23Å; S1103-S1107 WeakPolarHBondContact O-CB 3.49Å; S1103-S1107 PolarHBondContact O-N 2.92Å |
| 1104 | F | 91.9 | Very high | 87.8 | Confident | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.7 | -52 | 166.9 | 168.9 | -101.4 | 0 | 0 | 0 | 111.8 | I982 D986 V988 V1066 A1100 W1101 F1106 S1107 R1108 | I982-F1104 HydrophobicContact CD1-CB 3.62Å; I982-F1104 HydrophobicContact CD1-CD1 4.28Å; I982-F1104 HydrophobicContact CD1-CG 3.91Å; I982-F1104 HydrophobicContact CG1-CB 4.12Å; I982-F1104 HydrophobicContact CG1-CD1 4.01Å; I982-F1104 HydrophobicContact CG1-CD2 4.25Å; I982-F1104 HydrophobicContact CG1-CG 3.83Å; I982-F1104 HydrophobicContact CG2-CD2 3.76Å; I982-F1104 HydrophobicContact CG2-CE2 4.29Å; I982-F1104 HydrophobicContact CG2-CG 4.14Å; D986-F1104 WeakPolarHBondContact O-CE2 3.45Å; V988-F1104 HydrophobicContact CG2-CD1 4.48Å; V988-F1104 HydrophobicContact CG2-CE1 3.51Å; V988-F1104 HydrophobicContact CG2-CZ 3.59Å; V1066-F1104 HydrophobicContact CG1-CE1 4.26Å; A1100-F1104 WeakPolarHBondContact O-CB 3.47Å; A1100-F1104 PolarHBondContact O-N 2.84Å; W1101-F1104 HydrophobicContact CE3-CD1 4Å; W1101-F1104 HydrophobicContact CE3-CE1 4.48Å; W1101-F1104 HydrophobicContact CZ3-CD1 4.06Å; W1101-F1104 HydrophobicContact CZ3-CE1 4.08Å; F1104-F1106 PolarHBondContact O-N 2.91Å; F1104-S1107 PolarHBondContact O-N 3.23Å; F1104-S1107 VanDerWaalsContact O-N 3.12Å; F1104-R1108 HydrophobicContact CE1-CB 4.43Å; F1104-R1108 HydrophobicContact CE2-CB 4.08Å; F1104-R1108 HydrophobicContact CE2-CG 4.39Å; F1104-R1108 HydrophobicContact CZ-CB 3.99Å; F1104-R1108 HydrophobicContact CZ-CG 3.97Å; F1104-R1108 VanDerWaalsContact O-CB 3.28Å; F1104-R1108 WeakPolarHBondContact O-CB 3.47Å; F1104-R1108 PolarHBondContact O-N 3.48Å |
| 1105 | A | 90.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -54 | -52.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1066 V1087 W1101 G1102 S1107 I1109 | V1066-A1105 HydrophobicContact CG2-CB 3.29Å; V1087-A1105 HydrophobicContact CG2-CB 4.31Å; W1101-A1105 WeakPolarHBondContact O-CB 3.45Å; W1101-A1105 PolarHBondContact O-N 2.87Å; G1102-A1105 PolarHBondContact O-N 3.24Å; A1105-S1107 PolarHBondContact O-N 3.11Å; A1105-I1109 WeakPolarHBondContact O-CB 3.43Å; A1105-I1109 WeakPolarHBondContact O-CD1 3.31Å; A1105-I1109 WeakPolarHBondContact O-CG1 3.25Å; A1105-I1109 PolarHBondContact O-N 3.02Å; A1105-I1109 VanDerWaalsContact O-N 3.08Å |
| 1106 | F | 89.6 | Confident | 86.9 | Confident | 5 Ų | 5 | 23.7 Ų | 23.7 | 2% | 0.022 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.8 | -49.4 | 174.6 | 162.4 | -104.8 | 0 | 0 | 0 | 112.2 | V1087 G1102 F1104 I1109 L1110 L1132 L1133 L1136 C1151 | V1087-F1106 HydrophobicContact CG1-CB 3.81Å; G1102-F1106 WeakPolarHBondContact O-CB 3.45Å; G1102-F1106 PolarHBondContact O-N 3.17Å; F1104-F1106 PolarHBondContact O-N 2.91Å; F1106-I1109 PolarHBondContact O-N 3.49Å; F1106-L1110 HydrophobicContact CE2-CB 4.2Å; F1106-L1110 HydrophobicContact CE2-CD1 3.83Å; F1106-L1110 HydrophobicContact CZ-CB 4.31Å; F1106-L1110 HydrophobicContact CZ-CD1 3.59Å; F1106-L1110 WeakPolarHBondContact O-CB 3.4Å; F1106-L1110 PolarHBondContact O-N 3.22Å; F1106-L1132 HydrophobicContact CD2-CD2 3.82Å; F1106-L1132 HydrophobicContact CD2-CG 3.98Å; F1106-L1132 HydrophobicContact CE2-CD2 4.44Å; F1106-L1132 HydrophobicContact CE2-CG 4.33Å; F1106-L1133 HydrophobicContact CE1-CD2 4.23Å; F1106-L1133 HydrophobicContact CE2-CD2 4.29Å; F1106-L1133 HydrophobicContact CE2-CG 4.02Å; F1106-L1133 HydrophobicContact CZ-CD2 3.47Å; F1106-L1133 VanDerWaalsContact CZ-CD2 3.47Å; F1106-L1133 HydrophobicContact CZ-CG 3.65Å; F1106-L1136 HydrophobicContact CB-CD1 4.37Å; F1106-L1136 HydrophobicContact CD1-CD1 3.67Å; F1106-L1136 HydrophobicContact CD2-CD1 3.67Å; F1106-L1136 HydrophobicContact CE1-CD1 3.86Å; F1106-L1136 HydrophobicContact CE2-CD1 3.86Å; F1106-L1136 HydrophobicContact CG-CD1 3.58Å; F1106-L1136 HydrophobicContact CZ-CD1 3.96Å; F1106-C1151 HydrophobicContact CE1-CB 3.75Å; F1106-C1151 VanDerWaalsContact CE1-SG 3.55Å; F1106-C1151 HydrophobicContact CZ-CB 3.99Å |
| 1107 | S | 89.7 | Confident | 86 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.3 | -44.1 | -176 | -171.3 | 0 | 0 | 0 | 0 | 112.8 | S1103 F1104 A1105 L1110 R1111 K1147 C1151 | S1103-S1107 VanDerWaalsContact O-CB 3.23Å; S1103-S1107 WeakPolarHBondContact O-CB 3.49Å; S1103-S1107 PolarHBondContact O-N 2.92Å; F1104-S1107 PolarHBondContact O-N 3.23Å; F1104-S1107 VanDerWaalsContact O-N 3.12Å; A1105-S1107 PolarHBondContact O-N 3.11Å; S1107-L1110 PolarHBondContact O-N 3.07Å; S1107-R1111 VanDerWaalsContact O-CB 3.27Å; S1107-R1111 WeakPolarHBondContact O-CB 3.29Å; S1107-R1111 VanDerWaalsContact O-CG 3.28Å; S1107-R1111 WeakPolarHBondContact O-CG 3.26Å; S1107-R1111 PolarHBondContact O-N 3.4Å; S1107-K1147 WeakPolarHBondContact OG-CE 3.15Å; S1107-C1151 VanDerWaalsContact CA-SG 3.59Å; S1107-C1151 VanDerWaalsContact CB-SG 3.55Å; S1107-C1151 PolarHBondContact OG-SG 2.85Å |
| 1108 | R | 90.1 | Very high | 84.9 | Confident | 71 Ų | 71 | 26.8 Ų | 26.8 | 27% | 0.268 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 177.9 | 179.6 | 67.6 | 177.5 | 127.5 | 7.2 | 111.5 | V1066 E1067 V1070 F1104 T1112 | V1066-R1108 HydrophobicContact CG1-CB 4.08Å; V1066-R1108 HydrophobicContact CG1-CG 3.73Å; E1067-R1108 IonicContact OE1-CZ 2.9Å; E1067-R1108 IonicContact OE1-NE 3.25Å; E1067-R1108 PolarHBondContact OE1-NE 2.88Å; E1067-R1108 VanDerWaalsContact OE1-NE 3.08Å; E1067-R1108 IonicContact OE1-NH2 3.57Å; E1067-R1108 IonicContact OE2-CZ 3.75Å; E1067-R1108 IonicContact OE2-NE 3.87Å; E1067-R1108 IonicContact OE2-NH2 3.69Å; E1067-R1108 PolarHBondContact OE2-NH2 3.28Å; V1070-R1108 HydrophobicContact CG2-CG 4.1Å; F1104-R1108 HydrophobicContact CE1-CB 4.43Å; F1104-R1108 HydrophobicContact CE2-CB 4.08Å; F1104-R1108 HydrophobicContact CE2-CG 4.39Å; F1104-R1108 HydrophobicContact CZ-CB 3.99Å; F1104-R1108 HydrophobicContact CZ-CG 3.97Å; F1104-R1108 VanDerWaalsContact O-CB 3.28Å; F1104-R1108 WeakPolarHBondContact O-CB 3.47Å; F1104-R1108 PolarHBondContact O-N 3.48Å; R1108-T1112 PolarHBondContact NH1-OG1 3.44Å; R1108-T1112 WeakPolarHBondContact O-CB 3.45Å; R1108-T1112 PolarHBondContact O-N 2.8Å; R1108-T1112 PolarHBondContact O-OG1 2.9Å |
| 1109 | I | 87.4 | Confident | 83.6 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.2 | -53.3 | 175.4 | -68.3 | 167.2 | 0 | 0 | 0 | 110.6 | V1066 T1069 V1070 L1073 W1080 V1083 A1105 F1106 T1112 A1113 | V1066-I1109 HydrophobicContact CG1-CG1 4.44Å; T1069-I1109 HydrophobicContact CG2-CD1 4.12Å; T1069-I1109 HydrophobicContact CG2-CG1 4.31Å; T1069-I1109 HydrophobicContact CG2-CG2 4.41Å; V1070-I1109 HydrophobicContact CG2-CG1 3.9Å; L1073-I1109 HydrophobicContact CD2-CG2 4.17Å; W1080-I1109 HydrophobicContact CH2-CG2 3.52Å; W1080-I1109 HydrophobicContact CZ2-CG2 4.34Å; W1080-I1109 HydrophobicContact CZ3-CG2 4.1Å; V1083-I1109 HydrophobicContact CG1-CD1 4.21Å; A1105-I1109 WeakPolarHBondContact O-CB 3.43Å; A1105-I1109 WeakPolarHBondContact O-CD1 3.31Å; A1105-I1109 WeakPolarHBondContact O-CG1 3.25Å; A1105-I1109 PolarHBondContact O-N 3.02Å; A1105-I1109 VanDerWaalsContact O-N 3.08Å; F1106-I1109 PolarHBondContact O-N 3.49Å; I1109-T1112 PolarHBondContact O-N 2.93Å; I1109-A1113 PolarHBondContact O-N 3.18Å |
| 1110 | L | 86.3 | Confident | 82.3 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -47.6 | -178 | -179.4 | 152 | 0 | 0 | 0 | 112 | F1106 S1107 T1112 A1113 V1114 I1129 L1133 C1151 | F1106-L1110 HydrophobicContact CE2-CB 4.2Å; F1106-L1110 HydrophobicContact CE2-CD1 3.83Å; F1106-L1110 HydrophobicContact CZ-CB 4.31Å; F1106-L1110 HydrophobicContact CZ-CD1 3.59Å; F1106-L1110 WeakPolarHBondContact O-CB 3.4Å; F1106-L1110 PolarHBondContact O-N 3.22Å; S1107-L1110 PolarHBondContact O-N 3.07Å; L1110-T1112 VanDerWaalsContact C-N 3.28Å; L1110-T1112 PolarHBondContact O-N 3.47Å; L1110-A1113 PolarHBondContact O-N 3.04Å; L1110-V1114 HydrophobicContact CD2-CG2 3.81Å; L1110-V1114 HydrophobicContact CG-CG2 4.12Å; L1110-V1114 WeakPolarHBondContact O-CB 3.49Å; L1110-V1114 WeakPolarHBondContact O-CG2 3.22Å; L1110-V1114 PolarHBondContact O-N 2.89Å; L1110-I1129 HydrophobicContact CD1-CG2 3.72Å; L1110-I1129 HydrophobicContact CG-CG2 4.09Å; L1110-L1133 HydrophobicContact CD1-CD1 3.57Å; L1110-L1133 HydrophobicContact CD1-CD2 4.44Å; L1110-L1133 HydrophobicContact CD1-CG 3.83Å; L1110-C1151 HydrophobicContact CD1-CB 4.16Å; L1110-C1151 HydrophobicContact CD2-CB 3.96Å |
| 1111 | R | 87.4 | Confident | 81.2 | Confident | 50 Ų | 50 | 32.6 Ų | 32.6 | 19% | 0.189 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.1 | -38.5 | -178.8 | -74.8 | -178.5 | 165.2 | 169.4 | 0.6 | 112 | D986 S1107 G1115 D1150 Y1154 | D986-R1111 IonicContact OD2-CZ 2.63Å; D986-R1111 IonicContact OD2-NH1 3.79Å; D986-R1111 PolarHBondContact OD2-NH1 2.9Å; S1107-R1111 VanDerWaalsContact O-CB 3.27Å; S1107-R1111 WeakPolarHBondContact O-CB 3.29Å; S1107-R1111 VanDerWaalsContact O-CG 3.28Å; S1107-R1111 WeakPolarHBondContact O-CG 3.26Å; S1107-R1111 PolarHBondContact O-N 3.4Å; R1111-G1115 PolarHBondContact O-N 3.38Å; R1111-D1150 IonicContact CZ-OD2 2.8Å; R1111-D1150 IonicContact NH1-OD2 3.12Å; R1111-D1150 PolarHBondContact NH2-O 3.31Å; R1111-D1150 IonicContact NH2-OD1 3.66Å; R1111-D1150 PolarHBondContact NH2-OD1 3.28Å; R1111-D1150 IonicContact NH2-OD2 2.65Å; R1111-D1150 PolarHBondContact NH2-OD2 3.26Å; R1111-Y1154 HydrophobicContact CB-CD1 4.31Å; R1111-Y1154 HydrophobicContact CB-CE1 4.03Å; R1111-Y1154 HydrophobicContact CG-CD1 3.79Å; R1111-Y1154 HydrophobicContact CG-CD2 4.04Å; R1111-Y1154 HydrophobicContact CG-CE1 3.99Å; R1111-Y1154 HydrophobicContact CG-CE2 4.25Å; R1111-Y1154 HydrophobicContact CG-CG 3.81Å |
| 1112 | T | 85.2 | Confident | 80.3 | Confident | 36 Ų | 36 | 35 Ų | 35 | 22% | 0.221 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.9 | -39.5 | 177.2 | -43.9 | 0 | 0 | 0 | 0 | 111.5 | V1070 R1108 I1109 L1110 G1115 M1116 | V1070-T1112 HydrophobicContact CG1-CG2 3.73Å; R1108-T1112 PolarHBondContact NH1-OG1 3.44Å; R1108-T1112 WeakPolarHBondContact O-CB 3.45Å; R1108-T1112 PolarHBondContact O-N 2.8Å; R1108-T1112 PolarHBondContact O-OG1 2.9Å; I1109-T1112 PolarHBondContact O-N 2.93Å; L1110-T1112 VanDerWaalsContact C-N 3.28Å; L1110-T1112 PolarHBondContact O-N 3.47Å; T1112-G1115 PolarHBondContact O-N 2.86Å; T1112-M1116 VanDerWaalsContact O-CG 3.26Å; T1112-M1116 WeakPolarHBondContact O-CG 3.45Å; T1112-M1116 PolarHBondContact O-N 2.97Å |
| 1113 | A | 80.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -52.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1073 I1109 L1110 G1115 M1116 I1119 I1129 | L1073-A1113 HydrophobicContact CD1-CB 3.85Å; I1109-A1113 PolarHBondContact O-N 3.18Å; L1110-A1113 PolarHBondContact O-N 3.04Å; A1113-G1115 PolarHBondContact O-N 2.95Å; A1113-M1116 PolarHBondContact O-N 2.84Å; A1113-M1116 VanDerWaalsContact O-N 3.09Å; A1113-I1119 HydrophobicContact CB-CG2 4.24Å; A1113-I1119 WeakPolarHBondContact O-CG2 3.25Å; A1113-I1129 HydrophobicContact CB-CD1 3.71Å |
| 1114 | V | 78.1 | Confident | 78.7 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.5 | -26.8 | -179.3 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | L1110 M1116 Y1154 L1155 T1158 | L1110-V1114 HydrophobicContact CD2-CG2 3.81Å; L1110-V1114 HydrophobicContact CG-CG2 4.12Å; L1110-V1114 WeakPolarHBondContact O-CB 3.49Å; L1110-V1114 WeakPolarHBondContact O-CG2 3.22Å; L1110-V1114 PolarHBondContact O-N 2.89Å; V1114-M1116 VanDerWaalsContact C-N 3.29Å; V1114-M1116 PolarHBondContact O-N 3.05Å; V1114-Y1154 HydrophobicContact CB-CD1 4.35Å; V1114-Y1154 HydrophobicContact CB-CE1 4.14Å; V1114-Y1154 HydrophobicContact CG1-CD1 4.18Å; V1114-Y1154 HydrophobicContact CG1-CE1 4.09Å; V1114-L1155 HydrophobicContact CG1-CD1 3.81Å; V1114-L1155 HydrophobicContact CG2-CD1 3.92Å; V1114-T1158 HydrophobicContact CG1-CG2 3.98Å; V1114-T1158 VanDerWaalsContact CG1-OG1 3.28Å; V1114-T1158 WeakPolarHBondContact CG1-OG1 3.48Å |
| 1115 | G | 76.6 | Confident | 77.8 | Confident | 48 Ų | 48 | 40.9 Ų | 40.9 | 50% | 0.495 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 5.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R1111 T1112 A1113 | R1111-G1115 PolarHBondContact O-N 3.38Å; T1112-G1115 PolarHBondContact O-N 2.86Å; A1113-G1115 PolarHBondContact O-N 2.95Å |
| 1116 | M | 75.9 | Confident | 77.3 | Confident | 55 Ų | 55 | 41.8 Ų | 41.8 | 27% | 0.271 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -108 | 124.8 | 177.3 | -71.8 | 169.6 | 92.3 | 0 | 0 | 110.9 | L1073 R1074 T1112 A1113 V1114 G1118 I1119 | L1073-M1116 HydrophobicContact CB-SD 4.46Å; L1073-M1116 HydrophobicContact CD1-SD 4.33Å; R1074-M1116 HydrophobicContact CG-CE 3.87Å; T1112-M1116 VanDerWaalsContact O-CG 3.26Å; T1112-M1116 WeakPolarHBondContact O-CG 3.45Å; T1112-M1116 PolarHBondContact O-N 2.97Å; A1113-M1116 PolarHBondContact O-N 2.84Å; A1113-M1116 VanDerWaalsContact O-N 3.09Å; V1114-M1116 VanDerWaalsContact C-N 3.29Å; V1114-M1116 PolarHBondContact O-N 3.05Å; M1116-G1118 PolarHBondContact O-N 3.37Å; M1116-I1119 HydrophobicContact CB-CB 4.4Å; M1116-I1119 HydrophobicContact CB-CD1 3.93Å; M1116-I1119 HydrophobicContact CB-CG1 4.36Å; M1116-I1119 HydrophobicContact CE-CD1 4.5Å; M1116-I1119 PolarHBondContact O-N 3.29Å; M1116-I1119 HydrophobicContact SD-CD1 3.82Å |
| 1117 | D | 66.4 | Low | 76.8 | Confident | 142 Ų | 142 | 49.1 Ų | 49.1 | 76% | 0.759 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 137.6 | -178.9 | -48.9 | -43.2 | 0 | 0 | 0 | 112.4 | R1074 I1119 | R1074-D1117 PolarHBondContact NH2-O 2.76Å; D1117-I1119 PolarHBondContact O-N 2.69Å |
| 1118 | G | 63.3 | Low | 76.3 | Confident | 48 Ų | 48 | 50.5 Ų | 50.5 | 50% | 0.495 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | -1.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | M1116 L1120 D1121 | M1116-G1118 PolarHBondContact O-N 3.37Å; G1118-L1120 PolarHBondContact O-N 3.16Å; G1118-D1121 WeakPolarHBondContact CA-OD2 3.2Å; G1118-D1121 WeakPolarHBondContact O-CB 3.29Å; G1118-D1121 PolarHBondContact O-N 3.07Å; G1118-D1121 VanDerWaalsContact O-N 3.14Å |
| 1119 | I | 62.6 | Low | 75.8 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 5% | 0.046 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -66.5 | -27.7 | -179.6 | -104.8 | -176.9 | 0 | 0 | 0 | 112.6 | L1073 R1074 A1113 M1116 D1117 D1121 D1122 L1125 | L1073-I1119 HydrophobicContact CB-CD1 4.43Å; R1074-I1119 HydrophobicContact CG-CD1 3.7Å; R1074-I1119 HydrophobicContact CG-CG1 4.05Å; A1113-I1119 HydrophobicContact CB-CG2 4.24Å; A1113-I1119 WeakPolarHBondContact O-CG2 3.25Å; M1116-I1119 HydrophobicContact CB-CB 4.4Å; M1116-I1119 HydrophobicContact CB-CD1 3.93Å; M1116-I1119 HydrophobicContact CB-CG1 4.36Å; M1116-I1119 HydrophobicContact CE-CD1 4.5Å; M1116-I1119 PolarHBondContact O-N 3.29Å; M1116-I1119 HydrophobicContact SD-CD1 3.82Å; D1117-I1119 PolarHBondContact O-N 2.69Å; I1119-D1121 VanDerWaalsContact C-N 3.28Å; I1119-D1121 PolarHBondContact O-N 2.71Å; I1119-D1122 PolarHBondContact O-N 3.25Å; I1119-L1125 HydrophobicContact CB-CD2 4.01Å; I1119-L1125 HydrophobicContact CD1-CD2 3.66Å; I1119-L1125 HydrophobicContact CG1-CD2 3.5Å; I1119-L1125 HydrophobicContact CG2-CD2 3.61Å; I1119-L1125 HydrophobicContact CG2-CG 4.41Å |
| 1120 | L | 63.6 | Low | 75.7 | Confident | 55 Ų | 55 | 47.8 Ų | 47.8 | 29% | 0.288 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -77.3 | -10.3 | 176.7 | -68.2 | 177.7 | 0 | 0 | 0 | 113.5 | G1118 R1126 L1155 H1164 | G1118-L1120 PolarHBondContact O-N 3.16Å; L1120-R1126 VanDerWaalsContact O-CZ 3.22Å; L1120-R1126 PolarHBondContact O-NE 3.4Å; L1120-R1126 PolarHBondContact O-NH2 2.97Å; L1120-L1155 HydrophobicContact CD1-CD1 3.96Å; L1120-L1155 HydrophobicContact CD2-CD1 4.44Å; L1120-H1164 PolarHBondContact O-NE2 3Å |
| 1121 | D | 66.3 | Low | 75.6 | Confident | 116 Ų | 116 | 53.9 Ų | 53.9 | 62% | 0.62 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -77.1 | -25.2 | 172.4 | -64.6 | -59.1 | 0 | 0 | 0 | 112.3 | G1118 I1119 A1123 R1126 | G1118-D1121 WeakPolarHBondContact CA-OD2 3.2Å; G1118-D1121 WeakPolarHBondContact O-CB 3.29Å; G1118-D1121 PolarHBondContact O-N 3.07Å; G1118-D1121 VanDerWaalsContact O-N 3.14Å; I1119-D1121 VanDerWaalsContact C-N 3.28Å; I1119-D1121 PolarHBondContact O-N 2.71Å; D1121-A1123 PolarHBondContact O-N 3.03Å; D1121-R1126 PolarHBondContact O-NH2 3.17Å |
| 1122 | D | 72.3 | Confident | 75.4 | Confident | 62 Ų | 62 | 51.7 Ų | 51.7 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | trans | -71.2 | 110.1 | 175.4 | -177.9 | -31.1 | 0 | 0 | 0 | 111.2 | I1119 V1124 L1125 R1126 | I1119-D1122 PolarHBondContact O-N 3.25Å; D1122-V1124 VanDerWaalsContact C-N 3.33Å; D1122-V1124 PolarHBondContact O-N 3.05Å; D1122-V1124 WeakPolarHBondContact OD1-CA 3.32Å; D1122-V1124 WeakPolarHBondContact OD1-CB 3.35Å; D1122-V1124 PolarHBondContact OD1-N 3.34Å; D1122-L1125 HydrophobicContact CB-CB 3.94Å; D1122-L1125 PolarHBondContact OD1-N 3.43Å; D1122-R1126 WeakPolarHBondContact O-CB 3.3Å; D1122-R1126 PolarHBondContact O-N 3.2Å | ||
| 1123 | A | 74.3 | Confident | 75.5 | Confident | 56 Ų | 56 | 50 Ų | 50 | 46% | 0.463 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.8 | -26.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1121 K1127 | D1121-A1123 PolarHBondContact O-N 3.03Å; A1123-K1127 WeakPolarHBondContact O-CB 3.42Å; A1123-K1127 PolarHBondContact O-N 3.02Å |
| 1124 | V | 74.4 | Confident | 75.8 | Confident | 74 Ų | 74 | 51 Ų | 51 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -76.1 | -48.2 | 178.3 | -179 | 0 | 0 | 0 | 0 | 109.3 | D1077 D1122 S1128 | D1077-V1124 HydrophobicContact CB-CG1 4.24Å; D1122-V1124 VanDerWaalsContact C-N 3.33Å; D1122-V1124 PolarHBondContact O-N 3.05Å; D1122-V1124 WeakPolarHBondContact OD1-CA 3.32Å; D1122-V1124 WeakPolarHBondContact OD1-CB 3.35Å; D1122-V1124 PolarHBondContact OD1-N 3.34Å; V1124-S1128 WeakPolarHBondContact O-CB 3.38Å; V1124-S1128 PolarHBondContact O-N 2.8Å; V1124-S1128 PolarHBondContact O-OG 3.49Å |
| 1125 | L | 73.8 | Confident | 76.2 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.3 | -48.9 | 178.7 | -178.6 | 58.6 | 0 | 0 | 0 | 111.9 | W1080 I1119 D1122 K1127 S1128 I1129 | W1080-L1125 HydrophobicContact CZ2-CD1 3.64Å; I1119-L1125 HydrophobicContact CB-CD2 4.01Å; I1119-L1125 HydrophobicContact CD1-CD2 3.66Å; I1119-L1125 HydrophobicContact CG1-CD2 3.5Å; I1119-L1125 HydrophobicContact CG2-CD2 3.61Å; I1119-L1125 HydrophobicContact CG2-CG 4.41Å; D1122-L1125 HydrophobicContact CB-CB 3.94Å; D1122-L1125 PolarHBondContact OD1-N 3.43Å; L1125-K1127 VanDerWaalsContact C-N 3.31Å; L1125-K1127 PolarHBondContact O-N 2.95Å; L1125-S1128 PolarHBondContact O-N 2.89Å; L1125-I1129 HydrophobicContact CD1-CD1 3.83Å; L1125-I1129 HydrophobicContact CD1-CG1 4.12Å; L1125-I1129 HydrophobicContact CG-CD1 3.87Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.36Å; L1125-I1129 PolarHBondContact O-N 3.02Å |
| 1126 | R | 79.1 | Confident | 76.8 | Confident | 20 Ų | 20 | 50.3 Ų | 50.3 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -52.5 | -48 | 175.1 | -176.3 | -156.3 | -59.3 | 140.2 | 4.2 | 111.5 | L1120 D1121 D1122 M1130 H1164 E1166 L1167 | L1120-R1126 VanDerWaalsContact O-CZ 3.22Å; L1120-R1126 PolarHBondContact O-NE 3.4Å; L1120-R1126 PolarHBondContact O-NH2 2.97Å; D1121-R1126 PolarHBondContact O-NH2 3.17Å; D1122-R1126 WeakPolarHBondContact O-CB 3.3Å; D1122-R1126 PolarHBondContact O-N 3.2Å; R1126-M1130 WeakPolarHBondContact O-CB 3.37Å; R1126-M1130 WeakPolarHBondContact O-CG 3.25Å; R1126-M1130 PolarHBondContact O-N 2.85Å; R1126-H1164 PolarHBondContact NE-CD2 3.16Å; R1126-H1164 VanDerWaalsContact NE-CD2 3.31Å; R1126-H1164 PolarHBondContact NH2-NE2 3.37Å; R1126-H1164 VanDerWaalsContact NH2-NE2 3.13Å; R1126-E1166 WeakPolarHBondContact CD-OE1 3.1Å; R1126-E1166 IonicContact CZ-OE1 3.24Å; R1126-E1166 IonicContact NE-OE1 3.41Å; R1126-E1166 IonicContact NH1-OE1 3.32Å; R1126-E1166 PolarHBondContact NH1-OE1 3.43Å; R1126-L1167 HydrophobicContact CG-CD1 3.92Å; R1126-L1167 HydrophobicContact CG-CD2 3.48Å; R1126-L1167 VanDerWaalsContact CG-CD2 3.48Å; R1126-L1167 HydrophobicContact CG-CG 4.26Å |
| 1127 | K | 79.2 | Confident | 77.3 | Confident | 158 Ų | 158 | 48.6 Ų | 48.6 | 69% | 0.687 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -66.7 | -34.6 | 177.6 | -175.2 | 172.4 | -176.3 | 172.5 | 0 | 112.8 | A1123 L1125 K1131 | A1123-K1127 WeakPolarHBondContact O-CB 3.42Å; A1123-K1127 PolarHBondContact O-N 3.02Å; L1125-K1127 VanDerWaalsContact C-N 3.31Å; L1125-K1127 PolarHBondContact O-N 2.95Å; K1127-K1131 VanDerWaalsContact O-CB 3.24Å; K1127-K1131 WeakPolarHBondContact O-CB 3.41Å; K1127-K1131 PolarHBondContact O-N 2.96Å |
| 1128 | S | 80.7 | Confident | 78.2 | Confident | 30 Ų | 30 | 47.7 Ų | 47.7 | 21% | 0.21 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.3 | -44.6 | 179.5 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | V1124 L1125 K1131 L1132 | V1124-S1128 WeakPolarHBondContact O-CB 3.38Å; V1124-S1128 PolarHBondContact O-N 2.8Å; V1124-S1128 PolarHBondContact O-OG 3.49Å; L1125-S1128 PolarHBondContact O-N 2.89Å; S1128-K1131 PolarHBondContact O-N 3.33Å; S1128-L1132 PolarHBondContact O-N 3.3Å |
| 1129 | I | 79.1 | Confident | 79.3 | Confident | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 174 | -66.5 | 169.7 | 0 | 0 | 0 | 110.4 | W1080 L1110 A1113 L1125 K1131 L1132 L1133 | W1080-I1129 HydrophobicContact CH2-CD1 4.49Å; W1080-I1129 HydrophobicContact CH2-CG1 3.64Å; W1080-I1129 HydrophobicContact CZ2-CD1 4.2Å; W1080-I1129 HydrophobicContact CZ2-CG1 3.58Å; W1080-I1129 HydrophobicContact CZ3-CG1 4.46Å; L1110-I1129 HydrophobicContact CD1-CG2 3.72Å; L1110-I1129 HydrophobicContact CG-CG2 4.09Å; A1113-I1129 HydrophobicContact CB-CD1 3.71Å; L1125-I1129 HydrophobicContact CD1-CD1 3.83Å; L1125-I1129 HydrophobicContact CD1-CG1 4.12Å; L1125-I1129 HydrophobicContact CG-CD1 3.87Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.36Å; L1125-I1129 PolarHBondContact O-N 3.02Å; I1129-K1131 VanDerWaalsContact C-N 3.31Å; I1129-K1131 PolarHBondContact O-N 3.24Å; I1129-L1132 PolarHBondContact O-N 3.2Å; I1129-L1133 WeakPolarHBondContact O-CB 3.34Å; I1129-L1133 PolarHBondContact O-N 2.92Å |
| 1130 | M | 84.3 | Confident | 80.3 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 5% | 0.054 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.9 | -28.7 | 179.4 | -70.5 | -49.7 | -62.6 | 0 | 0 | 113.4 | R1126 L1133 S1134 L1155 L1167 I1171 | R1126-M1130 WeakPolarHBondContact O-CB 3.37Å; R1126-M1130 WeakPolarHBondContact O-CG 3.25Å; R1126-M1130 PolarHBondContact O-N 2.85Å; M1130-L1133 HydrophobicContact CE-CD1 3.99Å; M1130-L1133 HydrophobicContact SD-CD1 3.58Å; M1130-L1133 VanDerWaalsContact SD-CD1 3.58Å; M1130-S1134 WeakPolarHBondContact O-CB 3.14Å; M1130-S1134 PolarHBondContact O-N 2.86Å; M1130-L1155 HydrophobicContact SD-CD2 4.19Å; M1130-L1167 HydrophobicContact CB-CD2 4.42Å; M1130-L1167 HydrophobicContact CG-CD2 3.54Å; M1130-L1167 HydrophobicContact CG-CG 4.49Å; M1130-I1171 HydrophobicContact CE-CG1 3.85Å |
| 1131 | K | 84.1 | Confident | 81.4 | Confident | 130 Ų | 130 | 50.9 Ų | 50.9 | 57% | 0.565 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.1 | -52.1 | 170.2 | 178.9 | 171 | 175.5 | 178.1 | 0 | 110.9 | K1127 S1128 I1129 L1133 S1134 D1135 | K1127-K1131 VanDerWaalsContact O-CB 3.24Å; K1127-K1131 WeakPolarHBondContact O-CB 3.41Å; K1127-K1131 PolarHBondContact O-N 2.96Å; S1128-K1131 PolarHBondContact O-N 3.33Å; I1129-K1131 VanDerWaalsContact C-N 3.31Å; I1129-K1131 PolarHBondContact O-N 3.24Å; K1131-L1133 VanDerWaalsContact C-N 3.26Å; K1131-L1133 PolarHBondContact O-N 3.4Å; K1131-S1134 WeakPolarHBondContact O-CA 3.45Å; K1131-S1134 WeakPolarHBondContact O-CB 3.49Å; K1131-S1134 PolarHBondContact O-N 3.12Å; K1131-D1135 WeakPolarHBondContact CE-OD2 3.48Å; K1131-D1135 WeakPolarHBondContact CG-OD2 3.5Å; K1131-D1135 IonicContact NZ-OD2 2.75Å; K1131-D1135 WeakPolarHBondContact O-CB 3.24Å; K1131-D1135 VanDerWaalsContact O-CG 3.23Å; K1131-D1135 PolarHBondContact O-N 3.4Å |
| 1132 | L | 84.8 | Confident | 82.1 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58 | -40.7 | 177.6 | 179.6 | 59.1 | 0 | 0 | 0 | 111.5 | W1080 L1088 F1106 S1128 I1129 S1134 D1135 L1136 | W1080-L1132 HydrophobicContact CE3-CD2 4.29Å; W1080-L1132 HydrophobicContact CZ3-CD2 3.79Å; L1088-L1132 HydrophobicContact CD1-CD1 4.18Å; L1088-L1132 HydrophobicContact CD2-CD1 3.81Å; L1088-L1132 HydrophobicContact CG-CD1 3.7Å; F1106-L1132 HydrophobicContact CD2-CD2 3.82Å; F1106-L1132 HydrophobicContact CD2-CG 3.98Å; F1106-L1132 HydrophobicContact CE2-CD2 4.44Å; F1106-L1132 HydrophobicContact CE2-CG 4.33Å; S1128-L1132 PolarHBondContact O-N 3.3Å; I1129-L1132 PolarHBondContact O-N 3.2Å; L1132-S1134 PolarHBondContact O-N 2.98Å; L1132-D1135 PolarHBondContact O-N 3.47Å; L1132-L1136 VanDerWaalsContact O-CG 3.3Å; L1132-L1136 WeakPolarHBondContact O-CG 3.4Å; L1132-L1136 PolarHBondContact O-N 2.93Å; L1132-L1136 VanDerWaalsContact O-N 3.15Å |
| 1133 | L | 86.1 | Confident | 82.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.3 | -43 | 171.7 | -106 | 176.3 | 0 | 0 | 0 | 112.9 | F1106 L1110 I1129 M1130 K1131 Q1148 V1152 I1174 | F1106-L1133 HydrophobicContact CE1-CD2 4.23Å; F1106-L1133 HydrophobicContact CE2-CD2 4.29Å; F1106-L1133 HydrophobicContact CE2-CG 4.02Å; F1106-L1133 HydrophobicContact CZ-CD2 3.47Å; F1106-L1133 VanDerWaalsContact CZ-CD2 3.47Å; F1106-L1133 HydrophobicContact CZ-CG 3.65Å; L1110-L1133 HydrophobicContact CD1-CD1 3.57Å; L1110-L1133 HydrophobicContact CD1-CD2 4.44Å; L1110-L1133 HydrophobicContact CD1-CG 3.83Å; I1129-L1133 WeakPolarHBondContact O-CB 3.34Å; I1129-L1133 PolarHBondContact O-N 2.92Å; M1130-L1133 HydrophobicContact CE-CD1 3.99Å; M1130-L1133 HydrophobicContact SD-CD1 3.58Å; M1130-L1133 VanDerWaalsContact SD-CD1 3.58Å; K1131-L1133 VanDerWaalsContact C-N 3.26Å; K1131-L1133 PolarHBondContact O-N 3.4Å; L1133-Q1148 HydrophobicContact CD2-CG 3.8Å; L1133-Q1148 PolarHBondContact O-NE2 3.09Å; L1133-V1152 HydrophobicContact CD1-CG2 4.46Å; L1133-V1152 HydrophobicContact CD2-CG2 3.99Å; L1133-I1174 HydrophobicContact CB-CD1 3.82Å; L1133-I1174 HydrophobicContact CD2-CD1 4.11Å; L1133-I1174 HydrophobicContact CG-CD1 4.42Å; L1133-I1174 WeakPolarHBondContact O-CD1 3.17Å |
| 1134 | S | 86.9 | Confident | 83.3 | Confident | 20 Ų | 20 | 44.9 Ų | 44.9 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70 | -43.2 | 178.2 | 164.3 | 0 | 0 | 0 | 0 | 112.5 | M1130 K1131 L1132 L1136 T1137 K1173 | M1130-S1134 WeakPolarHBondContact O-CB 3.14Å; M1130-S1134 PolarHBondContact O-N 2.86Å; K1131-S1134 WeakPolarHBondContact O-CA 3.45Å; K1131-S1134 WeakPolarHBondContact O-CB 3.49Å; K1131-S1134 PolarHBondContact O-N 3.12Å; L1132-S1134 PolarHBondContact O-N 2.98Å; S1134-L1136 VanDerWaalsContact C-N 3.26Å; S1134-L1136 PolarHBondContact O-N 3.23Å; S1134-T1137 WeakPolarHBondContact O-CB 3.27Å; S1134-T1137 PolarHBondContact O-N 3.22Å; S1134-T1137 VanDerWaalsContact O-N 3.08Å; S1134-T1137 PolarHBondContact O-OG1 3.49Å; S1134-K1173 PolarHBondContact O-NZ 3.42Å; S1134-K1173 PolarHBondContact OG-NZ 2.79Å |
| 1135 | D | 86.4 | Confident | 84 | Confident | 50 Ų | 50 | 43 Ų | 43 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.3 | -26 | -175.4 | -65.2 | 0.7 | 0 | 0 | 0 | 111.3 | L1088 K1131 L1132 T1137 D1138 | L1088-D1135 HydrophobicContact CD1-CB 4.16Å; L1088-D1135 HydrophobicContact CD2-CB 4.16Å; K1131-D1135 WeakPolarHBondContact CE-OD2 3.48Å; K1131-D1135 WeakPolarHBondContact CG-OD2 3.5Å; K1131-D1135 IonicContact NZ-OD2 2.75Å; K1131-D1135 WeakPolarHBondContact O-CB 3.24Å; K1131-D1135 VanDerWaalsContact O-CG 3.23Å; K1131-D1135 PolarHBondContact O-N 3.4Å; L1132-D1135 PolarHBondContact O-N 3.47Å; D1135-T1137 PolarHBondContact O-N 3.12Å; D1135-D1138 PolarHBondContact O-N 2.93Å |
| 1136 | L | 88.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -63.9 | -17.3 | 170.2 | -76.8 | 169.1 | 0 | 0 | 0 | 114.2 | L1088 C1091 F1106 L1132 S1134 D1138 V1139 V1144 H1145 Q1148 | L1088-L1136 HydrophobicContact CD2-CD2 3.82Å; L1088-L1136 HydrophobicContact CD2-CG 4.01Å; C1091-L1136 HydrophobicContact CB-CD2 3.79Å; F1106-L1136 HydrophobicContact CB-CD1 4.37Å; F1106-L1136 HydrophobicContact CD1-CD1 3.67Å; F1106-L1136 HydrophobicContact CD2-CD1 3.67Å; F1106-L1136 HydrophobicContact CE1-CD1 3.86Å; F1106-L1136 HydrophobicContact CE2-CD1 3.86Å; F1106-L1136 HydrophobicContact CG-CD1 3.58Å; F1106-L1136 HydrophobicContact CZ-CD1 3.96Å; L1132-L1136 VanDerWaalsContact O-CG 3.3Å; L1132-L1136 WeakPolarHBondContact O-CG 3.4Å; L1132-L1136 PolarHBondContact O-N 2.93Å; L1132-L1136 VanDerWaalsContact O-N 3.15Å; S1134-L1136 VanDerWaalsContact C-N 3.26Å; S1134-L1136 PolarHBondContact O-N 3.23Å; L1136-D1138 PolarHBondContact O-N 2.98Å; L1136-V1139 HydrophobicContact CD2-CG2 4.3Å; L1136-V1139 WeakPolarHBondContact O-CB 3.4Å; L1136-V1139 WeakPolarHBondContact O-CG2 3.27Å; L1136-V1139 PolarHBondContact O-N 3.33Å; L1136-V1144 HydrophobicContact CD2-CG1 3.81Å; L1136-H1145 PolarHBondContact O-CD2 3.28Å; L1136-H1145 PolarHBondContact O-NE2 3.37Å; L1136-Q1148 HydrophobicContact CB-CG 4.24Å |
| 1137 | T | 87 | Confident | 85.1 | Confident | 19 Ų | 19 | 46.2 Ų | 46.2 | 12% | 0.117 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -70.1 | -20.3 | 178.9 | -38 | 0 | 0 | 0 | 0 | 112.5 | S1134 D1135 V1139 H1145 Q1148 | S1134-T1137 WeakPolarHBondContact O-CB 3.27Å; S1134-T1137 PolarHBondContact O-N 3.22Å; S1134-T1137 VanDerWaalsContact O-N 3.08Å; S1134-T1137 PolarHBondContact O-OG1 3.49Å; D1135-T1137 PolarHBondContact O-N 3.12Å; T1137-V1139 VanDerWaalsContact C-N 3.28Å; T1137-H1145 PolarHBondContact O-NE2 2.95Å; T1137-Q1148 PolarHBondContact OG1-NE2 2.88Å; T1137-Q1148 VanDerWaalsContact OG1-NE2 3.16Å |
| 1138 | D | 85.4 | Confident | 85.7 | Confident | 123 Ų | 123 | 38.7 Ų | 38.7 | 66% | 0.658 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -92.7 | 9.5 | -177 | -52.1 | -34.1 | 0 | 0 | 0 | 111.3 | D1135 L1136 K1173 | D1135-D1138 PolarHBondContact O-N 2.93Å; L1136-D1138 PolarHBondContact O-N 2.98Å; D1138-K1173 IonicContact OD1-NZ 3.6Å |
| 1139 | V | 86.9 | Confident | 86.2 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | trans | -89.5 | 127.7 | -179.9 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | C1091 L1136 T1137 Y1141 V1144 H1145 | C1091-V1139 HydrophobicContact CB-CG1 4.4Å; C1091-V1139 HydrophobicContact CB-CG2 4.4Å; C1091-V1139 VanDerWaalsContact O-CG1 3.28Å; C1091-V1139 WeakPolarHBondContact O-CG1 3.22Å; L1136-V1139 HydrophobicContact CD2-CG2 4.3Å; L1136-V1139 WeakPolarHBondContact O-CB 3.4Å; L1136-V1139 WeakPolarHBondContact O-CG2 3.27Å; L1136-V1139 PolarHBondContact O-N 3.33Å; T1137-V1139 VanDerWaalsContact C-N 3.28Å; V1139-Y1141 HydrophobicContact CG1-CD2 3.79Å; V1139-Y1141 PolarHBondContact O-N 2.89Å; V1139-V1144 HydrophobicContact CG1-CB 4.31Å; V1139-V1144 HydrophobicContact CG1-CG1 4.37Å; V1139-V1144 HydrophobicContact CG1-CG2 4.23Å; V1139-H1145 PolarHBondContact O-CE1 2.91Å; V1139-H1145 PolarHBondContact O-NE2 3.25Å; V1139-H1145 VanDerWaalsContact O-NE2 3.12Å | ||
| 1140 | P | 83.4 | Confident | 86.7 | Confident | 105 Ų | 105 | 38.7 Ų | 38.7 | 68% | 0.682 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -79.9 | 24.9 | -171.3 | 33.4 | -37.6 | 0 | 0 | 0 | 114.9 | ||
| 1141 | Y | 85.8 | Confident | 87 | Confident | 63 Ų | 63 | 38.2 Ų | 38.2 | 25% | 0.247 | 20% | 0.195 | C | C | . | . | trans | -130.4 | 114.3 | -169.7 | -59 | -72.3 | 0 | 0 | 0 | 113 | C1091 S1092 R1099 V1139 E1143 V1144 H1145 | C1091-Y1141 WeakPolarHBondContact O-CD2 3.32Å; S1092-Y1141 WeakPolarHBondContact O-CE2 3.26Å; R1099-Y1141 VanDerWaalsContact CZ-CD1 3.41Å; R1099-Y1141 VanDerWaalsContact CZ-CE1 3.49Å; V1139-Y1141 HydrophobicContact CG1-CD2 3.79Å; V1139-Y1141 PolarHBondContact O-N 2.89Å; Y1141-E1143 VanDerWaalsContact C-N 3.33Å; Y1141-E1143 PolarHBondContact O-N 3.45Å; Y1141-V1144 WeakPolarHBondContact O-CB 3.36Å; Y1141-V1144 PolarHBondContact O-N 3.41Å; Y1141-H1145 PolarHBondContact O-N 3.36Å | ||
| 1142 | E | 80.7 | Confident | 87.2 | Confident | 41 Ų | 41 | 32 Ų | 32 | 19% | 0.192 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.7 | -33 | -174.6 | -176.3 | 176.3 | -120.3 | 0 | 0 | 114.5 | V1144 H1145 M1146 N1188 S1191 | E1142-V1144 PolarHBondContact O-N 3.28Å; E1142-V1144 VanDerWaalsContact O-N 3.16Å; E1142-H1145 PolarHBondContact O-N 3.22Å; E1142-M1146 HydrophobicContact CG-CE 4.3Å; E1142-M1146 HydrophobicContact CG-CG 4.14Å; E1142-M1146 PolarHBondContact O-N 2.97Å; E1142-N1188 WeakPolarHBondContact OE1-CA 3.34Å; E1142-N1188 WeakPolarHBondContact OE1-CB 3.32Å; E1142-N1188 PolarHBondContact OE1-N 2.94Å; E1142-N1188 VanDerWaalsContact OE2-CB 3.31Å; E1142-N1188 WeakPolarHBondContact OE2-CB 3.5Å; E1142-N1188 PolarHBondContact OE2-ND2 3.2Å; E1142-S1191 VanDerWaalsContact OE1-CB 3.31Å; E1142-S1191 WeakPolarHBondContact OE1-CB 3.18Å |
| 1143 | E | 84.3 | Confident | 87.5 | Confident | 66 Ų | 66 | 31.9 Ų | 31.9 | 31% | 0.308 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.5 | -25.3 | 176.6 | 71 | -162.9 | 133.4 | 0 | 0 | 112.5 | S1096 R1099 Y1141 | S1096-E1143 PolarHBondContact OG-OE2 3.07Å; R1099-E1143 IonicContact CZ-OE1 2.8Å; R1099-E1143 IonicContact NE-OE1 3.93Å; R1099-E1143 PolarHBondContact NE-OE1 3.33Å; R1099-E1143 IonicContact NH2-OE1 2.81Å; R1099-E1143 PolarHBondContact NH2-OE1 3.19Å; Y1141-E1143 VanDerWaalsContact C-N 3.33Å; Y1141-E1143 PolarHBondContact O-N 3.45Å |
| 1144 | V | 89.1 | Confident | 87.6 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -78.4 | -47.7 | 171.2 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | C1091 R1099 L1136 V1139 Y1141 E1142 M1146 K1147 Q1148 | C1091-V1144 HydrophobicContact CB-CG1 3.92Å; C1091-V1144 HydrophobicContact CB-CG2 4.1Å; R1099-V1144 HydrophobicContact CB-CG2 4.25Å; L1136-V1144 HydrophobicContact CD2-CG1 3.81Å; V1139-V1144 HydrophobicContact CG1-CB 4.31Å; V1139-V1144 HydrophobicContact CG1-CG1 4.37Å; V1139-V1144 HydrophobicContact CG1-CG2 4.23Å; Y1141-V1144 WeakPolarHBondContact O-CB 3.36Å; Y1141-V1144 PolarHBondContact O-N 3.41Å; E1142-V1144 PolarHBondContact O-N 3.28Å; E1142-V1144 VanDerWaalsContact O-N 3.16Å; V1144-M1146 PolarHBondContact O-N 3.39Å; V1144-K1147 PolarHBondContact O-N 2.87Å; V1144-K1147 VanDerWaalsContact O-N 3.08Å; V1144-Q1148 WeakPolarHBondContact O-CB 3.5Å; V1144-Q1148 PolarHBondContact O-N 3.38Å |
| 1145 | H | 88.2 | Confident | 87.5 | Confident | 35 Ų | 35 | 34.9 Ų | 34.9 | 16% | 0.162 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.9 | -39.2 | 179 | -67.5 | 159.2 | 0 | 0 | 0 | 113.3 | L1136 T1137 V1139 Y1141 E1142 K1147 Q1148 L1149 | L1136-H1145 PolarHBondContact O-CD2 3.28Å; L1136-H1145 PolarHBondContact O-NE2 3.37Å; T1137-H1145 PolarHBondContact O-NE2 2.95Å; V1139-H1145 PolarHBondContact O-CE1 2.91Å; V1139-H1145 PolarHBondContact O-NE2 3.25Å; V1139-H1145 VanDerWaalsContact O-NE2 3.12Å; Y1141-H1145 PolarHBondContact O-N 3.36Å; E1142-H1145 PolarHBondContact O-N 3.22Å; H1145-K1147 VanDerWaalsContact C-N 3.28Å; H1145-K1147 PolarHBondContact O-N 3.46Å; H1145-Q1148 PolarHBondContact CD2-OE1 2.85Å; H1145-Q1148 VanDerWaalsContact CD2-OE1 3.24Å; H1145-Q1148 WeakPolarHBondContact O-CB 3.43Å; H1145-Q1148 PolarHBondContact O-N 3.4Å; H1145-L1149 WeakPolarHBondContact O-CB 3.24Å; H1145-L1149 VanDerWaalsContact O-CG 3.26Å; H1145-L1149 WeakPolarHBondContact O-CG 3.48Å; H1145-L1149 PolarHBondContact O-N 2.88Å |
| 1146 | M | 88.5 | Confident | 87.5 | Confident | 60 Ų | 60 | 32.8 Ų | 32.8 | 30% | 0.296 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.5 | -37.9 | 174 | -71.2 | -168.7 | -67.9 | 0 | 0 | 111.6 | E1142 V1144 D1150 S1190 L1194 | E1142-M1146 HydrophobicContact CG-CE 4.3Å; E1142-M1146 HydrophobicContact CG-CG 4.14Å; E1142-M1146 PolarHBondContact O-N 2.97Å; V1144-M1146 PolarHBondContact O-N 3.39Å; M1146-D1150 WeakPolarHBondContact O-CB 3.49Å; M1146-D1150 PolarHBondContact O-N 2.98Å; M1146-S1190 PolarHBondContact SD-OG 3Å; M1146-S1190 VanDerWaalsContact SD-OG 3.4Å; M1146-L1194 HydrophobicContact CB-CD2 4.49Å; M1146-L1194 WeakPolarHBondContact O-CD2 3.47Å |
| 1147 | K | 88.1 | Confident | 87.4 | Confident | 37 Ų | 37 | 39.2 Ų | 39.2 | 16% | 0.161 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -76.2 | -32.2 | 176.8 | -156.6 | 66.1 | 176.7 | 169.6 | 0 | 113 | D986 S1107 V1144 H1145 D1150 C1151 | D986-K1147 WeakPolarHBondContact OD1-CE 3.31Å; D986-K1147 IonicContact OD1-NZ 2.92Å; D986-K1147 PolarHBondContact OD1-NZ 2.89Å; D986-K1147 IonicContact OD2-NZ 2.8Å; D986-K1147 PolarHBondContact OD2-NZ 2.6Å; S1107-K1147 WeakPolarHBondContact OG-CE 3.15Å; V1144-K1147 PolarHBondContact O-N 2.87Å; V1144-K1147 VanDerWaalsContact O-N 3.08Å; H1145-K1147 VanDerWaalsContact C-N 3.28Å; H1145-K1147 PolarHBondContact O-N 3.46Å; K1147-D1150 HydrophobicContact CD-CB 4.42Å; K1147-D1150 IonicContact NZ-OD2 2.67Å; K1147-D1150 PolarHBondContact NZ-OD2 2.89Å; K1147-D1150 PolarHBondContact O-N 2.82Å; K1147-C1151 PolarHBondContact O-N 2.85Å; K1147-C1151 PolarHBondContact O-SG 2.88Å |
| 1148 | Q | 91.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.3 | -47.5 | 169.8 | -171.4 | -163.4 | 20.5 | 0 | 0 | 110.6 | L1133 L1136 T1137 V1144 H1145 C1151 V1152 I1174 | L1133-Q1148 HydrophobicContact CD2-CG 3.8Å; L1133-Q1148 PolarHBondContact O-NE2 3.09Å; L1136-Q1148 HydrophobicContact CB-CG 4.24Å; T1137-Q1148 PolarHBondContact OG1-NE2 2.88Å; T1137-Q1148 VanDerWaalsContact OG1-NE2 3.16Å; V1144-Q1148 WeakPolarHBondContact O-CB 3.5Å; V1144-Q1148 PolarHBondContact O-N 3.38Å; H1145-Q1148 PolarHBondContact CD2-OE1 2.85Å; H1145-Q1148 VanDerWaalsContact CD2-OE1 3.24Å; H1145-Q1148 WeakPolarHBondContact O-CB 3.43Å; H1145-Q1148 PolarHBondContact O-N 3.4Å; Q1148-C1151 WeakPolarHBondContact O-CB 3.34Å; Q1148-C1151 PolarHBondContact O-N 3.07Å; Q1148-V1152 PolarHBondContact O-N 3.33Å; Q1148-I1174 HydrophobicContact CG-CG2 3.95Å |
| 1149 | L | 90.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.6 | -38.9 | 176.5 | -67.7 | 167.3 | 0 | 0 | 0 | 112.9 | H1145 C1151 V1152 L1153 I1174 L1194 A1195 | H1145-L1149 WeakPolarHBondContact O-CB 3.24Å; H1145-L1149 VanDerWaalsContact O-CG 3.26Å; H1145-L1149 WeakPolarHBondContact O-CG 3.48Å; H1145-L1149 PolarHBondContact O-N 2.88Å; L1149-C1151 PolarHBondContact O-N 3.2Å; L1149-V1152 PolarHBondContact O-N 2.96Å; L1149-L1153 WeakPolarHBondContact O-CB 3.45Å; L1149-L1153 PolarHBondContact O-N 3.12Å; L1149-I1174 HydrophobicContact CD2-CG2 4.26Å; L1149-L1194 HydrophobicContact CB-CD2 3.85Å; L1149-L1194 HydrophobicContact CB-CG 4.08Å; L1149-L1194 HydrophobicContact CD1-CB 4.47Å; L1149-A1195 HydrophobicContact CD1-CB 3.83Å; L1149-A1195 HydrophobicContact CD2-CB 3.72Å; L1149-A1195 HydrophobicContact CG-CB 4.41Å |
| 1150 | D | 89.7 | Confident | 83.7 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 20% | 0.198 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.5 | -27.5 | 171.7 | -174.5 | 32.6 | 0 | 0 | 0 | 112.3 | R1111 M1146 K1147 Y1154 L1194 | R1111-D1150 IonicContact CZ-OD2 2.8Å; R1111-D1150 IonicContact NH1-OD2 3.12Å; R1111-D1150 PolarHBondContact NH2-O 3.31Å; R1111-D1150 IonicContact NH2-OD1 3.66Å; R1111-D1150 PolarHBondContact NH2-OD1 3.28Å; R1111-D1150 IonicContact NH2-OD2 2.65Å; R1111-D1150 PolarHBondContact NH2-OD2 3.26Å; M1146-D1150 WeakPolarHBondContact O-CB 3.49Å; M1146-D1150 PolarHBondContact O-N 2.98Å; K1147-D1150 HydrophobicContact CD-CB 4.42Å; K1147-D1150 IonicContact NZ-OD2 2.67Å; K1147-D1150 PolarHBondContact NZ-OD2 2.89Å; K1147-D1150 PolarHBondContact O-N 2.82Å; D1150-Y1154 PolarHBondContact O-N 3.2Å; D1150-Y1154 VanDerWaalsContact O-N 3.12Å; D1150-L1194 HydrophobicContact CB-CD2 4.36Å |
| 1151 | C | 89.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -81.2 | -37.8 | 173 | -65.2 | 0 | 0 | 0 | 0 | 113.2 | F1106 S1107 L1110 K1147 Q1148 L1149 L1153 Y1154 L1155 | F1106-C1151 HydrophobicContact CE1-CB 3.75Å; F1106-C1151 VanDerWaalsContact CE1-SG 3.55Å; F1106-C1151 HydrophobicContact CZ-CB 3.99Å; S1107-C1151 VanDerWaalsContact CA-SG 3.59Å; S1107-C1151 VanDerWaalsContact CB-SG 3.55Å; S1107-C1151 PolarHBondContact OG-SG 2.85Å; L1110-C1151 HydrophobicContact CD1-CB 4.16Å; L1110-C1151 HydrophobicContact CD2-CB 3.96Å; K1147-C1151 PolarHBondContact O-N 2.85Å; K1147-C1151 PolarHBondContact O-SG 2.88Å; Q1148-C1151 WeakPolarHBondContact O-CB 3.34Å; Q1148-C1151 PolarHBondContact O-N 3.07Å; L1149-C1151 PolarHBondContact O-N 3.2Å; C1151-L1153 VanDerWaalsContact C-N 3.33Å; C1151-Y1154 WeakPolarHBondContact O-CB 3.47Å; C1151-Y1154 PolarHBondContact O-N 2.67Å; C1151-L1155 PolarHBondContact O-N 3.41Å |
| 1152 | V | 90.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 170.6 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | L1133 Q1148 L1149 Y1154 L1155 L1156 I1171 I1174 I1175 A1198 | L1133-V1152 HydrophobicContact CD1-CG2 4.46Å; L1133-V1152 HydrophobicContact CD2-CG2 3.99Å; Q1148-V1152 PolarHBondContact O-N 3.33Å; L1149-V1152 PolarHBondContact O-N 2.96Å; V1152-Y1154 VanDerWaalsContact C-N 3.31Å; V1152-Y1154 PolarHBondContact O-N 2.73Å; V1152-L1155 PolarHBondContact O-N 2.81Å; V1152-L1156 HydrophobicContact CG1-CD1 4.03Å; V1152-L1156 HydrophobicContact CG1-CG 4.44Å; V1152-L1156 VanDerWaalsContact O-CG 3.31Å; V1152-L1156 WeakPolarHBondContact O-CG 3.31Å; V1152-L1156 PolarHBondContact O-N 2.65Å; V1152-I1171 HydrophobicContact CG1-CG2 4.09Å; V1152-I1174 HydrophobicContact CG2-CG2 3.93Å; V1152-I1175 HydrophobicContact CG1-CD1 4.15Å; V1152-I1175 HydrophobicContact CG1-CG1 4.31Å; V1152-A1198 HydrophobicContact CG1-CB 4.46Å |
| 1153 | L | 89.6 | Confident | 81.5 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63 | -34.7 | 172.8 | -84.1 | 170.7 | 0 | 0 | 0 | 113.2 | L1149 C1151 R1157 L1194 Q1197 A1198 | L1149-L1153 WeakPolarHBondContact O-CB 3.45Å; L1149-L1153 PolarHBondContact O-N 3.12Å; C1151-L1153 VanDerWaalsContact C-N 3.33Å; L1153-R1157 WeakPolarHBondContact O-CB 3.33Å; L1153-R1157 VanDerWaalsContact O-CD 3.23Å; L1153-R1157 WeakPolarHBondContact O-CD 3.44Å; L1153-R1157 WeakPolarHBondContact O-CG 3.33Å; L1153-R1157 PolarHBondContact O-N 3.43Å; L1153-L1194 HydrophobicContact CD1-CD1 3.35Å; L1153-L1194 HydrophobicContact CD1-CG 3.72Å; L1153-Q1197 HydrophobicContact CD1-CB 4.49Å; L1153-Q1197 HydrophobicContact CD2-CB 4.4Å; L1153-Q1197 HydrophobicContact CD2-CG 4.2Å; L1153-A1198 HydrophobicContact CD2-CB 3.83Å; L1153-A1198 HydrophobicContact CG-CB 4Å |
| 1154 | Y | 87.9 | Confident | 81.2 | Confident | 73 Ų | 73 | 55.2 Ų | 55.2 | 29% | 0.286 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.8 | -50.3 | 173.2 | -173.6 | -92.4 | 0 | 0 | 0 | 110.9 | R1111 V1114 D1150 C1151 V1152 L1156 R1157 T1158 | R1111-Y1154 HydrophobicContact CB-CD1 4.31Å; R1111-Y1154 HydrophobicContact CB-CE1 4.03Å; R1111-Y1154 HydrophobicContact CG-CD1 3.79Å; R1111-Y1154 HydrophobicContact CG-CD2 4.04Å; R1111-Y1154 HydrophobicContact CG-CE1 3.99Å; R1111-Y1154 HydrophobicContact CG-CE2 4.25Å; R1111-Y1154 HydrophobicContact CG-CG 3.81Å; V1114-Y1154 HydrophobicContact CB-CD1 4.35Å; V1114-Y1154 HydrophobicContact CB-CE1 4.14Å; V1114-Y1154 HydrophobicContact CG1-CD1 4.18Å; V1114-Y1154 HydrophobicContact CG1-CE1 4.09Å; D1150-Y1154 PolarHBondContact O-N 3.2Å; D1150-Y1154 VanDerWaalsContact O-N 3.12Å; C1151-Y1154 WeakPolarHBondContact O-CB 3.47Å; C1151-Y1154 PolarHBondContact O-N 2.67Å; V1152-Y1154 VanDerWaalsContact C-N 3.31Å; V1152-Y1154 PolarHBondContact O-N 2.73Å; Y1154-L1156 VanDerWaalsContact C-N 3.31Å; Y1154-L1156 PolarHBondContact O-N 2.69Å; Y1154-R1157 PolarHBondContact O-N 2.87Å; Y1154-T1158 HydrophobicContact CD1-CG2 3.97Å; Y1154-T1158 HydrophobicContact CE1-CG2 3.51Å; Y1154-T1158 HydrophobicContact CE2-CG2 4.48Å; Y1154-T1158 PolarHBondContact O-N 2.95Å; Y1154-T1158 PolarHBondContact O-OG1 3.05Å |
| 1155 | L | 86.3 | Confident | 80.6 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.5 | -40.9 | 177.7 | 179.4 | 65.6 | 0 | 0 | 0 | 112.9 | V1114 L1120 M1130 C1151 V1152 R1157 T1158 I1171 | V1114-L1155 HydrophobicContact CG1-CD1 3.81Å; V1114-L1155 HydrophobicContact CG2-CD1 3.92Å; L1120-L1155 HydrophobicContact CD1-CD1 3.96Å; L1120-L1155 HydrophobicContact CD2-CD1 4.44Å; M1130-L1155 HydrophobicContact SD-CD2 4.19Å; C1151-L1155 PolarHBondContact O-N 3.41Å; V1152-L1155 PolarHBondContact O-N 2.81Å; L1155-R1157 VanDerWaalsContact C-N 3.28Å; L1155-R1157 PolarHBondContact O-N 2.7Å; L1155-T1158 PolarHBondContact O-OG1 3.28Å; L1155-I1171 HydrophobicContact CD2-CD1 4.39Å |
| 1156 | L | 86.9 | Confident | 80.2 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -14.3 | 176.9 | -67.7 | 172.2 | 0 | 0 | 0 | 114.1 | V1152 Y1154 I1163 W1168 A1198 L1201 V1202 F1206 | V1152-L1156 HydrophobicContact CG1-CD1 4.03Å; V1152-L1156 HydrophobicContact CG1-CG 4.44Å; V1152-L1156 VanDerWaalsContact O-CG 3.31Å; V1152-L1156 WeakPolarHBondContact O-CG 3.31Å; V1152-L1156 PolarHBondContact O-N 2.65Å; Y1154-L1156 VanDerWaalsContact C-N 3.31Å; Y1154-L1156 PolarHBondContact O-N 2.69Å; L1156-I1163 HydrophobicContact CD2-CD1 3.72Å; L1156-W1168 HydrophobicContact CD2-CH2 4.08Å; L1156-W1168 HydrophobicContact CD2-CZ3 3.92Å; L1156-A1198 HydrophobicContact CD1-CB 3.95Å; L1156-L1201 HydrophobicContact CB-CD2 3.69Å; L1156-L1201 HydrophobicContact CB-CG 4.43Å; L1156-V1202 HydrophobicContact CD1-CG2 3.88Å; L1156-V1202 HydrophobicContact CD2-CG2 3.8Å; L1156-F1206 HydrophobicContact CD2-CE2 4.46Å |
| 1157 | R | 86.4 | Confident | 80 | Confident | 135 Ų | 135 | 59.6 Ų | 59.6 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -19.1 | -178.9 | -72.5 | 170 | -174.1 | 160.6 | 2.2 | 113.7 | L1153 Y1154 L1155 L1201 | L1153-R1157 WeakPolarHBondContact O-CB 3.33Å; L1153-R1157 VanDerWaalsContact O-CD 3.23Å; L1153-R1157 WeakPolarHBondContact O-CD 3.44Å; L1153-R1157 WeakPolarHBondContact O-CG 3.33Å; L1153-R1157 PolarHBondContact O-N 3.43Å; Y1154-R1157 PolarHBondContact O-N 2.87Å; L1155-R1157 VanDerWaalsContact C-N 3.28Å; L1155-R1157 PolarHBondContact O-N 2.7Å; R1157-L1201 HydrophobicContact CG-CD2 3.87Å |
| 1158 | T | 73.5 | Confident | 80.1 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 27% | 0.27 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -68.6 | 146.8 | -178.4 | 30.6 | 0 | 0 | 0 | 0 | 112.7 | V1114 Y1154 L1155 D1160 | V1114-T1158 HydrophobicContact CG1-CG2 3.98Å; V1114-T1158 VanDerWaalsContact CG1-OG1 3.28Å; V1114-T1158 WeakPolarHBondContact CG1-OG1 3.48Å; Y1154-T1158 HydrophobicContact CD1-CG2 3.97Å; Y1154-T1158 HydrophobicContact CE1-CG2 3.51Å; Y1154-T1158 HydrophobicContact CE2-CG2 4.48Å; Y1154-T1158 PolarHBondContact O-N 2.95Å; Y1154-T1158 PolarHBondContact O-OG1 3.05Å; L1155-T1158 PolarHBondContact O-OG1 3.28Å; T1158-D1160 PolarHBondContact O-N 3.44Å; T1158-D1160 VanDerWaalsContact O-N 3.1Å |
| 1159 | K | 52.8 | Low | 79.9 | Confident | 203 Ų | 203 | 60.4 Ų | 60.4 | 88% | 0.883 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -78 | 95 | -172.1 | -64.6 | 178.3 | -179.3 | 177.3 | 0 | 111.2 | ||
| 1160 | D | 54 | Low | 79.7 | Confident | 142 Ų | 142 | 62 Ų | 62 | 76% | 0.759 | 31% | 0.305 | S | S | * | . | -174.7 | 146 | 112.5 | -88.2 | -16.9 | 0 | 0 | 0 | 110.6 | T1158 S1162 | T1158-D1160 PolarHBondContact O-N 3.44Å; T1158-D1160 VanDerWaalsContact O-N 3.1Å; D1160-S1162 VanDerWaalsContact C-N 3.28Å; D1160-S1162 PolarHBondContact O-N 3.04Å | |||
| 1161 | R | 60.8 | Low | 79.8 | Confident | 195 Ų | 195 | 60.2 Ų | 60.2 | 74% | 0.736 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -83.8 | 46.5 | -154.5 | -65.1 | -172.9 | 175.1 | -128.2 | -1 | 115.4 | Q1209 | R1161-Q1209 PolarHBondContact O-NE2 3.42Å; R1161-Q1209 PolarHBondContact O-OE1 3.4Å |
| 1162 | S | 66.3 | Low | 79.9 | Confident | 89 Ų | 89 | 60.5 Ų | 60.5 | 62% | 0.622 | 30% | 0.297 | S | S | * | . | trans | -147.5 | 97 | 172.8 | 55.8 | 0 | 0 | 0 | 0 | 112.5 | D1160 | D1160-S1162 VanDerWaalsContact C-N 3.28Å; D1160-S1162 PolarHBondContact O-N 3.04Å | ||
| 1163 | I | 77.9 | Confident | 79.8 | Confident | 23 Ų | 23 | 64.6 Ų | 64.6 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | trans | -85.7 | 124.1 | 170.6 | -67.3 | 175.9 | 0 | 0 | 0 | 108.5 | L1156 S1165 L1167 W1168 I1171 F1206 | L1156-I1163 HydrophobicContact CD2-CD1 3.72Å; I1163-S1165 PolarHBondContact O-N 3.48Å; I1163-L1167 HydrophobicContact CG2-CB 4.2Å; I1163-L1167 HydrophobicContact CG2-CD1 4.15Å; I1163-W1168 HydrophobicContact CB-CH2 4.19Å; I1163-W1168 HydrophobicContact CB-CZ2 3.64Å; I1163-W1168 HydrophobicContact CD1-CH2 3.74Å; I1163-W1168 HydrophobicContact CD1-CZ2 4.1Å; I1163-W1168 HydrophobicContact CD1-CZ3 4.43Å; I1163-W1168 HydrophobicContact CG1-CZ2 4.39Å; I1163-W1168 HydrophobicContact CG2-CD2 4.29Å; I1163-W1168 HydrophobicContact CG2-CH2 4.22Å; I1163-W1168 HydrophobicContact CG2-CZ2 3.79Å; I1163-I1171 HydrophobicContact CG2-CD1 4.22Å; I1163-F1206 HydrophobicContact CD1-CD1 4.13Å; I1163-F1206 HydrophobicContact CD1-CE1 3.57Å; I1163-F1206 HydrophobicContact CD1-CZ 4.03Å; I1163-F1206 HydrophobicContact CG1-CE1 4Å | ||
| 1164 | H | 78.1 | Confident | 79.8 | Confident | 67 Ų | 67 | 64.5 Ų | 64.5 | 31% | 0.31 | 32% | 0.315 | S | S | . | . | trans | -57.2 | 136.2 | 179.8 | -66.7 | -80.8 | 0 | 0 | 0 | 111.8 | L1120 R1126 E1166 L1167 | L1120-H1164 PolarHBondContact O-NE2 3Å; R1126-H1164 PolarHBondContact NE-CD2 3.16Å; R1126-H1164 VanDerWaalsContact NE-CD2 3.31Å; R1126-H1164 PolarHBondContact NH2-NE2 3.37Å; R1126-H1164 VanDerWaalsContact NH2-NE2 3.13Å; H1164-E1166 HydrophobicContact CB-CG 4.24Å; H1164-E1166 PolarHBondContact O-N 3.28Å; H1164-E1166 VanDerWaalsContact O-N 3.14Å; H1164-L1167 HydrophobicContact CB-CD1 4.17Å; H1164-L1167 HydrophobicContact CB-CG 4.22Å; H1164-L1167 WeakPolarHBondContact O-CB 3.49Å; H1164-L1167 WeakPolarHBondContact O-CG 3.27Å; H1164-L1167 PolarHBondContact O-N 3.19Å | ||
| 1165 | S | 76.1 | Confident | 80 | Confident | 68 Ų | 68 | 61 Ų | 61 | 48% | 0.476 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -58.7 | -32.9 | -171.1 | 51.4 | 0 | 0 | 0 | 0 | 114.1 | I1163 L1167 W1168 | I1163-S1165 PolarHBondContact O-N 3.48Å; S1165-L1167 PolarHBondContact O-N 3.24Å; S1165-L1167 VanDerWaalsContact O-N 3.14Å; S1165-W1168 PolarHBondContact O-N 3.31Å |
| 1166 | E | 79.5 | Confident | 80.1 | Confident | 112 Ų | 112 | 60.8 Ų | 60.8 | 52% | 0.523 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -63.1 | -14.6 | 177.1 | 61 | 174.8 | -169.3 | 0 | 0 | 115 | R1126 H1164 | R1126-E1166 WeakPolarHBondContact CD-OE1 3.1Å; R1126-E1166 IonicContact CZ-OE1 3.24Å; R1126-E1166 IonicContact NE-OE1 3.41Å; R1126-E1166 IonicContact NH1-OE1 3.32Å; R1126-E1166 PolarHBondContact NH1-OE1 3.43Å; H1164-E1166 HydrophobicContact CB-CG 4.24Å; H1164-E1166 PolarHBondContact O-N 3.28Å; H1164-E1166 VanDerWaalsContact O-N 3.14Å |
| 1167 | L | 84.7 | Confident | 80 | Confident | 9 Ų | 9 | 62 Ų | 62 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -88.9 | -25.9 | -178.3 | -50.1 | 178 | 0 | 0 | 0 | 113 | R1126 M1130 I1163 H1164 S1165 S1170 I1171 | R1126-L1167 HydrophobicContact CG-CD1 3.92Å; R1126-L1167 HydrophobicContact CG-CD2 3.48Å; R1126-L1167 VanDerWaalsContact CG-CD2 3.48Å; R1126-L1167 HydrophobicContact CG-CG 4.26Å; M1130-L1167 HydrophobicContact CB-CD2 4.42Å; M1130-L1167 HydrophobicContact CG-CD2 3.54Å; M1130-L1167 HydrophobicContact CG-CG 4.49Å; I1163-L1167 HydrophobicContact CG2-CB 4.2Å; I1163-L1167 HydrophobicContact CG2-CD1 4.15Å; H1164-L1167 HydrophobicContact CB-CD1 4.17Å; H1164-L1167 HydrophobicContact CB-CG 4.22Å; H1164-L1167 WeakPolarHBondContact O-CB 3.49Å; H1164-L1167 WeakPolarHBondContact O-CG 3.27Å; H1164-L1167 PolarHBondContact O-N 3.19Å; S1165-L1167 PolarHBondContact O-N 3.24Å; S1165-L1167 VanDerWaalsContact O-N 3.14Å; L1167-S1170 PolarHBondContact O-N 2.98Å; L1167-I1171 HydrophobicContact CB-CD1 4.21Å; L1167-I1171 WeakPolarHBondContact O-CG1 3.47Å; L1167-I1171 PolarHBondContact O-N 2.84Å |
| 1168 | W | 89.2 | Confident | 79.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.6 | -41.8 | -177.3 | -67.1 | 122.2 | 0 | 0 | 0 | 114 | L1156 I1163 S1165 S1170 I1171 F1172 V1202 F1206 L1210 C1214 | L1156-W1168 HydrophobicContact CD2-CH2 4.08Å; L1156-W1168 HydrophobicContact CD2-CZ3 3.92Å; I1163-W1168 HydrophobicContact CB-CH2 4.19Å; I1163-W1168 HydrophobicContact CB-CZ2 3.64Å; I1163-W1168 HydrophobicContact CD1-CH2 3.74Å; I1163-W1168 HydrophobicContact CD1-CZ2 4.1Å; I1163-W1168 HydrophobicContact CD1-CZ3 4.43Å; I1163-W1168 HydrophobicContact CG1-CZ2 4.39Å; I1163-W1168 HydrophobicContact CG2-CD2 4.29Å; I1163-W1168 HydrophobicContact CG2-CH2 4.22Å; I1163-W1168 HydrophobicContact CG2-CZ2 3.79Å; S1165-W1168 PolarHBondContact O-N 3.31Å; W1168-S1170 VanDerWaalsContact C-N 3.31Å; W1168-S1170 PolarHBondContact O-N 2.78Å; W1168-I1171 HydrophobicContact CE3-CB 4.38Å; W1168-I1171 HydrophobicContact CE3-CD1 3.91Å; W1168-I1171 HydrophobicContact CE3-CG2 4.25Å; W1168-I1171 HydrophobicContact CZ3-CD1 4.13Å; W1168-I1171 HydrophobicContact CZ3-CG2 4.39Å; W1168-I1171 PolarHBondContact O-N 2.78Å; W1168-F1172 HydrophobicContact CB-CD2 4.18Å; W1168-F1172 HydrophobicContact CB-CE2 3.82Å; W1168-F1172 HydrophobicContact CE3-CE2 4.41Å; W1168-F1172 HydrophobicContact CE3-CZ 4.03Å; W1168-F1172 HydrophobicContact CG-CE2 4.45Å; W1168-F1172 WeakPolarHBondContact O-CD2 3.49Å; W1168-F1172 WeakPolarHBondContact O-CG 3.06Å; W1168-F1172 PolarHBondContact O-N 2.82Å; W1168-V1202 HydrophobicContact CH2-CG1 4.2Å; W1168-V1202 HydrophobicContact CH2-CG2 4.29Å; W1168-V1202 HydrophobicContact CZ3-CB 4.48Å; W1168-V1202 HydrophobicContact CZ3-CG1 3.88Å; W1168-V1202 HydrophobicContact CZ3-CG2 3.72Å; W1168-F1206 HydrophobicContact CH2-CB 3.8Å; W1168-F1206 AromaticContact CH2-CD1 3.74Å; W1168-F1206 HydrophobicContact CH2-CD1 3.74Å; W1168-F1206 HydrophobicContact CH2-CE1 4.46Å; W1168-F1206 AromaticContact CH2-CG 3.81Å; W1168-F1206 HydrophobicContact CH2-CG 3.81Å; W1168-F1206 HydrophobicContact CZ2-CB 4.1Å; W1168-F1206 AromaticContact CZ2-CD1 3.9Å; W1168-F1206 HydrophobicContact CZ2-CD1 3.9Å; W1168-F1206 HydrophobicContact CZ2-CG 4.27Å; W1168-L1210 HydrophobicContact CD2-CD2 3.49Å; W1168-L1210 VanDerWaalsContact CD2-CD2 3.49Å; W1168-L1210 VanDerWaalsContact CE2-CD2 3.41Å; W1168-L1210 HydrophobicContact CE3-CD2 4.02Å; W1168-L1210 HydrophobicContact CG-CD2 3.74Å; W1168-L1210 HydrophobicContact CH2-CD2 4.36Å; W1168-L1210 HydrophobicContact CZ2-CD2 3.87Å; W1168-L1210 HydrophobicContact CZ3-CD2 4.43Å; W1168-C1214 HydrophobicContact CB-CB 4.28Å |
| 1169 | P | 88.3 | Confident | 80 | Confident | 54 Ų | 54 | 55.1 Ų | 55.1 | 35% | 0.351 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.4 | -36.3 | 177.3 | -25 | 35.9 | 0 | 0 | 0 | 113.7 | K1173 Q1217 | P1169-K1173 WeakPolarHBondContact O-CB 3.3Å; P1169-K1173 PolarHBondContact O-N 3.26Å; P1169-Q1217 VanDerWaalsContact CA-OE1 3.32Å |
| 1170 | S | 86.7 | Confident | 80.7 | Confident | 34 Ų | 34 | 48.1 Ų | 48.1 | 24% | 0.238 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.4 | -41.8 | 174.1 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | L1167 W1168 K1173 I1174 | L1167-S1170 PolarHBondContact O-N 2.98Å; W1168-S1170 VanDerWaalsContact C-N 3.31Å; W1168-S1170 PolarHBondContact O-N 2.78Å; S1170-K1173 PolarHBondContact O-N 2.9Å; S1170-I1174 VanDerWaalsContact O-CD1 3.3Å; S1170-I1174 WeakPolarHBondContact O-CD1 3.49Å; S1170-I1174 WeakPolarHBondContact O-CG1 3.4Å; S1170-I1174 PolarHBondContact O-N 2.72Å |
| 1171 | I | 90.7 | Very high | 80.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 175.8 | -68.5 | 167 | 0 | 0 | 0 | 110.5 | M1130 V1152 L1155 I1163 L1167 W1168 I1174 I1175 | M1130-I1171 HydrophobicContact CE-CG1 3.85Å; V1152-I1171 HydrophobicContact CG1-CG2 4.09Å; L1155-I1171 HydrophobicContact CD2-CD1 4.39Å; I1163-I1171 HydrophobicContact CG2-CD1 4.22Å; L1167-I1171 HydrophobicContact CB-CD1 4.21Å; L1167-I1171 WeakPolarHBondContact O-CG1 3.47Å; L1167-I1171 PolarHBondContact O-N 2.84Å; W1168-I1171 HydrophobicContact CE3-CB 4.38Å; W1168-I1171 HydrophobicContact CE3-CD1 3.91Å; W1168-I1171 HydrophobicContact CE3-CG2 4.25Å; W1168-I1171 HydrophobicContact CZ3-CD1 4.13Å; W1168-I1171 HydrophobicContact CZ3-CG2 4.39Å; W1168-I1171 PolarHBondContact O-N 2.78Å; I1171-I1174 PolarHBondContact O-N 2.77Å; I1171-I1175 HydrophobicContact CG2-CD1 3.66Å; I1171-I1175 HydrophobicContact CG2-CG1 4.5Å; I1171-I1175 WeakPolarHBondContact O-CB 3.49Å; I1171-I1175 WeakPolarHBondContact O-CG1 3.35Å; I1171-I1175 PolarHBondContact O-N 3.47Å |
| 1172 | F | 91.9 | Very high | 80 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.022 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.7 | -34.9 | 178 | -62.8 | -44.6 | 0 | 0 | 0 | 113.2 | W1168 I1174 G1176 L1199 V1202 L1210 C1214 Q1217 F1218 | W1168-F1172 HydrophobicContact CB-CD2 4.18Å; W1168-F1172 HydrophobicContact CB-CE2 3.82Å; W1168-F1172 HydrophobicContact CE3-CE2 4.41Å; W1168-F1172 HydrophobicContact CE3-CZ 4.03Å; W1168-F1172 HydrophobicContact CG-CE2 4.45Å; W1168-F1172 WeakPolarHBondContact O-CD2 3.49Å; W1168-F1172 WeakPolarHBondContact O-CG 3.06Å; W1168-F1172 PolarHBondContact O-N 2.82Å; F1172-I1174 VanDerWaalsContact C-N 3.33Å; F1172-I1174 PolarHBondContact O-N 2.9Å; F1172-G1176 PolarHBondContact O-N 3.43Å; F1172-L1199 HydrophobicContact CD1-CD1 4.25Å; F1172-L1199 HydrophobicContact CE1-CD1 4.16Å; F1172-V1202 HydrophobicContact CE1-CG1 4.07Å; F1172-V1202 HydrophobicContact CZ-CG1 4.08Å; F1172-L1210 HydrophobicContact CE2-CD2 4.44Å; F1172-L1210 HydrophobicContact CZ-CD1 4.13Å; F1172-L1210 HydrophobicContact CZ-CD2 4.15Å; F1172-C1214 HydrophobicContact CE2-CB 4.38Å; F1172-C1214 WeakPolarHBondContact CE2-O 3.11Å; F1172-Q1217 HydrophobicContact CD2-CB 3.72Å; F1172-Q1217 HydrophobicContact CE2-CB 4.33Å; F1172-Q1217 HydrophobicContact CG-CB 4.39Å; F1172-F1218 HydrophobicContact CE1-CB 4.2Å; F1172-F1218 AromaticContact CE1-CD2 3.83Å; F1172-F1218 HydrophobicContact CE1-CD2 3.83Å; F1172-F1218 HydrophobicContact CE2-CB 4.32Å; F1172-F1218 HydrophobicContact CZ-CB 3.85Å; F1172-F1218 HydrophobicContact CZ-CD2 4.03Å; F1172-F1218 HydrophobicContact CZ-CG 4.47Å |
| 1173 | K | 89 | Confident | 78.7 | Confident | 86 Ų | 86 | 45.5 Ų | 45.5 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.8 | -47.9 | 169.9 | -175.4 | -159.8 | 171.7 | -160.5 | 0 | 110.8 | S1134 D1138 P1169 S1170 S1177 | S1134-K1173 PolarHBondContact O-NZ 3.42Å; S1134-K1173 PolarHBondContact OG-NZ 2.79Å; D1138-K1173 IonicContact OD1-NZ 3.6Å; P1169-K1173 WeakPolarHBondContact O-CB 3.3Å; P1169-K1173 PolarHBondContact O-N 3.26Å; S1170-K1173 PolarHBondContact O-N 2.9Å; K1173-S1177 PolarHBondContact O-N 2.8Å; K1173-S1177 VanDerWaalsContact O-N 3.07Å |
| 1174 | I | 89.4 | Confident | 77.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.9 | -41.3 | -175.7 | -65.8 | 160.9 | 0 | 0 | 0 | 111.2 | L1133 Q1148 L1149 V1152 S1170 I1171 F1172 S1177 | L1133-I1174 HydrophobicContact CB-CD1 3.82Å; L1133-I1174 HydrophobicContact CD2-CD1 4.11Å; L1133-I1174 HydrophobicContact CG-CD1 4.42Å; L1133-I1174 WeakPolarHBondContact O-CD1 3.17Å; Q1148-I1174 HydrophobicContact CG-CG2 3.95Å; L1149-I1174 HydrophobicContact CD2-CG2 4.26Å; V1152-I1174 HydrophobicContact CG2-CG2 3.93Å; S1170-I1174 VanDerWaalsContact O-CD1 3.3Å; S1170-I1174 WeakPolarHBondContact O-CD1 3.49Å; S1170-I1174 WeakPolarHBondContact O-CG1 3.4Å; S1170-I1174 PolarHBondContact O-N 2.72Å; I1171-I1174 PolarHBondContact O-N 2.77Å; F1172-I1174 VanDerWaalsContact C-N 3.33Å; F1172-I1174 PolarHBondContact O-N 2.9Å; I1174-S1177 PolarHBondContact O-OG 3.45Å |
| 1175 | I | 91.9 | Very high | 75.6 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.6 | -39.4 | 176.6 | -71.2 | 172.3 | 0 | 0 | 0 | 111.5 | V1152 I1171 A1198 L1199 T1221 F1225 | V1152-I1175 HydrophobicContact CG1-CD1 4.15Å; V1152-I1175 HydrophobicContact CG1-CG1 4.31Å; I1171-I1175 HydrophobicContact CG2-CD1 3.66Å; I1171-I1175 HydrophobicContact CG2-CG1 4.5Å; I1171-I1175 WeakPolarHBondContact O-CB 3.49Å; I1171-I1175 WeakPolarHBondContact O-CG1 3.35Å; I1171-I1175 PolarHBondContact O-N 3.47Å; I1175-A1198 HydrophobicContact CD1-CB 3.65Å; I1175-A1198 HydrophobicContact CG1-CB 4.02Å; I1175-L1199 HydrophobicContact CG2-CB 3.93Å; I1175-L1199 HydrophobicContact CG2-CD1 4.2Å; I1175-L1199 HydrophobicContact CG2-CG 4.46Å; I1175-T1221 HydrophobicContact CG2-CG2 3.91Å; I1175-F1225 HydrophobicContact CG2-CE2 3.74Å; I1175-F1225 HydrophobicContact CG2-CZ 4.18Å; I1175-F1225 WeakPolarHBondContact O-CE2 3.12Å; I1175-F1225 VanDerWaalsContact O-CZ 3.29Å; I1175-F1225 WeakPolarHBondContact O-CZ 3.49Å |
| 1176 | G | 88 | Confident | 74.4 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.1 | -25.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F1172 S1178 T1179 S1180 | F1172-G1176 PolarHBondContact O-N 3.43Å; G1176-S1178 PolarHBondContact O-N 2.98Å; G1176-T1179 PolarHBondContact O-N 3.23Å; G1176-T1179 PolarHBondContact O-OG1 3.16Å; G1176-S1180 PolarHBondContact O-OG 3.43Å |
| 1177 | S | 85.7 | Confident | 73.2 | Confident | 31 Ų | 31 | 51.1 Ų | 51.1 | 22% | 0.217 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.4 | -38.1 | -178.3 | 74.1 | 0 | 0 | 0 | 0 | 112.5 | K1173 I1174 T1179 S1180 | K1173-S1177 PolarHBondContact O-N 2.8Å; K1173-S1177 VanDerWaalsContact O-N 3.07Å; I1174-S1177 PolarHBondContact O-OG 3.45Å; S1177-T1179 PolarHBondContact O-N 2.91Å; S1177-S1180 PolarHBondContact O-N 3.35Å |
| 1178 | S | 82 | Confident | 72.2 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 10% | 0.098 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -10.9 | -180 | -40.4 | 0 | 0 | 0 | 0 | 114.3 | G1176 | G1176-S1178 PolarHBondContact O-N 2.98Š|
| 1179 | T | 77 | Confident | 71.7 | Confident | 22 Ų | 22 | 58.5 Ų | 58.5 | 14% | 0.135 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -11.1 | 176.9 | 67.9 | 0 | 0 | 0 | 0 | 113.5 | G1176 S1177 S1181 Q1224 F1225 Q1228 | G1176-T1179 PolarHBondContact O-N 3.23Å; G1176-T1179 PolarHBondContact O-OG1 3.16Å; S1177-T1179 PolarHBondContact O-N 2.91Å; T1179-S1181 PolarHBondContact O-N 2.91Å; T1179-Q1224 HydrophobicContact CG2-CB 4.42Å; T1179-Q1224 WeakPolarHBondContact OG1-CB 3.48Å; T1179-F1225 HydrophobicContact CG2-CD1 3.74Å; T1179-F1225 HydrophobicContact CG2-CD2 3.8Å; T1179-F1225 HydrophobicContact CG2-CE1 3.55Å; T1179-F1225 HydrophobicContact CG2-CE2 3.58Å; T1179-F1225 HydrophobicContact CG2-CG 3.86Å; T1179-F1225 HydrophobicContact CG2-CZ 3.46Å; T1179-F1225 VanDerWaalsContact CG2-CZ 3.46Å; T1179-Q1228 HydrophobicContact CG2-CB 4.3Å; T1179-Q1228 HydrophobicContact CG2-CG 4.33Å |
| 1180 | S | 67.8 | Low | 71.3 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | trans | -83.2 | 109 | -170.7 | -65.1 | 0 | 0 | 0 | 0 | 111.1 | G1176 S1177 S1182 | G1176-S1180 PolarHBondContact O-OG 3.43Å; S1177-S1180 PolarHBondContact O-N 3.35Å; S1180-S1182 PolarHBondContact O-N 3.41Å | ||
| 1181 | S | 52.3 | Low | 71.2 | Confident | 129 Ų | 129 | 57.2 Ų | 57.2 | 90% | 0.902 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 19.3 | -169 | 55.2 | 0 | 0 | 0 | 0 | 116.3 | T1179 | T1179-S1181 PolarHBondContact O-N 2.91Š|
| 1182 | S | 46.6 | Very low | 71 | Confident | 87 Ų | 87 | 57.3 Ų | 57.3 | 61% | 0.608 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -19.3 | -172.7 | 55.5 | 0 | 0 | 0 | 0 | 115.2 | S1180 | S1180-S1182 PolarHBondContact O-N 3.41Š|
| 1183 | H | 40.8 | Very low | 70.9 | Confident | 155 Ų | 155 | 62.3 Ų | 62.3 | 72% | 0.718 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -136.1 | 128.9 | -176.7 | -63.6 | -45.1 | 0 | 0 | 0 | 113.6 | ||
| 1184 | S | 42.8 | Very low | 70.9 | Confident | 93 Ų | 93 | 60.2 Ų | 60.2 | 65% | 0.65 | 35% | 0.35 | S | S | * | . | trans | 66.6 | 146.9 | 179.9 | 78.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1185 | V | 47.5 | Very low | 71 | Confident | 121 Ų | 121 | 60.2 Ų | 60.2 | 73% | 0.733 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -78.9 | -27.5 | 178.4 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1186 | D | 50.3 | Low | 71.1 | Confident | 125 Ų | 125 | 60.8 Ų | 60.8 | 67% | 0.668 | 35% | 0.353 | S | S | * | . | trans | -109 | 40.2 | -162.1 | -52.7 | -62.2 | 0 | 0 | 0 | 113.8 | N1188 | D1186-N1188 PolarHBondContact O-N 3.45Š| ||
| 1187 | T | 55.5 | Low | 71.4 | Confident | 48 Ų | 48 | 65.4 Ų | 65.4 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | trans | -60.8 | 117.6 | 164.2 | 36.2 | 0 | 0 | 0 | 0 | 109.8 | K1230 | T1187-K1230 WeakPolarHBondContact O-CD 3.49Å; T1187-K1230 WeakPolarHBondContact O-CE 3.41Å; T1187-K1230 PolarHBondContact O-NZ 2.93Å; T1187-K1230 VanDerWaalsContact OG1-CE 3.27Å; T1187-K1230 WeakPolarHBondContact OG1-CE 3.43Å; T1187-K1230 PolarHBondContact OG1-NZ 3.42Å | ||
| 1188 | N | 63.5 | Low | 71.7 | Confident | 89 Ų | 89 | 63.9 Ų | 63.9 | 48% | 0.476 | 36% | 0.363 | S | S | . | . | trans | -81.9 | 153.7 | -178.7 | -80.7 | -67.6 | 0 | 0 | 0 | 112.5 | E1142 D1186 S1190 S1191 | E1142-N1188 WeakPolarHBondContact OE1-CA 3.34Å; E1142-N1188 WeakPolarHBondContact OE1-CB 3.32Å; E1142-N1188 PolarHBondContact OE1-N 2.94Å; E1142-N1188 VanDerWaalsContact OE2-CB 3.31Å; E1142-N1188 WeakPolarHBondContact OE2-CB 3.5Å; E1142-N1188 PolarHBondContact OE2-ND2 3.2Å; D1186-N1188 PolarHBondContact O-N 3.45Å; N1188-S1190 WeakPolarHBondContact CB-OG 3.3Å; N1188-S1190 PolarHBondContact O-N 3.05Å; N1188-S1191 PolarHBondContact O-N 3.02Å | ||
| 1189 | E | 77.6 | Confident | 72.2 | Confident | 75 Ų | 75 | 63.2 Ų | 63.2 | 35% | 0.35 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.5 | -27.7 | 173.9 | -159.4 | -171.8 | -158 | 0 | 0 | 112.9 | R1193 D1231 | E1189-R1193 WeakPolarHBondContact O-CB 3.49Å; E1189-R1193 VanDerWaalsContact O-CG 3.27Å; E1189-R1193 WeakPolarHBondContact O-CG 3.38Å; E1189-R1193 PolarHBondContact O-N 2.71Å; E1189-R1193 IonicContact OE1-CZ 2.88Å; E1189-R1193 VanDerWaalsContact OE1-CZ 3.31Å; E1189-R1193 IonicContact OE1-NH1 2.81Å; E1189-R1193 IonicContact OE1-NH2 3.52Å; E1189-R1193 PolarHBondContact OE1-NH2 3.46Å; E1189-R1193 IonicContact OE2-CZ 3.94Å; E1189-R1193 IonicContact OE2-NH1 2.72Å; E1189-R1193 PolarHBondContact OE2-NH1 3.01Å; E1189-R1193 IonicContact OE2-NH2 2.92Å; E1189-R1193 PolarHBondContact OE2-NH2 2.87Å; E1189-D1231 HydrophobicContact CG-CB 4.09Å |
| 1190 | S | 80.5 | Confident | 72.9 | Confident | 53 Ų | 53 | 67.3 Ų | 67.3 | 37% | 0.371 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 177.8 | 47 | 0 | 0 | 0 | 0 | 113.4 | M1146 N1188 R1193 L1194 | M1146-S1190 PolarHBondContact SD-OG 3Å; M1146-S1190 VanDerWaalsContact SD-OG 3.4Å; N1188-S1190 WeakPolarHBondContact CB-OG 3.3Å; N1188-S1190 PolarHBondContact O-N 3.05Å; S1190-R1193 PolarHBondContact O-N 3.04Å; S1190-L1194 PolarHBondContact O-N 3.16Å; S1190-L1194 VanDerWaalsContact O-N 3.07Å |
| 1191 | S | 83.4 | Confident | 74 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 6% | 0.056 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.3 | -46.2 | -179.8 | -172.6 | 0 | 0 | 0 | 0 | 110.8 | E1142 N1188 R1193 L1194 A1195 | E1142-S1191 VanDerWaalsContact OE1-CB 3.31Å; E1142-S1191 WeakPolarHBondContact OE1-CB 3.18Å; N1188-S1191 PolarHBondContact O-N 3.02Å; S1191-R1193 PolarHBondContact O-N 3.02Å; S1191-L1194 PolarHBondContact O-N 3.38Å; S1191-A1195 WeakPolarHBondContact O-CB 3.48Å; S1191-A1195 PolarHBondContact O-N 3.02Å |
| 1192 | V | 87.5 | Confident | 75.8 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 176 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | L1194 F1196 F1225 Q1228 K1230 I1234 | V1192-L1194 PolarHBondContact O-N 2.91Å; V1192-F1196 WeakPolarHBondContact O-CB 3.39Å; V1192-F1196 PolarHBondContact O-N 3.49Å; V1192-F1225 HydrophobicContact CG1-CD1 4.16Å; V1192-F1225 HydrophobicContact CG1-CE1 3.91Å; V1192-Q1228 HydrophobicContact CG1-CG 3.88Å; V1192-K1230 HydrophobicContact CG2-CB 4.24Å; V1192-K1230 HydrophobicContact CG2-CG 4.36Å; V1192-I1234 HydrophobicContact CG1-CD1 4.05Å |
| 1193 | R | 89.6 | Confident | 77.7 | Confident | 111 Ų | 111 | 56.9 Ų | 56.9 | 42% | 0.419 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 175.1 | -81.7 | 170.4 | 172.8 | 151.1 | 7.8 | 113 | E1189 S1190 S1191 Q1197 D1231 I1234 | E1189-R1193 WeakPolarHBondContact O-CB 3.49Å; E1189-R1193 VanDerWaalsContact O-CG 3.27Å; E1189-R1193 WeakPolarHBondContact O-CG 3.38Å; E1189-R1193 PolarHBondContact O-N 2.71Å; E1189-R1193 IonicContact OE1-CZ 2.88Å; E1189-R1193 VanDerWaalsContact OE1-CZ 3.31Å; E1189-R1193 IonicContact OE1-NH1 2.81Å; E1189-R1193 IonicContact OE1-NH2 3.52Å; E1189-R1193 PolarHBondContact OE1-NH2 3.46Å; E1189-R1193 IonicContact OE2-CZ 3.94Å; E1189-R1193 IonicContact OE2-NH1 2.72Å; E1189-R1193 PolarHBondContact OE2-NH1 3.01Å; E1189-R1193 IonicContact OE2-NH2 2.92Å; E1189-R1193 PolarHBondContact OE2-NH2 2.87Å; S1190-R1193 PolarHBondContact O-N 3.04Å; S1191-R1193 PolarHBondContact O-N 3.02Å; R1193-Q1197 PolarHBondContact O-N 3.05Å; R1193-D1231 IonicContact CZ-OD2 2.65Å; R1193-D1231 VanDerWaalsContact CZ-OD2 3.26Å; R1193-D1231 IonicContact NE-OD2 3.82Å; R1193-D1231 PolarHBondContact NE-OD2 3.21Å; R1193-D1231 IonicContact NH2-OD2 3.84Å; R1193-D1231 PolarHBondContact NH2-OD2 3.48Å; R1193-I1234 HydrophobicContact CB-CD1 4.3Å; R1193-I1234 HydrophobicContact CG-CD1 3.72Å |
| 1194 | L | 89.6 | Confident | 79.9 | Confident | 41 Ų | 41 | 53 Ų | 53 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.9 | -42 | -177.5 | -162.6 | 66 | 0 | 0 | 0 | 111.5 | M1146 L1149 D1150 L1153 S1190 S1191 V1192 Q1197 A1198 | M1146-L1194 HydrophobicContact CB-CD2 4.49Å; M1146-L1194 WeakPolarHBondContact O-CD2 3.47Å; L1149-L1194 HydrophobicContact CB-CD2 3.85Å; L1149-L1194 HydrophobicContact CB-CG 4.08Å; L1149-L1194 HydrophobicContact CD1-CB 4.47Å; D1150-L1194 HydrophobicContact CB-CD2 4.36Å; L1153-L1194 HydrophobicContact CD1-CD1 3.35Å; L1153-L1194 HydrophobicContact CD1-CG 3.72Å; S1190-L1194 PolarHBondContact O-N 3.16Å; S1190-L1194 VanDerWaalsContact O-N 3.07Å; S1191-L1194 PolarHBondContact O-N 3.38Å; V1192-L1194 PolarHBondContact O-N 2.91Å; L1194-Q1197 WeakPolarHBondContact O-CB 3.29Å; L1194-Q1197 PolarHBondContact O-N 3.39Å; L1194-A1198 PolarHBondContact O-N 3.16Å |
| 1195 | A | 91.9 | Very high | 82 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1149 S1191 Q1197 A1198 L1199 F1225 | L1149-A1195 HydrophobicContact CD1-CB 3.83Å; L1149-A1195 HydrophobicContact CD2-CB 3.72Å; L1149-A1195 HydrophobicContact CG-CB 4.41Å; S1191-A1195 WeakPolarHBondContact O-CB 3.48Å; S1191-A1195 PolarHBondContact O-N 3.02Å; A1195-Q1197 VanDerWaalsContact C-N 3.32Å; A1195-Q1197 PolarHBondContact O-N 3.41Å; A1195-A1198 WeakPolarHBondContact O-CB 3.16Å; A1195-A1198 PolarHBondContact O-N 3.09Å; A1195-A1198 VanDerWaalsContact O-N 3.16Å; A1195-L1199 PolarHBondContact O-N 3.28Å; A1195-F1225 HydrophobicContact CB-CE1 4.07Å; A1195-F1225 HydrophobicContact CB-CZ 3.57Å |
| 1196 | F | 93.6 | Very high | 84 | Confident | 13 Ų | 13 | 47.3 Ų | 47.3 | 6% | 0.057 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.9 | -32.4 | 174.8 | -172.6 | -112.7 | 0 | 0 | 0 | 112.7 | V1192 A1198 L1199 K1200 F1225 I1234 A1238 N1241 | V1192-F1196 WeakPolarHBondContact O-CB 3.39Å; V1192-F1196 PolarHBondContact O-N 3.49Å; F1196-A1198 VanDerWaalsContact C-N 3.27Å; F1196-A1198 PolarHBondContact O-N 2.9Å; F1196-L1199 HydrophobicContact CD2-CD2 4.46Å; F1196-L1199 PolarHBondContact O-N 3.46Å; F1196-K1200 HydrophobicContact CE1-CB 4.5Å; F1196-K1200 HydrophobicContact CE1-CD 4.29Å; F1196-K1200 VanDerWaalsContact O-CB 3.28Å; F1196-K1200 WeakPolarHBondContact O-CB 3.3Å; F1196-K1200 PolarHBondContact O-N 3.26Å; F1196-F1225 HydrophobicContact CB-CD1 3.77Å; F1196-F1225 HydrophobicContact CB-CE1 3.83Å; F1196-F1225 HydrophobicContact CD2-CB 3.88Å; F1196-F1225 AromaticContact CD2-CD1 3.84Å; F1196-F1225 HydrophobicContact CD2-CD1 3.84Å; F1196-F1225 AromaticContact CD2-CG 3.81Å; F1196-F1225 HydrophobicContact CD2-CG 3.81Å; F1196-F1225 HydrophobicContact CE2-CB 4.25Å; F1196-F1225 HydrophobicContact CG-CD1 4.2Å; F1196-I1234 HydrophobicContact CB-CD1 4.02Å; F1196-I1234 HydrophobicContact CB-CG1 4.37Å; F1196-I1234 HydrophobicContact CB-CG2 3.8Å; F1196-I1234 HydrophobicContact CD1-CB 4.25Å; F1196-I1234 HydrophobicContact CD1-CD1 4.42Å; F1196-I1234 HydrophobicContact CD1-CG1 3.9Å; F1196-I1234 HydrophobicContact CD1-CG2 3.81Å; F1196-I1234 HydrophobicContact CD2-CG2 3.73Å; F1196-I1234 HydrophobicContact CE1-CG2 4.32Å; F1196-I1234 HydrophobicContact CE2-CG2 4.26Å; F1196-I1234 HydrophobicContact CG-CB 4.39Å; F1196-I1234 HydrophobicContact CG-CD1 4.46Å; F1196-I1234 HydrophobicContact CG-CG1 4.27Å; F1196-I1234 HydrophobicContact CG-CG2 3.48Å; F1196-I1234 VanDerWaalsContact CG-CG2 3.48Å; F1196-A1238 HydrophobicContact CE2-CB 3.86Å; F1196-A1238 HydrophobicContact CZ-CB 4.33Å; F1196-N1241 WeakPolarHBondContact CE2-ND2 3.32Å; F1196-N1241 WeakPolarHBondContact CZ-ND2 3.28Å |
| 1197 | Q | 93 | Very high | 85.8 | Confident | 100 Ų | 100 | 42 Ų | 42 | 47% | 0.467 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.7 | -38.5 | 172.3 | -168.9 | -177.4 | 19.3 | 0 | 0 | 111.4 | L1153 R1193 L1194 A1195 L1201 | L1153-Q1197 HydrophobicContact CD1-CB 4.49Å; L1153-Q1197 HydrophobicContact CD2-CB 4.4Å; L1153-Q1197 HydrophobicContact CD2-CG 4.2Å; R1193-Q1197 PolarHBondContact O-N 3.05Å; L1194-Q1197 WeakPolarHBondContact O-CB 3.29Å; L1194-Q1197 PolarHBondContact O-N 3.39Å; A1195-Q1197 VanDerWaalsContact C-N 3.32Å; A1195-Q1197 PolarHBondContact O-N 3.41Å; Q1197-L1201 PolarHBondContact O-N 2.79Å |
| 1198 | A | 92.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.2 | -48.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1152 L1153 L1156 I1175 L1194 A1195 F1196 K1200 L1201 V1202 | V1152-A1198 HydrophobicContact CG1-CB 4.46Å; L1153-A1198 HydrophobicContact CD2-CB 3.83Å; L1153-A1198 HydrophobicContact CG-CB 4Å; L1156-A1198 HydrophobicContact CD1-CB 3.95Å; I1175-A1198 HydrophobicContact CD1-CB 3.65Å; I1175-A1198 HydrophobicContact CG1-CB 4.02Å; L1194-A1198 PolarHBondContact O-N 3.16Å; A1195-A1198 WeakPolarHBondContact O-CB 3.16Å; A1195-A1198 PolarHBondContact O-N 3.09Å; A1195-A1198 VanDerWaalsContact O-N 3.16Å; F1196-A1198 VanDerWaalsContact C-N 3.27Å; F1196-A1198 PolarHBondContact O-N 2.9Å; A1198-K1200 VanDerWaalsContact C-N 3.34Å; A1198-K1200 PolarHBondContact O-N 3.33Å; A1198-L1201 WeakPolarHBondContact O-CB 3.48Å; A1198-L1201 PolarHBondContact O-N 3.23Å; A1198-L1201 VanDerWaalsContact O-N 3.16Å; A1198-V1202 PolarHBondContact O-N 3.42Å; A1198-V1202 VanDerWaalsContact O-N 3.14Å |
| 1199 | L | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | 179.3 | -166.8 | 62.6 | 0 | 0 | 0 | 112.4 | F1172 I1175 A1195 F1196 L1201 V1202 G1203 F1218 T1221 D1222 F1225 | F1172-L1199 HydrophobicContact CD1-CD1 4.25Å; F1172-L1199 HydrophobicContact CE1-CD1 4.16Å; I1175-L1199 HydrophobicContact CG2-CB 3.93Å; I1175-L1199 HydrophobicContact CG2-CD1 4.2Å; I1175-L1199 HydrophobicContact CG2-CG 4.46Å; A1195-L1199 PolarHBondContact O-N 3.28Å; F1196-L1199 HydrophobicContact CD2-CD2 4.46Å; F1196-L1199 PolarHBondContact O-N 3.46Å; L1199-L1201 VanDerWaalsContact C-N 3.29Å; L1199-L1201 PolarHBondContact O-N 3.29Å; L1199-V1202 WeakPolarHBondContact O-CB 3.48Å; L1199-V1202 PolarHBondContact O-N 2.97Å; L1199-G1203 PolarHBondContact O-N 3.31Å; L1199-F1218 HydrophobicContact CD1-CD2 3.76Å; L1199-F1218 HydrophobicContact CD1-CE2 3.62Å; L1199-F1218 HydrophobicContact CD1-CZ 4.4Å; L1199-F1218 HydrophobicContact CG-CE2 4.01Å; L1199-F1218 HydrophobicContact CG-CZ 4.42Å; L1199-F1218 WeakPolarHBondContact O-CE2 3.38Å; L1199-T1221 HydrophobicContact CD1-CG2 4.1Å; L1199-T1221 HydrophobicContact CD2-CG2 4.04Å; L1199-D1222 HydrophobicContact CD2-CB 3.82Å; L1199-F1225 HydrophobicContact CD2-CD2 3.53Å; L1199-F1225 HydrophobicContact CD2-CE2 4.09Å; L1199-F1225 HydrophobicContact CD2-CG 4.24Å |
| 1200 | K | 91.6 | Very high | 88.6 | Confident | 108 Ų | 108 | 39.8 Ų | 39.8 | 47% | 0.47 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.3 | -32.3 | 177.5 | -172.9 | 173.1 | -178 | 175.5 | 0 | 112.7 | F1196 A1198 G1203 A1204 | F1196-K1200 HydrophobicContact CE1-CB 4.5Å; F1196-K1200 HydrophobicContact CE1-CD 4.29Å; F1196-K1200 VanDerWaalsContact O-CB 3.28Å; F1196-K1200 WeakPolarHBondContact O-CB 3.3Å; F1196-K1200 PolarHBondContact O-N 3.26Å; A1198-K1200 VanDerWaalsContact C-N 3.34Å; A1198-K1200 PolarHBondContact O-N 3.33Å; K1200-G1203 PolarHBondContact O-N 3.09Å; K1200-A1204 WeakPolarHBondContact O-CB 3.5Å; K1200-A1204 PolarHBondContact O-N 3.12Å |
| 1201 | L | 90.3 | Very high | 88.9 | Confident | 39 Ų | 39 | 40.8 Ų | 40.8 | 20% | 0.204 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.6 | -42.3 | 173.8 | -175.9 | 58.8 | 0 | 0 | 0 | 111.2 | L1156 R1157 Q1197 A1198 L1199 G1203 A1204 D1205 | L1156-L1201 HydrophobicContact CB-CD2 3.69Å; L1156-L1201 HydrophobicContact CB-CG 4.43Å; R1157-L1201 HydrophobicContact CG-CD2 3.87Å; Q1197-L1201 PolarHBondContact O-N 2.79Å; A1198-L1201 WeakPolarHBondContact O-CB 3.48Å; A1198-L1201 PolarHBondContact O-N 3.23Å; A1198-L1201 VanDerWaalsContact O-N 3.16Å; L1199-L1201 VanDerWaalsContact C-N 3.29Å; L1199-L1201 PolarHBondContact O-N 3.29Å; L1201-G1203 VanDerWaalsContact C-N 3.34Å; L1201-G1203 PolarHBondContact O-N 3.36Å; L1201-A1204 PolarHBondContact O-N 3.39Å; L1201-D1205 VanDerWaalsContact CD1-OD2 3.31Å; L1201-D1205 WeakPolarHBondContact CD1-OD2 3.4Å; L1201-D1205 PolarHBondContact O-N 3.27Å |
| 1202 | V | 90.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -44.5 | 172.2 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | L1156 W1168 F1172 A1198 L1199 A1204 F1206 L1207 L1210 F1218 | L1156-V1202 HydrophobicContact CD1-CG2 3.88Å; L1156-V1202 HydrophobicContact CD2-CG2 3.8Å; W1168-V1202 HydrophobicContact CH2-CG1 4.2Å; W1168-V1202 HydrophobicContact CH2-CG2 4.29Å; W1168-V1202 HydrophobicContact CZ3-CB 4.48Å; W1168-V1202 HydrophobicContact CZ3-CG1 3.88Å; W1168-V1202 HydrophobicContact CZ3-CG2 3.72Å; F1172-V1202 HydrophobicContact CE1-CG1 4.07Å; F1172-V1202 HydrophobicContact CZ-CG1 4.08Å; A1198-V1202 PolarHBondContact O-N 3.42Å; A1198-V1202 VanDerWaalsContact O-N 3.14Å; L1199-V1202 WeakPolarHBondContact O-CB 3.48Å; L1199-V1202 PolarHBondContact O-N 2.97Å; V1202-A1204 PolarHBondContact O-N 3.39Å; V1202-F1206 HydrophobicContact CG1-CB 4.13Å; V1202-F1206 PolarHBondContact O-N 3.11Å; V1202-F1206 VanDerWaalsContact O-N 3.07Å; V1202-L1207 PolarHBondContact O-N 2.83Å; V1202-L1210 HydrophobicContact CG1-CD1 4.12Å; V1202-L1210 HydrophobicContact CG1-CD2 4.49Å; V1202-F1218 HydrophobicContact CB-CD2 4.37Å; V1202-F1218 HydrophobicContact CB-CE2 4.07Å; V1202-F1218 HydrophobicContact CG1-CD2 3.84Å; V1202-F1218 HydrophobicContact CG1-CE2 3.97Å |
| 1203 | G | 87.7 | Confident | 88.7 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 13% | 0.134 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.4 | -19.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1199 K1200 L1201 L1207 | L1199-G1203 PolarHBondContact O-N 3.31Å; K1200-G1203 PolarHBondContact O-N 3.09Å; L1201-G1203 VanDerWaalsContact C-N 3.34Å; L1201-G1203 PolarHBondContact O-N 3.36Å; G1203-L1207 VanDerWaalsContact O-CD1 3.26Å; G1203-L1207 WeakPolarHBondContact O-CD1 3.31Å; G1203-L1207 WeakPolarHBondContact O-CG 3.43Å |
| 1204 | A | 86.8 | Confident | 88.7 | Confident | 75 Ų | 75 | 38.7 Ų | 38.7 | 62% | 0.62 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -92.9 | -51.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1200 L1201 V1202 | K1200-A1204 WeakPolarHBondContact O-CB 3.5Å; K1200-A1204 PolarHBondContact O-N 3.12Å; L1201-A1204 PolarHBondContact O-N 3.39Å; V1202-A1204 PolarHBondContact O-N 3.39Å |
| 1205 | D | 86.5 | Confident | 88.8 | Confident | 76 Ų | 76 | 37.1 Ų | 37.1 | 41% | 0.406 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -106.4 | -16.1 | -166.1 | -74.2 | -45 | 0 | 0 | 0 | 114.6 | L1201 | L1201-D1205 VanDerWaalsContact CD1-OD2 3.31Å; L1201-D1205 WeakPolarHBondContact CD1-OD2 3.4Å; L1201-D1205 PolarHBondContact O-N 3.27Å |
| 1206 | F | 88.6 | Confident | 88.7 | Confident | 17 Ų | 17 | 39.9 Ų | 39.9 | 8% | 0.075 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | -4.9 | -166.6 | -65.2 | -92.8 | 0 | 0 | 0 | 115.7 | L1156 I1163 W1168 V1202 S1208 Q1209 | L1156-F1206 HydrophobicContact CD2-CE2 4.46Å; I1163-F1206 HydrophobicContact CD1-CD1 4.13Å; I1163-F1206 HydrophobicContact CD1-CE1 3.57Å; I1163-F1206 HydrophobicContact CD1-CZ 4.03Å; I1163-F1206 HydrophobicContact CG1-CE1 4Å; W1168-F1206 HydrophobicContact CH2-CB 3.8Å; W1168-F1206 AromaticContact CH2-CD1 3.74Å; W1168-F1206 HydrophobicContact CH2-CD1 3.74Å; W1168-F1206 HydrophobicContact CH2-CE1 4.46Å; W1168-F1206 AromaticContact CH2-CG 3.81Å; W1168-F1206 HydrophobicContact CH2-CG 3.81Å; W1168-F1206 HydrophobicContact CZ2-CB 4.1Å; W1168-F1206 AromaticContact CZ2-CD1 3.9Å; W1168-F1206 HydrophobicContact CZ2-CD1 3.9Å; W1168-F1206 HydrophobicContact CZ2-CG 4.27Å; V1202-F1206 HydrophobicContact CG1-CB 4.13Å; V1202-F1206 PolarHBondContact O-N 3.11Å; V1202-F1206 VanDerWaalsContact O-N 3.07Å; F1206-S1208 PolarHBondContact O-N 2.79Å; F1206-Q1209 WeakPolarHBondContact O-CB 3.44Å; F1206-Q1209 PolarHBondContact O-N 3.02Å |
| 1207 | L | 88 | Confident | 88.6 | Confident | 15 Ų | 15 | 42.9 Ų | 42.9 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -53.1 | -32.4 | -178.4 | -72.2 | -178.7 | 0 | 0 | 0 | 114.3 | V1202 G1203 Q1209 L1210 L1215 F1218 V1245 F1248 | V1202-L1207 PolarHBondContact O-N 2.83Å; G1203-L1207 VanDerWaalsContact O-CD1 3.26Å; G1203-L1207 WeakPolarHBondContact O-CD1 3.31Å; G1203-L1207 WeakPolarHBondContact O-CG 3.43Å; L1207-Q1209 VanDerWaalsContact C-N 3.26Å; L1207-Q1209 PolarHBondContact O-N 2.66Å; L1207-L1210 HydrophobicContact CD2-CD1 4.11Å; L1207-L1210 PolarHBondContact O-N 3.47Å; L1207-L1215 HydrophobicContact CD2-CD2 4.25Å; L1207-F1218 HydrophobicContact CD2-CD1 4.33Å; L1207-F1218 HydrophobicContact CD2-CE1 4.26Å; L1207-F1218 HydrophobicContact CD2-CZ 4.37Å; L1207-V1245 HydrophobicContact CD1-CG2 4.47Å; L1207-V1245 HydrophobicContact CD2-CG2 4.32Å; L1207-F1248 HydrophobicContact CB-CD1 4.46Å; L1207-F1248 HydrophobicContact CB-CD2 4.34Å; L1207-F1248 HydrophobicContact CB-CE2 4.39Å; L1207-F1248 HydrophobicContact CB-CG 4.38Å; L1207-F1248 HydrophobicContact CB-CZ 4.48Å; L1207-F1248 HydrophobicContact CD1-CB 4.27Å; L1207-F1248 HydrophobicContact CD1-CG 4.35Å |
| 1208 | S | 84.3 | Confident | 88.6 | Confident | 97 Ų | 97 | 38.1 Ų | 38.1 | 68% | 0.678 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -75.4 | -7 | 177.1 | 53.6 | 0 | 0 | 0 | 0 | 115 | F1206 | F1206-S1208 PolarHBondContact O-N 2.79Š|
| 1209 | Q | 85.3 | Confident | 88.8 | Confident | 54 Ų | 54 | 38.1 Ų | 38.1 | 25% | 0.252 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -103.1 | -9.8 | 177.2 | -58.2 | 175.7 | 40.1 | 0 | 0 | 112.6 | R1161 F1206 L1207 | R1161-Q1209 PolarHBondContact O-NE2 3.42Å; R1161-Q1209 PolarHBondContact O-OE1 3.4Å; F1206-Q1209 WeakPolarHBondContact O-CB 3.44Å; F1206-Q1209 PolarHBondContact O-N 3.02Å; L1207-Q1209 VanDerWaalsContact C-N 3.26Å; L1207-Q1209 PolarHBondContact O-N 2.66Å |
| 1210 | L | 87.3 | Confident | 88.8 | Confident | 14 Ų | 14 | 42.6 Ų | 42.6 | 7% | 0.073 | 25% | 0.248 | C | C | . | . | trans | -83.6 | 128.8 | -179.2 | -57.7 | -176.4 | 0 | 0 | 0 | 110.5 | W1168 F1172 V1202 L1207 C1214 L1215 F1218 | W1168-L1210 HydrophobicContact CD2-CD2 3.49Å; W1168-L1210 VanDerWaalsContact CD2-CD2 3.49Å; W1168-L1210 VanDerWaalsContact CE2-CD2 3.41Å; W1168-L1210 HydrophobicContact CE3-CD2 4.02Å; W1168-L1210 HydrophobicContact CG-CD2 3.74Å; W1168-L1210 HydrophobicContact CH2-CD2 4.36Å; W1168-L1210 HydrophobicContact CZ2-CD2 3.87Å; W1168-L1210 HydrophobicContact CZ3-CD2 4.43Å; F1172-L1210 HydrophobicContact CE2-CD2 4.44Å; F1172-L1210 HydrophobicContact CZ-CD1 4.13Å; F1172-L1210 HydrophobicContact CZ-CD2 4.15Å; V1202-L1210 HydrophobicContact CG1-CD1 4.12Å; V1202-L1210 HydrophobicContact CG1-CD2 4.49Å; L1207-L1210 HydrophobicContact CD2-CD1 4.11Å; L1207-L1210 PolarHBondContact O-N 3.47Å; L1210-C1214 HydrophobicContact CB-CB 3.97Å; L1210-C1214 HydrophobicContact CD2-CB 4.12Å; L1210-L1215 HydrophobicContact CB-CD2 3.89Å; L1210-L1215 HydrophobicContact CB-CG 3.76Å; L1210-L1215 HydrophobicContact CD1-CD2 4.02Å; L1210-F1218 HydrophobicContact CD1-CB 4.08Å; L1210-F1218 HydrophobicContact CD1-CD2 4.31Å; L1210-F1218 HydrophobicContact CD1-CG 4.31Å | ||
| 1211 | D | 85.3 | Confident | 88.9 | Confident | 73 Ų | 73 | 38 Ų | 38 | 39% | 0.39 | 23% | 0.229 | S | C | . | . | trans | -73.9 | 175.5 | 170.4 | 69.4 | 40.7 | 0 | 0 | 0 | 112.5 | A1213 C1214 L1215 | D1211-A1213 PolarHBondContact O-N 2.78Å; D1211-A1213 VanDerWaalsContact O-N 3.16Å; D1211-A1213 WeakPolarHBondContact OD1-CA 3.38Å; D1211-A1213 WeakPolarHBondContact OD1-CB 3.42Å; D1211-A1213 PolarHBondContact OD1-N 2.81Å; D1211-C1214 VanDerWaalsContact CG-SG 3.59Å; D1211-C1214 PolarHBondContact O-N 2.76Å; D1211-C1214 PolarHBondContact OD1-N 3.07Å; D1211-C1214 PolarHBondContact OD1-SG 2.82Å; D1211-L1215 WeakPolarHBondContact O-CB 3.35Å; D1211-L1215 WeakPolarHBondContact O-CG 3.27Å; D1211-L1215 PolarHBondContact O-N 2.75Å | ||
| 1212 | G | 83.5 | Confident | 89.1 | Confident | 22 Ų | 22 | 36.1 Ų | 36.1 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | T1266 L1271 | G1212-T1266 WeakPolarHBondContact O-CB 3.45Å; G1212-T1266 PolarHBondContact O-OG1 3.45Å; G1212-L1271 WeakPolarHBondContact O-CD2 3.45Å |
| 1213 | A | 84.6 | Confident | 89.2 | Confident | 51 Ų | 51 | 36.8 Ų | 36.8 | 42% | 0.421 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -41.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D1211 L1215 Q1216 Q1217 | D1211-A1213 PolarHBondContact O-N 2.78Å; D1211-A1213 VanDerWaalsContact O-N 3.16Å; D1211-A1213 WeakPolarHBondContact OD1-CA 3.38Å; D1211-A1213 WeakPolarHBondContact OD1-CB 3.42Å; D1211-A1213 PolarHBondContact OD1-N 2.81Å; A1213-L1215 VanDerWaalsContact C-N 3.32Å; A1213-L1215 PolarHBondContact O-N 2.97Å; A1213-Q1216 PolarHBondContact O-N 2.95Å; A1213-Q1216 VanDerWaalsContact O-N 3.16Å; A1213-Q1217 PolarHBondContact O-N 3.08Å |
| 1214 | C | 89.2 | Confident | 89.4 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.6 | -36.7 | 174.9 | -62.2 | 0 | 0 | 0 | 0 | 112 | W1168 F1172 L1210 D1211 Q1217 F1218 | W1168-C1214 HydrophobicContact CB-CB 4.28Å; F1172-C1214 HydrophobicContact CE2-CB 4.38Å; F1172-C1214 WeakPolarHBondContact CE2-O 3.11Å; L1210-C1214 HydrophobicContact CB-CB 3.97Å; L1210-C1214 HydrophobicContact CD2-CB 4.12Å; D1211-C1214 VanDerWaalsContact CG-SG 3.59Å; D1211-C1214 PolarHBondContact O-N 2.76Å; D1211-C1214 PolarHBondContact OD1-N 3.07Å; D1211-C1214 PolarHBondContact OD1-SG 2.82Å; C1214-Q1217 PolarHBondContact O-N 3.4Å; C1214-F1218 WeakPolarHBondContact O-CB 3.17Å; C1214-F1218 PolarHBondContact O-N 2.66Å |
| 1215 | L | 90.5 | Very high | 89.6 | Confident | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.2 | -38.4 | 172.6 | -77.3 | 169 | 0 | 0 | 0 | 112.5 | L1207 L1210 D1211 A1213 M1219 L1271 | L1207-L1215 HydrophobicContact CD2-CD2 4.25Å; L1210-L1215 HydrophobicContact CB-CD2 3.89Å; L1210-L1215 HydrophobicContact CB-CG 3.76Å; L1210-L1215 HydrophobicContact CD1-CD2 4.02Å; D1211-L1215 WeakPolarHBondContact O-CB 3.35Å; D1211-L1215 WeakPolarHBondContact O-CG 3.27Å; D1211-L1215 PolarHBondContact O-N 2.75Å; A1213-L1215 VanDerWaalsContact C-N 3.32Å; A1213-L1215 PolarHBondContact O-N 2.97Å; L1215-M1219 HydrophobicContact CB-CE 4.12Å; L1215-M1219 VanDerWaalsContact O-CE 3.22Å; L1215-M1219 WeakPolarHBondContact O-CE 3.43Å; L1215-M1219 WeakPolarHBondContact O-CG 3.4Å; L1215-M1219 PolarHBondContact O-N 2.84Å; L1215-L1271 HydrophobicContact CB-CD2 4.21Å |
| 1216 | Q | 91.4 | Very high | 89.8 | Confident | 58 Ų | 58 | 32.4 Ų | 32.4 | 27% | 0.271 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.7 | -42.1 | 173.7 | -72.2 | -175.5 | -32.2 | 0 | 0 | 111.4 | A1213 M1219 L1220 T1266 L1271 C1274 | A1213-Q1216 PolarHBondContact O-N 2.95Å; A1213-Q1216 VanDerWaalsContact O-N 3.16Å; Q1216-M1219 PolarHBondContact O-N 2.81Å; Q1216-L1220 WeakPolarHBondContact O-CB 3.25Å; Q1216-L1220 VanDerWaalsContact O-CG 3.26Å; Q1216-L1220 WeakPolarHBondContact O-CG 2.99Å; Q1216-L1220 PolarHBondContact O-N 3.36Å; Q1216-T1266 HydrophobicContact CG-CG2 4.45Å; Q1216-L1271 HydrophobicContact CG-CD2 3.78Å; Q1216-C1274 HydrophobicContact CG-CB 4.42Å |
| 1217 | Q | 90.3 | Very high | 89.9 | Confident | 75 Ų | 75 | 34.4 Ų | 34.4 | 35% | 0.35 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.1 | -43.3 | 175 | -71.1 | -174.2 | -14.2 | 0 | 0 | 112 | P1169 F1172 A1213 C1214 M1219 L1220 T1221 | P1169-Q1217 VanDerWaalsContact CA-OE1 3.32Å; F1172-Q1217 HydrophobicContact CD2-CB 3.72Å; F1172-Q1217 HydrophobicContact CE2-CB 4.33Å; F1172-Q1217 HydrophobicContact CG-CB 4.39Å; A1213-Q1217 PolarHBondContact O-N 3.08Å; C1214-Q1217 PolarHBondContact O-N 3.4Å; Q1217-M1219 PolarHBondContact O-N 2.88Å; Q1217-L1220 PolarHBondContact O-N 3.01Å; Q1217-T1221 PolarHBondContact O-N 3.35Å; Q1217-T1221 PolarHBondContact O-OG1 3.2Å |
| 1218 | F | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.8 | -51.2 | 172.4 | 179.7 | -85.3 | 0 | 0 | 0 | 111.5 | F1172 L1199 V1202 L1207 L1210 C1214 L1220 T1221 D1222 V1245 | F1172-F1218 HydrophobicContact CE1-CB 4.2Å; F1172-F1218 AromaticContact CE1-CD2 3.83Å; F1172-F1218 HydrophobicContact CE1-CD2 3.83Å; F1172-F1218 HydrophobicContact CE2-CB 4.32Å; F1172-F1218 HydrophobicContact CZ-CB 3.85Å; F1172-F1218 HydrophobicContact CZ-CD2 4.03Å; F1172-F1218 HydrophobicContact CZ-CG 4.47Å; L1199-F1218 HydrophobicContact CD1-CD2 3.76Å; L1199-F1218 HydrophobicContact CD1-CE2 3.62Å; L1199-F1218 HydrophobicContact CD1-CZ 4.4Å; L1199-F1218 HydrophobicContact CG-CE2 4.01Å; L1199-F1218 HydrophobicContact CG-CZ 4.42Å; L1199-F1218 WeakPolarHBondContact O-CE2 3.38Å; V1202-F1218 HydrophobicContact CB-CD2 4.37Å; V1202-F1218 HydrophobicContact CB-CE2 4.07Å; V1202-F1218 HydrophobicContact CG1-CD2 3.84Å; V1202-F1218 HydrophobicContact CG1-CE2 3.97Å; L1207-F1218 HydrophobicContact CD2-CD1 4.33Å; L1207-F1218 HydrophobicContact CD2-CE1 4.26Å; L1207-F1218 HydrophobicContact CD2-CZ 4.37Å; L1210-F1218 HydrophobicContact CD1-CB 4.08Å; L1210-F1218 HydrophobicContact CD1-CD2 4.31Å; L1210-F1218 HydrophobicContact CD1-CG 4.31Å; C1214-F1218 WeakPolarHBondContact O-CB 3.17Å; C1214-F1218 PolarHBondContact O-N 2.66Å; F1218-L1220 VanDerWaalsContact C-N 3.34Å; F1218-L1220 PolarHBondContact O-N 3.27Å; F1218-T1221 PolarHBondContact O-N 2.75Å; F1218-D1222 HydrophobicContact CE1-CB 4.23Å; F1218-D1222 VanDerWaalsContact O-CB 3.26Å; F1218-D1222 WeakPolarHBondContact O-CB 3.37Å; F1218-D1222 PolarHBondContact O-N 3.05Å; F1218-V1245 HydrophobicContact CD1-CG2 3.89Å; F1218-V1245 HydrophobicContact CE1-CG2 3.58Å |
| 1219 | M | 94.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.1 | -38.6 | 179.7 | -75.3 | -178 | -96.4 | 0 | 0 | 112.8 | L1215 Q1216 Q1217 A1223 L1242 V1245 L1271 L1275 | L1215-M1219 HydrophobicContact CB-CE 4.12Å; L1215-M1219 VanDerWaalsContact O-CE 3.22Å; L1215-M1219 WeakPolarHBondContact O-CE 3.43Å; L1215-M1219 WeakPolarHBondContact O-CG 3.4Å; L1215-M1219 PolarHBondContact O-N 2.84Å; Q1216-M1219 PolarHBondContact O-N 2.81Å; Q1217-M1219 PolarHBondContact O-N 2.88Å; M1219-A1223 VanDerWaalsContact O-CB 3.27Å; M1219-A1223 WeakPolarHBondContact O-CB 3.18Å; M1219-A1223 PolarHBondContact O-N 3.49Å; M1219-L1242 HydrophobicContact CB-CD2 4.3Å; M1219-L1242 HydrophobicContact CG-CD2 4.25Å; M1219-V1245 HydrophobicContact CE-CG1 4.09Å; M1219-V1245 HydrophobicContact CG-CG1 3.95Å; M1219-V1245 HydrophobicContact SD-CG1 3.79Å; M1219-L1271 HydrophobicContact CE-CB 4.49Å; M1219-L1271 HydrophobicContact CE-CD2 4.01Å; M1219-L1275 HydrophobicContact SD-CB 3.68Å; M1219-L1275 HydrophobicContact SD-CD1 4.03Å; M1219-L1275 HydrophobicContact SD-CG 4.35Å |
| 1220 | L | 94.1 | Very high | 89.7 | Confident | 94 Ų | 94 | 36.5 Ų | 36.5 | 49% | 0.492 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.5 | -43.1 | 176.8 | -71.6 | 167.3 | 0 | 0 | 0 | 112 | Q1216 Q1217 F1218 A1223 Q1224 | Q1216-L1220 WeakPolarHBondContact O-CB 3.25Å; Q1216-L1220 VanDerWaalsContact O-CG 3.26Å; Q1216-L1220 WeakPolarHBondContact O-CG 2.99Å; Q1216-L1220 PolarHBondContact O-N 3.36Å; Q1217-L1220 PolarHBondContact O-N 3.01Å; F1218-L1220 VanDerWaalsContact C-N 3.34Å; F1218-L1220 PolarHBondContact O-N 3.27Å; L1220-A1223 WeakPolarHBondContact O-CB 3.42Å; L1220-A1223 PolarHBondContact O-N 3.44Å; L1220-Q1224 WeakPolarHBondContact O-CG 3.18Å; L1220-Q1224 PolarHBondContact O-N 2.93Å |
| 1221 | T | 93.3 | Very high | 89.7 | Confident | 11 Ų | 11 | 36.3 Ų | 36.3 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67 | -42.7 | 176.1 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | I1175 L1199 Q1217 F1218 A1223 Q1224 F1225 | I1175-T1221 HydrophobicContact CG2-CG2 3.91Å; L1199-T1221 HydrophobicContact CD1-CG2 4.1Å; L1199-T1221 HydrophobicContact CD2-CG2 4.04Å; Q1217-T1221 PolarHBondContact O-N 3.35Å; Q1217-T1221 PolarHBondContact O-OG1 3.2Å; F1218-T1221 PolarHBondContact O-N 2.75Å; T1221-A1223 VanDerWaalsContact C-N 3.31Å; T1221-A1223 PolarHBondContact O-N 3.17Å; T1221-Q1224 WeakPolarHBondContact O-CA 3.49Å; T1221-Q1224 VanDerWaalsContact O-CB 3.31Å; T1221-Q1224 WeakPolarHBondContact O-CB 3.35Å; T1221-Q1224 PolarHBondContact O-N 2.66Å; T1221-F1225 HydrophobicContact CG2-CD2 4.17Å; T1221-F1225 HydrophobicContact CG2-CE2 4.01Å; T1221-F1225 WeakPolarHBondContact O-CD2 3.49Å; T1221-F1225 PolarHBondContact O-N 3.1Å |
| 1222 | D | 94.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.4 | -34.9 | 176.5 | -165.3 | 54.9 | 0 | 0 | 0 | 111.3 | L1199 F1218 Q1224 F1225 G1226 A1238 N1241 L1242 | L1199-D1222 HydrophobicContact CD2-CB 3.82Å; F1218-D1222 HydrophobicContact CE1-CB 4.23Å; F1218-D1222 VanDerWaalsContact O-CB 3.26Å; F1218-D1222 WeakPolarHBondContact O-CB 3.37Å; F1218-D1222 PolarHBondContact O-N 3.05Å; D1222-Q1224 VanDerWaalsContact C-N 3.34Å; D1222-Q1224 PolarHBondContact O-N 3.26Å; D1222-F1225 PolarHBondContact O-N 2.84Å; D1222-G1226 PolarHBondContact O-N 3.39Å; D1222-A1238 WeakPolarHBondContact O-CB 3.12Å; D1222-A1238 VanDerWaalsContact OD2-O 3.1Å; D1222-N1241 WeakPolarHBondContact OD1-CB 3.39Å; D1222-N1241 PolarHBondContact OD1-ND2 3.4Å; D1222-N1241 WeakPolarHBondContact OD2-CB 3.47Å; D1222-L1242 HydrophobicContact CB-CD2 4.14Å; D1222-L1242 WeakPolarHBondContact OD2-CD2 3.32Å; D1222-L1242 VanDerWaalsContact OD2-CG 3.32Å; D1222-L1242 WeakPolarHBondContact OD2-CG 3.28Å; D1222-L1242 PolarHBondContact OD2-N 2.99Å |
| 1223 | A | 92.9 | Very high | 90 | Very high | 15 Ų | 15 | 38 Ų | 38 | 12% | 0.124 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -37.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113 | M1219 L1220 T1221 G1226 S1227 C1278 | M1219-A1223 VanDerWaalsContact O-CB 3.27Å; M1219-A1223 WeakPolarHBondContact O-CB 3.18Å; M1219-A1223 PolarHBondContact O-N 3.49Å; L1220-A1223 WeakPolarHBondContact O-CB 3.42Å; L1220-A1223 PolarHBondContact O-N 3.44Å; T1221-A1223 VanDerWaalsContact C-N 3.31Å; T1221-A1223 PolarHBondContact O-N 3.17Å; A1223-G1226 WeakPolarHBondContact O-CA 3.43Å; A1223-G1226 PolarHBondContact O-N 2.85Å; A1223-G1226 VanDerWaalsContact O-N 3.16Å; A1223-S1227 PolarHBondContact O-N 3.09Å; A1223-C1278 HydrophobicContact CB-CB 3.86Å |
| 1224 | Q | 91.5 | Very high | 90.4 | Very high | 72 Ų | 72 | 36 Ų | 36 | 34% | 0.336 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63 | -40.6 | 172.8 | -66.1 | 169.1 | -33.4 | 0 | 0 | 111.6 | T1179 L1220 T1221 D1222 G1226 S1227 Q1228 | T1179-Q1224 HydrophobicContact CG2-CB 4.42Å; T1179-Q1224 WeakPolarHBondContact OG1-CB 3.48Å; L1220-Q1224 WeakPolarHBondContact O-CG 3.18Å; L1220-Q1224 PolarHBondContact O-N 2.93Å; T1221-Q1224 WeakPolarHBondContact O-CA 3.49Å; T1221-Q1224 VanDerWaalsContact O-CB 3.31Å; T1221-Q1224 WeakPolarHBondContact O-CB 3.35Å; T1221-Q1224 PolarHBondContact O-N 2.66Å; D1222-Q1224 VanDerWaalsContact C-N 3.34Å; D1222-Q1224 PolarHBondContact O-N 3.26Å; Q1224-G1226 VanDerWaalsContact C-N 3.29Å; Q1224-G1226 PolarHBondContact O-N 3.34Å; Q1224-S1227 WeakPolarHBondContact CA-OG 3.28Å; Q1224-S1227 CarbonylContact O-C 3.56Å; Q1224-S1227 PolarHBondContact O-N 2.96Å; Q1224-S1227 PolarHBondContact O-OG 3.35Å; Q1224-Q1228 PolarHBondContact O-N 3Å |
| 1225 | F | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.5 | -26.2 | 172.4 | -80.6 | -82.3 | 0 | 0 | 0 | 113.8 | I1175 T1179 V1192 A1195 F1196 L1199 T1221 D1222 Q1228 I1234 S1235 A1238 | I1175-F1225 HydrophobicContact CG2-CE2 3.74Å; I1175-F1225 HydrophobicContact CG2-CZ 4.18Å; I1175-F1225 WeakPolarHBondContact O-CE2 3.12Å; I1175-F1225 VanDerWaalsContact O-CZ 3.29Å; I1175-F1225 WeakPolarHBondContact O-CZ 3.49Å; T1179-F1225 HydrophobicContact CG2-CD1 3.74Å; T1179-F1225 HydrophobicContact CG2-CD2 3.8Å; T1179-F1225 HydrophobicContact CG2-CE1 3.55Å; T1179-F1225 HydrophobicContact CG2-CE2 3.58Å; T1179-F1225 HydrophobicContact CG2-CG 3.86Å; T1179-F1225 HydrophobicContact CG2-CZ 3.46Å; T1179-F1225 VanDerWaalsContact CG2-CZ 3.46Å; V1192-F1225 HydrophobicContact CG1-CD1 4.16Å; V1192-F1225 HydrophobicContact CG1-CE1 3.91Å; A1195-F1225 HydrophobicContact CB-CE1 4.07Å; A1195-F1225 HydrophobicContact CB-CZ 3.57Å; F1196-F1225 HydrophobicContact CB-CD1 3.77Å; F1196-F1225 HydrophobicContact CB-CE1 3.83Å; F1196-F1225 HydrophobicContact CD2-CB 3.88Å; F1196-F1225 AromaticContact CD2-CD1 3.84Å; F1196-F1225 HydrophobicContact CD2-CD1 3.84Å; F1196-F1225 AromaticContact CD2-CG 3.81Å; F1196-F1225 HydrophobicContact CD2-CG 3.81Å; F1196-F1225 HydrophobicContact CE2-CB 4.25Å; F1196-F1225 HydrophobicContact CG-CD1 4.2Å; L1199-F1225 HydrophobicContact CD2-CD2 3.53Å; L1199-F1225 HydrophobicContact CD2-CE2 4.09Å; L1199-F1225 HydrophobicContact CD2-CG 4.24Å; T1221-F1225 HydrophobicContact CG2-CD2 4.17Å; T1221-F1225 HydrophobicContact CG2-CE2 4.01Å; T1221-F1225 WeakPolarHBondContact O-CD2 3.49Å; T1221-F1225 PolarHBondContact O-N 3.1Å; D1222-F1225 PolarHBondContact O-N 2.84Å; F1225-Q1228 HydrophobicContact CD1-CG 4.38Å; F1225-Q1228 WeakPolarHBondContact O-CG 3.4Å; F1225-Q1228 PolarHBondContact O-NE2 3.01Å; F1225-I1234 HydrophobicContact CB-CG2 4.28Å; F1225-I1234 HydrophobicContact CD1-CG2 3.81Å; F1225-S1235 WeakPolarHBondContact O-CA 3.35Å; F1225-A1238 HydrophobicContact CB-CB 4Å |
| 1226 | G | 90.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.6 | -51.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1222 A1223 Q1224 S1235 R1287 | D1222-G1226 PolarHBondContact O-N 3.39Å; A1223-G1226 WeakPolarHBondContact O-CA 3.43Å; A1223-G1226 PolarHBondContact O-N 2.85Å; A1223-G1226 VanDerWaalsContact O-N 3.16Å; Q1224-G1226 VanDerWaalsContact C-N 3.29Å; Q1224-G1226 PolarHBondContact O-N 3.34Å; G1226-S1235 WeakPolarHBondContact O-CB 3.34Å; G1226-S1235 PolarHBondContact O-OG 3.01Å; G1226-R1287 PolarHBondContact O-NH2 3.27Å |
| 1227 | S | 89.1 | Confident | 90.7 | Very high | 58 Ų | 58 | 37.6 Ų | 37.6 | 41% | 0.406 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -78.6 | -21.1 | -172 | 71.3 | 0 | 0 | 0 | 0 | 116.3 | A1223 Q1224 R1287 | A1223-S1227 PolarHBondContact O-N 3.09Å; Q1224-S1227 WeakPolarHBondContact CA-OG 3.28Å; Q1224-S1227 CarbonylContact O-C 3.56Å; Q1224-S1227 PolarHBondContact O-N 2.96Å; Q1224-S1227 PolarHBondContact O-OG 3.35Å; S1227-R1287 PolarHBondContact O-NH2 2.9Å |
| 1228 | Q | 88.5 | Confident | 90.9 | Very high | 13 Ų | 13 | 34 Ų | 34 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | trans | -61.6 | 146.9 | 178.9 | 63.4 | 69.6 | 37 | 0 | 0 | 111.6 | T1179 V1192 Q1224 F1225 D1231 S1235 R1287 | T1179-Q1228 HydrophobicContact CG2-CB 4.3Å; T1179-Q1228 HydrophobicContact CG2-CG 4.33Å; V1192-Q1228 HydrophobicContact CG1-CG 3.88Å; Q1224-Q1228 PolarHBondContact O-N 3Å; F1225-Q1228 HydrophobicContact CD1-CG 4.38Å; F1225-Q1228 WeakPolarHBondContact O-CG 3.4Å; F1225-Q1228 PolarHBondContact O-NE2 3.01Å; Q1228-D1231 PolarHBondContact NE2-O 2.77Å; Q1228-D1231 VanDerWaalsContact OE1-N 3.13Å; Q1228-S1235 PolarHBondContact NE2-OG 2.83Å; Q1228-S1235 VanDerWaalsContact NE2-OG 3.09Å; Q1228-S1235 PolarHBondContact O-OG 2.92Å; Q1228-R1287 PolarHBondContact O-NH1 2.87Å; Q1228-R1287 PolarHBondContact O-NH2 3.22Å | ||
| 1229 | I | 84.7 | Confident | 90.8 | Very high | 121 Ų | 121 | 34 Ų | 34 | 62% | 0.621 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -106 | 6.9 | -169.2 | 62.6 | 171.1 | 0 | 0 | 0 | 114.8 | ||
| 1230 | K | 82 | Confident | 90.7 | Very high | 76 Ų | 76 | 35.5 Ų | 35.5 | 33% | 0.33 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -91.5 | -38.5 | -169.6 | -62.7 | -78.4 | -179.8 | 158.9 | 0 | 113.4 | T1187 V1192 | T1187-K1230 WeakPolarHBondContact O-CD 3.49Å; T1187-K1230 WeakPolarHBondContact O-CE 3.41Å; T1187-K1230 PolarHBondContact O-NZ 2.93Å; T1187-K1230 VanDerWaalsContact OG1-CE 3.27Å; T1187-K1230 WeakPolarHBondContact OG1-CE 3.43Å; T1187-K1230 PolarHBondContact OG1-NZ 3.42Å; V1192-K1230 HydrophobicContact CG2-CB 4.24Å; V1192-K1230 HydrophobicContact CG2-CG 4.36Å |
| 1231 | D | 85.4 | Confident | 90.6 | Very high | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.053 | 18% | 0.181 | C | C | . | . | trans | -132.7 | 112.7 | 172.1 | -172.3 | -32.6 | 0 | 0 | 0 | 109.8 | E1189 R1193 Q1228 N1233 I1234 S1235 | E1189-D1231 HydrophobicContact CG-CB 4.09Å; R1193-D1231 IonicContact CZ-OD2 2.65Å; R1193-D1231 VanDerWaalsContact CZ-OD2 3.26Å; R1193-D1231 IonicContact NE-OD2 3.82Å; R1193-D1231 PolarHBondContact NE-OD2 3.21Å; R1193-D1231 IonicContact NH2-OD2 3.84Å; R1193-D1231 PolarHBondContact NH2-OD2 3.48Å; Q1228-D1231 PolarHBondContact NE2-O 2.77Å; Q1228-D1231 VanDerWaalsContact OE1-N 3.13Å; D1231-N1233 VanDerWaalsContact C-N 3.28Å; D1231-N1233 PolarHBondContact O-N 3.11Å; D1231-N1233 VanDerWaalsContact OD1-CB 3.3Å; D1231-N1233 WeakPolarHBondContact OD1-CB 3.24Å; D1231-N1233 PolarHBondContact OD1-N 3.48Å; D1231-N1233 PolarHBondContact OD1-ND2 3.08Å; D1231-I1234 HydrophobicContact CB-CB 4.28Å; D1231-I1234 HydrophobicContact CB-CD1 3.89Å; D1231-I1234 HydrophobicContact CB-CG1 4.03Å; D1231-I1234 WeakPolarHBondContact O-CB 3.39Å; D1231-I1234 PolarHBondContact O-N 3Å; D1231-S1235 PolarHBondContact O-N 3.24Å | ||
| 1232 | L | 87.2 | Confident | 90.6 | Very high | 19 Ų | 19 | 31.5 Ų | 31.5 | 10% | 0.099 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.3 | -30.4 | -178.4 | -176.2 | 68.1 | 0 | 0 | 0 | 112.9 | I1234 S1235 L1236 P1289 V1290 M1351 | L1232-I1234 VanDerWaalsContact C-N 3.27Å; L1232-I1234 PolarHBondContact O-N 2.83Å; L1232-S1235 WeakPolarHBondContact O-CB 3.2Å; L1232-S1235 PolarHBondContact O-N 3.36Å; L1232-L1236 HydrophobicContact CG-CD1 4.19Å; L1232-L1236 HydrophobicContact CG-CG 4.48Å; L1232-L1236 WeakPolarHBondContact O-CG 3.38Å; L1232-L1236 PolarHBondContact O-N 2.73Å; L1232-P1289 HydrophobicContact CD1-CB 4.4Å; L1232-P1289 HydrophobicContact CD2-CB 4.27Å; L1232-P1289 HydrophobicContact CD2-CG 4.15Å; L1232-V1290 HydrophobicContact CD1-CG2 3.49Å; L1232-V1290 VanDerWaalsContact CD1-CG2 3.49Å; L1232-M1351 HydrophobicContact CD2-CE 3.81Å; L1232-M1351 HydrophobicContact CD2-SD 3.44Å; L1232-M1351 WeakPolarHBondContact CD2-SD 3.41Å |
| 1233 | N | 89.3 | Confident | 90.6 | Very high | 111 Ų | 111 | 35 Ų | 35 | 59% | 0.594 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -69.9 | -30.9 | -179.1 | -52.4 | -84.2 | 0 | 0 | 0 | 110.9 | D1231 S1237 | D1231-N1233 VanDerWaalsContact C-N 3.28Å; D1231-N1233 PolarHBondContact O-N 3.11Å; D1231-N1233 VanDerWaalsContact OD1-CB 3.3Å; D1231-N1233 WeakPolarHBondContact OD1-CB 3.24Å; D1231-N1233 PolarHBondContact OD1-N 3.48Å; D1231-N1233 PolarHBondContact OD1-ND2 3.08Å; N1233-S1237 VanDerWaalsContact O-CB 3.27Å; N1233-S1237 WeakPolarHBondContact O-CB 3.23Å; N1233-S1237 PolarHBondContact O-N 3.39Å; N1233-S1237 PolarHBondContact O-OG 3.39Å |
| 1234 | I | 91.6 | Very high | 90.5 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 5% | 0.051 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.7 | -48.4 | 171.5 | -68.4 | 180 | 0 | 0 | 0 | 110.2 | V1192 R1193 F1196 F1225 D1231 L1232 L1236 S1237 A1238 | V1192-I1234 HydrophobicContact CG1-CD1 4.05Å; R1193-I1234 HydrophobicContact CB-CD1 4.3Å; R1193-I1234 HydrophobicContact CG-CD1 3.72Å; F1196-I1234 HydrophobicContact CB-CD1 4.02Å; F1196-I1234 HydrophobicContact CB-CG1 4.37Å; F1196-I1234 HydrophobicContact CB-CG2 3.8Å; F1196-I1234 HydrophobicContact CD1-CB 4.25Å; F1196-I1234 HydrophobicContact CD1-CD1 4.42Å; F1196-I1234 HydrophobicContact CD1-CG1 3.9Å; F1196-I1234 HydrophobicContact CD1-CG2 3.81Å; F1196-I1234 HydrophobicContact CD2-CG2 3.73Å; F1196-I1234 HydrophobicContact CE1-CG2 4.32Å; F1196-I1234 HydrophobicContact CE2-CG2 4.26Å; F1196-I1234 HydrophobicContact CG-CB 4.39Å; F1196-I1234 HydrophobicContact CG-CD1 4.46Å; F1196-I1234 HydrophobicContact CG-CG1 4.27Å; F1196-I1234 HydrophobicContact CG-CG2 3.48Å; F1196-I1234 VanDerWaalsContact CG-CG2 3.48Å; F1225-I1234 HydrophobicContact CB-CG2 4.28Å; F1225-I1234 HydrophobicContact CD1-CG2 3.81Å; D1231-I1234 HydrophobicContact CB-CB 4.28Å; D1231-I1234 HydrophobicContact CB-CD1 3.89Å; D1231-I1234 HydrophobicContact CB-CG1 4.03Å; D1231-I1234 WeakPolarHBondContact O-CB 3.39Å; D1231-I1234 PolarHBondContact O-N 3Å; L1232-I1234 VanDerWaalsContact C-N 3.27Å; L1232-I1234 PolarHBondContact O-N 2.83Å; I1234-L1236 VanDerWaalsContact C-N 3.3Å; I1234-L1236 PolarHBondContact O-N 3Å; I1234-S1237 WeakPolarHBondContact O-CB 3.3Å; I1234-S1237 PolarHBondContact O-N 2.99Å; I1234-A1238 WeakPolarHBondContact O-CB 3.47Å; I1234-A1238 PolarHBondContact O-N 2.74Å |
| 1235 | S | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.1 | -44.7 | 176.4 | -62.4 | 0 | 0 | 0 | 0 | 112.8 | F1225 G1226 Q1228 D1231 L1232 V1239 R1287 | F1225-S1235 WeakPolarHBondContact O-CA 3.35Å; G1226-S1235 WeakPolarHBondContact O-CB 3.34Å; G1226-S1235 PolarHBondContact O-OG 3.01Å; Q1228-S1235 PolarHBondContact NE2-OG 2.83Å; Q1228-S1235 VanDerWaalsContact NE2-OG 3.09Å; Q1228-S1235 PolarHBondContact O-OG 2.92Å; D1231-S1235 PolarHBondContact O-N 3.24Å; L1232-S1235 WeakPolarHBondContact O-CB 3.2Å; L1232-S1235 PolarHBondContact O-N 3.36Å; S1235-V1239 WeakPolarHBondContact O-CG2 3.34Å; S1235-V1239 PolarHBondContact O-N 3.03Å; S1235-R1287 PolarHBondContact OG-NH1 3.35Å; S1235-R1287 PolarHBondContact OG-NH2 3.49Å |
| 1236 | L | 91.8 | Very high | 90.4 | Very high | 58 Ų | 58 | 34.1 Ų | 34.1 | 30% | 0.304 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -69.8 | -33.5 | 177.2 | -66.1 | 173.3 | 0 | 0 | 0 | 112.6 | L1232 I1234 G1240 P1289 | L1232-L1236 HydrophobicContact CG-CD1 4.19Å; L1232-L1236 HydrophobicContact CG-CG 4.48Å; L1232-L1236 WeakPolarHBondContact O-CG 3.38Å; L1232-L1236 PolarHBondContact O-N 2.73Å; I1234-L1236 VanDerWaalsContact C-N 3.3Å; I1234-L1236 PolarHBondContact O-N 3Å; L1236-G1240 PolarHBondContact O-N 3.42Å; L1236-P1289 HydrophobicContact CD2-CB 4.31Å; L1236-P1289 WeakPolarHBondContact CD2-O 3.4Å |
| 1237 | S | 93.3 | Very high | 90.4 | Very high | 46 Ų | 46 | 35.9 Ų | 35.9 | 32% | 0.322 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70.6 | -40.1 | 176.2 | -63 | 0 | 0 | 0 | 0 | 112.3 | N1233 I1234 G1240 N1241 | N1233-S1237 VanDerWaalsContact O-CB 3.27Å; N1233-S1237 WeakPolarHBondContact O-CB 3.23Å; N1233-S1237 PolarHBondContact O-N 3.39Å; N1233-S1237 PolarHBondContact O-OG 3.39Å; I1234-S1237 WeakPolarHBondContact O-CB 3.3Å; I1234-S1237 PolarHBondContact O-N 2.99Å; S1237-G1240 CarbonylContact O-C 3.56Å; S1237-G1240 WeakPolarHBondContact O-CA 3.4Å; S1237-G1240 PolarHBondContact O-N 2.86Å; S1237-N1241 PolarHBondContact O-N 3.45Å |
| 1238 | A | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1196 D1222 F1225 I1234 G1240 N1241 L1242 | F1196-A1238 HydrophobicContact CE2-CB 3.86Å; F1196-A1238 HydrophobicContact CZ-CB 4.33Å; D1222-A1238 WeakPolarHBondContact O-CB 3.12Å; D1222-A1238 VanDerWaalsContact OD2-O 3.1Å; F1225-A1238 HydrophobicContact CB-CB 4Å; I1234-A1238 WeakPolarHBondContact O-CB 3.47Å; I1234-A1238 PolarHBondContact O-N 2.74Å; A1238-G1240 PolarHBondContact O-N 3.12Å; A1238-G1240 VanDerWaalsContact O-N 3.16Å; A1238-N1241 WeakPolarHBondContact O-CB 3.46Å; A1238-N1241 PolarHBondContact O-N 3.45Å; A1238-L1242 PolarHBondContact O-N 3.4Å |
| 1239 | V | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.5 | -29.2 | 170.7 | 171.7 | 0 | 0 | 0 | 0 | 112.5 | S1235 W1243 L1279 L1282 S1293 A1294 T1297 | S1235-V1239 WeakPolarHBondContact O-CG2 3.34Å; S1235-V1239 PolarHBondContact O-N 3.03Å; V1239-W1243 PolarHBondContact O-N 3.16Å; V1239-L1279 HydrophobicContact CG1-CD2 4.41Å; V1239-L1282 HydrophobicContact CG2-CD1 3.8Å; V1239-S1293 WeakPolarHBondContact CG1-OG 3.44Å; V1239-A1294 HydrophobicContact CG2-CB 4.3Å; V1239-T1297 HydrophobicContact CG1-CG2 4.45Å; V1239-T1297 WeakPolarHBondContact CG1-OG1 3.43Å |
| 1240 | G | 92.1 | Very high | 90.7 | Very high | 32 Ų | 32 | 34.2 Ų | 34.2 | 33% | 0.33 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -79.9 | -31.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1236 S1237 A1238 W1243 T1244 | L1236-G1240 PolarHBondContact O-N 3.42Å; S1237-G1240 CarbonylContact O-C 3.56Å; S1237-G1240 WeakPolarHBondContact O-CA 3.4Å; S1237-G1240 PolarHBondContact O-N 2.86Å; A1238-G1240 PolarHBondContact O-N 3.12Å; A1238-G1240 VanDerWaalsContact O-N 3.16Å; G1240-W1243 WeakPolarHBondContact O-CB 2.9Å; G1240-W1243 PolarHBondContact O-N 3.35Å; G1240-T1244 PolarHBondContact O-N 3.31Å; G1240-T1244 PolarHBondContact O-OG1 3.21Å |
| 1241 | N | 91.8 | Very high | 91 | Very high | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.112 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.9 | -45.2 | 170.4 | -71.9 | -9.6 | 0 | 0 | 0 | 110.2 | F1196 D1222 S1237 A1238 W1243 T1244 V1245 | F1196-N1241 WeakPolarHBondContact CE2-ND2 3.32Å; F1196-N1241 WeakPolarHBondContact CZ-ND2 3.28Å; D1222-N1241 WeakPolarHBondContact OD1-CB 3.39Å; D1222-N1241 PolarHBondContact OD1-ND2 3.4Å; D1222-N1241 WeakPolarHBondContact OD2-CB 3.47Å; S1237-N1241 PolarHBondContact O-N 3.45Å; A1238-N1241 WeakPolarHBondContact O-CB 3.46Å; A1238-N1241 PolarHBondContact O-N 3.45Å; N1241-W1243 VanDerWaalsContact C-N 3.32Å; N1241-W1243 PolarHBondContact O-N 3.49Å; N1241-T1244 CarbonylContact O-C 3.56Å; N1241-T1244 WeakPolarHBondContact O-CA 3.23Å; N1241-T1244 VanDerWaalsContact O-CB 3.26Å; N1241-T1244 WeakPolarHBondContact O-CB 3.45Å; N1241-T1244 PolarHBondContact O-N 3.38Å; N1241-V1245 PolarHBondContact O-N 2.89Å |
| 1242 | L | 94 | Very high | 91 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.7 | -38.4 | 174.6 | -68 | -178.7 | 0 | 0 | 0 | 113 | M1219 D1222 A1238 T1244 V1245 G1246 L1275 C1278 L1279 L1282 | M1219-L1242 HydrophobicContact CB-CD2 4.3Å; M1219-L1242 HydrophobicContact CG-CD2 4.25Å; D1222-L1242 HydrophobicContact CB-CD2 4.14Å; D1222-L1242 WeakPolarHBondContact OD2-CD2 3.32Å; D1222-L1242 VanDerWaalsContact OD2-CG 3.32Å; D1222-L1242 WeakPolarHBondContact OD2-CG 3.28Å; D1222-L1242 PolarHBondContact OD2-N 2.99Å; A1238-L1242 PolarHBondContact O-N 3.4Å; L1242-T1244 VanDerWaalsContact C-N 3.31Å; L1242-T1244 PolarHBondContact O-N 2.92Å; L1242-V1245 PolarHBondContact O-N 3.44Å; L1242-G1246 PolarHBondContact O-N 3.01Å; L1242-L1275 HydrophobicContact CB-CD1 3.87Å; L1242-L1275 HydrophobicContact CD2-CD1 3.97Å; L1242-L1275 HydrophobicContact CG-CD1 4.43Å; L1242-L1275 WeakPolarHBondContact O-CD1 3.37Å; L1242-C1278 HydrophobicContact CD1-CB 4.33Å; L1242-L1279 HydrophobicContact CB-CD1 4.49Å; L1242-L1279 HydrophobicContact CB-CD2 3.85Å; L1242-L1279 HydrophobicContact CB-CG 4.2Å; L1242-L1279 HydrophobicContact CD1-CD2 3.67Å; L1242-L1279 HydrophobicContact CD1-CG 3.92Å; L1242-L1279 HydrophobicContact CG-CD2 4.42Å; L1242-L1282 HydrophobicContact CD1-CD1 4.07Å |
| 1243 | W | 92.9 | Very high | 90.5 | Very high | 73 Ų | 73 | 45 Ų | 45 | 28% | 0.277 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58 | -45.4 | 169.1 | 169.6 | -87.1 | 0 | 0 | 0 | 111.6 | V1239 G1240 N1241 V1245 G1246 D1247 T1297 H1305 | V1239-W1243 PolarHBondContact O-N 3.16Å; G1240-W1243 WeakPolarHBondContact O-CB 2.9Å; G1240-W1243 PolarHBondContact O-N 3.35Å; N1241-W1243 VanDerWaalsContact C-N 3.32Å; N1241-W1243 PolarHBondContact O-N 3.49Å; W1243-V1245 VanDerWaalsContact C-N 3.3Å; W1243-V1245 PolarHBondContact O-N 3.47Å; W1243-G1246 WeakPolarHBondContact O-CA 3.31Å; W1243-G1246 PolarHBondContact O-N 3.17Å; W1243-D1247 PolarHBondContact NE1-OD2 3.22Å; W1243-D1247 PolarHBondContact O-N 3.27Å; W1243-T1297 HydrophobicContact CB-CG2 3.95Å; W1243-T1297 HydrophobicContact CE3-CG2 4.46Å; W1243-H1305 AromaticContact CH2-CE1 3.91Å |
| 1244 | T | 91.2 | Very high | 89.6 | Confident | 68 Ų | 68 | 42.1 Ų | 42.1 | 42% | 0.417 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.1 | -35.1 | -176.8 | -52 | 0 | 0 | 0 | 0 | 111.8 | G1240 N1241 L1242 D1247 F1248 | G1240-T1244 PolarHBondContact O-N 3.31Å; G1240-T1244 PolarHBondContact O-OG1 3.21Å; N1241-T1244 CarbonylContact O-C 3.56Å; N1241-T1244 WeakPolarHBondContact O-CA 3.23Å; N1241-T1244 VanDerWaalsContact O-CB 3.26Å; N1241-T1244 WeakPolarHBondContact O-CB 3.45Å; N1241-T1244 PolarHBondContact O-N 3.38Å; L1242-T1244 VanDerWaalsContact C-N 3.31Å; L1242-T1244 PolarHBondContact O-N 2.92Å; T1244-D1247 PolarHBondContact O-N 2.98Å; T1244-F1248 WeakPolarHBondContact O-CB 3.28Å; T1244-F1248 PolarHBondContact O-N 3.37Å |
| 1245 | V | 91.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.5 | -40.6 | 170.3 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | L1207 F1218 M1219 N1241 L1242 W1243 F1248 L1249 | L1207-V1245 HydrophobicContact CD1-CG2 4.47Å; L1207-V1245 HydrophobicContact CD2-CG2 4.32Å; F1218-V1245 HydrophobicContact CD1-CG2 3.89Å; F1218-V1245 HydrophobicContact CE1-CG2 3.58Å; M1219-V1245 HydrophobicContact CE-CG1 4.09Å; M1219-V1245 HydrophobicContact CG-CG1 3.95Å; M1219-V1245 HydrophobicContact SD-CG1 3.79Å; N1241-V1245 PolarHBondContact O-N 2.89Å; L1242-V1245 PolarHBondContact O-N 3.44Å; W1243-V1245 VanDerWaalsContact C-N 3.3Å; W1243-V1245 PolarHBondContact O-N 3.47Å; V1245-F1248 PolarHBondContact O-N 3.34Å; V1245-L1249 HydrophobicContact CG1-CD1 4.13Å; V1245-L1249 HydrophobicContact CG1-CG 4.39Å; V1245-L1249 WeakPolarHBondContact O-CG 3.44Å; V1245-L1249 PolarHBondContact O-N 2.88Å |
| 1246 | G | 90.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1242 W1243 F1248 L1249 Y1250 H1305 | L1242-G1246 PolarHBondContact O-N 3.01Å; W1243-G1246 WeakPolarHBondContact O-CA 3.31Å; W1243-G1246 PolarHBondContact O-N 3.17Å; G1246-F1248 VanDerWaalsContact C-N 3.33Å; G1246-F1248 PolarHBondContact O-N 3.41Å; G1246-L1249 PolarHBondContact O-N 2.87Å; G1246-Y1250 WeakPolarHBondContact O-CB 3.32Å; G1246-Y1250 PolarHBondContact O-N 2.78Å; G1246-H1305 VanDerWaalsContact C-CE1 3.44Å |
| 1247 | D | 90.5 | Very high | 83.8 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 20% | 0.198 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -35.6 | 174.8 | -104.4 | 5.7 | 0 | 0 | 0 | 112.7 | W1243 T1244 R1251 H1305 | W1243-D1247 PolarHBondContact NE1-OD2 3.22Å; W1243-D1247 PolarHBondContact O-N 3.27Å; T1244-D1247 PolarHBondContact O-N 2.98Å; D1247-R1251 VanDerWaalsContact O-CG 3.24Å; D1247-R1251 WeakPolarHBondContact O-CG 3.47Å; D1247-R1251 PolarHBondContact O-N 2.97Å; D1247-R1251 VanDerWaalsContact O-N 3.12Å; D1247-R1251 IonicContact OD2-NH2 2.68Å; D1247-R1251 PolarHBondContact OD2-NH2 3.14Å; D1247-R1251 VanDerWaalsContact OD2-NH2 3.12Å; D1247-H1305 PolarHBondContact N-CE1 3.47Å; D1247-H1305 IonicContact OD1-CD2 3.21Å; D1247-H1305 IonicContact OD1-CE1 2.66Å; D1247-H1305 IonicContact OD1-NE2 3.45Å; D1247-H1305 PolarHBondContact OD1-NE2 3.05Å |
| 1248 | F | 90.4 | Very high | 81.3 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 19% | 0.189 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.3 | -48.8 | 174.5 | 172.5 | -99.1 | 0 | 0 | 0 | 111.9 | L1207 T1244 V1245 G1246 Y1250 R1251 N1252 | L1207-F1248 HydrophobicContact CB-CD1 4.46Å; L1207-F1248 HydrophobicContact CB-CD2 4.34Å; L1207-F1248 HydrophobicContact CB-CE2 4.39Å; L1207-F1248 HydrophobicContact CB-CG 4.38Å; L1207-F1248 HydrophobicContact CB-CZ 4.48Å; L1207-F1248 HydrophobicContact CD1-CB 4.27Å; L1207-F1248 HydrophobicContact CD1-CG 4.35Å; T1244-F1248 WeakPolarHBondContact O-CB 3.28Å; T1244-F1248 PolarHBondContact O-N 3.37Å; V1245-F1248 PolarHBondContact O-N 3.34Å; G1246-F1248 VanDerWaalsContact C-N 3.33Å; G1246-F1248 PolarHBondContact O-N 3.41Å; F1248-Y1250 VanDerWaalsContact C-N 3.26Å; F1248-Y1250 PolarHBondContact O-N 3.47Å; F1248-R1251 PolarHBondContact O-N 2.99Å; F1248-N1252 WeakPolarHBondContact CD2-ND2 3.36Å; F1248-N1252 HydrophobicContact CE2-CB 4.35Å; F1248-N1252 WeakPolarHBondContact CE2-ND2 3.32Å; F1248-N1252 HydrophobicContact CZ-CB 4.35Å; F1248-N1252 PolarHBondContact O-N 2.81Å; F1248-N1252 PolarHBondContact O-ND2 2.58Å |
| 1249 | L | 89.9 | Confident | 78.4 | Confident | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63 | -32.7 | 176.1 | -69.8 | 173.1 | 0 | 0 | 0 | 112.1 | V1245 G1246 N1252 P1253 L1271 L1272 | V1245-L1249 HydrophobicContact CG1-CD1 4.13Å; V1245-L1249 HydrophobicContact CG1-CG 4.39Å; V1245-L1249 WeakPolarHBondContact O-CG 3.44Å; V1245-L1249 PolarHBondContact O-N 2.88Å; G1246-L1249 PolarHBondContact O-N 2.87Å; L1249-N1252 CarbonylContact O-C 3.59Å; L1249-P1253 WeakPolarHBondContact O-CA 3.42Å; L1249-L1271 HydrophobicContact CD1-CB 4Å; L1249-L1271 HydrophobicContact CD2-CB 4.39Å; L1249-L1271 HydrophobicContact CD2-CD1 3.84Å; L1249-L1272 HydrophobicContact CD1-CD2 4.24Å |
| 1250 | Y | 89.2 | Confident | 75.6 | Confident | 112 Ų | 112 | 74.4 Ų | 74.4 | 44% | 0.439 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.6 | -39.1 | 176 | -176.8 | -105.5 | 0 | 0 | 0 | 113 | G1246 F1248 H1305 L1308 | G1246-Y1250 WeakPolarHBondContact O-CB 3.32Å; G1246-Y1250 PolarHBondContact O-N 2.78Å; F1248-Y1250 VanDerWaalsContact C-N 3.26Å; F1248-Y1250 PolarHBondContact O-N 3.47Å; Y1250-H1305 WeakPolarHBondContact CB-CD2 3.26Å; Y1250-H1305 HydrophobicContact CD2-CB 4.17Å; Y1250-H1305 AromaticContact CD2-CD2 3.83Å; Y1250-H1305 AromaticContact CG-CD2 3.52Å; Y1250-L1308 HydrophobicContact CD2-CD1 4.12Å; Y1250-L1308 HydrophobicContact CD2-CG 4.15Å |
| 1251 | R | 87.7 | Confident | 72.8 | Confident | 176 Ų | 176 | 76.3 Ų | 76.3 | 66% | 0.664 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -80 | -32.3 | 178.5 | -65.9 | 170.1 | -158.3 | -167 | 9.2 | 112.9 | D1247 F1248 P1253 | D1247-R1251 VanDerWaalsContact O-CG 3.24Å; D1247-R1251 WeakPolarHBondContact O-CG 3.47Å; D1247-R1251 PolarHBondContact O-N 2.97Å; D1247-R1251 VanDerWaalsContact O-N 3.12Å; D1247-R1251 IonicContact OD2-NH2 2.68Å; D1247-R1251 PolarHBondContact OD2-NH2 3.14Å; D1247-R1251 VanDerWaalsContact OD2-NH2 3.12Å; F1248-R1251 PolarHBondContact O-N 2.99Å; R1251-P1253 VanDerWaalsContact C-CD 3.41Å; R1251-P1253 WeakPolarHBondContact O-CD 3.33Å |
| 1252 | N | 85.4 | Confident | 70 | Confident | 95 Ų | 95 | 81.9 Ų | 81.9 | 51% | 0.508 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -125.3 | 62 | -176.4 | -52.8 | -79 | 0 | 0 | 0 | 111.3 | F1248 L1249 P1254 | F1248-N1252 WeakPolarHBondContact CD2-ND2 3.36Å; F1248-N1252 HydrophobicContact CE2-CB 4.35Å; F1248-N1252 WeakPolarHBondContact CE2-ND2 3.32Å; F1248-N1252 HydrophobicContact CZ-CB 4.35Å; F1248-N1252 PolarHBondContact O-N 2.81Å; F1248-N1252 PolarHBondContact O-ND2 2.58Å; L1249-N1252 CarbonylContact O-C 3.59Å; N1252-P1254 WeakPolarHBondContact O-CD 3.41Å |
| 1253 | P | 77.8 | Confident | 67.2 | Low | 60 Ų | 60 | 89 Ų | 89 | 39% | 0.39 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 125.3 | -178.3 | 26.8 | -34.2 | 0 | 0 | 0 | 110.8 | L1249 R1251 S1255 L1308 | L1249-P1253 WeakPolarHBondContact O-CA 3.42Å; R1251-P1253 VanDerWaalsContact C-CD 3.41Å; R1251-P1253 WeakPolarHBondContact O-CD 3.33Å; P1253-S1255 PolarHBondContact O-N 2.97Å; P1253-L1308 HydrophobicContact CB-CD1 4.13Å; P1253-L1308 HydrophobicContact CB-CD2 4.36Å |
| 1254 | P | 70.9 | Confident | 64.9 | Low | 50 Ų | 50 | 93.4 Ų | 93.4 | 33% | 0.325 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 138.5 | 173.7 | -27.6 | 32.4 | 0 | 0 | 0 | 112.5 | N1252 R1256 V1268 L1271 | N1252-P1254 WeakPolarHBondContact O-CD 3.41Å; P1254-R1256 PolarHBondContact O-N 2.68Å; P1254-R1256 VanDerWaalsContact O-N 3.15Å; P1254-V1268 HydrophobicContact CB-CG2 4Å; P1254-V1268 HydrophobicContact CG-CG2 4.21Å; P1254-V1268 VanDerWaalsContact O-CG2 3.31Å; P1254-V1268 WeakPolarHBondContact O-CG2 3.45Å; P1254-L1271 HydrophobicContact CG-CD1 4.08Å |
| 1255 | S | 62.9 | Low | 63.2 | Low | 95 Ų | 95 | 93.4 Ų | 93.4 | 66% | 0.664 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 118.1 | -170 | 57.9 | 0 | 0 | 0 | 0 | 112.3 | P1253 T1257 | P1253-S1255 PolarHBondContact O-N 2.97Å; S1255-T1257 PolarHBondContact O-N 3.29Å |
| 1256 | R | 52.2 | Low | 62 | Low | 160 Ų | 160 | 94.5 Ų | 94.5 | 60% | 0.604 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -64.2 | 10.2 | -177.1 | -71.5 | 177.3 | 164.5 | 175.3 | -7.7 | 115.6 | P1254 L1308 | P1254-R1256 PolarHBondContact O-N 2.68Å; P1254-R1256 VanDerWaalsContact O-N 3.15Å; R1256-L1308 PolarHBondContact NH2-O 2.67Å |
| 1257 | T | 39 | Very low | 61.6 | Low | 116 Ų | 116 | 96.8 Ų | 96.8 | 71% | 0.712 | 55% | 0.549 | S | S | * | . | trans | -135.3 | 49.2 | -165.7 | 55.8 | 0 | 0 | 0 | 0 | 114.5 | S1255 K1259 | S1255-T1257 PolarHBondContact O-N 3.29Å; T1257-K1259 PolarHBondContact O-N 2.94Å | ||
| 1258 | S | 40.4 | Very low | 61.4 | Low | 102 Ų | 102 | 95.4 Ų | 95.4 | 71% | 0.713 | 54% | 0.542 | S | S | * | . | trans | -77.4 | 62.1 | 169.4 | 46.2 | 0 | 0 | 0 | 0 | 112.8 | S1260 | S1258-S1260 PolarHBondContact O-N 2.97Š| ||
| 1259 | K | 33.8 | Very low | 61.3 | Low | 214 Ų | 214 | 93.9 Ų | 93.9 | 93% | 0.93 | 54% | 0.536 | S | S | * | . | trans | -81.8 | 55.2 | 174 | -78.7 | -168.1 | 174.5 | -177.5 | 0 | 112.9 | T1257 | T1257-K1259 PolarHBondContact O-N 2.94Š| ||
| 1260 | S | 33.8 | Very low | 61.2 | Low | 105 Ų | 105 | 98.8 Ų | 98.8 | 73% | 0.734 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -155.1 | 139.7 | 170.1 | 52.1 | 0 | 0 | 0 | 0 | 109.5 | S1258 | S1258-S1260 PolarHBondContact O-N 2.97Š|
| 1261 | G | 32.3 | Very low | 61.3 | Low | 73 Ų | 73 | 93.5 Ų | 93.5 | 75% | 0.753 | 54% | 0.538 | S | S | * | . | trans | -78 | 163.8 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1262 | V | 34.5 | Very low | 61.5 | Low | 137 Ų | 137 | 85.1 Ų | 85.1 | 83% | 0.83 | 51% | 0.507 | S | S | * | . | S | Bend | trans | 61 | 73.2 | 163.6 | -162.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1263 | N | 35.6 | Very low | 61.8 | Low | 150 Ų | 150 | 82.1 Ų | 82.1 | 80% | 0.802 | 49% | 0.49 | S | S | * | . | S | Bend | -173.1 | 163.8 | 121.8 | -92.8 | -28.8 | 0 | 0 | 0 | 111.6 | G1265 | N1263-G1265 VanDerWaalsContact C-N 3.34Å; N1263-G1265 PolarHBondContact O-N 2.94Å | |
| 1264 | N | 44.6 | Very low | 62.6 | Low | 165 Ų | 165 | 80.3 Ų | 80.3 | 88% | 0.882 | 48% | 0.479 | S | S | * | . | trans | -71 | 69.9 | -165 | -63.9 | -18.1 | 0 | 0 | 0 | 115 | T1266 | N1264-T1266 PolarHBondContact O-N 2.67Š| ||
| 1265 | G | 53.9 | Low | 63.7 | Low | 68 Ų | 68 | 78 Ų | 78 | 70% | 0.701 | 46% | 0.464 | S | S | * | . | trans | -79.9 | 103.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1263 S1267 | N1263-G1265 VanDerWaalsContact C-N 3.34Å; N1263-G1265 PolarHBondContact O-N 2.94Å; G1265-S1267 PolarHBondContact O-N 2.59Å | ||
| 1266 | T | 67 | Low | 65.2 | Low | 25 Ų | 25 | 73.4 Ų | 73.4 | 15% | 0.153 | 43% | 0.432 | C | S | . | . | trans | -56.2 | 129.3 | 174 | -43.9 | 0 | 0 | 0 | 0 | 111.3 | G1212 Q1216 N1264 Q1270 L1271 | G1212-T1266 WeakPolarHBondContact O-CB 3.45Å; G1212-T1266 PolarHBondContact O-OG1 3.45Å; Q1216-T1266 HydrophobicContact CG-CG2 4.45Å; N1264-T1266 PolarHBondContact O-N 2.67Å; T1266-Q1270 HydrophobicContact CG2-CB 3.76Å; T1266-L1271 HydrophobicContact CG2-CD2 3.77Å; T1266-L1271 HydrophobicContact CG2-CG 3.87Å | ||
| 1267 | S | 82.3 | Confident | 67.2 | Low | 47 Ų | 47 | 70.1 Ų | 70.1 | 33% | 0.329 | 42% | 0.423 | S | S | . | . | trans | -77.6 | 158.9 | -178.5 | 78 | 0 | 0 | 0 | 0 | 112.9 | G1265 D1269 Q1270 L1271 | G1265-S1267 PolarHBondContact O-N 2.59Å; S1267-D1269 VanDerWaalsContact C-N 3.28Å; S1267-D1269 PolarHBondContact O-N 2.93Å; S1267-Q1270 WeakPolarHBondContact O-CB 3.41Å; S1267-Q1270 PolarHBondContact O-N 3.39Å; S1267-Q1270 VanDerWaalsContact O-N 3.09Å; S1267-Q1270 WeakPolarHBondContact OG-CG 3.31Å; S1267-Q1270 PolarHBondContact OG-N 2.95Å; S1267-Q1270 VanDerWaalsContact OG-N 3.17Å; S1267-L1271 WeakPolarHBondContact O-CG 3.31Å; S1267-L1271 PolarHBondContact O-N 2.88Å | ||
| 1268 | V | 85.9 | Confident | 69.9 | Low | 8 Ų | 8 | 64.8 Ų | 64.8 | 5% | 0.048 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -56.9 | -44.3 | 176.7 | -162.4 | 0 | 0 | 0 | 0 | 111 | P1254 Q1270 L1271 L1272 L1308 | P1254-V1268 HydrophobicContact CB-CG2 4Å; P1254-V1268 HydrophobicContact CG-CG2 4.21Å; P1254-V1268 VanDerWaalsContact O-CG2 3.31Å; P1254-V1268 WeakPolarHBondContact O-CG2 3.45Å; V1268-Q1270 VanDerWaalsContact C-N 3.35Å; V1268-Q1270 PolarHBondContact O-N 3.04Å; V1268-L1271 PolarHBondContact O-N 2.94Å; V1268-L1272 HydrophobicContact CG1-CD1 4.14Å; V1268-L1272 WeakPolarHBondContact O-CB 3.33Å; V1268-L1272 WeakPolarHBondContact O-CG 3.47Å; V1268-L1272 PolarHBondContact O-N 2.83Å; V1268-L1308 HydrophobicContact CG1-CD1 4.27Å |
| 1269 | D | 88 | Confident | 72.5 | Confident | 12 Ų | 12 | 60 Ų | 60 | 6% | 0.064 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 175.7 | -59.8 | 67.9 | 0 | 0 | 0 | 112.1 | S1267 L1273 L1309 Q1310 S1313 | S1267-D1269 VanDerWaalsContact C-N 3.28Å; S1267-D1269 PolarHBondContact O-N 2.93Å; D1269-L1273 VanDerWaalsContact O-CB 3.29Å; D1269-L1273 WeakPolarHBondContact O-CB 3.48Å; D1269-L1273 WeakPolarHBondContact O-CG 3.46Å; D1269-L1273 PolarHBondContact O-N 3.05Å; D1269-L1309 HydrophobicContact CB-CD2 4.48Å; D1269-Q1310 PolarHBondContact OD2-N 2.9Å; D1269-S1313 VanDerWaalsContact OD2-CB 3.25Å; D1269-S1313 WeakPolarHBondContact OD2-CB 3.21Å; D1269-S1313 PolarHBondContact OD2-OG 2.91Å |
| 1270 | Q | 88.6 | Confident | 75.3 | Confident | 105 Ų | 105 | 50 Ų | 50 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.6 | -37.4 | 174.9 | -76.2 | 170.1 | -20.6 | 0 | 0 | 112.9 | T1266 S1267 V1268 C1274 | T1266-Q1270 HydrophobicContact CG2-CB 3.76Å; S1267-Q1270 WeakPolarHBondContact O-CB 3.41Å; S1267-Q1270 PolarHBondContact O-N 3.39Å; S1267-Q1270 VanDerWaalsContact O-N 3.09Å; S1267-Q1270 WeakPolarHBondContact OG-CG 3.31Å; S1267-Q1270 PolarHBondContact OG-N 2.95Å; S1267-Q1270 VanDerWaalsContact OG-N 3.17Å; V1268-Q1270 VanDerWaalsContact C-N 3.35Å; V1268-Q1270 PolarHBondContact O-N 3.04Å; Q1270-C1274 VanDerWaalsContact O-CB 3.25Å; Q1270-C1274 WeakPolarHBondContact O-CB 3.16Å; Q1270-C1274 PolarHBondContact O-N 3.25Å |
| 1271 | L | 91 | Very high | 78.1 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.4 | -44.5 | 175.1 | -67.4 | 171.4 | 0 | 0 | 0 | 111.2 | G1212 L1215 Q1216 M1219 L1249 P1254 T1266 S1267 V1268 C1274 L1275 | G1212-L1271 WeakPolarHBondContact O-CD2 3.45Å; L1215-L1271 HydrophobicContact CB-CD2 4.21Å; Q1216-L1271 HydrophobicContact CG-CD2 3.78Å; M1219-L1271 HydrophobicContact CE-CB 4.49Å; M1219-L1271 HydrophobicContact CE-CD2 4.01Å; L1249-L1271 HydrophobicContact CD1-CB 4Å; L1249-L1271 HydrophobicContact CD2-CB 4.39Å; L1249-L1271 HydrophobicContact CD2-CD1 3.84Å; P1254-L1271 HydrophobicContact CG-CD1 4.08Å; T1266-L1271 HydrophobicContact CG2-CD2 3.77Å; T1266-L1271 HydrophobicContact CG2-CG 3.87Å; S1267-L1271 WeakPolarHBondContact O-CG 3.31Å; S1267-L1271 PolarHBondContact O-N 2.88Å; V1268-L1271 PolarHBondContact O-N 2.94Å; L1271-C1274 WeakPolarHBondContact O-CB 3.32Å; L1271-C1274 PolarHBondContact O-N 2.86Å; L1271-L1275 PolarHBondContact O-N 2.79Å |
| 1272 | L | 92.1 | Very high | 81 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.9 | -42.6 | 177.2 | -70.7 | 172.5 | 0 | 0 | 0 | 112.1 | L1249 V1268 C1274 L1275 Y1276 L1308 L1309 | L1249-L1272 HydrophobicContact CD1-CD2 4.24Å; V1268-L1272 HydrophobicContact CG1-CD1 4.14Å; V1268-L1272 WeakPolarHBondContact O-CB 3.33Å; V1268-L1272 WeakPolarHBondContact O-CG 3.47Å; V1268-L1272 PolarHBondContact O-N 2.83Å; L1272-C1274 VanDerWaalsContact C-N 3.33Å; L1272-C1274 PolarHBondContact O-N 2.97Å; L1272-L1275 WeakPolarHBondContact O-CB 3.38Å; L1272-L1275 PolarHBondContact O-N 3.21Å; L1272-Y1276 HydrophobicContact CB-CE2 3.88Å; L1272-Y1276 WeakPolarHBondContact O-CB 3.43Å; L1272-Y1276 WeakPolarHBondContact O-CD2 3.42Å; L1272-Y1276 PolarHBondContact O-N 3.13Å; L1272-L1308 HydrophobicContact CD1-CB 3.89Å; L1272-L1309 HydrophobicContact CB-CD2 4.04Å; L1272-L1309 HydrophobicContact CD1-CD2 3.89Å; L1272-L1309 HydrophobicContact CD1-CG 4.38Å |
| 1273 | L | 91.8 | Very high | 83.8 | Confident | 31 Ų | 31 | 38.3 Ų | 38.3 | 16% | 0.162 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -38.2 | 174.2 | -73.6 | 168.2 | 0 | 0 | 0 | 111.9 | D1269 Y1276 H1277 N1316 V1317 | D1269-L1273 VanDerWaalsContact O-CB 3.29Å; D1269-L1273 WeakPolarHBondContact O-CB 3.48Å; D1269-L1273 WeakPolarHBondContact O-CG 3.46Å; D1269-L1273 PolarHBondContact O-N 3.05Å; L1273-Y1276 PolarHBondContact O-N 3.28Å; L1273-H1277 VanDerWaalsContact O-CB 3.3Å; L1273-H1277 WeakPolarHBondContact O-CB 3.46Å; L1273-H1277 PolarHBondContact O-N 3.49Å; L1273-N1316 HydrophobicContact CD1-CB 4.24Å; L1273-N1316 HydrophobicContact CD2-CB 4.07Å; L1273-V1317 HydrophobicContact CD2-CG2 3.92Å |
| 1274 | C | 93.1 | Very high | 86.5 | Confident | 23 Ų | 23 | 33 Ų | 33 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -48 | 172.5 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | Q1216 Q1270 L1271 L1272 Y1276 H1277 C1278 | Q1216-C1274 HydrophobicContact CG-CB 4.42Å; Q1270-C1274 VanDerWaalsContact O-CB 3.25Å; Q1270-C1274 WeakPolarHBondContact O-CB 3.16Å; Q1270-C1274 PolarHBondContact O-N 3.25Å; L1271-C1274 WeakPolarHBondContact O-CB 3.32Å; L1271-C1274 PolarHBondContact O-N 2.86Å; L1272-C1274 VanDerWaalsContact C-N 3.33Å; L1272-C1274 PolarHBondContact O-N 2.97Å; C1274-Y1276 PolarHBondContact O-N 3.03Å; C1274-H1277 PolarHBondContact O-N 3.02Å; C1274-C1278 WeakPolarHBondContact O-CB 3.44Å; C1274-C1278 PolarHBondContact O-N 3.3Å; C1274-C1278 PolarHBondContact O-SG 3.5Å |
| 1275 | L | 94.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.3 | -47.3 | 175.9 | 179.4 | 56.4 | 0 | 0 | 0 | 112.3 | M1219 L1242 L1271 L1272 H1277 C1278 L1279 T1301 | M1219-L1275 HydrophobicContact SD-CB 3.68Å; M1219-L1275 HydrophobicContact SD-CD1 4.03Å; M1219-L1275 HydrophobicContact SD-CG 4.35Å; L1242-L1275 HydrophobicContact CB-CD1 3.87Å; L1242-L1275 HydrophobicContact CD2-CD1 3.97Å; L1242-L1275 HydrophobicContact CG-CD1 4.43Å; L1242-L1275 WeakPolarHBondContact O-CD1 3.37Å; L1271-L1275 PolarHBondContact O-N 2.79Å; L1272-L1275 WeakPolarHBondContact O-CB 3.38Å; L1272-L1275 PolarHBondContact O-N 3.21Å; L1275-H1277 VanDerWaalsContact C-N 3.35Å; L1275-H1277 PolarHBondContact O-N 2.88Å; L1275-C1278 PolarHBondContact O-N 2.73Å; L1275-L1279 HydrophobicContact CD1-CD1 4Å; L1275-L1279 HydrophobicContact CD1-CG 4.45Å; L1275-L1279 HydrophobicContact CG-CD1 4.14Å; L1275-L1279 WeakPolarHBondContact O-CG 3.36Å; L1275-L1279 PolarHBondContact O-N 3.42Å; L1275-T1301 HydrophobicContact CD2-CG2 3.87Å |
| 1276 | Y | 95.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.8 | -36.7 | 178.7 | -57.8 | -34.9 | 0 | 0 | 0 | 112.1 | L1272 L1273 C1274 S1280 L1298 T1301 V1302 L1309 V1317 | L1272-Y1276 HydrophobicContact CB-CE2 3.88Å; L1272-Y1276 WeakPolarHBondContact O-CB 3.43Å; L1272-Y1276 WeakPolarHBondContact O-CD2 3.42Å; L1272-Y1276 PolarHBondContact O-N 3.13Å; L1273-Y1276 PolarHBondContact O-N 3.28Å; C1274-Y1276 PolarHBondContact O-N 3.03Å; Y1276-S1280 WeakPolarHBondContact O-CB 3.37Å; Y1276-S1280 PolarHBondContact O-N 3.31Å; Y1276-L1298 HydrophobicContact CD1-CD1 4.05Å; Y1276-L1298 HydrophobicContact CG-CD1 4.3Å; Y1276-T1301 HydrophobicContact CD1-CG2 4.35Å; Y1276-T1301 HydrophobicContact CE1-CG2 3.74Å; Y1276-V1302 HydrophobicContact CD1-CG2 3.61Å; Y1276-V1302 HydrophobicContact CD2-CG2 4.28Å; Y1276-V1302 HydrophobicContact CE1-CB 4.38Å; Y1276-V1302 HydrophobicContact CE1-CG2 3.48Å; Y1276-V1302 VanDerWaalsContact CE1-CG2 3.48Å; Y1276-V1302 HydrophobicContact CE2-CG2 4.19Å; Y1276-V1302 HydrophobicContact CG-CG2 4.03Å; Y1276-L1309 HydrophobicContact CE2-CD1 4.14Å; Y1276-L1309 HydrophobicContact CE2-CD2 4.4Å; Y1276-V1317 HydrophobicContact CD2-CG2 4.21Å; Y1276-V1317 HydrophobicContact CE2-CG2 4.22Å |
| 1277 | H | 94.6 | Very high | 91.1 | Very high | 91 Ų | 91 | 27.4 Ų | 27.4 | 42% | 0.421 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -68.3 | -41.8 | 175.6 | -169 | 86.5 | 0 | 0 | 0 | 111.9 | L1273 C1274 L1275 S1280 N1281 | L1273-H1277 VanDerWaalsContact O-CB 3.3Å; L1273-H1277 WeakPolarHBondContact O-CB 3.46Å; L1273-H1277 PolarHBondContact O-N 3.49Å; C1274-H1277 PolarHBondContact O-N 3.02Å; L1275-H1277 VanDerWaalsContact C-N 3.35Å; L1275-H1277 PolarHBondContact O-N 2.88Å; H1277-S1280 PolarHBondContact O-N 3.04Å; H1277-N1281 PolarHBondContact CD2-ND2 3.47Å; H1277-N1281 PolarHBondContact NE2-ND2 3.18Å; H1277-N1281 PolarHBondContact O-N 3.31Å; H1277-N1281 PolarHBondContact O-ND2 3.24Å |
| 1278 | C | 94.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 3% | 0.027 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.8 | -51.9 | 173.4 | -70.7 | 0 | 0 | 0 | 0 | 111.5 | A1223 L1242 C1274 L1275 S1280 N1281 L1282 | A1223-C1278 HydrophobicContact CB-CB 3.86Å; L1242-C1278 HydrophobicContact CD1-CB 4.33Å; C1274-C1278 WeakPolarHBondContact O-CB 3.44Å; C1274-C1278 PolarHBondContact O-N 3.3Å; C1274-C1278 PolarHBondContact O-SG 3.5Å; L1275-C1278 PolarHBondContact O-N 2.73Å; C1278-S1280 PolarHBondContact O-N 2.85Å; C1278-N1281 PolarHBondContact O-N 3.31Å; C1278-L1282 PolarHBondContact O-N 3.15Å |
| 1279 | L | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.8 | -40 | 177.1 | -73.1 | 164.4 | 0 | 0 | 0 | 112.3 | V1239 L1242 L1275 N1281 L1282 C1283 T1297 L1298 | V1239-L1279 HydrophobicContact CG1-CD2 4.41Å; L1242-L1279 HydrophobicContact CB-CD1 4.49Å; L1242-L1279 HydrophobicContact CB-CD2 3.85Å; L1242-L1279 HydrophobicContact CB-CG 4.2Å; L1242-L1279 HydrophobicContact CD1-CD2 3.67Å; L1242-L1279 HydrophobicContact CD1-CG 3.92Å; L1242-L1279 HydrophobicContact CG-CD2 4.42Å; L1275-L1279 HydrophobicContact CD1-CD1 4Å; L1275-L1279 HydrophobicContact CD1-CG 4.45Å; L1275-L1279 HydrophobicContact CG-CD1 4.14Å; L1275-L1279 WeakPolarHBondContact O-CG 3.36Å; L1275-L1279 PolarHBondContact O-N 3.42Å; L1279-N1281 PolarHBondContact O-N 3.02Å; L1279-L1282 PolarHBondContact O-N 3.02Å; L1279-L1282 VanDerWaalsContact O-N 3.12Å; L1279-C1283 PolarHBondContact O-N 3.1Å; L1279-C1283 VanDerWaalsContact O-N 3.08Å; L1279-C1283 PolarHBondContact O-SG 3.08Å; L1279-T1297 HydrophobicContact CD1-CG2 3.91Å; L1279-T1297 HydrophobicContact CD2-CG2 3.65Å; L1279-T1297 HydrophobicContact CG-CG2 4.46Å; L1279-L1298 HydrophobicContact CB-CB 3.97Å; L1279-L1298 HydrophobicContact CB-CD1 4.07Å |
| 1280 | S | 94.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 4% | 0.035 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.3 | -37.8 | 177.8 | -178.3 | 0 | 0 | 0 | 0 | 113.1 | Y1276 H1277 C1278 L1282 C1283 | Y1276-S1280 WeakPolarHBondContact O-CB 3.37Å; Y1276-S1280 PolarHBondContact O-N 3.31Å; H1277-S1280 PolarHBondContact O-N 3.04Å; C1278-S1280 PolarHBondContact O-N 2.85Å; S1280-L1282 VanDerWaalsContact C-N 3.31Å; S1280-L1282 PolarHBondContact O-N 3.14Å; S1280-C1283 WeakPolarHBondContact O-CB 3.39Å; S1280-C1283 PolarHBondContact O-N 3.21Å |
| 1281 | N | 92 | Very high | 91.5 | Very high | 64 Ų | 64 | 23.2 Ų | 23.2 | 34% | 0.342 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -69.6 | -27.4 | 174.4 | -69.7 | -29.1 | 0 | 0 | 0 | 112.8 | H1277 C1278 L1279 I1284 | H1277-N1281 PolarHBondContact CD2-ND2 3.47Å; H1277-N1281 PolarHBondContact NE2-ND2 3.18Å; H1277-N1281 PolarHBondContact O-N 3.31Å; H1277-N1281 PolarHBondContact O-ND2 3.24Å; C1278-N1281 PolarHBondContact O-N 3.31Å; L1279-N1281 PolarHBondContact O-N 3.02Å; N1281-I1284 WeakPolarHBondContact O-CG1 3.32Å |
| 1282 | L | 93.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -78.1 | -19.7 | 172 | -64.7 | 176.6 | 0 | 0 | 0 | 113.4 | V1239 L1242 C1278 L1279 S1280 I1284 D1285 A1294 | V1239-L1282 HydrophobicContact CG2-CD1 3.8Å; L1242-L1282 HydrophobicContact CD1-CD1 4.07Å; C1278-L1282 PolarHBondContact O-N 3.15Å; L1279-L1282 PolarHBondContact O-N 3.02Å; L1279-L1282 VanDerWaalsContact O-N 3.12Å; S1280-L1282 VanDerWaalsContact C-N 3.31Å; S1280-L1282 PolarHBondContact O-N 3.14Å; L1282-I1284 PolarHBondContact O-N 3.36Å; L1282-D1285 WeakPolarHBondContact O-CB 3.41Å; L1282-D1285 PolarHBondContact O-N 2.83Å; L1282-A1294 HydrophobicContact CB-CB 3.56Å |
| 1283 | C | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -11.2 | 174.8 | -63.4 | 0 | 0 | 0 | 0 | 113.6 | L1279 S1280 R1291 C1295 L1325 | L1279-C1283 PolarHBondContact O-N 3.1Å; L1279-C1283 VanDerWaalsContact O-N 3.08Å; L1279-C1283 PolarHBondContact O-SG 3.08Å; S1280-C1283 WeakPolarHBondContact O-CB 3.39Å; S1280-C1283 PolarHBondContact O-N 3.21Å; C1283-R1291 VanDerWaalsContact O-CD 3.32Å; C1283-R1291 WeakPolarHBondContact O-CD 3.07Å; C1283-R1291 WeakPolarHBondContact O-CG 3.35Å; C1283-C1295 VanDerWaalsContact CB-SG 3.58Å; C1283-C1295 VanDerWaalsContact SG-CA 3.53Å; C1283-C1295 PolarHBondContact SG-N 2.83Å; C1283-C1295 VanDerWaalsContact SG-N 3.36Å; C1283-C1295 VanDerWaalsContact SG-SG 3.69Å; C1283-L1325 HydrophobicContact CB-CD1 3.44Å; C1283-L1325 VanDerWaalsContact CB-CD1 3.44Å; C1283-L1325 HydrophobicContact CB-CD2 3.8Å; C1283-L1325 HydrophobicContact CB-CG 4.26Å |
| 1284 | I | 91.7 | Very high | 91.6 | Very high | 40 Ų | 40 | 26.6 Ų | 26.6 | 21% | 0.205 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 12 | 178.1 | 61.4 | 172.6 | 0 | 0 | 0 | 113.7 | N1281 L1282 L1325 K1328 V1329 W1364 | N1281-I1284 WeakPolarHBondContact O-CG1 3.32Å; L1282-I1284 PolarHBondContact O-N 3.36Å; I1284-L1325 HydrophobicContact CG2-CD1 3.83Å; I1284-K1328 HydrophobicContact CD1-CD 3.87Å; I1284-K1328 HydrophobicContact CG2-CB 4.06Å; I1284-V1329 HydrophobicContact CG2-CG2 3.95Å; I1284-W1364 HydrophobicContact CB-CH2 4.42Å |
| 1285 | D | 89.9 | Confident | 91.5 | Very high | 10 Ų | 10 | 25.6 Ų | 25.6 | 5% | 0.053 | 14% | 0.141 | C | C | . | . | trans | -52.4 | 143.5 | 173.1 | -172.5 | -74.9 | 0 | 0 | 0 | 111.7 | L1282 R1287 V1290 R1291 | L1282-D1285 WeakPolarHBondContact O-CB 3.41Å; L1282-D1285 PolarHBondContact O-N 2.83Å; D1285-R1287 PolarHBondContact O-N 3.29Å; D1285-R1287 VanDerWaalsContact O-N 3.13Å; D1285-R1287 VanDerWaalsContact OD1-CB 3.26Å; D1285-R1287 WeakPolarHBondContact OD1-CB 3.22Å; D1285-R1287 IonicContact OD1-CZ 2.73Å; D1285-R1287 PolarHBondContact OD1-N 3.2Å; D1285-R1287 IonicContact OD1-NE 3.7Å; D1285-R1287 PolarHBondContact OD1-NE 3.26Å; D1285-R1287 IonicContact OD1-NH2 3.08Å; D1285-R1287 PolarHBondContact OD1-NH2 3.21Å; D1285-R1287 IonicContact OD2-CZ 3.61Å; D1285-R1287 IonicContact OD2-NE 3.39Å; D1285-R1287 IonicContact OD2-NH2 2.7Å; D1285-R1287 PolarHBondContact OD2-NH2 2.92Å; D1285-V1290 HydrophobicContact CB-CB 4.09Å; D1285-V1290 HydrophobicContact CB-CG1 3.95Å; D1285-R1291 HydrophobicContact CB-CG 4.13Å; D1285-R1291 WeakPolarHBondContact O-CD 3.25Å; D1285-R1291 WeakPolarHBondContact O-CG 3.43Å; D1285-R1291 PolarHBondContact O-NH1 3.44Å | ||
| 1286 | P | 83.9 | Confident | 91.4 | Very high | 99 Ų | 99 | 30.1 Ų | 30.1 | 64% | 0.643 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -59.5 | -24.5 | 178.4 | 22.7 | -34 | 0 | 0 | 0 | 114.2 | R1291 | P1286-R1291 PolarHBondContact O-NH1 3.17Š|
| 1287 | R | 88.6 | Confident | 91.3 | Very high | 31 Ų | 31 | 31 Ų | 31 | 12% | 0.117 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -90.8 | 120.6 | -174.4 | -58.8 | 161.9 | -65 | 166.1 | -3.4 | 111.5 | G1226 S1227 Q1228 S1235 D1285 P1289 V1290 R1291 | G1226-R1287 PolarHBondContact O-NH2 3.27Å; S1227-R1287 PolarHBondContact O-NH2 2.9Å; Q1228-R1287 PolarHBondContact O-NH1 2.87Å; Q1228-R1287 PolarHBondContact O-NH2 3.22Å; S1235-R1287 PolarHBondContact OG-NH1 3.35Å; S1235-R1287 PolarHBondContact OG-NH2 3.49Å; D1285-R1287 PolarHBondContact O-N 3.29Å; D1285-R1287 VanDerWaalsContact O-N 3.13Å; D1285-R1287 VanDerWaalsContact OD1-CB 3.26Å; D1285-R1287 WeakPolarHBondContact OD1-CB 3.22Å; D1285-R1287 IonicContact OD1-CZ 2.73Å; D1285-R1287 PolarHBondContact OD1-N 3.2Å; D1285-R1287 IonicContact OD1-NE 3.7Å; D1285-R1287 PolarHBondContact OD1-NE 3.26Å; D1285-R1287 IonicContact OD1-NH2 3.08Å; D1285-R1287 PolarHBondContact OD1-NH2 3.21Å; D1285-R1287 IonicContact OD2-CZ 3.61Å; D1285-R1287 IonicContact OD2-NE 3.39Å; D1285-R1287 IonicContact OD2-NH2 2.7Å; D1285-R1287 PolarHBondContact OD2-NH2 2.92Å; R1287-P1289 VanDerWaalsContact C-CD 3.46Å; R1287-V1290 HydrophobicContact CB-CG2 4.22Å; R1287-V1290 PolarHBondContact O-N 3.41Å; R1287-R1291 PolarHBondContact O-N 3Å |
| 1288 | P | 85.4 | Confident | 91.4 | Very high | 34 Ų | 34 | 26.7 Ų | 26.7 | 22% | 0.221 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.7 | -37.9 | -176.9 | -23 | 30.7 | 0 | 0 | 0 | 116.3 | V1290 K1292 Q1363 | P1288-V1290 PolarHBondContact O-N 3.22Å; P1288-K1292 VanDerWaalsContact O-CB 3.28Å; P1288-K1292 WeakPolarHBondContact O-CB 3.12Å; P1288-K1292 PolarHBondContact O-N 3.49Å; P1288-Q1363 HydrophobicContact CB-CB 4.41Å; P1288-Q1363 HydrophobicContact CG-CB 3.88Å; P1288-Q1363 HydrophobicContact CG-CG 4.06Å |
| 1289 | P | 86.5 | Confident | 91.3 | Very high | 49 Ų | 49 | 27.4 Ų | 27.4 | 32% | 0.318 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 178.4 | -23.9 | 35.6 | 0 | 0 | 0 | 112.8 | L1232 L1236 R1287 K1292 S1293 M1351 | L1232-P1289 HydrophobicContact CD1-CB 4.4Å; L1232-P1289 HydrophobicContact CD2-CB 4.27Å; L1232-P1289 HydrophobicContact CD2-CG 4.15Å; L1236-P1289 HydrophobicContact CD2-CB 4.31Å; L1236-P1289 WeakPolarHBondContact CD2-O 3.4Å; R1287-P1289 VanDerWaalsContact C-CD 3.46Å; P1289-K1292 PolarHBondContact O-N 3.08Å; P1289-S1293 WeakPolarHBondContact O-CB 3.49Å; P1289-S1293 PolarHBondContact O-N 2.91Å; P1289-M1351 HydrophobicContact CG-CE 4.43Å |
| 1290 | V | 90.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.7 | -49.9 | -180 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | L1232 D1285 R1287 P1288 K1292 S1293 A1294 | L1232-V1290 HydrophobicContact CD1-CG2 3.49Å; L1232-V1290 VanDerWaalsContact CD1-CG2 3.49Å; D1285-V1290 HydrophobicContact CB-CB 4.09Å; D1285-V1290 HydrophobicContact CB-CG1 3.95Å; R1287-V1290 HydrophobicContact CB-CG2 4.22Å; R1287-V1290 PolarHBondContact O-N 3.41Å; P1288-V1290 PolarHBondContact O-N 3.22Å; V1290-K1292 VanDerWaalsContact C-N 3.3Å; V1290-K1292 PolarHBondContact O-N 3.38Å; V1290-S1293 PolarHBondContact O-N 2.72Å; V1290-A1294 WeakPolarHBondContact O-CB 3.39Å; V1290-A1294 PolarHBondContact O-N 3.34Å |
| 1291 | R | 91.9 | Very high | 91 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -53 | -48.5 | 174.8 | -65.8 | -160.9 | -63 | -88.7 | 10 | 112.4 | C1283 D1285 P1286 R1287 A1294 C1295 Q1363 W1364 T1367 | C1283-R1291 VanDerWaalsContact O-CD 3.32Å; C1283-R1291 WeakPolarHBondContact O-CD 3.07Å; C1283-R1291 WeakPolarHBondContact O-CG 3.35Å; D1285-R1291 HydrophobicContact CB-CG 4.13Å; D1285-R1291 WeakPolarHBondContact O-CD 3.25Å; D1285-R1291 WeakPolarHBondContact O-CG 3.43Å; D1285-R1291 PolarHBondContact O-NH1 3.44Å; P1286-R1291 PolarHBondContact O-NH1 3.17Å; R1287-R1291 PolarHBondContact O-N 3Å; R1291-A1294 PolarHBondContact O-N 3.48Å; R1291-C1295 WeakPolarHBondContact O-CB 3.31Å; R1291-C1295 PolarHBondContact O-N 2.99Å; R1291-C1295 PolarHBondContact O-SG 3.43Å; R1291-Q1363 PolarHBondContact NH2-O 3.14Å; R1291-W1364 VanDerWaalsContact CD-CH2 3.46Å; R1291-T1367 HydrophobicContact CB-CG2 4.12Å; R1291-T1367 PolarHBondContact NE-OG1 2.75Å |
| 1292 | K | 89 | Confident | 91 | Very high | 71 Ų | 71 | 26.7 Ų | 26.7 | 31% | 0.309 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -64.7 | -43.2 | -175.6 | -176.4 | 166 | -177.8 | 171.9 | 0 | 111.6 | P1288 P1289 V1290 Q1296 E1366 L1370 | P1288-K1292 VanDerWaalsContact O-CB 3.28Å; P1288-K1292 WeakPolarHBondContact O-CB 3.12Å; P1288-K1292 PolarHBondContact O-N 3.49Å; P1289-K1292 PolarHBondContact O-N 3.08Å; V1290-K1292 VanDerWaalsContact C-N 3.3Å; V1290-K1292 PolarHBondContact O-N 3.38Å; K1292-Q1296 WeakPolarHBondContact O-CB 3.47Å; K1292-Q1296 VanDerWaalsContact O-CG 3.31Å; K1292-Q1296 WeakPolarHBondContact O-CG 3.42Å; K1292-Q1296 PolarHBondContact O-N 3.22Å; K1292-Q1296 VanDerWaalsContact O-N 3.1Å; K1292-E1366 IonicContact NZ-OE1 2.71Å; K1292-E1366 PolarHBondContact NZ-OE1 3.49Å; K1292-E1366 IonicContact NZ-OE2 3.84Å; K1292-L1370 HydrophobicContact CG-CD2 4.02Å |
| 1293 | S | 92.1 | Very high | 90.9 | Very high | 32 Ų | 32 | 28.7 Ų | 28.7 | 22% | 0.224 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.2 | -50.6 | 173.7 | -164.2 | 0 | 0 | 0 | 0 | 110.8 | V1239 P1289 V1290 C1295 Q1296 T1297 | V1239-S1293 WeakPolarHBondContact CG1-OG 3.44Å; P1289-S1293 WeakPolarHBondContact O-CB 3.49Å; P1289-S1293 PolarHBondContact O-N 2.91Å; V1290-S1293 PolarHBondContact O-N 2.72Å; S1293-C1295 PolarHBondContact O-N 2.99Å; S1293-Q1296 PolarHBondContact O-N 3.4Å; S1293-T1297 PolarHBondContact O-N 2.94Å; S1293-T1297 PolarHBondContact O-OG1 3.02Å |
| 1294 | A | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1239 L1282 V1290 R1291 T1297 L1298 | V1239-A1294 HydrophobicContact CG2-CB 4.3Å; L1282-A1294 HydrophobicContact CB-CB 3.56Å; V1290-A1294 WeakPolarHBondContact O-CB 3.39Å; V1290-A1294 PolarHBondContact O-N 3.34Å; R1291-A1294 PolarHBondContact O-N 3.48Å; A1294-T1297 PolarHBondContact O-N 2.93Å; A1294-L1298 VanDerWaalsContact O-CB 3.28Å; A1294-L1298 WeakPolarHBondContact O-CB 3.36Å; A1294-L1298 PolarHBondContact O-N 2.97Å |
| 1295 | C | 91.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.6 | -48.8 | 174.4 | -69.8 | 0 | 0 | 0 | 0 | 110.9 | C1283 R1291 S1293 T1297 L1299 L1370 | C1283-C1295 VanDerWaalsContact CB-SG 3.58Å; C1283-C1295 VanDerWaalsContact SG-CA 3.53Å; C1283-C1295 PolarHBondContact SG-N 2.83Å; C1283-C1295 VanDerWaalsContact SG-N 3.36Å; C1283-C1295 VanDerWaalsContact SG-SG 3.69Å; R1291-C1295 WeakPolarHBondContact O-CB 3.31Å; R1291-C1295 PolarHBondContact O-N 2.99Å; R1291-C1295 PolarHBondContact O-SG 3.43Å; S1293-C1295 PolarHBondContact O-N 2.99Å; C1295-T1297 PolarHBondContact O-N 2.96Å; C1295-L1299 WeakPolarHBondContact O-CB 3.37Å; C1295-L1299 WeakPolarHBondContact O-CD1 3.23Å; C1295-L1299 WeakPolarHBondContact O-CG 3.49Å; C1295-L1299 PolarHBondContact O-N 3.12Å; C1295-L1299 VanDerWaalsContact O-N 3.08Å; C1295-L1370 HydrophobicContact CB-CD2 3.7Å; C1295-L1370 HydrophobicContact CB-CG 4.18Å |
| 1296 | Q | 92.5 | Very high | 90.4 | Very high | 96 Ų | 96 | 29 Ų | 29 | 45% | 0.449 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 179.9 | -74.4 | -177.6 | -29.2 | 0 | 0 | 111.8 | K1292 S1293 S1300 L1370 | K1292-Q1296 WeakPolarHBondContact O-CB 3.47Å; K1292-Q1296 VanDerWaalsContact O-CG 3.31Å; K1292-Q1296 WeakPolarHBondContact O-CG 3.42Å; K1292-Q1296 PolarHBondContact O-N 3.22Å; K1292-Q1296 VanDerWaalsContact O-N 3.1Å; S1293-Q1296 PolarHBondContact O-N 3.4Å; Q1296-S1300 WeakPolarHBondContact O-CB 3.3Å; Q1296-S1300 PolarHBondContact O-N 3.25Å; Q1296-S1300 PolarHBondContact O-OG 3.08Å; Q1296-L1370 HydrophobicContact CG-CD1 4.17Å; Q1296-L1370 HydrophobicContact CG-CD2 4.15Å |
| 1297 | T | 93.8 | Very high | 90.5 | Very high | 19 Ų | 19 | 28 Ų | 28 | 12% | 0.117 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.6 | -56.9 | 174.7 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | V1239 W1243 L1279 S1293 A1294 C1295 L1299 S1300 T1301 | V1239-T1297 HydrophobicContact CG1-CG2 4.45Å; V1239-T1297 WeakPolarHBondContact CG1-OG1 3.43Å; W1243-T1297 HydrophobicContact CB-CG2 3.95Å; W1243-T1297 HydrophobicContact CE3-CG2 4.46Å; L1279-T1297 HydrophobicContact CD1-CG2 3.91Å; L1279-T1297 HydrophobicContact CD2-CG2 3.65Å; L1279-T1297 HydrophobicContact CG-CG2 4.46Å; S1293-T1297 PolarHBondContact O-N 2.94Å; S1293-T1297 PolarHBondContact O-OG1 3.02Å; A1294-T1297 PolarHBondContact O-N 2.93Å; C1295-T1297 PolarHBondContact O-N 2.96Å; T1297-L1299 VanDerWaalsContact C-N 3.31Å; T1297-L1299 PolarHBondContact O-N 3.44Å; T1297-S1300 CarbonylContact O-C 3.41Å; T1297-S1300 WeakPolarHBondContact O-CA 3.37Å; T1297-S1300 PolarHBondContact O-N 3.05Å; T1297-T1301 PolarHBondContact O-N 2.87Å; T1297-T1301 PolarHBondContact O-OG1 3.37Å |
| 1298 | L | 95 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -47.6 | -53.5 | 180 | 175.6 | 58.7 | 0 | 0 | 0 | 112.1 | Y1276 L1279 A1294 S1300 T1301 V1302 V1321 L1322 L1325 | Y1276-L1298 HydrophobicContact CD1-CD1 4.05Å; Y1276-L1298 HydrophobicContact CG-CD1 4.3Å; L1279-L1298 HydrophobicContact CB-CB 3.97Å; L1279-L1298 HydrophobicContact CB-CD1 4.07Å; A1294-L1298 VanDerWaalsContact O-CB 3.28Å; A1294-L1298 WeakPolarHBondContact O-CB 3.36Å; A1294-L1298 PolarHBondContact O-N 2.97Å; L1298-S1300 VanDerWaalsContact C-N 3.35Å; L1298-S1300 PolarHBondContact O-N 3.5Å; L1298-T1301 PolarHBondContact O-N 3.44Å; L1298-V1302 HydrophobicContact CD1-CG2 4.21Å; L1298-V1302 WeakPolarHBondContact O-CG2 3.09Å; L1298-V1302 PolarHBondContact O-N 3.26Å; L1298-V1321 HydrophobicContact CD1-CG1 4.4Å; L1298-V1321 HydrophobicContact CD2-CG1 4.49Å; L1298-L1322 HydrophobicContact CD2-CD2 4.41Å; L1298-L1325 HydrophobicContact CD2-CD2 3.54Å |
| 1299 | L | 92.7 | Very high | 90.5 | Very high | 19 Ų | 19 | 26.7 Ų | 26.7 | 10% | 0.099 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -43.3 | -179.4 | -66.7 | 166.8 | 0 | 0 | 0 | 110.7 | C1295 T1297 M1303 V1375 V1378 | C1295-L1299 WeakPolarHBondContact O-CB 3.37Å; C1295-L1299 WeakPolarHBondContact O-CD1 3.23Å; C1295-L1299 WeakPolarHBondContact O-CG 3.49Å; C1295-L1299 PolarHBondContact O-N 3.12Å; C1295-L1299 VanDerWaalsContact O-N 3.08Å; T1297-L1299 VanDerWaalsContact C-N 3.31Å; T1297-L1299 PolarHBondContact O-N 3.44Å; L1299-M1303 VanDerWaalsContact O-CB 3.24Å; L1299-M1303 WeakPolarHBondContact O-CB 3.47Å; L1299-M1303 WeakPolarHBondContact O-CG 3.42Å; L1299-M1303 PolarHBondContact O-N 3.21Å; L1299-V1375 HydrophobicContact CD2-CG2 4.49Å; L1299-V1378 HydrophobicContact CD2-CG2 4.23Å |
| 1300 | S | 92.3 | Very high | 90.4 | Very high | 53 Ų | 53 | 29.6 Ų | 29.6 | 37% | 0.371 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.7 | -37.3 | 178.6 | -57.3 | 0 | 0 | 0 | 0 | 112.8 | Q1296 T1297 L1298 M1303 S1304 | Q1296-S1300 WeakPolarHBondContact O-CB 3.3Å; Q1296-S1300 PolarHBondContact O-N 3.25Å; Q1296-S1300 PolarHBondContact O-OG 3.08Å; T1297-S1300 CarbonylContact O-C 3.41Å; T1297-S1300 WeakPolarHBondContact O-CA 3.37Å; T1297-S1300 PolarHBondContact O-N 3.05Å; L1298-S1300 VanDerWaalsContact C-N 3.35Å; L1298-S1300 PolarHBondContact O-N 3.5Å; S1300-M1303 PolarHBondContact O-N 2.97Å; S1300-S1304 VanDerWaalsContact O-CB 3.31Å; S1300-S1304 WeakPolarHBondContact O-CB 3.48Å; S1300-S1304 PolarHBondContact O-N 3.09Å; S1300-S1304 PolarHBondContact O-OG 3.25Å |
| 1301 | T | 92 | Very high | 89.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.2 | -47.1 | 178.1 | -50.7 | 0 | 0 | 0 | 0 | 109.9 | L1275 Y1276 T1297 L1298 M1303 S1304 H1305 | L1275-T1301 HydrophobicContact CD2-CG2 3.87Å; Y1276-T1301 HydrophobicContact CD1-CG2 4.35Å; Y1276-T1301 HydrophobicContact CE1-CG2 3.74Å; T1297-T1301 PolarHBondContact O-N 2.87Å; T1297-T1301 PolarHBondContact O-OG1 3.37Å; L1298-T1301 PolarHBondContact O-N 3.44Å; T1301-M1303 VanDerWaalsContact C-N 3.35Å; T1301-M1303 PolarHBondContact O-N 3.47Å; T1301-S1304 PolarHBondContact O-N 2.82Å; T1301-H1305 WeakPolarHBondContact CG2-ND1 3.43Å; T1301-H1305 WeakPolarHBondContact O-CB 3.37Å; T1301-H1305 PolarHBondContact O-N 2.83Å |
| 1302 | V | 91.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 173.9 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | Y1276 L1298 S1304 G1306 W1314 V1317 V1378 | Y1276-V1302 HydrophobicContact CD1-CG2 3.61Å; Y1276-V1302 HydrophobicContact CD2-CG2 4.28Å; Y1276-V1302 HydrophobicContact CE1-CB 4.38Å; Y1276-V1302 HydrophobicContact CE1-CG2 3.48Å; Y1276-V1302 VanDerWaalsContact CE1-CG2 3.48Å; Y1276-V1302 HydrophobicContact CE2-CG2 4.19Å; Y1276-V1302 HydrophobicContact CG-CG2 4.03Å; L1298-V1302 HydrophobicContact CD1-CG2 4.21Å; L1298-V1302 WeakPolarHBondContact O-CG2 3.09Å; L1298-V1302 PolarHBondContact O-N 3.26Å; V1302-S1304 PolarHBondContact O-N 3Å; V1302-G1306 WeakPolarHBondContact O-CA 3.39Å; V1302-G1306 PolarHBondContact O-N 3.01Å; V1302-W1314 HydrophobicContact CG1-CH2 3.92Å; V1302-W1314 HydrophobicContact CG1-CZ3 3.92Å; V1302-V1317 HydrophobicContact CG1-CG1 4.33Å; V1302-V1378 HydrophobicContact CG1-CG1 3.78Å; V1302-V1378 HydrophobicContact CG1-CG2 4.17Å |
| 1303 | M | 89.9 | Confident | 89.1 | Confident | 47 Ų | 47 | 32 Ų | 32 | 23% | 0.232 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -38 | 175.9 | -74.4 | -76.4 | -52.8 | 0 | 0 | 112.9 | L1299 S1300 T1301 K1377 V1378 S1381 K1382 | L1299-M1303 VanDerWaalsContact O-CB 3.24Å; L1299-M1303 WeakPolarHBondContact O-CB 3.47Å; L1299-M1303 WeakPolarHBondContact O-CG 3.42Å; L1299-M1303 PolarHBondContact O-N 3.21Å; S1300-M1303 PolarHBondContact O-N 2.97Å; T1301-M1303 VanDerWaalsContact C-N 3.35Å; T1301-M1303 PolarHBondContact O-N 3.47Å; M1303-K1377 HydrophobicContact CE-CG 4.32Å; M1303-K1377 HydrophobicContact SD-CG 4.24Å; M1303-V1378 HydrophobicContact CG-CG2 4.04Å; M1303-V1378 HydrophobicContact SD-CB 4.47Å; M1303-V1378 HydrophobicContact SD-CG2 3.94Å; M1303-S1381 WeakPolarHBondContact CE-OG 3.26Å; M1303-S1381 PolarHBondContact SD-OG 3.01Å; M1303-K1382 WeakPolarHBondContact O-CE 3.27Å; M1303-K1382 PolarHBondContact O-NZ 2.91Å |
| 1304 | S | 89.3 | Confident | 88.9 | Confident | 54 Ų | 54 | 30.6 Ų | 30.6 | 38% | 0.378 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -90.9 | -53.8 | -173.9 | -52.5 | 0 | 0 | 0 | 0 | 111.9 | S1300 T1301 V1302 | S1300-S1304 VanDerWaalsContact O-CB 3.31Å; S1300-S1304 WeakPolarHBondContact O-CB 3.48Å; S1300-S1304 PolarHBondContact O-N 3.09Å; S1300-S1304 PolarHBondContact O-OG 3.25Å; T1301-S1304 PolarHBondContact O-N 2.82Å; V1302-S1304 PolarHBondContact O-N 3Å |
| 1305 | H | 89.1 | Confident | 88.6 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -95.6 | -15.1 | -168.2 | -44.7 | 131.1 | 0 | 0 | 0 | 113.5 | W1243 G1246 D1247 Y1250 T1301 V1307 L1308 | W1243-H1305 AromaticContact CH2-CE1 3.91Å; G1246-H1305 VanDerWaalsContact C-CE1 3.44Å; D1247-H1305 PolarHBondContact N-CE1 3.47Å; D1247-H1305 IonicContact OD1-CD2 3.21Å; D1247-H1305 IonicContact OD1-CE1 2.66Å; D1247-H1305 IonicContact OD1-NE2 3.45Å; D1247-H1305 PolarHBondContact OD1-NE2 3.05Å; Y1250-H1305 WeakPolarHBondContact CB-CD2 3.26Å; Y1250-H1305 HydrophobicContact CD2-CB 4.17Å; Y1250-H1305 AromaticContact CD2-CD2 3.83Å; Y1250-H1305 AromaticContact CG-CD2 3.52Å; T1301-H1305 WeakPolarHBondContact CG2-ND1 3.43Å; T1301-H1305 WeakPolarHBondContact O-CB 3.37Å; T1301-H1305 PolarHBondContact O-N 2.83Å; H1305-V1307 PolarHBondContact O-N 2.89Å; H1305-L1308 WeakPolarHBondContact O-CB 3.41Å; H1305-L1308 PolarHBondContact O-N 3.46Å |
| 1306 | G | 86 | Confident | 88.4 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -58.9 | -11.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | V1302 L1308 L1309 W1314 | V1302-G1306 WeakPolarHBondContact O-CA 3.39Å; V1302-G1306 PolarHBondContact O-N 3.01Å; G1306-L1308 PolarHBondContact O-N 2.83Å; G1306-L1309 WeakPolarHBondContact O-CB 2.94Å; G1306-L1309 PolarHBondContact O-N 3.06Å; G1306-W1314 VanDerWaalsContact O-CZ2 3.31Å; G1306-W1314 WeakPolarHBondContact O-CZ2 3.05Å |
| 1307 | V | 86.3 | Confident | 88.3 | Confident | 78 Ų | 78 | 33.7 Ų | 33.7 | 47% | 0.473 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -65.9 | -16.8 | 171.2 | -170.4 | 0 | 0 | 0 | 0 | 112.1 | H1305 L1385 | H1305-V1307 PolarHBondContact O-N 2.89Å; V1307-L1385 HydrophobicContact CG2-CD1 4.32Å |
| 1308 | L | 86.8 | Confident | 88 | Confident | 24 Ų | 24 | 32.9 Ų | 32.9 | 13% | 0.126 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -78.6 | -15.2 | 174.1 | -70.5 | -173.7 | 0 | 0 | 0 | 114.6 | Y1250 P1253 R1256 V1268 L1272 H1305 G1306 | Y1250-L1308 HydrophobicContact CD2-CD1 4.12Å; Y1250-L1308 HydrophobicContact CD2-CG 4.15Å; P1253-L1308 HydrophobicContact CB-CD1 4.13Å; P1253-L1308 HydrophobicContact CB-CD2 4.36Å; R1256-L1308 PolarHBondContact NH2-O 2.67Å; V1268-L1308 HydrophobicContact CG1-CD1 4.27Å; L1272-L1308 HydrophobicContact CD1-CB 3.89Å; H1305-L1308 WeakPolarHBondContact O-CB 3.41Å; H1305-L1308 PolarHBondContact O-N 3.46Å; G1306-L1308 PolarHBondContact O-N 2.83Å |
| 1309 | L | 87.2 | Confident | 87.6 | Confident | 13 Ų | 13 | 35.7 Ų | 35.7 | 7% | 0.068 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -74.4 | 150.8 | -178.3 | -62 | 170.6 | 0 | 0 | 0 | 112.1 | D1269 L1272 Y1276 G1306 W1314 V1317 | D1269-L1309 HydrophobicContact CB-CD2 4.48Å; L1272-L1309 HydrophobicContact CB-CD2 4.04Å; L1272-L1309 HydrophobicContact CD1-CD2 3.89Å; L1272-L1309 HydrophobicContact CD1-CG 4.38Å; Y1276-L1309 HydrophobicContact CE2-CD1 4.14Å; Y1276-L1309 HydrophobicContact CE2-CD2 4.4Å; G1306-L1309 WeakPolarHBondContact O-CB 2.94Å; G1306-L1309 PolarHBondContact O-N 3.06Å; L1309-W1314 HydrophobicContact CD1-CD2 4.27Å; L1309-W1314 HydrophobicContact CD1-CZ2 4.14Å; L1309-V1317 HydrophobicContact CD1-CG2 3.67Å |
| 1310 | Q | 84.3 | Confident | 87.3 | Confident | 110 Ų | 110 | 40.1 Ų | 40.1 | 51% | 0.514 | 22% | 0.219 | S | C | . | . | trans | -74.6 | 155.3 | 165.7 | -57.8 | -175.4 | 18.1 | 0 | 0 | 111.1 | D1269 S1312 S1313 W1314 | D1269-Q1310 PolarHBondContact OD2-N 2.9Å; Q1310-S1312 VanDerWaalsContact C-N 3.28Å; Q1310-S1312 PolarHBondContact O-N 2.81Å; Q1310-S1313 WeakPolarHBondContact O-CB 3.25Å; Q1310-S1313 PolarHBondContact O-N 3.4Å; Q1310-W1314 PolarHBondContact O-N 2.94Å | ||
| 1311 | A | 77.2 | Confident | 87.3 | Confident | 31 Ų | 31 | 37.7 Ų | 37.7 | 26% | 0.256 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -56.9 | -40.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1313 W1314 D1388 L1389 | A1311-S1313 VanDerWaalsContact C-N 3.33Å; A1311-S1313 PolarHBondContact O-N 2.99Å; A1311-W1314 PolarHBondContact O-N 3.48Å; A1311-D1388 HydrophobicContact CB-CB 3.6Å; A1311-L1389 WeakPolarHBondContact O-CD2 3.5Å |
| 1312 | S | 79.2 | Confident | 87.3 | Confident | 76 Ų | 76 | 37.8 Ų | 37.8 | 53% | 0.531 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.1 | -37.2 | 172.4 | 45.5 | 0 | 0 | 0 | 0 | 113.3 | Q1310 W1314 R1315 | Q1310-S1312 VanDerWaalsContact C-N 3.28Å; Q1310-S1312 PolarHBondContact O-N 2.81Å; S1312-W1314 VanDerWaalsContact C-N 3.29Å; S1312-W1314 PolarHBondContact O-N 3Å; S1312-R1315 WeakPolarHBondContact O-CB 3.36Å; S1312-R1315 PolarHBondContact O-N 3.09Å |
| 1313 | S | 87.3 | Confident | 87.2 | Confident | 15 Ų | 15 | 38 Ų | 38 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.4 | -23.2 | 179.8 | -53 | 0 | 0 | 0 | 0 | 113.2 | D1269 Q1310 A1311 R1315 N1316 V1317 | D1269-S1313 VanDerWaalsContact OD2-CB 3.25Å; D1269-S1313 WeakPolarHBondContact OD2-CB 3.21Å; D1269-S1313 PolarHBondContact OD2-OG 2.91Å; Q1310-S1313 WeakPolarHBondContact O-CB 3.25Å; Q1310-S1313 PolarHBondContact O-N 3.4Å; A1311-S1313 VanDerWaalsContact C-N 3.33Å; A1311-S1313 PolarHBondContact O-N 2.99Å; S1313-R1315 VanDerWaalsContact C-N 3.26Å; S1313-R1315 PolarHBondContact O-N 2.84Å; S1313-N1316 WeakPolarHBondContact O-CB 3.36Å; S1313-N1316 PolarHBondContact O-N 3.01Å; S1313-N1316 VanDerWaalsContact O-N 3.12Å; S1313-V1317 PolarHBondContact O-N 2.84Å; S1313-V1317 VanDerWaalsContact O-N 3.09Å |
| 1314 | W | 88.9 | Confident | 87.3 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.4 | -31.8 | 173.6 | -81.6 | 97.1 | 0 | 0 | 0 | 112.6 | V1302 G1306 L1309 Q1310 A1311 S1312 N1316 V1317 F1318 V1378 K1382 L1386 L1389 | V1302-W1314 HydrophobicContact CG1-CH2 3.92Å; V1302-W1314 HydrophobicContact CG1-CZ3 3.92Å; G1306-W1314 VanDerWaalsContact O-CZ2 3.31Å; G1306-W1314 WeakPolarHBondContact O-CZ2 3.05Å; L1309-W1314 HydrophobicContact CD1-CD2 4.27Å; L1309-W1314 HydrophobicContact CD1-CZ2 4.14Å; Q1310-W1314 PolarHBondContact O-N 2.94Å; A1311-W1314 PolarHBondContact O-N 3.48Å; S1312-W1314 VanDerWaalsContact C-N 3.29Å; S1312-W1314 PolarHBondContact O-N 3Å; W1314-N1316 VanDerWaalsContact C-N 3.27Å; W1314-N1316 PolarHBondContact O-N 3.2Å; W1314-V1317 HydrophobicContact CE3-CB 4.33Å; W1314-V1317 HydrophobicContact CE3-CG1 4.27Å; W1314-V1317 HydrophobicContact CZ3-CG1 4.26Å; W1314-V1317 PolarHBondContact O-N 2.67Å; W1314-F1318 AromaticContact CE3-CE2 3.97Å; W1314-F1318 HydrophobicContact CE3-CE2 3.97Å; W1314-F1318 HydrophobicContact CE3-CZ 4.4Å; W1314-F1318 WeakPolarHBondContact O-CD2 3.48Å; W1314-F1318 PolarHBondContact O-N 3.37Å; W1314-V1378 HydrophobicContact CH2-CG1 4.44Å; W1314-V1378 HydrophobicContact CZ3-CG1 3.96Å; W1314-K1382 HydrophobicContact CH2-CB 4.24Å; W1314-K1382 HydrophobicContact CH2-CD 4.15Å; W1314-K1382 HydrophobicContact CH2-CG 3.75Å; W1314-K1382 HydrophobicContact CZ2-CD 4.27Å; W1314-K1382 HydrophobicContact CZ2-CG 4.24Å; W1314-K1382 HydrophobicContact CZ3-CG 4.41Å; W1314-L1386 HydrophobicContact CB-CD2 4.25Å; W1314-L1386 HydrophobicContact CD2-CD2 4.02Å; W1314-L1386 HydrophobicContact CE3-CD2 4.1Å; W1314-L1386 HydrophobicContact CG-CD2 4.1Å; W1314-L1389 HydrophobicContact CB-CD1 4.2Å; W1314-L1389 HydrophobicContact CB-CD2 4.38Å; W1314-L1389 HydrophobicContact CB-CG 4.5Å |
| 1315 | R | 86.8 | Confident | 87.5 | Confident | 112 Ų | 112 | 35.5 Ų | 35.5 | 42% | 0.423 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -55.7 | -44.3 | 171.3 | 178.9 | -175.5 | 154.7 | 96 | 4.2 | 110.8 | S1312 S1313 F1318 L1319 L1389 D1393 | S1312-R1315 WeakPolarHBondContact O-CB 3.36Å; S1312-R1315 PolarHBondContact O-N 3.09Å; S1313-R1315 VanDerWaalsContact C-N 3.26Å; S1313-R1315 PolarHBondContact O-N 2.84Å; R1315-F1318 PolarHBondContact O-N 3.01Å; R1315-L1319 HydrophobicContact CG-CD1 3.69Å; R1315-L1319 HydrophobicContact CG-CG 4.31Å; R1315-L1319 WeakPolarHBondContact O-CB 3.37Å; R1315-L1319 WeakPolarHBondContact O-CG 3.29Å; R1315-L1319 PolarHBondContact O-N 2.7Å; R1315-L1389 HydrophobicContact CB-CD2 4.26Å; R1315-D1393 WeakPolarHBondContact CD-OD1 3.41Å; R1315-D1393 IonicContact CZ-OD1 3.25Å; R1315-D1393 IonicContact NE-OD1 3.28Å; R1315-D1393 IonicContact NH1-OD1 3.66Å; R1315-D1393 PolarHBondContact NH1-OD1 2.82Å |
| 1316 | N | 87.3 | Confident | 87.5 | Confident | 49 Ų | 49 | 35.4 Ų | 35.4 | 26% | 0.262 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -69.6 | -39.6 | 178.7 | -70.1 | 40 | 0 | 0 | 0 | 111.7 | L1273 S1313 W1314 F1318 L1319 E1320 V1321 | L1273-N1316 HydrophobicContact CD1-CB 4.24Å; L1273-N1316 HydrophobicContact CD2-CB 4.07Å; S1313-N1316 WeakPolarHBondContact O-CB 3.36Å; S1313-N1316 PolarHBondContact O-N 3.01Å; S1313-N1316 VanDerWaalsContact O-N 3.12Å; W1314-N1316 VanDerWaalsContact C-N 3.27Å; W1314-N1316 PolarHBondContact O-N 3.2Å; N1316-F1318 VanDerWaalsContact C-N 3.3Å; N1316-F1318 PolarHBondContact O-N 3.46Å; N1316-L1319 PolarHBondContact O-N 2.75Å; N1316-E1320 HydrophobicContact CB-CG 4.33Å; N1316-E1320 WeakPolarHBondContact CB-OE2 3.36Å; N1316-E1320 VanDerWaalsContact ND2-CD 3.29Å; N1316-E1320 PolarHBondContact ND2-OE1 3.14Å; N1316-E1320 PolarHBondContact ND2-OE2 3.13Å; N1316-E1320 WeakPolarHBondContact O-CA 3.1Å; N1316-E1320 VanDerWaalsContact O-CB 3.24Å; N1316-E1320 WeakPolarHBondContact O-CB 3.44Å; N1316-E1320 PolarHBondContact O-N 3.39Å; N1316-V1321 PolarHBondContact O-N 2.8Å |
| 1317 | V | 90.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -57 | -43.5 | 173.7 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | L1273 Y1276 V1302 L1309 S1313 W1314 V1321 L1322 | L1273-V1317 HydrophobicContact CD2-CG2 3.92Å; Y1276-V1317 HydrophobicContact CD2-CG2 4.21Å; Y1276-V1317 HydrophobicContact CE2-CG2 4.22Å; V1302-V1317 HydrophobicContact CG1-CG1 4.33Å; L1309-V1317 HydrophobicContact CD1-CG2 3.67Å; S1313-V1317 PolarHBondContact O-N 2.84Å; S1313-V1317 VanDerWaalsContact O-N 3.09Å; W1314-V1317 HydrophobicContact CE3-CB 4.33Å; W1314-V1317 HydrophobicContact CE3-CG1 4.27Å; W1314-V1317 HydrophobicContact CZ3-CG1 4.26Å; W1314-V1317 PolarHBondContact O-N 2.67Å; V1317-V1321 WeakPolarHBondContact O-CB 3.22Å; V1317-V1321 PolarHBondContact O-N 3.35Å; V1317-L1322 HydrophobicContact CG1-CD1 3.82Å; V1317-L1322 HydrophobicContact CG1-CG 4.05Å; V1317-L1322 WeakPolarHBondContact O-CG 3.27Å; V1317-L1322 PolarHBondContact O-N 3.45Å |
| 1318 | F | 88.3 | Confident | 87.9 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -72 | -53.4 | 176.1 | -72.8 | -66.1 | 0 | 0 | 0 | 113 | W1314 R1315 N1316 L1322 F1323 L1379 L1386 A1397 | W1314-F1318 AromaticContact CE3-CE2 3.97Å; W1314-F1318 HydrophobicContact CE3-CE2 3.97Å; W1314-F1318 HydrophobicContact CE3-CZ 4.4Å; W1314-F1318 WeakPolarHBondContact O-CD2 3.48Å; W1314-F1318 PolarHBondContact O-N 3.37Å; R1315-F1318 PolarHBondContact O-N 3.01Å; N1316-F1318 VanDerWaalsContact C-N 3.3Å; N1316-F1318 PolarHBondContact O-N 3.46Å; F1318-L1322 HydrophobicContact CD1-CD1 4.13Å; F1318-L1322 HydrophobicContact CE1-CD1 4.12Å; F1318-F1323 HydrophobicContact CB-CD2 4.13Å; F1318-F1323 HydrophobicContact CB-CE2 3.74Å; F1318-F1323 HydrophobicContact CB-CZ 4.18Å; F1318-F1323 HydrophobicContact CD1-CE1 4.16Å; F1318-F1323 HydrophobicContact CD1-CE2 4.23Å; F1318-F1323 AromaticContact CD1-CZ 3.78Å; F1318-F1323 HydrophobicContact CD1-CZ 3.78Å; F1318-F1323 HydrophobicContact CG-CE2 4.31Å; F1318-F1323 HydrophobicContact CG-CZ 4.28Å; F1318-F1323 WeakPolarHBondContact O-CB 3.15Å; F1318-F1323 WeakPolarHBondContact O-CD2 3.17Å; F1318-F1323 WeakPolarHBondContact O-CG 3.31Å; F1318-F1323 PolarHBondContact O-N 3.35Å; F1318-L1379 HydrophobicContact CE1-CD1 3.93Å; F1318-L1379 HydrophobicContact CE2-CD1 4.49Å; F1318-L1379 HydrophobicContact CZ-CD1 3.69Å; F1318-L1386 HydrophobicContact CE2-CD1 4.18Å; F1318-L1386 HydrophobicContact CE2-CD2 3.8Å; F1318-L1386 HydrophobicContact CZ-CD1 4.09Å; F1318-L1386 HydrophobicContact CZ-CD2 4.37Å; F1318-A1397 HydrophobicContact CG-CB 4.41Å |
| 1319 | L | 87 | Confident | 88.1 | Confident | 58 Ų | 58 | 39.4 Ų | 39.4 | 30% | 0.304 | 20% | 0.201 | S | C | . | . | I | π-helix | trans | -81.1 | -26.5 | -169.4 | -60.2 | -176.8 | 0 | 0 | 0 | 114.6 | R1315 N1316 F1323 P1324 L1396 | R1315-L1319 HydrophobicContact CG-CD1 3.69Å; R1315-L1319 HydrophobicContact CG-CG 4.31Å; R1315-L1319 WeakPolarHBondContact O-CB 3.37Å; R1315-L1319 WeakPolarHBondContact O-CG 3.29Å; R1315-L1319 PolarHBondContact O-N 2.7Å; N1316-L1319 PolarHBondContact O-N 2.75Å; L1319-F1323 HydrophobicContact CD2-CD2 4.12Å; L1319-F1323 HydrophobicContact CD2-CE2 4.41Å; L1319-P1324 WeakPolarHBondContact O-CD 3.41Å; L1319-P1324 WeakPolarHBondContact O-CG 3.38Å; L1319-L1396 HydrophobicContact CD2-CD2 4.4Å |
| 1320 | E | 86.6 | Confident | 88.1 | Confident | 112 Ų | 112 | 39 Ų | 39 | 52% | 0.523 | 20% | 0.198 | S | C | . | . | I | π-helix | trans | -107.4 | -20.2 | -176 | -54.1 | 179.5 | 159.6 | 0 | 0 | 112.9 | N1316 | N1316-E1320 HydrophobicContact CB-CG 4.33Å; N1316-E1320 WeakPolarHBondContact CB-OE2 3.36Å; N1316-E1320 VanDerWaalsContact ND2-CD 3.29Å; N1316-E1320 PolarHBondContact ND2-OE1 3.14Å; N1316-E1320 PolarHBondContact ND2-OE2 3.13Å; N1316-E1320 WeakPolarHBondContact O-CA 3.1Å; N1316-E1320 VanDerWaalsContact O-CB 3.24Å; N1316-E1320 WeakPolarHBondContact O-CB 3.44Å; N1316-E1320 PolarHBondContact O-N 3.39Å |
| 1321 | V | 91.6 | Very high | 88.3 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -117.4 | -65.9 | -179.6 | -168.2 | 0 | 0 | 0 | 0 | 113 | L1298 N1316 V1317 L1325 | L1298-V1321 HydrophobicContact CD1-CG1 4.4Å; L1298-V1321 HydrophobicContact CD2-CG1 4.49Å; N1316-V1321 PolarHBondContact O-N 2.8Å; V1317-V1321 WeakPolarHBondContact O-CB 3.22Å; V1317-V1321 PolarHBondContact O-N 3.35Å; V1321-L1325 WeakPolarHBondContact O-CB 3.23Å; V1321-L1325 PolarHBondContact O-N 3.44Å |
| 1322 | L | 92.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -75.2 | -46 | -164.6 | -63.3 | -179.1 | 0 | 0 | 0 | 113.7 | L1298 V1317 F1318 L1325 L1326 V1375 V1378 | L1298-L1322 HydrophobicContact CD2-CD2 4.41Å; V1317-L1322 HydrophobicContact CG1-CD1 3.82Å; V1317-L1322 HydrophobicContact CG1-CG 4.05Å; V1317-L1322 WeakPolarHBondContact O-CG 3.27Å; V1317-L1322 PolarHBondContact O-N 3.45Å; F1318-L1322 HydrophobicContact CD1-CD1 4.13Å; F1318-L1322 HydrophobicContact CE1-CD1 4.12Å; L1322-L1325 PolarHBondContact O-N 2.83Å; L1322-L1326 WeakPolarHBondContact O-CB 3.27Å; L1322-L1326 PolarHBondContact O-N 3.42Å; L1322-V1375 HydrophobicContact CB-CG1 4.26Å; L1322-V1375 HydrophobicContact CB-CG2 4.14Å; L1322-V1375 HydrophobicContact CD1-CG1 4.25Å; L1322-V1375 HydrophobicContact CD2-CG2 4.37Å; L1322-V1378 HydrophobicContact CD1-CG1 4.33Å |
| 1323 | F | 90.6 | Very high | 89 | Confident | 7 Ų | 7 | 37.4 Ų | 37.4 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.5 | -40.2 | 177.2 | -60.6 | -32.2 | 0 | 0 | 0 | 113.2 | F1318 L1319 L1325 L1326 H1327 V1375 A1397 M1400 Q1401 F1404 | F1318-F1323 HydrophobicContact CB-CD2 4.13Å; F1318-F1323 HydrophobicContact CB-CE2 3.74Å; F1318-F1323 HydrophobicContact CB-CZ 4.18Å; F1318-F1323 HydrophobicContact CD1-CE1 4.16Å; F1318-F1323 HydrophobicContact CD1-CE2 4.23Å; F1318-F1323 AromaticContact CD1-CZ 3.78Å; F1318-F1323 HydrophobicContact CD1-CZ 3.78Å; F1318-F1323 HydrophobicContact CG-CE2 4.31Å; F1318-F1323 HydrophobicContact CG-CZ 4.28Å; F1318-F1323 WeakPolarHBondContact O-CB 3.15Å; F1318-F1323 WeakPolarHBondContact O-CD2 3.17Å; F1318-F1323 WeakPolarHBondContact O-CG 3.31Å; F1318-F1323 PolarHBondContact O-N 3.35Å; L1319-F1323 HydrophobicContact CD2-CD2 4.12Å; L1319-F1323 HydrophobicContact CD2-CE2 4.41Å; F1323-L1325 VanDerWaalsContact C-N 3.26Å; F1323-L1325 PolarHBondContact O-N 3.45Å; F1323-L1326 PolarHBondContact O-N 3.3Å; F1323-H1327 WeakPolarHBondContact O-CB 3.36Å; F1323-H1327 PolarHBondContact O-N 3.25Å; F1323-V1375 HydrophobicContact CE1-CG1 4.23Å; F1323-A1397 HydrophobicContact CE2-CB 4.01Å; F1323-A1397 HydrophobicContact CZ-CB 4Å; F1323-A1397 WeakPolarHBondContact CZ-O 3.37Å; F1323-M1400 HydrophobicContact CD2-CB 4.26Å; F1323-M1400 HydrophobicContact CE2-CB 3.96Å; F1323-M1400 HydrophobicContact CZ-CB 4.19Å; F1323-Q1401 HydrophobicContact CE1-CB 4.37Å; F1323-F1404 HydrophobicContact CB-CE2 3.76Å; F1323-F1404 HydrophobicContact CB-CZ 4.16Å; F1323-F1404 HydrophobicContact CD1-CD2 4.16Å; F1323-F1404 AromaticContact CD1-CE2 3.75Å; F1323-F1404 HydrophobicContact CD1-CE2 3.75Å; F1323-F1404 AromaticContact CG-CE2 3.85Å; F1323-F1404 HydrophobicContact CG-CE2 3.85Å |
| 1324 | P | 91.8 | Very high | 88.7 | Confident | 43 Ų | 43 | 40.6 Ų | 40.6 | 28% | 0.279 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.1 | -36.8 | 169.9 | -27.6 | 37.5 | 0 | 0 | 0 | 112.9 | L1319 K1328 | L1319-P1324 WeakPolarHBondContact O-CD 3.41Å; L1319-P1324 WeakPolarHBondContact O-CG 3.38Å; P1324-K1328 WeakPolarHBondContact O-CB 3.39Å; P1324-K1328 VanDerWaalsContact O-CG 3.22Å; P1324-K1328 WeakPolarHBondContact O-CG 3.37Å; P1324-K1328 PolarHBondContact O-N 3.21Å |
| 1325 | L | 92.3 | Very high | 88.3 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.3 | -50.4 | 173 | 175.8 | 57.5 | 0 | 0 | 0 | 111.8 | C1283 I1284 L1298 V1321 L1322 F1323 H1327 K1328 V1329 T1371 | C1283-L1325 HydrophobicContact CB-CD1 3.44Å; C1283-L1325 VanDerWaalsContact CB-CD1 3.44Å; C1283-L1325 HydrophobicContact CB-CD2 3.8Å; C1283-L1325 HydrophobicContact CB-CG 4.26Å; I1284-L1325 HydrophobicContact CG2-CD1 3.83Å; L1298-L1325 HydrophobicContact CD2-CD2 3.54Å; V1321-L1325 WeakPolarHBondContact O-CB 3.23Å; V1321-L1325 PolarHBondContact O-N 3.44Å; L1322-L1325 PolarHBondContact O-N 2.83Å; F1323-L1325 VanDerWaalsContact C-N 3.26Å; F1323-L1325 PolarHBondContact O-N 3.45Å; L1325-H1327 VanDerWaalsContact C-N 3.32Å; L1325-H1327 PolarHBondContact O-N 2.89Å; L1325-K1328 PolarHBondContact O-N 3.43Å; L1325-V1329 HydrophobicContact CD1-CG2 3.68Å; L1325-V1329 HydrophobicContact CG-CG2 4.3Å; L1325-V1329 WeakPolarHBondContact O-CG2 3.29Å; L1325-V1329 PolarHBondContact O-N 3.41Å; L1325-T1371 HydrophobicContact CD2-CG2 4.24Å; L1325-T1371 HydrophobicContact CG-CG2 4.17Å |
| 1326 | L | 89.5 | Confident | 87.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.6 | -44.9 | -178.6 | -174.2 | 54.3 | 0 | 0 | 0 | 111.2 | L1322 F1323 V1329 M1330 T1371 V1372 F1404 L1408 | L1322-L1326 WeakPolarHBondContact O-CB 3.27Å; L1322-L1326 PolarHBondContact O-N 3.42Å; F1323-L1326 PolarHBondContact O-N 3.3Å; L1326-V1329 PolarHBondContact O-N 3.43Å; L1326-M1330 HydrophobicContact CD1-SD 4.3Å; L1326-M1330 HydrophobicContact CG-SD 4.07Å; L1326-M1330 WeakPolarHBondContact O-CB 3.47Å; L1326-M1330 VanDerWaalsContact O-CG 3.29Å; L1326-M1330 WeakPolarHBondContact O-CG 3.32Å; L1326-M1330 PolarHBondContact O-N 2.72Å; L1326-T1371 HydrophobicContact CB-CG2 4.49Å; L1326-T1371 HydrophobicContact CD1-CG2 4.02Å; L1326-V1372 HydrophobicContact CD1-CB 4.04Å; L1326-F1404 HydrophobicContact CD2-CB 3.71Å; L1326-F1404 HydrophobicContact CD2-CD1 4.4Å; L1326-F1404 HydrophobicContact CD2-CD2 3.68Å; L1326-F1404 HydrophobicContact CD2-CE2 4.37Å; L1326-F1404 HydrophobicContact CD2-CG 3.7Å; L1326-F1404 HydrophobicContact CG-CB 4.35Å; L1326-F1404 HydrophobicContact CG-CD1 4.34Å; L1326-F1404 HydrophobicContact CG-CD2 4.35Å; L1326-F1404 HydrophobicContact CG-CG 4.12Å; L1326-L1408 HydrophobicContact CD1-CD1 4.34Å |
| 1327 | H | 90.6 | Very high | 86.8 | Confident | 112 Ų | 112 | 39.1 Ų | 39.1 | 52% | 0.519 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 173.6 | 178.6 | -86.3 | 0 | 0 | 0 | 113.1 | F1323 L1325 M1330 H1331 F1404 | F1323-H1327 WeakPolarHBondContact O-CB 3.36Å; F1323-H1327 PolarHBondContact O-N 3.25Å; L1325-H1327 VanDerWaalsContact C-N 3.32Å; L1325-H1327 PolarHBondContact O-N 2.89Å; H1327-M1330 WeakPolarHBondContact O-CB 3.31Å; H1327-M1330 PolarHBondContact O-N 3.06Å; H1327-H1331 WeakPolarHBondContact O-CB 3.29Å; H1327-H1331 PolarHBondContact O-N 2.98Å; H1327-F1404 HydrophobicContact CB-CE1 4.04Å; H1327-F1404 HydrophobicContact CB-CZ 4.26Å |
| 1328 | K | 90.8 | Very high | 85.7 | Confident | 75 Ų | 75 | 44.5 Ų | 44.5 | 33% | 0.326 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.7 | -46 | 176.8 | -72 | 175.3 | -167.2 | 178.2 | 0 | 111.6 | I1284 P1324 L1325 M1330 H1331 H1332 | I1284-K1328 HydrophobicContact CD1-CD 3.87Å; I1284-K1328 HydrophobicContact CG2-CB 4.06Å; P1324-K1328 WeakPolarHBondContact O-CB 3.39Å; P1324-K1328 VanDerWaalsContact O-CG 3.22Å; P1324-K1328 WeakPolarHBondContact O-CG 3.37Å; P1324-K1328 PolarHBondContact O-N 3.21Å; L1325-K1328 PolarHBondContact O-N 3.43Å; K1328-M1330 VanDerWaalsContact C-N 3.32Å; K1328-M1330 PolarHBondContact O-N 2.77Å; K1328-H1331 PolarHBondContact O-N 3.01Å; K1328-H1332 PolarHBondContact O-CD2 3.13Å; K1328-H1332 PolarHBondContact O-N 3.4Å |
| 1329 | V | 90 | Very high | 84.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.4 | -35.8 | 179.1 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | I1284 L1325 L1326 C1333 W1364 T1367 C1368 | I1284-V1329 HydrophobicContact CG2-CG2 3.95Å; L1325-V1329 HydrophobicContact CD1-CG2 3.68Å; L1325-V1329 HydrophobicContact CG-CG2 4.3Å; L1325-V1329 WeakPolarHBondContact O-CG2 3.29Å; L1325-V1329 PolarHBondContact O-N 3.41Å; L1326-V1329 PolarHBondContact O-N 3.43Å; V1329-C1333 VanDerWaalsContact O-CB 3.25Å; V1329-C1333 WeakPolarHBondContact O-CB 3.46Å; V1329-C1333 PolarHBondContact O-N 3.01Å; V1329-W1364 HydrophobicContact CG1-CE3 4.46Å; V1329-T1367 HydrophobicContact CG1-CG2 3.92Å; V1329-T1367 HydrophobicContact CG2-CG2 4.45Å; V1329-C1368 HydrophobicContact CG1-CB 3.88Å |
| 1330 | M | 87.5 | Confident | 82.5 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -50.1 | 171.4 | -81.5 | 169.3 | 66.3 | 0 | 0 | 112.5 | L1326 H1327 K1328 H1332 C1333 F1334 F1404 E1407 L1408 | L1326-M1330 HydrophobicContact CD1-SD 4.3Å; L1326-M1330 HydrophobicContact CG-SD 4.07Å; L1326-M1330 WeakPolarHBondContact O-CB 3.47Å; L1326-M1330 VanDerWaalsContact O-CG 3.29Å; L1326-M1330 WeakPolarHBondContact O-CG 3.32Å; L1326-M1330 PolarHBondContact O-N 2.72Å; H1327-M1330 WeakPolarHBondContact O-CB 3.31Å; H1327-M1330 PolarHBondContact O-N 3.06Å; K1328-M1330 VanDerWaalsContact C-N 3.32Å; K1328-M1330 PolarHBondContact O-N 2.77Å; M1330-H1332 VanDerWaalsContact C-N 3.32Å; M1330-H1332 PolarHBondContact O-N 3.15Å; M1330-C1333 PolarHBondContact O-N 3.01Å; M1330-F1334 HydrophobicContact CB-CE2 4.35Å; M1330-F1334 HydrophobicContact CE-CE2 4.2Å; M1330-F1334 WeakPolarHBondContact O-CD2 3.37Å; M1330-F1334 PolarHBondContact O-N 3.38Å; M1330-F1404 HydrophobicContact CE-CD1 3.93Å; M1330-F1404 HydrophobicContact SD-CB 4.26Å; M1330-F1404 HydrophobicContact SD-CD1 3.52Å; M1330-F1404 VanDerWaalsContact SD-CD1 3.52Å; M1330-F1404 HydrophobicContact SD-CE1 4.25Å; M1330-F1404 HydrophobicContact SD-CG 4.25Å; M1330-E1407 HydrophobicContact CE-CB 3.81Å; M1330-E1407 VanDerWaalsContact CE-CD 3.41Å; M1330-E1407 HydrophobicContact CE-CG 3.64Å; M1330-E1407 WeakPolarHBondContact CE-OE2 3.47Å; M1330-L1408 HydrophobicContact CE-CD2 4.14Å; M1330-L1408 HydrophobicContact CE-CG 3.93Å; M1330-L1408 HydrophobicContact CG-CD2 3.48Å; M1330-L1408 VanDerWaalsContact CG-CD2 3.48Å; M1330-L1408 HydrophobicContact CG-CG 4.1Å; M1330-L1408 HydrophobicContact SD-CD1 4.01Å; M1330-L1408 HydrophobicContact SD-CD2 3.84Å; M1330-L1408 HydrophobicContact SD-CG 3.75Å |
| 1331 | H | 87.3 | Confident | 80.6 | Confident | 118 Ų | 118 | 54.6 Ų | 54.6 | 55% | 0.546 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.9 | -47.1 | 177.1 | 178.9 | -85.5 | 0 | 0 | 0 | 111.4 | H1327 K1328 F1334 S1335 | H1327-H1331 WeakPolarHBondContact O-CB 3.29Å; H1327-H1331 PolarHBondContact O-N 2.98Å; K1328-H1331 PolarHBondContact O-N 3.01Å; H1331-F1334 PolarHBondContact O-N 3.35Å; H1331-S1335 WeakPolarHBondContact O-CB 3.43Å; H1331-S1335 PolarHBondContact O-N 3Å; H1331-S1335 PolarHBondContact O-OG 3.05Å |
| 1332 | H | 86.5 | Confident | 78.1 | Confident | 62 Ų | 62 | 60.4 Ų | 60.4 | 29% | 0.287 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 173.7 | -73.8 | -67.9 | 0 | 0 | 0 | 112.4 | K1328 M1330 F1334 S1335 A1336 W1364 | K1328-H1332 PolarHBondContact O-CD2 3.13Å; K1328-H1332 PolarHBondContact O-N 3.4Å; M1330-H1332 VanDerWaalsContact C-N 3.32Å; M1330-H1332 PolarHBondContact O-N 3.15Å; H1332-F1334 VanDerWaalsContact C-N 3.3Å; H1332-F1334 PolarHBondContact O-N 2.89Å; H1332-S1335 PolarHBondContact O-N 2.88Å; H1332-S1335 PolarHBondContact O-OG 3.17Å; H1332-A1336 WeakPolarHBondContact O-CB 3.42Å; H1332-A1336 PolarHBondContact O-N 3.39Å; H1332-W1364 HydrophobicContact CB-CD2 3.57Å; H1332-W1364 HydrophobicContact CB-CE3 3.58Å; H1332-W1364 HydrophobicContact CB-CG 4.22Å; H1332-W1364 HydrophobicContact CB-CH2 3.77Å; H1332-W1364 HydrophobicContact CB-CZ2 3.78Å; H1332-W1364 HydrophobicContact CB-CZ3 3.68Å; H1332-W1364 AromaticContact CD2-CH2 3.74Å; H1332-W1364 AromaticContact CG-CH2 3.65Å; H1332-W1364 AromaticContact CG-CZ2 3.73Å; H1332-W1364 AromaticContact CG-CZ3 3.99Å; H1332-W1364 AromaticContact ND1-CZ2 3.93Å |
| 1333 | C | 84.9 | Confident | 75.4 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 3% | 0.027 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.9 | -32.4 | 179.1 | -168.6 | 0 | 0 | 0 | 0 | 114.3 | V1329 M1330 W1364 A1365 C1368 | V1329-C1333 VanDerWaalsContact O-CB 3.25Å; V1329-C1333 WeakPolarHBondContact O-CB 3.46Å; V1329-C1333 PolarHBondContact O-N 3.01Å; M1330-C1333 PolarHBondContact O-N 3.01Å; C1333-W1364 HydrophobicContact CB-CB 4.04Å; C1333-A1365 VanDerWaalsContact SG-CA 3.59Å; C1333-C1368 HydrophobicContact CB-CB 4.13Å |
| 1334 | F | 80.9 | Confident | 72.5 | Confident | 82 Ų | 82 | 71.4 Ų | 71.4 | 36% | 0.36 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -89.5 | -18.8 | 178.3 | -61 | -39.1 | 0 | 0 | 0 | 114 | M1330 H1331 H1332 E1407 L1408 | M1330-F1334 HydrophobicContact CB-CE2 4.35Å; M1330-F1334 HydrophobicContact CE-CE2 4.2Å; M1330-F1334 WeakPolarHBondContact O-CD2 3.37Å; M1330-F1334 PolarHBondContact O-N 3.38Å; H1331-F1334 PolarHBondContact O-N 3.35Å; H1332-F1334 VanDerWaalsContact C-N 3.3Å; H1332-F1334 PolarHBondContact O-N 2.89Å; F1334-E1407 HydrophobicContact CE2-CG 4.37Å; F1334-L1408 HydrophobicContact CZ-CD2 4.43Å |
| 1335 | S | 80.9 | Confident | 69.6 | Low | 76 Ų | 76 | 72.7 Ų | 72.7 | 53% | 0.531 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -98.2 | -18.8 | 176.2 | 55.6 | 0 | 0 | 0 | 0 | 114.6 | H1331 H1332 | H1331-S1335 WeakPolarHBondContact O-CB 3.43Å; H1331-S1335 PolarHBondContact O-N 3Å; H1331-S1335 PolarHBondContact O-OG 3.05Å; H1332-S1335 PolarHBondContact O-N 2.88Å; H1332-S1335 PolarHBondContact O-OG 3.17Å |
| 1336 | A | 74 | Confident | 66.6 | Low | 9 Ų | 9 | 77.7 Ų | 77.7 | 7% | 0.074 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -63.8 | 143.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | H1332 E1360 W1364 | H1332-A1336 WeakPolarHBondContact O-CB 3.42Å; H1332-A1336 PolarHBondContact O-N 3.39Å; A1336-E1360 WeakPolarHBondContact CA-OE2 3.45Å; A1336-E1360 HydrophobicContact CB-CB 4.1Å; A1336-E1360 VanDerWaalsContact CB-CD 3.49Å; A1336-E1360 HydrophobicContact CB-CG 3.97Å; A1336-W1364 HydrophobicContact CB-CB 4.39Å; A1336-W1364 VanDerWaalsContact CB-CD1 3.41Å; A1336-W1364 HydrophobicContact CB-CG 4.15Å |
| 1337 | S | 69.3 | Low | 63.7 | Low | 49 Ų | 49 | 85.1 Ų | 85.1 | 34% | 0.343 | 50% | 0.498 | S | S | . | . | trans | -67.8 | 143 | -170.7 | -168.9 | 0 | 0 | 0 | 0 | 114.3 | T1339 E1360 S1361 | S1337-T1339 PolarHBondContact OG-N 3.3Å; S1337-T1339 VanDerWaalsContact OG-N 3.14Å; S1337-T1339 PolarHBondContact OG-OG1 3.05Å; S1337-E1360 PolarHBondContact N-OE2 2.79Å; S1337-E1360 PolarHBondContact O-N 2.85Å; S1337-S1361 WeakPolarHBondContact O-CB 3.24Å; S1337-S1361 PolarHBondContact O-N 2.85Å | ||
| 1338 | T | 67.2 | Low | 60.8 | Low | 113 Ų | 113 | 83.4 Ų | 83.4 | 69% | 0.693 | 51% | 0.511 | S | S | * | . | trans | -92.5 | -11.7 | 170.3 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | T1359 | T1338-T1359 WeakPolarHBondContact O-CG2 3.47Š| ||
| 1339 | T | 55 | Low | 58 | Low | 95 Ų | 95 | 88.2 Ų | 88.2 | 58% | 0.583 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -75.6 | 142.2 | 171.3 | 51.8 | 0 | 0 | 0 | 0 | 110.9 | S1337 | S1337-T1339 PolarHBondContact OG-N 3.3Å; S1337-T1339 VanDerWaalsContact OG-N 3.14Å; S1337-T1339 PolarHBondContact OG-OG1 3.05Å |
| 1340 | K | 52.9 | Low | 55.1 | Low | 126 Ų | 126 | 95.2 Ų | 95.2 | 55% | 0.548 | 57% | 0.573 | S | S | . | * | B | Isolated β-bridge | trans | -69.7 | 138.3 | 165.5 | -68.3 | -163 | 179.9 | -163 | 0 | 108.9 | T1342 D1358 T1359 | K1340-T1342 PolarHBondContact O-N 3.24Å; K1340-D1358 HydrophobicContact CD-CB 3.96Å; K1340-D1358 WeakPolarHBondContact CE-OD2 3.32Å; K1340-D1358 HydrophobicContact CG-CB 4.24Å; K1340-D1358 IonicContact NZ-OD2 2.58Å; K1340-D1358 PolarHBondContact NZ-OD2 3.29Å; K1340-T1359 HydrophobicContact CG-CG2 3.91Å |
| 1341 | L | 47.6 | Very low | 52.5 | Low | 164 Ų | 164 | 100.2 Ų | 100.2 | 86% | 0.859 | 60% | 0.598 | S | S | * | * | trans | -71 | 91.5 | 176.4 | -81.2 | 162.7 | 0 | 0 | 0 | 111.1 | A1343 | L1341-A1343 PolarHBondContact O-N 2.94Å; L1341-A1343 VanDerWaalsContact O-N 3.15Å | ||
| 1342 | T | 37.8 | Very low | 50.1 | Low | 124 Ų | 124 | 99.6 Ų | 99.6 | 76% | 0.761 | 60% | 0.598 | S | S | * | * | trans | -76 | 93.5 | 166.2 | 51.8 | 0 | 0 | 0 | 0 | 109.1 | K1340 T1344 | K1340-T1342 PolarHBondContact O-N 3.24Å; T1342-T1344 PolarHBondContact O-N 2.73Å | ||
| 1343 | A | 35.5 | Very low | 47.6 | Very low | 94 Ų | 94 | 102.2 Ų | 102.2 | 78% | 0.777 | 61% | 0.612 | S | S | * | * | trans | -63.3 | 120 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1341 | L1341-A1343 PolarHBondContact O-N 2.94Å; L1341-A1343 VanDerWaalsContact O-N 3.15Å | ||
| 1344 | T | 29.9 | Very low | 45.4 | Very low | 145 Ų | 145 | 105.6 Ų | 105.6 | 89% | 0.89 | 63% | 0.627 | S | S | * | * | trans | -121.2 | 76.8 | 167.5 | 55.9 | 0 | 0 | 0 | 0 | 109.6 | T1342 | T1342-T1344 PolarHBondContact O-N 2.73Š| ||
| 1345 | G | 31 | Very low | 43.6 | Very low | 71 Ų | 71 | 105.9 Ų | 105.9 | 73% | 0.732 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -169 | 148.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1346 | S | 28.7 | Very low | 41.9 | Very low | 109 Ų | 109 | 106 Ų | 106 | 76% | 0.762 | 63% | 0.63 | S | S | * | * | trans | -69 | 148.9 | -171 | -130.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1347 | D | 29.4 | Very low | 40.8 | Very low | 155 Ų | 155 | 110.7 Ų | 110.7 | 83% | 0.829 | 65% | 0.645 | S | S | * | * | trans | 32.9 | 120.7 | 149 | -49.2 | -45.2 | 0 | 0 | 0 | 120.7 | ||||
| 1348 | G | 29.6 | Very low | 40.3 | Very low | 76 Ų | 76 | 110.5 Ų | 110.5 | 78% | 0.784 | 64% | 0.641 | S | S | * | * | trans | 162.4 | 100.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1350 | G1348-E1350 PolarHBondContact O-N 3.02Š| ||
| 1349 | D | 32.5 | Very low | 40.3 | Very low | 176 Ų | 176 | 106.2 Ų | 106.2 | 94% | 0.941 | 62% | 0.615 | S | S | * | * | trans | -53.4 | 106.5 | -179.8 | -170.1 | 27.9 | 0 | 0 | 0 | 113.3 | ||||
| 1350 | E | 28.5 | Very low | 41.2 | Very low | 147 Ų | 147 | 105.3 Ų | 105.3 | 69% | 0.687 | 60% | 0.604 | S | S | * | * | trans | -146.4 | 153.3 | 172.2 | -135.6 | -166.1 | -176.7 | 0 | 0 | 116.7 | G1348 | G1348-E1350 PolarHBondContact O-N 3.02Š| ||
| 1351 | M | 33.3 | Very low | 42.4 | Very low | 110 Ų | 110 | 100.1 Ų | 100.1 | 54% | 0.542 | 58% | 0.583 | S | S | . | * | trans | -21.9 | 122.4 | -175 | -83.2 | 169.9 | 35.6 | 0 | 0 | 121.6 | L1232 P1289 M1353 | L1232-M1351 HydrophobicContact CD2-CE 3.81Å; L1232-M1351 HydrophobicContact CD2-SD 3.44Å; L1232-M1351 WeakPolarHBondContact CD2-SD 3.41Å; P1289-M1351 HydrophobicContact CG-CE 4.43Å; M1351-M1353 PolarHBondContact O-N 3.28Å | ||
| 1352 | L | 36.1 | Very low | 43.9 | Very low | 104 Ų | 104 | 96.2 Ų | 96.2 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | trans | -51.8 | 91.5 | 160.9 | -158.1 | 169.6 | 0 | 0 | 0 | 112.8 | P55 | P55-L1352 HydrophobicContact CB-CD1 3.61Å; P55-L1352 HydrophobicContact CB-CD2 3.82Å; P55-L1352 HydrophobicContact CB-CG 3.94Å | ||
| 1353 | M | 35.3 | Very low | 46.1 | Very low | 117 Ų | 117 | 92 Ų | 92 | 58% | 0.576 | 53% | 0.531 | S | S | * | . | trans | -85.2 | 142.7 | -179.8 | -75.5 | -165.8 | -83.2 | 0 | 0 | 113.7 | M1351 H1355 | M1351-M1353 PolarHBondContact O-N 3.28Å; M1353-H1355 PolarHBondContact O-N 3.48Å | ||
| 1354 | H | 39 | Very low | 48.6 | Very low | 75 Ų | 75 | 87.8 Ų | 87.8 | 35% | 0.347 | 50% | 0.495 | S | S | . | . | trans | -65.3 | 119.4 | 170.9 | -82.4 | -75.8 | 0 | 0 | 0 | 111.6 | K223 S1356 | K223-H1354 WeakPolarHBondContact CE-NE2 3.43Å; H1354-S1356 PolarHBondContact O-N 2.9Å | ||
| 1355 | H | 42.5 | Very low | 51.3 | Low | 89 Ų | 89 | 80.9 Ų | 80.9 | 41% | 0.412 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 26.6 | -173.3 | -50 | -54.4 | 0 | 0 | 0 | 117.9 | E53 M1353 D1358 | E53-H1355 IonicContact OE2-CE1 3.98Å; E53-H1355 PolarHBondContact OE2-CE1 2.93Å; E53-H1355 IonicContact OE2-NE2 2.6Å; M1353-H1355 PolarHBondContact O-N 3.48Å; H1355-D1358 WeakPolarHBondContact CA-OD1 3.46Å |
| 1356 | S | 44.1 | Very low | 53.9 | Low | 77 Ų | 77 | 79.4 Ų | 79.4 | 54% | 0.538 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -0.9 | 173.8 | 79 | 0 | 0 | 0 | 0 | 114.3 | H1354 D1358 K1362 | H1354-S1356 PolarHBondContact O-N 2.9Å; S1356-D1358 PolarHBondContact N-OD1 2.89Å; S1356-K1362 PolarHBondContact O-NZ 3.28Å; S1356-K1362 VanDerWaalsContact O-NZ 3.11Å |
| 1357 | R | 51.8 | Low | 56.8 | Low | 108 Ų | 108 | 74.4 Ų | 74.4 | 41% | 0.408 | 39% | 0.392 | S | S | . | . | trans | -133.4 | 25.1 | -166.4 | -70 | 179.6 | 165.8 | -156.1 | -14.3 | 113.8 | T1359 Q1363 E1366 | R1357-T1359 PolarHBondContact O-N 2.82Å; R1357-T1359 VanDerWaalsContact O-N 3.15Å; R1357-Q1363 WeakPolarHBondContact O-CG 3.39Å; R1357-Q1363 PolarHBondContact O-NE2 2.88Å; R1357-E1366 VanDerWaalsContact CZ-CD 3.49Å; R1357-E1366 IonicContact CZ-OE1 3.71Å; R1357-E1366 IonicContact CZ-OE2 2.77Å; R1357-E1366 VanDerWaalsContact CZ-OE2 3.25Å; R1357-E1366 IonicContact NH1-OE1 3.04Å; R1357-E1366 PolarHBondContact NH1-OE1 3.4Å; R1357-E1366 VanDerWaalsContact NH1-OE1 3.09Å; R1357-E1366 IonicContact NH1-OE2 3.32Å; R1357-E1366 PolarHBondContact NH1-OE2 2.78Å; R1357-E1366 IonicContact NH2-OE1 2.77Å; R1357-E1366 PolarHBondContact NH2-OE1 2.95Å; R1357-E1366 IonicContact NH2-OE2 3.59Å; R1357-E1366 PolarHBondContact NH2-OE2 3.01Å | ||
| 1358 | D | 57.9 | Low | 59.7 | Low | 45 Ų | 45 | 67 Ų | 67 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | trans | -82.3 | 10 | -162.7 | -35.9 | -7.2 | 0 | 0 | 0 | 114.7 | K1340 H1355 S1356 | K1340-D1358 HydrophobicContact CD-CB 3.96Å; K1340-D1358 WeakPolarHBondContact CE-OD2 3.32Å; K1340-D1358 HydrophobicContact CG-CB 4.24Å; K1340-D1358 IonicContact NZ-OD2 2.58Å; K1340-D1358 PolarHBondContact NZ-OD2 3.29Å; H1355-D1358 WeakPolarHBondContact CA-OD1 3.46Å; S1356-D1358 PolarHBondContact N-OD1 2.89Å | ||
| 1359 | T | 68.9 | Low | 62.6 | Low | 24 Ų | 24 | 64.9 Ų | 64.9 | 15% | 0.147 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -120.7 | 139.3 | 175.6 | 58.5 | 0 | 0 | 0 | 0 | 109.8 | T1338 K1340 R1357 S1361 K1362 Q1363 | T1338-T1359 WeakPolarHBondContact O-CG2 3.47Å; K1340-T1359 HydrophobicContact CG-CG2 3.91Å; R1357-T1359 PolarHBondContact O-N 2.82Å; R1357-T1359 VanDerWaalsContact O-N 3.15Å; T1359-S1361 PolarHBondContact O-N 2.94Å; T1359-K1362 WeakPolarHBondContact O-CB 3.3Å; T1359-K1362 PolarHBondContact O-N 3.17Å; T1359-K1362 WeakPolarHBondContact OG1-CG 3.25Å; T1359-Q1363 PolarHBondContact O-N 3.08Å |
| 1360 | E | 74.2 | Confident | 65.3 | Low | 76 Ų | 76 | 58.4 Ų | 58.4 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.5 | -41.9 | -177.7 | -156.6 | -149.4 | 158.6 | 0 | 0 | 111.1 | A1336 S1337 K1362 Q1363 W1364 | A1336-E1360 WeakPolarHBondContact CA-OE2 3.45Å; A1336-E1360 HydrophobicContact CB-CB 4.1Å; A1336-E1360 VanDerWaalsContact CB-CD 3.49Å; A1336-E1360 HydrophobicContact CB-CG 3.97Å; S1337-E1360 PolarHBondContact N-OE2 2.79Å; S1337-E1360 PolarHBondContact O-N 2.85Å; E1360-K1362 VanDerWaalsContact C-N 3.28Å; E1360-K1362 PolarHBondContact O-N 3.05Å; E1360-Q1363 PolarHBondContact O-N 3.19Å; E1360-W1364 PolarHBondContact O-N 2.82Å; E1360-W1364 PolarHBondContact OE1-NE1 3.3Å |
| 1361 | S | 77.6 | Confident | 68.2 | Low | 17 Ų | 17 | 51.6 Ų | 51.6 | 12% | 0.119 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -53.7 | -37.7 | 174.5 | -177.6 | 0 | 0 | 0 | 0 | 113.7 | S1337 T1359 A1365 | S1337-S1361 WeakPolarHBondContact O-CB 3.24Å; S1337-S1361 PolarHBondContact O-N 2.85Å; T1359-S1361 PolarHBondContact O-N 2.94Å; S1361-A1365 VanDerWaalsContact O-CB 3.25Å; S1361-A1365 WeakPolarHBondContact O-CB 3.49Å; S1361-A1365 PolarHBondContact O-N 3.25Å |
| 1362 | K | 78.7 | Confident | 70.9 | Confident | 81 Ų | 81 | 46.4 Ų | 46.4 | 35% | 0.352 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -72.3 | -35 | 175.5 | -80 | -174.3 | 167.2 | -161.8 | 0 | 113 | S1356 T1359 E1360 A1365 E1366 | S1356-K1362 PolarHBondContact O-NZ 3.28Å; S1356-K1362 VanDerWaalsContact O-NZ 3.11Å; T1359-K1362 WeakPolarHBondContact O-CB 3.3Å; T1359-K1362 PolarHBondContact O-N 3.17Å; T1359-K1362 WeakPolarHBondContact OG1-CG 3.25Å; E1360-K1362 VanDerWaalsContact C-N 3.28Å; E1360-K1362 PolarHBondContact O-N 3.05Å; K1362-A1365 PolarHBondContact O-N 3.06Å; K1362-E1366 PolarHBondContact O-N 2.77Å; K1362-E1366 VanDerWaalsContact O-N 3.12Å |
| 1363 | Q | 83.1 | Confident | 73.4 | Confident | 35 Ų | 35 | 42.8 Ų | 42.8 | 16% | 0.164 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -74.3 | -35.2 | -178.5 | -60.8 | 174.7 | 3.2 | 0 | 0 | 111.5 | P1288 R1291 R1357 T1359 E1360 T1367 | P1288-Q1363 HydrophobicContact CB-CB 4.41Å; P1288-Q1363 HydrophobicContact CG-CB 3.88Å; P1288-Q1363 HydrophobicContact CG-CG 4.06Å; R1291-Q1363 PolarHBondContact NH2-O 3.14Å; R1357-Q1363 WeakPolarHBondContact O-CG 3.39Å; R1357-Q1363 PolarHBondContact O-NE2 2.88Å; T1359-Q1363 PolarHBondContact O-N 3.08Å; E1360-Q1363 PolarHBondContact O-N 3.19Å; Q1363-T1367 PolarHBondContact O-N 3.32Å; Q1363-T1367 PolarHBondContact O-OG1 3.2Å |
| 1364 | W | 89.6 | Confident | 75.9 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 2% | 0.023 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -73.7 | -33.8 | 168.7 | -73 | 107.8 | 0 | 0 | 0 | 112.7 | I1284 R1291 V1329 H1332 C1333 A1336 E1360 E1366 T1367 C1368 | I1284-W1364 HydrophobicContact CB-CH2 4.42Å; R1291-W1364 VanDerWaalsContact CD-CH2 3.46Å; V1329-W1364 HydrophobicContact CG1-CE3 4.46Å; H1332-W1364 HydrophobicContact CB-CD2 3.57Å; H1332-W1364 HydrophobicContact CB-CE3 3.58Å; H1332-W1364 HydrophobicContact CB-CG 4.22Å; H1332-W1364 HydrophobicContact CB-CH2 3.77Å; H1332-W1364 HydrophobicContact CB-CZ2 3.78Å; H1332-W1364 HydrophobicContact CB-CZ3 3.68Å; H1332-W1364 AromaticContact CD2-CH2 3.74Å; H1332-W1364 AromaticContact CG-CH2 3.65Å; H1332-W1364 AromaticContact CG-CZ2 3.73Å; H1332-W1364 AromaticContact CG-CZ3 3.99Å; H1332-W1364 AromaticContact ND1-CZ2 3.93Å; C1333-W1364 HydrophobicContact CB-CB 4.04Å; A1336-W1364 HydrophobicContact CB-CB 4.39Å; A1336-W1364 VanDerWaalsContact CB-CD1 3.41Å; A1336-W1364 HydrophobicContact CB-CG 4.15Å; E1360-W1364 PolarHBondContact O-N 2.82Å; E1360-W1364 PolarHBondContact OE1-NE1 3.3Å; W1364-E1366 PolarHBondContact O-N 3.15Å; W1364-T1367 HydrophobicContact CE3-CG2 4.37Å; W1364-T1367 CarbonylContact O-C 3.58Å; W1364-T1367 WeakPolarHBondContact O-CB 3.34Å; W1364-T1367 PolarHBondContact O-N 3.25Å; W1364-T1367 VanDerWaalsContact O-N 3.14Å; W1364-C1368 VanDerWaalsContact O-CB 3.25Å; W1364-C1368 WeakPolarHBondContact O-CB 3.49Å; W1364-C1368 PolarHBondContact O-N 2.98Å |
| 1365 | A | 85.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.8 | -48.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C1333 S1361 K1362 T1367 C1368 V1369 N1413 V1416 | C1333-A1365 VanDerWaalsContact SG-CA 3.59Å; S1361-A1365 VanDerWaalsContact O-CB 3.25Å; S1361-A1365 WeakPolarHBondContact O-CB 3.49Å; S1361-A1365 PolarHBondContact O-N 3.25Å; K1362-A1365 PolarHBondContact O-N 3.06Å; A1365-T1367 VanDerWaalsContact C-N 3.3Å; A1365-T1367 PolarHBondContact O-N 2.74Å; A1365-C1368 PolarHBondContact O-N 3.02Å; A1365-V1369 VanDerWaalsContact O-CG2 3.3Å; A1365-V1369 WeakPolarHBondContact O-CG2 3.49Å; A1365-V1369 PolarHBondContact O-N 3.19Å; A1365-N1413 WeakPolarHBondContact CB-ND2 3.31Å; A1365-V1416 HydrophobicContact CB-CG2 3.53Å |
| 1366 | E | 85.7 | Confident | 80.6 | Confident | 40 Ų | 40 | 30 Ų | 30 | 19% | 0.187 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.1 | -42.8 | 173.7 | 179.6 | 179.8 | -141.2 | 0 | 0 | 111.7 | K1292 R1357 K1362 W1364 C1368 L1370 | K1292-E1366 IonicContact NZ-OE1 2.71Å; K1292-E1366 PolarHBondContact NZ-OE1 3.49Å; K1292-E1366 IonicContact NZ-OE2 3.84Å; R1357-E1366 VanDerWaalsContact CZ-CD 3.49Å; R1357-E1366 IonicContact CZ-OE1 3.71Å; R1357-E1366 IonicContact CZ-OE2 2.77Å; R1357-E1366 VanDerWaalsContact CZ-OE2 3.25Å; R1357-E1366 IonicContact NH1-OE1 3.04Å; R1357-E1366 PolarHBondContact NH1-OE1 3.4Å; R1357-E1366 VanDerWaalsContact NH1-OE1 3.09Å; R1357-E1366 IonicContact NH1-OE2 3.32Å; R1357-E1366 PolarHBondContact NH1-OE2 2.78Å; R1357-E1366 IonicContact NH2-OE1 2.77Å; R1357-E1366 PolarHBondContact NH2-OE1 2.95Å; R1357-E1366 IonicContact NH2-OE2 3.59Å; R1357-E1366 PolarHBondContact NH2-OE2 3.01Å; K1362-E1366 PolarHBondContact O-N 2.77Å; K1362-E1366 VanDerWaalsContact O-N 3.12Å; W1364-E1366 PolarHBondContact O-N 3.15Å; E1366-C1368 VanDerWaalsContact C-N 3.3Å; E1366-C1368 PolarHBondContact O-N 2.89Å; E1366-L1370 VanDerWaalsContact O-CB 3.27Å; E1366-L1370 WeakPolarHBondContact O-CB 3.49Å; E1366-L1370 PolarHBondContact O-N 3.12Å |
| 1367 | T | 89.8 | Confident | 82.7 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 178.2 | -50.2 | 0 | 0 | 0 | 0 | 110.4 | R1291 V1329 Q1363 W1364 A1365 L1370 T1371 | R1291-T1367 HydrophobicContact CB-CG2 4.12Å; R1291-T1367 PolarHBondContact NE-OG1 2.75Å; V1329-T1367 HydrophobicContact CG1-CG2 3.92Å; V1329-T1367 HydrophobicContact CG2-CG2 4.45Å; Q1363-T1367 PolarHBondContact O-N 3.32Å; Q1363-T1367 PolarHBondContact O-OG1 3.2Å; W1364-T1367 HydrophobicContact CE3-CG2 4.37Å; W1364-T1367 CarbonylContact O-C 3.58Å; W1364-T1367 WeakPolarHBondContact O-CB 3.34Å; W1364-T1367 PolarHBondContact O-N 3.25Å; W1364-T1367 VanDerWaalsContact O-N 3.14Å; A1365-T1367 VanDerWaalsContact C-N 3.3Å; A1365-T1367 PolarHBondContact O-N 2.74Å; T1367-L1370 PolarHBondContact O-N 3.27Å; T1367-T1371 PolarHBondContact O-N 3.14Å; T1367-T1371 PolarHBondContact O-OG1 3.02Å |
| 1368 | C | 90.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.6 | -48.3 | -178.1 | -163 | 0 | 0 | 0 | 0 | 112.2 | V1329 C1333 W1364 A1365 E1366 L1370 T1371 V1372 L1408 | V1329-C1368 HydrophobicContact CG1-CB 3.88Å; C1333-C1368 HydrophobicContact CB-CB 4.13Å; W1364-C1368 VanDerWaalsContact O-CB 3.25Å; W1364-C1368 WeakPolarHBondContact O-CB 3.49Å; W1364-C1368 PolarHBondContact O-N 2.98Å; A1365-C1368 PolarHBondContact O-N 3.02Å; E1366-C1368 VanDerWaalsContact C-N 3.3Å; E1366-C1368 PolarHBondContact O-N 2.89Å; C1368-L1370 VanDerWaalsContact C-N 3.31Å; C1368-L1370 PolarHBondContact O-N 3.05Å; C1368-T1371 PolarHBondContact O-N 2.96Å; C1368-V1372 WeakPolarHBondContact O-CG1 3.3Å; C1368-V1372 PolarHBondContact O-N 2.92Å; C1368-L1408 WeakPolarHBondContact SG-CD2 3.4Å |
| 1369 | V | 89.3 | Confident | 85.8 | Confident | 31 Ų | 31 | 25.5 Ų | 25.5 | 19% | 0.188 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.8 | -42.1 | 175.1 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | A1365 L1373 E1415 | A1365-V1369 VanDerWaalsContact O-CG2 3.3Å; A1365-V1369 WeakPolarHBondContact O-CG2 3.49Å; A1365-V1369 PolarHBondContact O-N 3.19Å; V1369-L1373 HydrophobicContact CG1-CD1 3.79Å; V1369-L1373 WeakPolarHBondContact O-CB 3.27Å; V1369-L1373 WeakPolarHBondContact O-CD1 3.06Å; V1369-L1373 WeakPolarHBondContact O-CG 3.31Å; V1369-L1373 PolarHBondContact O-N 3.44Å; V1369-E1415 VanDerWaalsContact CG2-O 3.23Å; V1369-E1415 WeakPolarHBondContact CG2-O 3.07Å |
| 1370 | L | 89.3 | Confident | 86.6 | Confident | 40 Ų | 40 | 25.3 Ų | 25.3 | 21% | 0.209 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.8 | -45 | 176.4 | 175.6 | 64.1 | 0 | 0 | 0 | 111.9 | K1292 C1295 Q1296 E1366 T1367 C1368 G1374 | K1292-L1370 HydrophobicContact CG-CD2 4.02Å; C1295-L1370 HydrophobicContact CB-CD2 3.7Å; C1295-L1370 HydrophobicContact CB-CG 4.18Å; Q1296-L1370 HydrophobicContact CG-CD1 4.17Å; Q1296-L1370 HydrophobicContact CG-CD2 4.15Å; E1366-L1370 VanDerWaalsContact O-CB 3.27Å; E1366-L1370 WeakPolarHBondContact O-CB 3.49Å; E1366-L1370 PolarHBondContact O-N 3.12Å; T1367-L1370 PolarHBondContact O-N 3.27Å; C1368-L1370 VanDerWaalsContact C-N 3.31Å; C1368-L1370 PolarHBondContact O-N 3.05Å; L1370-G1374 PolarHBondContact O-N 2.97Å |
| 1371 | T | 90.6 | Very high | 87.1 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.1 | -46.7 | -178.8 | -58.4 | 0 | 0 | 0 | 0 | 112 | L1325 L1326 T1367 C1368 G1374 V1375 | L1325-T1371 HydrophobicContact CD2-CG2 4.24Å; L1325-T1371 HydrophobicContact CG-CG2 4.17Å; L1326-T1371 HydrophobicContact CB-CG2 4.49Å; L1326-T1371 HydrophobicContact CD1-CG2 4.02Å; T1367-T1371 PolarHBondContact O-N 3.14Å; T1367-T1371 PolarHBondContact O-OG1 3.02Å; C1368-T1371 PolarHBondContact O-N 2.96Å; T1371-G1374 WeakPolarHBondContact O-CA 3.23Å; T1371-G1374 PolarHBondContact O-N 3.47Å; T1371-G1374 VanDerWaalsContact O-N 3.15Å; T1371-V1375 HydrophobicContact CG2-CG2 4.45Å; T1371-V1375 WeakPolarHBondContact O-CG2 3.25Å; T1371-V1375 PolarHBondContact O-N 3.46Å |
| 1372 | V | 89.3 | Confident | 87.5 | Confident | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.3 | -45.8 | -178.2 | 65.7 | 0 | 0 | 0 | 0 | 112.5 | L1326 C1368 G1374 V1375 V1376 V1405 L1408 S1423 | L1326-V1372 HydrophobicContact CD1-CB 4.04Å; C1368-V1372 WeakPolarHBondContact O-CG1 3.3Å; C1368-V1372 PolarHBondContact O-N 2.92Å; V1372-G1374 PolarHBondContact O-N 3.47Å; V1372-V1375 PolarHBondContact O-N 2.87Å; V1372-V1376 PolarHBondContact O-N 3.1Å; V1372-V1376 VanDerWaalsContact O-N 3.08Å; V1372-V1405 HydrophobicContact CG2-CG2 3.82Å; V1372-L1408 HydrophobicContact CB-CD1 3.74Å; V1372-L1408 HydrophobicContact CG1-CD1 4.08Å; V1372-L1408 HydrophobicContact CG2-CD1 3.59Å; V1372-S1423 WeakPolarHBondContact CG1-OG 3.33Å |
| 1373 | L | 88.8 | Confident | 87.5 | Confident | 28 Ų | 28 | 21.2 Ų | 21.2 | 15% | 0.147 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.7 | -33.9 | 173.5 | -71.8 | 168.8 | 0 | 0 | 0 | 111.2 | V1369 K1377 K1422 S1423 | V1369-L1373 HydrophobicContact CG1-CD1 3.79Å; V1369-L1373 WeakPolarHBondContact O-CB 3.27Å; V1369-L1373 WeakPolarHBondContact O-CD1 3.06Å; V1369-L1373 WeakPolarHBondContact O-CG 3.31Å; V1369-L1373 PolarHBondContact O-N 3.44Å; L1373-K1377 WeakPolarHBondContact O-CB 3.39Å; L1373-K1377 PolarHBondContact O-N 3.25Å; L1373-K1422 HydrophobicContact CD1-CD 4.48Å; L1373-K1422 HydrophobicContact CD2-CB 4.19Å; L1373-K1422 HydrophobicContact CD2-CD 4.16Å; L1373-K1422 HydrophobicContact CD2-CG 3.92Å; L1373-S1423 VanDerWaalsContact CD2-OG 3.26Å; L1373-S1423 WeakPolarHBondContact CD2-OG 3.45Å |
| 1374 | G | 88.2 | Confident | 87.3 | Confident | 10 Ų | 10 | 23.5 Ų | 23.5 | 10% | 0.103 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.5 | -55.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1370 T1371 V1372 V1376 K1377 V1378 | L1370-G1374 PolarHBondContact O-N 2.97Å; T1371-G1374 WeakPolarHBondContact O-CA 3.23Å; T1371-G1374 PolarHBondContact O-N 3.47Å; T1371-G1374 VanDerWaalsContact O-N 3.15Å; V1372-G1374 PolarHBondContact O-N 3.47Å; G1374-V1376 VanDerWaalsContact C-N 3.35Å; G1374-V1376 PolarHBondContact O-N 3.49Å; G1374-K1377 WeakPolarHBondContact O-CB 3.5Å; G1374-K1377 PolarHBondContact O-N 3.21Å; G1374-K1377 VanDerWaalsContact O-N 3.14Å; G1374-V1378 PolarHBondContact O-N 2.93Å |
| 1375 | V | 90.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.4 | -39.4 | -178.2 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | L1299 L1322 F1323 T1371 V1372 K1377 V1378 L1379 | L1299-V1375 HydrophobicContact CD2-CG2 4.49Å; L1322-V1375 HydrophobicContact CB-CG1 4.26Å; L1322-V1375 HydrophobicContact CB-CG2 4.14Å; L1322-V1375 HydrophobicContact CD1-CG1 4.25Å; L1322-V1375 HydrophobicContact CD2-CG2 4.37Å; F1323-V1375 HydrophobicContact CE1-CG1 4.23Å; T1371-V1375 HydrophobicContact CG2-CG2 4.45Å; T1371-V1375 WeakPolarHBondContact O-CG2 3.25Å; T1371-V1375 PolarHBondContact O-N 3.46Å; V1372-V1375 PolarHBondContact O-N 2.87Å; V1375-K1377 VanDerWaalsContact C-N 3.34Å; V1375-K1377 PolarHBondContact O-N 2.79Å; V1375-V1378 WeakPolarHBondContact O-CB 3.43Å; V1375-V1378 PolarHBondContact O-N 3.12Å; V1375-L1379 PolarHBondContact O-N 3.02Å |
| 1376 | V | 88.8 | Confident | 86.2 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.2 | -44.4 | 171 | 163.4 | 0 | 0 | 0 | 0 | 111.6 | V1372 G1374 V1378 L1379 C1380 Q1401 D1426 L1427 | V1372-V1376 PolarHBondContact O-N 3.1Å; V1372-V1376 VanDerWaalsContact O-N 3.08Å; G1374-V1376 VanDerWaalsContact C-N 3.35Å; G1374-V1376 PolarHBondContact O-N 3.49Å; V1376-V1378 VanDerWaalsContact C-N 3.33Å; V1376-V1378 PolarHBondContact O-N 2.93Å; V1376-L1379 PolarHBondContact O-N 3.17Å; V1376-C1380 WeakPolarHBondContact O-CB 3.12Å; V1376-C1380 PolarHBondContact O-N 2.94Å; V1376-C1380 PolarHBondContact O-SG 3.36Å; V1376-Q1401 HydrophobicContact CG2-CG 4.05Å; V1376-D1426 HydrophobicContact CG1-CB 4.03Å; V1376-L1427 HydrophobicContact CB-CD2 4.43Å; V1376-L1427 HydrophobicContact CB-CG 4.42Å; V1376-L1427 HydrophobicContact CG1-CD2 3.89Å; V1376-L1427 HydrophobicContact CG1-CG 3.74Å; V1376-L1427 HydrophobicContact CG2-CD1 3.95Å; V1376-L1427 HydrophobicContact CG2-CD2 4.02Å; V1376-L1427 HydrophobicContact CG2-CG 3.83Å |
| 1377 | K | 89.1 | Confident | 85.6 | Confident | 134 Ų | 134 | 28.9 Ų | 28.9 | 58% | 0.583 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -64.1 | -36 | 177.7 | -169.4 | -177.6 | -176.7 | -171.9 | 0 | 112.7 | M1303 L1373 G1374 V1375 S1381 | M1303-K1377 HydrophobicContact CE-CG 4.32Å; M1303-K1377 HydrophobicContact SD-CG 4.24Å; L1373-K1377 WeakPolarHBondContact O-CB 3.39Å; L1373-K1377 PolarHBondContact O-N 3.25Å; G1374-K1377 WeakPolarHBondContact O-CB 3.5Å; G1374-K1377 PolarHBondContact O-N 3.21Å; G1374-K1377 VanDerWaalsContact O-N 3.14Å; V1375-K1377 VanDerWaalsContact C-N 3.34Å; V1375-K1377 PolarHBondContact O-N 2.79Å; K1377-S1381 VanDerWaalsContact O-CB 3.25Å; K1377-S1381 WeakPolarHBondContact O-CB 3.37Å; K1377-S1381 PolarHBondContact O-N 3.46Å; K1377-S1381 PolarHBondContact O-OG 2.88Å |
| 1378 | V | 88.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.3 | -51.9 | 171.1 | 173 | 0 | 0 | 0 | 0 | 110 | L1299 V1302 M1303 W1314 L1322 G1374 V1375 V1376 C1380 S1381 K1382 | L1299-V1378 HydrophobicContact CD2-CG2 4.23Å; V1302-V1378 HydrophobicContact CG1-CG1 3.78Å; V1302-V1378 HydrophobicContact CG1-CG2 4.17Å; M1303-V1378 HydrophobicContact CG-CG2 4.04Å; M1303-V1378 HydrophobicContact SD-CB 4.47Å; M1303-V1378 HydrophobicContact SD-CG2 3.94Å; W1314-V1378 HydrophobicContact CH2-CG1 4.44Å; W1314-V1378 HydrophobicContact CZ3-CG1 3.96Å; L1322-V1378 HydrophobicContact CD1-CG1 4.33Å; G1374-V1378 PolarHBondContact O-N 2.93Å; V1375-V1378 WeakPolarHBondContact O-CB 3.43Å; V1375-V1378 PolarHBondContact O-N 3.12Å; V1376-V1378 VanDerWaalsContact C-N 3.33Å; V1376-V1378 PolarHBondContact O-N 2.93Å; V1378-C1380 PolarHBondContact O-N 3.04Å; V1378-S1381 PolarHBondContact O-N 2.88Å; V1378-S1381 PolarHBondContact O-OG 3.31Å; V1378-K1382 HydrophobicContact CG1-CG 4.36Å; V1378-K1382 VanDerWaalsContact O-CB 3.28Å; V1378-K1382 WeakPolarHBondContact O-CB 3.22Å; V1378-K1382 WeakPolarHBondContact O-CG 3.05Å; V1378-K1382 PolarHBondContact O-N 3.32Å |
| 1379 | L | 85.4 | Confident | 84.1 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.3 | -48.9 | -178.8 | -166.9 | 75.7 | 0 | 0 | 0 | 112 | F1318 V1375 V1376 A1383 L1386 F1398 Q1401 L1427 L1433 | F1318-L1379 HydrophobicContact CE1-CD1 3.93Å; F1318-L1379 HydrophobicContact CE2-CD1 4.49Å; F1318-L1379 HydrophobicContact CZ-CD1 3.69Å; V1375-L1379 PolarHBondContact O-N 3.02Å; V1376-L1379 PolarHBondContact O-N 3.17Å; L1379-A1383 PolarHBondContact O-N 2.88Å; L1379-A1383 VanDerWaalsContact O-N 3.16Å; L1379-L1386 HydrophobicContact CD1-CD1 3.65Å; L1379-L1386 HydrophobicContact CG-CD1 4.4Å; L1379-F1398 HydrophobicContact CD2-CD2 4.3Å; L1379-Q1401 HydrophobicContact CD2-CG 4.32Å; L1379-L1427 HydrophobicContact CD2-CD2 3.87Å; L1379-L1433 HydrophobicContact CD2-CD1 4.18Å; L1379-L1433 HydrophobicContact CD2-CD2 3.94Å; L1379-L1433 HydrophobicContact CG-CD1 3.93Å; L1379-L1433 HydrophobicContact CG-CD2 4.27Å |
| 1380 | C | 85.9 | Confident | 83.4 | Confident | 21 Ų | 21 | 36.1 Ų | 36.1 | 14% | 0.142 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.3 | -48.3 | 179.3 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | V1376 V1378 K1382 A1383 C1430 | V1376-C1380 WeakPolarHBondContact O-CB 3.12Å; V1376-C1380 PolarHBondContact O-N 2.94Å; V1376-C1380 PolarHBondContact O-SG 3.36Å; V1378-C1380 PolarHBondContact O-N 3.04Å; C1380-K1382 VanDerWaalsContact C-N 3.31Å; C1380-K1382 PolarHBondContact O-N 3.06Å; C1380-A1383 WeakPolarHBondContact O-CB 3.5Å; C1380-A1383 PolarHBondContact O-N 3.37Å; C1380-C1430 HydrophobicContact CB-CB 3.76Å; C1380-C1430 VanDerWaalsContact SG-CB 3.54Å |
| 1381 | S | 84.6 | Confident | 82.6 | Confident | 62 Ų | 62 | 39.9 Ų | 39.9 | 43% | 0.434 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -76 | -15.9 | -175.5 | 67 | 0 | 0 | 0 | 0 | 114.8 | M1303 K1377 V1378 | M1303-S1381 WeakPolarHBondContact CE-OG 3.26Å; M1303-S1381 PolarHBondContact SD-OG 3.01Å; K1377-S1381 VanDerWaalsContact O-CB 3.25Å; K1377-S1381 WeakPolarHBondContact O-CB 3.37Å; K1377-S1381 PolarHBondContact O-N 3.46Å; K1377-S1381 PolarHBondContact O-OG 2.88Å; V1378-S1381 PolarHBondContact O-N 2.88Å; V1378-S1381 PolarHBondContact O-OG 3.31Å |
| 1382 | K | 85.6 | Confident | 81.8 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 10% | 0.096 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -105.8 | -0.3 | 177.7 | -58.7 | -65 | 176.3 | -173.2 | 0 | 113.4 | M1303 W1314 V1378 C1380 A1384 L1385 L1386 | M1303-K1382 WeakPolarHBondContact O-CE 3.27Å; M1303-K1382 PolarHBondContact O-NZ 2.91Å; W1314-K1382 HydrophobicContact CH2-CB 4.24Å; W1314-K1382 HydrophobicContact CH2-CD 4.15Å; W1314-K1382 HydrophobicContact CH2-CG 3.75Å; W1314-K1382 HydrophobicContact CZ2-CD 4.27Å; W1314-K1382 HydrophobicContact CZ2-CG 4.24Å; W1314-K1382 HydrophobicContact CZ3-CG 4.41Å; V1378-K1382 HydrophobicContact CG1-CG 4.36Å; V1378-K1382 VanDerWaalsContact O-CB 3.28Å; V1378-K1382 WeakPolarHBondContact O-CB 3.22Å; V1378-K1382 WeakPolarHBondContact O-CG 3.05Å; V1378-K1382 PolarHBondContact O-N 3.32Å; C1380-K1382 VanDerWaalsContact C-N 3.31Å; C1380-K1382 PolarHBondContact O-N 3.06Å; K1382-A1384 PolarHBondContact O-N 3.01Å; K1382-L1385 HydrophobicContact CD-CD1 4.21Å; K1382-L1385 WeakPolarHBondContact O-CA 3.47Å; K1382-L1385 WeakPolarHBondContact O-CB 3.41Å; K1382-L1385 PolarHBondContact O-N 3.32Å; K1382-L1386 HydrophobicContact CB-CG 4.45Å; K1382-L1386 WeakPolarHBondContact O-CG 3.39Å; K1382-L1386 PolarHBondContact O-N 3.04Å; K1382-L1386 VanDerWaalsContact O-N 3.16Å |
| 1383 | A | 80.6 | Confident | 81.2 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.033 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -43.9 | -40.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1379 C1380 L1385 L1386 N1387 E1432 L1433 | L1379-A1383 PolarHBondContact O-N 2.88Å; L1379-A1383 VanDerWaalsContact O-N 3.16Å; C1380-A1383 WeakPolarHBondContact O-CB 3.5Å; C1380-A1383 PolarHBondContact O-N 3.37Å; A1383-L1385 PolarHBondContact O-N 3.46Å; A1383-L1386 PolarHBondContact O-N 3.2Å; A1383-L1386 VanDerWaalsContact O-N 3.09Å; A1383-N1387 PolarHBondContact O-N 3.49Å; A1383-E1432 HydrophobicContact CB-CB 3.98Å; A1383-L1433 HydrophobicContact CB-CB 4.31Å; A1383-L1433 HydrophobicContact CB-CD1 4.32Å |
| 1384 | A | 77.1 | Confident | 80.9 | Confident | 82 Ų | 82 | 45.4 Ų | 45.4 | 68% | 0.678 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.4 | -34.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K1382 N1387 | K1382-A1384 PolarHBondContact O-N 3.01Å; A1384-N1387 WeakPolarHBondContact O-CB 3.41Å |
| 1385 | L | 76.9 | Confident | 80.3 | Confident | 61 Ų | 61 | 47.3 Ų | 47.3 | 32% | 0.319 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -81.2 | -21.4 | 172.9 | -63.5 | 174.7 | 0 | 0 | 0 | 112.3 | V1307 K1382 A1383 N1387 | V1307-L1385 HydrophobicContact CG2-CD1 4.32Å; K1382-L1385 HydrophobicContact CD-CD1 4.21Å; K1382-L1385 WeakPolarHBondContact O-CA 3.47Å; K1382-L1385 WeakPolarHBondContact O-CB 3.41Å; K1382-L1385 PolarHBondContact O-N 3.32Å; A1383-L1385 PolarHBondContact O-N 3.46Å; L1385-N1387 VanDerWaalsContact C-N 3.26Å |
| 1386 | L | 76.6 | Confident | 79.7 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -79.2 | -11.3 | 176.2 | -54.7 | -177.4 | 0 | 0 | 0 | 112.6 | W1314 F1318 L1379 K1382 A1383 D1388 L1389 F1394 L1436 | W1314-L1386 HydrophobicContact CB-CD2 4.25Å; W1314-L1386 HydrophobicContact CD2-CD2 4.02Å; W1314-L1386 HydrophobicContact CE3-CD2 4.1Å; W1314-L1386 HydrophobicContact CG-CD2 4.1Å; F1318-L1386 HydrophobicContact CE2-CD1 4.18Å; F1318-L1386 HydrophobicContact CE2-CD2 3.8Å; F1318-L1386 HydrophobicContact CZ-CD1 4.09Å; F1318-L1386 HydrophobicContact CZ-CD2 4.37Å; L1379-L1386 HydrophobicContact CD1-CD1 3.65Å; L1379-L1386 HydrophobicContact CG-CD1 4.4Å; K1382-L1386 HydrophobicContact CB-CG 4.45Å; K1382-L1386 WeakPolarHBondContact O-CG 3.39Å; K1382-L1386 PolarHBondContact O-N 3.04Å; K1382-L1386 VanDerWaalsContact O-N 3.16Å; A1383-L1386 PolarHBondContact O-N 3.2Å; A1383-L1386 VanDerWaalsContact O-N 3.09Å; L1386-D1388 PolarHBondContact O-N 3.39Å; L1386-L1389 HydrophobicContact CB-CD1 4.22Å; L1386-L1389 HydrophobicContact CD2-CD1 3.76Å; L1386-L1389 WeakPolarHBondContact O-CB 3.27Å; L1386-L1389 PolarHBondContact O-N 3Å; L1386-F1394 HydrophobicContact CB-CD2 4.33Å; L1386-L1436 HydrophobicContact CB-CD2 4.38Å |
| 1387 | N | 73.4 | Confident | 79.2 | Confident | 96 Ų | 96 | 51.2 Ų | 51.2 | 51% | 0.513 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -21.2 | 170.5 | -174.9 | 75.6 | 0 | 0 | 0 | 113 | A1383 A1384 L1385 L1436 | A1383-N1387 PolarHBondContact O-N 3.49Å; A1384-N1387 WeakPolarHBondContact O-CB 3.41Å; L1385-N1387 VanDerWaalsContact C-N 3.26Å; N1387-L1436 HydrophobicContact CB-CD1 4.27Å; N1387-L1436 WeakPolarHBondContact OD1-CD1 3.27Å |
| 1388 | D | 72.8 | Confident | 78.8 | Confident | 111 Ų | 111 | 46 Ų | 46 | 59% | 0.594 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -2.5 | 177.3 | -63.6 | -20.3 | 0 | 0 | 0 | 113.3 | A1311 L1386 | A1311-D1388 HydrophobicContact CB-CB 3.6Å; L1386-D1388 PolarHBondContact O-N 3.39Å |
| 1389 | L | 75.4 | Confident | 78.2 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -74.5 | 161.6 | 169.6 | -81 | 162.2 | 0 | 0 | 0 | 110.9 | A1311 W1314 R1315 L1386 D1393 | A1311-L1389 WeakPolarHBondContact O-CD2 3.5Å; W1314-L1389 HydrophobicContact CB-CD1 4.2Å; W1314-L1389 HydrophobicContact CB-CD2 4.38Å; W1314-L1389 HydrophobicContact CB-CG 4.5Å; R1315-L1389 HydrophobicContact CB-CD2 4.26Å; L1386-L1389 HydrophobicContact CB-CD1 4.22Å; L1386-L1389 HydrophobicContact CD2-CD1 3.76Å; L1386-L1389 WeakPolarHBondContact O-CB 3.27Å; L1386-L1389 PolarHBondContact O-N 3Å; L1389-D1393 HydrophobicContact CB-CB 4.49Å; L1389-D1393 HydrophobicContact CD2-CB 4.2Å |
| 1390 | S | 74.9 | Confident | 77.9 | Confident | 56 Ų | 56 | 52.1 Ų | 52.1 | 39% | 0.392 | 30% | 0.301 | S | S | . | . | trans | -63.9 | 144.5 | 168.3 | 89.5 | 0 | 0 | 0 | 0 | 110.1 | T1392 D1393 F1394 | S1390-T1392 PolarHBondContact O-N 2.92Å; S1390-T1392 VanDerWaalsContact O-N 3.14Å; S1390-D1393 WeakPolarHBondContact CB-OD2 3.33Å; S1390-D1393 PolarHBondContact O-N 3.33Å; S1390-D1393 PolarHBondContact OG-N 3.3Å; S1390-D1393 VanDerWaalsContact OG-N 3.09Å; S1390-D1393 PolarHBondContact OG-OD2 3.14Å; S1390-F1394 PolarHBondContact O-N 2.92Å | ||
| 1391 | Q | 72.1 | Confident | 77.7 | Confident | 120 Ų | 120 | 51.1 Ų | 51.1 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -53 | -36.7 | 177.2 | -71.4 | -168.7 | -34.6 | 0 | 0 | 112.1 | M1395 V1440 | Q1391-M1395 WeakPolarHBondContact O-CB 3.14Å; Q1391-M1395 WeakPolarHBondContact O-CG 3.15Å; Q1391-M1395 PolarHBondContact O-N 2.92Å; Q1391-V1440 HydrophobicContact CB-CG1 3.74Å; Q1391-V1440 HydrophobicContact CB-CG2 4.49Å; Q1391-V1440 HydrophobicContact CG-CG1 4.03Å; Q1391-V1440 HydrophobicContact CG-CG2 4.05Å |
| 1392 | T | 74.3 | Confident | 77.3 | Confident | 112 Ų | 112 | 49.6 Ų | 49.6 | 69% | 0.687 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.3 | -44 | 175.9 | -47.1 | 0 | 0 | 0 | 0 | 112.3 | S1390 L1396 | S1390-T1392 PolarHBondContact O-N 2.92Å; S1390-T1392 VanDerWaalsContact O-N 3.14Å; T1392-L1396 VanDerWaalsContact O-CB 3.22Å; T1392-L1396 WeakPolarHBondContact O-CB 3.45Å; T1392-L1396 PolarHBondContact O-N 3.36Å |
| 1393 | D | 76.4 | Confident | 76.9 | Confident | 33 Ų | 33 | 51.9 Ų | 51.9 | 18% | 0.176 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 178.8 | -69 | -58.4 | 0 | 0 | 0 | 111.8 | R1315 L1389 S1390 L1396 A1397 | R1315-D1393 WeakPolarHBondContact CD-OD1 3.41Å; R1315-D1393 IonicContact CZ-OD1 3.25Å; R1315-D1393 IonicContact NE-OD1 3.28Å; R1315-D1393 IonicContact NH1-OD1 3.66Å; R1315-D1393 PolarHBondContact NH1-OD1 2.82Å; L1389-D1393 HydrophobicContact CB-CB 4.49Å; L1389-D1393 HydrophobicContact CD2-CB 4.2Å; S1390-D1393 WeakPolarHBondContact CB-OD2 3.33Å; S1390-D1393 PolarHBondContact O-N 3.33Å; S1390-D1393 PolarHBondContact OG-N 3.3Å; S1390-D1393 VanDerWaalsContact OG-N 3.09Å; S1390-D1393 PolarHBondContact OG-OD2 3.14Å; D1393-L1396 PolarHBondContact O-N 3.42Å; D1393-A1397 WeakPolarHBondContact O-CB 3.38Å; D1393-A1397 PolarHBondContact O-N 2.69Å |
| 1394 | F | 81.4 | Confident | 76.9 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 1% | 0.013 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63 | -49.2 | 175.6 | 173.9 | -102.3 | 0 | 0 | 0 | 111.6 | L1386 S1390 L1396 A1397 F1398 L1433 L1436 V1440 | L1386-F1394 HydrophobicContact CB-CD2 4.33Å; S1390-F1394 PolarHBondContact O-N 2.92Å; F1394-L1396 VanDerWaalsContact C-N 3.33Å; F1394-L1396 PolarHBondContact O-N 3.46Å; F1394-A1397 PolarHBondContact O-N 3.05Å; F1394-F1398 HydrophobicContact CZ-CB 4.43Å; F1394-F1398 HydrophobicContact CZ-CD2 4.45Å; F1394-F1398 WeakPolarHBondContact O-CB 3.32Å; F1394-F1398 PolarHBondContact O-N 3.44Å; F1394-L1433 HydrophobicContact CE2-CD1 3.68Å; F1394-L1433 HydrophobicContact CZ-CD1 3.71Å; F1394-L1436 HydrophobicContact CD1-CD2 4.29Å; F1394-L1436 HydrophobicContact CD1-CG 4.09Å; F1394-L1436 HydrophobicContact CD2-CD2 3.72Å; F1394-L1436 HydrophobicContact CD2-CG 4.41Å; F1394-L1436 HydrophobicContact CE1-CB 4.38Å; F1394-L1436 HydrophobicContact CE1-CD2 4.06Å; F1394-L1436 HydrophobicContact CE1-CG 3.74Å; F1394-L1436 HydrophobicContact CE2-CD2 3.47Å; F1394-L1436 VanDerWaalsContact CE2-CD2 3.47Å; F1394-L1436 HydrophobicContact CE2-CG 4.1Å; F1394-L1436 HydrophobicContact CG-CD2 4.13Å; F1394-L1436 HydrophobicContact CG-CG 4.41Å; F1394-L1436 HydrophobicContact CZ-CB 4.19Å; F1394-L1436 HydrophobicContact CZ-CD2 3.65Å; F1394-L1436 HydrophobicContact CZ-CG 3.75Å; F1394-V1440 HydrophobicContact CD1-CG2 4.27Å |
| 1395 | M | 75.4 | Confident | 76.9 | Confident | 51 Ų | 51 | 48.6 Ų | 48.6 | 25% | 0.251 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65 | -36.5 | 178.5 | -72.7 | -61.7 | -61.5 | 0 | 0 | 112.3 | Q1391 F1398 C1399 V1440 T1441 | Q1391-M1395 WeakPolarHBondContact O-CB 3.14Å; Q1391-M1395 WeakPolarHBondContact O-CG 3.15Å; Q1391-M1395 PolarHBondContact O-N 2.92Å; M1395-F1398 PolarHBondContact O-N 2.86Å; M1395-C1399 VanDerWaalsContact O-CB 3.27Å; M1395-C1399 WeakPolarHBondContact O-CB 3.36Å; M1395-C1399 PolarHBondContact O-N 3.07Å; M1395-C1399 PolarHBondContact O-SG 3.5Å; M1395-V1440 HydrophobicContact CG-CB 4.36Å; M1395-V1440 HydrophobicContact CG-CG1 3.43Å; M1395-V1440 VanDerWaalsContact CG-CG1 3.43Å; M1395-V1440 HydrophobicContact SD-CB 4.31Å; M1395-V1440 HydrophobicContact SD-CG1 3.97Å; M1395-T1441 HydrophobicContact CE-CG2 4.49Å |
| 1396 | L | 77.9 | Confident | 76.5 | Confident | 77 Ų | 77 | 48.6 Ų | 48.6 | 40% | 0.403 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 172.5 | 178.3 | 61.7 | 0 | 0 | 0 | 111 | L1319 T1392 D1393 F1394 M1400 | L1319-L1396 HydrophobicContact CD2-CD2 4.4Å; T1392-L1396 VanDerWaalsContact O-CB 3.22Å; T1392-L1396 WeakPolarHBondContact O-CB 3.45Å; T1392-L1396 PolarHBondContact O-N 3.36Å; D1393-L1396 PolarHBondContact O-N 3.42Å; F1394-L1396 VanDerWaalsContact C-N 3.33Å; F1394-L1396 PolarHBondContact O-N 3.46Å; L1396-M1400 HydrophobicContact CD1-CG 4.08Å; L1396-M1400 HydrophobicContact CG-CG 4.48Å; L1396-M1400 VanDerWaalsContact O-CB 3.31Å; L1396-M1400 WeakPolarHBondContact O-CB 3.24Å; L1396-M1400 WeakPolarHBondContact O-CG 3.45Å; L1396-M1400 PolarHBondContact O-N 3.03Å |
| 1397 | A | 78.3 | Confident | 76.4 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1318 F1323 D1393 F1394 Q1401 | F1318-A1397 HydrophobicContact CG-CB 4.41Å; F1323-A1397 HydrophobicContact CE2-CB 4.01Å; F1323-A1397 HydrophobicContact CZ-CB 4Å; F1323-A1397 WeakPolarHBondContact CZ-O 3.37Å; D1393-A1397 WeakPolarHBondContact O-CB 3.38Å; D1393-A1397 PolarHBondContact O-N 2.69Å; F1394-A1397 PolarHBondContact O-N 3.05Å; A1397-Q1401 WeakPolarHBondContact O-CB 3.29Å; A1397-Q1401 PolarHBondContact O-N 2.92Å |
| 1398 | F | 81.1 | Confident | 76.5 | Confident | 24 Ų | 24 | 48.8 Ų | 48.8 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 177.8 | -174.2 | -101.9 | 0 | 0 | 0 | 112.1 | L1379 F1394 M1395 Q1401 I1402 L1433 | L1379-F1398 HydrophobicContact CD2-CD2 4.3Å; F1394-F1398 HydrophobicContact CZ-CB 4.43Å; F1394-F1398 HydrophobicContact CZ-CD2 4.45Å; F1394-F1398 WeakPolarHBondContact O-CB 3.32Å; F1394-F1398 PolarHBondContact O-N 3.44Å; M1395-F1398 PolarHBondContact O-N 2.86Å; F1398-Q1401 PolarHBondContact O-N 2.88Å; F1398-I1402 HydrophobicContact CD1-CD1 3.94Å; F1398-I1402 HydrophobicContact CE1-CD1 3.44Å; F1398-I1402 VanDerWaalsContact CE1-CD1 3.44Å; F1398-I1402 HydrophobicContact CZ-CD1 3.84Å; F1398-I1402 PolarHBondContact O-N 2.89Å; F1398-L1433 HydrophobicContact CD2-CD1 4.49Å; F1398-L1433 HydrophobicContact CD2-CD2 4.25Å; F1398-L1433 HydrophobicContact CD2-CG 4.38Å; F1398-L1433 HydrophobicContact CE2-CD2 3.92Å; F1398-L1433 HydrophobicContact CE2-CG 4.16Å |
| 1399 | C | 76.2 | Confident | 76.2 | Confident | 60 Ų | 60 | 43.8 Ų | 43.8 | 41% | 0.405 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 176.5 | -70.9 | 0 | 0 | 0 | 0 | 112.1 | M1395 Q1401 I1402 C1403 | M1395-C1399 VanDerWaalsContact O-CB 3.27Å; M1395-C1399 WeakPolarHBondContact O-CB 3.36Å; M1395-C1399 PolarHBondContact O-N 3.07Å; M1395-C1399 PolarHBondContact O-SG 3.5Å; C1399-Q1401 VanDerWaalsContact C-N 3.28Å; C1399-Q1401 PolarHBondContact O-N 2.79Å; C1399-I1402 PolarHBondContact O-N 2.77Å; C1399-I1402 VanDerWaalsContact O-N 3.14Å; C1399-C1403 PolarHBondContact O-N 2.8Å; C1399-C1403 PolarHBondContact O-SG 2.88Å; C1399-C1403 VanDerWaalsContact O-SG 3.36Å |
| 1400 | M | 79.4 | Confident | 75.6 | Confident | 71 Ų | 71 | 45.1 Ų | 45.1 | 35% | 0.35 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.2 | -42.4 | 174.5 | -74.2 | -69.5 | -66.2 | 0 | 0 | 111.5 | F1323 L1396 I1402 C1403 F1404 | F1323-M1400 HydrophobicContact CD2-CB 4.26Å; F1323-M1400 HydrophobicContact CE2-CB 3.96Å; F1323-M1400 HydrophobicContact CZ-CB 4.19Å; L1396-M1400 HydrophobicContact CD1-CG 4.08Å; L1396-M1400 HydrophobicContact CG-CG 4.48Å; L1396-M1400 VanDerWaalsContact O-CB 3.31Å; L1396-M1400 WeakPolarHBondContact O-CB 3.24Å; L1396-M1400 WeakPolarHBondContact O-CG 3.45Å; L1396-M1400 PolarHBondContact O-N 3.03Å; M1400-I1402 VanDerWaalsContact C-N 3.34Å; M1400-I1402 PolarHBondContact O-N 2.96Å; M1400-C1403 PolarHBondContact O-N 2.89Å; M1400-F1404 HydrophobicContact CB-CE2 4.49Å; M1400-F1404 HydrophobicContact CE-CE2 3.91Å; M1400-F1404 HydrophobicContact CE-CZ 3.98Å; M1400-F1404 WeakPolarHBondContact O-CD2 3.23Å; M1400-F1404 PolarHBondContact O-N 3.32Å |
| 1401 | Q | 81.9 | Confident | 75.1 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.7 | -34.6 | 177.9 | -173.8 | 56.3 | 79.1 | 0 | 0 | 112.8 | F1323 V1376 L1379 A1397 F1398 C1399 V1405 L1427 | F1323-Q1401 HydrophobicContact CE1-CB 4.37Å; V1376-Q1401 HydrophobicContact CG2-CG 4.05Å; L1379-Q1401 HydrophobicContact CD2-CG 4.32Å; A1397-Q1401 WeakPolarHBondContact O-CB 3.29Å; A1397-Q1401 PolarHBondContact O-N 2.92Å; F1398-Q1401 PolarHBondContact O-N 2.88Å; C1399-Q1401 VanDerWaalsContact C-N 3.28Å; C1399-Q1401 PolarHBondContact O-N 2.79Å; Q1401-V1405 WeakPolarHBondContact O-CB 3.25Å; Q1401-V1405 VanDerWaalsContact O-CG2 3.3Å; Q1401-V1405 WeakPolarHBondContact O-CG2 3.48Å; Q1401-V1405 PolarHBondContact O-N 3.4Å; Q1401-L1427 HydrophobicContact CG-CD1 4.34Å |
| 1402 | I | 75.5 | Confident | 74.7 | Confident | 30 Ų | 30 | 42.8 Ų | 42.8 | 15% | 0.154 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.9 | -46.6 | 172.1 | -70.4 | 174.9 | 0 | 0 | 0 | 110.6 | F1398 C1399 M1400 F1404 V1405 E1406 | F1398-I1402 HydrophobicContact CD1-CD1 3.94Å; F1398-I1402 HydrophobicContact CE1-CD1 3.44Å; F1398-I1402 VanDerWaalsContact CE1-CD1 3.44Å; F1398-I1402 HydrophobicContact CZ-CD1 3.84Å; F1398-I1402 PolarHBondContact O-N 2.89Å; C1399-I1402 PolarHBondContact O-N 2.77Å; C1399-I1402 VanDerWaalsContact O-N 3.14Å; M1400-I1402 VanDerWaalsContact C-N 3.34Å; M1400-I1402 PolarHBondContact O-N 2.96Å; I1402-F1404 PolarHBondContact O-N 2.86Å; I1402-V1405 CarbonylContact O-C 3.54Å; I1402-V1405 WeakPolarHBondContact O-CA 3.45Å; I1402-V1405 PolarHBondContact O-N 3.04Å; I1402-E1406 PolarHBondContact O-N 3.4Å |
| 1403 | C | 76.5 | Confident | 74.5 | Confident | 70 Ų | 70 | 38.6 Ų | 38.6 | 47% | 0.473 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.9 | -43.3 | 179 | -68 | 0 | 0 | 0 | 0 | 112.4 | C1399 M1400 V1405 E1406 E1407 | C1399-C1403 PolarHBondContact O-N 2.8Å; C1399-C1403 PolarHBondContact O-SG 2.88Å; C1399-C1403 VanDerWaalsContact O-SG 3.36Å; M1400-C1403 PolarHBondContact O-N 2.89Å; C1403-V1405 VanDerWaalsContact C-N 3.34Å; C1403-V1405 PolarHBondContact O-N 3.07Å; C1403-E1406 PolarHBondContact O-N 2.92Å; C1403-E1407 WeakPolarHBondContact O-CB 3.49Å; C1403-E1407 PolarHBondContact O-N 3.28Å |
| 1404 | F | 80.9 | Confident | 74.1 | Confident | 14 Ų | 14 | 39.6 Ų | 39.6 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -40.9 | 173 | -71.5 | -57.2 | 0 | 0 | 0 | 112.2 | F1323 L1326 H1327 M1330 M1400 I1402 E1407 L1408 | F1323-F1404 HydrophobicContact CB-CE2 3.76Å; F1323-F1404 HydrophobicContact CB-CZ 4.16Å; F1323-F1404 HydrophobicContact CD1-CD2 4.16Å; F1323-F1404 AromaticContact CD1-CE2 3.75Å; F1323-F1404 HydrophobicContact CD1-CE2 3.75Å; F1323-F1404 AromaticContact CG-CE2 3.85Å; F1323-F1404 HydrophobicContact CG-CE2 3.85Å; L1326-F1404 HydrophobicContact CD2-CB 3.71Å; L1326-F1404 HydrophobicContact CD2-CD1 4.4Å; L1326-F1404 HydrophobicContact CD2-CD2 3.68Å; L1326-F1404 HydrophobicContact CD2-CE2 4.37Å; L1326-F1404 HydrophobicContact CD2-CG 3.7Å; L1326-F1404 HydrophobicContact CG-CB 4.35Å; L1326-F1404 HydrophobicContact CG-CD1 4.34Å; L1326-F1404 HydrophobicContact CG-CD2 4.35Å; L1326-F1404 HydrophobicContact CG-CG 4.12Å; H1327-F1404 HydrophobicContact CB-CE1 4.04Å; H1327-F1404 HydrophobicContact CB-CZ 4.26Å; M1330-F1404 HydrophobicContact CE-CD1 3.93Å; M1330-F1404 HydrophobicContact SD-CB 4.26Å; M1330-F1404 HydrophobicContact SD-CD1 3.52Å; M1330-F1404 VanDerWaalsContact SD-CD1 3.52Å; M1330-F1404 HydrophobicContact SD-CE1 4.25Å; M1330-F1404 HydrophobicContact SD-CG 4.25Å; M1400-F1404 HydrophobicContact CB-CE2 4.49Å; M1400-F1404 HydrophobicContact CE-CE2 3.91Å; M1400-F1404 HydrophobicContact CE-CZ 3.98Å; M1400-F1404 WeakPolarHBondContact O-CD2 3.23Å; M1400-F1404 PolarHBondContact O-N 3.32Å; I1402-F1404 PolarHBondContact O-N 2.86Å; F1404-E1407 PolarHBondContact O-N 2.78Å; F1404-L1408 VanDerWaalsContact O-CB 3.23Å; F1404-L1408 WeakPolarHBondContact O-CB 3.43Å; F1404-L1408 VanDerWaalsContact O-CD1 3.31Å; F1404-L1408 WeakPolarHBondContact O-CD1 3.48Å; F1404-L1408 WeakPolarHBondContact O-CG 3.47Å; F1404-L1408 PolarHBondContact O-N 2.8Å |
| 1405 | V | 76.7 | Confident | 73.7 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.7 | -36.8 | 177.7 | 164.8 | 0 | 0 | 0 | 0 | 111.9 | V1372 Q1401 I1402 C1403 A1409 A1420 F1424 | V1372-V1405 HydrophobicContact CG2-CG2 3.82Å; Q1401-V1405 WeakPolarHBondContact O-CB 3.25Å; Q1401-V1405 VanDerWaalsContact O-CG2 3.3Å; Q1401-V1405 WeakPolarHBondContact O-CG2 3.48Å; Q1401-V1405 PolarHBondContact O-N 3.4Å; I1402-V1405 CarbonylContact O-C 3.54Å; I1402-V1405 WeakPolarHBondContact O-CA 3.45Å; I1402-V1405 PolarHBondContact O-N 3.04Å; C1403-V1405 VanDerWaalsContact C-N 3.34Å; C1403-V1405 PolarHBondContact O-N 3.07Å; V1405-A1409 VanDerWaalsContact O-CB 3.23Å; V1405-A1409 WeakPolarHBondContact O-CB 3.09Å; V1405-A1409 PolarHBondContact O-N 2.77Å; V1405-A1420 WeakPolarHBondContact CG1-O 3.46Å; V1405-F1424 HydrophobicContact CG1-CB 3.84Å; V1405-F1424 HydrophobicContact CG1-CD2 4.47Å |
| 1406 | E | 70.4 | Confident | 73.9 | Confident | 61 Ų | 61 | 41.3 Ų | 41.3 | 29% | 0.285 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.1 | -46.3 | 173.6 | -174.6 | -174.6 | 173.6 | 0 | 0 | 111.7 | I1402 C1403 A1409 N1410 P1460 | I1402-E1406 PolarHBondContact O-N 3.4Å; C1403-E1406 PolarHBondContact O-N 2.92Å; E1406-A1409 PolarHBondContact O-N 3.11Å; E1406-N1410 VanDerWaalsContact O-CB 3.28Å; E1406-N1410 WeakPolarHBondContact O-CB 3.49Å; E1406-N1410 PolarHBondContact O-N 3.29Å; E1406-N1410 PolarHBondContact O-ND2 3.45Å; E1406-P1460 HydrophobicContact CG-CB 4.2Å; E1406-P1460 HydrophobicContact CG-CG 4.5Å; E1406-P1460 VanDerWaalsContact OE1-CB 3.25Å; E1406-P1460 WeakPolarHBondContact OE1-CB 3.17Å; E1406-P1460 WeakPolarHBondContact OE1-CG 3.25Å |
| 1407 | E | 74 | Confident | 73.7 | Confident | 101 Ų | 101 | 37.9 Ų | 37.9 | 47% | 0.472 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.4 | -40.4 | 178.4 | -173.8 | 177.2 | -169.7 | 0 | 0 | 111.8 | M1330 F1334 C1403 F1404 N1410 G1411 | M1330-E1407 HydrophobicContact CE-CB 3.81Å; M1330-E1407 VanDerWaalsContact CE-CD 3.41Å; M1330-E1407 HydrophobicContact CE-CG 3.64Å; M1330-E1407 WeakPolarHBondContact CE-OE2 3.47Å; F1334-E1407 HydrophobicContact CE2-CG 4.37Å; C1403-E1407 WeakPolarHBondContact O-CB 3.49Å; C1403-E1407 PolarHBondContact O-N 3.28Å; F1404-E1407 PolarHBondContact O-N 2.78Å; E1407-N1410 CarbonylContact O-C 3.51Å; E1407-N1410 WeakPolarHBondContact O-CA 3.37Å; E1407-N1410 WeakPolarHBondContact O-CB 3.35Å; E1407-N1410 PolarHBondContact O-N 3.36Å; E1407-G1411 PolarHBondContact O-N 2.66Å |
| 1408 | L | 75.7 | Confident | 73.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.2 | -42 | 174.4 | -72.6 | 167.9 | 0 | 0 | 0 | 112.8 | L1326 M1330 F1334 C1368 V1372 F1404 N1410 G1411 V1416 A1420 | L1326-L1408 HydrophobicContact CD1-CD1 4.34Å; M1330-L1408 HydrophobicContact CE-CD2 4.14Å; M1330-L1408 HydrophobicContact CE-CG 3.93Å; M1330-L1408 HydrophobicContact CG-CD2 3.48Å; M1330-L1408 VanDerWaalsContact CG-CD2 3.48Å; M1330-L1408 HydrophobicContact CG-CG 4.1Å; M1330-L1408 HydrophobicContact SD-CD1 4.01Å; M1330-L1408 HydrophobicContact SD-CD2 3.84Å; M1330-L1408 HydrophobicContact SD-CG 3.75Å; F1334-L1408 HydrophobicContact CZ-CD2 4.43Å; C1368-L1408 WeakPolarHBondContact SG-CD2 3.4Å; V1372-L1408 HydrophobicContact CB-CD1 3.74Å; V1372-L1408 HydrophobicContact CG1-CD1 4.08Å; V1372-L1408 HydrophobicContact CG2-CD1 3.59Å; F1404-L1408 VanDerWaalsContact O-CB 3.23Å; F1404-L1408 WeakPolarHBondContact O-CB 3.43Å; F1404-L1408 VanDerWaalsContact O-CD1 3.31Å; F1404-L1408 WeakPolarHBondContact O-CD1 3.48Å; F1404-L1408 WeakPolarHBondContact O-CG 3.47Å; F1404-L1408 PolarHBondContact O-N 2.8Å; L1408-N1410 PolarHBondContact O-N 2.81Å; L1408-G1411 PolarHBondContact O-N 2.91Å; L1408-V1416 HydrophobicContact CB-CG1 4.21Å; L1408-V1416 HydrophobicContact CD2-CG1 3.55Å; L1408-A1420 HydrophobicContact CB-CB 3.6Å |
| 1409 | A | 64.9 | Low | 73 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 5% | 0.05 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -38.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1405 E1406 G1411 S1417 A1420 F1461 | V1405-A1409 VanDerWaalsContact O-CB 3.23Å; V1405-A1409 WeakPolarHBondContact O-CB 3.09Å; V1405-A1409 PolarHBondContact O-N 2.77Å; E1406-A1409 PolarHBondContact O-N 3.11Å; A1409-G1411 PolarHBondContact O-N 3.15Å; A1409-S1417 WeakPolarHBondContact O-CB 3.44Å; A1409-S1417 PolarHBondContact O-OG 3.32Å; A1409-A1420 HydrophobicContact CB-CB 4.06Å; A1409-F1461 HydrophobicContact CB-CE1 3.42Å; A1409-F1461 VanDerWaalsContact CB-CE1 3.42Å; A1409-F1461 HydrophobicContact CB-CZ 3.47Å; A1409-F1461 VanDerWaalsContact CB-CZ 3.47Å |
| 1410 | N | 63.6 | Low | 72.9 | Confident | 50 Ų | 50 | 36.3 Ų | 36.3 | 27% | 0.267 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -2.2 | 172.4 | -88.5 | -69.5 | 0 | 0 | 0 | 114.9 | E1406 E1407 L1408 K1464 | E1406-N1410 VanDerWaalsContact O-CB 3.28Å; E1406-N1410 WeakPolarHBondContact O-CB 3.49Å; E1406-N1410 PolarHBondContact O-N 3.29Å; E1406-N1410 PolarHBondContact O-ND2 3.45Å; E1407-N1410 CarbonylContact O-C 3.51Å; E1407-N1410 WeakPolarHBondContact O-CA 3.37Å; E1407-N1410 WeakPolarHBondContact O-CB 3.35Å; E1407-N1410 PolarHBondContact O-N 3.36Å; L1408-N1410 PolarHBondContact O-N 2.81Å; N1410-K1464 HydrophobicContact CB-CD 4.45Å; N1410-K1464 VanDerWaalsContact O-CE 3.28Å; N1410-K1464 WeakPolarHBondContact O-CE 3.35Å; N1410-K1464 PolarHBondContact O-NZ 2.95Å; N1410-K1464 WeakPolarHBondContact OD1-CD 3.29Å; N1410-K1464 PolarHBondContact OD1-NZ 2.89Å |
| 1411 | G | 64.9 | Low | 72.4 | Confident | 6 Ų | 6 | 34.7 Ų | 34.7 | 6% | 0.062 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -59.4 | 159.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1407 L1408 A1409 S1417 | E1407-G1411 PolarHBondContact O-N 2.66Å; L1408-G1411 PolarHBondContact O-N 2.91Å; A1409-G1411 PolarHBondContact O-N 3.15Å; G1411-S1417 PolarHBondContact O-OG 3.17Å |
| 1412 | S | 63.3 | Low | 72 | Confident | 120 Ų | 120 | 37.4 Ų | 37.4 | 84% | 0.839 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -85.2 | -11 | 172.5 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1413 | N | 70.5 | Confident | 72.2 | Confident | 24 Ų | 24 | 36 Ų | 36 | 13% | 0.128 | 20% | 0.202 | C | C | . | . | trans | -98.2 | 116.4 | -177.2 | -173.1 | -44 | 0 | 0 | 0 | 110.3 | A1365 E1415 V1416 S1417 | A1365-N1413 WeakPolarHBondContact CB-ND2 3.31Å; N1413-E1415 VanDerWaalsContact C-N 3.33Å; N1413-E1415 PolarHBondContact O-N 3.3Å; N1413-E1415 PolarHBondContact OD1-N 3.39Å; N1413-E1415 VanDerWaalsContact OD1-N 3.17Å; N1413-V1416 HydrophobicContact CB-CB 4.31Å; N1413-V1416 HydrophobicContact CB-CG2 3.88Å; N1413-V1416 WeakPolarHBondContact O-CB 3.23Å; N1413-V1416 PolarHBondContact O-N 2.76Å; N1413-S1417 PolarHBondContact O-N 3.04Å; N1413-S1417 VanDerWaalsContact O-N 3.08Å; N1413-S1417 PolarHBondContact O-OG 3.19Å | ||
| 1414 | T | 68.1 | Low | 72 | Confident | 55 Ų | 55 | 33.8 Ų | 33.8 | 34% | 0.337 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.6 | -35.1 | -173.5 | 49.1 | 0 | 0 | 0 | 0 | 113.8 | V1416 S1417 V1418 | T1414-V1416 VanDerWaalsContact C-N 3.27Å; T1414-V1416 PolarHBondContact O-N 3.42Å; T1414-S1417 PolarHBondContact O-N 3.01Å; T1414-V1418 WeakPolarHBondContact O-CB 3.33Å; T1414-V1418 VanDerWaalsContact O-CG2 3.29Å; T1414-V1418 WeakPolarHBondContact O-CG2 3.39Å; T1414-V1418 PolarHBondContact O-N 3.45Å |
| 1415 | E | 72.3 | Confident | 71.5 | Confident | 88 Ų | 88 | 34.5 Ų | 34.5 | 41% | 0.411 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.9 | -37.8 | 176.7 | -65 | -177 | -153.8 | 0 | 0 | 110.7 | V1369 N1413 G1419 | V1369-E1415 VanDerWaalsContact CG2-O 3.23Å; V1369-E1415 WeakPolarHBondContact CG2-O 3.07Å; N1413-E1415 VanDerWaalsContact C-N 3.33Å; N1413-E1415 PolarHBondContact O-N 3.3Å; N1413-E1415 PolarHBondContact OD1-N 3.39Å; N1413-E1415 VanDerWaalsContact OD1-N 3.17Å; E1415-G1419 PolarHBondContact O-N 3.4Å |
| 1416 | V | 80.6 | Confident | 71.3 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.4 | -49.3 | 177.6 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | A1365 L1408 N1413 T1414 V1418 G1419 A1420 | A1365-V1416 HydrophobicContact CB-CG2 3.53Å; L1408-V1416 HydrophobicContact CB-CG1 4.21Å; L1408-V1416 HydrophobicContact CD2-CG1 3.55Å; N1413-V1416 HydrophobicContact CB-CB 4.31Å; N1413-V1416 HydrophobicContact CB-CG2 3.88Å; N1413-V1416 WeakPolarHBondContact O-CB 3.23Å; N1413-V1416 PolarHBondContact O-N 2.76Å; T1414-V1416 VanDerWaalsContact C-N 3.27Å; T1414-V1416 PolarHBondContact O-N 3.42Å; V1416-V1418 VanDerWaalsContact C-N 3.28Å; V1416-V1418 PolarHBondContact O-N 3.45Å; V1416-G1419 PolarHBondContact O-N 3.06Å; V1416-G1419 VanDerWaalsContact O-N 3.1Å; V1416-A1420 PolarHBondContact O-N 3Å |
| 1417 | S | 72.1 | Confident | 71.6 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.8 | -37.2 | 179.8 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | A1409 G1411 N1413 T1414 A1420 L1421 | A1409-S1417 WeakPolarHBondContact O-CB 3.44Å; A1409-S1417 PolarHBondContact O-OG 3.32Å; G1411-S1417 PolarHBondContact O-OG 3.17Å; N1413-S1417 PolarHBondContact O-N 3.04Å; N1413-S1417 VanDerWaalsContact O-N 3.08Å; N1413-S1417 PolarHBondContact O-OG 3.19Å; T1414-S1417 PolarHBondContact O-N 3.01Å; S1417-A1420 PolarHBondContact O-N 2.95Å; S1417-L1421 WeakPolarHBondContact O-CB 3.28Å; S1417-L1421 WeakPolarHBondContact O-CG 3.39Å; S1417-L1421 PolarHBondContact O-N 3Å |
| 1418 | V | 70 | Confident | 71.3 | Confident | 51 Ų | 51 | 31.8 Ų | 31.8 | 31% | 0.309 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -70.3 | -39.5 | 174.7 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | T1414 V1416 A1420 L1421 K1422 S1473 S1477 | T1414-V1418 WeakPolarHBondContact O-CB 3.33Å; T1414-V1418 VanDerWaalsContact O-CG2 3.29Å; T1414-V1418 WeakPolarHBondContact O-CG2 3.39Å; T1414-V1418 PolarHBondContact O-N 3.45Å; V1416-V1418 VanDerWaalsContact C-N 3.28Å; V1416-V1418 PolarHBondContact O-N 3.45Å; V1418-A1420 VanDerWaalsContact C-N 3.31Å; V1418-A1420 PolarHBondContact O-N 3.27Å; V1418-L1421 PolarHBondContact O-N 3.4Å; V1418-K1422 VanDerWaalsContact O-CB 3.32Å; V1418-K1422 WeakPolarHBondContact O-CB 3.28Å; V1418-K1422 PolarHBondContact O-N 2.97Å; V1418-S1473 WeakPolarHBondContact CG2-OG 3.32Å; V1418-S1477 WeakPolarHBondContact CG2-OG 3.48Å |
| 1419 | G | 74.5 | Confident | 71 | Confident | 4 Ų | 4 | 36 Ų | 36 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.6 | -38 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1415 V1416 S1423 | E1415-G1419 PolarHBondContact O-N 3.4Å; V1416-G1419 PolarHBondContact O-N 3.06Å; V1416-G1419 VanDerWaalsContact O-N 3.1Å; G1419-S1423 WeakPolarHBondContact O-CB 3.47Å; G1419-S1423 PolarHBondContact O-N 3.08Å; G1419-S1423 PolarHBondContact O-OG 3.45Å |
| 1420 | A | 74.9 | Confident | 71.5 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.9 | -49.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1405 L1408 A1409 V1416 S1417 V1418 K1422 S1423 F1424 | V1405-A1420 WeakPolarHBondContact CG1-O 3.46Å; L1408-A1420 HydrophobicContact CB-CB 3.6Å; A1409-A1420 HydrophobicContact CB-CB 4.06Å; V1416-A1420 PolarHBondContact O-N 3Å; S1417-A1420 PolarHBondContact O-N 2.95Å; V1418-A1420 VanDerWaalsContact C-N 3.31Å; V1418-A1420 PolarHBondContact O-N 3.27Å; A1420-K1422 PolarHBondContact O-N 2.97Å; A1420-S1423 WeakPolarHBondContact O-CA 3.34Å; A1420-S1423 WeakPolarHBondContact O-CB 3.45Å; A1420-S1423 PolarHBondContact O-N 3.07Å; A1420-F1424 PolarHBondContact O-N 2.9Å |
| 1421 | L | 69.5 | Low | 71.8 | Confident | 38 Ų | 38 | 41.8 Ų | 41.8 | 20% | 0.199 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.5 | -38.1 | 174 | -81.8 | 167.6 | 0 | 0 | 0 | 112.4 | S1417 V1418 F1424 Q1425 F1461 L1481 | S1417-L1421 WeakPolarHBondContact O-CB 3.28Å; S1417-L1421 WeakPolarHBondContact O-CG 3.39Å; S1417-L1421 PolarHBondContact O-N 3Å; V1418-L1421 PolarHBondContact O-N 3.4Å; L1421-F1424 WeakPolarHBondContact O-CB 3.46Å; L1421-F1424 PolarHBondContact O-N 3.42Å; L1421-Q1425 PolarHBondContact O-N 3.17Å; L1421-F1461 HydrophobicContact CD2-CD1 4Å; L1421-F1461 HydrophobicContact CD2-CE1 3.39Å; L1421-F1461 HydrophobicContact CD2-CZ 4.08Å; L1421-F1461 HydrophobicContact CG-CE1 4.04Å; L1421-L1481 HydrophobicContact CD2-CD2 4.29Å |
| 1422 | K | 73.4 | Confident | 72.2 | Confident | 57 Ų | 57 | 47.4 Ų | 47.4 | 25% | 0.248 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.4 | -38.8 | 174.4 | -173.6 | 175.9 | -177.5 | 173.2 | 0 | 112.9 | L1373 V1418 A1420 F1424 Q1425 D1426 | L1373-K1422 HydrophobicContact CD1-CD 4.48Å; L1373-K1422 HydrophobicContact CD2-CB 4.19Å; L1373-K1422 HydrophobicContact CD2-CD 4.16Å; L1373-K1422 HydrophobicContact CD2-CG 3.92Å; V1418-K1422 VanDerWaalsContact O-CB 3.32Å; V1418-K1422 WeakPolarHBondContact O-CB 3.28Å; V1418-K1422 PolarHBondContact O-N 2.97Å; A1420-K1422 PolarHBondContact O-N 2.97Å; K1422-F1424 VanDerWaalsContact C-N 3.28Å; K1422-F1424 PolarHBondContact O-N 3.32Å; K1422-Q1425 WeakPolarHBondContact O-CB 3.31Å; K1422-Q1425 PolarHBondContact O-N 2.92Å; K1422-Q1425 VanDerWaalsContact O-N 3.14Å; K1422-D1426 PolarHBondContact O-N 3Å |
| 1423 | S | 78.7 | Confident | 72.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.7 | -39 | 173.4 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | V1372 L1373 G1419 A1420 D1426 L1427 | V1372-S1423 WeakPolarHBondContact CG1-OG 3.33Å; L1373-S1423 VanDerWaalsContact CD2-OG 3.26Å; L1373-S1423 WeakPolarHBondContact CD2-OG 3.45Å; G1419-S1423 WeakPolarHBondContact O-CB 3.47Å; G1419-S1423 PolarHBondContact O-N 3.08Å; G1419-S1423 PolarHBondContact O-OG 3.45Å; A1420-S1423 WeakPolarHBondContact O-CA 3.34Å; A1420-S1423 WeakPolarHBondContact O-CB 3.45Å; A1420-S1423 PolarHBondContact O-N 3.07Å; S1423-D1426 PolarHBondContact O-N 3.42Å; S1423-L1427 WeakPolarHBondContact O-CG 3.48Å; S1423-L1427 PolarHBondContact O-N 3.04Å |
| 1424 | F | 73.8 | Confident | 72.9 | Confident | 25 Ų | 25 | 42.2 Ų | 42.2 | 11% | 0.11 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 171.1 | -170.1 | -118.2 | 0 | 0 | 0 | 112.5 | V1405 A1420 L1421 K1422 D1426 L1427 L1428 T1457 | V1405-F1424 HydrophobicContact CG1-CB 3.84Å; V1405-F1424 HydrophobicContact CG1-CD2 4.47Å; A1420-F1424 PolarHBondContact O-N 2.9Å; L1421-F1424 WeakPolarHBondContact O-CB 3.46Å; L1421-F1424 PolarHBondContact O-N 3.42Å; K1422-F1424 VanDerWaalsContact C-N 3.28Å; K1422-F1424 PolarHBondContact O-N 3.32Å; F1424-D1426 VanDerWaalsContact C-N 3.34Å; F1424-D1426 PolarHBondContact O-N 2.9Å; F1424-L1427 PolarHBondContact O-N 3.45Å; F1424-L1428 HydrophobicContact CD1-CD1 4.02Å; F1424-L1428 HydrophobicContact CE1-CD1 3.43Å; F1424-L1428 VanDerWaalsContact CE1-CD1 3.43Å; F1424-L1428 HydrophobicContact CE1-CG 4.21Å; F1424-L1428 HydrophobicContact CE2-CD1 4.31Å; F1424-L1428 HydrophobicContact CE2-CG 4.26Å; F1424-L1428 HydrophobicContact CZ-CD1 3.57Å; F1424-L1428 HydrophobicContact CZ-CD2 4.3Å; F1424-L1428 HydrophobicContact CZ-CG 3.99Å; F1424-L1428 WeakPolarHBondContact O-CG 3.34Å; F1424-L1428 PolarHBondContact O-N 2.65Å; F1424-T1457 HydrophobicContact CE2-CG2 3.67Å; F1424-T1457 HydrophobicContact CZ-CG2 3.43Å; F1424-T1457 VanDerWaalsContact CZ-CG2 3.43Å |
| 1425 | Q | 68.7 | Low | 72.9 | Confident | 29 Ų | 29 | 44.3 Ų | 44.3 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -40 | 175.2 | -179.4 | 169.7 | 58.5 | 0 | 0 | 112.9 | L1421 K1422 Q1429 L1481 | L1421-Q1425 PolarHBondContact O-N 3.17Å; K1422-Q1425 WeakPolarHBondContact O-CB 3.31Å; K1422-Q1425 PolarHBondContact O-N 2.92Å; K1422-Q1425 VanDerWaalsContact O-N 3.14Å; Q1425-Q1429 WeakPolarHBondContact O-CG 3.22Å; Q1425-Q1429 PolarHBondContact O-N 3.4Å; Q1425-Q1429 PolarHBondContact O-NE2 3.22Å; Q1425-L1481 HydrophobicContact CB-CD1 3.69Å; Q1425-L1481 HydrophobicContact CG-CD1 3.88Å |
| 1426 | D | 74.1 | Confident | 72.9 | Confident | 64 Ų | 64 | 40.8 Ų | 40.8 | 34% | 0.342 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -72.7 | -36.1 | 179.6 | -71.6 | -20.3 | 0 | 0 | 0 | 111.4 | V1376 K1422 S1423 F1424 Q1429 C1430 | V1376-D1426 HydrophobicContact CG1-CB 4.03Å; K1422-D1426 PolarHBondContact O-N 3Å; S1423-D1426 PolarHBondContact O-N 3.42Å; F1424-D1426 VanDerWaalsContact C-N 3.34Å; F1424-D1426 PolarHBondContact O-N 2.9Å; D1426-Q1429 PolarHBondContact O-N 3.18Å; D1426-C1430 PolarHBondContact O-N 3.24Å |
| 1427 | L | 74.9 | Confident | 72.2 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -49.5 | 169.6 | -74.2 | 169.2 | 0 | 0 | 0 | 111.8 | V1376 L1379 Q1401 S1423 F1424 Q1429 C1430 L1433 | V1376-L1427 HydrophobicContact CB-CD2 4.43Å; V1376-L1427 HydrophobicContact CB-CG 4.42Å; V1376-L1427 HydrophobicContact CG1-CD2 3.89Å; V1376-L1427 HydrophobicContact CG1-CG 3.74Å; V1376-L1427 HydrophobicContact CG2-CD1 3.95Å; V1376-L1427 HydrophobicContact CG2-CD2 4.02Å; V1376-L1427 HydrophobicContact CG2-CG 3.83Å; L1379-L1427 HydrophobicContact CD2-CD2 3.87Å; Q1401-L1427 HydrophobicContact CG-CD1 4.34Å; S1423-L1427 WeakPolarHBondContact O-CG 3.48Å; S1423-L1427 PolarHBondContact O-N 3.04Å; F1424-L1427 PolarHBondContact O-N 3.45Å; L1427-Q1429 PolarHBondContact O-N 3.22Å; L1427-Q1429 VanDerWaalsContact O-N 3.15Å; L1427-C1430 PolarHBondContact O-N 3.29Å; L1427-L1433 HydrophobicContact CD2-CD2 3.62Å |
| 1428 | L | 68.5 | Low | 71.8 | Confident | 36 Ų | 36 | 46.7 Ų | 46.7 | 19% | 0.188 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -6.7 | 179.8 | -71.8 | -176.1 | 0 | 0 | 0 | 114.5 | F1424 L1492 | F1424-L1428 HydrophobicContact CD1-CD1 4.02Å; F1424-L1428 HydrophobicContact CE1-CD1 3.43Å; F1424-L1428 VanDerWaalsContact CE1-CD1 3.43Å; F1424-L1428 HydrophobicContact CE1-CG 4.21Å; F1424-L1428 HydrophobicContact CE2-CD1 4.31Å; F1424-L1428 HydrophobicContact CE2-CG 4.26Å; F1424-L1428 HydrophobicContact CZ-CD1 3.57Å; F1424-L1428 HydrophobicContact CZ-CD2 4.3Å; F1424-L1428 HydrophobicContact CZ-CG 3.99Å; F1424-L1428 WeakPolarHBondContact O-CG 3.34Å; F1424-L1428 PolarHBondContact O-N 2.65Å; L1428-L1492 HydrophobicContact CD1-CD1 4.45Å |
| 1429 | Q | 69.8 | Low | 71.5 | Confident | 90 Ų | 90 | 48.6 Ų | 48.6 | 42% | 0.421 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -10.9 | 175.7 | -76.6 | 179.8 | 61.9 | 0 | 0 | 114 | Q1425 D1426 L1427 K1431 | Q1425-Q1429 WeakPolarHBondContact O-CG 3.22Å; Q1425-Q1429 PolarHBondContact O-N 3.4Å; Q1425-Q1429 PolarHBondContact O-NE2 3.22Å; D1426-Q1429 PolarHBondContact O-N 3.18Å; L1427-Q1429 PolarHBondContact O-N 3.22Å; L1427-Q1429 VanDerWaalsContact O-N 3.15Å; Q1429-K1431 PolarHBondContact O-N 2.7Å |
| 1430 | C | 74.4 | Confident | 70.8 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 9% | 0.088 | 24% | 0.24 | C | C | . | . | trans | -80.9 | 106.6 | 177.1 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | C1380 D1426 L1427 L1433 L1434 | C1380-C1430 HydrophobicContact CB-CB 3.76Å; C1380-C1430 VanDerWaalsContact SG-CB 3.54Å; D1426-C1430 PolarHBondContact O-N 3.24Å; L1427-C1430 PolarHBondContact O-N 3.29Å; C1430-L1433 HydrophobicContact CB-CB 3.96Å; C1430-L1433 VanDerWaalsContact SG-CB 3.54Å; C1430-L1434 WeakPolarHBondContact O-CD1 3.2Å; C1430-L1434 VanDerWaalsContact O-CG 3.31Å; C1430-L1434 WeakPolarHBondContact O-CG 3.31Å; C1430-L1434 PolarHBondContact O-N 3.34Å | ||
| 1431 | K | 70.3 | Confident | 69.6 | Low | 163 Ų | 163 | 52.7 Ų | 52.7 | 71% | 0.709 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.4 | -46 | -178.5 | -71.5 | -169.7 | 174.7 | -170.5 | 0 | 112.1 | Q1429 L1433 L1434 E1435 | Q1429-K1431 PolarHBondContact O-N 2.7Å; K1431-L1433 VanDerWaalsContact C-N 3.32Å; K1431-L1433 PolarHBondContact O-N 2.86Å; K1431-L1434 PolarHBondContact O-N 3.26Å; K1431-E1435 WeakPolarHBondContact O-CB 3.37Å; K1431-E1435 PolarHBondContact O-N 2.71Å |
| 1432 | E | 74.8 | Confident | 68.4 | Low | 124 Ų | 124 | 57 Ų | 57 | 58% | 0.579 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.1 | -41.3 | -176.9 | -59.7 | 86.8 | 163.7 | 0 | 0 | 111.7 | A1383 E1435 L1436 | A1383-E1432 HydrophobicContact CB-CB 3.98Å; E1432-E1435 PolarHBondContact O-N 3.49Å; E1432-L1436 WeakPolarHBondContact O-CB 3.34Å; E1432-L1436 PolarHBondContact O-N 2.94Å |
| 1433 | L | 76.3 | Confident | 66.6 | Low | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 177 | -170.9 | 70.3 | 0 | 0 | 0 | 111.6 | L1379 A1383 F1394 F1398 L1427 C1430 K1431 L1436 C1437 | L1379-L1433 HydrophobicContact CD2-CD1 4.18Å; L1379-L1433 HydrophobicContact CD2-CD2 3.94Å; L1379-L1433 HydrophobicContact CG-CD1 3.93Å; L1379-L1433 HydrophobicContact CG-CD2 4.27Å; A1383-L1433 HydrophobicContact CB-CB 4.31Å; A1383-L1433 HydrophobicContact CB-CD1 4.32Å; F1394-L1433 HydrophobicContact CE2-CD1 3.68Å; F1394-L1433 HydrophobicContact CZ-CD1 3.71Å; F1398-L1433 HydrophobicContact CD2-CD1 4.49Å; F1398-L1433 HydrophobicContact CD2-CD2 4.25Å; F1398-L1433 HydrophobicContact CD2-CG 4.38Å; F1398-L1433 HydrophobicContact CE2-CD2 3.92Å; F1398-L1433 HydrophobicContact CE2-CG 4.16Å; L1427-L1433 HydrophobicContact CD2-CD2 3.62Å; C1430-L1433 HydrophobicContact CB-CB 3.96Å; C1430-L1433 VanDerWaalsContact SG-CB 3.54Å; K1431-L1433 VanDerWaalsContact C-N 3.32Å; K1431-L1433 PolarHBondContact O-N 2.86Å; L1433-L1436 PolarHBondContact O-N 3.49Å; L1433-C1437 PolarHBondContact O-N 2.89Å; L1433-C1437 PolarHBondContact O-SG 2.73Å |
| 1434 | L | 70.2 | Confident | 64.5 | Low | 36 Ų | 36 | 66.4 Ų | 66.4 | 19% | 0.188 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.8 | -34.9 | 177.5 | -69.5 | 165.5 | 0 | 0 | 0 | 112.6 | C1430 K1431 C1437 R1438 Y1491 | C1430-L1434 WeakPolarHBondContact O-CD1 3.2Å; C1430-L1434 VanDerWaalsContact O-CG 3.31Å; C1430-L1434 WeakPolarHBondContact O-CG 3.31Å; C1430-L1434 PolarHBondContact O-N 3.34Å; K1431-L1434 PolarHBondContact O-N 3.26Å; L1434-C1437 PolarHBondContact O-N 2.97Å; L1434-R1438 WeakPolarHBondContact O-CG 3.49Å; L1434-R1438 PolarHBondContact O-N 3.49Å; L1434-Y1491 VanDerWaalsContact CD1-OH 3.25Å; L1434-Y1491 WeakPolarHBondContact CD1-OH 3.42Å |
| 1435 | E | 69 | Low | 62.8 | Low | 98 Ų | 98 | 76.3 Ų | 76.3 | 46% | 0.458 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 171.2 | -142 | 75.9 | -94.6 | 0 | 0 | 110.3 | K1431 E1432 C1437 R1438 T1439 | K1431-E1435 WeakPolarHBondContact O-CB 3.37Å; K1431-E1435 PolarHBondContact O-N 2.71Å; E1432-E1435 PolarHBondContact O-N 3.49Å; E1435-C1437 PolarHBondContact O-N 2.91Å; E1435-R1438 WeakPolarHBondContact O-CB 3.37Å; E1435-R1438 PolarHBondContact O-N 3.22Å; E1435-R1438 VanDerWaalsContact O-N 3.12Å; E1435-R1438 VanDerWaalsContact OE1-CD 3.31Å; E1435-R1438 WeakPolarHBondContact OE1-CD 3.41Å; E1435-R1438 IonicContact OE1-CZ 3.83Å; E1435-R1438 IonicContact OE1-NE 2.71Å; E1435-R1438 IonicContact OE1-NH1 2.69Å; E1435-R1438 PolarHBondContact OE1-NH1 3.12Å; E1435-R1438 IonicContact OE2-NH1 3.21Å; E1435-T1439 WeakPolarHBondContact O-CG2 3.4Å; E1435-T1439 PolarHBondContact O-N 3.33Å |
| 1436 | L | 71.5 | Confident | 61.4 | Low | 15 Ų | 15 | 81 Ų | 81 | 8% | 0.079 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 174.8 | -173.6 | 54.6 | 0 | 0 | 0 | 111 | L1386 N1387 F1394 E1432 L1433 R1438 T1439 V1440 | L1386-L1436 HydrophobicContact CB-CD2 4.38Å; N1387-L1436 HydrophobicContact CB-CD1 4.27Å; N1387-L1436 WeakPolarHBondContact OD1-CD1 3.27Å; F1394-L1436 HydrophobicContact CD1-CD2 4.29Å; F1394-L1436 HydrophobicContact CD1-CG 4.09Å; F1394-L1436 HydrophobicContact CD2-CD2 3.72Å; F1394-L1436 HydrophobicContact CD2-CG 4.41Å; F1394-L1436 HydrophobicContact CE1-CB 4.38Å; F1394-L1436 HydrophobicContact CE1-CD2 4.06Å; F1394-L1436 HydrophobicContact CE1-CG 3.74Å; F1394-L1436 HydrophobicContact CE2-CD2 3.47Å; F1394-L1436 VanDerWaalsContact CE2-CD2 3.47Å; F1394-L1436 HydrophobicContact CE2-CG 4.1Å; F1394-L1436 HydrophobicContact CG-CD2 4.13Å; F1394-L1436 HydrophobicContact CG-CG 4.41Å; F1394-L1436 HydrophobicContact CZ-CB 4.19Å; F1394-L1436 HydrophobicContact CZ-CD2 3.65Å; F1394-L1436 HydrophobicContact CZ-CG 3.75Å; E1432-L1436 WeakPolarHBondContact O-CB 3.34Å; E1432-L1436 PolarHBondContact O-N 2.94Å; L1433-L1436 PolarHBondContact O-N 3.49Å; L1436-R1438 VanDerWaalsContact C-N 3.28Å; L1436-R1438 PolarHBondContact O-N 3.12Å; L1436-T1439 PolarHBondContact O-N 3.46Å; L1436-T1439 PolarHBondContact O-OG1 2.86Å; L1436-V1440 HydrophobicContact CD1-CG2 4.3Å; L1436-V1440 WeakPolarHBondContact O-CG2 3.39Å; L1436-V1440 PolarHBondContact O-N 3.35Å; L1436-V1440 VanDerWaalsContact O-N 3.08Å |
| 1437 | C | 67.7 | Low | 60.2 | Low | 16 Ų | 16 | 82.7 Ų | 82.7 | 11% | 0.108 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -56.1 | -37.2 | 172.7 | -66.6 | 0 | 0 | 0 | 0 | 113.4 | L1433 L1434 E1435 T1441 | L1433-C1437 PolarHBondContact O-N 2.89Å; L1433-C1437 PolarHBondContact O-SG 2.73Å; L1434-C1437 PolarHBondContact O-N 2.97Å; E1435-C1437 PolarHBondContact O-N 2.91Å; C1437-T1441 PolarHBondContact O-N 3.01Å; C1437-T1441 PolarHBondContact O-OG1 3.31Å |
| 1438 | R | 62.3 | Low | 58.7 | Low | 114 Ų | 114 | 88.4 Ų | 88.4 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.3 | -31.9 | 173.9 | -72.3 | 166.3 | 173.1 | 178.1 | -2.9 | 113.5 | L1434 E1435 L1436 L1443 | L1434-R1438 WeakPolarHBondContact O-CG 3.49Å; L1434-R1438 PolarHBondContact O-N 3.49Å; E1435-R1438 WeakPolarHBondContact O-CB 3.37Å; E1435-R1438 PolarHBondContact O-N 3.22Å; E1435-R1438 VanDerWaalsContact O-N 3.12Å; E1435-R1438 VanDerWaalsContact OE1-CD 3.31Å; E1435-R1438 WeakPolarHBondContact OE1-CD 3.41Å; E1435-R1438 IonicContact OE1-CZ 3.83Å; E1435-R1438 IonicContact OE1-NE 2.71Å; E1435-R1438 IonicContact OE1-NH1 2.69Å; E1435-R1438 PolarHBondContact OE1-NH1 3.12Å; E1435-R1438 IonicContact OE2-NH1 3.21Å; L1436-R1438 VanDerWaalsContact C-N 3.28Å; L1436-R1438 PolarHBondContact O-N 3.12Å; R1438-L1443 HydrophobicContact CB-CD1 3.79Å; R1438-L1443 HydrophobicContact CG-CD1 4.03Å; R1438-L1443 VanDerWaalsContact O-CD1 3.27Å; R1438-L1443 WeakPolarHBondContact O-CD1 3.43Å |
| 1439 | T | 64 | Low | 57.3 | Low | 91 Ų | 91 | 91 Ų | 91 | 56% | 0.558 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -76.5 | -26 | 176.1 | 62 | 0 | 0 | 0 | 0 | 113.1 | E1435 L1436 | E1435-T1439 WeakPolarHBondContact O-CG2 3.4Å; E1435-T1439 PolarHBondContact O-N 3.33Å; L1436-T1439 PolarHBondContact O-N 3.46Å; L1436-T1439 PolarHBondContact O-OG1 2.86Å |
| 1440 | V | 59.5 | Low | 56.1 | Low | 26 Ų | 26 | 89.8 Ų | 89.8 | 16% | 0.158 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -92.1 | -23.3 | -179.3 | -175.8 | 0 | 0 | 0 | 0 | 112.8 | Q1391 F1394 M1395 L1436 | Q1391-V1440 HydrophobicContact CB-CG1 3.74Å; Q1391-V1440 HydrophobicContact CB-CG2 4.49Å; Q1391-V1440 HydrophobicContact CG-CG1 4.03Å; Q1391-V1440 HydrophobicContact CG-CG2 4.05Å; F1394-V1440 HydrophobicContact CD1-CG2 4.27Å; M1395-V1440 HydrophobicContact CG-CB 4.36Å; M1395-V1440 HydrophobicContact CG-CG1 3.43Å; M1395-V1440 VanDerWaalsContact CG-CG1 3.43Å; M1395-V1440 HydrophobicContact SD-CB 4.31Å; M1395-V1440 HydrophobicContact SD-CG1 3.97Å; L1436-V1440 HydrophobicContact CD1-CG2 4.3Å; L1436-V1440 WeakPolarHBondContact O-CG2 3.39Å; L1436-V1440 PolarHBondContact O-N 3.35Å; L1436-V1440 VanDerWaalsContact O-N 3.08Å |
| 1441 | T | 50.8 | Low | 54.7 | Low | 64 Ų | 64 | 94.4 Ų | 94.4 | 39% | 0.393 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -92 | 125.6 | 169 | 51.7 | 0 | 0 | 0 | 0 | 110.4 | M1395 C1437 L1443 | M1395-T1441 HydrophobicContact CE-CG2 4.49Å; C1437-T1441 PolarHBondContact O-N 3.01Å; C1437-T1441 PolarHBondContact O-OG1 3.31Å; T1441-L1443 PolarHBondContact O-N 2.74Å |
| 1442 | P | 44 | Very low | 53.4 | Low | 129 Ų | 129 | 92.9 Ų | 92.9 | 84% | 0.838 | 48% | 0.478 | S | S | * | . | trans | -71.7 | 94.2 | -177.4 | 27.9 | -34.1 | 0 | 0 | 0 | 110.9 | N1444 | P1442-N1444 VanDerWaalsContact C-N 3.3Å; P1442-N1444 PolarHBondContact O-N 3.02Å | ||
| 1443 | L | 34.5 | Very low | 52.1 | Low | 123 Ų | 123 | 91.9 Ų | 91.9 | 64% | 0.644 | 48% | 0.477 | S | S | * | . | trans | -66.3 | 83.4 | 175 | -91.2 | 108.9 | 0 | 0 | 0 | 111.7 | R1438 T1441 | R1438-L1443 HydrophobicContact CB-CD1 3.79Å; R1438-L1443 HydrophobicContact CG-CD1 4.03Å; R1438-L1443 VanDerWaalsContact O-CD1 3.27Å; R1438-L1443 WeakPolarHBondContact O-CD1 3.43Å; T1441-L1443 PolarHBondContact O-N 2.74Å | ||
| 1444 | N | 35.2 | Very low | 50.9 | Low | 132 Ų | 132 | 94.7 Ų | 94.7 | 71% | 0.706 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -153 | 114.5 | 158 | -108.6 | -70.9 | 0 | 0 | 0 | 112.3 | P1442 D1446 | P1442-N1444 VanDerWaalsContact C-N 3.3Å; P1442-N1444 PolarHBondContact O-N 3.02Å; N1444-D1446 PolarHBondContact O-N 2.88Å |
| 1445 | R | 39 | Very low | 49.9 | Very low | 232 Ų | 232 | 99.3 Ų | 99.3 | 88% | 0.875 | 51% | 0.511 | S | S | * | . | S | Bend | trans | 83.5 | -25.1 | 153 | -56.9 | -174.6 | 176.2 | -154 | -5.3 | 122 | ||
| 1446 | D | 39.1 | Very low | 48.8 | Very low | 128 Ų | 128 | 99.7 Ų | 99.7 | 68% | 0.684 | 51% | 0.514 | S | S | * | . | trans | -95.7 | 110.8 | -179.1 | -75.4 | -36.1 | 0 | 0 | 0 | 114.6 | N1444 Q1448 C1449 | N1444-D1446 PolarHBondContact O-N 2.88Å; D1446-Q1448 PolarHBondContact O-N 2.9Å; D1446-C1449 PolarHBondContact O-N 3.4Å | ||
| 1447 | T | 47.5 | Very low | 47.9 | Very low | 99 Ų | 99 | 100.4 Ų | 100.4 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59 | -27.7 | 174.4 | 49.3 | 0 | 0 | 0 | 0 | 113.4 | C1449 S1450 E1451 | T1447-C1449 PolarHBondContact O-N 2.92Å; T1447-C1449 VanDerWaalsContact O-N 3.12Å; T1447-S1450 PolarHBondContact O-N 2.94Å; T1447-S1450 VanDerWaalsContact O-N 3.12Å; T1447-S1450 PolarHBondContact O-OG 2.86Å; T1447-E1451 PolarHBondContact O-N 3.12Å |
| 1448 | Q | 44.3 | Very low | 47.1 | Very low | 128 Ų | 128 | 102.5 Ų | 102.5 | 60% | 0.598 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.8 | -23 | -179.9 | -71.9 | -167.2 | -1.9 | 0 | 0 | 114.2 | D1446 E1451 K1452 | D1446-Q1448 PolarHBondContact O-N 2.9Å; Q1448-E1451 WeakPolarHBondContact CA-OE2 3.4Å; Q1448-K1452 VanDerWaalsContact O-CB 3.31Å; Q1448-K1452 WeakPolarHBondContact O-CB 3.39Å; Q1448-K1452 PolarHBondContact O-N 3.38Å |
| 1449 | C | 38.7 | Very low | 46.5 | Very low | 90 Ų | 90 | 99 Ų | 99 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -80 | -36.8 | 176.1 | -76.3 | 0 | 0 | 0 | 0 | 112.6 | D1446 T1447 K1452 L1453 | D1446-C1449 PolarHBondContact O-N 3.4Å; T1447-C1449 PolarHBondContact O-N 2.92Å; T1447-C1449 VanDerWaalsContact O-N 3.12Å; C1449-K1452 PolarHBondContact O-N 3.25Å; C1449-L1453 PolarHBondContact O-N 2.87Å |
| 1450 | S | 45.5 | Very low | 45.8 | Very low | 64 Ų | 64 | 96.4 Ų | 96.4 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 167.3 | 35.8 | 0 | 0 | 0 | 0 | 111.2 | T1447 K1452 L1453 M1454 | T1447-S1450 PolarHBondContact O-N 2.94Å; T1447-S1450 VanDerWaalsContact O-N 3.12Å; T1447-S1450 PolarHBondContact O-OG 2.86Å; S1450-K1452 PolarHBondContact O-N 2.74Å; S1450-L1453 PolarHBondContact O-N 2.86Å; S1450-M1454 WeakPolarHBondContact O-CB 3.5Å; S1450-M1454 WeakPolarHBondContact O-CG 3.38Å; S1450-M1454 PolarHBondContact O-N 2.97Å |
| 1451 | E | 44 | Very low | 45.4 | Very low | 110 Ų | 110 | 96.8 Ų | 96.8 | 51% | 0.514 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 173.8 | -70.6 | 179.5 | 117.6 | 0 | 0 | 111.4 | T1447 Q1448 L1453 M1454 H1455 | T1447-E1451 PolarHBondContact O-N 3.12Å; Q1448-E1451 WeakPolarHBondContact CA-OE2 3.4Å; E1451-L1453 PolarHBondContact O-N 3.42Å; E1451-M1454 CarbonylContact O-C 3.58Å; E1451-M1454 PolarHBondContact O-N 2.91Å; E1451-H1455 WeakPolarHBondContact O-CB 3.47Å; E1451-H1455 PolarHBondContact O-N 3.31Å |
| 1452 | K | 43.4 | Very low | 45.3 | Very low | 132 Ų | 132 | 100.3 Ų | 100.3 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.2 | -42.4 | 177 | -92.2 | 175.1 | 174.3 | 167.6 | 0 | 113.1 | Q1448 C1449 S1450 M1454 H1455 M1456 | Q1448-K1452 VanDerWaalsContact O-CB 3.31Å; Q1448-K1452 WeakPolarHBondContact O-CB 3.39Å; Q1448-K1452 PolarHBondContact O-N 3.38Å; C1449-K1452 PolarHBondContact O-N 3.25Å; S1450-K1452 PolarHBondContact O-N 2.74Å; K1452-M1454 VanDerWaalsContact C-N 3.31Å; K1452-M1454 PolarHBondContact O-N 2.92Å; K1452-H1455 PolarHBondContact O-N 3.38Å; K1452-M1456 HydrophobicContact CB-CE 4.49Å; K1452-M1456 WeakPolarHBondContact O-CB 3.35Å; K1452-M1456 WeakPolarHBondContact O-CE 3.32Å; K1452-M1456 WeakPolarHBondContact O-CG 3.49Å; K1452-M1456 PolarHBondContact O-N 2.9Å |
| 1453 | L | 46.7 | Very low | 45.6 | Very low | 103 Ų | 103 | 100.2 Ų | 100.2 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 177.1 | -151.4 | 79.7 | 0 | 0 | 0 | 111.1 | C1449 S1450 E1451 M1456 T1457 | C1449-L1453 PolarHBondContact O-N 2.87Å; S1450-L1453 PolarHBondContact O-N 2.86Å; E1451-L1453 PolarHBondContact O-N 3.42Å; L1453-M1456 HydrophobicContact CD1-CE 4.29Å; L1453-T1457 WeakPolarHBondContact O-CB 3.25Å; L1453-T1457 VanDerWaalsContact O-CG2 3.28Å; L1453-T1457 WeakPolarHBondContact O-CG2 3.28Å; L1453-T1457 PolarHBondContact O-N 3.03Å; L1453-T1457 PolarHBondContact O-OG1 3.07Å |
| 1454 | M | 52.3 | Low | 46.2 | Very low | 59 Ų | 59 | 97.6 Ų | 97.6 | 29% | 0.291 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.3 | -40.2 | 172.2 | -69.4 | 178 | 179.7 | 0 | 0 | 112.6 | S1450 E1451 K1452 T1457 I1458 | S1450-M1454 WeakPolarHBondContact O-CB 3.5Å; S1450-M1454 WeakPolarHBondContact O-CG 3.38Å; S1450-M1454 PolarHBondContact O-N 2.97Å; E1451-M1454 CarbonylContact O-C 3.58Å; E1451-M1454 PolarHBondContact O-N 2.91Å; K1452-M1454 VanDerWaalsContact C-N 3.31Å; K1452-M1454 PolarHBondContact O-N 2.92Å; M1454-T1457 WeakPolarHBondContact CA-OG1 3.2Å; M1454-T1457 PolarHBondContact O-N 3.33Å; M1454-T1457 PolarHBondContact O-OG1 3.06Å; M1454-I1458 WeakPolarHBondContact O-CB 3.32Å; M1454-I1458 PolarHBondContact O-N 2.71Å |
| 1455 | H | 49 | Very low | 46.9 | Very low | 132 Ų | 132 | 92.6 Ų | 92.6 | 61% | 0.611 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.2 | -45.2 | 178.9 | -121.8 | -82.7 | 0 | 0 | 0 | 111.2 | E1451 K1452 T1457 A1459 P1460 | E1451-H1455 WeakPolarHBondContact O-CB 3.47Å; E1451-H1455 PolarHBondContact O-N 3.31Å; K1452-H1455 PolarHBondContact O-N 3.38Å; H1455-T1457 PolarHBondContact O-N 3.2Å; H1455-A1459 WeakPolarHBondContact ND1-CB 3.24Å; H1455-A1459 WeakPolarHBondContact O-CB 3.28Å; H1455-A1459 PolarHBondContact O-N 3.14Å; H1455-P1460 VanDerWaalsContact O-CD 3.24Å; H1455-P1460 WeakPolarHBondContact O-CD 3.45Å |
| 1456 | M | 45.8 | Very low | 47.3 | Very low | 107 Ų | 107 | 83 Ų | 83 | 53% | 0.527 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.1 | -20.5 | 176.3 | -68.4 | -176.5 | -62.6 | 0 | 0 | 113.2 | K1452 L1453 | K1452-M1456 HydrophobicContact CB-CE 4.49Å; K1452-M1456 WeakPolarHBondContact O-CB 3.35Å; K1452-M1456 WeakPolarHBondContact O-CE 3.32Å; K1452-M1456 WeakPolarHBondContact O-CG 3.49Å; K1452-M1456 PolarHBondContact O-N 2.9Å; L1453-M1456 HydrophobicContact CD1-CE 4.29Å |
| 1457 | T | 51.7 | Low | 47.6 | Very low | 30 Ų | 30 | 84.8 Ų | 84.8 | 18% | 0.184 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -104.2 | -20.4 | -177.8 | 52.8 | 0 | 0 | 0 | 0 | 114.8 | F1424 L1453 M1454 H1455 F1461 | F1424-T1457 HydrophobicContact CE2-CG2 3.67Å; F1424-T1457 HydrophobicContact CZ-CG2 3.43Å; F1424-T1457 VanDerWaalsContact CZ-CG2 3.43Å; L1453-T1457 WeakPolarHBondContact O-CB 3.25Å; L1453-T1457 VanDerWaalsContact O-CG2 3.28Å; L1453-T1457 WeakPolarHBondContact O-CG2 3.28Å; L1453-T1457 PolarHBondContact O-N 3.03Å; L1453-T1457 PolarHBondContact O-OG1 3.07Å; M1454-T1457 WeakPolarHBondContact CA-OG1 3.2Å; M1454-T1457 PolarHBondContact O-N 3.33Å; M1454-T1457 PolarHBondContact O-OG1 3.06Å; H1455-T1457 PolarHBondContact O-N 3.2Å; T1457-F1461 VanDerWaalsContact O-CD2 3.28Å; T1457-F1461 WeakPolarHBondContact O-CD2 3.18Å |
| 1458 | I | 52.3 | Low | 47.6 | Very low | 59 Ų | 59 | 82.5 Ų | 82.5 | 30% | 0.303 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -114.5 | -38.4 | -177.5 | -58.4 | 177.4 | 0 | 0 | 0 | 112.1 | M1454 F1461 R1462 W1482 A1495 | M1454-I1458 WeakPolarHBondContact O-CB 3.32Å; M1454-I1458 PolarHBondContact O-N 2.71Å; I1458-F1461 PolarHBondContact O-N 3.47Å; I1458-R1462 PolarHBondContact O-N 3.24Å; I1458-W1482 HydrophobicContact CD1-CZ2 4.5Å; I1458-A1495 HydrophobicContact CD1-CB 4.32Å |
| 1459 | A | 48.7 | Very low | 47.8 | Very low | 40 Ų | 40 | 76.8 Ų | 76.8 | 33% | 0.331 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.4 | -42.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | H1455 F1461 R1462 | H1455-A1459 WeakPolarHBondContact ND1-CB 3.24Å; H1455-A1459 WeakPolarHBondContact O-CB 3.28Å; H1455-A1459 PolarHBondContact O-N 3.14Å; A1459-F1461 PolarHBondContact O-N 2.83Å; A1459-R1462 PolarHBondContact O-N 3.03Å; A1459-R1462 VanDerWaalsContact O-N 3.17Å |
| 1460 | P | 49 | Very low | 48.2 | Very low | 37 Ų | 37 | 77 Ų | 77 | 24% | 0.24 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.2 | -33.2 | 175 | -24.7 | 33.9 | 0 | 0 | 0 | 113 | E1406 H1455 | E1406-P1460 HydrophobicContact CG-CB 4.2Å; E1406-P1460 HydrophobicContact CG-CG 4.5Å; E1406-P1460 VanDerWaalsContact OE1-CB 3.25Å; E1406-P1460 WeakPolarHBondContact OE1-CB 3.17Å; E1406-P1460 WeakPolarHBondContact OE1-CG 3.25Å; H1455-P1460 VanDerWaalsContact O-CD 3.24Å; H1455-P1460 WeakPolarHBondContact O-CD 3.45Å |
| 1461 | F | 51.3 | Low | 48.3 | Very low | 34 Ų | 34 | 75.6 Ų | 75.6 | 15% | 0.149 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73.3 | -32.8 | 178.9 | -74.8 | -92.4 | 0 | 0 | 0 | 112.6 | A1409 L1421 T1457 I1458 A1459 E1463 K1464 I1465 | A1409-F1461 HydrophobicContact CB-CE1 3.42Å; A1409-F1461 VanDerWaalsContact CB-CE1 3.42Å; A1409-F1461 HydrophobicContact CB-CZ 3.47Å; A1409-F1461 VanDerWaalsContact CB-CZ 3.47Å; L1421-F1461 HydrophobicContact CD2-CD1 4Å; L1421-F1461 HydrophobicContact CD2-CE1 3.39Å; L1421-F1461 HydrophobicContact CD2-CZ 4.08Å; L1421-F1461 HydrophobicContact CG-CE1 4.04Å; T1457-F1461 VanDerWaalsContact O-CD2 3.28Å; T1457-F1461 WeakPolarHBondContact O-CD2 3.18Å; I1458-F1461 PolarHBondContact O-N 3.47Å; A1459-F1461 PolarHBondContact O-N 2.83Å; F1461-E1463 PolarHBondContact O-N 3.22Å; F1461-K1464 PolarHBondContact O-N 3.11Å; F1461-I1465 HydrophobicContact CB-CD1 3.9Å; F1461-I1465 HydrophobicContact CB-CG1 4.37Å; F1461-I1465 WeakPolarHBondContact O-CB 3.33Å; F1461-I1465 VanDerWaalsContact O-CG1 3.25Å; F1461-I1465 WeakPolarHBondContact O-CG1 3.35Å; F1461-I1465 PolarHBondContact O-N 3.11Å |
| 1462 | R | 50 | Low | 48.3 | Very low | 139 Ų | 139 | 76.4 Ų | 76.4 | 53% | 0.525 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -53.6 | -52.4 | -174.8 | -173.7 | -179.5 | 177.7 | -135.1 | -8.2 | 112.5 | I1458 A1459 K1464 E1505 | I1458-R1462 PolarHBondContact O-N 3.24Å; A1459-R1462 PolarHBondContact O-N 3.03Å; A1459-R1462 VanDerWaalsContact O-N 3.17Å; R1462-K1464 VanDerWaalsContact C-N 3.28Å; R1462-K1464 PolarHBondContact O-N 3.38Å; R1462-E1505 IonicContact CZ-OE2 2.98Å; R1462-E1505 IonicContact NE-OE2 2.69Å; R1462-E1505 IonicContact NH2-OE1 3.74Å; R1462-E1505 PolarHBondContact NH2-OE1 3.2Å; R1462-E1505 IonicContact NH2-OE2 3.99Å; R1462-E1505 PolarHBondContact NH2-OE2 3.23Å |
| 1463 | E | 48.7 | Very low | 48.5 | Very low | 127 Ų | 127 | 71.9 Ų | 71.9 | 59% | 0.593 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -71.3 | -23.6 | -174.5 | -149 | -153.5 | 128.5 | 0 | 0 | 113.1 | F1461 R1467 | F1461-E1463 PolarHBondContact O-N 3.22Å; E1463-R1467 IonicContact OE1-CZ 3.28Å; E1463-R1467 IonicContact OE1-NE 4Å; E1463-R1467 IonicContact OE1-NH2 2.86Å; E1463-R1467 PolarHBondContact OE1-NH2 3.25Å |
| 1464 | K | 47.8 | Very low | 48.7 | Very low | 68 Ų | 68 | 67.9 Ų | 67.9 | 30% | 0.296 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -102.5 | -22.4 | -175.4 | -147 | 162.7 | -173.2 | 166.6 | 0 | 114.2 | N1410 F1461 R1462 A1466 R1467 L1468 | N1410-K1464 HydrophobicContact CB-CD 4.45Å; N1410-K1464 VanDerWaalsContact O-CE 3.28Å; N1410-K1464 WeakPolarHBondContact O-CE 3.35Å; N1410-K1464 PolarHBondContact O-NZ 2.95Å; N1410-K1464 WeakPolarHBondContact OD1-CD 3.29Å; N1410-K1464 PolarHBondContact OD1-NZ 2.89Å; F1461-K1464 PolarHBondContact O-N 3.11Å; R1462-K1464 VanDerWaalsContact C-N 3.28Å; R1462-K1464 PolarHBondContact O-N 3.38Å; K1464-A1466 PolarHBondContact O-N 3.02Å; K1464-R1467 CarbonylContact O-C 3.6Å; K1464-R1467 PolarHBondContact O-N 2.92Å; K1464-L1468 WeakPolarHBondContact O-CB 3.24Å; K1464-L1468 WeakPolarHBondContact O-CG 3.21Å; K1464-L1468 PolarHBondContact O-N 2.69Å |
| 1465 | I | 50.1 | Low | 48.5 | Very low | 26 Ų | 26 | 68.9 Ų | 68.9 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59 | -42.1 | 163.2 | -69.9 | 168.8 | 0 | 0 | 0 | 109.3 | F1461 R1467 L1468 A1469 Y1474 F1478 F1506 | F1461-I1465 HydrophobicContact CB-CD1 3.9Å; F1461-I1465 HydrophobicContact CB-CG1 4.37Å; F1461-I1465 WeakPolarHBondContact O-CB 3.33Å; F1461-I1465 VanDerWaalsContact O-CG1 3.25Å; F1461-I1465 WeakPolarHBondContact O-CG1 3.35Å; F1461-I1465 PolarHBondContact O-N 3.11Å; I1465-R1467 PolarHBondContact O-N 3Å; I1465-R1467 VanDerWaalsContact O-N 3.1Å; I1465-L1468 CarbonylContact O-C 3.55Å; I1465-L1468 PolarHBondContact O-N 3.24Å; I1465-L1468 VanDerWaalsContact O-N 3.13Å; I1465-A1469 WeakPolarHBondContact O-CB 3.38Å; I1465-A1469 PolarHBondContact O-N 3.43Å; I1465-Y1474 HydrophobicContact CG2-CD2 4.36Å; I1465-Y1474 HydrophobicContact CG2-CE2 3.71Å; I1465-F1478 HydrophobicContact CD1-CD2 4.02Å; I1465-F1478 HydrophobicContact CD1-CE2 3.82Å; I1465-F1506 HydrophobicContact CB-CZ 4.41Å; I1465-F1506 HydrophobicContact CG2-CE2 3.61Å; I1465-F1506 HydrophobicContact CG2-CZ 3.68Å |
| 1466 | A | 48.3 | Very low | 48.6 | Very low | 32 Ų | 32 | 68.1 Ų | 68.1 | 26% | 0.264 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.2 | -19.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K1464 F1506 | K1464-A1466 PolarHBondContact O-N 3.02Å; A1466-F1506 HydrophobicContact CB-CE1 4.04Å; A1466-F1506 HydrophobicContact CB-CZ 4.45Å |
| 1467 | R | 44.8 | Very low | 48.7 | Very low | 165 Ų | 165 | 64.1 Ų | 64.1 | 62% | 0.623 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -96.7 | -31.2 | 174 | -56.6 | -178 | -167.2 | -156.9 | 6.6 | 112.7 | E1463 K1464 I1465 A1469 | E1463-R1467 IonicContact OE1-CZ 3.28Å; E1463-R1467 IonicContact OE1-NE 4Å; E1463-R1467 IonicContact OE1-NH2 2.86Å; E1463-R1467 PolarHBondContact OE1-NH2 3.25Å; K1464-R1467 CarbonylContact O-C 3.6Å; K1464-R1467 PolarHBondContact O-N 2.92Å; I1465-R1467 PolarHBondContact O-N 3Å; I1465-R1467 VanDerWaalsContact O-N 3.1Å; R1467-A1469 VanDerWaalsContact C-N 3.33Å |
| 1468 | L | 46.7 | Very low | 48.9 | Very low | 50 Ų | 50 | 64 Ų | 64 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -78.6 | -16.3 | 175 | -73.2 | 168.4 | 0 | 0 | 0 | 113.2 | K1464 I1465 F1470 S1471 | K1464-L1468 WeakPolarHBondContact O-CB 3.24Å; K1464-L1468 WeakPolarHBondContact O-CG 3.21Å; K1464-L1468 PolarHBondContact O-N 2.69Å; I1465-L1468 CarbonylContact O-C 3.55Å; I1465-L1468 PolarHBondContact O-N 3.24Å; I1465-L1468 VanDerWaalsContact O-N 3.13Å; L1468-F1470 PolarHBondContact O-N 2.97Å; L1468-F1470 VanDerWaalsContact O-N 3.13Å; L1468-S1471 WeakPolarHBondContact O-CB 3.27Å; L1468-S1471 PolarHBondContact O-N 3.02Å; L1468-S1471 PolarHBondContact O-OG 3.26Å |
| 1469 | A | 49.4 | Very low | 49 | Very low | 9 Ų | 9 | 62 Ų | 62 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -43.5 | -36.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I1465 R1467 S1471 F1544 | I1465-A1469 WeakPolarHBondContact O-CB 3.38Å; I1465-A1469 PolarHBondContact O-N 3.43Å; R1467-A1469 VanDerWaalsContact C-N 3.33Å; A1469-S1471 PolarHBondContact O-N 3.32Å; A1469-F1544 HydrophobicContact CB-CD1 4.05Å; A1469-F1544 HydrophobicContact CB-CD2 3.72Å; A1469-F1544 HydrophobicContact CB-CE1 3.69Å; A1469-F1544 HydrophobicContact CB-CE2 3.35Å; A1469-F1544 HydrophobicContact CB-CG 4.06Å; A1469-F1544 HydrophobicContact CB-CZ 3.33Å; A1469-F1544 WeakPolarHBondContact O-CD2 3.3Å |
| 1470 | F | 47.3 | Very low | 49.1 | Very low | 95 Ų | 95 | 63 Ų | 63 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 8.1 | 179 | -58.3 | -83.2 | 0 | 0 | 0 | 114 | L1468 L1537 T1540 L1541 | L1468-F1470 PolarHBondContact O-N 2.97Å; L1468-F1470 VanDerWaalsContact O-N 3.13Å; F1470-L1537 HydrophobicContact CE1-CD1 4.07Å; F1470-T1540 HydrophobicContact CD1-CG2 4.01Å; F1470-L1541 HydrophobicContact CE1-CD2 3.64Å; F1470-L1541 HydrophobicContact CE1-CG 4.13Å; F1470-L1541 HydrophobicContact CZ-CD2 3.62Å; F1470-L1541 HydrophobicContact CZ-CG 4.5Å |
| 1471 | S | 47.4 | Very low | 49.4 | Very low | 34 Ų | 34 | 62.3 Ų | 62.3 | 24% | 0.238 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -116.2 | 139.4 | 176.1 | 77.6 | 0 | 0 | 0 | 0 | 111.7 | L1468 A1469 S1473 Y1474 | L1468-S1471 WeakPolarHBondContact O-CB 3.27Å; L1468-S1471 PolarHBondContact O-N 3.02Å; L1468-S1471 PolarHBondContact O-OG 3.26Å; A1469-S1471 PolarHBondContact O-N 3.32Å; S1471-S1473 PolarHBondContact O-N 2.84Å; S1471-Y1474 PolarHBondContact O-N 2.79Å |
| 1472 | S | 44.5 | Very low | 49.8 | Very low | 126 Ų | 126 | 62.2 Ų | 62.2 | 88% | 0.881 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 14.4 | -178.1 | 52.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1473 | S | 46.9 | Very low | 50.1 | Low | 37 Ų | 37 | 59.3 Ų | 59.3 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -6.8 | 179.8 | -157.3 | 0 | 0 | 0 | 0 | 113.5 | V1418 S1471 S1477 | V1418-S1473 WeakPolarHBondContact CG2-OG 3.32Å; S1471-S1473 PolarHBondContact O-N 2.84Å; S1473-S1477 WeakPolarHBondContact O-CB 3.19Å; S1473-S1477 PolarHBondContact O-OG 2.84Å |
| 1474 | Y | 50.9 | Low | 50.3 | Low | 20 Ų | 20 | 58.8 Ų | 58.8 | 8% | 0.078 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.4 | -50.8 | -174.6 | 178.8 | -114.4 | 0 | 0 | 0 | 113.8 | I1465 S1471 N1476 S1477 F1478 L1503 F1544 M1551 | I1465-Y1474 HydrophobicContact CG2-CD2 4.36Å; I1465-Y1474 HydrophobicContact CG2-CE2 3.71Å; S1471-Y1474 PolarHBondContact O-N 2.79Å; Y1474-N1476 PolarHBondContact O-N 2.81Å; Y1474-S1477 PolarHBondContact O-N 2.77Å; Y1474-F1478 HydrophobicContact CD2-CB 4.17Å; Y1474-F1478 HydrophobicContact CE2-CB 3.73Å; Y1474-F1478 HydrophobicContact CE2-CD1 4.41Å; Y1474-F1478 HydrophobicContact CE2-CG 4Å; Y1474-F1478 PolarHBondContact O-N 2.77Å; Y1474-L1503 WeakPolarHBondContact OH-CD2 3.27Å; Y1474-F1544 AromaticContact CD1-CE2 3.86Å; Y1474-F1544 HydrophobicContact CD1-CE2 3.86Å; Y1474-F1544 AromaticContact CE1-CE2 3.84Å; Y1474-F1544 HydrophobicContact CE1-CE2 3.84Å; Y1474-F1544 HydrophobicContact CE1-CZ 4.49Å; Y1474-F1544 HydrophobicContact CG-CE2 4.39Å; Y1474-M1551 HydrophobicContact CD1-CE 4.21Å; Y1474-M1551 HydrophobicContact CE1-CE 3.87Å; Y1474-M1551 HydrophobicContact CE1-SD 4.4Å |
| 1475 | E | 47.8 | Very low | 50.5 | Low | 80 Ų | 80 | 55.9 Ų | 55.9 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -53.7 | -52.9 | -173.8 | -64.3 | 176.9 | 137.8 | 0 | 0 | 113 | S1477 R1547 | E1475-S1477 PolarHBondContact O-N 2.78Å; E1475-R1547 WeakPolarHBondContact OE1-CD 3.31Å; E1475-R1547 WeakPolarHBondContact OE1-CG 3.45Å; E1475-R1547 IonicContact OE1-CZ 3Å; E1475-R1547 VanDerWaalsContact OE1-CZ 3.28Å; E1475-R1547 IonicContact OE1-NE 3.96Å; E1475-R1547 PolarHBondContact OE1-NE 2.89Å; E1475-R1547 IonicContact OE1-NH1 2.91Å; E1475-R1547 PolarHBondContact OE1-NH1 3.2Å |
| 1476 | N | 50.8 | Low | 50.8 | Low | 116 Ų | 116 | 54.9 Ų | 54.9 | 62% | 0.62 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -68.2 | -18.2 | -178.4 | -79.3 | -55.2 | 0 | 0 | 0 | 113.8 | Y1474 I1480 | Y1474-N1476 PolarHBondContact O-N 2.81Å; N1476-I1480 WeakPolarHBondContact O-CB 3.49Å; N1476-I1480 WeakPolarHBondContact O-CD1 3.47Å; N1476-I1480 WeakPolarHBondContact O-CG1 3.49Å |
| 1477 | S | 49.1 | Very low | 51 | Low | 22 Ų | 22 | 61.2 Ų | 61.2 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -100.9 | -51.8 | -168.5 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | V1418 S1473 Y1474 E1475 L1481 | V1418-S1477 WeakPolarHBondContact CG2-OG 3.48Å; S1473-S1477 WeakPolarHBondContact O-CB 3.19Å; S1473-S1477 PolarHBondContact O-OG 2.84Å; Y1474-S1477 PolarHBondContact O-N 2.77Å; E1475-S1477 PolarHBondContact O-N 2.78Å; S1477-L1481 VanDerWaalsContact O-CB 3.24Å; S1477-L1481 WeakPolarHBondContact O-CB 3.33Å; S1477-L1481 PolarHBondContact O-N 3.22Å |
| 1478 | F | 55.5 | Low | 51.4 | Low | 27 Ų | 27 | 61 Ų | 61 | 12% | 0.118 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -79 | -44.4 | -176.5 | -166.1 | -98.8 | 0 | 0 | 0 | 112.1 | I1465 Y1474 L1481 W1482 V1499 L1503 M1551 | I1465-F1478 HydrophobicContact CD1-CD2 4.02Å; I1465-F1478 HydrophobicContact CD1-CE2 3.82Å; Y1474-F1478 HydrophobicContact CD2-CB 4.17Å; Y1474-F1478 HydrophobicContact CE2-CB 3.73Å; Y1474-F1478 HydrophobicContact CE2-CD1 4.41Å; Y1474-F1478 HydrophobicContact CE2-CG 4Å; Y1474-F1478 PolarHBondContact O-N 2.77Å; F1478-L1481 PolarHBondContact O-N 3.33Å; F1478-W1482 AromaticContact CE1-CD1 3.86Å; F1478-W1482 AromaticContact CE2-CD1 3.78Å; F1478-W1482 AromaticContact CE2-NE1 3.66Å; F1478-W1482 AromaticContact CZ-CD1 3.62Å; F1478-W1482 AromaticContact CZ-NE1 3.66Å; F1478-W1482 PolarHBondContact O-N 3.23Å; F1478-V1499 HydrophobicContact CE1-CG1 3.96Å; F1478-V1499 HydrophobicContact CZ-CG1 4.14Å; F1478-L1503 HydrophobicContact CE1-CD2 4.39Å; F1478-M1551 HydrophobicContact CB-SD 4.42Å; F1478-M1551 HydrophobicContact CD1-SD 3.74Å |
| 1479 | G | 53.9 | Low | 51.9 | Low | 17 Ų | 17 | 59.2 Ų | 59.2 | 18% | 0.175 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.8 | -50.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1481 W1482 Q1483 | G1479-L1481 VanDerWaalsContact C-N 3.26Å; G1479-L1481 PolarHBondContact O-N 2.67Å; G1479-W1482 PolarHBondContact O-N 3.25Å; G1479-Q1483 WeakPolarHBondContact O-CB 3.39Å; G1479-Q1483 PolarHBondContact O-N 3.11Å |
| 1480 | I | 51.9 | Low | 52.3 | Low | 63 Ų | 63 | 65 Ų | 65 | 32% | 0.323 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.3 | -28.1 | -178.9 | -56.9 | -172.8 | 0 | 0 | 0 | 112.2 | N1476 K1484 | N1476-I1480 WeakPolarHBondContact O-CB 3.49Å; N1476-I1480 WeakPolarHBondContact O-CD1 3.47Å; N1476-I1480 WeakPolarHBondContact O-CG1 3.49Å; I1480-K1484 HydrophobicContact CG2-CD 3.9Å; I1480-K1484 VanDerWaalsContact CG2-NZ 3.28Å; I1480-K1484 WeakPolarHBondContact O-CB 3.18Å; I1480-K1484 WeakPolarHBondContact O-CG 3.24Å |
| 1481 | L | 53.7 | Low | 52.9 | Low | 22 Ų | 22 | 64.9 Ų | 64.9 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.6 | -62.3 | 174.1 | 179.7 | 62.4 | 0 | 0 | 0 | 110.7 | L1421 Q1425 S1477 F1478 G1479 K1484 V1485 | L1421-L1481 HydrophobicContact CD2-CD2 4.29Å; Q1425-L1481 HydrophobicContact CB-CD1 3.69Å; Q1425-L1481 HydrophobicContact CG-CD1 3.88Å; S1477-L1481 VanDerWaalsContact O-CB 3.24Å; S1477-L1481 WeakPolarHBondContact O-CB 3.33Å; S1477-L1481 PolarHBondContact O-N 3.22Å; F1478-L1481 PolarHBondContact O-N 3.33Å; G1479-L1481 VanDerWaalsContact C-N 3.26Å; G1479-L1481 PolarHBondContact O-N 2.67Å; L1481-K1484 PolarHBondContact O-N 3.11Å; L1481-V1485 HydrophobicContact CD1-CG2 4.14Å; L1481-V1485 WeakPolarHBondContact O-CB 3.33Å; L1481-V1485 VanDerWaalsContact O-CG2 3.24Å; L1481-V1485 WeakPolarHBondContact O-CG2 3.4Å; L1481-V1485 PolarHBondContact O-N 3.37Å |
| 1482 | W | 59.8 | Low | 53.4 | Low | 31 Ų | 31 | 64.4 Ų | 64.4 | 12% | 0.117 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.4 | -40.7 | -172.6 | -81.4 | 107.8 | 0 | 0 | 0 | 113.7 | I1458 F1478 G1479 K1484 V1485 A1486 A1495 V1499 F1555 | I1458-W1482 HydrophobicContact CD1-CZ2 4.5Å; F1478-W1482 AromaticContact CE1-CD1 3.86Å; F1478-W1482 AromaticContact CE2-CD1 3.78Å; F1478-W1482 AromaticContact CE2-NE1 3.66Å; F1478-W1482 AromaticContact CZ-CD1 3.62Å; F1478-W1482 AromaticContact CZ-NE1 3.66Å; F1478-W1482 PolarHBondContact O-N 3.23Å; G1479-W1482 PolarHBondContact O-N 3.25Å; W1482-K1484 PolarHBondContact O-N 3.49Å; W1482-V1485 PolarHBondContact O-N 3.44Å; W1482-A1486 WeakPolarHBondContact O-CB 3.47Å; W1482-A1486 PolarHBondContact O-N 2.88Å; W1482-A1495 HydrophobicContact CH2-CB 4.03Å; W1482-A1495 HydrophobicContact CZ3-CB 4.45Å; W1482-V1499 HydrophobicContact CD2-CG2 3.88Å; W1482-V1499 HydrophobicContact CE3-CG2 4.18Å; W1482-V1499 HydrophobicContact CG-CG1 4.42Å; W1482-V1499 HydrophobicContact CG-CG2 4.41Å; W1482-V1499 HydrophobicContact CH2-CG2 4.17Å; W1482-V1499 HydrophobicContact CZ2-CG2 3.86Å; W1482-V1499 HydrophobicContact CZ3-CG2 4.32Å; W1482-F1555 HydrophobicContact CB-CE2 4.04Å; W1482-F1555 HydrophobicContact CB-CZ 4.13Å |
| 1483 | Q | 55.9 | Low | 54.5 | Low | 78 Ų | 78 | 61.7 Ų | 61.7 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.8 | -29.4 | 178.5 | -165.7 | -175.9 | 25.6 | 0 | 0 | 112.6 | G1479 R1487 E1558 | G1479-Q1483 WeakPolarHBondContact O-CB 3.39Å; G1479-Q1483 PolarHBondContact O-N 3.11Å; Q1483-R1487 WeakPolarHBondContact O-CD 3.48Å; Q1483-E1558 WeakPolarHBondContact CG-OE2 3.38Å; Q1483-E1558 PolarHBondContact NE2-OE1 2.7Å |
| 1484 | K | 52.8 | Low | 55.4 | Low | 117 Ų | 117 | 63.7 Ų | 63.7 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -90.5 | -35.1 | 177 | -70.7 | 178.5 | -179.2 | 167.5 | 0 | 113.8 | I1480 L1481 W1482 | I1480-K1484 HydrophobicContact CG2-CD 3.9Å; I1480-K1484 VanDerWaalsContact CG2-NZ 3.28Å; I1480-K1484 WeakPolarHBondContact O-CB 3.18Å; I1480-K1484 WeakPolarHBondContact O-CG 3.24Å; L1481-K1484 PolarHBondContact O-N 3.11Å; W1482-K1484 PolarHBondContact O-N 3.49Å |
| 1485 | V | 53.7 | Low | 56 | Low | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73.5 | -50 | -178.4 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | L1481 W1482 R1487 K1488 V1489 L1492 | L1481-V1485 HydrophobicContact CD1-CG2 4.14Å; L1481-V1485 WeakPolarHBondContact O-CB 3.33Å; L1481-V1485 VanDerWaalsContact O-CG2 3.24Å; L1481-V1485 WeakPolarHBondContact O-CG2 3.4Å; L1481-V1485 PolarHBondContact O-N 3.37Å; W1482-V1485 PolarHBondContact O-N 3.44Å; V1485-R1487 VanDerWaalsContact C-N 3.26Å; V1485-R1487 PolarHBondContact O-N 3.31Å; V1485-K1488 PolarHBondContact O-N 3.22Å; V1485-V1489 HydrophobicContact CG1-CB 4.23Å; V1485-V1489 HydrophobicContact CG1-CG2 4.21Å; V1485-V1489 WeakPolarHBondContact O-CB 3.34Å; V1485-V1489 PolarHBondContact O-N 2.96Å; V1485-L1492 HydrophobicContact CG1-CD1 3.39Å |
| 1486 | A | 55.4 | Low | 57.2 | Low | 4 Ų | 4 | 59.1 Ų | 59.1 | 3% | 0.033 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -32.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | W1482 L1496 | W1482-A1486 WeakPolarHBondContact O-CB 3.47Å; W1482-A1486 PolarHBondContact O-N 2.88Å; A1486-L1496 HydrophobicContact CB-CD2 3.96Å |
| 1487 | R | 53.7 | Low | 58.5 | Low | 165 Ų | 165 | 54.9 Ų | 54.9 | 62% | 0.623 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -19 | 177.2 | -72.8 | -178.3 | 175.6 | -134.9 | 17.5 | 114.6 | Q1483 V1485 E1558 | Q1483-R1487 WeakPolarHBondContact O-CD 3.48Å; V1485-R1487 VanDerWaalsContact C-N 3.26Å; V1485-R1487 PolarHBondContact O-N 3.31Å; R1487-E1558 IonicContact CZ-OE1 3.58Å; R1487-E1558 IonicContact CZ-OE2 3.86Å; R1487-E1558 IonicContact NE-OE2 3.67Å; R1487-E1558 PolarHBondContact NE-OE2 3.44Å; R1487-E1558 IonicContact NH2-OE1 3.56Å; R1487-E1558 PolarHBondContact NH2-OE1 3.39Å; R1487-E1558 IonicContact NH2-OE2 2.64Å; R1487-E1558 PolarHBondContact NH2-OE2 3.03Å |
| 1488 | K | 52.7 | Low | 59.3 | Low | 160 Ų | 160 | 59 Ų | 59 | 70% | 0.696 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | -16.3 | -171.9 | -74.5 | -169 | 175.2 | -172.9 | 0 | 115 | V1485 | V1485-K1488 PolarHBondContact O-N 3.22Š|
| 1489 | V | 56.5 | Low | 60.1 | Low | 13 Ų | 13 | 58.2 Ų | 58.2 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | trans | -127.5 | 84.1 | -166.4 | -170.3 | 0 | 0 | 0 | 0 | 109.4 | V1485 Y1491 L1492 | V1485-V1489 HydrophobicContact CG1-CB 4.23Å; V1485-V1489 HydrophobicContact CG1-CG2 4.21Å; V1485-V1489 WeakPolarHBondContact O-CB 3.34Å; V1485-V1489 PolarHBondContact O-N 2.96Å; V1489-Y1491 VanDerWaalsContact C-N 3.26Å; V1489-Y1491 HydrophobicContact CG1-CD1 3.74Å; V1489-Y1491 HydrophobicContact CG1-CD2 4.21Å; V1489-Y1491 HydrophobicContact CG1-CE1 3.25Å; V1489-Y1491 HydrophobicContact CG1-CE2 3.77Å; V1489-Y1491 HydrophobicContact CG1-CG 4.18Å; V1489-Y1491 WeakPolarHBondContact CG1-OH 3.41Å; V1489-Y1491 PolarHBondContact O-N 2.96Å; V1489-L1492 HydrophobicContact CB-CD1 4.2Å; V1489-L1492 HydrophobicContact CG1-CB 4.43Å; V1489-L1492 HydrophobicContact CG1-CD1 3.72Å; V1489-L1492 HydrophobicContact CG1-CG 3.91Å; V1489-L1492 PolarHBondContact O-N 3.44Å | ||
| 1490 | E | 57.8 | Low | 61.4 | Low | 130 Ų | 130 | 57.4 Ų | 57.4 | 61% | 0.607 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -58.9 | -33.4 | -169.7 | -62.7 | -161.2 | 111.4 | 0 | 0 | 113.9 | L1492 R1493 | E1490-L1492 PolarHBondContact O-N 3.12Å; E1490-R1493 PolarHBondContact O-N 3.17Å; E1490-R1493 VanDerWaalsContact O-N 3.12Å; E1490-R1493 IonicContact OE1-CZ 2.74Å; E1490-R1493 IonicContact OE1-NH1 3.8Å; E1490-R1493 PolarHBondContact OE1-NH1 3.49Å; E1490-R1493 IonicContact OE1-NH2 2.64Å; E1490-R1493 PolarHBondContact OE1-NH2 3.5Å |
| 1491 | Y | 59.9 | Low | 62.7 | Low | 94 Ų | 94 | 57.6 Ų | 57.6 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -68.1 | -3.1 | 178.6 | 68 | -101.2 | 0 | 0 | 0 | 114.4 | L1434 V1489 | L1434-Y1491 VanDerWaalsContact CD1-OH 3.25Å; L1434-Y1491 WeakPolarHBondContact CD1-OH 3.42Å; V1489-Y1491 VanDerWaalsContact C-N 3.26Å; V1489-Y1491 HydrophobicContact CG1-CD1 3.74Å; V1489-Y1491 HydrophobicContact CG1-CD2 4.21Å; V1489-Y1491 HydrophobicContact CG1-CE1 3.25Å; V1489-Y1491 HydrophobicContact CG1-CE2 3.77Å; V1489-Y1491 HydrophobicContact CG1-CG 4.18Å; V1489-Y1491 WeakPolarHBondContact CG1-OH 3.41Å; V1489-Y1491 PolarHBondContact O-N 2.96Å |
| 1492 | L | 57.3 | Low | 63.5 | Low | 23 Ų | 23 | 57.7 Ų | 57.7 | 12% | 0.12 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -105.6 | -2.9 | 174.3 | -65.2 | 176.5 | 0 | 0 | 0 | 113.9 | L1428 V1485 V1489 E1490 P1494 A1495 | L1428-L1492 HydrophobicContact CD1-CD1 4.45Å; V1485-L1492 HydrophobicContact CG1-CD1 3.39Å; V1489-L1492 HydrophobicContact CB-CD1 4.2Å; V1489-L1492 HydrophobicContact CG1-CB 4.43Å; V1489-L1492 HydrophobicContact CG1-CD1 3.72Å; V1489-L1492 HydrophobicContact CG1-CG 3.91Å; V1489-L1492 PolarHBondContact O-N 3.44Å; E1490-L1492 PolarHBondContact O-N 3.12Å; L1492-P1494 VanDerWaalsContact C-CD 3.44Å; L1492-P1494 VanDerWaalsContact C-N 3.34Å; L1492-A1495 PolarHBondContact O-N 3.21Å; L1492-A1495 VanDerWaalsContact O-N 3.17Å |
| 1493 | R | 67.6 | Low | 64.3 | Low | 69 Ų | 69 | 56.3 Ų | 56.3 | 26% | 0.26 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -57.1 | -36.6 | 173.4 | -66.6 | -169.2 | -173.6 | 117.5 | 5.3 | 114.1 | E1490 A1495 L1496 E1564 | E1490-R1493 PolarHBondContact O-N 3.17Å; E1490-R1493 VanDerWaalsContact O-N 3.12Å; E1490-R1493 IonicContact OE1-CZ 2.74Å; E1490-R1493 IonicContact OE1-NH1 3.8Å; E1490-R1493 PolarHBondContact OE1-NH1 3.49Å; E1490-R1493 IonicContact OE1-NH2 2.64Å; E1490-R1493 PolarHBondContact OE1-NH2 3.5Å; R1493-A1495 PolarHBondContact O-N 3.49Å; R1493-L1496 HydrophobicContact CB-CD1 4.18Å; R1493-L1496 HydrophobicContact CG-CD1 4.42Å; R1493-L1496 WeakPolarHBondContact O-CB 3.28Å; R1493-L1496 WeakPolarHBondContact O-CD1 3.38Å; R1493-L1496 WeakPolarHBondContact O-CG 3.34Å; R1493-L1496 PolarHBondContact O-N 3.39Å; R1493-E1564 HydrophobicContact CB-CG 4.32Å; R1493-E1564 WeakPolarHBondContact CB-OE1 3.42Å; R1493-E1564 VanDerWaalsContact CD-OE1 3.31Å; R1493-E1564 WeakPolarHBondContact CD-OE1 3.47Å |
| 1494 | P | 66.6 | Low | 65.6 | Low | 80 Ų | 80 | 53.1 Ų | 53.1 | 52% | 0.519 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -60.6 | -15.4 | 177.1 | -27.2 | 37 | 0 | 0 | 0 | 115.3 | L1492 | L1492-P1494 VanDerWaalsContact C-CD 3.44Å; L1492-P1494 VanDerWaalsContact C-N 3.34Å |
| 1495 | A | 63.8 | Low | 66.8 | Low | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -84.3 | -9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1458 W1482 L1492 R1493 L1498 V1499 | I1458-A1495 HydrophobicContact CD1-CB 4.32Å; W1482-A1495 HydrophobicContact CH2-CB 4.03Å; W1482-A1495 HydrophobicContact CZ3-CB 4.45Å; L1492-A1495 PolarHBondContact O-N 3.21Å; L1492-A1495 VanDerWaalsContact O-N 3.17Å; R1493-A1495 PolarHBondContact O-N 3.49Å; A1495-L1498 PolarHBondContact O-N 2.95Å; A1495-V1499 PolarHBondContact O-N 2.81Å |
| 1496 | L | 72.5 | Confident | 67.9 | Low | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.3 | -41.3 | -175.3 | -70.3 | 170.4 | 0 | 0 | 0 | 114.4 | A1486 R1493 L1498 V1499 F1500 F1555 F1562 V1565 | A1486-L1496 HydrophobicContact CB-CD2 3.96Å; R1493-L1496 HydrophobicContact CB-CD1 4.18Å; R1493-L1496 HydrophobicContact CG-CD1 4.42Å; R1493-L1496 WeakPolarHBondContact O-CB 3.28Å; R1493-L1496 WeakPolarHBondContact O-CD1 3.38Å; R1493-L1496 WeakPolarHBondContact O-CG 3.34Å; R1493-L1496 PolarHBondContact O-N 3.39Å; L1496-L1498 VanDerWaalsContact C-N 3.34Å; L1496-L1498 PolarHBondContact O-N 3.33Å; L1496-V1499 WeakPolarHBondContact O-CB 3.48Å; L1496-V1499 PolarHBondContact O-N 3.47Å; L1496-V1499 VanDerWaalsContact O-N 3.13Å; L1496-F1500 WeakPolarHBondContact O-CD2 3.43Å; L1496-F1500 PolarHBondContact O-N 2.91Å; L1496-F1555 HydrophobicContact CD2-CE1 3.75Å; L1496-F1555 HydrophobicContact CD2-CE2 4.49Å; L1496-F1555 HydrophobicContact CD2-CZ 3.41Å; L1496-F1555 VanDerWaalsContact CD2-CZ 3.41Å; L1496-F1562 HydrophobicContact CD1-CD2 3.73Å; L1496-F1562 HydrophobicContact CD1-CE2 4.33Å; L1496-V1565 HydrophobicContact CB-CG2 4.09Å; L1496-V1565 HydrophobicContact CD1-CG2 4.06Å |
| 1497 | P | 77.4 | Confident | 69.2 | Low | 26 Ų | 26 | 51 Ų | 51 | 17% | 0.169 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.5 | -41.2 | 177.3 | -28.6 | 38.2 | 0 | 0 | 0 | 113.7 | V1499 F1500 D1501 E1564 A1568 | P1497-V1499 VanDerWaalsContact C-N 3.28Å; P1497-V1499 PolarHBondContact O-N 2.99Å; P1497-F1500 PolarHBondContact O-N 2.96Å; P1497-D1501 PolarHBondContact O-N 3.49Å; P1497-E1564 WeakPolarHBondContact CG-O 3.18Å; P1497-A1568 HydrophobicContact CB-CB 3.94Å; P1497-A1568 HydrophobicContact CG-CB 3.8Å |
| 1498 | L | 67.9 | Low | 70.5 | Confident | 110 Ų | 110 | 44.2 Ų | 44.2 | 58% | 0.576 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -64.2 | -32 | 177.7 | -77.6 | 113.7 | 0 | 0 | 0 | 112.6 | A1495 L1496 V1502 | A1495-L1498 PolarHBondContact O-N 2.95Å; L1496-L1498 VanDerWaalsContact C-N 3.34Å; L1496-L1498 PolarHBondContact O-N 3.33Å; L1498-V1502 WeakPolarHBondContact O-CG2 3.38Å; L1498-V1502 PolarHBondContact O-N 3.49Å; L1498-V1502 VanDerWaalsContact O-N 3.17Å |
| 1499 | V | 71.4 | Confident | 71.5 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.1 | -41.1 | 175.8 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | F1478 W1482 A1495 L1496 P1497 L1503 F1555 | F1478-V1499 HydrophobicContact CE1-CG1 3.96Å; F1478-V1499 HydrophobicContact CZ-CG1 4.14Å; W1482-V1499 HydrophobicContact CD2-CG2 3.88Å; W1482-V1499 HydrophobicContact CE3-CG2 4.18Å; W1482-V1499 HydrophobicContact CG-CG1 4.42Å; W1482-V1499 HydrophobicContact CG-CG2 4.41Å; W1482-V1499 HydrophobicContact CH2-CG2 4.17Å; W1482-V1499 HydrophobicContact CZ2-CG2 3.86Å; W1482-V1499 HydrophobicContact CZ3-CG2 4.32Å; A1495-V1499 PolarHBondContact O-N 2.81Å; L1496-V1499 WeakPolarHBondContact O-CB 3.48Å; L1496-V1499 PolarHBondContact O-N 3.47Å; L1496-V1499 VanDerWaalsContact O-N 3.13Å; P1497-V1499 VanDerWaalsContact C-N 3.28Å; P1497-V1499 PolarHBondContact O-N 2.99Å; V1499-L1503 HydrophobicContact CG1-CD1 4.31Å; V1499-L1503 WeakPolarHBondContact O-CG 3.47Å; V1499-L1503 PolarHBondContact O-N 2.83Å; V1499-F1555 HydrophobicContact CB-CE1 4.07Å; V1499-F1555 HydrophobicContact CG1-CD1 4.2Å; V1499-F1555 HydrophobicContact CG1-CE1 3.66Å; V1499-F1555 HydrophobicContact CG1-CZ 4.21Å |
| 1500 | F | 81.2 | Confident | 72.1 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.5 | -44.7 | 175 | -79 | -69.5 | 0 | 0 | 0 | 112.7 | L1496 P1497 V1502 L1503 L1504 F1555 T1559 V1565 I1570 | L1496-F1500 WeakPolarHBondContact O-CD2 3.43Å; L1496-F1500 PolarHBondContact O-N 2.91Å; P1497-F1500 PolarHBondContact O-N 2.96Å; F1500-V1502 VanDerWaalsContact C-N 3.3Å; F1500-V1502 PolarHBondContact O-N 3.34Å; F1500-L1503 PolarHBondContact O-N 2.95Å; F1500-L1503 VanDerWaalsContact O-N 3.16Å; F1500-L1504 WeakPolarHBondContact O-CG 3.43Å; F1500-L1504 PolarHBondContact O-N 2.75Å; F1500-F1555 HydrophobicContact CD1-CD1 4.31Å; F1500-F1555 HydrophobicContact CD2-CD1 4.33Å; F1500-F1555 HydrophobicContact CD2-CE1 4.43Å; F1500-F1555 HydrophobicContact CE1-CB 4.21Å; F1500-F1555 AromaticContact CE1-CD1 3.73Å; F1500-F1555 HydrophobicContact CE1-CD1 3.73Å; F1500-F1555 HydrophobicContact CE1-CG 4.4Å; F1500-F1555 AromaticContact CE2-CD1 3.75Å; F1500-F1555 HydrophobicContact CE2-CD1 3.75Å; F1500-F1555 AromaticContact CE2-CE1 3.97Å; F1500-F1555 HydrophobicContact CE2-CE1 3.97Å; F1500-F1555 HydrophobicContact CZ-CB 4.33Å; F1500-F1555 AromaticContact CZ-CD1 3.41Å; F1500-F1555 HydrophobicContact CZ-CD1 3.41Å; F1500-F1555 VanDerWaalsContact CZ-CD1 3.41Å; F1500-F1555 HydrophobicContact CZ-CE1 4.1Å; F1500-F1555 HydrophobicContact CZ-CG 4.16Å; F1500-T1559 WeakPolarHBondContact CZ-OG1 3.28Å; F1500-V1565 HydrophobicContact CE2-CG1 3.88Å; F1500-V1565 HydrophobicContact CE2-CG2 3.97Å; F1500-V1565 HydrophobicContact CZ-CG1 4.37Å; F1500-I1570 HydrophobicContact CB-CD1 3.78Å; F1500-I1570 HydrophobicContact CB-CG1 4.4Å; F1500-I1570 HydrophobicContact CB-CG2 4.07Å; F1500-I1570 HydrophobicContact CD1-CG2 3.64Å; F1500-I1570 HydrophobicContact CD2-CD1 4.26Å; F1500-I1570 HydrophobicContact CD2-CG1 4.05Å; F1500-I1570 HydrophobicContact CD2-CG2 3.87Å; F1500-I1570 HydrophobicContact CE1-CG2 3.98Å; F1500-I1570 HydrophobicContact CE2-CG2 4.19Å; F1500-I1570 HydrophobicContact CG-CD1 4.21Å; F1500-I1570 HydrophobicContact CG-CG1 4.3Å; F1500-I1570 HydrophobicContact CG-CG2 3.58Å; F1500-I1570 HydrophobicContact CZ-CG2 4.23Å |
| 1501 | D | 78.4 | Confident | 72.7 | Confident | 66 Ų | 66 | 34.7 Ų | 34.7 | 35% | 0.353 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63 | -35.9 | -179.4 | -73.4 | -30.1 | 0 | 0 | 0 | 112.1 | P1497 L1504 E1505 K1573 | P1497-D1501 PolarHBondContact O-N 3.49Å; D1501-L1504 PolarHBondContact O-N 2.89Å; D1501-E1505 WeakPolarHBondContact O-CB 3.44Å; D1501-E1505 PolarHBondContact O-N 3.07Å; D1501-K1573 VanDerWaalsContact CG-NZ 3.28Å; D1501-K1573 WeakPolarHBondContact OD1-CD 3.44Å; D1501-K1573 IonicContact OD1-NZ 3.88Å; D1501-K1573 PolarHBondContact OD1-NZ 2.88Å; D1501-K1573 IonicContact OD2-NZ 2.9Å; D1501-K1573 PolarHBondContact OD2-NZ 3.2Å |
| 1502 | V | 71.8 | Confident | 73.3 | Confident | 25 Ų | 25 | 36.1 Ų | 36.1 | 15% | 0.152 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68 | -40.5 | 172.9 | 169.1 | 0 | 0 | 0 | 0 | 112.4 | L1498 F1500 L1504 E1505 F1506 | L1498-V1502 WeakPolarHBondContact O-CG2 3.38Å; L1498-V1502 PolarHBondContact O-N 3.49Å; L1498-V1502 VanDerWaalsContact O-N 3.17Å; F1500-V1502 VanDerWaalsContact C-N 3.3Å; F1500-V1502 PolarHBondContact O-N 3.34Å; V1502-L1504 VanDerWaalsContact C-N 3.33Å; V1502-E1505 PolarHBondContact O-N 3.13Å; V1502-F1506 HydrophobicContact CG1-CD2 4.08Å; V1502-F1506 HydrophobicContact CG1-CE1 4.18Å; V1502-F1506 HydrophobicContact CG1-CE2 3.45Å; V1502-F1506 VanDerWaalsContact CG1-CE2 3.45Å; V1502-F1506 HydrophobicContact CG1-CZ 3.51Å; V1502-F1506 WeakPolarHBondContact O-CD2 3.36Å; V1502-F1506 VanDerWaalsContact O-CG 3.28Å; V1502-F1506 WeakPolarHBondContact O-CG 2.99Å; V1502-F1506 PolarHBondContact O-N 3.18Å; V1502-F1506 VanDerWaalsContact O-N 3.09Å |
| 1503 | L | 76.5 | Confident | 73.5 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.4 | -32.5 | 177 | -71.6 | 171.2 | 0 | 0 | 0 | 112.5 | Y1474 F1478 V1499 F1500 F1507 M1551 L1552 | Y1474-L1503 WeakPolarHBondContact OH-CD2 3.27Å; F1478-L1503 HydrophobicContact CE1-CD2 4.39Å; V1499-L1503 HydrophobicContact CG1-CD1 4.31Å; V1499-L1503 WeakPolarHBondContact O-CG 3.47Å; V1499-L1503 PolarHBondContact O-N 2.83Å; F1500-L1503 PolarHBondContact O-N 2.95Å; F1500-L1503 VanDerWaalsContact O-N 3.16Å; L1503-F1507 PolarHBondContact O-N 3Å; L1503-F1507 VanDerWaalsContact O-N 3.09Å; L1503-M1551 HydrophobicContact CD2-CB 4.45Å; L1503-M1551 HydrophobicContact CD2-CG 4.46Å; L1503-M1551 HydrophobicContact CD2-SD 4.14Å; L1503-L1552 HydrophobicContact CB-CB 4.16Å; L1503-L1552 HydrophobicContact CB-CD1 4.02Å; L1503-L1552 HydrophobicContact CD1-CB 4.37Å |
| 1504 | L | 83.4 | Confident | 73 | Confident | 11 Ų | 11 | 36.9 Ų | 36.9 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.4 | -44.7 | 171.5 | -72.9 | 166.1 | 0 | 0 | 0 | 111.8 | F1500 D1501 V1502 F1506 F1507 E1508 L1552 K1573 I1574 R1577 | F1500-L1504 WeakPolarHBondContact O-CG 3.43Å; F1500-L1504 PolarHBondContact O-N 2.75Å; D1501-L1504 PolarHBondContact O-N 2.89Å; V1502-L1504 VanDerWaalsContact C-N 3.33Å; L1504-F1506 VanDerWaalsContact C-N 3.26Å; L1504-F1506 PolarHBondContact O-N 3.1Å; L1504-F1507 PolarHBondContact O-N 3.23Å; L1504-F1507 VanDerWaalsContact O-N 3.15Å; L1504-E1508 PolarHBondContact O-N 3.13Å; L1504-E1508 VanDerWaalsContact O-N 3.09Å; L1504-L1552 HydrophobicContact CD2-CD1 3.62Å; L1504-L1552 HydrophobicContact CG-CD1 3.68Å; L1504-K1573 HydrophobicContact CD1-CB 3.71Å; L1504-K1573 HydrophobicContact CD1-CD 4.11Å; L1504-I1574 HydrophobicContact CD2-CG1 4.17Å; L1504-R1577 HydrophobicContact CD2-CG 4.5Å |
| 1505 | E | 77.5 | Confident | 72.2 | Confident | 77 Ų | 77 | 41.1 Ų | 41.1 | 36% | 0.36 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.8 | -40.2 | 175 | -175 | 171.9 | -158.5 | 0 | 0 | 111.2 | R1462 D1501 V1502 F1509 | R1462-E1505 IonicContact CZ-OE2 2.98Å; R1462-E1505 IonicContact NE-OE2 2.69Å; R1462-E1505 IonicContact NH2-OE1 3.74Å; R1462-E1505 PolarHBondContact NH2-OE1 3.2Å; R1462-E1505 IonicContact NH2-OE2 3.99Å; R1462-E1505 PolarHBondContact NH2-OE2 3.23Å; D1501-E1505 WeakPolarHBondContact O-CB 3.44Å; D1501-E1505 PolarHBondContact O-N 3.07Å; V1502-E1505 PolarHBondContact O-N 3.13Å; E1505-F1509 HydrophobicContact CG-CE1 4.43Å; E1505-F1509 HydrophobicContact CG-CZ 4.48Å; E1505-F1509 WeakPolarHBondContact O-CD1 3.33Å; E1505-F1509 WeakPolarHBondContact O-CE1 3.34Å |
| 1506 | F | 76.2 | Confident | 71.2 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.6 | -31.1 | 176.6 | -65.7 | -14.6 | 0 | 0 | 0 | 114.4 | I1465 A1466 V1502 L1504 F1509 F1544 | I1465-F1506 HydrophobicContact CB-CZ 4.41Å; I1465-F1506 HydrophobicContact CG2-CE2 3.61Å; I1465-F1506 HydrophobicContact CG2-CZ 3.68Å; A1466-F1506 HydrophobicContact CB-CE1 4.04Å; A1466-F1506 HydrophobicContact CB-CZ 4.45Å; V1502-F1506 HydrophobicContact CG1-CD2 4.08Å; V1502-F1506 HydrophobicContact CG1-CE1 4.18Å; V1502-F1506 HydrophobicContact CG1-CE2 3.45Å; V1502-F1506 VanDerWaalsContact CG1-CE2 3.45Å; V1502-F1506 HydrophobicContact CG1-CZ 3.51Å; V1502-F1506 WeakPolarHBondContact O-CD2 3.36Å; V1502-F1506 VanDerWaalsContact O-CG 3.28Å; V1502-F1506 WeakPolarHBondContact O-CG 2.99Å; V1502-F1506 PolarHBondContact O-N 3.18Å; V1502-F1506 VanDerWaalsContact O-N 3.09Å; L1504-F1506 VanDerWaalsContact C-N 3.26Å; L1504-F1506 PolarHBondContact O-N 3.1Å; F1506-F1509 HydrophobicContact CD1-CD2 4.5Å; F1506-F1509 AromaticContact CD1-CE2 3.76Å; F1506-F1509 HydrophobicContact CD1-CE2 3.76Å; F1506-F1509 HydrophobicContact CD1-CZ 4.13Å; F1506-F1509 HydrophobicContact CE1-CE2 4.4Å; F1506-F1544 HydrophobicContact CB-CE1 3.6Å; F1506-F1544 HydrophobicContact CB-CZ 3.8Å; F1506-F1544 HydrophobicContact CD1-CE1 4.18Å; F1506-F1544 HydrophobicContact CD1-CZ 4.28Å; F1506-F1544 HydrophobicContact CD2-CE1 4.23Å; F1506-F1544 AromaticContact CD2-CZ 3.63Å; F1506-F1544 HydrophobicContact CD2-CZ 3.63Å; F1506-F1544 HydrophobicContact CE2-CZ 4.25Å; F1506-F1544 AromaticContact CG-CE1 3.75Å; F1506-F1544 HydrophobicContact CG-CE1 3.75Å; F1506-F1544 AromaticContact CG-CZ 3.64Å; F1506-F1544 HydrophobicContact CG-CZ 3.64Å |
| 1507 | F | 83 | Confident | 69.8 | Low | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.2 | -36.5 | 173.9 | 166.5 | -118.3 | 0 | 0 | 0 | 112.3 | L1503 L1504 F1509 A1510 Y1511 L1549 R1577 L1578 P1581 M1593 | L1503-F1507 PolarHBondContact O-N 3Å; L1503-F1507 VanDerWaalsContact O-N 3.09Å; L1504-F1507 PolarHBondContact O-N 3.23Å; L1504-F1507 VanDerWaalsContact O-N 3.15Å; F1507-F1509 PolarHBondContact O-N 2.83Å; F1507-F1509 VanDerWaalsContact O-N 3.14Å; F1507-A1510 PolarHBondContact O-N 3.13Å; F1507-Y1511 HydrophobicContact CE1-CE1 4.17Å; F1507-Y1511 HydrophobicContact CZ-CE1 4.23Å; F1507-L1549 HydrophobicContact CD2-CB 3.88Å; F1507-L1549 HydrophobicContact CD2-CD1 4.12Å; F1507-L1549 HydrophobicContact CD2-CD2 4.3Å; F1507-L1549 HydrophobicContact CD2-CG 4.32Å; F1507-L1549 HydrophobicContact CE2-CB 4.29Å; F1507-L1549 HydrophobicContact CE2-CD1 4.07Å; F1507-L1549 HydrophobicContact CE2-CD2 3.84Å; F1507-L1549 HydrophobicContact CE2-CG 4.29Å; F1507-L1549 HydrophobicContact CG-CD1 4.45Å; F1507-L1549 HydrophobicContact CZ-CD1 4.34Å; F1507-R1577 HydrophobicContact CD1-CB 4.24Å; F1507-R1577 HydrophobicContact CE1-CB 4.02Å; F1507-L1578 HydrophobicContact CE1-CD2 4.45Å; F1507-L1578 HydrophobicContact CZ-CD2 3.96Å; F1507-P1581 HydrophobicContact CZ-CG 3.84Å; F1507-M1593 HydrophobicContact CD2-CE 3.69Å; F1507-M1593 HydrophobicContact CE2-CE 3.6Å; F1507-M1593 HydrophobicContact CE2-SD 4.13Å |
| 1508 | E | 80.8 | Confident | 68 | Low | 22 Ų | 22 | 53.3 Ų | 53.3 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.2 | -28.9 | 176.4 | -82.7 | -176 | -142.7 | 0 | 0 | 113.4 | L1504 A1510 Y1511 K1512 R1577 | L1504-E1508 PolarHBondContact O-N 3.13Å; L1504-E1508 VanDerWaalsContact O-N 3.09Å; E1508-A1510 PolarHBondContact O-N 3.17Å; E1508-Y1511 HydrophobicContact CG-CE2 4.22Å; E1508-Y1511 PolarHBondContact O-N 3.07Å; E1508-K1512 PolarHBondContact O-N 3.37Å; E1508-K1512 WeakPolarHBondContact OE2-CD 3.39Å; E1508-K1512 IonicContact OE2-NZ 2.78Å; E1508-K1512 PolarHBondContact OE2-NZ 3.44Å; E1508-R1577 IonicContact OE1-CZ 2.64Å; E1508-R1577 IonicContact OE1-NH1 3.11Å; E1508-R1577 PolarHBondContact OE1-NH1 2.81Å |
| 1509 | F | 74.2 | Confident | 66.4 | Low | 28 Ų | 28 | 51.9 Ų | 51.9 | 12% | 0.123 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.4 | -177.6 | -63.5 | -12.2 | 0 | 0 | 0 | 114.3 | E1505 F1506 F1507 Y1511 P1514 L1541 F1544 | E1505-F1509 HydrophobicContact CG-CE1 4.43Å; E1505-F1509 HydrophobicContact CG-CZ 4.48Å; E1505-F1509 WeakPolarHBondContact O-CD1 3.33Å; E1505-F1509 WeakPolarHBondContact O-CE1 3.34Å; F1506-F1509 HydrophobicContact CD1-CD2 4.5Å; F1506-F1509 AromaticContact CD1-CE2 3.76Å; F1506-F1509 HydrophobicContact CD1-CE2 3.76Å; F1506-F1509 HydrophobicContact CD1-CZ 4.13Å; F1506-F1509 HydrophobicContact CE1-CE2 4.4Å; F1507-F1509 PolarHBondContact O-N 2.83Å; F1507-F1509 VanDerWaalsContact O-N 3.14Å; F1509-Y1511 VanDerWaalsContact C-N 3.35Å; F1509-P1514 HydrophobicContact CD1-CB 4.49Å; F1509-P1514 HydrophobicContact CD1-CG 4.35Å; F1509-P1514 HydrophobicContact CE1-CB 4.04Å; F1509-P1514 HydrophobicContact CE1-CG 4.22Å; F1509-P1514 HydrophobicContact CE2-CG 4.49Å; F1509-P1514 HydrophobicContact CZ-CB 4.29Å; F1509-P1514 HydrophobicContact CZ-CG 4.3Å; F1509-L1541 HydrophobicContact CB-CD2 4.27Å; F1509-L1541 HydrophobicContact CD2-CD2 4.44Å; F1509-F1544 HydrophobicContact CD2-CD1 4.31Å; F1509-F1544 HydrophobicContact CD2-CE1 4.07Å; F1509-F1544 HydrophobicContact CE2-CE1 4.42Å |
| 1510 | A | 69.6 | Low | 64.4 | Low | 12 Ų | 12 | 55.6 Ų | 55.6 | 10% | 0.099 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -32.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1507 E1508 A1545 M1593 | F1507-A1510 PolarHBondContact O-N 3.13Å; E1508-A1510 PolarHBondContact O-N 3.17Å; A1510-A1545 HydrophobicContact CB-CB 3.66Å; A1510-M1593 HydrophobicContact CB-CE 3.47Å; A1510-M1593 VanDerWaalsContact CB-CE 3.47Å; A1510-M1593 HydrophobicContact CB-CG 4.16Å |
| 1511 | Y | 70.7 | Confident | 61.9 | Low | 64 Ų | 64 | 60.9 Ų | 60.9 | 25% | 0.251 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | -7.6 | -175.4 | 57.1 | -96.8 | 0 | 0 | 0 | 113.9 | F1507 E1508 F1509 R1577 V1580 P1581 | F1507-Y1511 HydrophobicContact CE1-CE1 4.17Å; F1507-Y1511 HydrophobicContact CZ-CE1 4.23Å; E1508-Y1511 HydrophobicContact CG-CE2 4.22Å; E1508-Y1511 PolarHBondContact O-N 3.07Å; F1509-Y1511 VanDerWaalsContact C-N 3.35Å; Y1511-R1577 PolarHBondContact OH-O 3.4Å; Y1511-V1580 HydrophobicContact CD2-CG1 3.92Å; Y1511-V1580 HydrophobicContact CE2-CB 4.22Å; Y1511-V1580 HydrophobicContact CE2-CG1 3.91Å; Y1511-V1580 HydrophobicContact CG-CG1 4.4Å; Y1511-P1581 HydrophobicContact CD1-CB 4.45Å; Y1511-P1581 HydrophobicContact CD1-CG 4.32Å; Y1511-P1581 HydrophobicContact CE1-CG 4.12Å |
| 1512 | K | 71.3 | Confident | 59.5 | Low | 124 Ų | 124 | 64.1 Ų | 64.1 | 54% | 0.539 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -143.7 | 79.4 | 179.3 | -177.6 | -178.6 | 155.2 | -155.3 | 0 | 109 | E1508 | E1508-K1512 PolarHBondContact O-N 3.37Å; E1508-K1512 WeakPolarHBondContact OE2-CD 3.39Å; E1508-K1512 IonicContact OE2-NZ 2.78Å; E1508-K1512 PolarHBondContact OE2-NZ 3.44Å |
| 1513 | P | 61.8 | Low | 57.4 | Low | 76 Ų | 76 | 69 Ų | 69 | 49% | 0.494 | 41% | 0.408 | S | S | . | . | trans | -64.8 | 148 | -177.2 | 27.3 | -35.4 | 0 | 0 | 0 | 111.8 | L1541 | P1513-L1541 HydrophobicContact CB-CD1 3.95Š| ||
| 1514 | P | 57.5 | Low | 55.1 | Low | 31 Ų | 31 | 74.5 Ų | 74.5 | 20% | 0.201 | 44% | 0.444 | C | S | . | . | trans | -70.1 | 147.7 | -174.7 | 27.9 | -34.4 | 0 | 0 | 0 | 112.8 | F1509 C1516 C1517 | F1509-P1514 HydrophobicContact CD1-CB 4.49Å; F1509-P1514 HydrophobicContact CD1-CG 4.35Å; F1509-P1514 HydrophobicContact CE1-CB 4.04Å; F1509-P1514 HydrophobicContact CE1-CG 4.22Å; F1509-P1514 HydrophobicContact CE2-CG 4.49Å; F1509-P1514 HydrophobicContact CZ-CB 4.29Å; F1509-P1514 HydrophobicContact CZ-CG 4.3Å; P1514-C1516 PolarHBondContact O-N 2.96Å; P1514-C1517 WeakPolarHBondContact O-CB 3.27Å; P1514-C1517 PolarHBondContact O-N 3.36Å; P1514-C1517 PolarHBondContact O-SG 3.17Å | ||
| 1515 | E | 49.5 | Very low | 52.6 | Low | 170 Ų | 170 | 83.7 Ų | 83.7 | 79% | 0.794 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -59.1 | -26.5 | -170.2 | -61.1 | -171.9 | 151.7 | 0 | 0 | 114.5 | C1517 N1518 | E1515-C1517 PolarHBondContact O-N 3.13Å; E1515-C1517 VanDerWaalsContact O-N 3.12Å; E1515-N1518 WeakPolarHBondContact O-CB 3.38Å; E1515-N1518 PolarHBondContact O-N 3.47Å |
| 1516 | C | 43.4 | Very low | 50.2 | Low | 95 Ų | 95 | 86 Ų | 86 | 64% | 0.642 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -59.4 | -21.4 | 176.1 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | P1514 N1518 A1519 | P1514-C1516 PolarHBondContact O-N 2.96Å; C1516-N1518 PolarHBondContact O-N 2.82Å; C1516-A1519 PolarHBondContact O-N 3.35Å |
| 1517 | C | 42.7 | Very low | 47.8 | Very low | 41 Ų | 41 | 89.7 Ų | 89.7 | 28% | 0.277 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -62.1 | -22.5 | 172.6 | -61.9 | 0 | 0 | 0 | 0 | 113.4 | P1514 E1515 L1537 | P1514-C1517 WeakPolarHBondContact O-CB 3.27Å; P1514-C1517 PolarHBondContact O-N 3.36Å; P1514-C1517 PolarHBondContact O-SG 3.17Å; E1515-C1517 PolarHBondContact O-N 3.13Å; E1515-C1517 VanDerWaalsContact O-N 3.12Å; C1517-L1537 HydrophobicContact CB-CD2 4.14Å |
| 1518 | N | 40.2 | Very low | 45.3 | Very low | 149 Ų | 149 | 94.6 Ų | 94.6 | 80% | 0.797 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -87.7 | -5.1 | 179.3 | -63.4 | -37.5 | 0 | 0 | 0 | 113.6 | E1515 C1516 | E1515-N1518 WeakPolarHBondContact O-CB 3.38Å; E1515-N1518 PolarHBondContact O-N 3.47Å; C1516-N1518 PolarHBondContact O-N 2.82Å |
| 1519 | A | 33 | Very low | 42.9 | Very low | 80 Ų | 80 | 104 Ų | 104 | 66% | 0.661 | 63% | 0.629 | S | S | * | * | trans | -101.6 | 24.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | C1516 P1521 | C1516-A1519 PolarHBondContact O-N 3.35Å; A1519-P1521 WeakPolarHBondContact O-CD 3.45Å | ||
| 1520 | A | 29.7 | Very low | 40.8 | Very low | 89 Ų | 89 | 106.4 Ų | 106.4 | 74% | 0.736 | 66% | 0.662 | S | S | * | * | trans | -100.6 | 105 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1521 | P | 29 | Very low | 38.9 | Very low | 110 Ų | 110 | 112.1 Ų | 112.1 | 71% | 0.714 | 70% | 0.696 | S | S | * | * | trans | -78.6 | 130.7 | -179.9 | 30.7 | -34.5 | 0 | 0 | 0 | 113 | A1519 | A1519-P1521 WeakPolarHBondContact O-CD 3.45Š| ||
| 1522 | T | 28.4 | Very low | 37 | Very low | 134 Ų | 134 | 114.8 Ų | 114.8 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | trans | 38.1 | 89.6 | 152.9 | 55.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1523 | C | 27 | Very low | 35.1 | Very low | 127 Ų | 127 | 120.5 Ų | 120.5 | 86% | 0.858 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 125.6 | 156.1 | -169.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1524 | P | 28.9 | Very low | 33.8 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 155.9 | -175 | 30.1 | -35.3 | 0 | 0 | 0 | 113.5 | ||
| 1525 | K | 29.3 | Very low | 33 | Very low | 204 Ų | 204 | 125.5 Ų | 125.5 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 118.9 | 179.2 | -61.5 | 174 | -178.2 | 174.2 | 0 | 111.6 | ||
| 1526 | S | 27.7 | Very low | 33.1 | Very low | 126 Ų | 126 | 120 Ų | 120 | 88% | 0.881 | 75% | 0.75 | S | S | * | * | trans | 168.9 | 142.6 | 132 | 45.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1527 | G | 27 | Very low | 33.6 | Very low | 82 Ų | 82 | 119.7 Ų | 119.7 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | 94.6 | 38.6 | 123.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1528 | A | 30.6 | Very low | 34.2 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 87% | 0.868 | 75% | 0.753 | S | S | * | * | trans | -150.4 | 152.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1529 | K | 29.5 | Very low | 35 | Very low | 218 Ų | 218 | 118 Ų | 118 | 95% | 0.948 | 74% | 0.735 | S | S | * | * | trans | -107.5 | 140.7 | 177.9 | -67.7 | 178.2 | 179.6 | 175.7 | 0 | 110.5 | ||||
| 1530 | G | 30.7 | Very low | 36.2 | Very low | 80 Ų | 80 | 116.4 Ų | 116.4 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | trans | 109.1 | 52.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1531 | T | 28.5 | Very low | 37.9 | Very low | 132 Ų | 132 | 112.4 Ų | 112.4 | 81% | 0.81 | 68% | 0.683 | S | S | * | * | trans | -124.9 | 147.3 | 161.9 | 45.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1532 | P | 31.8 | Very low | 39.6 | Very low | 120 Ų | 120 | 107.4 Ų | 107.4 | 78% | 0.779 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 141.5 | 173.4 | 28.3 | -34 | 0 | 0 | 0 | 109.6 | T1534 | P1532-T1534 PolarHBondContact O-N 3.17Š|
| 1533 | R | 30.6 | Very low | 41.3 | Very low | 243 Ų | 243 | 106.3 Ų | 106.3 | 92% | 0.917 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 122.2 | 177 | -74.7 | 179 | 172.4 | 166.9 | -3.6 | 109.4 | ||
| 1534 | T | 33.9 | Very low | 43.4 | Very low | 125 Ų | 125 | 101 Ų | 101 | 77% | 0.767 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 141.5 | 160.9 | 45.8 | 0 | 0 | 0 | 0 | 109 | P1532 | P1532-T1534 PolarHBondContact O-N 3.17Š|
| 1535 | P | 41 | Very low | 45.5 | Very low | 88 Ų | 88 | 95.3 Ų | 95.3 | 57% | 0.571 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 156 | 170.4 | 27.2 | -34.5 | 0 | 0 | 0 | 109.8 | D1539 | P1535-D1539 HydrophobicContact CB-CB 4.11Š|
| 1536 | S | 52.6 | Low | 47.7 | Very low | 53 Ų | 53 | 86.7 Ų | 86.7 | 37% | 0.371 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 157.2 | 174.3 | 75.4 | 0 | 0 | 0 | 0 | 110.1 | C1538 D1539 T1540 | S1536-C1538 PolarHBondContact O-N 3.22Å; S1536-C1538 PolarHBondContact OG-N 3.35Å; S1536-D1539 WeakPolarHBondContact CA-OD2 3.38Å; S1536-D1539 VanDerWaalsContact CB-OD2 3.23Å; S1536-D1539 WeakPolarHBondContact CB-OD2 3.43Å; S1536-D1539 PolarHBondContact N-OD2 2.91Å; S1536-D1539 PolarHBondContact O-N 2.93Å; S1536-D1539 VanDerWaalsContact O-N 3.11Å; S1536-D1539 PolarHBondContact OG-N 2.9Å; S1536-D1539 PolarHBondContact OG-OD2 3.47Å; S1536-T1540 PolarHBondContact O-N 2.68Å; S1536-T1540 PolarHBondContact O-OG1 2.95Å |
| 1537 | L | 53.2 | Low | 49.8 | Very low | 90 Ų | 90 | 86.2 Ų | 86.2 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57 | -35.2 | 174.5 | -171.5 | 63.3 | 0 | 0 | 0 | 110.6 | F1470 C1517 T1540 L1541 | F1470-L1537 HydrophobicContact CE1-CD1 4.07Å; C1517-L1537 HydrophobicContact CB-CD2 4.14Å; L1537-T1540 PolarHBondContact O-N 2.92Å; L1537-L1541 HydrophobicContact CG-CD1 4.2Å; L1537-L1541 WeakPolarHBondContact O-CB 3.2Å; L1537-L1541 VanDerWaalsContact O-CG 3.31Å; L1537-L1541 WeakPolarHBondContact O-CG 3.41Å; L1537-L1541 PolarHBondContact O-N 2.71Å |
| 1538 | C | 54.8 | Low | 52.1 | Low | 77 Ų | 77 | 82.3 Ų | 82.3 | 52% | 0.52 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 175.7 | -53.6 | 0 | 0 | 0 | 0 | 113.2 | S1536 T1540 L1541 A1542 | S1536-C1538 PolarHBondContact O-N 3.22Å; S1536-C1538 PolarHBondContact OG-N 3.35Å; C1538-T1540 VanDerWaalsContact C-N 3.26Å; C1538-T1540 PolarHBondContact O-N 2.63Å; C1538-L1541 PolarHBondContact O-N 3.19Å; C1538-A1542 WeakPolarHBondContact O-CB 3.37Å; C1538-A1542 PolarHBondContact O-N 2.71Å |
| 1539 | D | 58 | Low | 54.6 | Low | 78 Ų | 78 | 77.5 Ų | 77.5 | 42% | 0.417 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 176.8 | -56.2 | -55.1 | 0 | 0 | 0 | 110.9 | P1535 S1536 L1543 | P1535-D1539 HydrophobicContact CB-CB 4.11Å; S1536-D1539 WeakPolarHBondContact CA-OD2 3.38Å; S1536-D1539 VanDerWaalsContact CB-OD2 3.23Å; S1536-D1539 WeakPolarHBondContact CB-OD2 3.43Å; S1536-D1539 PolarHBondContact N-OD2 2.91Å; S1536-D1539 PolarHBondContact O-N 2.93Å; S1536-D1539 VanDerWaalsContact O-N 3.11Å; S1536-D1539 PolarHBondContact OG-N 2.9Å; S1536-D1539 PolarHBondContact OG-OD2 3.47Å; D1539-L1543 WeakPolarHBondContact O-CG 3.39Å; D1539-L1543 PolarHBondContact O-N 2.92Å |
| 1540 | T | 58.5 | Low | 56.9 | Low | 45 Ų | 45 | 71.5 Ų | 71.5 | 28% | 0.276 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -73.6 | -41.9 | -179.7 | -46.2 | 0 | 0 | 0 | 0 | 111.4 | F1470 S1536 L1537 C1538 L1543 F1544 | F1470-T1540 HydrophobicContact CD1-CG2 4.01Å; S1536-T1540 PolarHBondContact O-N 2.68Å; S1536-T1540 PolarHBondContact O-OG1 2.95Å; L1537-T1540 PolarHBondContact O-N 2.92Å; C1538-T1540 VanDerWaalsContact C-N 3.26Å; C1538-T1540 PolarHBondContact O-N 2.63Å; T1540-L1543 PolarHBondContact O-N 3.5Å; T1540-F1544 PolarHBondContact O-N 2.82Å; T1540-F1544 VanDerWaalsContact O-N 3.08Å |
| 1541 | L | 64.1 | Low | 59 | Low | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.6 | -41 | 173 | -74.9 | 170.4 | 0 | 0 | 0 | 111.9 | F1470 F1509 P1513 L1537 C1538 F1544 A1545 | F1470-L1541 HydrophobicContact CE1-CD2 3.64Å; F1470-L1541 HydrophobicContact CE1-CG 4.13Å; F1470-L1541 HydrophobicContact CZ-CD2 3.62Å; F1470-L1541 HydrophobicContact CZ-CG 4.5Å; F1509-L1541 HydrophobicContact CB-CD2 4.27Å; F1509-L1541 HydrophobicContact CD2-CD2 4.44Å; P1513-L1541 HydrophobicContact CB-CD1 3.95Å; L1537-L1541 HydrophobicContact CG-CD1 4.2Å; L1537-L1541 WeakPolarHBondContact O-CB 3.2Å; L1537-L1541 VanDerWaalsContact O-CG 3.31Å; L1537-L1541 WeakPolarHBondContact O-CG 3.41Å; L1537-L1541 PolarHBondContact O-N 2.71Å; C1538-L1541 PolarHBondContact O-N 3.19Å; L1541-F1544 PolarHBondContact O-N 3.34Å; L1541-A1545 WeakPolarHBondContact O-CB 3.47Å; L1541-A1545 PolarHBondContact O-N 3.33Å |
| 1542 | A | 65.4 | Low | 61.7 | Low | 5 Ų | 5 | 62.7 Ų | 62.7 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1538 F1544 A1545 E1546 | C1538-A1542 WeakPolarHBondContact O-CB 3.37Å; C1538-A1542 PolarHBondContact O-N 2.71Å; A1542-F1544 PolarHBondContact O-N 3.33Å; A1542-A1545 PolarHBondContact O-N 2.95Å; A1542-E1546 WeakPolarHBondContact O-CB 3.16Å; A1542-E1546 VanDerWaalsContact O-CG 3.32Å; A1542-E1546 WeakPolarHBondContact O-CG 3.47Å; A1542-E1546 PolarHBondContact O-N 3.35Å |
| 1543 | L | 65.3 | Low | 64.2 | Low | 111 Ų | 111 | 57.9 Ų | 57.9 | 58% | 0.581 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.8 | -40.5 | 174.7 | -75.2 | 167.3 | 0 | 0 | 0 | 112.5 | D1539 T1540 E1546 R1547 | D1539-L1543 WeakPolarHBondContact O-CG 3.39Å; D1539-L1543 PolarHBondContact O-N 2.92Å; T1540-L1543 PolarHBondContact O-N 3.5Å; L1543-E1546 PolarHBondContact O-N 2.61Å; L1543-R1547 PolarHBondContact O-N 3.48Å |
| 1544 | F | 69.2 | Low | 66.5 | Low | 15 Ų | 15 | 50.8 Ų | 50.8 | 7% | 0.066 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 176.1 | 171.5 | -109.5 | 0 | 0 | 0 | 112.6 | A1469 Y1474 F1506 F1509 T1540 L1541 A1542 R1547 S1548 | A1469-F1544 HydrophobicContact CB-CD1 4.05Å; A1469-F1544 HydrophobicContact CB-CD2 3.72Å; A1469-F1544 HydrophobicContact CB-CE1 3.69Å; A1469-F1544 HydrophobicContact CB-CE2 3.35Å; A1469-F1544 HydrophobicContact CB-CG 4.06Å; A1469-F1544 HydrophobicContact CB-CZ 3.33Å; A1469-F1544 WeakPolarHBondContact O-CD2 3.3Å; Y1474-F1544 AromaticContact CD1-CE2 3.86Å; Y1474-F1544 HydrophobicContact CD1-CE2 3.86Å; Y1474-F1544 AromaticContact CE1-CE2 3.84Å; Y1474-F1544 HydrophobicContact CE1-CE2 3.84Å; Y1474-F1544 HydrophobicContact CE1-CZ 4.49Å; Y1474-F1544 HydrophobicContact CG-CE2 4.39Å; F1506-F1544 HydrophobicContact CB-CE1 3.6Å; F1506-F1544 HydrophobicContact CB-CZ 3.8Å; F1506-F1544 HydrophobicContact CD1-CE1 4.18Å; F1506-F1544 HydrophobicContact CD1-CZ 4.28Å; F1506-F1544 HydrophobicContact CD2-CE1 4.23Å; F1506-F1544 AromaticContact CD2-CZ 3.63Å; F1506-F1544 HydrophobicContact CD2-CZ 3.63Å; F1506-F1544 HydrophobicContact CE2-CZ 4.25Å; F1506-F1544 AromaticContact CG-CE1 3.75Å; F1506-F1544 HydrophobicContact CG-CE1 3.75Å; F1506-F1544 AromaticContact CG-CZ 3.64Å; F1506-F1544 HydrophobicContact CG-CZ 3.64Å; F1509-F1544 HydrophobicContact CD2-CD1 4.31Å; F1509-F1544 HydrophobicContact CD2-CE1 4.07Å; F1509-F1544 HydrophobicContact CE2-CE1 4.42Å; T1540-F1544 PolarHBondContact O-N 2.82Å; T1540-F1544 VanDerWaalsContact O-N 3.08Å; L1541-F1544 PolarHBondContact O-N 3.34Å; A1542-F1544 PolarHBondContact O-N 3.33Å; F1544-R1547 PolarHBondContact O-N 3.32Å; F1544-S1548 WeakPolarHBondContact CZ-OG 3.34Å; F1544-S1548 WeakPolarHBondContact O-CB 3.36Å; F1544-S1548 PolarHBondContact O-N 2.93Å; F1544-S1548 PolarHBondContact O-OG 2.84Å |
| 1545 | A | 74.8 | Confident | 68.7 | Low | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.8 | -36.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1510 L1541 A1542 R1547 S1548 L1549 M1593 | A1510-A1545 HydrophobicContact CB-CB 3.66Å; L1541-A1545 WeakPolarHBondContact O-CB 3.47Å; L1541-A1545 PolarHBondContact O-N 3.33Å; A1542-A1545 PolarHBondContact O-N 2.95Å; A1545-R1547 VanDerWaalsContact C-N 3.28Å; A1545-R1547 PolarHBondContact O-N 2.83Å; A1545-S1548 PolarHBondContact O-N 3.46Å; A1545-L1549 WeakPolarHBondContact O-CB 3.3Å; A1545-L1549 PolarHBondContact O-N 2.88Å; A1545-M1593 VanDerWaalsContact C-CE 3.5Å; A1545-M1593 HydrophobicContact CB-CE 3.62Å |
| 1546 | E | 74.6 | Confident | 70.9 | Confident | 22 Ų | 22 | 41.7 Ų | 41.7 | 10% | 0.103 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.1 | -39.4 | 171.8 | -78.4 | 173.1 | -156.7 | 0 | 0 | 111.2 | A1542 L1543 E1550 S1590 M1593 C1596 | A1542-E1546 WeakPolarHBondContact O-CB 3.16Å; A1542-E1546 VanDerWaalsContact O-CG 3.32Å; A1542-E1546 WeakPolarHBondContact O-CG 3.47Å; A1542-E1546 PolarHBondContact O-N 3.35Å; L1543-E1546 PolarHBondContact O-N 2.61Å; E1546-E1550 PolarHBondContact O-N 3.46Å; E1546-S1590 WeakPolarHBondContact OE1-CB 3.31Å; E1546-S1590 PolarHBondContact OE1-OG 3.15Å; E1546-M1593 HydrophobicContact CG-CB 4.09Å; E1546-M1593 HydrophobicContact CG-CE 3.99Å; E1546-M1593 HydrophobicContact CG-CG 4.39Å; E1546-M1593 HydrophobicContact CG-SD 3.62Å; E1546-M1593 WeakPolarHBondContact OE1-CA 3.37Å; E1546-M1593 PolarHBondContact OE1-N 3.04Å; E1546-M1593 VanDerWaalsContact OE1-N 3.15Å; E1546-C1596 HydrophobicContact CG-CB 4.38Å |
| 1547 | R | 71.2 | Confident | 72.4 | Confident | 116 Ų | 116 | 41.1 Ų | 41.1 | 44% | 0.438 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -79.7 | -32.1 | 175.9 | -62.8 | -50.9 | -169.2 | 139.7 | 11.3 | 114.7 | E1475 L1543 F1544 A1545 L1549 E1550 M1551 | E1475-R1547 WeakPolarHBondContact OE1-CD 3.31Å; E1475-R1547 WeakPolarHBondContact OE1-CG 3.45Å; E1475-R1547 IonicContact OE1-CZ 3Å; E1475-R1547 VanDerWaalsContact OE1-CZ 3.28Å; E1475-R1547 IonicContact OE1-NE 3.96Å; E1475-R1547 PolarHBondContact OE1-NE 2.89Å; E1475-R1547 IonicContact OE1-NH1 2.91Å; E1475-R1547 PolarHBondContact OE1-NH1 3.2Å; L1543-R1547 PolarHBondContact O-N 3.48Å; F1544-R1547 PolarHBondContact O-N 3.32Å; A1545-R1547 VanDerWaalsContact C-N 3.28Å; A1545-R1547 PolarHBondContact O-N 2.83Å; R1547-L1549 VanDerWaalsContact C-N 3.29Å; R1547-L1549 PolarHBondContact O-N 3.06Å; R1547-E1550 WeakPolarHBondContact CD-OE2 3.41Å; R1547-E1550 IonicContact CZ-OE2 2.69Å; R1547-E1550 IonicContact NE-OE2 3.15Å; R1547-E1550 IonicContact NH1-OE1 3.38Å; R1547-E1550 IonicContact NH1-OE2 2.82Å; R1547-E1550 PolarHBondContact NH1-OE2 2.84Å; R1547-E1550 PolarHBondContact O-N 2.95Å; R1547-M1551 PolarHBondContact O-N 3.22Å |
| 1548 | S | 76 | Confident | 73.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.7 | -38.7 | 172.9 | -59.3 | 0 | 0 | 0 | 0 | 110.9 | F1544 A1545 M1551 L1552 | F1544-S1548 WeakPolarHBondContact CZ-OG 3.34Å; F1544-S1548 WeakPolarHBondContact O-CB 3.36Å; F1544-S1548 PolarHBondContact O-N 2.93Å; F1544-S1548 PolarHBondContact O-OG 2.84Å; A1545-S1548 PolarHBondContact O-N 3.46Å; S1548-M1551 PolarHBondContact O-N 3.23Å; S1548-L1552 WeakPolarHBondContact O-CB 3.23Å; S1548-L1552 PolarHBondContact O-N 3.33Å |
| 1549 | L | 82.8 | Confident | 75.1 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.4 | -47.3 | 172 | -178.9 | 63.9 | 0 | 0 | 0 | 112.2 | F1507 A1545 R1547 M1551 L1552 V1553 L1578 M1593 C1596 A1600 | F1507-L1549 HydrophobicContact CD2-CB 3.88Å; F1507-L1549 HydrophobicContact CD2-CD1 4.12Å; F1507-L1549 HydrophobicContact CD2-CD2 4.3Å; F1507-L1549 HydrophobicContact CD2-CG 4.32Å; F1507-L1549 HydrophobicContact CE2-CB 4.29Å; F1507-L1549 HydrophobicContact CE2-CD1 4.07Å; F1507-L1549 HydrophobicContact CE2-CD2 3.84Å; F1507-L1549 HydrophobicContact CE2-CG 4.29Å; F1507-L1549 HydrophobicContact CG-CD1 4.45Å; F1507-L1549 HydrophobicContact CZ-CD1 4.34Å; A1545-L1549 WeakPolarHBondContact O-CB 3.3Å; A1545-L1549 PolarHBondContact O-N 2.88Å; R1547-L1549 VanDerWaalsContact C-N 3.29Å; R1547-L1549 PolarHBondContact O-N 3.06Å; L1549-M1551 VanDerWaalsContact C-N 3.31Å; L1549-M1551 PolarHBondContact O-N 3.4Å; L1549-L1552 HydrophobicContact CD1-CD2 4.21Å; L1549-L1552 PolarHBondContact O-N 3.08Å; L1549-V1553 HydrophobicContact CD1-CG2 4.36Å; L1549-V1553 VanDerWaalsContact O-CG2 3.3Å; L1549-V1553 WeakPolarHBondContact O-CG2 3.32Å; L1549-V1553 PolarHBondContact O-N 3.21Å; L1549-L1578 HydrophobicContact CD1-CD2 4.04Å; L1549-L1578 HydrophobicContact CD2-CD2 4.38Å; L1549-M1593 HydrophobicContact CD2-SD 4.4Å; L1549-C1596 HydrophobicContact CD2-CB 4.28Å; L1549-A1600 HydrophobicContact CD1-CB 3.83Å; L1549-A1600 HydrophobicContact CD2-CB 3.76Å; L1549-A1600 HydrophobicContact CG-CB 3.83Å |
| 1550 | E | 78.8 | Confident | 76.2 | Confident | 92 Ų | 92 | 33.1 Ų | 33.1 | 43% | 0.43 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58 | -42.5 | 176.7 | -175.7 | 179.6 | -174.7 | 0 | 0 | 111.9 | E1546 R1547 N1554 | E1546-E1550 PolarHBondContact O-N 3.46Å; R1547-E1550 WeakPolarHBondContact CD-OE2 3.41Å; R1547-E1550 IonicContact CZ-OE2 2.69Å; R1547-E1550 IonicContact NE-OE2 3.15Å; R1547-E1550 IonicContact NH1-OE1 3.38Å; R1547-E1550 IonicContact NH1-OE2 2.82Å; R1547-E1550 PolarHBondContact NH1-OE2 2.84Å; R1547-E1550 PolarHBondContact O-N 2.95Å; E1550-N1554 PolarHBondContact O-N 3.08Å; E1550-N1554 PolarHBondContact O-ND2 2.86Å |
| 1551 | M | 74 | Confident | 77.3 | Confident | 27 Ų | 27 | 35.4 Ų | 35.4 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.4 | -41.4 | 177 | -166.2 | 176.7 | -61.8 | 0 | 0 | 112.2 | Y1474 F1478 L1503 R1547 S1548 L1549 N1554 F1555 | Y1474-M1551 HydrophobicContact CD1-CE 4.21Å; Y1474-M1551 HydrophobicContact CE1-CE 3.87Å; Y1474-M1551 HydrophobicContact CE1-SD 4.4Å; F1478-M1551 HydrophobicContact CB-SD 4.42Å; F1478-M1551 HydrophobicContact CD1-SD 3.74Å; L1503-M1551 HydrophobicContact CD2-CB 4.45Å; L1503-M1551 HydrophobicContact CD2-CG 4.46Å; L1503-M1551 HydrophobicContact CD2-SD 4.14Å; R1547-M1551 PolarHBondContact O-N 3.22Å; S1548-M1551 PolarHBondContact O-N 3.23Å; L1549-M1551 VanDerWaalsContact C-N 3.31Å; L1549-M1551 PolarHBondContact O-N 3.4Å; M1551-N1554 PolarHBondContact O-N 3.49Å; M1551-F1555 WeakPolarHBondContact O-CB 3.41Å; M1551-F1555 PolarHBondContact O-N 3.33Å |
| 1552 | L | 85 | Confident | 78.3 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.2 | -44.1 | 177 | 171.1 | 141.7 | 0 | 0 | 0 | 112.6 | L1503 L1504 S1548 L1549 F1555 Y1556 I1574 | L1503-L1552 HydrophobicContact CB-CB 4.16Å; L1503-L1552 HydrophobicContact CB-CD1 4.02Å; L1503-L1552 HydrophobicContact CD1-CB 4.37Å; L1504-L1552 HydrophobicContact CD2-CD1 3.62Å; L1504-L1552 HydrophobicContact CG-CD1 3.68Å; S1548-L1552 WeakPolarHBondContact O-CB 3.23Å; S1548-L1552 PolarHBondContact O-N 3.33Å; L1549-L1552 HydrophobicContact CD1-CD2 4.21Å; L1549-L1552 PolarHBondContact O-N 3.08Å; L1552-F1555 PolarHBondContact O-N 2.89Å; L1552-Y1556 WeakPolarHBondContact O-CB 3.48Å; L1552-Y1556 PolarHBondContact O-N 3.43Å; L1552-I1574 HydrophobicContact CD1-CG1 4.25Å; L1552-I1574 HydrophobicContact CD2-CD1 3.92Å; L1552-I1574 HydrophobicContact CD2-CG1 3.91Å; L1552-I1574 HydrophobicContact CD2-CG2 3.92Å; L1552-I1574 HydrophobicContact CG-CD1 4.29Å; L1552-I1574 HydrophobicContact CG-CG1 4.39Å |
| 1553 | V | 84.7 | Confident | 78.9 | Confident | 18 Ų | 18 | 40.6 Ų | 40.6 | 11% | 0.109 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 177.6 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | L1549 F1555 Y1556 G1557 A1600 S1603 V1604 | L1549-V1553 HydrophobicContact CD1-CG2 4.36Å; L1549-V1553 VanDerWaalsContact O-CG2 3.3Å; L1549-V1553 WeakPolarHBondContact O-CG2 3.32Å; L1549-V1553 PolarHBondContact O-N 3.21Å; V1553-F1555 PolarHBondContact O-N 3.47Å; V1553-Y1556 PolarHBondContact O-N 3.33Å; V1553-G1557 PolarHBondContact O-N 3.25Å; V1553-A1600 HydrophobicContact CG2-CB 3.53Å; V1553-S1603 VanDerWaalsContact CG1-OG 3.31Å; V1553-S1603 WeakPolarHBondContact CG1-OG 3.37Å; V1553-V1604 HydrophobicContact CB-CG2 4.49Å; V1553-V1604 HydrophobicContact CG1-CG2 4.33Å; V1553-V1604 HydrophobicContact CG2-CG2 3.95Å |
| 1554 | N | 78.7 | Confident | 79.7 | Confident | 95 Ų | 95 | 37.5 Ų | 37.5 | 51% | 0.508 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 178 | -75.3 | -56.8 | 0 | 0 | 0 | 112.3 | E1550 M1551 G1557 E1558 | E1550-N1554 PolarHBondContact O-N 3.08Å; E1550-N1554 PolarHBondContact O-ND2 2.86Å; M1551-N1554 PolarHBondContact O-N 3.49Å; N1554-G1557 PolarHBondContact O-N 2.96Å; N1554-E1558 PolarHBondContact O-N 3.11Å |
| 1555 | F | 79.5 | Confident | 80.4 | Confident | 17 Ų | 17 | 36.9 Ų | 36.9 | 8% | 0.075 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.1 | -38.9 | -179.2 | -160.6 | -124.2 | 0 | 0 | 0 | 112.5 | W1482 L1496 V1499 F1500 M1551 L1552 V1553 E1558 T1559 | W1482-F1555 HydrophobicContact CB-CE2 4.04Å; W1482-F1555 HydrophobicContact CB-CZ 4.13Å; L1496-F1555 HydrophobicContact CD2-CE1 3.75Å; L1496-F1555 HydrophobicContact CD2-CE2 4.49Å; L1496-F1555 HydrophobicContact CD2-CZ 3.41Å; L1496-F1555 VanDerWaalsContact CD2-CZ 3.41Å; V1499-F1555 HydrophobicContact CB-CE1 4.07Å; V1499-F1555 HydrophobicContact CG1-CD1 4.2Å; V1499-F1555 HydrophobicContact CG1-CE1 3.66Å; V1499-F1555 HydrophobicContact CG1-CZ 4.21Å; F1500-F1555 HydrophobicContact CD1-CD1 4.31Å; F1500-F1555 HydrophobicContact CD2-CD1 4.33Å; F1500-F1555 HydrophobicContact CD2-CE1 4.43Å; F1500-F1555 HydrophobicContact CE1-CB 4.21Å; F1500-F1555 AromaticContact CE1-CD1 3.73Å; F1500-F1555 HydrophobicContact CE1-CD1 3.73Å; F1500-F1555 HydrophobicContact CE1-CG 4.4Å; F1500-F1555 AromaticContact CE2-CD1 3.75Å; F1500-F1555 HydrophobicContact CE2-CD1 3.75Å; F1500-F1555 AromaticContact CE2-CE1 3.97Å; F1500-F1555 HydrophobicContact CE2-CE1 3.97Å; F1500-F1555 HydrophobicContact CZ-CB 4.33Å; F1500-F1555 AromaticContact CZ-CD1 3.41Å; F1500-F1555 HydrophobicContact CZ-CD1 3.41Å; F1500-F1555 VanDerWaalsContact CZ-CD1 3.41Å; F1500-F1555 HydrophobicContact CZ-CE1 4.1Å; F1500-F1555 HydrophobicContact CZ-CG 4.16Å; M1551-F1555 WeakPolarHBondContact O-CB 3.41Å; M1551-F1555 PolarHBondContact O-N 3.33Å; L1552-F1555 PolarHBondContact O-N 2.89Å; V1553-F1555 PolarHBondContact O-N 3.47Å; F1555-E1558 PolarHBondContact O-N 3.13Å; F1555-T1559 PolarHBondContact O-N 3.17Å; F1555-T1559 PolarHBondContact O-OG1 3.11Å |
| 1556 | Y | 87.7 | Confident | 80.8 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.5 | -44 | 171.4 | -177 | -105.9 | 0 | 0 | 0 | 111.3 | L1552 V1553 E1558 T1559 A1560 V1565 I1570 A1571 I1574 V1604 V1607 T1608 | L1552-Y1556 WeakPolarHBondContact O-CB 3.48Å; L1552-Y1556 PolarHBondContact O-N 3.43Å; V1553-Y1556 PolarHBondContact O-N 3.33Å; Y1556-E1558 PolarHBondContact O-N 3.23Å; Y1556-E1558 VanDerWaalsContact O-N 3.12Å; Y1556-T1559 PolarHBondContact O-N 3.39Å; Y1556-A1560 HydrophobicContact CD1-CB 4.28Å; Y1556-A1560 HydrophobicContact CD2-CB 4.1Å; Y1556-A1560 HydrophobicContact CE1-CB 3.89Å; Y1556-A1560 HydrophobicContact CE2-CB 3.68Å; Y1556-A1560 HydrophobicContact CG-CB 4.38Å; Y1556-A1560 WeakPolarHBondContact O-CB 3.22Å; Y1556-A1560 PolarHBondContact O-N 3.06Å; Y1556-V1565 HydrophobicContact CD2-CG1 4.4Å; Y1556-V1565 HydrophobicContact CE2-CG1 4.48Å; Y1556-I1570 HydrophobicContact CD2-CG2 4.02Å; Y1556-I1570 HydrophobicContact CE2-CG2 4.42Å; Y1556-A1571 HydrophobicContact CE2-CB 4.24Å; Y1556-A1571 WeakPolarHBondContact OH-CB 3.42Å; Y1556-I1574 HydrophobicContact CD2-CD1 4.03Å; Y1556-I1574 HydrophobicContact CG-CD1 4.02Å; Y1556-V1604 HydrophobicContact CD1-CG1 3.8Å; Y1556-V1604 HydrophobicContact CD1-CG2 4.48Å; Y1556-V1604 HydrophobicContact CE1-CG1 3.72Å; Y1556-V1607 HydrophobicContact CD1-CB 4.18Å; Y1556-V1607 HydrophobicContact CD1-CG1 3.79Å; Y1556-V1607 HydrophobicContact CE1-CB 3.93Å; Y1556-V1607 HydrophobicContact CE1-CG1 3.53Å; Y1556-T1608 WeakPolarHBondContact CE1-OG1 3.36Å; Y1556-T1608 PolarHBondContact OH-OG1 2.95Å |
| 1557 | G | 84 | Confident | 81.3 | Confident | 41 Ų | 41 | 42.4 Ų | 42.4 | 42% | 0.423 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -55.4 | -28.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V1553 N1554 | V1553-G1557 PolarHBondContact O-N 3.25Å; N1554-G1557 PolarHBondContact O-N 2.96Å |
| 1558 | E | 79.5 | Confident | 81.9 | Confident | 65 Ų | 65 | 38 Ų | 38 | 30% | 0.304 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -92.2 | -17.5 | 175.9 | -64.5 | -161.2 | 172.6 | 0 | 0 | 115.1 | Q1483 R1487 N1554 F1555 Y1556 | Q1483-E1558 WeakPolarHBondContact CG-OE2 3.38Å; Q1483-E1558 PolarHBondContact NE2-OE1 2.7Å; R1487-E1558 IonicContact CZ-OE1 3.58Å; R1487-E1558 IonicContact CZ-OE2 3.86Å; R1487-E1558 IonicContact NE-OE2 3.67Å; R1487-E1558 PolarHBondContact NE-OE2 3.44Å; R1487-E1558 IonicContact NH2-OE1 3.56Å; R1487-E1558 PolarHBondContact NH2-OE1 3.39Å; R1487-E1558 IonicContact NH2-OE2 2.64Å; R1487-E1558 PolarHBondContact NH2-OE2 3.03Å; N1554-E1558 PolarHBondContact O-N 3.11Å; F1555-E1558 PolarHBondContact O-N 3.13Å; Y1556-E1558 PolarHBondContact O-N 3.23Å; Y1556-E1558 VanDerWaalsContact O-N 3.12Å |
| 1559 | T | 84.7 | Confident | 82.4 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -127 | -3.7 | -166 | 61.9 | 0 | 0 | 0 | 0 | 115.2 | F1500 F1555 Y1556 L1561 F1562 | F1500-T1559 WeakPolarHBondContact CZ-OG1 3.28Å; F1555-T1559 PolarHBondContact O-N 3.17Å; F1555-T1559 PolarHBondContact O-OG1 3.11Å; Y1556-T1559 PolarHBondContact O-N 3.39Å; T1559-L1561 PolarHBondContact O-N 3Å; T1559-F1562 HydrophobicContact CG2-CD2 4.18Å; T1559-F1562 HydrophobicContact CG2-CE2 4Å; T1559-F1562 WeakPolarHBondContact O-CB 3.5Å; T1559-F1562 PolarHBondContact O-N 3.1Å |
| 1560 | A | 81.2 | Confident | 82.8 | Confident | 7 Ų | 7 | 40 Ų | 40 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -13.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | Y1556 V1566 V1607 | Y1556-A1560 HydrophobicContact CD1-CB 4.28Å; Y1556-A1560 HydrophobicContact CD2-CB 4.1Å; Y1556-A1560 HydrophobicContact CE1-CB 3.89Å; Y1556-A1560 HydrophobicContact CE2-CB 3.68Å; Y1556-A1560 HydrophobicContact CG-CB 4.38Å; Y1556-A1560 WeakPolarHBondContact O-CB 3.22Å; Y1556-A1560 PolarHBondContact O-N 3.06Å; A1560-V1566 WeakPolarHBondContact O-CG2 3.3Å; A1560-V1607 HydrophobicContact CB-CG1 3.58Å |
| 1561 | L | 82.7 | Confident | 83.2 | Confident | 93 Ų | 93 | 35.8 Ų | 35.8 | 49% | 0.487 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -7.6 | 175.7 | -72.2 | 172 | 0 | 0 | 0 | 113.9 | T1559 A1611 E1614 | T1559-L1561 PolarHBondContact O-N 3Å; L1561-A1611 HydrophobicContact CD2-CB 4.09Å; L1561-E1614 HydrophobicContact CD2-CB 4.18Å |
| 1562 | F | 84.3 | Confident | 84 | Confident | 53 Ų | 53 | 37.2 Ų | 37.2 | 23% | 0.232 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -72.1 | 135.7 | -179.8 | -69.7 | 5.3 | 0 | 0 | 0 | 110.3 | L1496 T1559 E1564 V1565 V1566 | L1496-F1562 HydrophobicContact CD1-CD2 3.73Å; L1496-F1562 HydrophobicContact CD1-CE2 4.33Å; T1559-F1562 HydrophobicContact CG2-CD2 4.18Å; T1559-F1562 HydrophobicContact CG2-CE2 4Å; T1559-F1562 WeakPolarHBondContact O-CB 3.5Å; T1559-F1562 PolarHBondContact O-N 3.1Å; F1562-E1564 VanDerWaalsContact C-N 3.27Å; F1562-E1564 PolarHBondContact O-N 3.37Å; F1562-V1565 HydrophobicContact CB-CB 4.43Å; F1562-V1565 HydrophobicContact CB-CG2 4.17Å; F1562-V1565 PolarHBondContact O-N 2.92Å; F1562-V1566 PolarHBondContact O-N 3.5Å; F1562-V1566 VanDerWaalsContact O-N 3.11Å |
| 1563 | P | 79 | Confident | 84.3 | Confident | 67 Ų | 67 | 39.3 Ų | 39.3 | 44% | 0.435 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -51.7 | -45.9 | -178.7 | -26.8 | 34.4 | 0 | 0 | 0 | 112.9 | V1565 V1566 E1567 | P1563-V1565 PolarHBondContact O-N 3.09Å; P1563-V1565 VanDerWaalsContact O-N 3.11Å; P1563-V1566 PolarHBondContact O-N 3.37Å; P1563-V1566 VanDerWaalsContact O-N 3.13Å; P1563-E1567 WeakPolarHBondContact O-CB 3.4Å; P1563-E1567 WeakPolarHBondContact O-CG 3.47Å; P1563-E1567 PolarHBondContact O-N 3.16Å |
| 1564 | E | 82 | Confident | 84.5 | Confident | 46 Ų | 46 | 38.6 Ų | 38.6 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.9 | -20.8 | -177.2 | -51.2 | 90.8 | 153.8 | 0 | 0 | 113.3 | R1493 P1497 F1562 A1568 | R1493-E1564 HydrophobicContact CB-CG 4.32Å; R1493-E1564 WeakPolarHBondContact CB-OE1 3.42Å; R1493-E1564 VanDerWaalsContact CD-OE1 3.31Å; R1493-E1564 WeakPolarHBondContact CD-OE1 3.47Å; P1497-E1564 WeakPolarHBondContact CG-O 3.18Å; F1562-E1564 VanDerWaalsContact C-N 3.27Å; F1562-E1564 PolarHBondContact O-N 3.37Å; E1564-A1568 WeakPolarHBondContact O-CB 3.35Å |
| 1565 | V | 83.4 | Confident | 85.2 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -94.6 | -30.9 | 178.8 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | L1496 F1500 Y1556 F1562 P1563 I1570 | L1496-V1565 HydrophobicContact CB-CG2 4.09Å; L1496-V1565 HydrophobicContact CD1-CG2 4.06Å; F1500-V1565 HydrophobicContact CE2-CG1 3.88Å; F1500-V1565 HydrophobicContact CE2-CG2 3.97Å; F1500-V1565 HydrophobicContact CZ-CG1 4.37Å; Y1556-V1565 HydrophobicContact CD2-CG1 4.4Å; Y1556-V1565 HydrophobicContact CE2-CG1 4.48Å; F1562-V1565 HydrophobicContact CB-CB 4.43Å; F1562-V1565 HydrophobicContact CB-CG2 4.17Å; F1562-V1565 PolarHBondContact O-N 2.92Å; P1563-V1565 PolarHBondContact O-N 3.09Å; P1563-V1565 VanDerWaalsContact O-N 3.11Å; V1565-I1570 HydrophobicContact CG1-CB 4.04Å; V1565-I1570 HydrophobicContact CG1-CG1 4.04Å; V1565-I1570 HydrophobicContact CG1-CG2 4.33Å; V1565-I1570 WeakPolarHBondContact O-CG1 3.36Å |
| 1566 | V | 83.6 | Confident | 85.7 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74.7 | -50.8 | 175.2 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | A1560 F1562 P1563 A1568 D1569 H1620 L1621 | A1560-V1566 WeakPolarHBondContact O-CG2 3.3Å; F1562-V1566 PolarHBondContact O-N 3.5Å; F1562-V1566 VanDerWaalsContact O-N 3.11Å; P1563-V1566 PolarHBondContact O-N 3.37Å; P1563-V1566 VanDerWaalsContact O-N 3.13Å; V1566-A1568 PolarHBondContact O-N 3.09Å; V1566-D1569 PolarHBondContact O-N 3.34Å; V1566-D1569 VanDerWaalsContact O-N 3.17Å; V1566-H1620 HydrophobicContact CG1-CB 3.92Å; V1566-H1620 VanDerWaalsContact O-CB 3.27Å; V1566-H1620 WeakPolarHBondContact O-CB 3.11Å; V1566-L1621 HydrophobicContact CG1-CD2 4.3Å; V1566-L1621 HydrophobicContact CG1-CG 4.17Å |
| 1567 | E | 83.9 | Confident | 85.7 | Confident | 130 Ų | 130 | 39.7 Ų | 39.7 | 61% | 0.607 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -16 | -178.4 | -68 | 167.3 | -159.2 | 0 | 0 | 113.7 | P1563 H1620 | P1563-E1567 WeakPolarHBondContact O-CB 3.4Å; P1563-E1567 WeakPolarHBondContact O-CG 3.47Å; P1563-E1567 PolarHBondContact O-N 3.16Å; E1567-H1620 PolarHBondContact O-CE1 3.03Å |
| 1568 | A | 83.5 | Confident | 85.9 | Confident | 24 Ų | 24 | 37.8 Ų | 37.8 | 20% | 0.198 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 12.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1497 E1564 V1566 I1570 K1573 | P1497-A1568 HydrophobicContact CB-CB 3.94Å; P1497-A1568 HydrophobicContact CG-CB 3.8Å; E1564-A1568 WeakPolarHBondContact O-CB 3.35Å; V1566-A1568 PolarHBondContact O-N 3.09Å; A1568-I1570 HydrophobicContact CB-CD1 3.96Å; A1568-I1570 HydrophobicContact CB-CG1 4.02Å; A1568-I1570 PolarHBondContact O-N 3.04Å; A1568-I1570 VanDerWaalsContact O-N 3.11Å; A1568-K1573 VanDerWaalsContact O-CE 3.3Å; A1568-K1573 WeakPolarHBondContact O-CE 3.47Å; A1568-K1573 PolarHBondContact O-NZ 2.77Å |
| 1569 | D | 87.8 | Confident | 86.2 | Confident | 45 Ų | 45 | 34.8 Ų | 34.8 | 24% | 0.241 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 27.3 | 179.4 | -61.5 | -19.5 | 0 | 0 | 0 | 114.8 | V1566 A1571 R1572 K1573 H1620 | V1566-D1569 PolarHBondContact O-N 3.34Å; V1566-D1569 VanDerWaalsContact O-N 3.17Å; D1569-A1571 VanDerWaalsContact C-N 3.26Å; D1569-A1571 PolarHBondContact O-N 2.64Å; D1569-A1571 VanDerWaalsContact O-N 3.17Å; D1569-R1572 HydrophobicContact CB-CB 4.42Å; D1569-R1572 PolarHBondContact O-N 3.22Å; D1569-K1573 PolarHBondContact O-N 3.49Å; D1569-H1620 IonicContact OD1-CE1 3.31Å; D1569-H1620 IonicContact OD1-CG 3.05Å; D1569-H1620 IonicContact OD1-ND1 2.71Å; D1569-H1620 PolarHBondContact OD1-ND1 2.94Å |
| 1570 | I | 90.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.6 | -38.6 | -170.8 | -60.9 | -53.8 | 0 | 0 | 0 | 112 | F1500 Y1556 V1565 A1568 R1572 K1573 I1574 | F1500-I1570 HydrophobicContact CB-CD1 3.78Å; F1500-I1570 HydrophobicContact CB-CG1 4.4Å; F1500-I1570 HydrophobicContact CB-CG2 4.07Å; F1500-I1570 HydrophobicContact CD1-CG2 3.64Å; F1500-I1570 HydrophobicContact CD2-CD1 4.26Å; F1500-I1570 HydrophobicContact CD2-CG1 4.05Å; F1500-I1570 HydrophobicContact CD2-CG2 3.87Å; F1500-I1570 HydrophobicContact CE1-CG2 3.98Å; F1500-I1570 HydrophobicContact CE2-CG2 4.19Å; F1500-I1570 HydrophobicContact CG-CD1 4.21Å; F1500-I1570 HydrophobicContact CG-CG1 4.3Å; F1500-I1570 HydrophobicContact CG-CG2 3.58Å; F1500-I1570 HydrophobicContact CZ-CG2 4.23Å; Y1556-I1570 HydrophobicContact CD2-CG2 4.02Å; Y1556-I1570 HydrophobicContact CE2-CG2 4.42Å; V1565-I1570 HydrophobicContact CG1-CB 4.04Å; V1565-I1570 HydrophobicContact CG1-CG1 4.04Å; V1565-I1570 HydrophobicContact CG1-CG2 4.33Å; V1565-I1570 WeakPolarHBondContact O-CG1 3.36Å; A1568-I1570 HydrophobicContact CB-CD1 3.96Å; A1568-I1570 HydrophobicContact CB-CG1 4.02Å; A1568-I1570 PolarHBondContact O-N 3.04Å; A1568-I1570 VanDerWaalsContact O-N 3.11Å; I1570-R1572 PolarHBondContact O-N 2.56Å; I1570-K1573 HydrophobicContact CD1-CD 4.06Å; I1570-K1573 PolarHBondContact O-N 2.71Å; I1570-I1574 HydrophobicContact CG2-CD1 3.8Å; I1570-I1574 HydrophobicContact CG2-CG1 4.4Å; I1570-I1574 VanDerWaalsContact O-CG1 3.23Å; I1570-I1574 WeakPolarHBondContact O-CG1 3.33Å; I1570-I1574 PolarHBondContact O-N 2.77Å; I1570-I1574 VanDerWaalsContact O-N 3.1Å |
| 1571 | A | 87.5 | Confident | 85.9 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56 | -50.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1556 D1569 I1574 F1575 T1608 | Y1556-A1571 HydrophobicContact CE2-CB 4.24Å; Y1556-A1571 WeakPolarHBondContact OH-CB 3.42Å; D1569-A1571 VanDerWaalsContact C-N 3.26Å; D1569-A1571 PolarHBondContact O-N 2.64Å; D1569-A1571 VanDerWaalsContact O-N 3.17Å; A1571-I1574 PolarHBondContact O-N 2.91Å; A1571-F1575 WeakPolarHBondContact O-CD2 3.23Å; A1571-F1575 PolarHBondContact O-N 3.14Å; A1571-T1608 HydrophobicContact CB-CG2 4.2Å |
| 1572 | R | 90.9 | Very high | 85.9 | Confident | 57 Ų | 57 | 32.9 Ų | 32.9 | 22% | 0.215 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -47.5 | -179.8 | -168.2 | -168.8 | 65.5 | 64.7 | 9.9 | 111.1 | D1569 I1570 I1574 F1575 E1576 T1623 E1627 | D1569-R1572 HydrophobicContact CB-CB 4.42Å; D1569-R1572 PolarHBondContact O-N 3.22Å; I1570-R1572 PolarHBondContact O-N 2.56Å; R1572-I1574 PolarHBondContact O-N 2.93Å; R1572-F1575 PolarHBondContact O-N 3.37Å; R1572-E1576 IonicContact CZ-OE2 2.77Å; R1572-E1576 IonicContact NH1-OE2 3.73Å; R1572-E1576 PolarHBondContact NH1-OE2 2.96Å; R1572-E1576 IonicContact NH2-OE2 3.89Å; R1572-E1576 WeakPolarHBondContact O-CB 3.18Å; R1572-E1576 PolarHBondContact O-N 3.43Å; R1572-T1623 VanDerWaalsContact CD-O 3.29Å; R1572-T1623 WeakPolarHBondContact CD-O 3.47Å; R1572-T1623 WeakPolarHBondContact CD-OG1 3.44Å; R1572-T1623 WeakPolarHBondContact CG-O 3.27Å; R1572-E1627 WeakPolarHBondContact CD-OE1 3.19Å; R1572-E1627 VanDerWaalsContact CG-CD 3.43Å; R1572-E1627 HydrophobicContact CG-CG 4.31Å; R1572-E1627 WeakPolarHBondContact CG-OE1 3.41Å; R1572-E1627 IonicContact CZ-OE1 3.18Å; R1572-E1627 IonicContact NE-OE1 3.85Å; R1572-E1627 IonicContact NH1-OE1 2.71Å; R1572-E1627 PolarHBondContact NH1-OE1 2.95Å |
| 1573 | K | 90.6 | Very high | 85.7 | Confident | 45 Ų | 45 | 36 Ų | 36 | 20% | 0.196 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -53.9 | -38.9 | 176.5 | -66.1 | -179.5 | -177.7 | 176 | 0 | 112.5 | D1501 L1504 A1568 D1569 I1570 R1577 | D1501-K1573 VanDerWaalsContact CG-NZ 3.28Å; D1501-K1573 WeakPolarHBondContact OD1-CD 3.44Å; D1501-K1573 IonicContact OD1-NZ 3.88Å; D1501-K1573 PolarHBondContact OD1-NZ 2.88Å; D1501-K1573 IonicContact OD2-NZ 2.9Å; D1501-K1573 PolarHBondContact OD2-NZ 3.2Å; L1504-K1573 HydrophobicContact CD1-CB 3.71Å; L1504-K1573 HydrophobicContact CD1-CD 4.11Å; A1568-K1573 VanDerWaalsContact O-CE 3.3Å; A1568-K1573 WeakPolarHBondContact O-CE 3.47Å; A1568-K1573 PolarHBondContact O-NZ 2.77Å; D1569-K1573 PolarHBondContact O-N 3.49Å; I1570-K1573 HydrophobicContact CD1-CD 4.06Å; I1570-K1573 PolarHBondContact O-N 2.71Å; K1573-R1577 WeakPolarHBondContact O-CG 3.4Å; K1573-R1577 PolarHBondContact O-N 3.24Å |
| 1574 | I | 90.5 | Very high | 85.4 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.2 | -49.5 | 179.5 | -66.1 | 167.5 | 0 | 0 | 0 | 111.3 | L1504 L1552 Y1556 I1570 A1571 R1572 R1577 L1578 V1604 | L1504-I1574 HydrophobicContact CD2-CG1 4.17Å; L1552-I1574 HydrophobicContact CD1-CG1 4.25Å; L1552-I1574 HydrophobicContact CD2-CD1 3.92Å; L1552-I1574 HydrophobicContact CD2-CG1 3.91Å; L1552-I1574 HydrophobicContact CD2-CG2 3.92Å; L1552-I1574 HydrophobicContact CG-CD1 4.29Å; L1552-I1574 HydrophobicContact CG-CG1 4.39Å; Y1556-I1574 HydrophobicContact CD2-CD1 4.03Å; Y1556-I1574 HydrophobicContact CG-CD1 4.02Å; I1570-I1574 HydrophobicContact CG2-CD1 3.8Å; I1570-I1574 HydrophobicContact CG2-CG1 4.4Å; I1570-I1574 VanDerWaalsContact O-CG1 3.23Å; I1570-I1574 WeakPolarHBondContact O-CG1 3.33Å; I1570-I1574 PolarHBondContact O-N 2.77Å; I1570-I1574 VanDerWaalsContact O-N 3.1Å; A1571-I1574 PolarHBondContact O-N 2.91Å; R1572-I1574 PolarHBondContact O-N 2.93Å; I1574-R1577 PolarHBondContact O-N 2.78Å; I1574-L1578 HydrophobicContact CG2-CD1 3.83Å; I1574-L1578 HydrophobicContact CG2-CG 4.46Å; I1574-L1578 WeakPolarHBondContact O-CG 3.31Å; I1574-L1578 PolarHBondContact O-N 2.87Å; I1574-V1604 HydrophobicContact CG2-CG1 4.01Å; I1574-V1604 HydrophobicContact CG2-CG2 4.14Å |
| 1575 | F | 92.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.8 | -39.9 | 179 | -63.7 | -60.5 | 0 | 0 | 0 | 112.6 | A1571 R1572 R1577 L1578 A1579 F1601 V1604 A1605 T1608 E1627 V1628 C1631 | A1571-F1575 WeakPolarHBondContact O-CD2 3.23Å; A1571-F1575 PolarHBondContact O-N 3.14Å; R1572-F1575 PolarHBondContact O-N 3.37Å; F1575-R1577 PolarHBondContact O-N 3.18Å; F1575-L1578 HydrophobicContact CD1-CD1 4.46Å; F1575-L1578 PolarHBondContact O-N 3.01Å; F1575-A1579 PolarHBondContact O-N 3.36Å; F1575-F1601 AromaticContact CD1-CD2 3.85Å; F1575-F1601 HydrophobicContact CD1-CD2 3.85Å; F1575-F1601 HydrophobicContact CD1-CE2 4.11Å; F1575-F1601 AromaticContact CE1-CD2 3.88Å; F1575-F1601 HydrophobicContact CE1-CD2 3.88Å; F1575-F1601 HydrophobicContact CE1-CE2 4.08Å; F1575-V1604 HydrophobicContact CE1-CB 4.08Å; F1575-V1604 HydrophobicContact CE1-CG1 3.87Å; F1575-V1604 HydrophobicContact CE2-CG1 4.12Å; F1575-V1604 HydrophobicContact CZ-CB 4.11Å; F1575-V1604 HydrophobicContact CZ-CG1 3.53Å; F1575-A1605 HydrophobicContact CE1-CB 4.27Å; F1575-A1605 HydrophobicContact CZ-CB 4.3Å; F1575-T1608 HydrophobicContact CE2-CG2 4.43Å; F1575-E1627 HydrophobicContact CB-CB 3.61Å; F1575-V1628 HydrophobicContact CD1-CG2 3.87Å; F1575-V1628 HydrophobicContact CD2-CG2 3.54Å; F1575-V1628 HydrophobicContact CE1-CG2 3.84Å; F1575-V1628 HydrophobicContact CE2-CG2 3.5Å; F1575-V1628 HydrophobicContact CG-CG2 3.73Å; F1575-V1628 HydrophobicContact CZ-CG2 3.66Å; F1575-C1631 PolarHBondContact O-SG 2.94Å; F1575-C1631 VanDerWaalsContact O-SG 3.38Å |
| 1576 | E | 90.4 | Very high | 83.8 | Confident | 55 Ų | 55 | 40.1 Ų | 40.1 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -52.8 | -41.7 | 176.5 | -163.7 | -158.4 | 116.7 | 0 | 0 | 111.9 | R1572 E1627 | R1572-E1576 IonicContact CZ-OE2 2.77Å; R1572-E1576 IonicContact NH1-OE2 3.73Å; R1572-E1576 PolarHBondContact NH1-OE2 2.96Å; R1572-E1576 IonicContact NH2-OE2 3.89Å; R1572-E1576 WeakPolarHBondContact O-CB 3.18Å; R1572-E1576 PolarHBondContact O-N 3.43Å; E1576-E1627 HydrophobicContact CB-CG 4.03Å; E1576-E1627 HydrophobicContact CG-CG 4.38Å |
| 1577 | R | 88.7 | Confident | 82.7 | Confident | 85 Ų | 85 | 46.2 Ų | 46.2 | 32% | 0.321 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -87 | -27.4 | -179 | -56.3 | -64.1 | 152.5 | 116.4 | -1.1 | 112.8 | L1504 F1507 E1508 Y1511 K1573 I1574 F1575 P1581 | L1504-R1577 HydrophobicContact CD2-CG 4.5Å; F1507-R1577 HydrophobicContact CD1-CB 4.24Å; F1507-R1577 HydrophobicContact CE1-CB 4.02Å; E1508-R1577 IonicContact OE1-CZ 2.64Å; E1508-R1577 IonicContact OE1-NH1 3.11Å; E1508-R1577 PolarHBondContact OE1-NH1 2.81Å; Y1511-R1577 PolarHBondContact OH-O 3.4Å; K1573-R1577 WeakPolarHBondContact O-CG 3.4Å; K1573-R1577 PolarHBondContact O-N 3.24Å; I1574-R1577 PolarHBondContact O-N 2.78Å; F1575-R1577 PolarHBondContact O-N 3.18Å; R1577-P1581 WeakPolarHBondContact O-CD 3.42Å |
| 1578 | L | 88.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.9 | -32.8 | 170.4 | -80.5 | 171 | 0 | 0 | 0 | 113.2 | F1507 L1549 I1574 F1575 V1580 P1581 L1582 C1597 A1600 F1601 | F1507-L1578 HydrophobicContact CE1-CD2 4.45Å; F1507-L1578 HydrophobicContact CZ-CD2 3.96Å; L1549-L1578 HydrophobicContact CD1-CD2 4.04Å; L1549-L1578 HydrophobicContact CD2-CD2 4.38Å; I1574-L1578 HydrophobicContact CG2-CD1 3.83Å; I1574-L1578 HydrophobicContact CG2-CG 4.46Å; I1574-L1578 WeakPolarHBondContact O-CG 3.31Å; I1574-L1578 PolarHBondContact O-N 2.87Å; F1575-L1578 HydrophobicContact CD1-CD1 4.46Å; F1575-L1578 PolarHBondContact O-N 3.01Å; L1578-V1580 PolarHBondContact O-N 3.35Å; L1578-V1580 VanDerWaalsContact O-N 3.15Å; L1578-P1581 VanDerWaalsContact O-CD 3.28Å; L1578-P1581 WeakPolarHBondContact O-CD 3.35Å; L1578-L1582 HydrophobicContact CB-CD1 4.45Å; L1578-L1582 VanDerWaalsContact O-CG 3.28Å; L1578-L1582 WeakPolarHBondContact O-CG 3.27Å; L1578-L1582 PolarHBondContact O-N 3.1Å; L1578-C1597 HydrophobicContact CD2-CB 3.9Å; L1578-A1600 HydrophobicContact CD2-CB 4.2Å; L1578-F1601 HydrophobicContact CD1-CB 4.24Å |
| 1579 | A | 84.8 | Confident | 80.2 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.3 | -29.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F1575 K1583 Q1630 N1634 | F1575-A1579 PolarHBondContact O-N 3.36Å; A1579-K1583 WeakPolarHBondContact O-CB 3.5Å; A1579-K1583 PolarHBondContact O-N 2.84Å; A1579-Q1630 HydrophobicContact CB-CG 4.39Å; A1579-N1634 PolarHBondContact O-ND2 3.15Å; A1579-N1634 VanDerWaalsContact O-ND2 3.11Å |
| 1580 | V | 82.5 | Confident | 78.9 | Confident | 62 Ų | 62 | 43.2 Ų | 43.2 | 38% | 0.376 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -70.5 | -59.9 | -177.9 | 179.4 | 0 | 0 | 0 | 0 | 112.7 | Y1511 L1578 L1582 K1583 L1584 | Y1511-V1580 HydrophobicContact CD2-CG1 3.92Å; Y1511-V1580 HydrophobicContact CE2-CB 4.22Å; Y1511-V1580 HydrophobicContact CE2-CG1 3.91Å; Y1511-V1580 HydrophobicContact CG-CG1 4.4Å; L1578-V1580 PolarHBondContact O-N 3.35Å; L1578-V1580 VanDerWaalsContact O-N 3.15Å; V1580-L1582 VanDerWaalsContact C-N 3.3Å; V1580-L1582 PolarHBondContact O-N 3.45Å; V1580-K1583 WeakPolarHBondContact O-CB 3.38Å; V1580-K1583 PolarHBondContact O-N 2.95Å; V1580-L1584 HydrophobicContact CG1-CD1 4.46Å; V1580-L1584 PolarHBondContact O-N 3Å |
| 1581 | P | 77.9 | Confident | 77.6 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.8 | -28.5 | 177.9 | 24.3 | -33.2 | 0 | 0 | 0 | 113.4 | F1507 Y1511 R1577 L1578 K1583 L1584 K1585 C1597 | F1507-P1581 HydrophobicContact CZ-CG 3.84Å; Y1511-P1581 HydrophobicContact CD1-CB 4.45Å; Y1511-P1581 HydrophobicContact CD1-CG 4.32Å; Y1511-P1581 HydrophobicContact CE1-CG 4.12Å; R1577-P1581 WeakPolarHBondContact O-CD 3.42Å; L1578-P1581 VanDerWaalsContact O-CD 3.28Å; L1578-P1581 WeakPolarHBondContact O-CD 3.35Å; P1581-K1583 VanDerWaalsContact C-N 3.34Å; P1581-K1583 PolarHBondContact O-N 3.36Å; P1581-L1584 CarbonylContact O-C 3.59Å; P1581-L1584 WeakPolarHBondContact O-CA 3.34Å; P1581-L1584 PolarHBondContact O-N 3.5Å; P1581-K1585 PolarHBondContact O-N 3.3Å; P1581-C1597 HydrophobicContact CG-CB 4.3Å; P1581-C1597 WeakPolarHBondContact CG-SG 3.43Å |
| 1582 | L | 82.6 | Confident | 76.8 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 172.3 | -72.4 | 174.3 | 0 | 0 | 0 | 112 | L1578 V1580 L1584 K1585 C1597 V1598 F1601 C1631 F1635 | L1578-L1582 HydrophobicContact CB-CD1 4.45Å; L1578-L1582 VanDerWaalsContact O-CG 3.28Å; L1578-L1582 WeakPolarHBondContact O-CG 3.27Å; L1578-L1582 PolarHBondContact O-N 3.1Å; V1580-L1582 VanDerWaalsContact C-N 3.3Å; V1580-L1582 PolarHBondContact O-N 3.45Å; L1582-L1584 PolarHBondContact O-N 2.58Å; L1582-K1585 PolarHBondContact O-N 3.03Å; L1582-C1597 HydrophobicContact CD2-CB 4.06Å; L1582-C1597 HydrophobicContact CG-CB 4.29Å; L1582-V1598 HydrophobicContact CD2-CB 3.85Å; L1582-F1601 HydrophobicContact CD1-CB 4.32Å; L1582-F1601 HydrophobicContact CD1-CG 4.45Å; L1582-C1631 HydrophobicContact CD1-CB 3.78Å; L1582-F1635 HydrophobicContact CB-CB 4.33Å; L1582-F1635 HydrophobicContact CD2-CB 4.42Å; L1582-F1635 HydrophobicContact CD2-CD2 3.79Å; L1582-F1635 HydrophobicContact CD2-CE2 4.41Å; L1582-F1635 HydrophobicContact CD2-CG 4.26Å |
| 1583 | K | 80.6 | Confident | 76.2 | Confident | 119 Ų | 119 | 51.1 Ų | 51.1 | 52% | 0.517 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.2 | -22.8 | 172 | -164.4 | 176.8 | -176.6 | 170.9 | 0 | 113.1 | A1579 V1580 P1581 N1634 T1638 | A1579-K1583 WeakPolarHBondContact O-CB 3.5Å; A1579-K1583 PolarHBondContact O-N 2.84Å; V1580-K1583 WeakPolarHBondContact O-CB 3.38Å; V1580-K1583 PolarHBondContact O-N 2.95Å; P1581-K1583 VanDerWaalsContact C-N 3.34Å; P1581-K1583 PolarHBondContact O-N 3.36Å; K1583-N1634 HydrophobicContact CB-CB 3.88Å; K1583-N1634 WeakPolarHBondContact CD-OD1 3.37Å; K1583-N1634 HydrophobicContact CG-CB 4.24Å; K1583-T1638 WeakPolarHBondContact O-CG2 3.44Å |
| 1584 | L | 72.6 | Confident | 75.5 | Confident | 57 Ų | 57 | 50.1 Ų | 50.1 | 30% | 0.298 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 21.4 | -179 | -61.9 | 174.1 | 0 | 0 | 0 | 113.2 | V1580 P1581 L1582 R1586 Q1587 C1588 | V1580-L1584 HydrophobicContact CG1-CD1 4.46Å; V1580-L1584 PolarHBondContact O-N 3Å; P1581-L1584 CarbonylContact O-C 3.59Å; P1581-L1584 WeakPolarHBondContact O-CA 3.34Å; P1581-L1584 PolarHBondContact O-N 3.5Å; L1582-L1584 PolarHBondContact O-N 2.58Å; L1584-R1586 PolarHBondContact O-N 3.07Å; L1584-Q1587 HydrophobicContact CD2-CB 4.4Å; L1584-Q1587 PolarHBondContact O-N 3.35Å; L1584-C1588 PolarHBondContact O-N 3.49Å |
| 1585 | K | 70 | Confident | 75 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -20.1 | -175.9 | 70.7 | 177.2 | -170.7 | -178.6 | 0 | 116.4 | P1581 L1582 F1635 L1636 T1638 L1656 E1660 | P1581-K1585 PolarHBondContact O-N 3.3Å; L1582-K1585 PolarHBondContact O-N 3.03Å; K1585-F1635 HydrophobicContact CB-CE2 4.44Å; K1585-F1635 HydrophobicContact CD-CD2 4.04Å; K1585-F1635 HydrophobicContact CD-CE2 4.09Å; K1585-F1635 WeakPolarHBondContact CD-O 3.45Å; K1585-F1635 WeakPolarHBondContact CE-O 3.32Å; K1585-F1635 PolarHBondContact NZ-O 3.3Å; K1585-L1636 PolarHBondContact NZ-O 3.23Å; K1585-T1638 WeakPolarHBondContact CE-OG1 3.29Å; K1585-L1656 HydrophobicContact CD-CD1 4.31Å; K1585-E1660 IonicContact NZ-OE1 3.61Å; K1585-E1660 PolarHBondContact NZ-OE1 3.47Å |
| 1586 | R | 61.9 | Low | 74.6 | Confident | 134 Ų | 134 | 54.4 Ų | 54.4 | 51% | 0.506 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 2.4 | 175.9 | -70.1 | 175.4 | -175.2 | 152.6 | 4.7 | 114.7 | L1584 N1640 | L1584-R1586 PolarHBondContact O-N 3.07Å; R1586-N1640 WeakPolarHBondContact CD-OD1 3.46Å; R1586-N1640 PolarHBondContact NH1-ND2 3.41Å; R1586-N1640 PolarHBondContact NH1-OD1 2.94Å |
| 1587 | Q | 59.8 | Low | 74.4 | Confident | 134 Ų | 134 | 51.8 Ų | 51.8 | 63% | 0.626 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.7 | -3.5 | -174.6 | -67.3 | -177.6 | -7.5 | 0 | 0 | 114 | L1584 | L1584-Q1587 HydrophobicContact CD2-CB 4.4Å; L1584-Q1587 PolarHBondContact O-N 3.35Å |
| 1588 | C | 57.5 | Low | 74.3 | Confident | 33 Ų | 33 | 47.7 Ų | 47.7 | 22% | 0.223 | 24% | 0.239 | C | C | . | . | trans | -63.7 | 142.5 | 179.6 | -164.5 | 0 | 0 | 0 | 0 | 112.5 | L1584 | L1584-C1588 PolarHBondContact O-N 3.49Š| ||
| 1589 | S | 57.1 | Low | 74.2 | Confident | 83 Ų | 83 | 51.7 Ų | 51.7 | 58% | 0.58 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -68 | -39 | -179.8 | 45 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1590 | S | 60 | Low | 74.3 | Confident | 20 Ų | 20 | 51.9 Ų | 51.9 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -85.9 | 133.2 | 168.4 | 167.5 | 0 | 0 | 0 | 0 | 110.7 | E1546 N1592 M1593 | E1546-S1590 WeakPolarHBondContact OE1-CB 3.31Å; E1546-S1590 PolarHBondContact OE1-OG 3.15Å; S1590-N1592 PolarHBondContact O-N 2.96Å; S1590-N1592 PolarHBondContact OG-N 3.21Å; S1590-M1593 PolarHBondContact OG-N 3.46Å; S1590-M1593 VanDerWaalsContact OG-N 3.09Å |
| 1591 | K | 63.1 | Low | 74.8 | Confident | 146 Ų | 146 | 49 Ų | 49 | 64% | 0.635 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14 | 170.7 | -72.8 | -163.5 | 167.6 | -148.9 | 0 | 113.9 | K1595 E1652 | K1591-K1595 VanDerWaalsContact O-CE 3.28Å; K1591-K1595 WeakPolarHBondContact O-CE 3.45Å; K1591-K1595 PolarHBondContact O-NZ 3.49Å; K1591-E1652 IonicContact NZ-OE2 2.7Å |
| 1592 | N | 72.1 | Confident | 75.3 | Confident | 82 Ų | 82 | 49.4 Ų | 49.4 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -25.9 | -175.3 | -70.5 | -12.3 | 0 | 0 | 0 | 113.7 | S1590 W1594 K1595 C1596 | S1590-N1592 PolarHBondContact O-N 2.96Å; S1590-N1592 PolarHBondContact OG-N 3.21Å; N1592-W1594 VanDerWaalsContact C-N 3.3Å; N1592-W1594 PolarHBondContact O-N 3.01Å; N1592-W1594 VanDerWaalsContact O-N 3.16Å; N1592-K1595 WeakPolarHBondContact O-CA 3.37Å; N1592-K1595 VanDerWaalsContact O-CB 3.23Å; N1592-K1595 WeakPolarHBondContact O-CB 3.14Å; N1592-K1595 PolarHBondContact O-N 3.27Å; N1592-K1595 PolarHBondContact OD1-NZ 3.47Å; N1592-C1596 PolarHBondContact O-N 3.38Å; N1592-C1596 PolarHBondContact O-SG 3.32Å |
| 1593 | M | 77.6 | Confident | 75.6 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.5 | -38.5 | -172.6 | 179.8 | 48 | 123.2 | 0 | 0 | 113.5 | F1507 A1510 A1545 E1546 L1549 S1590 K1595 C1596 C1597 | F1507-M1593 HydrophobicContact CD2-CE 3.69Å; F1507-M1593 HydrophobicContact CE2-CE 3.6Å; F1507-M1593 HydrophobicContact CE2-SD 4.13Å; A1510-M1593 HydrophobicContact CB-CE 3.47Å; A1510-M1593 VanDerWaalsContact CB-CE 3.47Å; A1510-M1593 HydrophobicContact CB-CG 4.16Å; A1545-M1593 VanDerWaalsContact C-CE 3.5Å; A1545-M1593 HydrophobicContact CB-CE 3.62Å; E1546-M1593 HydrophobicContact CG-CB 4.09Å; E1546-M1593 HydrophobicContact CG-CE 3.99Å; E1546-M1593 HydrophobicContact CG-CG 4.39Å; E1546-M1593 HydrophobicContact CG-SD 3.62Å; E1546-M1593 WeakPolarHBondContact OE1-CA 3.37Å; E1546-M1593 PolarHBondContact OE1-N 3.04Å; E1546-M1593 VanDerWaalsContact OE1-N 3.15Å; L1549-M1593 HydrophobicContact CD2-SD 4.4Å; S1590-M1593 PolarHBondContact OG-N 3.46Å; S1590-M1593 VanDerWaalsContact OG-N 3.09Å; M1593-K1595 VanDerWaalsContact C-N 3.29Å; M1593-K1595 PolarHBondContact O-N 2.92Å; M1593-C1596 WeakPolarHBondContact O-CB 3.32Å; M1593-C1596 PolarHBondContact O-N 3.09Å; M1593-C1596 HydrophobicContact SD-CB 4.28Å; M1593-C1597 WeakPolarHBondContact O-CB 3.46Å; M1593-C1597 PolarHBondContact O-N 2.99Å; M1593-C1597 PolarHBondContact O-SG 3.4Å; M1593-C1597 VanDerWaalsContact SD-SG 3.61Å |
| 1594 | W | 76.5 | Confident | 76 | Confident | 23 Ų | 23 | 46 Ų | 46 | 9% | 0.087 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.4 | -31.4 | 174.7 | 72.6 | -98.7 | 0 | 0 | 0 | 113.1 | N1592 C1597 V1598 F1635 L1656 M1659 | N1592-W1594 VanDerWaalsContact C-N 3.3Å; N1592-W1594 PolarHBondContact O-N 3.01Å; N1592-W1594 VanDerWaalsContact O-N 3.16Å; W1594-C1597 PolarHBondContact O-N 2.74Å; W1594-V1598 PolarHBondContact O-N 2.83Å; W1594-F1635 HydrophobicContact CE3-CE2 4.03Å; W1594-F1635 HydrophobicContact CZ3-CE2 4.17Å; W1594-F1635 HydrophobicContact CZ3-CZ 4.25Å; W1594-L1656 HydrophobicContact CH2-CB 4.22Å; W1594-L1656 HydrophobicContact CH2-CD1 3.58Å; W1594-L1656 HydrophobicContact CH2-CG 4.46Å; W1594-L1656 HydrophobicContact CZ2-CD1 4.35Å; W1594-L1656 HydrophobicContact CZ3-CD1 3.68Å; W1594-M1659 HydrophobicContact CZ3-SD 4.42Å |
| 1595 | K | 79.9 | Confident | 76.8 | Confident | 52 Ų | 52 | 43.2 Ų | 43.2 | 23% | 0.226 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.2 | -42 | 175.3 | -53.6 | 171.9 | -178.3 | 144.9 | 0 | 110 | K1591 N1592 M1593 V1598 T1599 E1652 | K1591-K1595 VanDerWaalsContact O-CE 3.28Å; K1591-K1595 WeakPolarHBondContact O-CE 3.45Å; K1591-K1595 PolarHBondContact O-NZ 3.49Å; N1592-K1595 WeakPolarHBondContact O-CA 3.37Å; N1592-K1595 VanDerWaalsContact O-CB 3.23Å; N1592-K1595 WeakPolarHBondContact O-CB 3.14Å; N1592-K1595 PolarHBondContact O-N 3.27Å; N1592-K1595 PolarHBondContact OD1-NZ 3.47Å; M1593-K1595 VanDerWaalsContact C-N 3.29Å; M1593-K1595 PolarHBondContact O-N 2.92Å; K1595-V1598 WeakPolarHBondContact O-CG1 3.34Å; K1595-T1599 WeakPolarHBondContact O-CB 3.47Å; K1595-T1599 PolarHBondContact O-N 2.98Å; K1595-T1599 VanDerWaalsContact O-N 3.09Å; K1595-T1599 PolarHBondContact O-OG1 2.83Å; K1595-E1652 IonicContact NZ-OE1 3.85Å; K1595-E1652 PolarHBondContact NZ-OE1 2.85Å |
| 1596 | C | 82.1 | Confident | 77.8 | Confident | 40 Ų | 40 | 48 Ų | 48 | 27% | 0.27 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 171.8 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | E1546 L1549 N1592 M1593 T1599 A1600 | E1546-C1596 HydrophobicContact CG-CB 4.38Å; L1549-C1596 HydrophobicContact CD2-CB 4.28Å; N1592-C1596 PolarHBondContact O-N 3.38Å; N1592-C1596 PolarHBondContact O-SG 3.32Å; M1593-C1596 WeakPolarHBondContact O-CB 3.32Å; M1593-C1596 PolarHBondContact O-N 3.09Å; M1593-C1596 HydrophobicContact SD-CB 4.28Å; C1596-T1599 PolarHBondContact O-N 3.46Å; C1596-A1600 VanDerWaalsContact O-CB 3.27Å; C1596-A1600 WeakPolarHBondContact O-CB 3.43Å; C1596-A1600 PolarHBondContact O-N 3.15Å |
| 1597 | C | 86.4 | Confident | 79 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.9 | -43.1 | 178.5 | -67.8 | 0 | 0 | 0 | 0 | 113.3 | L1578 P1581 L1582 M1593 W1594 A1600 F1601 | L1578-C1597 HydrophobicContact CD2-CB 3.9Å; P1581-C1597 HydrophobicContact CG-CB 4.3Å; P1581-C1597 WeakPolarHBondContact CG-SG 3.43Å; L1582-C1597 HydrophobicContact CD2-CB 4.06Å; L1582-C1597 HydrophobicContact CG-CB 4.29Å; M1593-C1597 WeakPolarHBondContact O-CB 3.46Å; M1593-C1597 PolarHBondContact O-N 2.99Å; M1593-C1597 PolarHBondContact O-SG 3.4Å; M1593-C1597 VanDerWaalsContact SD-SG 3.61Å; W1594-C1597 PolarHBondContact O-N 2.74Å; C1597-A1600 PolarHBondContact O-N 2.57Å; C1597-F1601 WeakPolarHBondContact O-CB 3.07Å; C1597-F1601 PolarHBondContact O-N 3.11Å |
| 1598 | V | 86.5 | Confident | 80.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.2 | -36.9 | 176.6 | 66.5 | 0 | 0 | 0 | 0 | 111.6 | L1582 W1594 K1595 A1600 F1601 L1602 F1635 M1659 V1663 | L1582-V1598 HydrophobicContact CD2-CB 3.85Å; W1594-V1598 PolarHBondContact O-N 2.83Å; K1595-V1598 WeakPolarHBondContact O-CG1 3.34Å; V1598-A1600 PolarHBondContact O-N 3.2Å; V1598-F1601 PolarHBondContact O-N 3.27Å; V1598-L1602 VanDerWaalsContact O-CG 3.31Å; V1598-L1602 WeakPolarHBondContact O-CG 3.43Å; V1598-L1602 PolarHBondContact O-N 2.85Å; V1598-F1635 HydrophobicContact CB-CE2 4.35Å; V1598-F1635 HydrophobicContact CB-CZ 4.29Å; V1598-F1635 HydrophobicContact CG1-CZ 4.42Å; V1598-F1635 HydrophobicContact CG2-CD1 4.29Å; V1598-F1635 HydrophobicContact CG2-CE1 3.91Å; V1598-F1635 HydrophobicContact CG2-CE2 4.44Å; V1598-F1635 HydrophobicContact CG2-CZ 4Å; V1598-M1659 HydrophobicContact CG1-CE 3.58Å; V1598-M1659 HydrophobicContact CG1-SD 3.7Å; V1598-V1663 HydrophobicContact CG2-CG2 3.77Å |
| 1599 | T | 86.8 | Confident | 81.8 | Confident | 83 Ų | 83 | 35.5 Ų | 35.5 | 51% | 0.509 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 174.2 | -51.9 | 0 | 0 | 0 | 0 | 111.5 | K1595 C1596 L1602 S1603 | K1595-T1599 WeakPolarHBondContact O-CB 3.47Å; K1595-T1599 PolarHBondContact O-N 2.98Å; K1595-T1599 VanDerWaalsContact O-N 3.09Å; K1595-T1599 PolarHBondContact O-OG1 2.83Å; C1596-T1599 PolarHBondContact O-N 3.46Å; T1599-L1602 PolarHBondContact O-N 3.16Å; T1599-S1603 PolarHBondContact O-N 2.87Å |
| 1600 | A | 87.7 | Confident | 83.1 | Confident | 6 Ų | 6 | 33.8 Ų | 33.8 | 5% | 0.05 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63 | -46.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1549 V1553 L1578 C1596 C1597 V1598 L1602 S1603 V1604 | L1549-A1600 HydrophobicContact CD1-CB 3.83Å; L1549-A1600 HydrophobicContact CD2-CB 3.76Å; L1549-A1600 HydrophobicContact CG-CB 3.83Å; V1553-A1600 HydrophobicContact CG2-CB 3.53Å; L1578-A1600 HydrophobicContact CD2-CB 4.2Å; C1596-A1600 VanDerWaalsContact O-CB 3.27Å; C1596-A1600 WeakPolarHBondContact O-CB 3.43Å; C1596-A1600 PolarHBondContact O-N 3.15Å; C1597-A1600 PolarHBondContact O-N 2.57Å; V1598-A1600 PolarHBondContact O-N 3.2Å; A1600-L1602 PolarHBondContact O-N 3.1Å; A1600-S1603 PolarHBondContact O-N 3.48Å; A1600-S1603 VanDerWaalsContact O-N 3.15Å; A1600-V1604 WeakPolarHBondContact O-CG2 3.46Å; A1600-V1604 PolarHBondContact O-N 3.33Å |
| 1601 | F | 92.1 | Very high | 84.1 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55 | -50.6 | 174.8 | 168.2 | -100.1 | 0 | 0 | 0 | 111.7 | F1575 L1578 L1582 C1597 V1598 S1603 V1604 A1605 V1628 C1631 I1632 V1663 L1666 | F1575-F1601 AromaticContact CD1-CD2 3.85Å; F1575-F1601 HydrophobicContact CD1-CD2 3.85Å; F1575-F1601 HydrophobicContact CD1-CE2 4.11Å; F1575-F1601 AromaticContact CE1-CD2 3.88Å; F1575-F1601 HydrophobicContact CE1-CD2 3.88Å; F1575-F1601 HydrophobicContact CE1-CE2 4.08Å; L1578-F1601 HydrophobicContact CD1-CB 4.24Å; L1582-F1601 HydrophobicContact CD1-CB 4.32Å; L1582-F1601 HydrophobicContact CD1-CG 4.45Å; C1597-F1601 WeakPolarHBondContact O-CB 3.07Å; C1597-F1601 PolarHBondContact O-N 3.11Å; V1598-F1601 PolarHBondContact O-N 3.27Å; F1601-S1603 VanDerWaalsContact C-N 3.29Å; F1601-S1603 PolarHBondContact O-N 3.18Å; F1601-V1604 PolarHBondContact O-N 2.92Å; F1601-A1605 HydrophobicContact CE2-CB 4.49Å; F1601-A1605 HydrophobicContact CZ-CB 4.47Å; F1601-A1605 WeakPolarHBondContact O-CB 3.31Å; F1601-A1605 PolarHBondContact O-N 3.41Å; F1601-V1628 HydrophobicContact CE2-CG1 4.08Å; F1601-V1628 HydrophobicContact CZ-CG1 4.14Å; F1601-C1631 HydrophobicContact CD2-CB 3.62Å; F1601-C1631 HydrophobicContact CE2-CB 3.48Å; F1601-C1631 VanDerWaalsContact CE2-CB 3.48Å; F1601-C1631 HydrophobicContact CG-CB 4.43Å; F1601-C1631 HydrophobicContact CZ-CB 4.2Å; F1601-I1632 HydrophobicContact CE1-CG1 4.06Å; F1601-I1632 HydrophobicContact CZ-CD1 4.1Å; F1601-I1632 HydrophobicContact CZ-CG1 3.58Å; F1601-V1663 HydrophobicContact CE1-CG1 4.47Å; F1601-L1666 HydrophobicContact CE1-CD2 4.08Å; F1601-L1666 HydrophobicContact CZ-CD2 4.46Å |
| 1602 | L | 88.9 | Confident | 85.1 | Confident | 10 Ų | 10 | 26.3 Ų | 26.3 | 5% | 0.052 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59 | -39.3 | 177.1 | -69.2 | 175.6 | 0 | 0 | 0 | 111.9 | V1598 T1599 A1600 R1606 E1662 V1663 L1666 | V1598-L1602 VanDerWaalsContact O-CG 3.31Å; V1598-L1602 WeakPolarHBondContact O-CG 3.43Å; V1598-L1602 PolarHBondContact O-N 2.85Å; T1599-L1602 PolarHBondContact O-N 3.16Å; A1600-L1602 PolarHBondContact O-N 3.1Å; L1602-R1606 VanDerWaalsContact O-CD 3.31Å; L1602-R1606 WeakPolarHBondContact O-CD 3.35Å; L1602-R1606 WeakPolarHBondContact O-CG 3.29Å; L1602-R1606 PolarHBondContact O-N 3.3Å; L1602-E1662 HydrophobicContact CD1-CB 4.24Å; L1602-V1663 HydrophobicContact CD2-CG2 4.15Å; L1602-L1666 HydrophobicContact CD2-CB 3.93Å; L1602-L1666 HydrophobicContact CD2-CD2 3.83Å; L1602-L1666 HydrophobicContact CD2-CG 4.34Å |
| 1603 | S | 88.8 | Confident | 85.5 | Confident | 47 Ų | 47 | 27.3 Ų | 27.3 | 33% | 0.329 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -70.9 | -49.4 | 179 | -173.7 | 0 | 0 | 0 | 0 | 112.8 | V1553 T1599 A1600 F1601 R1606 V1607 | V1553-S1603 VanDerWaalsContact CG1-OG 3.31Å; V1553-S1603 WeakPolarHBondContact CG1-OG 3.37Å; T1599-S1603 PolarHBondContact O-N 2.87Å; A1600-S1603 PolarHBondContact O-N 3.48Å; A1600-S1603 VanDerWaalsContact O-N 3.15Å; F1601-S1603 VanDerWaalsContact C-N 3.29Å; F1601-S1603 PolarHBondContact O-N 3.18Å; S1603-R1606 WeakPolarHBondContact O-CB 3.45Å; S1603-R1606 PolarHBondContact O-N 3.21Å; S1603-V1607 WeakPolarHBondContact O-CG2 3.21Å; S1603-V1607 PolarHBondContact O-N 3.12Å |
| 1604 | V | 89.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.7 | -41.6 | -179.3 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | V1553 Y1556 I1574 F1575 A1600 F1601 R1606 V1607 T1608 | V1553-V1604 HydrophobicContact CB-CG2 4.49Å; V1553-V1604 HydrophobicContact CG1-CG2 4.33Å; V1553-V1604 HydrophobicContact CG2-CG2 3.95Å; Y1556-V1604 HydrophobicContact CD1-CG1 3.8Å; Y1556-V1604 HydrophobicContact CD1-CG2 4.48Å; Y1556-V1604 HydrophobicContact CE1-CG1 3.72Å; I1574-V1604 HydrophobicContact CG2-CG1 4.01Å; I1574-V1604 HydrophobicContact CG2-CG2 4.14Å; F1575-V1604 HydrophobicContact CE1-CB 4.08Å; F1575-V1604 HydrophobicContact CE1-CG1 3.87Å; F1575-V1604 HydrophobicContact CE2-CG1 4.12Å; F1575-V1604 HydrophobicContact CZ-CB 4.11Å; F1575-V1604 HydrophobicContact CZ-CG1 3.53Å; A1600-V1604 WeakPolarHBondContact O-CG2 3.46Å; A1600-V1604 PolarHBondContact O-N 3.33Å; F1601-V1604 PolarHBondContact O-N 2.92Å; V1604-R1606 VanDerWaalsContact C-N 3.31Å; V1604-R1606 PolarHBondContact O-N 3.48Å; V1604-V1607 PolarHBondContact O-N 3.46Å; V1604-V1607 VanDerWaalsContact O-N 3.12Å; V1604-T1608 PolarHBondContact O-N 2.92Å; V1604-T1608 PolarHBondContact O-OG1 3.14Å; V1604-T1608 VanDerWaalsContact O-OG1 3.08Å |
| 1605 | A | 88.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.2 | -42.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1575 F1601 T1608 L1609 L1666 | F1575-A1605 HydrophobicContact CE1-CB 4.27Å; F1575-A1605 HydrophobicContact CZ-CB 4.3Å; F1601-A1605 HydrophobicContact CE2-CB 4.49Å; F1601-A1605 HydrophobicContact CZ-CB 4.47Å; F1601-A1605 WeakPolarHBondContact O-CB 3.31Å; F1601-A1605 PolarHBondContact O-N 3.41Å; A1605-T1608 PolarHBondContact O-N 3.24Å; A1605-L1609 WeakPolarHBondContact O-CB 3.04Å; A1605-L1609 WeakPolarHBondContact O-CD1 3.32Å; A1605-L1609 PolarHBondContact O-N 2.99Å; A1605-L1666 HydrophobicContact CB-CD2 3.93Å |
| 1606 | R | 90.2 | Very high | 85.2 | Confident | 111 Ų | 111 | 37.4 Ų | 37.4 | 42% | 0.419 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 174.4 | -74 | 169.8 | 165.4 | 132.5 | 9.4 | 112.6 | L1602 S1603 V1604 L1609 A1610 L1666 E1670 | L1602-R1606 VanDerWaalsContact O-CD 3.31Å; L1602-R1606 WeakPolarHBondContact O-CD 3.35Å; L1602-R1606 WeakPolarHBondContact O-CG 3.29Å; L1602-R1606 PolarHBondContact O-N 3.3Å; S1603-R1606 WeakPolarHBondContact O-CB 3.45Å; S1603-R1606 PolarHBondContact O-N 3.21Å; V1604-R1606 VanDerWaalsContact C-N 3.31Å; V1604-R1606 PolarHBondContact O-N 3.48Å; R1606-L1609 PolarHBondContact O-N 2.7Å; R1606-A1610 WeakPolarHBondContact O-CB 3.39Å; R1606-A1610 PolarHBondContact O-N 3.31Å; R1606-L1666 HydrophobicContact CG-CD1 3.99Å; R1606-E1670 IonicContact CZ-OE1 2.69Å; R1606-E1670 VanDerWaalsContact CZ-OE1 3.29Å; R1606-E1670 IonicContact NE-OE1 3.9Å; R1606-E1670 PolarHBondContact NE-OE1 3.19Å; R1606-E1670 IonicContact NE-OE2 2.72Å; R1606-E1670 IonicContact NH2-OE1 3.02Å; R1606-E1670 PolarHBondContact NH2-OE1 3.38Å |
| 1607 | V | 87.5 | Confident | 84.5 | Confident | 36 Ų | 36 | 43.7 Ų | 43.7 | 22% | 0.218 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.8 | -44.8 | 178.7 | 175 | 0 | 0 | 0 | 0 | 111.1 | Y1556 A1560 S1603 V1604 A1610 A1611 | Y1556-V1607 HydrophobicContact CD1-CB 4.18Å; Y1556-V1607 HydrophobicContact CD1-CG1 3.79Å; Y1556-V1607 HydrophobicContact CE1-CB 3.93Å; Y1556-V1607 HydrophobicContact CE1-CG1 3.53Å; A1560-V1607 HydrophobicContact CB-CG1 3.58Å; S1603-V1607 WeakPolarHBondContact O-CG2 3.21Å; S1603-V1607 PolarHBondContact O-N 3.12Å; V1604-V1607 PolarHBondContact O-N 3.46Å; V1604-V1607 VanDerWaalsContact O-N 3.12Å; V1607-A1610 WeakPolarHBondContact O-CB 3.35Å; V1607-A1610 PolarHBondContact O-N 3.14Å; V1607-A1611 PolarHBondContact O-N 2.9Å |
| 1608 | T | 88.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66 | -38.8 | 177.7 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | Y1556 A1571 F1575 V1604 A1605 A1611 C1612 W1625 | Y1556-T1608 WeakPolarHBondContact CE1-OG1 3.36Å; Y1556-T1608 PolarHBondContact OH-OG1 2.95Å; A1571-T1608 HydrophobicContact CB-CG2 4.2Å; F1575-T1608 HydrophobicContact CE2-CG2 4.43Å; V1604-T1608 PolarHBondContact O-N 2.92Å; V1604-T1608 PolarHBondContact O-OG1 3.14Å; V1604-T1608 VanDerWaalsContact O-OG1 3.08Å; A1605-T1608 PolarHBondContact O-N 3.24Å; T1608-A1611 PolarHBondContact O-N 3.1Å; T1608-C1612 PolarHBondContact O-N 3.22Å; T1608-C1612 PolarHBondContact O-SG 3.3Å; T1608-W1625 HydrophobicContact CG2-CH2 4.18Å; T1608-W1625 HydrophobicContact CG2-CZ2 4.3Å |
| 1609 | L | 86.7 | Confident | 83.9 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 171.6 | -101.5 | 114.5 | 0 | 0 | 0 | 112.4 | A1605 R1606 C1612 R1613 W1625 E1670 I1671 S1674 | A1605-L1609 WeakPolarHBondContact O-CB 3.04Å; A1605-L1609 WeakPolarHBondContact O-CD1 3.32Å; A1605-L1609 PolarHBondContact O-N 2.99Å; R1606-L1609 PolarHBondContact O-N 2.7Å; L1609-C1612 PolarHBondContact O-N 3.38Å; L1609-R1613 WeakPolarHBondContact O-CG 3.35Å; L1609-R1613 PolarHBondContact O-N 3.22Å; L1609-R1613 VanDerWaalsContact O-N 3.11Å; L1609-W1625 HydrophobicContact CD1-CH2 3.7Å; L1609-W1625 HydrophobicContact CD1-CZ3 3.85Å; L1609-W1625 HydrophobicContact CG-CH2 3.73Å; L1609-W1625 HydrophobicContact CG-CZ3 4.37Å; L1609-E1670 WeakPolarHBondContact CD2-O 3.47Å; L1609-I1671 HydrophobicContact CD1-CG1 4.07Å; L1609-S1674 VanDerWaalsContact CD2-CB 3.5Å; L1609-S1674 VanDerWaalsContact CD2-OG 3.3Å; L1609-S1674 WeakPolarHBondContact CD2-OG 3.45Å |
| 1610 | A | 84.5 | Confident | 83.7 | Confident | 47 Ų | 47 | 48.1 Ų | 48.1 | 39% | 0.388 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64 | -45.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1606 V1607 C1612 R1613 E1614 | R1606-A1610 WeakPolarHBondContact O-CB 3.39Å; R1606-A1610 PolarHBondContact O-N 3.31Å; V1607-A1610 WeakPolarHBondContact O-CB 3.35Å; V1607-A1610 PolarHBondContact O-N 3.14Å; A1610-C1612 VanDerWaalsContact C-N 3.31Å; A1610-C1612 PolarHBondContact O-N 2.92Å; A1610-R1613 WeakPolarHBondContact O-CB 3.36Å; A1610-R1613 PolarHBondContact O-N 3.38Å; A1610-R1613 VanDerWaalsContact O-N 3.11Å; A1610-E1614 PolarHBondContact O-N 3.15Å |
| 1611 | A | 82.3 | Confident | 83.4 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.7 | -38.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1561 V1607 T1608 R1613 E1614 K1615 L1621 | L1561-A1611 HydrophobicContact CD2-CB 4.09Å; V1607-A1611 PolarHBondContact O-N 2.9Å; T1608-A1611 PolarHBondContact O-N 3.1Å; A1611-R1613 VanDerWaalsContact C-N 3.34Å; A1611-R1613 PolarHBondContact O-N 2.64Å; A1611-E1614 PolarHBondContact O-N 2.73Å; A1611-K1615 PolarHBondContact O-N 3.26Å; A1611-L1621 HydrophobicContact CB-CD1 4.1Å |
| 1612 | C | 82.8 | Confident | 82.9 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.6 | -19.1 | 176.6 | -63.6 | 0 | 0 | 0 | 0 | 114.1 | T1608 L1609 A1610 K1615 P1616 W1625 | T1608-C1612 PolarHBondContact O-N 3.22Å; T1608-C1612 PolarHBondContact O-SG 3.3Å; L1609-C1612 PolarHBondContact O-N 3.38Å; A1610-C1612 VanDerWaalsContact C-N 3.31Å; A1610-C1612 PolarHBondContact O-N 2.92Å; C1612-K1615 CarbonylContact O-C 3.47Å; C1612-P1616 VanDerWaalsContact O-CA 3.24Å; C1612-P1616 WeakPolarHBondContact O-CA 3.23Å; C1612-W1625 HydrophobicContact CB-CZ2 4.23Å |
| 1613 | R | 82.1 | Confident | 82.7 | Confident | 103 Ų | 103 | 53.6 Ų | 53.6 | 39% | 0.389 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -74.8 | -35.3 | 169.6 | -71 | 167.9 | -176.4 | 168.9 | 3.8 | 111.5 | L1609 A1610 A1611 S1674 Y1677 | L1609-R1613 WeakPolarHBondContact O-CG 3.35Å; L1609-R1613 PolarHBondContact O-N 3.22Å; L1609-R1613 VanDerWaalsContact O-N 3.11Å; A1610-R1613 WeakPolarHBondContact O-CB 3.36Å; A1610-R1613 PolarHBondContact O-N 3.38Å; A1610-R1613 VanDerWaalsContact O-N 3.11Å; A1611-R1613 VanDerWaalsContact C-N 3.34Å; A1611-R1613 PolarHBondContact O-N 2.64Å; R1613-S1674 PolarHBondContact NE-OG 3.09Å; R1613-S1674 PolarHBondContact NH2-OG 3.22Å; R1613-Y1677 HydrophobicContact CG-CD2 3.83Å; R1613-Y1677 HydrophobicContact CG-CE2 4.03Å |
| 1614 | E | 80.9 | Confident | 82.6 | Confident | 148 Ų | 148 | 51.3 Ų | 51.3 | 69% | 0.692 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -75.9 | -40.8 | 173.8 | -64.9 | -64.5 | 138.9 | 0 | 0 | 112.1 | L1561 A1610 A1611 P1616 | L1561-E1614 HydrophobicContact CD2-CB 4.18Å; A1610-E1614 PolarHBondContact O-N 3.15Å; A1611-E1614 PolarHBondContact O-N 2.73Å; E1614-P1616 WeakPolarHBondContact O-CD 3.24Å |
| 1615 | K | 75.8 | Confident | 82.6 | Confident | 70 Ų | 70 | 51.5 Ų | 51.5 | 30% | 0.304 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -120 | 75.9 | 177.3 | -67.5 | -170.7 | 173 | -171.7 | 0 | 111.9 | A1611 C1612 K1617 D1618 L1621 | A1611-K1615 PolarHBondContact O-N 3.26Å; C1612-K1615 CarbonylContact O-C 3.47Å; K1615-K1617 PolarHBondContact O-N 2.94Å; K1615-D1618 HydrophobicContact CB-CB 4.11Å; K1615-D1618 HydrophobicContact CD-CB 4.42Å; K1615-D1618 VanDerWaalsContact CD-OD2 3.28Å; K1615-D1618 WeakPolarHBondContact CD-OD2 3.45Å; K1615-D1618 IonicContact NZ-OD2 3.93Å; K1615-D1618 PolarHBondContact NZ-OD2 3.07Å; K1615-L1621 HydrophobicContact CB-CD1 4.41Å |
| 1616 | P | 69.6 | Low | 82.5 | Confident | 70 Ų | 70 | 55.3 Ų | 55.3 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 132.9 | 177.3 | 28.4 | -34.8 | 0 | 0 | 0 | 111.3 | C1612 E1614 Y1677 | C1612-P1616 VanDerWaalsContact O-CA 3.24Å; C1612-P1616 WeakPolarHBondContact O-CA 3.23Å; E1614-P1616 WeakPolarHBondContact O-CD 3.24Å; P1616-Y1677 HydrophobicContact CB-CD1 3.9Å |
| 1617 | K | 68.3 | Low | 82.4 | Confident | 172 Ų | 172 | 51.4 Ų | 51.4 | 75% | 0.748 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 32.4 | -177.6 | -51.4 | -170.5 | 174.4 | -168.7 | 0 | 115.6 | K1615 S1619 E1622 | K1615-K1617 PolarHBondContact O-N 2.94Å; K1617-S1619 PolarHBondContact O-N 3.33Å; K1617-E1622 WeakPolarHBondContact CA-OE1 3.45Å |
| 1618 | D | 79.5 | Confident | 82.5 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 17% | 0.166 | 26% | 0.26 | C | S | . | . | trans | -69.3 | 121.1 | 164.1 | -174.1 | -50 | 0 | 0 | 0 | 109.2 | K1615 H1620 L1621 E1622 | K1615-D1618 HydrophobicContact CB-CB 4.11Å; K1615-D1618 HydrophobicContact CD-CB 4.42Å; K1615-D1618 VanDerWaalsContact CD-OD2 3.28Å; K1615-D1618 WeakPolarHBondContact CD-OD2 3.45Å; K1615-D1618 IonicContact NZ-OD2 3.93Å; K1615-D1618 PolarHBondContact NZ-OD2 3.07Å; D1618-H1620 PolarHBondContact O-N 2.8Å; D1618-H1620 PolarHBondContact OD1-N 3.23Å; D1618-L1621 HydrophobicContact CB-CB 4.26Å; D1618-L1621 HydrophobicContact CB-CD1 4.07Å; D1618-L1621 HydrophobicContact CB-CG 4.14Å; D1618-L1621 PolarHBondContact O-N 2.96Å; D1618-L1621 VanDerWaalsContact O-N 3.13Å; D1618-E1622 PolarHBondContact O-N 3.15Å | ||
| 1619 | S | 80.1 | Confident | 82.5 | Confident | 83 Ų | 83 | 51.8 Ų | 51.8 | 58% | 0.58 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.2 | -30.9 | -172 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | K1617 T1623 | K1617-S1619 PolarHBondContact O-N 3.33Å; S1619-T1623 VanDerWaalsContact O-CG2 3.22Å; S1619-T1623 WeakPolarHBondContact O-CG2 3.37Å |
| 1620 | H | 82.6 | Confident | 82.6 | Confident | 62 Ų | 62 | 56.5 Ų | 56.5 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -73.4 | -40.1 | 177.6 | -70.4 | -82.6 | 0 | 0 | 0 | 111.2 | V1566 E1567 D1569 D1618 T1623 | V1566-H1620 HydrophobicContact CG1-CB 3.92Å; V1566-H1620 VanDerWaalsContact O-CB 3.27Å; V1566-H1620 WeakPolarHBondContact O-CB 3.11Å; E1567-H1620 PolarHBondContact O-CE1 3.03Å; D1569-H1620 IonicContact OD1-CE1 3.31Å; D1569-H1620 IonicContact OD1-CG 3.05Å; D1569-H1620 IonicContact OD1-ND1 2.71Å; D1569-H1620 PolarHBondContact OD1-ND1 2.94Å; D1618-H1620 PolarHBondContact O-N 2.8Å; D1618-H1620 PolarHBondContact OD1-N 3.23Å; H1620-T1623 PolarHBondContact O-N 3.19Å; H1620-T1623 PolarHBondContact O-OG1 3.39Å |
| 1621 | L | 81.5 | Confident | 82.8 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.5 | -36.1 | 177.1 | -61.6 | -179.5 | 0 | 0 | 0 | 112.1 | V1566 A1611 K1615 D1618 T1623 S1624 | V1566-L1621 HydrophobicContact CG1-CD2 4.3Å; V1566-L1621 HydrophobicContact CG1-CG 4.17Å; A1611-L1621 HydrophobicContact CB-CD1 4.1Å; K1615-L1621 HydrophobicContact CB-CD1 4.41Å; D1618-L1621 HydrophobicContact CB-CB 4.26Å; D1618-L1621 HydrophobicContact CB-CD1 4.07Å; D1618-L1621 HydrophobicContact CB-CG 4.14Å; D1618-L1621 PolarHBondContact O-N 2.96Å; D1618-L1621 VanDerWaalsContact O-N 3.13Å; L1621-T1623 PolarHBondContact O-N 3.38Å; L1621-S1624 WeakPolarHBondContact O-CB 3.34Å; L1621-S1624 PolarHBondContact O-N 2.82Å; L1621-S1624 VanDerWaalsContact O-N 3.11Å; L1621-S1624 PolarHBondContact O-OG 2.95Å |
| 1622 | E | 82.7 | Confident | 83.1 | Confident | 76 Ų | 76 | 54.1 Ų | 54.1 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.3 | -30.8 | 175.2 | -77.1 | -169.2 | 168.5 | 0 | 0 | 112.8 | K1617 D1618 S1624 W1625 | K1617-E1622 WeakPolarHBondContact CA-OE1 3.45Å; D1618-E1622 PolarHBondContact O-N 3.15Å; E1622-S1624 PolarHBondContact O-N 2.69Å; E1622-S1624 VanDerWaalsContact O-N 3.1Å; E1622-W1625 PolarHBondContact O-N 2.93Å |
| 1623 | T | 84.5 | Confident | 83.2 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 31% | 0.307 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15.4 | 176.7 | 74.8 | 0 | 0 | 0 | 0 | 114.5 | R1572 S1619 H1620 L1621 | R1572-T1623 VanDerWaalsContact CD-O 3.29Å; R1572-T1623 WeakPolarHBondContact CD-O 3.47Å; R1572-T1623 WeakPolarHBondContact CD-OG1 3.44Å; R1572-T1623 WeakPolarHBondContact CG-O 3.27Å; S1619-T1623 VanDerWaalsContact O-CG2 3.22Å; S1619-T1623 WeakPolarHBondContact O-CG2 3.37Å; H1620-T1623 PolarHBondContact O-N 3.19Å; H1620-T1623 PolarHBondContact O-OG1 3.39Å; L1621-T1623 PolarHBondContact O-N 3.38Å |
| 1624 | S | 86.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -17.5 | -174.6 | 69.7 | 0 | 0 | 0 | 0 | 115.1 | L1621 E1622 E1627 V1628 | L1621-S1624 WeakPolarHBondContact O-CB 3.34Å; L1621-S1624 PolarHBondContact O-N 2.82Å; L1621-S1624 VanDerWaalsContact O-N 3.11Å; L1621-S1624 PolarHBondContact O-OG 2.95Å; E1622-S1624 PolarHBondContact O-N 2.69Å; E1622-S1624 VanDerWaalsContact O-N 3.1Å; S1624-E1627 PolarHBondContact O-N 3.38Å; S1624-V1628 WeakPolarHBondContact O-CG2 3.47Å; S1624-V1628 PolarHBondContact O-N 3.33Å; S1624-V1628 VanDerWaalsContact O-N 3.12Å |
| 1625 | W | 89.1 | Confident | 83.5 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.8 | -34.1 | -173.9 | -61.8 | 118.5 | 0 | 0 | 0 | 115.9 | T1608 L1609 C1612 E1622 E1627 V1628 L1629 L1678 P1679 F1682 | T1608-W1625 HydrophobicContact CG2-CH2 4.18Å; T1608-W1625 HydrophobicContact CG2-CZ2 4.3Å; L1609-W1625 HydrophobicContact CD1-CH2 3.7Å; L1609-W1625 HydrophobicContact CD1-CZ3 3.85Å; L1609-W1625 HydrophobicContact CG-CH2 3.73Å; L1609-W1625 HydrophobicContact CG-CZ3 4.37Å; C1612-W1625 HydrophobicContact CB-CZ2 4.23Å; E1622-W1625 PolarHBondContact O-N 2.93Å; W1625-E1627 VanDerWaalsContact C-N 3.35Å; W1625-E1627 PolarHBondContact O-N 3.2Å; W1625-V1628 HydrophobicContact CE3-CB 4.09Å; W1625-V1628 HydrophobicContact CE3-CG1 4.17Å; W1625-V1628 HydrophobicContact CE3-CG2 3.99Å; W1625-V1628 HydrophobicContact CZ3-CG1 4.32Å; W1625-V1628 HydrophobicContact CZ3-CG2 4.15Å; W1625-V1628 PolarHBondContact O-N 3.42Å; W1625-L1629 PolarHBondContact O-N 2.7Å; W1625-L1678 HydrophobicContact CD2-CD2 4.22Å; W1625-L1678 HydrophobicContact CH2-CD2 3.87Å; W1625-L1678 HydrophobicContact CZ2-CD2 3.42Å; W1625-L1678 VanDerWaalsContact CZ2-CD2 3.42Å; W1625-L1678 HydrophobicContact CZ3-CD2 4.38Å; W1625-P1679 VanDerWaalsContact CD1-CD 3.49Å; W1625-P1679 HydrophobicContact CG-CG 4.35Å; W1625-F1682 HydrophobicContact CB-CB 4.45Å; W1625-F1682 HydrophobicContact CB-CD2 3.84Å; W1625-F1682 HydrophobicContact CB-CE2 4.25Å; W1625-F1682 HydrophobicContact CB-CG 4.1Å; W1625-F1682 HydrophobicContact CE3-CE1 4.2Å; W1625-F1682 HydrophobicContact CE3-CE2 4.31Å; W1625-F1682 AromaticContact CE3-CZ 3.97Å; W1625-F1682 HydrophobicContact CE3-CZ 3.97Å; W1625-F1682 WeakPolarHBondContact O-CD2 3.39Å; W1625-F1682 VanDerWaalsContact O-CE2 3.3Å; W1625-F1682 WeakPolarHBondContact O-CE2 3.4Å |
| 1626 | P | 87.3 | Confident | 83.7 | Confident | 80 Ų | 80 | 42.9 Ų | 42.9 | 52% | 0.519 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 173.5 | -22 | 34.3 | 0 | 0 | 0 | 112.3 | L1629 Q1630 | P1626-L1629 WeakPolarHBondContact O-CB 3.32Å; P1626-L1629 PolarHBondContact O-N 3.09Å; P1626-Q1630 WeakPolarHBondContact O-CB 3.4Å; P1626-Q1630 PolarHBondContact O-N 2.98Å |
| 1627 | E | 88.4 | Confident | 84 | Confident | 30 Ų | 30 | 41 Ų | 41 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.1 | -34.5 | 176.3 | -73.1 | 87.9 | 149.5 | 0 | 0 | 112.3 | R1572 F1575 E1576 S1624 W1625 Q1630 C1631 | R1572-E1627 WeakPolarHBondContact CD-OE1 3.19Å; R1572-E1627 VanDerWaalsContact CG-CD 3.43Å; R1572-E1627 HydrophobicContact CG-CG 4.31Å; R1572-E1627 WeakPolarHBondContact CG-OE1 3.41Å; R1572-E1627 IonicContact CZ-OE1 3.18Å; R1572-E1627 IonicContact NE-OE1 3.85Å; R1572-E1627 IonicContact NH1-OE1 2.71Å; R1572-E1627 PolarHBondContact NH1-OE1 2.95Å; F1575-E1627 HydrophobicContact CB-CB 3.61Å; E1576-E1627 HydrophobicContact CB-CG 4.03Å; E1576-E1627 HydrophobicContact CG-CG 4.38Å; S1624-E1627 PolarHBondContact O-N 3.38Å; W1625-E1627 VanDerWaalsContact C-N 3.35Å; W1625-E1627 PolarHBondContact O-N 3.2Å; E1627-Q1630 PolarHBondContact O-N 2.96Å; E1627-C1631 PolarHBondContact O-N 2.69Å; E1627-C1631 PolarHBondContact O-SG 3.17Å |
| 1628 | V | 89 | Confident | 84.1 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -46.5 | 169.5 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | F1575 F1601 S1624 W1625 Q1630 C1631 I1632 F1682 | F1575-V1628 HydrophobicContact CD1-CG2 3.87Å; F1575-V1628 HydrophobicContact CD2-CG2 3.54Å; F1575-V1628 HydrophobicContact CE1-CG2 3.84Å; F1575-V1628 HydrophobicContact CE2-CG2 3.5Å; F1575-V1628 HydrophobicContact CG-CG2 3.73Å; F1575-V1628 HydrophobicContact CZ-CG2 3.66Å; F1601-V1628 HydrophobicContact CE2-CG1 4.08Å; F1601-V1628 HydrophobicContact CZ-CG1 4.14Å; S1624-V1628 WeakPolarHBondContact O-CG2 3.47Å; S1624-V1628 PolarHBondContact O-N 3.33Å; S1624-V1628 VanDerWaalsContact O-N 3.12Å; W1625-V1628 HydrophobicContact CE3-CB 4.09Å; W1625-V1628 HydrophobicContact CE3-CG1 4.17Å; W1625-V1628 HydrophobicContact CE3-CG2 3.99Å; W1625-V1628 HydrophobicContact CZ3-CG1 4.32Å; W1625-V1628 HydrophobicContact CZ3-CG2 4.15Å; W1625-V1628 PolarHBondContact O-N 3.42Å; V1628-Q1630 VanDerWaalsContact C-N 3.31Å; V1628-Q1630 PolarHBondContact O-N 3.4Å; V1628-C1631 WeakPolarHBondContact O-CB 3.34Å; V1628-C1631 PolarHBondContact O-N 2.9Å; V1628-I1632 HydrophobicContact CG1-CD1 4.14Å; V1628-I1632 WeakPolarHBondContact O-CG1 3.47Å; V1628-I1632 PolarHBondContact O-N 2.93Å; V1628-I1632 VanDerWaalsContact O-N 3.13Å; V1628-F1682 HydrophobicContact CB-CE2 4.29Å; V1628-F1682 HydrophobicContact CG1-CE2 4.04Å; V1628-F1682 HydrophobicContact CG1-CZ 3.92Å |
| 1629 | L | 88 | Confident | 83 | Confident | 43 Ų | 43 | 42.2 Ų | 42.2 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -42.9 | 176.2 | -177.4 | 69.4 | 0 | 0 | 0 | 110.9 | W1625 P1626 C1631 I1632 D1633 F1682 A1685 I1686 L1689 | W1625-L1629 PolarHBondContact O-N 2.7Å; P1626-L1629 WeakPolarHBondContact O-CB 3.32Å; P1626-L1629 PolarHBondContact O-N 3.09Å; L1629-C1631 PolarHBondContact O-N 3.09Å; L1629-I1632 PolarHBondContact O-N 3.17Å; L1629-D1633 PolarHBondContact O-N 3.45Å; L1629-F1682 HydrophobicContact CB-CD2 4.02Å; L1629-F1682 HydrophobicContact CB-CE2 3.87Å; L1629-A1685 HydrophobicContact CD1-CB 4Å; L1629-A1685 HydrophobicContact CD2-CB 3.59Å; L1629-A1685 HydrophobicContact CG-CB 4.47Å; L1629-I1686 HydrophobicContact CD1-CD1 3.77Å; L1629-I1686 HydrophobicContact CD1-CG1 4.13Å; L1629-L1689 HydrophobicContact CD1-CD1 3.93Å |
| 1630 | Q | 88.5 | Confident | 81.8 | Confident | 102 Ų | 102 | 44 Ų | 44 | 48% | 0.477 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.3 | -36.5 | 177.6 | -171.5 | 178.5 | 72.1 | 0 | 0 | 112.5 | A1579 P1626 E1627 V1628 N1634 | A1579-Q1630 HydrophobicContact CB-CG 4.39Å; P1626-Q1630 WeakPolarHBondContact O-CB 3.4Å; P1626-Q1630 PolarHBondContact O-N 2.98Å; E1627-Q1630 PolarHBondContact O-N 2.96Å; V1628-Q1630 VanDerWaalsContact C-N 3.31Å; V1628-Q1630 PolarHBondContact O-N 3.4Å; Q1630-N1634 WeakPolarHBondContact O-CB 3.39Å; Q1630-N1634 PolarHBondContact O-N 2.99Å; Q1630-N1634 PolarHBondContact O-ND2 2.71Å |
| 1631 | C | 89.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.5 | -45.9 | 172.4 | -71.8 | 0 | 0 | 0 | 0 | 111.6 | F1575 L1582 F1601 E1627 V1628 L1629 F1635 | F1575-C1631 PolarHBondContact O-SG 2.94Å; F1575-C1631 VanDerWaalsContact O-SG 3.38Å; L1582-C1631 HydrophobicContact CD1-CB 3.78Å; F1601-C1631 HydrophobicContact CD2-CB 3.62Å; F1601-C1631 HydrophobicContact CE2-CB 3.48Å; F1601-C1631 VanDerWaalsContact CE2-CB 3.48Å; F1601-C1631 HydrophobicContact CG-CB 4.43Å; F1601-C1631 HydrophobicContact CZ-CB 4.2Å; E1627-C1631 PolarHBondContact O-N 2.69Å; E1627-C1631 PolarHBondContact O-SG 3.17Å; V1628-C1631 WeakPolarHBondContact O-CB 3.34Å; V1628-C1631 PolarHBondContact O-N 2.9Å; L1629-C1631 PolarHBondContact O-N 3.09Å; C1631-F1635 VanDerWaalsContact O-CB 3.24Å; C1631-F1635 WeakPolarHBondContact O-CB 3.5Å; C1631-F1635 PolarHBondContact O-N 3.18Å |
| 1632 | I | 88 | Confident | 77.6 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.7 | -48.1 | 179.1 | -63.4 | 168 | 0 | 0 | 0 | 110.7 | F1601 V1628 L1629 F1635 L1636 V1663 I1667 I1671 I1686 L1689 | F1601-I1632 HydrophobicContact CE1-CG1 4.06Å; F1601-I1632 HydrophobicContact CZ-CD1 4.1Å; F1601-I1632 HydrophobicContact CZ-CG1 3.58Å; V1628-I1632 HydrophobicContact CG1-CD1 4.14Å; V1628-I1632 WeakPolarHBondContact O-CG1 3.47Å; V1628-I1632 PolarHBondContact O-N 2.93Å; V1628-I1632 VanDerWaalsContact O-N 3.13Å; L1629-I1632 PolarHBondContact O-N 3.17Å; I1632-F1635 PolarHBondContact O-N 3.31Å; I1632-L1636 HydrophobicContact CG2-CD1 3.92Å; I1632-L1636 WeakPolarHBondContact O-CB 3.44Å; I1632-L1636 PolarHBondContact O-N 2.82Å; I1632-V1663 HydrophobicContact CG1-CG1 4.16Å; I1632-V1663 HydrophobicContact CG2-CG1 4.13Å; I1632-I1667 HydrophobicContact CG2-CD1 4.15Å; I1632-I1671 HydrophobicContact CD1-CD1 4.34Å; I1632-I1686 HydrophobicContact CD1-CD1 3.76Å; I1632-L1689 HydrophobicContact CB-CD1 4.38Å; I1632-L1689 HydrophobicContact CG2-CD1 3.81Å; I1632-L1689 HydrophobicContact CG2-CD2 3.69Å; I1632-L1689 HydrophobicContact CG2-CG 4.44Å |
| 1633 | D | 85.9 | Confident | 75.1 | Confident | 52 Ų | 52 | 61.5 Ų | 61.5 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.2 | -46.7 | -178.6 | -170.9 | 66.1 | 0 | 0 | 0 | 112.2 | L1629 F1635 F1637 L1689 R1692 | L1629-D1633 PolarHBondContact O-N 3.45Å; D1633-F1635 VanDerWaalsContact C-N 3.32Å; D1633-F1635 PolarHBondContact O-N 3.04Å; D1633-F1637 PolarHBondContact O-N 3.08Å; D1633-L1689 HydrophobicContact CB-CD1 3.99Å; D1633-R1692 IonicContact OD1-CZ 2.67Å; D1633-R1692 IonicContact OD1-NH1 3.41Å; D1633-R1692 PolarHBondContact OD1-NH1 3.11Å; D1633-R1692 IonicContact OD1-NH2 3.45Å; D1633-R1692 PolarHBondContact OD1-NH2 2.94Å; D1633-R1692 IonicContact OD2-NH2 2.69Å |
| 1634 | N | 83.8 | Confident | 72.8 | Confident | 22 Ų | 22 | 64.4 Ų | 64.4 | 12% | 0.118 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 175.9 | -82.6 | -25.7 | 0 | 0 | 0 | 112.1 | A1579 K1583 Q1630 T1638 | A1579-N1634 PolarHBondContact O-ND2 3.15Å; A1579-N1634 VanDerWaalsContact O-ND2 3.11Å; K1583-N1634 HydrophobicContact CB-CB 3.88Å; K1583-N1634 WeakPolarHBondContact CD-OD1 3.37Å; K1583-N1634 HydrophobicContact CG-CB 4.24Å; Q1630-N1634 WeakPolarHBondContact O-CB 3.39Å; Q1630-N1634 PolarHBondContact O-N 2.99Å; Q1630-N1634 PolarHBondContact O-ND2 2.71Å; N1634-T1638 PolarHBondContact O-OG1 3.3Å |
| 1635 | F | 85 | Confident | 70.3 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 1% | 0.013 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -75 | -43.5 | -178.3 | -175.3 | -112.7 | 0 | 0 | 0 | 112.3 | L1582 K1585 W1594 V1598 C1631 I1632 D1633 L1656 M1659 E1660 V1663 | L1582-F1635 HydrophobicContact CB-CB 4.33Å; L1582-F1635 HydrophobicContact CD2-CB 4.42Å; L1582-F1635 HydrophobicContact CD2-CD2 3.79Å; L1582-F1635 HydrophobicContact CD2-CE2 4.41Å; L1582-F1635 HydrophobicContact CD2-CG 4.26Å; K1585-F1635 HydrophobicContact CB-CE2 4.44Å; K1585-F1635 HydrophobicContact CD-CD2 4.04Å; K1585-F1635 HydrophobicContact CD-CE2 4.09Å; K1585-F1635 WeakPolarHBondContact CD-O 3.45Å; K1585-F1635 WeakPolarHBondContact CE-O 3.32Å; K1585-F1635 PolarHBondContact NZ-O 3.3Å; W1594-F1635 HydrophobicContact CE3-CE2 4.03Å; W1594-F1635 HydrophobicContact CZ3-CE2 4.17Å; W1594-F1635 HydrophobicContact CZ3-CZ 4.25Å; V1598-F1635 HydrophobicContact CB-CE2 4.35Å; V1598-F1635 HydrophobicContact CB-CZ 4.29Å; V1598-F1635 HydrophobicContact CG1-CZ 4.42Å; V1598-F1635 HydrophobicContact CG2-CD1 4.29Å; V1598-F1635 HydrophobicContact CG2-CE1 3.91Å; V1598-F1635 HydrophobicContact CG2-CE2 4.44Å; V1598-F1635 HydrophobicContact CG2-CZ 4Å; C1631-F1635 VanDerWaalsContact O-CB 3.24Å; C1631-F1635 WeakPolarHBondContact O-CB 3.5Å; C1631-F1635 PolarHBondContact O-N 3.18Å; I1632-F1635 PolarHBondContact O-N 3.31Å; D1633-F1635 VanDerWaalsContact C-N 3.32Å; D1633-F1635 PolarHBondContact O-N 3.04Å; F1635-L1656 HydrophobicContact CE2-CD1 4.37Å; F1635-L1656 HydrophobicContact CZ-CD1 4.16Å; F1635-M1659 HydrophobicContact CZ-CB 4.34Å; F1635-E1660 HydrophobicContact CE1-CG 3.86Å; F1635-E1660 HydrophobicContact CZ-CG 4.19Å; F1635-V1663 HydrophobicContact CD1-CG2 3.89Å; F1635-V1663 HydrophobicContact CE1-CG2 3.95Å |
| 1636 | L | 80.3 | Confident | 68.1 | Low | 13 Ų | 13 | 77.3 Ų | 77.3 | 7% | 0.068 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -76.7 | -45.7 | -177.7 | -66.5 | 179.8 | 0 | 0 | 0 | 112.1 | K1585 I1632 E1660 V1663 V1664 L1689 L1716 | K1585-L1636 PolarHBondContact NZ-O 3.23Å; I1632-L1636 HydrophobicContact CG2-CD1 3.92Å; I1632-L1636 WeakPolarHBondContact O-CB 3.44Å; I1632-L1636 PolarHBondContact O-N 2.82Å; L1636-E1660 HydrophobicContact CD2-CB 3.8Å; L1636-E1660 HydrophobicContact CD2-CG 4.06Å; L1636-V1663 HydrophobicContact CD1-CG1 4.45Å; L1636-V1664 HydrophobicContact CD1-CG2 4.24Å; L1636-L1689 HydrophobicContact CD1-CD2 4.06Å; L1636-L1716 HydrophobicContact CD2-CD1 4.25Å |
| 1637 | F | 75.7 | Confident | 65.9 | Low | 32 Ų | 32 | 81.5 Ų | 81.5 | 14% | 0.14 | 42% | 0.422 | C | S | . | . | trans | -112.5 | 33 | -163.5 | -57.8 | -80.8 | 0 | 0 | 0 | 115.3 | D1633 K1639 L1689 R1692 D1696 | D1633-F1637 PolarHBondContact O-N 3.08Å; F1637-K1639 PolarHBondContact O-N 3.35Å; F1637-K1639 VanDerWaalsContact O-N 3.11Å; F1637-L1689 HydrophobicContact CE2-CD2 3.74Å; F1637-L1689 HydrophobicContact CE2-CG 3.78Å; F1637-L1689 HydrophobicContact CZ-CD2 4.47Å; F1637-L1689 WeakPolarHBondContact CZ-O 3.2Å; F1637-R1692 HydrophobicContact CE1-CB 4.28Å; F1637-R1692 HydrophobicContact CE1-CG 4.35Å; F1637-R1692 HydrophobicContact CZ-CB 4.23Å; F1637-D1696 HydrophobicContact CD1-CB 4.23Å; F1637-D1696 WeakPolarHBondContact CD1-OD2 3.28Å; F1637-D1696 HydrophobicContact CE1-CB 4.17Å | ||
| 1638 | T | 69.9 | Low | 64 | Low | 34 Ų | 34 | 84.2 Ų | 84.2 | 21% | 0.209 | 44% | 0.443 | C | S | . | . | trans | -59.4 | 114.3 | -179.9 | -29.5 | 0 | 0 | 0 | 0 | 112.2 | K1583 K1585 N1634 | K1583-T1638 WeakPolarHBondContact O-CG2 3.44Å; K1585-T1638 WeakPolarHBondContact CE-OG1 3.29Å; N1634-T1638 PolarHBondContact O-OG1 3.3Å | ||
| 1639 | K | 58.2 | Low | 62.2 | Low | 193 Ų | 193 | 91.1 Ų | 91.1 | 84% | 0.839 | 48% | 0.479 | S | S | * | . | trans | -68.7 | 130.6 | 174.5 | -67.4 | -174.5 | 176.5 | -177.3 | 0 | 110.9 | F1637 E1641 | F1637-K1639 PolarHBondContact O-N 3.35Å; F1637-K1639 VanDerWaalsContact O-N 3.11Å; K1639-E1641 PolarHBondContact O-N 3.5Å | ||
| 1640 | N | 53.3 | Low | 60.7 | Low | 122 Ų | 122 | 96.8 Ų | 96.8 | 65% | 0.652 | 50% | 0.498 | S | S | * | . | trans | -81.8 | 103.8 | -179.8 | -86.7 | -9.1 | 0 | 0 | 0 | 111.1 | R1586 | R1586-N1640 WeakPolarHBondContact CD-OD1 3.46Å; R1586-N1640 PolarHBondContact NH1-ND2 3.41Å; R1586-N1640 PolarHBondContact NH1-OD1 2.94Å | ||
| 1641 | E | 41.2 | Very low | 59.3 | Low | 167 Ų | 167 | 96 Ų | 96 | 78% | 0.78 | 50% | 0.497 | S | S | * | . | trans | -97.5 | 135.3 | 161.7 | -69.5 | -171.6 | 178.7 | 0 | 0 | 111.3 | K1639 | K1639-E1641 PolarHBondContact O-N 3.5Š| ||
| 1642 | S | 35.2 | Very low | 58.1 | Low | 105 Ų | 105 | 99 Ų | 99 | 73% | 0.734 | 51% | 0.511 | S | S | * | . | trans | -62.3 | 137 | -158.6 | 59.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1643 | R | 31.1 | Very low | 56.8 | Low | 239 Ų | 239 | 103.1 Ų | 103.1 | 90% | 0.902 | 53% | 0.529 | S | S | * | . | -174.9 | 168.1 | 105.2 | -100.1 | 172.8 | -177.3 | -174.7 | 1.1 | 113.5 | |||||
| 1644 | S | 35.7 | Very low | 56 | Low | 110 Ų | 110 | 104.5 Ų | 104.5 | 77% | 0.769 | 53% | 0.534 | S | S | * | . | trans | -76 | 135.2 | -168.7 | 53.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1645 | L | 34 | Very low | 55.4 | Low | 165 Ų | 165 | 109.8 Ų | 109.8 | 86% | 0.864 | 55% | 0.552 | S | S | * | * | trans | -170.1 | 121.9 | 141.9 | -105.2 | 157.8 | 0 | 0 | 0 | 110.7 | ||||
| 1646 | S | 42.3 | Very low | 54.9 | Low | 111 Ų | 111 | 110.7 Ų | 110.7 | 78% | 0.776 | 56% | 0.557 | S | S | * | * | trans | 49.9 | 123 | 176.4 | 54.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1647 | L | 41.1 | Very low | 54.6 | Low | 167 Ų | 167 | 111.4 Ų | 111.4 | 87% | 0.874 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 137.4 | 166.1 | -79.4 | 84.6 | 0 | 0 | 0 | 110.3 | ||
| 1648 | P | 48.6 | Very low | 54.8 | Low | 88 Ų | 88 | 114 Ų | 114 | 57% | 0.571 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 147.5 | 166.3 | -19.7 | 32 | 0 | 0 | 0 | 111 | E1652 | P1648-E1652 HydrophobicContact CB-CB 4.47Š|
| 1649 | L | 51.9 | Low | 55.2 | Low | 144 Ų | 144 | 114 Ų | 114 | 75% | 0.754 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 146.7 | 164 | -72.4 | 164.9 | 0 | 0 | 0 | 109.2 | D1651 E1652 K1653 | L1649-D1651 PolarHBondContact O-N 3.47Å; L1649-E1652 PolarHBondContact O-N 3.47Å; L1649-K1653 PolarHBondContact O-N 3.01Å |
| 1650 | Y | 55.3 | Low | 56.5 | Low | 162 Ų | 162 | 105.2 Ų | 105.2 | 64% | 0.635 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -46.6 | -41.3 | -178.5 | -175.4 | -90 | 0 | 0 | 0 | 112.8 | E1652 K1653 Q1654 | Y1650-E1652 PolarHBondContact O-N 3.25Å; Y1650-K1653 PolarHBondContact O-N 3.3Å; Y1650-Q1654 PolarHBondContact O-N 2.91Å |
| 1651 | D | 60.7 | Low | 57.9 | Low | 85 Ų | 85 | 100.4 Ų | 100.4 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.4 | -26.4 | 179.7 | -172.7 | 51.4 | 0 | 0 | 0 | 114.8 | L1649 R1655 | L1649-D1651 PolarHBondContact O-N 3.47Å; D1651-R1655 VanDerWaalsContact CG-NH2 3.35Å; D1651-R1655 PolarHBondContact O-NH1 3.37Å; D1651-R1655 IonicContact OD1-CZ 2.8Å; D1651-R1655 IonicContact OD1-NH1 3.65Å; D1651-R1655 PolarHBondContact OD1-NH1 2.79Å; D1651-R1655 IonicContact OD1-NH2 3.92Å; D1651-R1655 PolarHBondContact OD1-NH2 3.09Å; D1651-R1655 VanDerWaalsContact OD1-NH2 3.15Å; D1651-R1655 IonicContact OD2-CZ 3.17Å; D1651-R1655 IonicContact OD2-NH1 3.93Å; D1651-R1655 PolarHBondContact OD2-NH1 3.02Å; D1651-R1655 IonicContact OD2-NH2 3.53Å; D1651-R1655 PolarHBondContact OD2-NH2 3.23Å |
| 1652 | E | 62.6 | Low | 59.9 | Low | 63 Ų | 63 | 97.2 Ų | 97.2 | 29% | 0.294 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -83.5 | -29.5 | 173.6 | -173.1 | 155.6 | -134.2 | 0 | 0 | 111.5 | K1591 K1595 P1648 L1649 Y1650 | K1591-E1652 IonicContact NZ-OE2 2.7Å; K1595-E1652 IonicContact NZ-OE1 3.85Å; K1595-E1652 PolarHBondContact NZ-OE1 2.85Å; P1648-E1652 HydrophobicContact CB-CB 4.47Å; L1649-E1652 PolarHBondContact O-N 3.47Å; Y1650-E1652 PolarHBondContact O-N 3.25Å |
| 1653 | K | 62.1 | Low | 62.4 | Low | 89 Ų | 89 | 92.2 Ų | 92.2 | 39% | 0.387 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.2 | -43 | 172.8 | -172.6 | -177.2 | 175.4 | -170.4 | 0 | 111.5 | L1649 Y1650 L1656 E1657 D1709 | L1649-K1653 PolarHBondContact O-N 3.01Å; Y1650-K1653 PolarHBondContact O-N 3.3Å; K1653-L1656 PolarHBondContact O-N 2.99Å; K1653-E1657 PolarHBondContact O-N 3.23Å; K1653-D1709 IonicContact NZ-OD1 2.67Å; K1653-D1709 PolarHBondContact NZ-OD1 3.45Å |
| 1654 | Q | 68.2 | Low | 65 | Low | 81 Ų | 81 | 80.9 Ų | 80.9 | 38% | 0.379 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.9 | -35.9 | 179.9 | -169 | 170.5 | 6.1 | 0 | 0 | 112.8 | Y1650 L1656 E1657 L1658 | Y1650-Q1654 PolarHBondContact O-N 2.91Å; Q1654-L1656 VanDerWaalsContact C-N 3.29Å; Q1654-L1656 PolarHBondContact O-N 3.48Å; Q1654-E1657 PolarHBondContact O-N 3.21Å; Q1654-L1658 WeakPolarHBondContact O-CG 3.37Å; Q1654-L1658 PolarHBondContact O-N 3.42Å |
| 1655 | R | 70.2 | Confident | 67.3 | Low | 132 Ų | 132 | 78.6 Ų | 78.6 | 50% | 0.498 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.6 | -28.9 | 174.2 | -73.5 | -169 | -165.9 | 84.3 | 4.2 | 113.7 | D1651 M1659 | D1651-R1655 VanDerWaalsContact CG-NH2 3.35Å; D1651-R1655 PolarHBondContact O-NH1 3.37Å; D1651-R1655 IonicContact OD1-CZ 2.8Å; D1651-R1655 IonicContact OD1-NH1 3.65Å; D1651-R1655 PolarHBondContact OD1-NH1 2.79Å; D1651-R1655 IonicContact OD1-NH2 3.92Å; D1651-R1655 PolarHBondContact OD1-NH2 3.09Å; D1651-R1655 VanDerWaalsContact OD1-NH2 3.15Å; D1651-R1655 IonicContact OD2-CZ 3.17Å; D1651-R1655 IonicContact OD2-NH1 3.93Å; D1651-R1655 PolarHBondContact OD2-NH1 3.02Å; D1651-R1655 IonicContact OD2-NH2 3.53Å; D1651-R1655 PolarHBondContact OD2-NH2 3.23Å; R1655-M1659 WeakPolarHBondContact O-CG 3.3Å; R1655-M1659 PolarHBondContact O-N 3.41Å |
| 1656 | L | 76.4 | Confident | 69.8 | Low | 22 Ų | 22 | 70.8 Ų | 70.8 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.3 | -48.1 | 175 | 175.8 | 62 | 0 | 0 | 0 | 111.2 | K1585 W1594 F1635 K1653 Q1654 L1658 M1659 E1660 | K1585-L1656 HydrophobicContact CD-CD1 4.31Å; W1594-L1656 HydrophobicContact CH2-CB 4.22Å; W1594-L1656 HydrophobicContact CH2-CD1 3.58Å; W1594-L1656 HydrophobicContact CH2-CG 4.46Å; W1594-L1656 HydrophobicContact CZ2-CD1 4.35Å; W1594-L1656 HydrophobicContact CZ3-CD1 3.68Å; F1635-L1656 HydrophobicContact CE2-CD1 4.37Å; F1635-L1656 HydrophobicContact CZ-CD1 4.16Å; K1653-L1656 PolarHBondContact O-N 2.99Å; Q1654-L1656 VanDerWaalsContact C-N 3.29Å; Q1654-L1656 PolarHBondContact O-N 3.48Å; L1656-L1658 PolarHBondContact O-N 3.22Å; L1656-M1659 PolarHBondContact O-N 2.96Å; L1656-M1659 VanDerWaalsContact O-N 3.09Å; L1656-E1660 HydrophobicContact CD1-CG 4.23Å; L1656-E1660 WeakPolarHBondContact CD1-OE1 3.28Å; L1656-E1660 HydrophobicContact CG-CG 4.46Å; L1656-E1660 WeakPolarHBondContact CG-OE1 3.45Å; L1656-E1660 WeakPolarHBondContact O-CG 3.39Å; L1656-E1660 PolarHBondContact O-N 3.34Å |
| 1657 | E | 72.9 | Confident | 71.9 | Confident | 28 Ų | 28 | 65.5 Ų | 65.5 | 13% | 0.131 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.6 | -32.5 | 179.6 | -166 | 163.7 | -179.1 | 0 | 0 | 111.6 | K1653 Q1654 C1661 N1713 L1714 E1715 | K1653-E1657 PolarHBondContact O-N 3.23Å; Q1654-E1657 PolarHBondContact O-N 3.21Å; E1657-C1661 PolarHBondContact O-N 3.18Å; E1657-C1661 PolarHBondContact O-SG 3.32Å; E1657-N1713 VanDerWaalsContact OE1-C 3.3Å; E1657-N1713 VanDerWaalsContact OE1-CA 3.26Å; E1657-N1713 WeakPolarHBondContact OE1-CA 3.49Å; E1657-L1714 PolarHBondContact OE1-N 2.89Å; E1657-E1715 HydrophobicContact CG-CB 4.23Å; E1657-E1715 PolarHBondContact OE1-N 3.42Å |
| 1658 | L | 79.5 | Confident | 73.9 | Confident | 88 Ų | 88 | 60.2 Ų | 60.2 | 46% | 0.461 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 170.7 | -71.6 | 170.9 | 0 | 0 | 0 | 113.4 | Q1654 L1656 E1660 C1661 E1662 | Q1654-L1658 WeakPolarHBondContact O-CG 3.37Å; Q1654-L1658 PolarHBondContact O-N 3.42Å; L1656-L1658 PolarHBondContact O-N 3.22Å; L1658-E1660 VanDerWaalsContact C-N 3.34Å; L1658-C1661 CarbonylContact O-C 3.47Å; L1658-C1661 WeakPolarHBondContact O-CA 3.28Å; L1658-C1661 WeakPolarHBondContact O-CB 3.45Å; L1658-C1661 PolarHBondContact O-N 3.18Å; L1658-E1662 PolarHBondContact O-N 2.93Å |
| 1659 | M | 79.9 | Confident | 75.6 | Confident | 32 Ų | 32 | 59.8 Ų | 59.8 | 16% | 0.158 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.6 | -29.2 | 176.5 | -64.4 | -148.6 | 84 | 0 | 0 | 112.8 | W1594 V1598 F1635 R1655 L1656 C1661 E1662 V1663 | W1594-M1659 HydrophobicContact CZ3-SD 4.42Å; V1598-M1659 HydrophobicContact CG1-CE 3.58Å; V1598-M1659 HydrophobicContact CG1-SD 3.7Å; F1635-M1659 HydrophobicContact CZ-CB 4.34Å; R1655-M1659 WeakPolarHBondContact O-CG 3.3Å; R1655-M1659 PolarHBondContact O-N 3.41Å; L1656-M1659 PolarHBondContact O-N 2.96Å; L1656-M1659 VanDerWaalsContact O-N 3.09Å; M1659-C1661 VanDerWaalsContact C-N 3.29Å; M1659-E1662 WeakPolarHBondContact CE-OE2 3.36Å; M1659-E1662 PolarHBondContact O-N 2.96Å; M1659-V1663 PolarHBondContact O-N 3.13Å |
| 1660 | E | 83.6 | Confident | 77.1 | Confident | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 168.6 | -69.2 | 167.6 | 174 | 0 | 0 | 110.5 | K1585 F1635 L1636 L1656 L1658 V1663 V1664 L1716 | K1585-E1660 IonicContact NZ-OE1 3.61Å; K1585-E1660 PolarHBondContact NZ-OE1 3.47Å; F1635-E1660 HydrophobicContact CE1-CG 3.86Å; F1635-E1660 HydrophobicContact CZ-CG 4.19Å; L1636-E1660 HydrophobicContact CD2-CB 3.8Å; L1636-E1660 HydrophobicContact CD2-CG 4.06Å; L1656-E1660 HydrophobicContact CD1-CG 4.23Å; L1656-E1660 WeakPolarHBondContact CD1-OE1 3.28Å; L1656-E1660 HydrophobicContact CG-CG 4.46Å; L1656-E1660 WeakPolarHBondContact CG-OE1 3.45Å; L1656-E1660 WeakPolarHBondContact O-CG 3.39Å; L1656-E1660 PolarHBondContact O-N 3.34Å; L1658-E1660 VanDerWaalsContact C-N 3.34Å; E1660-V1663 PolarHBondContact O-N 3.25Å; E1660-V1664 PolarHBondContact O-N 3.03Å; E1660-L1716 HydrophobicContact CB-CD1 4.15Å; E1660-L1716 HydrophobicContact CB-CD2 4.28Å |
| 1661 | C | 83.4 | Confident | 78.5 | Confident | 21 Ų | 21 | 47.3 Ų | 47.3 | 14% | 0.142 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.5 | -38.4 | 170.6 | -65.1 | 0 | 0 | 0 | 0 | 113.3 | E1657 L1658 M1659 V1663 V1664 D1665 | E1657-C1661 PolarHBondContact O-N 3.18Å; E1657-C1661 PolarHBondContact O-SG 3.32Å; L1658-C1661 CarbonylContact O-C 3.47Å; L1658-C1661 WeakPolarHBondContact O-CA 3.28Å; L1658-C1661 WeakPolarHBondContact O-CB 3.45Å; L1658-C1661 PolarHBondContact O-N 3.18Å; M1659-C1661 VanDerWaalsContact C-N 3.29Å; C1661-V1663 VanDerWaalsContact C-N 3.26Å; C1661-V1663 PolarHBondContact O-N 3.27Å; C1661-V1664 CarbonylContact O-C 3.57Å; C1661-V1664 PolarHBondContact O-N 2.9Å; C1661-V1664 VanDerWaalsContact O-N 3.08Å; C1661-D1665 PolarHBondContact O-N 3.49Å |
| 1662 | E | 84 | Confident | 79.5 | Confident | 99 Ų | 99 | 43.9 Ų | 43.9 | 46% | 0.463 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.6 | -34.1 | 175.9 | -73.5 | -173 | 169 | 0 | 0 | 113 | L1602 L1658 M1659 D1665 L1666 | L1602-E1662 HydrophobicContact CD1-CB 4.24Å; L1658-E1662 PolarHBondContact O-N 2.93Å; M1659-E1662 WeakPolarHBondContact CE-OE2 3.36Å; M1659-E1662 PolarHBondContact O-N 2.96Å; E1662-D1665 PolarHBondContact O-N 3.44Å; E1662-L1666 PolarHBondContact O-N 3.31Å |
| 1663 | V | 86.7 | Confident | 80.3 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.6 | -37.2 | 174.3 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | V1598 F1601 L1602 I1632 F1635 L1636 M1659 E1660 C1661 D1665 L1666 I1667 | V1598-V1663 HydrophobicContact CG2-CG2 3.77Å; F1601-V1663 HydrophobicContact CE1-CG1 4.47Å; L1602-V1663 HydrophobicContact CD2-CG2 4.15Å; I1632-V1663 HydrophobicContact CG1-CG1 4.16Å; I1632-V1663 HydrophobicContact CG2-CG1 4.13Å; F1635-V1663 HydrophobicContact CD1-CG2 3.89Å; F1635-V1663 HydrophobicContact CE1-CG2 3.95Å; L1636-V1663 HydrophobicContact CD1-CG1 4.45Å; M1659-V1663 PolarHBondContact O-N 3.13Å; E1660-V1663 PolarHBondContact O-N 3.25Å; C1661-V1663 VanDerWaalsContact C-N 3.26Å; C1661-V1663 PolarHBondContact O-N 3.27Å; V1663-D1665 VanDerWaalsContact C-N 3.3Å; V1663-L1666 PolarHBondContact O-N 3.38Å; V1663-I1667 PolarHBondContact O-N 2.81Å |
| 1664 | V | 85.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.2 | -31.9 | 171.9 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | L1636 E1660 C1661 I1667 R1668 L1690 L1716 A1719 T1723 | L1636-V1664 HydrophobicContact CD1-CG2 4.24Å; E1660-V1664 PolarHBondContact O-N 3.03Å; C1661-V1664 CarbonylContact O-C 3.57Å; C1661-V1664 PolarHBondContact O-N 2.9Å; C1661-V1664 VanDerWaalsContact O-N 3.08Å; V1664-I1667 WeakPolarHBondContact O-CB 3.23Å; V1664-I1667 PolarHBondContact O-N 3.17Å; V1664-R1668 PolarHBondContact O-N 3.23Å; V1664-L1690 HydrophobicContact CG1-CD2 4.14Å; V1664-L1716 HydrophobicContact CG2-CD1 3.82Å; V1664-A1719 HydrophobicContact CB-CB 4.47Å; V1664-A1719 HydrophobicContact CG1-CB 4.09Å; V1664-T1723 WeakPolarHBondContact CG1-OG1 3.49Å |
| 1665 | D | 85.2 | Confident | 81.5 | Confident | 63 Ų | 63 | 37.5 Ų | 37.5 | 34% | 0.337 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -73.2 | -33.1 | 175.6 | -78.7 | 23.1 | 0 | 0 | 0 | 112 | C1661 E1662 V1663 I1667 R1668 C1669 | C1661-D1665 PolarHBondContact O-N 3.49Å; E1662-D1665 PolarHBondContact O-N 3.44Å; V1663-D1665 VanDerWaalsContact C-N 3.3Å; D1665-I1667 VanDerWaalsContact C-N 3.32Å; D1665-I1667 PolarHBondContact O-N 3.11Å; D1665-R1668 VanDerWaalsContact CG-NH1 3.26Å; D1665-R1668 PolarHBondContact O-N 3.31Å; D1665-R1668 IonicContact OD1-CZ 3.12Å; D1665-R1668 IonicContact OD1-NH1 2.71Å; D1665-R1668 PolarHBondContact OD1-NH1 3.18Å; D1665-R1668 IonicContact OD1-NH2 2.69Å; D1665-R1668 PolarHBondContact OD1-NH2 3.34Å; D1665-R1668 IonicContact OD2-NH1 3.66Å; D1665-R1668 PolarHBondContact OD2-NH1 3.15Å; D1665-C1669 WeakPolarHBondContact O-CB 3.47Å; D1665-C1669 PolarHBondContact O-N 3.32Å; D1665-C1669 PolarHBondContact O-SG 3.49Å |
| 1666 | L | 87 | Confident | 81.8 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.8 | -44.4 | 166.7 | -179.1 | 73 | 0 | 0 | 0 | 110.9 | F1601 L1602 A1605 R1606 E1662 V1663 E1670 I1671 | F1601-L1666 HydrophobicContact CE1-CD2 4.08Å; F1601-L1666 HydrophobicContact CZ-CD2 4.46Å; L1602-L1666 HydrophobicContact CD2-CB 3.93Å; L1602-L1666 HydrophobicContact CD2-CD2 3.83Å; L1602-L1666 HydrophobicContact CD2-CG 4.34Å; A1605-L1666 HydrophobicContact CB-CD2 3.93Å; R1606-L1666 HydrophobicContact CG-CD1 3.99Å; E1662-L1666 PolarHBondContact O-N 3.31Å; V1663-L1666 PolarHBondContact O-N 3.38Å; L1666-E1670 HydrophobicContact CD1-CB 4.07Å; L1666-E1670 HydrophobicContact CD1-CG 4.36Å; L1666-E1670 PolarHBondContact O-N 2.91Å; L1666-I1671 HydrophobicContact CD2-CD1 4.27Å; L1666-I1671 HydrophobicContact CG-CD1 4.25Å; L1666-I1671 HydrophobicContact CG-CG1 4.29Å; L1666-I1671 PolarHBondContact O-N 2.59Å; L1666-I1671 VanDerWaalsContact O-N 3.07Å |
| 1667 | I | 85.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -59.7 | -50.6 | 176.3 | -65.7 | 165.4 | 0 | 0 | 0 | 110.5 | I1632 V1663 V1664 D1665 I1671 L1672 I1686 L1690 | I1632-I1667 HydrophobicContact CG2-CD1 4.15Å; V1663-I1667 PolarHBondContact O-N 2.81Å; V1664-I1667 WeakPolarHBondContact O-CB 3.23Å; V1664-I1667 PolarHBondContact O-N 3.17Å; D1665-I1667 VanDerWaalsContact C-N 3.32Å; D1665-I1667 PolarHBondContact O-N 3.11Å; I1667-I1671 HydrophobicContact CG1-CD1 4.03Å; I1667-I1671 PolarHBondContact O-N 3.45Å; I1667-L1672 HydrophobicContact CG2-CD1 4.06Å; I1667-L1672 HydrophobicContact CG2-CG 4.06Å; I1667-L1672 WeakPolarHBondContact O-CG 3.45Å; I1667-L1672 PolarHBondContact O-N 3.5Å; I1667-I1686 HydrophobicContact CD1-CD1 4.45Å; I1667-I1686 HydrophobicContact CG1-CG2 4.48Å; I1667-I1686 HydrophobicContact CG2-CG2 3.58Å; I1667-L1690 HydrophobicContact CD1-CD2 4.4Å; I1667-L1690 HydrophobicContact CG2-CD1 3.95Å; I1667-L1690 HydrophobicContact CG2-CD2 4.37Å; I1667-L1690 HydrophobicContact CG2-CG 4.4Å |
| 1668 | R | 83.4 | Confident | 82.3 | Confident | 55 Ų | 55 | 40.8 Ų | 40.8 | 21% | 0.208 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -65.5 | -44.4 | -177.1 | -168.5 | -170.8 | -51.6 | 124.8 | 17.3 | 113.4 | V1664 D1665 P1673 T1723 | V1664-R1668 PolarHBondContact O-N 3.23Å; D1665-R1668 VanDerWaalsContact CG-NH1 3.26Å; D1665-R1668 PolarHBondContact O-N 3.31Å; D1665-R1668 IonicContact OD1-CZ 3.12Å; D1665-R1668 IonicContact OD1-NH1 2.71Å; D1665-R1668 PolarHBondContact OD1-NH1 3.18Å; D1665-R1668 IonicContact OD1-NH2 2.69Å; D1665-R1668 PolarHBondContact OD1-NH2 3.34Å; D1665-R1668 IonicContact OD2-NH1 3.66Å; D1665-R1668 PolarHBondContact OD2-NH1 3.15Å; R1668-P1673 WeakPolarHBondContact O-CD 3.47Å; R1668-T1723 HydrophobicContact CB-CG2 3.82Å; R1668-T1723 HydrophobicContact CG-CG2 4.03Å; R1668-T1723 PolarHBondContact NE-OG1 3.37Å; R1668-T1723 PolarHBondContact NH2-OG1 2.93Å; R1668-T1723 VanDerWaalsContact NH2-OG1 3.09Å |
| 1669 | C | 83 | Confident | 82.4 | Confident | 79 Ų | 79 | 38.2 Ų | 38.2 | 53% | 0.534 | 20% | 0.198 | S | C | . | . | I | π-helix | trans | -96.2 | -20.8 | -166.9 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | D1665 | D1665-C1669 WeakPolarHBondContact O-CB 3.47Å; D1665-C1669 PolarHBondContact O-N 3.32Å; D1665-C1669 PolarHBondContact O-SG 3.49Å |
| 1670 | E | 83.4 | Confident | 82.1 | Confident | 43 Ų | 43 | 39 Ų | 39 | 20% | 0.201 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -132.2 | -43.1 | -171.9 | -58.1 | -169.3 | -113.8 | 0 | 0 | 113.8 | R1606 L1609 L1666 S1674 | R1606-E1670 IonicContact CZ-OE1 2.69Å; R1606-E1670 VanDerWaalsContact CZ-OE1 3.29Å; R1606-E1670 IonicContact NE-OE1 3.9Å; R1606-E1670 PolarHBondContact NE-OE1 3.19Å; R1606-E1670 IonicContact NE-OE2 2.72Å; R1606-E1670 IonicContact NH2-OE1 3.02Å; R1606-E1670 PolarHBondContact NH2-OE1 3.38Å; L1609-E1670 WeakPolarHBondContact CD2-O 3.47Å; L1666-E1670 HydrophobicContact CD1-CB 4.07Å; L1666-E1670 HydrophobicContact CD1-CG 4.36Å; L1666-E1670 PolarHBondContact O-N 2.91Å; E1670-S1674 WeakPolarHBondContact O-CB 3.35Å; E1670-S1674 PolarHBondContact O-N 3.38Å; E1670-S1674 PolarHBondContact O-OG 2.96Å |
| 1671 | I | 85.1 | Confident | 81.9 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -72.7 | -58.4 | -178.7 | -56.1 | -177.3 | 0 | 0 | 0 | 111.2 | L1609 I1632 L1666 I1667 S1674 A1675 L1678 F1682 | L1609-I1671 HydrophobicContact CD1-CG1 4.07Å; I1632-I1671 HydrophobicContact CD1-CD1 4.34Å; L1666-I1671 HydrophobicContact CD2-CD1 4.27Å; L1666-I1671 HydrophobicContact CG-CD1 4.25Å; L1666-I1671 HydrophobicContact CG-CG1 4.29Å; L1666-I1671 PolarHBondContact O-N 2.59Å; L1666-I1671 VanDerWaalsContact O-N 3.07Å; I1667-I1671 HydrophobicContact CG1-CD1 4.03Å; I1667-I1671 PolarHBondContact O-N 3.45Å; I1671-S1674 CarbonylContact O-C 3.52Å; I1671-S1674 WeakPolarHBondContact O-CA 3.21Å; I1671-S1674 WeakPolarHBondContact O-CB 3.39Å; I1671-S1674 PolarHBondContact O-N 2.97Å; I1671-A1675 PolarHBondContact O-N 2.98Å; I1671-L1678 HydrophobicContact CG2-CD1 3.71Å; I1671-F1682 HydrophobicContact CG2-CE1 3.79Å; I1671-F1682 HydrophobicContact CG2-CZ 4.46Å |
| 1672 | L | 81.5 | Confident | 81.9 | Confident | 13 Ų | 13 | 44.5 Ų | 44.5 | 7% | 0.068 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -60.4 | -44.6 | -178.6 | -65.9 | 175.4 | 0 | 0 | 0 | 112.6 | I1667 S1674 A1675 M1687 L1690 T1723 A1727 | I1667-L1672 HydrophobicContact CG2-CD1 4.06Å; I1667-L1672 HydrophobicContact CG2-CG 4.06Å; I1667-L1672 WeakPolarHBondContact O-CG 3.45Å; I1667-L1672 PolarHBondContact O-N 3.5Å; L1672-S1674 PolarHBondContact O-N 3.19Å; L1672-A1675 WeakPolarHBondContact O-CB 3.32Å; L1672-A1675 PolarHBondContact O-N 2.98Å; L1672-M1687 HydrophobicContact CD1-CE 4.4Å; L1672-M1687 HydrophobicContact CD2-CE 3.62Å; L1672-M1687 HydrophobicContact CD2-SD 4.45Å; L1672-L1690 HydrophobicContact CD1-CD1 4.46Å; L1672-T1723 HydrophobicContact CD1-CG2 4.05Å; L1672-A1727 HydrophobicContact CD1-CB 4.36Å |
| 1673 | P | 79.7 | Confident | 81.8 | Confident | 77 Ų | 77 | 40.5 Ų | 40.5 | 50% | 0.5 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -58.5 | -14.4 | 171.6 | -28 | 39 | 0 | 0 | 0 | 115.3 | R1668 | R1668-P1673 WeakPolarHBondContact O-CD 3.47Š|
| 1674 | S | 78.8 | Confident | 81.4 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -103.9 | 1.4 | 177.3 | -50.1 | 0 | 0 | 0 | 0 | 114.4 | L1609 R1613 E1670 I1671 L1672 K1676 Y1677 | L1609-S1674 VanDerWaalsContact CD2-CB 3.5Å; L1609-S1674 VanDerWaalsContact CD2-OG 3.3Å; L1609-S1674 WeakPolarHBondContact CD2-OG 3.45Å; R1613-S1674 PolarHBondContact NE-OG 3.09Å; R1613-S1674 PolarHBondContact NH2-OG 3.22Å; E1670-S1674 WeakPolarHBondContact O-CB 3.35Å; E1670-S1674 PolarHBondContact O-N 3.38Å; E1670-S1674 PolarHBondContact O-OG 2.96Å; I1671-S1674 CarbonylContact O-C 3.52Å; I1671-S1674 WeakPolarHBondContact O-CA 3.21Å; I1671-S1674 WeakPolarHBondContact O-CB 3.39Å; I1671-S1674 PolarHBondContact O-N 2.97Å; L1672-S1674 PolarHBondContact O-N 3.19Å; S1674-K1676 PolarHBondContact O-N 3.23Å; S1674-Y1677 PolarHBondContact O-N 2.81Å |
| 1675 | A | 77.4 | Confident | 81.3 | Confident | 20 Ų | 20 | 44.4 Ų | 44.4 | 17% | 0.165 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -49.8 | -33.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115 | I1671 L1672 Y1677 L1678 V1683 E1749 | I1671-A1675 PolarHBondContact O-N 2.98Å; L1672-A1675 WeakPolarHBondContact O-CB 3.32Å; L1672-A1675 PolarHBondContact O-N 2.98Å; A1675-Y1677 PolarHBondContact O-N 3.32Å; A1675-L1678 PolarHBondContact O-N 2.69Å; A1675-L1678 VanDerWaalsContact O-N 3.11Å; A1675-V1683 HydrophobicContact CB-CG1 4.27Å; A1675-V1683 HydrophobicContact CB-CG2 4.04Å; A1675-E1749 HydrophobicContact CB-CG 4.38Å |
| 1676 | K | 75.3 | Confident | 81.2 | Confident | 155 Ų | 155 | 41.4 Ų | 41.4 | 67% | 0.674 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -60 | -10.6 | 173.3 | 55 | 158 | 167.9 | 160.6 | 0 | 116 | S1674 | S1674-K1676 PolarHBondContact O-N 3.23Š|
| 1677 | Y | 79.6 | Confident | 80.9 | Confident | 76 Ų | 76 | 42 Ų | 42 | 30% | 0.298 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -115.6 | 5.9 | 179.1 | -56.3 | -61.6 | 0 | 0 | 0 | 112.9 | R1613 P1616 S1674 A1675 | R1613-Y1677 HydrophobicContact CG-CD2 3.83Å; R1613-Y1677 HydrophobicContact CG-CE2 4.03Å; P1616-Y1677 HydrophobicContact CB-CD1 3.9Å; S1674-Y1677 PolarHBondContact O-N 2.81Å; A1675-Y1677 PolarHBondContact O-N 3.32Å |
| 1678 | L | 81.3 | Confident | 80.5 | Confident | 19 Ų | 19 | 47 Ų | 47 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -118.6 | 156.9 | -173.3 | -58.9 | 176.7 | 0 | 0 | 0 | 110.9 | W1625 I1671 A1675 F1682 V1683 | W1625-L1678 HydrophobicContact CD2-CD2 4.22Å; W1625-L1678 HydrophobicContact CH2-CD2 3.87Å; W1625-L1678 HydrophobicContact CZ2-CD2 3.42Å; W1625-L1678 VanDerWaalsContact CZ2-CD2 3.42Å; W1625-L1678 HydrophobicContact CZ3-CD2 4.38Å; I1671-L1678 HydrophobicContact CG2-CD1 3.71Å; A1675-L1678 PolarHBondContact O-N 2.69Å; A1675-L1678 VanDerWaalsContact O-N 3.11Å; L1678-F1682 HydrophobicContact CB-CD1 4.48Å; L1678-F1682 HydrophobicContact CD1-CD1 4.36Å; L1678-F1682 HydrophobicContact CD1-CE1 4.17Å; L1678-V1683 HydrophobicContact CB-CG2 4.1Å |
| 1679 | P | 80.8 | Confident | 80.5 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 22% | 0.221 | 25% | 0.254 | C | S | . | . | trans | -60.7 | 136.7 | 174 | -23.4 | 34.5 | 0 | 0 | 0 | 112.2 | W1625 D1681 F1682 V1683 | W1625-P1679 VanDerWaalsContact CD1-CD 3.49Å; W1625-P1679 HydrophobicContact CG-CG 4.35Å; P1679-D1681 VanDerWaalsContact C-N 3.31Å; P1679-D1681 PolarHBondContact O-N 3.12Å; P1679-F1682 HydrophobicContact CB-CB 4.25Å; P1679-F1682 WeakPolarHBondContact O-CB 3.05Å; P1679-F1682 PolarHBondContact O-N 3.01Å; P1679-V1683 PolarHBondContact O-N 2.74Å | ||
| 1680 | A | 73.5 | Confident | 80.3 | Confident | 48 Ų | 48 | 41 Ų | 41 | 40% | 0.397 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.6 | -40.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1682 V1683 S1684 | A1680-F1682 VanDerWaalsContact C-N 3.32Å; A1680-F1682 PolarHBondContact O-N 2.99Å; A1680-V1683 PolarHBondContact O-N 3.4Å; A1680-S1684 PolarHBondContact O-N 3.24Å |
| 1681 | D | 79.1 | Confident | 79.9 | Confident | 136 Ų | 136 | 40.5 Ų | 40.5 | 73% | 0.727 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -63 | -37.7 | 178.8 | -57.6 | -32.4 | 0 | 0 | 0 | 112.1 | P1679 S1684 A1685 | P1679-D1681 VanDerWaalsContact C-N 3.31Å; P1679-D1681 PolarHBondContact O-N 3.12Å; D1681-S1684 PolarHBondContact O-N 2.76Å; D1681-A1685 WeakPolarHBondContact O-CB 3.48Å; D1681-A1685 PolarHBondContact O-N 3.41Å |
| 1682 | F | 84.8 | Confident | 79.5 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 5% | 0.053 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.7 | -44 | 175.2 | 173.4 | -96.3 | 0 | 0 | 0 | 111.2 | W1625 V1628 L1629 I1671 L1678 P1679 A1680 S1684 A1685 I1686 | W1625-F1682 HydrophobicContact CB-CB 4.45Å; W1625-F1682 HydrophobicContact CB-CD2 3.84Å; W1625-F1682 HydrophobicContact CB-CE2 4.25Å; W1625-F1682 HydrophobicContact CB-CG 4.1Å; W1625-F1682 HydrophobicContact CE3-CE1 4.2Å; W1625-F1682 HydrophobicContact CE3-CE2 4.31Å; W1625-F1682 AromaticContact CE3-CZ 3.97Å; W1625-F1682 HydrophobicContact CE3-CZ 3.97Å; W1625-F1682 WeakPolarHBondContact O-CD2 3.39Å; W1625-F1682 VanDerWaalsContact O-CE2 3.3Å; W1625-F1682 WeakPolarHBondContact O-CE2 3.4Å; V1628-F1682 HydrophobicContact CB-CE2 4.29Å; V1628-F1682 HydrophobicContact CG1-CE2 4.04Å; V1628-F1682 HydrophobicContact CG1-CZ 3.92Å; L1629-F1682 HydrophobicContact CB-CD2 4.02Å; L1629-F1682 HydrophobicContact CB-CE2 3.87Å; I1671-F1682 HydrophobicContact CG2-CE1 3.79Å; I1671-F1682 HydrophobicContact CG2-CZ 4.46Å; L1678-F1682 HydrophobicContact CB-CD1 4.48Å; L1678-F1682 HydrophobicContact CD1-CD1 4.36Å; L1678-F1682 HydrophobicContact CD1-CE1 4.17Å; P1679-F1682 HydrophobicContact CB-CB 4.25Å; P1679-F1682 WeakPolarHBondContact O-CB 3.05Å; P1679-F1682 PolarHBondContact O-N 3.01Å; A1680-F1682 VanDerWaalsContact C-N 3.32Å; A1680-F1682 PolarHBondContact O-N 2.99Å; F1682-S1684 VanDerWaalsContact C-N 3.34Å; F1682-S1684 PolarHBondContact O-N 3.05Å; F1682-A1685 PolarHBondContact O-N 3.2Å; F1682-I1686 HydrophobicContact CD1-CG1 4.37Å; F1682-I1686 HydrophobicContact CE1-CG1 4.01Å; F1682-I1686 HydrophobicContact CE2-CD1 4.35Å; F1682-I1686 HydrophobicContact CE2-CG1 4.24Å; F1682-I1686 HydrophobicContact CZ-CD1 4.1Å; F1682-I1686 HydrophobicContact CZ-CG1 3.94Å; F1682-I1686 VanDerWaalsContact O-CG1 3.29Å; F1682-I1686 WeakPolarHBondContact O-CG1 3.5Å; F1682-I1686 PolarHBondContact O-N 2.75Å |
| 1683 | V | 81.9 | Confident | 79.1 | Confident | 15 Ų | 15 | 44.1 Ų | 44.1 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.4 | -40.5 | 176.3 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | A1675 L1678 P1679 A1680 I1686 M1687 | A1675-V1683 HydrophobicContact CB-CG1 4.27Å; A1675-V1683 HydrophobicContact CB-CG2 4.04Å; L1678-V1683 HydrophobicContact CB-CG2 4.1Å; P1679-V1683 PolarHBondContact O-N 2.74Å; A1680-V1683 PolarHBondContact O-N 3.4Å; V1683-I1686 PolarHBondContact O-N 2.86Å; V1683-M1687 WeakPolarHBondContact O-CG 3.35Å; V1683-M1687 PolarHBondContact O-N 3.08Å |
| 1684 | S | 78.7 | Confident | 78.7 | Confident | 53 Ų | 53 | 40.8 Ų | 40.8 | 37% | 0.371 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.4 | -47.8 | 174.6 | -166 | 0 | 0 | 0 | 0 | 111.9 | A1680 D1681 F1682 I1686 M1687 D1688 | A1680-S1684 PolarHBondContact O-N 3.24Å; D1681-S1684 PolarHBondContact O-N 2.76Å; F1682-S1684 VanDerWaalsContact C-N 3.34Å; F1682-S1684 PolarHBondContact O-N 3.05Å; S1684-I1686 VanDerWaalsContact C-N 3.29Å; S1684-I1686 PolarHBondContact O-N 2.89Å; S1684-M1687 WeakPolarHBondContact O-CB 3.45Å; S1684-M1687 PolarHBondContact O-N 3.39Å; S1684-D1688 PolarHBondContact O-N 3.45Å |
| 1685 | A | 82.5 | Confident | 78 | Confident | 29 Ų | 29 | 43.4 Ų | 43.4 | 24% | 0.24 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.4 | -33.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1629 D1681 F1682 D1688 L1689 | L1629-A1685 HydrophobicContact CD1-CB 4Å; L1629-A1685 HydrophobicContact CD2-CB 3.59Å; L1629-A1685 HydrophobicContact CG-CB 4.47Å; D1681-A1685 WeakPolarHBondContact O-CB 3.48Å; D1681-A1685 PolarHBondContact O-N 3.41Å; F1682-A1685 PolarHBondContact O-N 3.2Å; A1685-D1688 PolarHBondContact O-N 2.93Å; A1685-L1689 WeakPolarHBondContact O-CB 3.28Å; A1685-L1689 PolarHBondContact O-N 2.75Å |
| 1686 | I | 83.4 | Confident | 77.2 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.2 | -36.7 | 172.2 | -71.3 | -70.3 | 0 | 0 | 0 | 111.6 | L1629 I1632 I1667 F1682 V1683 S1684 L1689 L1690 | L1629-I1686 HydrophobicContact CD1-CD1 3.77Å; L1629-I1686 HydrophobicContact CD1-CG1 4.13Å; I1632-I1686 HydrophobicContact CD1-CD1 3.76Å; I1667-I1686 HydrophobicContact CD1-CD1 4.45Å; I1667-I1686 HydrophobicContact CG1-CG2 4.48Å; I1667-I1686 HydrophobicContact CG2-CG2 3.58Å; F1682-I1686 HydrophobicContact CD1-CG1 4.37Å; F1682-I1686 HydrophobicContact CE1-CG1 4.01Å; F1682-I1686 HydrophobicContact CE2-CD1 4.35Å; F1682-I1686 HydrophobicContact CE2-CG1 4.24Å; F1682-I1686 HydrophobicContact CZ-CD1 4.1Å; F1682-I1686 HydrophobicContact CZ-CG1 3.94Å; F1682-I1686 VanDerWaalsContact O-CG1 3.29Å; F1682-I1686 WeakPolarHBondContact O-CG1 3.5Å; F1682-I1686 PolarHBondContact O-N 2.75Å; V1683-I1686 PolarHBondContact O-N 2.86Å; S1684-I1686 VanDerWaalsContact C-N 3.29Å; S1684-I1686 PolarHBondContact O-N 2.89Å; I1686-L1689 PolarHBondContact O-N 3.23Å; I1686-L1690 HydrophobicContact CG2-CD1 4.45Å; I1686-L1690 WeakPolarHBondContact O-CG 3.41Å; I1686-L1690 PolarHBondContact O-N 3.41Å |
| 1687 | M | 79.7 | Confident | 76.3 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 6% | 0.064 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.9 | -42.9 | 174.6 | -66.5 | -63.9 | -171.5 | 0 | 0 | 112.2 | L1672 V1683 S1684 L1689 L1690 Y1691 L1724 A1727 E1749 A1753 | L1672-M1687 HydrophobicContact CD1-CE 4.4Å; L1672-M1687 HydrophobicContact CD2-CE 3.62Å; L1672-M1687 HydrophobicContact CD2-SD 4.45Å; V1683-M1687 WeakPolarHBondContact O-CG 3.35Å; V1683-M1687 PolarHBondContact O-N 3.08Å; S1684-M1687 WeakPolarHBondContact O-CB 3.45Å; S1684-M1687 PolarHBondContact O-N 3.39Å; M1687-L1689 VanDerWaalsContact C-N 3.28Å; M1687-L1689 PolarHBondContact O-N 2.97Å; M1687-L1690 PolarHBondContact O-N 3.05Å; M1687-L1690 HydrophobicContact SD-CD1 4.37Å; M1687-Y1691 WeakPolarHBondContact O-CB 3.35Å; M1687-Y1691 PolarHBondContact O-N 3.03Å; M1687-L1724 HydrophobicContact SD-CD2 4.12Å; M1687-A1727 HydrophobicContact CE-CB 4.29Å; M1687-E1749 HydrophobicContact CE-CB 3.97Å; M1687-E1749 HydrophobicContact CE-CG 4.31Å; M1687-A1753 HydrophobicContact CE-CB 4.41Å; M1687-A1753 HydrophobicContact SD-CB 4.25Å |
| 1688 | D | 78.1 | Confident | 74.9 | Confident | 106 Ų | 106 | 39.8 Ų | 39.8 | 57% | 0.567 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -62.7 | -36.3 | 174.3 | -74.1 | -40.6 | 0 | 0 | 0 | 112 | S1684 A1685 Y1691 R1692 | S1684-D1688 PolarHBondContact O-N 3.45Å; A1685-D1688 PolarHBondContact O-N 2.93Å; D1688-Y1691 PolarHBondContact O-N 3.29Å; D1688-R1692 PolarHBondContact O-N 2.94Å |
| 1689 | L | 82.4 | Confident | 73.3 | Confident | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.1 | -42.7 | 177.1 | -172.1 | 156.2 | 0 | 0 | 0 | 111.7 | L1629 I1632 D1633 L1636 F1637 A1685 I1686 M1687 Y1691 R1692 G1693 | L1629-L1689 HydrophobicContact CD1-CD1 3.93Å; I1632-L1689 HydrophobicContact CB-CD1 4.38Å; I1632-L1689 HydrophobicContact CG2-CD1 3.81Å; I1632-L1689 HydrophobicContact CG2-CD2 3.69Å; I1632-L1689 HydrophobicContact CG2-CG 4.44Å; D1633-L1689 HydrophobicContact CB-CD1 3.99Å; L1636-L1689 HydrophobicContact CD1-CD2 4.06Å; F1637-L1689 HydrophobicContact CE2-CD2 3.74Å; F1637-L1689 HydrophobicContact CE2-CG 3.78Å; F1637-L1689 HydrophobicContact CZ-CD2 4.47Å; F1637-L1689 WeakPolarHBondContact CZ-O 3.2Å; A1685-L1689 WeakPolarHBondContact O-CB 3.28Å; A1685-L1689 PolarHBondContact O-N 2.75Å; I1686-L1689 PolarHBondContact O-N 3.23Å; M1687-L1689 VanDerWaalsContact C-N 3.28Å; M1687-L1689 PolarHBondContact O-N 2.97Å; L1689-Y1691 VanDerWaalsContact C-N 3.33Å; L1689-Y1691 PolarHBondContact O-N 3.47Å; L1689-R1692 PolarHBondContact O-N 3.26Å; L1689-G1693 PolarHBondContact O-N 2.69Å |
| 1690 | L | 79.4 | Confident | 71.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 170.5 | -73.6 | 171.7 | 0 | 0 | 0 | 112.1 | V1664 I1667 L1672 I1686 M1687 G1693 C1694 C1720 T1723 L1724 | V1664-L1690 HydrophobicContact CG1-CD2 4.14Å; I1667-L1690 HydrophobicContact CD1-CD2 4.4Å; I1667-L1690 HydrophobicContact CG2-CD1 3.95Å; I1667-L1690 HydrophobicContact CG2-CD2 4.37Å; I1667-L1690 HydrophobicContact CG2-CG 4.4Å; L1672-L1690 HydrophobicContact CD1-CD1 4.46Å; I1686-L1690 HydrophobicContact CG2-CD1 4.45Å; I1686-L1690 WeakPolarHBondContact O-CG 3.41Å; I1686-L1690 PolarHBondContact O-N 3.41Å; M1687-L1690 PolarHBondContact O-N 3.05Å; M1687-L1690 HydrophobicContact SD-CD1 4.37Å; L1690-G1693 WeakPolarHBondContact O-CA 3.28Å; L1690-G1693 PolarHBondContact O-N 2.86Å; L1690-C1694 PolarHBondContact O-N 3.38Å; L1690-C1694 PolarHBondContact O-SG 2.99Å; L1690-C1720 HydrophobicContact CD2-CB 4.45Å; L1690-T1723 HydrophobicContact CD1-CG2 3.78Å; L1690-T1723 HydrophobicContact CD2-CG2 4.12Å; L1690-L1724 HydrophobicContact CB-CD1 3.96Å; L1690-L1724 HydrophobicContact CB-CG 3.96Å; L1690-L1724 HydrophobicContact CD1-CG 4.47Å |
| 1691 | Y | 74.6 | Confident | 69.8 | Low | 33 Ų | 33 | 54 Ų | 54 | 13% | 0.129 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 176 | 175.8 | -97 | 0 | 0 | 0 | 111.4 | M1687 D1688 L1689 G1693 C1694 I1695 A1756 K1759 R1760 | M1687-Y1691 WeakPolarHBondContact O-CB 3.35Å; M1687-Y1691 PolarHBondContact O-N 3.03Å; D1688-Y1691 PolarHBondContact O-N 3.29Å; L1689-Y1691 VanDerWaalsContact C-N 3.33Å; L1689-Y1691 PolarHBondContact O-N 3.47Å; Y1691-G1693 VanDerWaalsContact C-N 3.29Å; Y1691-G1693 PolarHBondContact O-N 3.06Å; Y1691-C1694 WeakPolarHBondContact O-CB 3.35Å; Y1691-C1694 PolarHBondContact O-N 3.28Å; Y1691-I1695 HydrophobicContact CD1-CD1 3.88Å; Y1691-I1695 HydrophobicContact CE1-CD1 3.34Å; Y1691-I1695 HydrophobicContact CE2-CD1 4.49Å; Y1691-A1756 HydrophobicContact CD2-CB 3.8Å; Y1691-A1756 HydrophobicContact CE2-CB 4.33Å; Y1691-A1756 HydrophobicContact CG-CB 4.49Å; Y1691-K1759 WeakPolarHBondContact OH-CD 3.45Å; Y1691-K1759 WeakPolarHBondContact OH-CE 3.48Å; Y1691-K1759 PolarHBondContact OH-NZ 2.75Å; Y1691-R1760 HydrophobicContact CE2-CB 4.38Å |
| 1692 | R | 76.8 | Confident | 67.9 | Low | 87 Ų | 87 | 51 Ų | 51 | 33% | 0.328 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 172.7 | -153.3 | 170.6 | 90.9 | -136.1 | 15.8 | 112 | D1633 F1637 D1688 L1689 C1694 I1695 D1696 | D1633-R1692 IonicContact OD1-CZ 2.67Å; D1633-R1692 IonicContact OD1-NH1 3.41Å; D1633-R1692 PolarHBondContact OD1-NH1 3.11Å; D1633-R1692 IonicContact OD1-NH2 3.45Å; D1633-R1692 PolarHBondContact OD1-NH2 2.94Å; D1633-R1692 IonicContact OD2-NH2 2.69Å; F1637-R1692 HydrophobicContact CE1-CB 4.28Å; F1637-R1692 HydrophobicContact CE1-CG 4.35Å; F1637-R1692 HydrophobicContact CZ-CB 4.23Å; D1688-R1692 PolarHBondContact O-N 2.94Å; L1689-R1692 PolarHBondContact O-N 3.26Å; R1692-C1694 PolarHBondContact O-N 3.44Å; R1692-I1695 PolarHBondContact O-N 2.99Å; R1692-D1696 IonicContact NE-OD2 3.2Å; R1692-D1696 PolarHBondContact O-N 2.92Å |
| 1693 | G | 73.6 | Confident | 65.3 | Low | 4 Ų | 4 | 61.6 Ų | 61.6 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.7 | -22.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115 | L1689 L1690 Y1691 | L1689-G1693 PolarHBondContact O-N 2.69Å; L1690-G1693 WeakPolarHBondContact O-CA 3.28Å; L1690-G1693 PolarHBondContact O-N 2.86Å; Y1691-G1693 VanDerWaalsContact C-N 3.29Å; Y1691-G1693 PolarHBondContact O-N 3.06Å |
| 1694 | C | 70.2 | Confident | 62.9 | Low | 6 Ų | 6 | 66.6 Ų | 66.6 | 4% | 0.041 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -7.6 | 172.9 | -58.1 | 0 | 0 | 0 | 0 | 113.4 | L1690 Y1691 R1692 F1721 R1760 | L1690-C1694 PolarHBondContact O-N 3.38Å; L1690-C1694 PolarHBondContact O-SG 2.99Å; Y1691-C1694 WeakPolarHBondContact O-CB 3.35Å; Y1691-C1694 PolarHBondContact O-N 3.28Å; R1692-C1694 PolarHBondContact O-N 3.44Å; C1694-F1721 VanDerWaalsContact SG-CA 3.58Å; C1694-F1721 PolarHBondContact SG-N 2.87Å; C1694-F1721 VanDerWaalsContact SG-N 3.45Å; C1694-R1760 PolarHBondContact O-NH2 3.05Å |
| 1695 | I | 65.6 | Low | 60.7 | Low | 58 Ų | 58 | 67.5 Ų | 67.5 | 30% | 0.297 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -43.9 | -175.6 | -67 | 171.9 | 0 | 0 | 0 | 111.4 | Y1691 R1692 G1697 | Y1691-I1695 HydrophobicContact CD1-CD1 3.88Å; Y1691-I1695 HydrophobicContact CE1-CD1 3.34Å; Y1691-I1695 HydrophobicContact CE2-CD1 4.49Å; R1692-I1695 PolarHBondContact O-N 2.99Å; I1695-G1697 PolarHBondContact O-N 3.48Å |
| 1696 | D | 59.9 | Low | 58.5 | Low | 78 Ų | 78 | 74 Ų | 74 | 42% | 0.417 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 27.6 | -171.8 | -68.4 | -5.3 | 0 | 0 | 0 | 114.3 | F1637 R1692 N1713 | F1637-D1696 HydrophobicContact CD1-CB 4.23Å; F1637-D1696 WeakPolarHBondContact CD1-OD2 3.28Å; F1637-D1696 HydrophobicContact CE1-CB 4.17Å; R1692-D1696 IonicContact NE-OD2 3.2Å; R1692-D1696 PolarHBondContact O-N 2.92Å; D1696-N1713 PolarHBondContact O-ND2 3.13Å |
| 1697 | G | 56.1 | Low | 56.4 | Low | 20 Ų | 20 | 77.1 Ų | 77.1 | 21% | 0.206 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -14.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I1695 | I1695-G1697 PolarHBondContact O-N 3.48Š|
| 1698 | H | 51.2 | Low | 54.6 | Low | 76 Ų | 76 | 84.8 Ų | 84.8 | 35% | 0.352 | 49% | 0.494 | S | S | . | . | trans | -133.8 | 72.2 | -169.9 | -70.5 | -46.9 | 0 | 0 | 0 | 114.9 | L1700 Y1783 | H1698-L1700 PolarHBondContact O-N 3.17Å; H1698-L1700 VanDerWaalsContact O-N 3.11Å; H1698-Y1783 AromaticContact CE1-CD2 3.19Å; H1698-Y1783 WeakPolarHBondContact CE1-CD2 3.39Å; H1698-Y1783 AromaticContact CE1-CE2 3.26Å; H1698-Y1783 WeakPolarHBondContact CE1-CE2 3.47Å; H1698-Y1783 AromaticContact CE1-CG 3.99Å; H1698-Y1783 AromaticContact ND1-CE2 3.91Å; H1698-Y1783 AromaticContact NE2-CD2 3.38Å; H1698-Y1783 WeakPolarHBondContact NE2-CD2 3.5Å; H1698-Y1783 AromaticContact NE2-CE2 3.6Å | ||
| 1699 | D | 47.9 | Very low | 53.1 | Low | 149 Ų | 149 | 83.9 Ų | 83.9 | 80% | 0.797 | 49% | 0.489 | S | S | * | . | trans | -81.5 | 80.4 | 170 | -144.9 | -12.7 | 0 | 0 | 0 | 110.7 | T1701 | D1699-T1701 VanDerWaalsContact C-N 3.29Å; D1699-T1701 PolarHBondContact O-N 3.05Å | ||
| 1700 | L | 41.7 | Very low | 51.4 | Low | 127 Ų | 127 | 90.2 Ų | 90.2 | 67% | 0.665 | 52% | 0.518 | S | S | * | . | trans | -80.2 | 62.8 | -174.2 | -85.9 | 168.8 | 0 | 0 | 0 | 113.3 | H1698 | H1698-L1700 PolarHBondContact O-N 3.17Å; H1698-L1700 VanDerWaalsContact O-N 3.11Å | ||
| 1701 | T | 38.1 | Very low | 50.1 | Low | 123 Ų | 123 | 99.3 Ų | 99.3 | 76% | 0.755 | 55% | 0.553 | S | S | * | * | trans | -128.7 | 56.4 | 179.4 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | D1699 | D1699-T1701 VanDerWaalsContact C-N 3.29Å; D1699-T1701 PolarHBondContact O-N 3.05Å | ||
| 1702 | G | 38.9 | Very low | 49 | Very low | 73 Ų | 73 | 102.6 Ų | 102.6 | 75% | 0.753 | 57% | 0.568 | S | S | * | * | trans | -174.8 | 61.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | S1704 | G1702-S1704 PolarHBondContact O-N 3.49Š| ||
| 1703 | Y | 29.7 | Very low | 48.4 | Very low | 235 Ų | 235 | 101.2 Ų | 101.2 | 92% | 0.922 | 57% | 0.567 | S | S | * | * | trans | -74 | 89.6 | 174.7 | -115.8 | -85.6 | 0 | 0 | 0 | 112.1 | ||||
| 1704 | S | 33.6 | Very low | 48 | Very low | 120 Ų | 120 | 104.9 Ų | 104.9 | 84% | 0.839 | 59% | 0.585 | S | S | * | * | trans | -164 | 100.9 | 166.8 | -83.6 | 0 | 0 | 0 | 0 | 114 | G1702 | G1702-S1704 PolarHBondContact O-N 3.49Š| ||
| 1705 | G | 32.4 | Very low | 48 | Very low | 73 Ų | 73 | 109.4 Ų | 109.4 | 75% | 0.753 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 87.3 | 130.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 1706 | N | 36 | Very low | 48.5 | Very low | 166 Ų | 166 | 107.2 Ų | 107.2 | 89% | 0.888 | 59% | 0.594 | S | S | * | * | trans | 59.7 | 91.2 | 161.8 | -57.9 | -11.5 | 0 | 0 | 0 | 117.2 | ||||
| 1707 | G | 38.4 | Very low | 49.2 | Very low | 65 Ų | 65 | 104.9 Ų | 104.9 | 67% | 0.67 | 58% | 0.584 | S | S | * | * | trans | -66.3 | 130.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1708 | L | 42.8 | Very low | 50.1 | Low | 174 Ų | 174 | 106.2 Ų | 106.2 | 91% | 0.911 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -179.4 | -19.8 | 162.9 | -106.3 | 167.5 | 0 | 0 | 0 | 111.9 | ||
| 1709 | D | 45.7 | Very low | 51.4 | Low | 86 Ų | 86 | 103.1 Ų | 103.1 | 46% | 0.46 | 57% | 0.574 | S | S | . | * | trans | -105 | 30.3 | -170.8 | -167.1 | 24 | 0 | 0 | 0 | 113.7 | K1653 R1711 K1712 | K1653-D1709 IonicContact NZ-OD1 2.67Å; K1653-D1709 PolarHBondContact NZ-OD1 3.45Å; D1709-R1711 PolarHBondContact O-N 2.97Å; D1709-K1712 VanDerWaalsContact CG-NZ 3.26Å; D1709-K1712 VanDerWaalsContact O-CE 3.26Å; D1709-K1712 WeakPolarHBondContact O-CE 3.38Å; D1709-K1712 PolarHBondContact O-NZ 2.94Å; D1709-K1712 WeakPolarHBondContact OD1-CE 3.46Å; D1709-K1712 IonicContact OD1-NZ 3.86Å; D1709-K1712 WeakPolarHBondContact OD2-CE 3.43Å; D1709-K1712 IonicContact OD2-NZ 3.96Å; D1709-K1712 PolarHBondContact OD2-NZ 2.93Å | ||
| 1710 | E | 46.2 | Very low | 52.9 | Low | 141 Ų | 141 | 96.1 Ų | 96.1 | 66% | 0.659 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 12.7 | -175.6 | -62.4 | -170.7 | 160.7 | 0 | 0 | 115 | ||
| 1711 | R | 52.2 | Low | 54.5 | Low | 192 Ų | 192 | 90.8 Ų | 90.8 | 73% | 0.725 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 1.2 | -178 | -79.2 | -168.4 | 178.3 | -173.7 | -0.3 | 115.8 | D1709 N1713 | D1709-R1711 PolarHBondContact O-N 2.97Å; R1711-N1713 PolarHBondContact O-N 3.45Å |
| 1712 | K | 52.6 | Low | 56.3 | Low | 102 Ų | 102 | 90.4 Ų | 90.4 | 44% | 0.443 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 127.8 | -166.2 | -65.4 | 162.1 | -174.9 | 156.2 | 0 | 111.8 | D1709 L1714 | D1709-K1712 VanDerWaalsContact CG-NZ 3.26Å; D1709-K1712 VanDerWaalsContact O-CE 3.26Å; D1709-K1712 WeakPolarHBondContact O-CE 3.38Å; D1709-K1712 PolarHBondContact O-NZ 2.94Å; D1709-K1712 WeakPolarHBondContact OD1-CE 3.46Å; D1709-K1712 IonicContact OD1-NZ 3.86Å; D1709-K1712 WeakPolarHBondContact OD2-CE 3.43Å; D1709-K1712 IonicContact OD2-NZ 3.96Å; D1709-K1712 PolarHBondContact OD2-NZ 2.93Å; K1712-L1714 PolarHBondContact O-N 3.45Å |
| 1713 | N | 63.1 | Low | 58.2 | Low | 57 Ų | 57 | 87 Ų | 87 | 31% | 0.305 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 13.5 | 171.2 | -46.2 | 1.8 | 0 | 0 | 0 | 116.1 | E1657 D1696 R1711 S1717 | E1657-N1713 VanDerWaalsContact OE1-C 3.3Å; E1657-N1713 VanDerWaalsContact OE1-CA 3.26Å; E1657-N1713 WeakPolarHBondContact OE1-CA 3.49Å; D1696-N1713 PolarHBondContact O-ND2 3.13Å; R1711-N1713 PolarHBondContact O-N 3.45Å; N1713-S1717 WeakPolarHBondContact O-CB 3.5Å; N1713-S1717 PolarHBondContact O-N 3.41Å |
| 1714 | L | 65.9 | Low | 60.4 | Low | 81 Ų | 81 | 76 Ų | 76 | 42% | 0.424 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -70.7 | -31.8 | -178.5 | -175.1 | 61.1 | 0 | 0 | 0 | 112.4 | E1657 K1712 N1718 | E1657-L1714 PolarHBondContact OE1-N 2.89Å; K1712-L1714 PolarHBondContact O-N 3.45Å; L1714-N1718 WeakPolarHBondContact O-CB 3.39Å; L1714-N1718 PolarHBondContact O-N 3.44Å; L1714-N1718 PolarHBondContact O-ND2 3.41Å |
| 1715 | E | 69.7 | Low | 62.4 | Low | 101 Ų | 101 | 71.7 Ų | 71.7 | 47% | 0.472 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -76.2 | -42.5 | 179.2 | -65.2 | -174.5 | 176.9 | 0 | 0 | 110.5 | E1657 N1718 A1719 | E1657-E1715 HydrophobicContact CG-CB 4.23Å; E1657-E1715 PolarHBondContact OE1-N 3.42Å; E1715-N1718 PolarHBondContact O-N 3.3Å; E1715-A1719 WeakPolarHBondContact O-CB 3.29Å; E1715-A1719 PolarHBondContact O-N 3.4Å |
| 1716 | L | 77 | Confident | 64.3 | Low | 13 Ų | 13 | 73.8 Ų | 73.8 | 7% | 0.068 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 174.8 | 179.5 | 58.9 | 0 | 0 | 0 | 112.7 | L1636 E1660 V1664 N1718 A1719 C1720 | L1636-L1716 HydrophobicContact CD2-CD1 4.25Å; E1660-L1716 HydrophobicContact CB-CD1 4.15Å; E1660-L1716 HydrophobicContact CB-CD2 4.28Å; V1664-L1716 HydrophobicContact CG2-CD1 3.82Å; L1716-N1718 VanDerWaalsContact C-N 3.33Å; L1716-N1718 PolarHBondContact O-N 3.19Å; L1716-A1719 WeakPolarHBondContact O-CB 3.2Å; L1716-A1719 PolarHBondContact O-N 3.26Å; L1716-A1719 VanDerWaalsContact O-N 3.13Å; L1716-C1720 PolarHBondContact O-N 2.91Å; L1716-C1720 PolarHBondContact O-SG 3.02Å |
| 1717 | S | 73.6 | Confident | 65.9 | Low | 28 Ų | 28 | 66.6 Ų | 66.6 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 177.2 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | N1713 A1719 C1720 F1721 | N1713-S1717 WeakPolarHBondContact O-CB 3.5Å; N1713-S1717 PolarHBondContact O-N 3.41Å; S1717-A1719 PolarHBondContact O-N 3.34Å; S1717-C1720 PolarHBondContact O-N 3.45Å; S1717-F1721 VanDerWaalsContact O-CB 3.26Å; S1717-F1721 WeakPolarHBondContact O-CB 3.49Å; S1717-F1721 PolarHBondContact O-N 3.23Å |
| 1718 | N | 76.1 | Confident | 67.3 | Low | 49 Ų | 49 | 63.6 Ų | 63.6 | 26% | 0.262 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 173.1 | -86.6 | -70.4 | 0 | 0 | 0 | 113 | L1714 E1715 L1716 K1722 | L1714-N1718 WeakPolarHBondContact O-CB 3.39Å; L1714-N1718 PolarHBondContact O-N 3.44Å; L1714-N1718 PolarHBondContact O-ND2 3.41Å; E1715-N1718 PolarHBondContact O-N 3.3Å; L1716-N1718 VanDerWaalsContact C-N 3.33Å; L1716-N1718 PolarHBondContact O-N 3.19Å; N1718-K1722 VanDerWaalsContact O-CB 3.28Å; N1718-K1722 WeakPolarHBondContact O-CB 3.37Å; N1718-K1722 WeakPolarHBondContact O-CG 3.36Å; N1718-K1722 PolarHBondContact O-N 3.49Å |
| 1719 | A | 77.8 | Confident | 68.2 | Low | 11 Ų | 11 | 56.8 Ų | 56.8 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67 | -44.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1664 E1715 L1716 S1717 T1723 | V1664-A1719 HydrophobicContact CB-CB 4.47Å; V1664-A1719 HydrophobicContact CG1-CB 4.09Å; E1715-A1719 WeakPolarHBondContact O-CB 3.29Å; E1715-A1719 PolarHBondContact O-N 3.4Å; L1716-A1719 WeakPolarHBondContact O-CB 3.2Å; L1716-A1719 PolarHBondContact O-N 3.26Å; L1716-A1719 VanDerWaalsContact O-N 3.13Å; S1717-A1719 PolarHBondContact O-N 3.34Å; A1719-T1723 WeakPolarHBondContact O-CB 3.35Å; A1719-T1723 PolarHBondContact O-N 3.29Å; A1719-T1723 PolarHBondContact O-OG1 3.45Å |
| 1720 | C | 79.4 | Confident | 68.7 | Low | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 174.4 | -68.3 | 0 | 0 | 0 | 0 | 111.4 | L1690 L1716 S1717 K1722 T1723 L1724 | L1690-C1720 HydrophobicContact CD2-CB 4.45Å; L1716-C1720 PolarHBondContact O-N 2.91Å; L1716-C1720 PolarHBondContact O-SG 3.02Å; S1717-C1720 PolarHBondContact O-N 3.45Å; C1720-K1722 PolarHBondContact O-N 3.33Å; C1720-T1723 WeakPolarHBondContact O-CB 3.38Å; C1720-T1723 PolarHBondContact O-N 3.48Å; C1720-T1723 VanDerWaalsContact O-N 3.17Å; C1720-L1724 PolarHBondContact O-N 3.05Å |
| 1721 | F | 74.6 | Confident | 69.3 | Low | 15 Ų | 15 | 52.4 Ų | 52.4 | 7% | 0.066 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.4 | -42 | -178.7 | -170.5 | -87.4 | 0 | 0 | 0 | 112.4 | C1694 S1717 T1723 L1724 L1725 L1757 Q1790 T1794 | C1694-F1721 VanDerWaalsContact SG-CA 3.58Å; C1694-F1721 PolarHBondContact SG-N 2.87Å; C1694-F1721 VanDerWaalsContact SG-N 3.45Å; S1717-F1721 VanDerWaalsContact O-CB 3.26Å; S1717-F1721 WeakPolarHBondContact O-CB 3.49Å; S1717-F1721 PolarHBondContact O-N 3.23Å; F1721-T1723 VanDerWaalsContact C-N 3.33Å; F1721-T1723 PolarHBondContact O-N 2.64Å; F1721-L1724 PolarHBondContact O-N 3.43Å; F1721-L1725 WeakPolarHBondContact O-CB 3.45Å; F1721-L1725 PolarHBondContact O-N 3.18Å; F1721-L1757 HydrophobicContact CD2-CD1 4.36Å; F1721-L1757 HydrophobicContact CE1-CD1 4.4Å; F1721-L1757 HydrophobicContact CE2-CD1 3.74Å; F1721-L1757 HydrophobicContact CZ-CD1 3.77Å; F1721-Q1790 HydrophobicContact CD1-CG 4.25Å; F1721-Q1790 HydrophobicContact CE1-CG 3.99Å; F1721-T1794 HydrophobicContact CE1-CG2 4.23Å; F1721-T1794 WeakPolarHBondContact CE1-OG1 3.45Å; F1721-T1794 HydrophobicContact CZ-CG2 4.01Å |
| 1722 | K | 77 | Confident | 69.5 | Low | 114 Ų | 114 | 48.2 Ų | 48.2 | 50% | 0.496 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 173.1 | -76.1 | 171.5 | -178 | 175.5 | 0 | 112.4 | N1718 C1720 L1725 Q1726 | N1718-K1722 VanDerWaalsContact O-CB 3.28Å; N1718-K1722 WeakPolarHBondContact O-CB 3.37Å; N1718-K1722 WeakPolarHBondContact O-CG 3.36Å; N1718-K1722 PolarHBondContact O-N 3.49Å; C1720-K1722 PolarHBondContact O-N 3.33Å; K1722-L1725 PolarHBondContact O-N 3.12Å; K1722-Q1726 VanDerWaalsContact O-CB 3.32Å; K1722-Q1726 WeakPolarHBondContact O-CB 3.17Å; K1722-Q1726 PolarHBondContact O-N 3.43Å |
| 1723 | T | 79.4 | Confident | 69.8 | Low | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 177.7 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | V1664 R1668 L1672 L1690 A1719 C1720 F1721 Q1726 A1727 | V1664-T1723 WeakPolarHBondContact CG1-OG1 3.49Å; R1668-T1723 HydrophobicContact CB-CG2 3.82Å; R1668-T1723 HydrophobicContact CG-CG2 4.03Å; R1668-T1723 PolarHBondContact NE-OG1 3.37Å; R1668-T1723 PolarHBondContact NH2-OG1 2.93Å; R1668-T1723 VanDerWaalsContact NH2-OG1 3.09Å; L1672-T1723 HydrophobicContact CD1-CG2 4.05Å; L1690-T1723 HydrophobicContact CD1-CG2 3.78Å; L1690-T1723 HydrophobicContact CD2-CG2 4.12Å; A1719-T1723 WeakPolarHBondContact O-CB 3.35Å; A1719-T1723 PolarHBondContact O-N 3.29Å; A1719-T1723 PolarHBondContact O-OG1 3.45Å; C1720-T1723 WeakPolarHBondContact O-CB 3.38Å; C1720-T1723 PolarHBondContact O-N 3.48Å; C1720-T1723 VanDerWaalsContact O-N 3.17Å; F1721-T1723 VanDerWaalsContact C-N 3.33Å; F1721-T1723 PolarHBondContact O-N 2.64Å; T1723-Q1726 PolarHBondContact O-N 2.92Å; T1723-A1727 WeakPolarHBondContact O-CB 3.28Å; T1723-A1727 PolarHBondContact O-N 3.38Å |
| 1724 | L | 75.6 | Confident | 69.5 | Low | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | 174.4 | -88.2 | 165.2 | 0 | 0 | 0 | 112.7 | M1687 L1690 C1720 F1721 A1727 S1728 A1753 | M1687-L1724 HydrophobicContact SD-CD2 4.12Å; L1690-L1724 HydrophobicContact CB-CD1 3.96Å; L1690-L1724 HydrophobicContact CB-CG 3.96Å; L1690-L1724 HydrophobicContact CD1-CG 4.47Å; C1720-L1724 PolarHBondContact O-N 3.05Å; F1721-L1724 PolarHBondContact O-N 3.43Å; L1724-A1727 PolarHBondContact O-N 2.67Å; L1724-S1728 WeakPolarHBondContact O-CB 3.44Å; L1724-S1728 PolarHBondContact O-N 3.45Å; L1724-S1728 PolarHBondContact O-OG 3.04Å; L1724-A1753 HydrophobicContact CD2-CB 3.9Å |
| 1725 | L | 74.4 | Confident | 69.1 | Low | 30 Ų | 30 | 43.6 Ų | 43.6 | 16% | 0.157 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 176.4 | 178.3 | 59.9 | 0 | 0 | 0 | 111.7 | F1721 K1722 S1728 V1729 L1757 T1794 | F1721-L1725 WeakPolarHBondContact O-CB 3.45Å; F1721-L1725 PolarHBondContact O-N 3.18Å; K1722-L1725 PolarHBondContact O-N 3.12Å; L1725-S1728 PolarHBondContact O-N 2.91Å; L1725-V1729 HydrophobicContact CD1-CG2 3.76Å; L1725-V1729 WeakPolarHBondContact O-CB 3.49Å; L1725-V1729 PolarHBondContact O-N 3.41Å; L1725-L1757 HydrophobicContact CD1-CD2 3.83Å; L1725-T1794 HydrophobicContact CD1-CG2 3.92Å |
| 1726 | Q | 74 | Confident | 68.6 | Low | 118 Ų | 118 | 43 Ų | 43 | 55% | 0.551 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -66.7 | -37.7 | 179.3 | -171.8 | 173.1 | -1.9 | 0 | 0 | 112.1 | K1722 T1723 S1728 G1730 | K1722-Q1726 VanDerWaalsContact O-CB 3.32Å; K1722-Q1726 WeakPolarHBondContact O-CB 3.17Å; K1722-Q1726 PolarHBondContact O-N 3.43Å; T1723-Q1726 PolarHBondContact O-N 2.92Å; Q1726-S1728 VanDerWaalsContact C-N 3.32Å; Q1726-G1730 WeakPolarHBondContact O-CA 3.36Å; Q1726-G1730 PolarHBondContact O-N 2.92Å |
| 1727 | A | 68.9 | Low | 67.7 | Low | 14 Ų | 14 | 44 Ų | 44 | 12% | 0.116 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.5 | -33.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1672 M1687 T1723 L1724 A1753 | L1672-A1727 HydrophobicContact CD1-CB 4.36Å; M1687-A1727 HydrophobicContact CE-CB 4.29Å; T1723-A1727 WeakPolarHBondContact O-CB 3.28Å; T1723-A1727 PolarHBondContact O-N 3.38Å; L1724-A1727 PolarHBondContact O-N 2.67Å; A1727-A1753 HydrophobicContact CB-CB 4.28Å |
| 1728 | S | 66.6 | Low | 66.8 | Low | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -78.6 | -33.6 | -179.1 | -55.8 | 0 | 0 | 0 | 0 | 114.2 | L1724 L1725 Q1726 A1753 L1754 | L1724-S1728 WeakPolarHBondContact O-CB 3.44Å; L1724-S1728 PolarHBondContact O-N 3.45Å; L1724-S1728 PolarHBondContact O-OG 3.04Å; L1725-S1728 PolarHBondContact O-N 2.91Å; Q1726-S1728 VanDerWaalsContact C-N 3.32Å; S1728-A1753 WeakPolarHBondContact OG-CB 3.48Å; S1728-A1753 PolarHBondContact OG-O 3.35Å; S1728-L1754 PolarHBondContact OG-N 3.48Å |
| 1729 | V | 62.2 | Low | 65.7 | Low | 31 Ų | 31 | 46.8 Ų | 46.8 | 19% | 0.188 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -121.7 | -20.7 | -165.3 | -174.5 | 0 | 0 | 0 | 0 | 113.1 | L1725 K1731 T1797 T1801 | L1725-V1729 HydrophobicContact CD1-CG2 3.76Å; L1725-V1729 WeakPolarHBondContact O-CB 3.49Å; L1725-V1729 PolarHBondContact O-N 3.41Å; V1729-K1731 VanDerWaalsContact C-N 3.34Å; V1729-K1731 PolarHBondContact O-N 3.41Å; V1729-T1797 HydrophobicContact CG1-CG2 4.34Å; V1729-T1801 HydrophobicContact CG1-CG2 3.9Å |
| 1730 | G | 57.5 | Low | 64.5 | Low | 56 Ų | 56 | 51.5 Ų | 51.5 | 58% | 0.577 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -82 | 14.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q1726 | Q1726-G1730 WeakPolarHBondContact O-CA 3.36Å; Q1726-G1730 PolarHBondContact O-N 2.92Å |
| 1731 | K | 58.8 | Low | 63.2 | Low | 80 Ų | 80 | 54 Ų | 54 | 35% | 0.348 | 29% | 0.288 | S | S | . | . | trans | -127.4 | 129 | -177.9 | -63.9 | -176.8 | -176.9 | -176.5 | 0 | 110.6 | V1729 D1733 E1749 | V1729-K1731 VanDerWaalsContact C-N 3.34Å; V1729-K1731 PolarHBondContact O-N 3.41Å; K1731-D1733 VanDerWaalsContact C-N 3.32Å; K1731-D1733 PolarHBondContact O-N 3.2Å; K1731-E1749 IonicContact NZ-OE1 2.59Å; K1731-E1749 IonicContact NZ-OE2 3.12Å; K1731-E1749 PolarHBondContact NZ-OE2 2.94Å | ||
| 1732 | P | 54.8 | Low | 61.8 | Low | 104 Ų | 104 | 60.5 Ų | 60.5 | 68% | 0.675 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -31.5 | -175.3 | 25.5 | -33.8 | 0 | 0 | 0 | 113.4 | L1734 Q1805 | P1732-L1734 VanDerWaalsContact C-N 3.28Å; P1732-L1734 PolarHBondContact O-N 3.41Å; P1732-L1734 VanDerWaalsContact O-N 3.14Å; P1732-Q1805 PolarHBondContact O-NE2 3.23Å |
| 1733 | D | 58.8 | Low | 60.6 | Low | 94 Ų | 94 | 61.5 Ų | 61.5 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 41.9 | -176.9 | -69.6 | -63.1 | 0 | 0 | 0 | 114.4 | K1731 V1735 E1736 Q1737 | K1731-D1733 VanDerWaalsContact C-N 3.32Å; K1731-D1733 PolarHBondContact O-N 3.2Å; D1733-V1735 VanDerWaalsContact C-N 3.31Å; D1733-V1735 PolarHBondContact O-N 3.5Å; D1733-E1736 HydrophobicContact CB-CB 3.87Å; D1733-E1736 PolarHBondContact O-N 3.49Å; D1733-E1736 VanDerWaalsContact O-N 3.1Å; D1733-Q1737 PolarHBondContact O-N 3.27Å |
| 1734 | L | 58.3 | Low | 58.7 | Low | 14 Ų | 14 | 68 Ų | 68 | 7% | 0.073 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.7 | -44.7 | 172.8 | -106.7 | 163.3 | 0 | 0 | 0 | 111.3 | P1732 E1736 Q1737 C1738 | P1732-L1734 VanDerWaalsContact C-N 3.28Å; P1732-L1734 PolarHBondContact O-N 3.41Å; P1732-L1734 VanDerWaalsContact O-N 3.14Å; L1734-E1736 VanDerWaalsContact C-N 3.3Å; L1734-E1736 PolarHBondContact O-N 2.95Å; L1734-Q1737 PolarHBondContact O-N 3.34Å; L1734-C1738 PolarHBondContact O-N 3.36Å |
| 1735 | V | 56.4 | Low | 57.2 | Low | 35 Ų | 35 | 77.6 Ų | 77.6 | 21% | 0.212 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.7 | -36.7 | 172.9 | 170.9 | 0 | 0 | 0 | 0 | 112.8 | D1733 K1739 Q1805 C1808 | D1733-V1735 VanDerWaalsContact C-N 3.31Å; D1733-V1735 PolarHBondContact O-N 3.5Å; V1735-K1739 HydrophobicContact CG1-CD 4.12Å; V1735-K1739 VanDerWaalsContact O-CG 3.32Å; V1735-K1739 WeakPolarHBondContact O-CG 3.33Å; V1735-K1739 PolarHBondContact O-N 3.29Å; V1735-K1739 VanDerWaalsContact O-N 3.15Å; V1735-Q1805 HydrophobicContact CG2-CB 3.87Å; V1735-Q1805 HydrophobicContact CG2-CG 4.37Å; V1735-C1808 HydrophobicContact CG2-CB 4.34Å |
| 1736 | E | 58.5 | Low | 56.1 | Low | 87 Ų | 87 | 78 Ų | 78 | 41% | 0.407 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -76.2 | -36.1 | -178.4 | -146.9 | -147.5 | -171.9 | 0 | 0 | 111.6 | D1733 L1734 K1739 K1740 | D1733-E1736 HydrophobicContact CB-CB 3.87Å; D1733-E1736 PolarHBondContact O-N 3.49Å; D1733-E1736 VanDerWaalsContact O-N 3.1Å; L1734-E1736 VanDerWaalsContact C-N 3.3Å; L1734-E1736 PolarHBondContact O-N 2.95Å; E1736-K1739 PolarHBondContact O-N 3.04Å; E1736-K1740 WeakPolarHBondContact O-CG 3.18Å; E1736-K1740 PolarHBondContact O-N 3.34Å; E1736-K1740 WeakPolarHBondContact OE1-CE 3.24Å; E1736-K1740 IonicContact OE1-NZ 3.8Å; E1736-K1740 PolarHBondContact OE1-NZ 3.16Å; E1736-K1740 WeakPolarHBondContact OE2-CE 3.37Å; E1736-K1740 IonicContact OE2-NZ 2.71Å; E1736-K1740 PolarHBondContact OE2-NZ 3.11Å |
| 1737 | Q | 58.8 | Low | 55 | Low | 36 Ų | 36 | 76.4 Ų | 76.4 | 17% | 0.168 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.5 | -35.7 | 174.4 | -70 | 176.2 | 42.1 | 0 | 0 | 112.5 | D1733 L1734 K1739 S1741 | D1733-Q1737 PolarHBondContact O-N 3.27Å; L1734-Q1737 PolarHBondContact O-N 3.34Å; Q1737-K1739 VanDerWaalsContact C-N 3.33Å; Q1737-S1741 PolarHBondContact O-OG 3.01Å |
| 1738 | C | 55.7 | Low | 54.4 | Low | 6 Ų | 6 | 77.5 Ų | 77.5 | 4% | 0.041 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -73.3 | -19.6 | 171.7 | -69.8 | 0 | 0 | 0 | 0 | 113.9 | L1734 S1741 H1810 | L1734-C1738 PolarHBondContact O-N 3.36Å; C1738-S1741 PolarHBondContact O-OG 3.44Å; C1738-H1810 HydrophobicContact CB-CB 4.45Å |
| 1739 | K | 52.1 | Low | 54 | Low | 128 Ų | 128 | 78.7 Ų | 78.7 | 56% | 0.557 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -84.7 | -33 | 172 | -76.5 | 173.3 | 179.6 | 176.5 | 0 | 112.5 | V1735 E1736 Q1737 S1741 | V1735-K1739 HydrophobicContact CG1-CD 4.12Å; V1735-K1739 VanDerWaalsContact O-CG 3.32Å; V1735-K1739 WeakPolarHBondContact O-CG 3.33Å; V1735-K1739 PolarHBondContact O-N 3.29Å; V1735-K1739 VanDerWaalsContact O-N 3.15Å; E1736-K1739 PolarHBondContact O-N 3.04Å; Q1737-K1739 VanDerWaalsContact C-N 3.33Å; K1739-S1741 VanDerWaalsContact C-N 3.33Å; K1739-S1741 PolarHBondContact O-N 3.01Å |
| 1740 | K | 52.3 | Low | 54.1 | Low | 111 Ų | 111 | 77.3 Ų | 77.3 | 48% | 0.483 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -72.5 | -23.2 | -179.1 | -76.8 | 171.5 | 177.3 | 170.9 | 0 | 113.7 | E1736 E1742 I1743 | E1736-K1740 WeakPolarHBondContact O-CG 3.18Å; E1736-K1740 PolarHBondContact O-N 3.34Å; E1736-K1740 WeakPolarHBondContact OE1-CE 3.24Å; E1736-K1740 IonicContact OE1-NZ 3.8Å; E1736-K1740 PolarHBondContact OE1-NZ 3.16Å; E1736-K1740 WeakPolarHBondContact OE2-CE 3.37Å; E1736-K1740 IonicContact OE2-NZ 2.71Å; E1736-K1740 PolarHBondContact OE2-NZ 3.11Å; K1740-E1742 PolarHBondContact O-N 3.31Å; K1740-I1743 PolarHBondContact O-N 3.38Å |
| 1741 | S | 52.3 | Low | 54.4 | Low | 55 Ų | 55 | 76.6 Ų | 76.6 | 39% | 0.385 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -9.1 | 176.9 | 41.7 | 0 | 0 | 0 | 0 | 115.6 | Q1737 C1738 K1739 | Q1737-S1741 PolarHBondContact O-OG 3.01Å; C1738-S1741 PolarHBondContact O-OG 3.44Å; K1739-S1741 VanDerWaalsContact C-N 3.33Å; K1739-S1741 PolarHBondContact O-N 3.01Å |
| 1742 | E | 45.2 | Very low | 54.6 | Low | 150 Ų | 150 | 74.8 Ų | 74.8 | 70% | 0.701 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -7.1 | 174.4 | -67.2 | -174.6 | 154.4 | 0 | 0 | 113.6 | K1740 H1810 | K1740-E1742 PolarHBondContact O-N 3.31Å; E1742-H1810 IonicContact OE1-CE1 3.97Å |
| 1743 | I | 52.1 | Low | 55.1 | Low | 135 Ų | 135 | 69.9 Ų | 69.9 | 69% | 0.692 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | -18.1 | -166.3 | -61.3 | -178.1 | 0 | 0 | 0 | 114.3 | K1740 | K1740-I1743 PolarHBondContact O-N 3.38Š|
| 1744 | N | 40 | Very low | 55.7 | Low | 139 Ų | 139 | 65.6 Ų | 65.6 | 74% | 0.743 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -147.8 | 150 | 169 | -92.1 | -69.1 | 0 | 0 | 0 | 112.1 | G1746 | N1744-G1746 PolarHBondContact O-N 3.18Š|
| 1745 | E | 44.2 | Very low | 56.2 | Low | 204 Ų | 204 | 72.3 Ų | 72.3 | 95% | 0.953 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -69.9 | 115.2 | -176.6 | -61.8 | -178.9 | 143.2 | 0 | 0 | 112 | ||
| 1746 | G | 50.9 | Low | 56.8 | Low | 40 Ų | 40 | 71.8 Ų | 71.8 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 165.9 | 129.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1744 T1748 | N1744-G1746 PolarHBondContact O-N 3.18Å; G1746-T1748 PolarHBondContact O-N 2.93Å |
| 1747 | P | 50.6 | Low | 57.5 | Low | 83 Ų | 83 | 67.8 Ų | 67.8 | 54% | 0.539 | 36% | 0.361 | S | S | . | . | trans | -68.1 | 114.1 | 174.2 | 28.1 | -32.7 | 0 | 0 | 0 | 110 | ||||
| 1748 | T | 56.6 | Low | 58.2 | Low | 37 Ų | 37 | 66.9 Ų | 66.9 | 23% | 0.227 | 36% | 0.357 | C | S | . | . | trans | -69.5 | 144.8 | 171.1 | 47.7 | 0 | 0 | 0 | 0 | 110.3 | G1746 G1750 P1751 | G1746-T1748 PolarHBondContact O-N 2.93Å; T1748-G1750 VanDerWaalsContact C-N 3.33Å; T1748-G1750 PolarHBondContact O-N 3Å; T1748-P1751 WeakPolarHBondContact O-CD 3.5Å | ||
| 1749 | E | 58.5 | Low | 59.2 | Low | 28 Ų | 28 | 71.7 Ų | 71.7 | 13% | 0.131 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.8 | -41 | -168.8 | -60.4 | 166.5 | 104.5 | 0 | 0 | 113.2 | A1675 M1687 K1731 A1753 | A1675-E1749 HydrophobicContact CB-CG 4.38Å; M1687-E1749 HydrophobicContact CE-CB 3.97Å; M1687-E1749 HydrophobicContact CE-CG 4.31Å; K1731-E1749 IonicContact NZ-OE1 2.59Å; K1731-E1749 IonicContact NZ-OE2 3.12Å; K1731-E1749 PolarHBondContact NZ-OE2 2.94Å; E1749-A1753 WeakPolarHBondContact O-CB 3.44Å; E1749-A1753 PolarHBondContact O-N 2.89Å; E1749-A1753 VanDerWaalsContact O-N 3.12Å |
| 1750 | G | 63.2 | Low | 60.2 | Low | 2 Ų | 2 | 67.2 Ų | 67.2 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.4 | -59.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.8 | T1748 A1752 A1753 L1754 | T1748-G1750 VanDerWaalsContact C-N 3.33Å; T1748-G1750 PolarHBondContact O-N 3Å; G1750-A1752 VanDerWaalsContact C-N 3.31Å; G1750-A1752 PolarHBondContact O-N 3.5Å; G1750-A1753 PolarHBondContact O-N 3.38Å; G1750-L1754 VanDerWaalsContact O-CB 3.29Å; G1750-L1754 WeakPolarHBondContact O-CB 3.44Å; G1750-L1754 PolarHBondContact O-N 2.92Å |
| 1751 | P | 64.4 | Low | 61.4 | Low | 41 Ų | 41 | 62 Ų | 62 | 27% | 0.266 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.5 | -37.7 | -178.6 | -29.2 | 36.5 | 0 | 0 | 0 | 114.6 | T1748 K1755 | T1748-P1751 WeakPolarHBondContact O-CD 3.5Å; P1751-K1755 VanDerWaalsContact O-CB 3.28Å; P1751-K1755 WeakPolarHBondContact O-CB 3.38Å; P1751-K1755 PolarHBondContact O-N 2.69Å; P1751-K1755 VanDerWaalsContact O-N 3.09Å |
| 1752 | A | 63 | Low | 62.8 | Low | 42 Ų | 42 | 65.1 Ų | 65.1 | 35% | 0.347 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.3 | -50.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1750 L1754 K1755 A1756 | G1750-A1752 VanDerWaalsContact C-N 3.31Å; G1750-A1752 PolarHBondContact O-N 3.5Å; A1752-L1754 PolarHBondContact O-N 2.86Å; A1752-K1755 PolarHBondContact O-N 2.79Å; A1752-A1756 PolarHBondContact O-N 3.39Å; A1752-A1756 VanDerWaalsContact O-N 3.13Å |
| 1753 | A | 65.6 | Low | 64.4 | Low | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1687 L1724 A1727 S1728 E1749 G1750 K1755 A1756 L1757 | M1687-A1753 HydrophobicContact CE-CB 4.41Å; M1687-A1753 HydrophobicContact SD-CB 4.25Å; L1724-A1753 HydrophobicContact CD2-CB 3.9Å; A1727-A1753 HydrophobicContact CB-CB 4.28Å; S1728-A1753 WeakPolarHBondContact OG-CB 3.48Å; S1728-A1753 PolarHBondContact OG-O 3.35Å; E1749-A1753 WeakPolarHBondContact O-CB 3.44Å; E1749-A1753 PolarHBondContact O-N 2.89Å; E1749-A1753 VanDerWaalsContact O-N 3.12Å; G1750-A1753 PolarHBondContact O-N 3.38Å; A1753-K1755 PolarHBondContact O-N 3.23Å; A1753-A1756 PolarHBondContact O-N 2.83Å; A1753-L1757 WeakPolarHBondContact O-CB 3.37Å; A1753-L1757 PolarHBondContact O-N 2.85Å |
| 1754 | L | 70.4 | Confident | 65.5 | Low | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 178.7 | -165.1 | 81.6 | 0 | 0 | 0 | 111.5 | S1728 G1750 A1752 A1756 L1757 M1758 M1798 L1802 M1814 | S1728-L1754 PolarHBondContact OG-N 3.48Å; G1750-L1754 VanDerWaalsContact O-CB 3.29Å; G1750-L1754 WeakPolarHBondContact O-CB 3.44Å; G1750-L1754 PolarHBondContact O-N 2.92Å; A1752-L1754 PolarHBondContact O-N 2.86Å; L1754-A1756 PolarHBondContact O-N 3.33Å; L1754-L1757 PolarHBondContact O-N 2.97Å; L1754-M1758 HydrophobicContact CD2-SD 4.16Å; L1754-M1758 HydrophobicContact CG-CG 4.47Å; L1754-M1758 HydrophobicContact CG-SD 4.12Å; L1754-M1758 WeakPolarHBondContact O-CB 3.33Å; L1754-M1758 VanDerWaalsContact O-CG 3.27Å; L1754-M1758 WeakPolarHBondContact O-CG 3.25Å; L1754-M1758 PolarHBondContact O-N 3.43Å; L1754-M1798 HydrophobicContact CD1-CE 3.8Å; L1754-M1798 HydrophobicContact CG-CE 4.3Å; L1754-L1802 HydrophobicContact CD2-CD1 4.39Å; L1754-L1802 HydrophobicContact CD2-CD2 4.35Å; L1754-M1814 HydrophobicContact CD2-CE 4.38Å; L1754-M1814 HydrophobicContact CD2-SD 3.55Å; L1754-M1814 VanDerWaalsContact CD2-SD 3.55Å |
| 1755 | K | 70.5 | Confident | 67.4 | Low | 156 Ų | 156 | 48.5 Ų | 48.5 | 68% | 0.678 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62.7 | -41.6 | 177.1 | -174.7 | 177.7 | -177.9 | 179.6 | 0 | 112.1 | P1751 A1752 A1753 K1759 | P1751-K1755 VanDerWaalsContact O-CB 3.28Å; P1751-K1755 WeakPolarHBondContact O-CB 3.38Å; P1751-K1755 PolarHBondContact O-N 2.69Å; P1751-K1755 VanDerWaalsContact O-N 3.09Å; A1752-K1755 PolarHBondContact O-N 2.79Å; A1753-K1755 PolarHBondContact O-N 3.23Å; K1755-K1759 WeakPolarHBondContact O-CB 3.4Å; K1755-K1759 PolarHBondContact O-N 3.04Å; K1755-K1759 VanDerWaalsContact O-N 3.11Å |
| 1756 | A | 67.5 | Low | 69.1 | Low | 24 Ų | 24 | 40.8 Ų | 40.8 | 20% | 0.198 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -43.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1691 A1752 A1753 L1754 K1759 R1760 | Y1691-A1756 HydrophobicContact CD2-CB 3.8Å; Y1691-A1756 HydrophobicContact CE2-CB 4.33Å; Y1691-A1756 HydrophobicContact CG-CB 4.49Å; A1752-A1756 PolarHBondContact O-N 3.39Å; A1752-A1756 VanDerWaalsContact O-N 3.13Å; A1753-A1756 PolarHBondContact O-N 2.83Å; L1754-A1756 PolarHBondContact O-N 3.33Å; A1756-K1759 PolarHBondContact O-N 3.1Å; A1756-R1760 PolarHBondContact O-N 3.18Å; A1756-R1760 VanDerWaalsContact O-N 3.07Å |
| 1757 | L | 74.1 | Confident | 70.3 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.4 | -44.9 | 178.2 | -169.2 | 69.5 | 0 | 0 | 0 | 112.4 | F1721 L1725 A1753 L1754 K1759 R1760 C1761 T1794 M1798 | F1721-L1757 HydrophobicContact CD2-CD1 4.36Å; F1721-L1757 HydrophobicContact CE1-CD1 4.4Å; F1721-L1757 HydrophobicContact CE2-CD1 3.74Å; F1721-L1757 HydrophobicContact CZ-CD1 3.77Å; L1725-L1757 HydrophobicContact CD1-CD2 3.83Å; A1753-L1757 WeakPolarHBondContact O-CB 3.37Å; A1753-L1757 PolarHBondContact O-N 2.85Å; L1754-L1757 PolarHBondContact O-N 2.97Å; L1757-K1759 PolarHBondContact O-N 3.26Å; L1757-R1760 PolarHBondContact O-N 2.82Å; L1757-C1761 PolarHBondContact O-N 3.03Å; L1757-C1761 PolarHBondContact O-SG 3.3Å; L1757-T1794 HydrophobicContact CD1-CG2 4.24Å; L1757-T1794 HydrophobicContact CD2-CG2 4Å; L1757-T1794 HydrophobicContact CG-CG2 4.24Å; L1757-M1798 HydrophobicContact CD2-CE 3.98Å; L1757-M1798 HydrophobicContact CD2-CG 4.3Å; L1757-M1798 HydrophobicContact CD2-SD 3.63Å; L1757-M1798 HydrophobicContact CG-CE 4.24Å; L1757-M1798 HydrophobicContact CG-SD 4.04Å |
| 1758 | M | 74.2 | Confident | 71.6 | Confident | 16 Ų | 16 | 39.1 Ų | 39.1 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.7 | -44.6 | 175.5 | -74.6 | 173.3 | 63.3 | 0 | 0 | 111.6 | L1754 C1761 R1762 M1798 Q1817 L1818 | L1754-M1758 HydrophobicContact CD2-SD 4.16Å; L1754-M1758 HydrophobicContact CG-CG 4.47Å; L1754-M1758 HydrophobicContact CG-SD 4.12Å; L1754-M1758 WeakPolarHBondContact O-CB 3.33Å; L1754-M1758 VanDerWaalsContact O-CG 3.27Å; L1754-M1758 WeakPolarHBondContact O-CG 3.25Å; L1754-M1758 PolarHBondContact O-N 3.43Å; M1758-C1761 PolarHBondContact O-N 3.11Å; M1758-R1762 WeakPolarHBondContact O-CB 3.49Å; M1758-R1762 PolarHBondContact O-N 2.92Å; M1758-M1798 HydrophobicContact CB-CE 4.45Å; M1758-M1798 HydrophobicContact CG-CE 3.36Å; M1758-M1798 HydrophobicContact SD-CE 4.47Å; M1758-Q1817 HydrophobicContact CE-CB 3.45Å; M1758-Q1817 VanDerWaalsContact CE-CB 3.45Å; M1758-L1818 HydrophobicContact CE-CG 4.11Å |
| 1759 | K | 75.9 | Confident | 72.2 | Confident | 108 Ų | 108 | 38.5 Ų | 38.5 | 47% | 0.47 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.4 | -49.6 | 175.3 | -178.9 | -176.9 | 168.1 | -165.7 | 0 | 111.3 | Y1691 K1755 A1756 L1757 C1761 R1762 E1763 | Y1691-K1759 WeakPolarHBondContact OH-CD 3.45Å; Y1691-K1759 WeakPolarHBondContact OH-CE 3.48Å; Y1691-K1759 PolarHBondContact OH-NZ 2.75Å; K1755-K1759 WeakPolarHBondContact O-CB 3.4Å; K1755-K1759 PolarHBondContact O-N 3.04Å; K1755-K1759 VanDerWaalsContact O-N 3.11Å; A1756-K1759 PolarHBondContact O-N 3.1Å; L1757-K1759 PolarHBondContact O-N 3.26Å; K1759-C1761 PolarHBondContact O-N 3.26Å; K1759-R1762 PolarHBondContact O-N 3.49Å; K1759-E1763 WeakPolarHBondContact CE-OE1 3.49Å; K1759-E1763 IonicContact NZ-OE1 2.75Å; K1759-E1763 WeakPolarHBondContact O-CG 3.33Å; K1759-E1763 PolarHBondContact O-N 3.13Å |
| 1760 | R | 73.5 | Confident | 72.9 | Confident | 33 Ų | 33 | 40.4 Ų | 40.4 | 13% | 0.125 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 178.3 | -178.7 | 57.7 | -179.9 | -168.6 | -2 | 112.3 | Y1691 C1694 A1756 L1757 E1763 V1764 E1787 | Y1691-R1760 HydrophobicContact CE2-CB 4.38Å; C1694-R1760 PolarHBondContact O-NH2 3.05Å; A1756-R1760 PolarHBondContact O-N 3.18Å; A1756-R1760 VanDerWaalsContact O-N 3.07Å; L1757-R1760 PolarHBondContact O-N 2.82Å; R1760-E1763 PolarHBondContact O-N 2.89Å; R1760-V1764 HydrophobicContact CG-CG2 4.47Å; R1760-V1764 WeakPolarHBondContact O-CG2 3.31Å; R1760-V1764 PolarHBondContact O-N 3.46Å; R1760-E1787 IonicContact CZ-OE1 2.68Å; R1760-E1787 IonicContact NE-OE1 2.74Å; R1760-E1787 IonicContact NH2-OE1 3.71Å; R1760-E1787 PolarHBondContact NH2-OE1 3.14Å |
| 1761 | C | 77.4 | Confident | 73.2 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 175.6 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | L1757 M1758 K1759 E1763 V1764 V1765 V1791 I1795 I1821 | L1757-C1761 PolarHBondContact O-N 3.03Å; L1757-C1761 PolarHBondContact O-SG 3.3Å; M1758-C1761 PolarHBondContact O-N 3.11Å; K1759-C1761 PolarHBondContact O-N 3.26Å; C1761-E1763 PolarHBondContact O-N 3.11Å; C1761-V1764 PolarHBondContact O-N 3.09Å; C1761-V1765 VanDerWaalsContact O-CG2 3.28Å; C1761-V1765 WeakPolarHBondContact O-CG2 3.43Å; C1761-V1765 PolarHBondContact O-N 3.45Å; C1761-V1765 VanDerWaalsContact O-N 3.08Å; C1761-V1791 HydrophobicContact CB-CG1 4.06Å; C1761-I1795 HydrophobicContact CB-CD1 4.19Å; C1761-I1795 HydrophobicContact CB-CG1 4.09Å; C1761-I1821 HydrophobicContact CB-CD1 4.47Å |
| 1762 | R | 80.9 | Confident | 73.4 | Confident | 122 Ų | 122 | 42.1 Ų | 42.1 | 46% | 0.46 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 177.2 | -164.1 | 177.7 | -169.7 | -101.1 | 16.9 | 111.8 | M1758 K1759 A1766 E1820 I1821 L1824 | M1758-R1762 WeakPolarHBondContact O-CB 3.49Å; M1758-R1762 PolarHBondContact O-N 2.92Å; K1759-R1762 PolarHBondContact O-N 3.49Å; R1762-A1766 WeakPolarHBondContact O-CB 3.4Å; R1762-A1766 PolarHBondContact O-N 3.06Å; R1762-E1820 IonicContact CZ-OE2 2.68Å; R1762-E1820 IonicContact NE-OE2 3.16Å; R1762-E1820 PolarHBondContact NE-OE2 3.33Å; R1762-E1820 IonicContact NH2-OE2 3.93Å; R1762-E1820 PolarHBondContact NH2-OE2 3.12Å; R1762-I1821 HydrophobicContact CB-CD1 4.25Å; R1762-I1821 HydrophobicContact CB-CG1 4.39Å; R1762-I1821 HydrophobicContact CG-CG1 4.38Å; R1762-L1824 HydrophobicContact CG-CD1 3.92Å |
| 1763 | E | 78.4 | Confident | 73.8 | Confident | 66 Ų | 66 | 49.2 Ų | 49.2 | 31% | 0.308 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.9 | -46.7 | 177.6 | -74.5 | 173.9 | 178.2 | 0 | 0 | 113.2 | K1759 R1760 C1761 N1767 | K1759-E1763 WeakPolarHBondContact CE-OE1 3.49Å; K1759-E1763 IonicContact NZ-OE1 2.75Å; K1759-E1763 WeakPolarHBondContact O-CG 3.33Å; K1759-E1763 PolarHBondContact O-N 3.13Å; R1760-E1763 PolarHBondContact O-N 2.89Å; C1761-E1763 PolarHBondContact O-N 3.11Å; E1763-N1767 PolarHBondContact O-N 3.48Å; E1763-N1767 VanDerWaalsContact O-N 3.14Å; E1763-N1767 PolarHBondContact O-ND2 3.39Å |
| 1764 | V | 76.1 | Confident | 73.9 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 179.9 | 173 | 0 | 0 | 0 | 0 | 110.8 | R1760 C1761 Y1768 E1787 L1788 V1791 | R1760-V1764 HydrophobicContact CG-CG2 4.47Å; R1760-V1764 WeakPolarHBondContact O-CG2 3.31Å; R1760-V1764 PolarHBondContact O-N 3.46Å; C1761-V1764 PolarHBondContact O-N 3.09Å; V1764-Y1768 PolarHBondContact O-N 3.07Å; V1764-E1787 HydrophobicContact CG1-CG 4.18Å; V1764-E1787 HydrophobicContact CG2-CG 4.46Å; V1764-L1788 HydrophobicContact CG1-CD2 3.96Å; V1764-V1791 HydrophobicContact CB-CG2 4.25Å; V1764-V1791 HydrophobicContact CG1-CG2 4.12Å; V1764-V1791 HydrophobicContact CG2-CG2 4.37Å |
| 1765 | V | 79.6 | Confident | 73.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.1 | -37.8 | 179.3 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | C1761 N1767 Y1768 P1769 V1791 F1792 I1795 L1824 L1825 | C1761-V1765 VanDerWaalsContact O-CG2 3.28Å; C1761-V1765 WeakPolarHBondContact O-CG2 3.43Å; C1761-V1765 PolarHBondContact O-N 3.45Å; C1761-V1765 VanDerWaalsContact O-N 3.08Å; V1765-N1767 PolarHBondContact O-N 3.24Å; V1765-Y1768 WeakPolarHBondContact O-CB 3.36Å; V1765-Y1768 PolarHBondContact O-N 2.92Å; V1765-P1769 WeakPolarHBondContact O-CD 3.27Å; V1765-V1791 HydrophobicContact CG2-CG1 3.95Å; V1765-F1792 HydrophobicContact CG2-CD1 4.41Å; V1765-F1792 HydrophobicContact CG2-CE1 3.9Å; V1765-I1795 HydrophobicContact CG2-CD1 4.17Å; V1765-L1824 HydrophobicContact CG1-CB 3.73Å; V1765-L1825 HydrophobicContact CG1-CD2 3.92Å; V1765-L1825 HydrophobicContact CG1-CG 4.23Å; V1765-L1825 HydrophobicContact CG2-CD2 4.26Å |
| 1766 | A | 80.2 | Confident | 73.3 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 35% | 0.347 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.9 | -32.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1762 P1769 L1824 | R1762-A1766 WeakPolarHBondContact O-CB 3.4Å; R1762-A1766 PolarHBondContact O-N 3.06Å; A1766-P1769 WeakPolarHBondContact O-CD 3.32Å; A1766-L1824 HydrophobicContact CB-CD1 4.14Å; A1766-L1824 HydrophobicContact CB-CD2 4.32Å |
| 1767 | N | 76.9 | Confident | 73 | Confident | 81 Ų | 81 | 54.9 Ų | 54.9 | 43% | 0.433 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -79.1 | -23.7 | 178.1 | -72.9 | -50.2 | 0 | 0 | 0 | 113 | E1763 V1765 T1770 D1771 | E1763-N1767 PolarHBondContact O-N 3.48Å; E1763-N1767 VanDerWaalsContact O-N 3.14Å; E1763-N1767 PolarHBondContact O-ND2 3.39Å; V1765-N1767 PolarHBondContact O-N 3.24Å; N1767-T1770 WeakPolarHBondContact O-CA 3.5Å; N1767-T1770 VanDerWaalsContact O-CB 3.3Å; N1767-T1770 WeakPolarHBondContact O-CB 3.46Å; N1767-T1770 PolarHBondContact O-N 3.43Å; N1767-D1771 PolarHBondContact O-N 3.36Å |
| 1768 | Y | 76 | Confident | 72.5 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 2% | 0.024 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -51.5 | -47.3 | -176.4 | 176.7 | -97.3 | 0 | 0 | 0 | 115.2 | V1764 V1765 T1770 D1771 E1772 L1780 L1788 C1828 C1831 | V1764-Y1768 PolarHBondContact O-N 3.07Å; V1765-Y1768 WeakPolarHBondContact O-CB 3.36Å; V1765-Y1768 PolarHBondContact O-N 2.92Å; Y1768-T1770 PolarHBondContact O-N 3.5Å; Y1768-D1771 PolarHBondContact O-N 3.19Å; Y1768-E1772 PolarHBondContact O-N 2.84Å; Y1768-E1772 PolarHBondContact OH-OE1 2.91Å; Y1768-E1772 PolarHBondContact OH-OE2 3.23Å; Y1768-L1780 HydrophobicContact CD2-CD1 4.16Å; Y1768-L1780 HydrophobicContact CE2-CD1 3.38Å; Y1768-L1788 HydrophobicContact CD2-CD1 3.37Å; Y1768-L1788 HydrophobicContact CD2-CD2 3.65Å; Y1768-L1788 HydrophobicContact CD2-CG 4.16Å; Y1768-L1788 HydrophobicContact CE2-CD1 3.49Å; Y1768-L1788 VanDerWaalsContact CE2-CD1 3.49Å; Y1768-L1788 HydrophobicContact CE2-CD2 4.48Å; Y1768-L1788 HydrophobicContact CG-CD2 4.09Å; Y1768-C1828 HydrophobicContact CD1-CB 4.11Å; Y1768-C1828 VanDerWaalsContact CD1-SG 3.53Å; Y1768-C1828 HydrophobicContact CE1-CB 4.34Å; Y1768-C1831 HydrophobicContact CE1-CB 4.23Å; Y1768-C1831 WeakPolarHBondContact OH-CB 3.12Å; Y1768-C1831 PolarHBondContact OH-SG 3.22Å |
| 1769 | P | 69.8 | Low | 72 | Confident | 24 Ų | 24 | 66.6 Ų | 66.6 | 16% | 0.156 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.2 | -13.7 | 179.1 | -19.1 | 33.9 | 0 | 0 | 0 | 113.8 | V1765 A1766 R1773 D1827 | V1765-P1769 WeakPolarHBondContact O-CD 3.27Å; A1766-P1769 WeakPolarHBondContact O-CD 3.32Å; P1769-R1773 WeakPolarHBondContact O-CD 3.46Å; P1769-R1773 WeakPolarHBondContact O-CG 3.31Å; P1769-R1773 PolarHBondContact O-NE 3.22Å; P1769-R1773 VanDerWaalsContact O-NE 3.08Å; P1769-D1827 HydrophobicContact CG-CB 4.21Å |
| 1770 | T | 72.9 | Confident | 71.6 | Confident | 69 Ų | 69 | 62.1 Ų | 62.1 | 42% | 0.423 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -86.2 | -46.8 | 173.6 | -52.2 | 0 | 0 | 0 | 0 | 109.9 | N1767 Y1768 E1772 R1773 L1774 | N1767-T1770 WeakPolarHBondContact O-CA 3.5Å; N1767-T1770 VanDerWaalsContact O-CB 3.3Å; N1767-T1770 WeakPolarHBondContact O-CB 3.46Å; N1767-T1770 PolarHBondContact O-N 3.43Å; Y1768-T1770 PolarHBondContact O-N 3.5Å; T1770-E1772 PolarHBondContact O-N 3.36Å; T1770-R1773 WeakPolarHBondContact O-CB 3.26Å; T1770-R1773 PolarHBondContact O-N 3.34Å; T1770-R1773 VanDerWaalsContact O-N 3.17Å; T1770-L1774 HydrophobicContact CG2-CD1 4.17Å; T1770-L1774 WeakPolarHBondContact O-CG 3.36Å; T1770-L1774 PolarHBondContact O-N 3Å |
| 1771 | D | 69.8 | Low | 71.2 | Confident | 39 Ų | 39 | 63.1 Ų | 63.1 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 175.6 | -76.3 | 18.1 | 0 | 0 | 0 | 111.8 | N1767 Y1768 R1773 L1774 A1775 L1780 R1784 | N1767-D1771 PolarHBondContact O-N 3.36Å; Y1768-D1771 PolarHBondContact O-N 3.19Å; D1771-R1773 VanDerWaalsContact C-N 3.32Å; D1771-R1773 PolarHBondContact O-N 2.93Å; D1771-L1774 PolarHBondContact O-N 2.96Å; D1771-A1775 WeakPolarHBondContact O-CB 3.26Å; D1771-A1775 PolarHBondContact O-N 3.01Å; D1771-L1780 HydrophobicContact CB-CD2 4.19Å; D1771-R1784 IonicContact OD1-NH2 2.65Å; D1771-R1784 IonicContact OD2-CZ 3.84Å; D1771-R1784 IonicContact OD2-NE 2.81Å; D1771-R1784 PolarHBondContact OD2-NE 3.27Å; D1771-R1784 IonicContact OD2-NH2 3.93Å; D1771-R1784 PolarHBondContact OD2-NH2 2.94Å |
| 1772 | E | 69.5 | Low | 70.7 | Confident | 40 Ų | 40 | 69.9 Ų | 69.9 | 19% | 0.187 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.2 | -26.6 | 177.8 | -168.3 | 172.2 | -138.1 | 0 | 0 | 112.9 | Y1768 T1770 L1780 C1831 K1832 | Y1768-E1772 PolarHBondContact O-N 2.84Å; Y1768-E1772 PolarHBondContact OH-OE1 2.91Å; Y1768-E1772 PolarHBondContact OH-OE2 3.23Å; T1770-E1772 PolarHBondContact O-N 3.36Å; E1772-L1780 HydrophobicContact CB-CD1 4.43Å; E1772-C1831 WeakPolarHBondContact OE1-CA 3.38Å; E1772-C1831 WeakPolarHBondContact OE2-CA 3.19Å; E1772-K1832 PolarHBondContact OE1-N 2.88Å |
| 1773 | R | 71.1 | Confident | 70 | Confident | 190 Ų | 190 | 66.8 Ų | 66.8 | 72% | 0.717 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -71.3 | -44 | 170.3 | -72.4 | 169.7 | -157.8 | -174.1 | 6.8 | 111.4 | P1769 T1770 D1771 A1775 A1776 | P1769-R1773 WeakPolarHBondContact O-CD 3.46Å; P1769-R1773 WeakPolarHBondContact O-CG 3.31Å; P1769-R1773 PolarHBondContact O-NE 3.22Å; P1769-R1773 VanDerWaalsContact O-NE 3.08Å; T1770-R1773 WeakPolarHBondContact O-CB 3.26Å; T1770-R1773 PolarHBondContact O-N 3.34Å; T1770-R1773 VanDerWaalsContact O-N 3.17Å; D1771-R1773 VanDerWaalsContact C-N 3.32Å; D1771-R1773 PolarHBondContact O-N 2.93Å; R1773-A1775 VanDerWaalsContact C-N 3.3Å; R1773-A1775 PolarHBondContact O-N 2.89Å; R1773-A1776 PolarHBondContact O-N 3.11Å |
| 1774 | L | 68 | Low | 69.6 | Low | 136 Ų | 136 | 65.9 Ų | 65.9 | 71% | 0.712 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66.1 | -31.5 | 178.4 | -70 | 169.7 | 0 | 0 | 0 | 112.3 | T1770 D1771 A1776 | T1770-L1774 HydrophobicContact CG2-CD1 4.17Å; T1770-L1774 WeakPolarHBondContact O-CG 3.36Å; T1770-L1774 PolarHBondContact O-N 3Å; D1771-L1774 PolarHBondContact O-N 2.96Å; L1774-A1776 PolarHBondContact O-N 2.74Å; L1774-A1776 VanDerWaalsContact O-N 3.13Å |
| 1775 | A | 65.4 | Low | 69.5 | Low | 26 Ų | 26 | 65.7 Ų | 65.7 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -7.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1771 R1773 G1777 Q1778 L1780 | D1771-A1775 WeakPolarHBondContact O-CB 3.26Å; D1771-A1775 PolarHBondContact O-N 3.01Å; R1773-A1775 VanDerWaalsContact C-N 3.3Å; R1773-A1775 PolarHBondContact O-N 2.89Å; A1775-G1777 PolarHBondContact O-N 2.85Å; A1775-Q1778 PolarHBondContact O-N 2.71Å; A1775-L1780 HydrophobicContact CB-CD2 4.06Å |
| 1776 | A | 62.7 | Low | 69.1 | Low | 97 Ų | 97 | 68 Ų | 68 | 80% | 0.802 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 20.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | R1773 L1774 | R1773-A1776 PolarHBondContact O-N 3.11Å; L1774-A1776 PolarHBondContact O-N 2.74Å; L1774-A1776 VanDerWaalsContact O-N 3.13Å |
| 1777 | G | 61.5 | Low | 68.8 | Low | 44 Ų | 44 | 67.7 Ų | 67.7 | 45% | 0.454 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | 1.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | A1775 | A1775-G1777 PolarHBondContact O-N 2.85Š|
| 1778 | Q | 63.5 | Low | 68.8 | Low | 156 Ų | 156 | 64 Ų | 64 | 73% | 0.729 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -77.5 | 153.6 | 162.5 | -67.6 | -159.1 | -2.5 | 0 | 0 | 110.9 | A1775 | A1775-Q1778 PolarHBondContact O-N 2.71Š|
| 1779 | P | 62.9 | Low | 69 | Low | 109 Ų | 109 | 66 Ų | 66 | 71% | 0.708 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 142.2 | 174.3 | 27.9 | -34.8 | 0 | 0 | 0 | 111 | ||
| 1780 | L | 67.6 | Low | 69.3 | Low | 15 Ų | 15 | 68 Ų | 68 | 8% | 0.079 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -66 | 146.6 | 177.9 | -74.9 | 161.1 | 0 | 0 | 0 | 111.7 | Y1768 D1771 E1772 A1775 R1784 | Y1768-L1780 HydrophobicContact CD2-CD1 4.16Å; Y1768-L1780 HydrophobicContact CE2-CD1 3.38Å; D1771-L1780 HydrophobicContact CB-CD2 4.19Å; E1772-L1780 HydrophobicContact CB-CD1 4.43Å; A1775-L1780 HydrophobicContact CB-CD2 4.06Å; L1780-R1784 HydrophobicContact CB-CB 4.49Å |
| 1781 | P | 65.5 | Low | 69.7 | Low | 53 Ų | 53 | 64.9 Ų | 64.9 | 34% | 0.344 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 145.6 | 178 | -27.8 | 35.4 | 0 | 0 | 0 | 113.3 | Y1783 R1784 T1785 | P1781-Y1783 HydrophobicContact CB-CD1 3.63Å; P1781-Y1783 HydrophobicContact CB-CE1 3.37Å; P1781-Y1783 HydrophobicContact CB-CG 4.46Å; P1781-Y1783 HydrophobicContact CG-CE1 3.99Å; P1781-Y1783 PolarHBondContact O-N 2.99Å; P1781-R1784 PolarHBondContact O-N 3.49Å; P1781-T1785 PolarHBondContact O-N 3.46Å; P1781-T1785 VanDerWaalsContact O-N 3.09Å |
| 1782 | N | 66.5 | Low | 70.3 | Confident | 143 Ų | 143 | 63 Ų | 63 | 77% | 0.765 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -56.3 | -30.8 | -175.1 | -67.3 | 9.2 | 0 | 0 | 0 | 113.3 | T1785 A1786 | N1782-T1785 PolarHBondContact O-N 2.78Å; N1782-A1786 WeakPolarHBondContact O-CB 3.16Å; N1782-A1786 PolarHBondContact O-N 3.13Å |
| 1783 | Y | 66.9 | Low | 70.8 | Confident | 57 Ų | 57 | 64.1 Ų | 64.1 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 176.5 | 70.3 | -99.3 | 0 | 0 | 0 | 112.4 | H1698 P1781 A1786 E1787 | H1698-Y1783 AromaticContact CE1-CD2 3.19Å; H1698-Y1783 WeakPolarHBondContact CE1-CD2 3.39Å; H1698-Y1783 AromaticContact CE1-CE2 3.26Å; H1698-Y1783 WeakPolarHBondContact CE1-CE2 3.47Å; H1698-Y1783 AromaticContact CE1-CG 3.99Å; H1698-Y1783 AromaticContact ND1-CE2 3.91Å; H1698-Y1783 AromaticContact NE2-CD2 3.38Å; H1698-Y1783 WeakPolarHBondContact NE2-CD2 3.5Å; H1698-Y1783 AromaticContact NE2-CE2 3.6Å; P1781-Y1783 HydrophobicContact CB-CD1 3.63Å; P1781-Y1783 HydrophobicContact CB-CE1 3.37Å; P1781-Y1783 HydrophobicContact CB-CG 4.46Å; P1781-Y1783 HydrophobicContact CG-CE1 3.99Å; P1781-Y1783 PolarHBondContact O-N 2.99Å; Y1783-A1786 PolarHBondContact O-N 3.34Å; Y1783-E1787 WeakPolarHBondContact O-CB 3.46Å; Y1783-E1787 PolarHBondContact O-N 3.22Å |
| 1784 | R | 69.2 | Low | 71.1 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 18% | 0.181 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 173.1 | -86.1 | -53.1 | -148.1 | -154 | 1.4 | 111.1 | D1771 L1780 P1781 A1786 E1787 L1788 | D1771-R1784 IonicContact OD1-NH2 2.65Å; D1771-R1784 IonicContact OD2-CZ 3.84Å; D1771-R1784 IonicContact OD2-NE 2.81Å; D1771-R1784 PolarHBondContact OD2-NE 3.27Å; D1771-R1784 IonicContact OD2-NH2 3.93Å; D1771-R1784 PolarHBondContact OD2-NH2 2.94Å; L1780-R1784 HydrophobicContact CB-CB 4.49Å; P1781-R1784 PolarHBondContact O-N 3.49Å; R1784-A1786 VanDerWaalsContact C-N 3.31Å; R1784-A1786 PolarHBondContact O-N 3.01Å; R1784-E1787 WeakPolarHBondContact CD-OE2 3.46Å; R1784-E1787 IonicContact CZ-OE2 2.81Å; R1784-E1787 IonicContact NE-OE2 3.46Å; R1784-E1787 IonicContact NH1-OE2 3.46Å; R1784-E1787 PolarHBondContact NH1-OE2 3.39Å; R1784-E1787 PolarHBondContact O-N 3.15Å; R1784-L1788 WeakPolarHBondContact O-CB 3.11Å; R1784-L1788 VanDerWaalsContact O-CD1 3.28Å; R1784-L1788 WeakPolarHBondContact O-CD1 3.37Å; R1784-L1788 WeakPolarHBondContact O-CG 3.33Å; R1784-L1788 PolarHBondContact O-N 3.5Å |
| 1785 | T | 73.3 | Confident | 71.7 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.7 | -43.3 | 176.2 | -65.5 | 0 | 0 | 0 | 0 | 111.3 | P1781 N1782 V1789 T1833 E1835 V1836 | P1781-T1785 PolarHBondContact O-N 3.46Å; P1781-T1785 VanDerWaalsContact O-N 3.09Å; N1782-T1785 PolarHBondContact O-N 2.78Å; T1785-V1789 WeakPolarHBondContact O-CB 3.06Å; T1785-V1789 VanDerWaalsContact O-CG2 3.25Å; T1785-V1789 WeakPolarHBondContact O-CG2 3.43Å; T1785-V1789 PolarHBondContact O-N 3.17Å; T1785-V1789 VanDerWaalsContact O-N 3.07Å; T1785-T1833 HydrophobicContact CG2-CG2 4.11Å; T1785-E1835 HydrophobicContact CG2-CB 3.98Å; T1785-V1836 HydrophobicContact CG2-CG2 3.93Å |
| 1786 | A | 71.3 | Confident | 72.4 | Confident | 49 Ų | 49 | 48.3 Ų | 48.3 | 41% | 0.405 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | N1782 Y1783 R1784 L1788 V1789 Q1790 | N1782-A1786 WeakPolarHBondContact O-CB 3.16Å; N1782-A1786 PolarHBondContact O-N 3.13Å; Y1783-A1786 PolarHBondContact O-N 3.34Å; R1784-A1786 VanDerWaalsContact C-N 3.31Å; R1784-A1786 PolarHBondContact O-N 3.01Å; A1786-L1788 VanDerWaalsContact C-N 3.35Å; A1786-L1788 PolarHBondContact O-N 3.5Å; A1786-V1789 PolarHBondContact O-N 2.88Å; A1786-Q1790 VanDerWaalsContact O-CB 3.31Å; A1786-Q1790 WeakPolarHBondContact O-CB 3.2Å; A1786-Q1790 PolarHBondContact O-N 3.11Å |
| 1787 | E | 73.9 | Confident | 73.1 | Confident | 34 Ų | 34 | 46.1 Ų | 46.1 | 16% | 0.159 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.3 | -45.4 | 176.6 | -173.6 | -178.6 | -154.4 | 0 | 0 | 111.3 | R1760 V1764 Y1783 R1784 Q1790 V1791 | R1760-E1787 IonicContact CZ-OE1 2.68Å; R1760-E1787 IonicContact NE-OE1 2.74Å; R1760-E1787 IonicContact NH2-OE1 3.71Å; R1760-E1787 PolarHBondContact NH2-OE1 3.14Å; V1764-E1787 HydrophobicContact CG1-CG 4.18Å; V1764-E1787 HydrophobicContact CG2-CG 4.46Å; Y1783-E1787 WeakPolarHBondContact O-CB 3.46Å; Y1783-E1787 PolarHBondContact O-N 3.22Å; R1784-E1787 WeakPolarHBondContact CD-OE2 3.46Å; R1784-E1787 IonicContact CZ-OE2 2.81Å; R1784-E1787 IonicContact NE-OE2 3.46Å; R1784-E1787 IonicContact NH1-OE2 3.46Å; R1784-E1787 PolarHBondContact NH1-OE2 3.39Å; R1784-E1787 PolarHBondContact O-N 3.15Å; E1787-Q1790 PolarHBondContact O-N 3.33Å; E1787-V1791 WeakPolarHBondContact O-CB 3.21Å; E1787-V1791 WeakPolarHBondContact O-CG2 3.45Å; E1787-V1791 PolarHBondContact O-N 3.36Å |
| 1788 | L | 77.2 | Confident | 73.8 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.6 | -44.9 | 177.5 | -68.5 | 158.8 | 0 | 0 | 0 | 112.4 | V1764 Y1768 R1784 A1786 Q1790 V1791 F1792 V1836 | V1764-L1788 HydrophobicContact CG1-CD2 3.96Å; Y1768-L1788 HydrophobicContact CD2-CD1 3.37Å; Y1768-L1788 HydrophobicContact CD2-CD2 3.65Å; Y1768-L1788 HydrophobicContact CD2-CG 4.16Å; Y1768-L1788 HydrophobicContact CE2-CD1 3.49Å; Y1768-L1788 VanDerWaalsContact CE2-CD1 3.49Å; Y1768-L1788 HydrophobicContact CE2-CD2 4.48Å; Y1768-L1788 HydrophobicContact CG-CD2 4.09Å; R1784-L1788 WeakPolarHBondContact O-CB 3.11Å; R1784-L1788 VanDerWaalsContact O-CD1 3.28Å; R1784-L1788 WeakPolarHBondContact O-CD1 3.37Å; R1784-L1788 WeakPolarHBondContact O-CG 3.33Å; R1784-L1788 PolarHBondContact O-N 3.5Å; A1786-L1788 VanDerWaalsContact C-N 3.35Å; A1786-L1788 PolarHBondContact O-N 3.5Å; L1788-Q1790 VanDerWaalsContact C-N 3.32Å; L1788-Q1790 PolarHBondContact O-N 3.33Å; L1788-V1791 PolarHBondContact O-N 2.89Å; L1788-F1792 WeakPolarHBondContact O-CB 3.45Å; L1788-F1792 VanDerWaalsContact O-CG 3.25Å; L1788-F1792 WeakPolarHBondContact O-CG 3.39Å; L1788-F1792 PolarHBondContact O-N 3.12Å; L1788-V1836 HydrophobicContact CB-CG1 4.42Å; L1788-V1836 HydrophobicContact CB-CG2 4.4Å; L1788-V1836 HydrophobicContact CD1-CG1 4.4Å; L1788-V1836 HydrophobicContact CD1-CG2 4.13Å |
| 1789 | V | 79.8 | Confident | 74.4 | Confident | 49 Ų | 49 | 36.9 Ų | 36.9 | 30% | 0.297 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 176.4 | 167.4 | 0 | 0 | 0 | 0 | 110.8 | T1785 A1786 S1793 A1839 | T1785-V1789 WeakPolarHBondContact O-CB 3.06Å; T1785-V1789 VanDerWaalsContact O-CG2 3.25Å; T1785-V1789 WeakPolarHBondContact O-CG2 3.43Å; T1785-V1789 PolarHBondContact O-N 3.17Å; T1785-V1789 VanDerWaalsContact O-N 3.07Å; A1786-V1789 PolarHBondContact O-N 2.88Å; V1789-S1793 WeakPolarHBondContact O-CB 3.25Å; V1789-S1793 PolarHBondContact O-N 2.99Å; V1789-A1839 HydrophobicContact CB-CB 4.17Å; V1789-A1839 HydrophobicContact CG1-CB 4.07Å; V1789-A1839 HydrophobicContact CG2-CB 3.85Å |
| 1790 | Q | 77.2 | Confident | 74.9 | Confident | 65 Ų | 65 | 36.4 Ų | 36.4 | 30% | 0.304 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.4 | -43.7 | 177 | -172.5 | 63.2 | 25.9 | 0 | 0 | 111.6 | F1721 A1786 E1787 L1788 S1793 T1794 | F1721-Q1790 HydrophobicContact CD1-CG 4.25Å; F1721-Q1790 HydrophobicContact CE1-CG 3.99Å; A1786-Q1790 VanDerWaalsContact O-CB 3.31Å; A1786-Q1790 WeakPolarHBondContact O-CB 3.2Å; A1786-Q1790 PolarHBondContact O-N 3.11Å; E1787-Q1790 PolarHBondContact O-N 3.33Å; L1788-Q1790 VanDerWaalsContact C-N 3.32Å; L1788-Q1790 PolarHBondContact O-N 3.33Å; Q1790-S1793 PolarHBondContact O-N 2.87Å; Q1790-T1794 VanDerWaalsContact O-CB 3.31Å; Q1790-T1794 WeakPolarHBondContact O-CB 3.42Å; Q1790-T1794 PolarHBondContact O-N 3.36Å; Q1790-T1794 PolarHBondContact O-OG1 3.07Å |
| 1791 | V | 80.3 | Confident | 75 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 176.4 | 165.9 | 0 | 0 | 0 | 0 | 111.7 | C1761 V1764 V1765 E1787 L1788 T1794 I1795 | C1761-V1791 HydrophobicContact CB-CG1 4.06Å; V1764-V1791 HydrophobicContact CB-CG2 4.25Å; V1764-V1791 HydrophobicContact CG1-CG2 4.12Å; V1764-V1791 HydrophobicContact CG2-CG2 4.37Å; V1765-V1791 HydrophobicContact CG2-CG1 3.95Å; E1787-V1791 WeakPolarHBondContact O-CB 3.21Å; E1787-V1791 WeakPolarHBondContact O-CG2 3.45Å; E1787-V1791 PolarHBondContact O-N 3.36Å; L1788-V1791 PolarHBondContact O-N 2.89Å; V1791-T1794 WeakPolarHBondContact O-CB 3.25Å; V1791-T1794 PolarHBondContact O-N 3.34Å; V1791-I1795 HydrophobicContact CG1-CD1 3.88Å; V1791-I1795 HydrophobicContact CG1-CG1 4.45Å; V1791-I1795 WeakPolarHBondContact O-CG1 3.48Å; V1791-I1795 PolarHBondContact O-N 3.45Å |
| 1792 | F | 83.6 | Confident | 75.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 176.2 | -66.9 | -19.4 | 0 | 0 | 0 | 112.4 | V1765 L1788 T1794 I1795 V1796 L1825 C1828 V1836 A1839 L1840 C1843 | V1765-F1792 HydrophobicContact CG2-CD1 4.41Å; V1765-F1792 HydrophobicContact CG2-CE1 3.9Å; L1788-F1792 WeakPolarHBondContact O-CB 3.45Å; L1788-F1792 VanDerWaalsContact O-CG 3.25Å; L1788-F1792 WeakPolarHBondContact O-CG 3.39Å; L1788-F1792 PolarHBondContact O-N 3.12Å; F1792-T1794 PolarHBondContact O-N 3.32Å; F1792-I1795 PolarHBondContact O-N 3.04Å; F1792-V1796 WeakPolarHBondContact O-CG2 3.31Å; F1792-V1796 PolarHBondContact O-N 2.94Å; F1792-L1825 HydrophobicContact CD1-CD2 3.76Å; F1792-L1825 HydrophobicContact CE1-CD2 3.46Å; F1792-L1825 VanDerWaalsContact CE1-CD2 3.46Å; F1792-L1825 HydrophobicContact CZ-CD2 4.37Å; F1792-C1828 HydrophobicContact CZ-CB 4.31Å; F1792-V1836 HydrophobicContact CE2-CG1 3.65Å; F1792-V1836 HydrophobicContact CZ-CG1 4.35Å; F1792-A1839 HydrophobicContact CB-CB 4.13Å; F1792-A1839 HydrophobicContact CD2-CB 3.94Å; F1792-L1840 HydrophobicContact CD2-CB 4.02Å; F1792-L1840 HydrophobicContact CD2-CD1 4.44Å; F1792-L1840 HydrophobicContact CE1-CD1 4.2Å; F1792-L1840 HydrophobicContact CE2-CB 3.76Å; F1792-L1840 HydrophobicContact CE2-CD1 3.98Å; F1792-L1840 HydrophobicContact CE2-CG 4.36Å; F1792-L1840 HydrophobicContact CZ-CB 4.47Å; F1792-L1840 HydrophobicContact CZ-CD1 3.85Å; F1792-C1843 HydrophobicContact CB-CB 4.24Å |
| 1793 | S | 80.2 | Confident | 75.5 | Confident | 64 Ų | 64 | 35.9 Ų | 35.9 | 45% | 0.448 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.8 | -34.9 | 173.5 | -167 | 0 | 0 | 0 | 0 | 112 | V1789 Q1790 T1797 | V1789-S1793 WeakPolarHBondContact O-CB 3.25Å; V1789-S1793 PolarHBondContact O-N 2.99Å; Q1790-S1793 PolarHBondContact O-N 2.87Å; S1793-T1797 WeakPolarHBondContact O-CB 3.36Å; S1793-T1797 PolarHBondContact O-N 2.9Å; S1793-T1797 PolarHBondContact O-OG1 3.06Å |
| 1794 | T | 77.3 | Confident | 75.5 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.4 | -45.7 | 175.7 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | F1721 L1725 L1757 Q1790 V1791 F1792 V1796 T1797 M1798 | F1721-T1794 HydrophobicContact CE1-CG2 4.23Å; F1721-T1794 WeakPolarHBondContact CE1-OG1 3.45Å; F1721-T1794 HydrophobicContact CZ-CG2 4.01Å; L1725-T1794 HydrophobicContact CD1-CG2 3.92Å; L1757-T1794 HydrophobicContact CD1-CG2 4.24Å; L1757-T1794 HydrophobicContact CD2-CG2 4Å; L1757-T1794 HydrophobicContact CG-CG2 4.24Å; Q1790-T1794 VanDerWaalsContact O-CB 3.31Å; Q1790-T1794 WeakPolarHBondContact O-CB 3.42Å; Q1790-T1794 PolarHBondContact O-N 3.36Å; Q1790-T1794 PolarHBondContact O-OG1 3.07Å; V1791-T1794 WeakPolarHBondContact O-CB 3.25Å; V1791-T1794 PolarHBondContact O-N 3.34Å; F1792-T1794 PolarHBondContact O-N 3.32Å; T1794-V1796 VanDerWaalsContact C-N 3.35Å; T1794-V1796 PolarHBondContact O-N 3.29Å; T1794-T1797 WeakPolarHBondContact O-CB 3.42Å; T1794-T1797 PolarHBondContact O-N 3.42Å; T1794-T1797 VanDerWaalsContact O-N 3.16Å; T1794-M1798 HydrophobicContact CG2-CG 4.33Å; T1794-M1798 HydrophobicContact CG2-SD 3.69Å; T1794-M1798 VanDerWaalsContact O-CG 3.25Å; T1794-M1798 WeakPolarHBondContact O-CG 3.42Å; T1794-M1798 PolarHBondContact O-N 3.46Å |
| 1795 | I | 80.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -43 | 176.1 | -66.4 | 163.4 | 0 | 0 | 0 | 110.9 | C1761 V1765 V1791 F1792 M1798 V1799 L1818 I1821 L1825 F1847 | C1761-I1795 HydrophobicContact CB-CD1 4.19Å; C1761-I1795 HydrophobicContact CB-CG1 4.09Å; V1765-I1795 HydrophobicContact CG2-CD1 4.17Å; V1791-I1795 HydrophobicContact CG1-CD1 3.88Å; V1791-I1795 HydrophobicContact CG1-CG1 4.45Å; V1791-I1795 WeakPolarHBondContact O-CG1 3.48Å; V1791-I1795 PolarHBondContact O-N 3.45Å; F1792-I1795 PolarHBondContact O-N 3.04Å; I1795-M1798 PolarHBondContact O-N 3.04Å; I1795-V1799 HydrophobicContact CG2-CG2 4.3Å; I1795-V1799 WeakPolarHBondContact O-CB 3.46Å; I1795-V1799 WeakPolarHBondContact O-CG2 3.41Å; I1795-V1799 PolarHBondContact O-N 3.38Å; I1795-L1818 HydrophobicContact CG2-CD2 4.28Å; I1795-I1821 HydrophobicContact CD1-CG2 4.24Å; I1795-L1825 HydrophobicContact CD1-CD2 4.35Å; I1795-L1825 HydrophobicContact CG2-CD1 4.5Å; I1795-F1847 HydrophobicContact CG2-CE2 3.78Å; I1795-F1847 HydrophobicContact CG2-CZ 4.12Å |
| 1796 | V | 80.7 | Confident | 74.8 | Confident | 19 Ų | 19 | 43.6 Ų | 43.6 | 12% | 0.115 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.6 | -53 | 172.2 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | F1792 T1794 M1798 V1799 E1800 P1842 C1843 | F1792-V1796 WeakPolarHBondContact O-CG2 3.31Å; F1792-V1796 PolarHBondContact O-N 2.94Å; T1794-V1796 VanDerWaalsContact C-N 3.35Å; T1794-V1796 PolarHBondContact O-N 3.29Å; V1796-M1798 VanDerWaalsContact C-N 3.32Å; V1796-M1798 PolarHBondContact O-N 2.87Å; V1796-V1799 PolarHBondContact O-N 3.36Å; V1796-E1800 HydrophobicContact CG1-CG 4.25Å; V1796-E1800 WeakPolarHBondContact O-CB 3.36Å; V1796-E1800 WeakPolarHBondContact O-CG 3.35Å; V1796-E1800 PolarHBondContact O-N 3.48Å; V1796-P1842 HydrophobicContact CG2-CB 4.04Å; V1796-C1843 VanDerWaalsContact CG2-CA 3.48Å; V1796-C1843 HydrophobicContact CG2-CB 4.04Å |
| 1797 | T | 76.4 | Confident | 74.3 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 31% | 0.313 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.9 | -41.2 | -178.7 | -53.7 | 0 | 0 | 0 | 0 | 112.5 | V1729 S1793 T1794 T1801 | V1729-T1797 HydrophobicContact CG1-CG2 4.34Å; S1793-T1797 WeakPolarHBondContact O-CB 3.36Å; S1793-T1797 PolarHBondContact O-N 2.9Å; S1793-T1797 PolarHBondContact O-OG1 3.06Å; T1794-T1797 WeakPolarHBondContact O-CB 3.42Å; T1794-T1797 PolarHBondContact O-N 3.42Å; T1794-T1797 VanDerWaalsContact O-N 3.16Å; T1797-T1801 WeakPolarHBondContact O-CB 3.36Å; T1797-T1801 PolarHBondContact O-N 3.41Å; T1797-T1801 PolarHBondContact O-OG1 2.95Å |
| 1798 | M | 76 | Confident | 73.8 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.2 | -48.6 | 176.8 | -68.4 | 165.1 | 76.1 | 0 | 0 | 111.9 | L1754 L1757 M1758 T1794 I1795 V1796 T1801 L1802 L1818 | L1754-M1798 HydrophobicContact CD1-CE 3.8Å; L1754-M1798 HydrophobicContact CG-CE 4.3Å; L1757-M1798 HydrophobicContact CD2-CE 3.98Å; L1757-M1798 HydrophobicContact CD2-CG 4.3Å; L1757-M1798 HydrophobicContact CD2-SD 3.63Å; L1757-M1798 HydrophobicContact CG-CE 4.24Å; L1757-M1798 HydrophobicContact CG-SD 4.04Å; M1758-M1798 HydrophobicContact CB-CE 4.45Å; M1758-M1798 HydrophobicContact CG-CE 3.36Å; M1758-M1798 HydrophobicContact SD-CE 4.47Å; T1794-M1798 HydrophobicContact CG2-CG 4.33Å; T1794-M1798 HydrophobicContact CG2-SD 3.69Å; T1794-M1798 VanDerWaalsContact O-CG 3.25Å; T1794-M1798 WeakPolarHBondContact O-CG 3.42Å; T1794-M1798 PolarHBondContact O-N 3.46Å; I1795-M1798 PolarHBondContact O-N 3.04Å; V1796-M1798 VanDerWaalsContact C-N 3.32Å; V1796-M1798 PolarHBondContact O-N 2.87Å; M1798-T1801 PolarHBondContact O-N 2.97Å; M1798-L1802 WeakPolarHBondContact O-CB 3.43Å; M1798-L1802 VanDerWaalsContact O-CG 3.28Å; M1798-L1802 WeakPolarHBondContact O-CG 3.31Å; M1798-L1802 PolarHBondContact O-N 2.87Å; M1798-L1818 HydrophobicContact CB-CD1 4.41Å |
| 1799 | V | 75.5 | Confident | 73.3 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 178.6 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | I1795 V1796 T1801 R1803 L1818 A1846 F1847 | I1795-V1799 HydrophobicContact CG2-CG2 4.3Å; I1795-V1799 WeakPolarHBondContact O-CB 3.46Å; I1795-V1799 WeakPolarHBondContact O-CG2 3.41Å; I1795-V1799 PolarHBondContact O-N 3.38Å; V1796-V1799 PolarHBondContact O-N 3.36Å; V1799-T1801 VanDerWaalsContact C-N 3.35Å; V1799-T1801 PolarHBondContact O-N 2.88Å; V1799-R1803 WeakPolarHBondContact O-CB 3.22Å; V1799-R1803 PolarHBondContact O-N 3.06Å; V1799-L1818 HydrophobicContact CG2-CD2 4.06Å; V1799-A1846 HydrophobicContact CB-CB 4.21Å; V1799-A1846 HydrophobicContact CG1-CB 3.9Å; V1799-F1847 HydrophobicContact CG2-CE1 4.25Å; V1799-F1847 HydrophobicContact CG2-CE2 4.21Å; V1799-F1847 HydrophobicContact CG2-CZ 3.85Å |
| 1800 | E | 74.6 | Confident | 72.5 | Confident | 99 Ų | 99 | 56.9 Ų | 56.9 | 46% | 0.463 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.2 | -30.5 | -179.8 | -71 | -174.4 | 160.2 | 0 | 0 | 113.4 | V1796 Q1804 | V1796-E1800 HydrophobicContact CG1-CG 4.25Å; V1796-E1800 WeakPolarHBondContact O-CB 3.36Å; V1796-E1800 WeakPolarHBondContact O-CG 3.35Å; V1796-E1800 PolarHBondContact O-N 3.48Å; E1800-Q1804 WeakPolarHBondContact O-CG 3.45Å; E1800-Q1804 PolarHBondContact O-NE2 3.3Å |
| 1801 | T | 70.2 | Confident | 72 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 23% | 0.227 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -80.5 | -46.7 | 176.6 | -51.1 | 0 | 0 | 0 | 0 | 111.8 | V1729 T1797 M1798 V1799 R1803 Q1804 | V1729-T1801 HydrophobicContact CG1-CG2 3.9Å; T1797-T1801 WeakPolarHBondContact O-CB 3.36Å; T1797-T1801 PolarHBondContact O-N 3.41Å; T1797-T1801 PolarHBondContact O-OG1 2.95Å; M1798-T1801 PolarHBondContact O-N 2.97Å; V1799-T1801 VanDerWaalsContact C-N 3.35Å; V1799-T1801 PolarHBondContact O-N 2.88Å; T1801-R1803 VanDerWaalsContact C-N 3.29Å; T1801-R1803 PolarHBondContact O-N 3.27Å; T1801-Q1804 WeakPolarHBondContact O-CB 3.46Å; T1801-Q1804 PolarHBondContact O-N 2.64Å; T1801-Q1804 VanDerWaalsContact O-N 3.08Å |
| 1802 | L | 71.3 | Confident | 71.5 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.8 | -35.7 | 177.9 | -68.2 | 167.1 | 0 | 0 | 0 | 111.7 | L1754 M1798 Q1804 Q1805 D1806 V1811 L1815 L1818 | L1754-L1802 HydrophobicContact CD2-CD1 4.39Å; L1754-L1802 HydrophobicContact CD2-CD2 4.35Å; M1798-L1802 WeakPolarHBondContact O-CB 3.43Å; M1798-L1802 VanDerWaalsContact O-CG 3.28Å; M1798-L1802 WeakPolarHBondContact O-CG 3.31Å; M1798-L1802 PolarHBondContact O-N 2.87Å; L1802-Q1804 PolarHBondContact O-N 3.34Å; L1802-Q1805 CarbonylContact O-C 3.56Å; L1802-Q1805 PolarHBondContact O-N 2.95Å; L1802-D1806 PolarHBondContact O-N 3.34Å; L1802-V1811 HydrophobicContact CB-CG1 4.19Å; L1802-V1811 HydrophobicContact CD2-CG1 4.12Å; L1802-V1811 WeakPolarHBondContact O-CG1 3.26Å; L1802-L1815 HydrophobicContact CB-CD2 3.78Å; L1802-L1815 HydrophobicContact CB-CG 4.15Å; L1802-L1818 HydrophobicContact CD1-CD1 3.4Å |
| 1803 | R | 70 | Confident | 70.8 | Confident | 157 Ų | 157 | 62.5 Ų | 62.5 | 59% | 0.592 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -58.7 | -28.1 | 173 | 176.8 | 179.2 | 173.1 | -147.8 | -5.6 | 113.5 | V1799 T1801 Q1805 | V1799-R1803 WeakPolarHBondContact O-CB 3.22Å; V1799-R1803 PolarHBondContact O-N 3.06Å; T1801-R1803 VanDerWaalsContact C-N 3.29Å; T1801-R1803 PolarHBondContact O-N 3.27Å; R1803-Q1805 PolarHBondContact O-N 3.25Å |
| 1804 | Q | 67.6 | Low | 70.4 | Confident | 156 Ų | 156 | 60.7 Ų | 60.7 | 73% | 0.729 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -76.9 | -4.5 | 176.3 | -69.9 | 171 | 59.8 | 0 | 0 | 112.8 | E1800 T1801 L1802 | E1800-Q1804 WeakPolarHBondContact O-CG 3.45Å; E1800-Q1804 PolarHBondContact O-NE2 3.3Å; T1801-Q1804 WeakPolarHBondContact O-CB 3.46Å; T1801-Q1804 PolarHBondContact O-N 2.64Å; T1801-Q1804 VanDerWaalsContact O-N 3.08Å; L1802-Q1804 PolarHBondContact O-N 3.34Å |
| 1805 | Q | 67 | Low | 70.1 | Confident | 46 Ų | 46 | 61.1 Ų | 61.1 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -134.5 | 24.6 | -174.9 | -59.4 | -161.3 | -11 | 0 | 0 | 113.9 | P1732 V1735 L1802 R1803 E1807 | P1732-Q1805 PolarHBondContact O-NE2 3.23Å; V1735-Q1805 HydrophobicContact CG2-CB 3.87Å; V1735-Q1805 HydrophobicContact CG2-CG 4.37Å; L1802-Q1805 CarbonylContact O-C 3.56Å; L1802-Q1805 PolarHBondContact O-N 2.95Å; R1803-Q1805 PolarHBondContact O-N 3.25Å; Q1805-E1807 PolarHBondContact O-N 3.3Å |
| 1806 | D | 60.8 | Low | 69.8 | Low | 70 Ų | 70 | 66.7 Ų | 66.7 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 15.4 | -179.3 | -173.1 | 21.9 | 0 | 0 | 0 | 115 | L1802 C1808 R1812 L1815 | L1802-D1806 PolarHBondContact O-N 3.34Å; D1806-C1808 VanDerWaalsContact C-N 3.29Å; D1806-R1812 PolarHBondContact O-NH2 2.79Å; D1806-R1812 IonicContact OD1-CZ 3.76Å; D1806-R1812 IonicContact OD1-NE 2.97Å; D1806-R1812 PolarHBondContact OD1-NE 3.48Å; D1806-R1812 VanDerWaalsContact OD1-NE 3.11Å; D1806-R1812 IonicContact OD1-NH2 3.9Å; D1806-R1812 PolarHBondContact OD1-NH2 3.07Å; D1806-L1815 HydrophobicContact CB-CD1 4.24Å |
| 1807 | E | 59.6 | Low | 69.4 | Low | 197 Ų | 197 | 70.7 Ų | 70.7 | 92% | 0.921 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -9.4 | 170.2 | -64.7 | -166.5 | 162.5 | 0 | 0 | 113 | Q1805 | Q1805-E1807 PolarHBondContact O-N 3.3Š|
| 1808 | C | 64 | Low | 69.4 | Low | 15 Ų | 15 | 68.3 Ų | 68.3 | 10% | 0.101 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -106.9 | 130.6 | -176.2 | -175.3 | 0 | 0 | 0 | 0 | 112.7 | V1735 D1806 H1810 V1811 R1812 | V1735-C1808 HydrophobicContact CG2-CB 4.34Å; D1806-C1808 VanDerWaalsContact C-N 3.29Å; C1808-H1810 VanDerWaalsContact C-N 3.27Å; C1808-H1810 PolarHBondContact O-N 3.17Å; C1808-V1811 HydrophobicContact CB-CB 4.11Å; C1808-V1811 HydrophobicContact CB-CG2 3.87Å; C1808-V1811 WeakPolarHBondContact O-CA 3.42Å; C1808-V1811 WeakPolarHBondContact O-CB 3.41Å; C1808-V1811 PolarHBondContact O-N 2.93Å; C1808-R1812 PolarHBondContact O-N 3.43Å |
| 1809 | I | 67.1 | Low | 69.2 | Low | 120 Ų | 120 | 70.5 Ų | 70.5 | 62% | 0.615 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -54.8 | -41 | 176.3 | -67.1 | 172.3 | 0 | 0 | 0 | 111.8 | V1811 R1812 N1813 | I1809-V1811 VanDerWaalsContact C-N 3.35Å; I1809-V1811 PolarHBondContact O-N 3.01Å; I1809-R1812 WeakPolarHBondContact O-CB 2.98Å; I1809-R1812 PolarHBondContact O-N 2.7Å; I1809-N1813 VanDerWaalsContact O-CG 3.29Å; I1809-N1813 PolarHBondContact O-N 3.36Å; I1809-N1813 PolarHBondContact O-OD1 3.35Å; I1809-N1813 VanDerWaalsContact O-OD1 3.11Å |
| 1810 | H | 63.2 | Low | 69.3 | Low | 83 Ų | 83 | 75 Ų | 75 | 38% | 0.384 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 176.7 | -83.2 | 71.7 | 0 | 0 | 0 | 112.3 | C1738 E1742 C1808 R1812 N1813 M1814 | C1738-H1810 HydrophobicContact CB-CB 4.45Å; E1742-H1810 IonicContact OE1-CE1 3.97Å; C1808-H1810 VanDerWaalsContact C-N 3.27Å; C1808-H1810 PolarHBondContact O-N 3.17Å; H1810-R1812 VanDerWaalsContact C-N 3.33Å; H1810-N1813 PolarHBondContact O-N 3.18Å; H1810-M1814 WeakPolarHBondContact O-CE 3.46Å; H1810-M1814 VanDerWaalsContact O-CG 3.31Å; H1810-M1814 WeakPolarHBondContact O-CG 3.44Å; H1810-M1814 PolarHBondContact O-N 3.11Å |
| 1811 | V | 66.6 | Low | 69.5 | Low | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.012 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.6 | -38.8 | 173.5 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | L1802 C1808 I1809 M1814 L1815 | L1802-V1811 HydrophobicContact CB-CG1 4.19Å; L1802-V1811 HydrophobicContact CD2-CG1 4.12Å; L1802-V1811 WeakPolarHBondContact O-CG1 3.26Å; C1808-V1811 HydrophobicContact CB-CB 4.11Å; C1808-V1811 HydrophobicContact CB-CG2 3.87Å; C1808-V1811 WeakPolarHBondContact O-CA 3.42Å; C1808-V1811 WeakPolarHBondContact O-CB 3.41Å; C1808-V1811 PolarHBondContact O-N 2.93Å; I1809-V1811 VanDerWaalsContact C-N 3.35Å; I1809-V1811 PolarHBondContact O-N 3.01Å; V1811-M1814 HydrophobicContact CG2-CE 4.26Å; V1811-M1814 PolarHBondContact O-N 3.36Å; V1811-L1815 HydrophobicContact CG1-CD1 4.05Å; V1811-L1815 HydrophobicContact CG1-CG 4.46Å; V1811-L1815 WeakPolarHBondContact O-CG 3.32Å; V1811-L1815 PolarHBondContact O-N 3.23Å |
| 1812 | R | 69.3 | Low | 70 | Confident | 112 Ų | 112 | 72.2 Ų | 72.2 | 42% | 0.423 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 175 | -166.3 | 164.3 | -61.3 | 148.8 | 7.5 | 112.8 | D1806 C1808 I1809 H1810 M1814 L1815 E1816 | D1806-R1812 PolarHBondContact O-NH2 2.79Å; D1806-R1812 IonicContact OD1-CZ 3.76Å; D1806-R1812 IonicContact OD1-NE 2.97Å; D1806-R1812 PolarHBondContact OD1-NE 3.48Å; D1806-R1812 VanDerWaalsContact OD1-NE 3.11Å; D1806-R1812 IonicContact OD1-NH2 3.9Å; D1806-R1812 PolarHBondContact OD1-NH2 3.07Å; C1808-R1812 PolarHBondContact O-N 3.43Å; I1809-R1812 WeakPolarHBondContact O-CB 2.98Å; I1809-R1812 PolarHBondContact O-N 2.7Å; H1810-R1812 VanDerWaalsContact C-N 3.33Å; R1812-M1814 VanDerWaalsContact C-N 3.26Å; R1812-M1814 PolarHBondContact O-N 3.46Å; R1812-L1815 CarbonylContact O-C 3.57Å; R1812-L1815 WeakPolarHBondContact O-CA 3.46Å; R1812-L1815 WeakPolarHBondContact O-CB 3.41Å; R1812-L1815 PolarHBondContact O-N 2.67Å; R1812-L1815 VanDerWaalsContact O-N 3.1Å; R1812-E1816 WeakPolarHBondContact O-CG 3.21Å; R1812-E1816 PolarHBondContact O-N 3.25Å |
| 1813 | N | 70 | Confident | 70.3 | Confident | 71 Ų | 71 | 75.6 Ų | 75.6 | 38% | 0.38 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.6 | -34.6 | 174.6 | -64.3 | 6.4 | 0 | 0 | 0 | 111.9 | I1809 H1810 Q1817 | I1809-N1813 VanDerWaalsContact O-CG 3.29Å; I1809-N1813 PolarHBondContact O-N 3.36Å; I1809-N1813 PolarHBondContact O-OD1 3.35Å; I1809-N1813 VanDerWaalsContact O-OD1 3.11Å; H1810-N1813 PolarHBondContact O-N 3.18Å; N1813-Q1817 WeakPolarHBondContact O-CG 3.43Å; N1813-Q1817 PolarHBondContact O-N 3.3Å |
| 1814 | M | 70.6 | Confident | 70.7 | Confident | 27 Ų | 27 | 70.4 Ų | 70.4 | 13% | 0.133 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.6 | -33.4 | 174.5 | -68.9 | -176.5 | -64.4 | 0 | 0 | 112.3 | L1754 H1810 V1811 R1812 L1818 | L1754-M1814 HydrophobicContact CD2-CE 4.38Å; L1754-M1814 HydrophobicContact CD2-SD 3.55Å; L1754-M1814 VanDerWaalsContact CD2-SD 3.55Å; H1810-M1814 WeakPolarHBondContact O-CE 3.46Å; H1810-M1814 VanDerWaalsContact O-CG 3.31Å; H1810-M1814 WeakPolarHBondContact O-CG 3.44Å; H1810-M1814 PolarHBondContact O-N 3.11Å; V1811-M1814 HydrophobicContact CG2-CE 4.26Å; V1811-M1814 PolarHBondContact O-N 3.36Å; R1812-M1814 VanDerWaalsContact C-N 3.26Å; R1812-M1814 PolarHBondContact O-N 3.46Å; M1814-L1818 WeakPolarHBondContact O-CB 3.44Å; M1814-L1818 PolarHBondContact O-N 2.68Å |
| 1815 | L | 72 | Confident | 71.3 | Confident | 10 Ų | 10 | 63 Ų | 63 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 170.2 | -75 | 166.2 | 0 | 0 | 0 | 111.9 | L1802 D1806 V1811 R1812 L1818 S1819 F1850 | L1802-L1815 HydrophobicContact CB-CD2 3.78Å; L1802-L1815 HydrophobicContact CB-CG 4.15Å; D1806-L1815 HydrophobicContact CB-CD1 4.24Å; V1811-L1815 HydrophobicContact CG1-CD1 4.05Å; V1811-L1815 HydrophobicContact CG1-CG 4.46Å; V1811-L1815 WeakPolarHBondContact O-CG 3.32Å; V1811-L1815 PolarHBondContact O-N 3.23Å; R1812-L1815 CarbonylContact O-C 3.57Å; R1812-L1815 WeakPolarHBondContact O-CA 3.46Å; R1812-L1815 WeakPolarHBondContact O-CB 3.41Å; R1812-L1815 PolarHBondContact O-N 2.67Å; R1812-L1815 VanDerWaalsContact O-N 3.1Å; L1815-L1818 CarbonylContact O-C 3.58Å; L1815-L1818 WeakPolarHBondContact O-CB 3.32Å; L1815-L1818 PolarHBondContact O-N 3.01Å; L1815-S1819 PolarHBondContact O-N 3.09Å; L1815-F1850 HydrophobicContact CB-CZ 4.45Å |
| 1816 | E | 73.1 | Confident | 71.8 | Confident | 117 Ų | 117 | 63.8 Ų | 63.8 | 55% | 0.547 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 172.1 | -73.9 | 179.7 | 165.4 | 0 | 0 | 111.5 | R1812 L1818 S1819 E1820 | R1812-E1816 WeakPolarHBondContact O-CG 3.21Å; R1812-E1816 PolarHBondContact O-N 3.25Å; E1816-L1818 VanDerWaalsContact C-N 3.26Å; E1816-L1818 PolarHBondContact O-N 3.22Å; E1816-S1819 WeakPolarHBondContact O-CA 3.41Å; E1816-S1819 VanDerWaalsContact O-CB 3.31Å; E1816-S1819 WeakPolarHBondContact O-CB 3.28Å; E1816-S1819 PolarHBondContact O-N 2.98Å; E1816-S1819 PolarHBondContact O-OG 3.41Å; E1816-E1820 PolarHBondContact O-N 2.99Å |
| 1817 | Q | 73.4 | Confident | 72.4 | Confident | 103 Ų | 103 | 63.7 Ų | 63.7 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.7 | -28.6 | 174.8 | -73.5 | 178.5 | 15.8 | 0 | 0 | 113.1 | M1758 N1813 | M1758-Q1817 HydrophobicContact CE-CB 3.45Å; M1758-Q1817 VanDerWaalsContact CE-CB 3.45Å; N1813-Q1817 WeakPolarHBondContact O-CG 3.43Å; N1813-Q1817 PolarHBondContact O-N 3.3Å |
| 1818 | L | 74.6 | Confident | 73.1 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.9 | -32.8 | 168.1 | -101 | 154.2 | 0 | 0 | 0 | 112.1 | M1758 I1795 M1798 V1799 L1802 M1814 L1815 E1816 E1820 I1821 F1847 | M1758-L1818 HydrophobicContact CE-CG 4.11Å; I1795-L1818 HydrophobicContact CG2-CD2 4.28Å; M1798-L1818 HydrophobicContact CB-CD1 4.41Å; V1799-L1818 HydrophobicContact CG2-CD2 4.06Å; L1802-L1818 HydrophobicContact CD1-CD1 3.4Å; M1814-L1818 WeakPolarHBondContact O-CB 3.44Å; M1814-L1818 PolarHBondContact O-N 2.68Å; L1815-L1818 CarbonylContact O-C 3.58Å; L1815-L1818 WeakPolarHBondContact O-CB 3.32Å; L1815-L1818 PolarHBondContact O-N 3.01Å; E1816-L1818 VanDerWaalsContact C-N 3.26Å; E1816-L1818 PolarHBondContact O-N 3.22Å; L1818-E1820 VanDerWaalsContact C-N 3.26Å; L1818-E1820 PolarHBondContact O-N 3.18Å; L1818-I1821 HydrophobicContact CD2-CD1 4.23Å; L1818-I1821 WeakPolarHBondContact O-CB 3.47Å; L1818-I1821 PolarHBondContact O-N 3.36Å; L1818-F1847 HydrophobicContact CD2-CZ 4.37Å; L1818-F1847 WeakPolarHBondContact O-CE1 3.2Å; L1818-F1847 WeakPolarHBondContact O-CZ 3.48Å |
| 1819 | S | 72.6 | Confident | 73.5 | Confident | 46 Ų | 46 | 57.8 Ų | 57.8 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.2 | -27.9 | 176.5 | 85.2 | 0 | 0 | 0 | 0 | 112.9 | L1815 E1816 I1821 Y1822 P1823 | L1815-S1819 PolarHBondContact O-N 3.09Å; E1816-S1819 WeakPolarHBondContact O-CA 3.41Å; E1816-S1819 VanDerWaalsContact O-CB 3.31Å; E1816-S1819 WeakPolarHBondContact O-CB 3.28Å; E1816-S1819 PolarHBondContact O-N 2.98Å; E1816-S1819 PolarHBondContact O-OG 3.41Å; S1819-I1821 PolarHBondContact O-N 3.14Å; S1819-I1821 VanDerWaalsContact O-N 3.14Å; S1819-Y1822 VanDerWaalsContact O-CB 3.32Å; S1819-Y1822 WeakPolarHBondContact O-CB 3.2Å; S1819-Y1822 PolarHBondContact O-N 3.03Å; S1819-P1823 WeakPolarHBondContact O-CD 3.45Å |
| 1820 | E | 76.8 | Confident | 73.6 | Confident | 99 Ų | 99 | 59.1 Ų | 59.1 | 46% | 0.463 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -19.9 | 170.2 | -68.2 | -169.1 | -163 | 0 | 0 | 113.8 | R1762 E1816 L1818 P1823 | R1762-E1820 IonicContact CZ-OE2 2.68Å; R1762-E1820 IonicContact NE-OE2 3.16Å; R1762-E1820 PolarHBondContact NE-OE2 3.33Å; R1762-E1820 IonicContact NH2-OE2 3.93Å; R1762-E1820 PolarHBondContact NH2-OE2 3.12Å; E1816-E1820 PolarHBondContact O-N 2.99Å; L1818-E1820 VanDerWaalsContact C-N 3.26Å; L1818-E1820 PolarHBondContact O-N 3.18Å; E1820-P1823 WeakPolarHBondContact O-CD 3.47Å |
| 1821 | I | 80.1 | Confident | 73.9 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -21.5 | 178 | -51.5 | -175.4 | 0 | 0 | 0 | 110.7 | C1761 R1762 I1795 L1818 S1819 L1824 L1825 | C1761-I1821 HydrophobicContact CB-CD1 4.47Å; R1762-I1821 HydrophobicContact CB-CD1 4.25Å; R1762-I1821 HydrophobicContact CB-CG1 4.39Å; R1762-I1821 HydrophobicContact CG-CG1 4.38Å; I1795-I1821 HydrophobicContact CD1-CG2 4.24Å; L1818-I1821 HydrophobicContact CD2-CD1 4.23Å; L1818-I1821 WeakPolarHBondContact O-CB 3.47Å; L1818-I1821 PolarHBondContact O-N 3.36Å; S1819-I1821 PolarHBondContact O-N 3.14Å; S1819-I1821 VanDerWaalsContact O-N 3.14Å; I1821-L1824 WeakPolarHBondContact O-CB 3.45Å; I1821-L1824 PolarHBondContact O-N 3.03Å; I1821-L1824 VanDerWaalsContact O-N 3.12Å; I1821-L1825 HydrophobicContact CG2-CD1 4.09Å; I1821-L1825 HydrophobicContact CG2-CG 4.12Å; I1821-L1825 WeakPolarHBondContact O-CG 3.28Å; I1821-L1825 PolarHBondContact O-N 3.08Å |
| 1822 | Y | 79.7 | Confident | 74 | Confident | 74 Ų | 74 | 62.1 Ų | 62.1 | 29% | 0.29 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.5 | -45.2 | -178.3 | 177.6 | -100.6 | 0 | 0 | 0 | 114.2 | S1819 L1824 L1825 V1826 L1844 F1847 I1851 | S1819-Y1822 VanDerWaalsContact O-CB 3.32Å; S1819-Y1822 WeakPolarHBondContact O-CB 3.2Å; S1819-Y1822 PolarHBondContact O-N 3.03Å; Y1822-L1824 VanDerWaalsContact C-N 3.28Å; Y1822-L1824 PolarHBondContact O-N 3.32Å; Y1822-L1825 PolarHBondContact O-N 2.74Å; Y1822-V1826 HydrophobicContact CD1-CG2 4.27Å; Y1822-V1826 HydrophobicContact CD2-CG2 4.47Å; Y1822-V1826 HydrophobicContact CE1-CG2 3.73Å; Y1822-V1826 HydrophobicContact CE2-CG2 3.96Å; Y1822-V1826 WeakPolarHBondContact O-CG2 3.32Å; Y1822-V1826 PolarHBondContact O-N 2.81Å; Y1822-L1844 HydrophobicContact CD2-CD2 4.36Å; Y1822-L1844 HydrophobicContact CE2-CD2 3.97Å; Y1822-F1847 HydrophobicContact CD2-CB 3.58Å; Y1822-F1847 HydrophobicContact CD2-CD1 4.44Å; Y1822-F1847 HydrophobicContact CD2-CD2 4.16Å; Y1822-F1847 AromaticContact CD2-CG 3.82Å; Y1822-F1847 HydrophobicContact CD2-CG 3.82Å; Y1822-F1847 HydrophobicContact CE2-CB 4.04Å; Y1822-F1847 HydrophobicContact CG-CB 4.4Å; Y1822-F1847 HydrophobicContact CG-CG 4.42Å; Y1822-I1851 HydrophobicContact CE1-CD1 4.38Å; Y1822-I1851 HydrophobicContact CE2-CD1 4.17Å; Y1822-I1851 VanDerWaalsContact OH-CD1 3.32Å; Y1822-I1851 WeakPolarHBondContact OH-CD1 3.16Å |
| 1823 | P | 78.2 | Confident | 74.3 | Confident | 79 Ų | 79 | 58 Ų | 58 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.7 | -38.3 | 173.6 | -26.6 | 35.5 | 0 | 0 | 0 | 113.8 | S1819 E1820 V1826 D1827 | S1819-P1823 WeakPolarHBondContact O-CD 3.45Å; E1820-P1823 WeakPolarHBondContact O-CD 3.47Å; P1823-V1826 PolarHBondContact O-N 3.44Å; P1823-D1827 PolarHBondContact O-N 3.14Å |
| 1824 | L | 79.5 | Confident | 74.6 | Confident | 47 Ų | 47 | 59.2 Ų | 59.2 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.2 | -39.1 | 178.8 | -55.9 | 171.4 | 0 | 0 | 0 | 111.1 | R1762 V1765 A1766 I1821 Y1822 V1826 D1827 C1828 | R1762-L1824 HydrophobicContact CG-CD1 3.92Å; V1765-L1824 HydrophobicContact CG1-CB 3.73Å; A1766-L1824 HydrophobicContact CB-CD1 4.14Å; A1766-L1824 HydrophobicContact CB-CD2 4.32Å; I1821-L1824 WeakPolarHBondContact O-CB 3.45Å; I1821-L1824 PolarHBondContact O-N 3.03Å; I1821-L1824 VanDerWaalsContact O-N 3.12Å; Y1822-L1824 VanDerWaalsContact C-N 3.28Å; Y1822-L1824 PolarHBondContact O-N 3.32Å; L1824-V1826 VanDerWaalsContact C-N 3.31Å; L1824-V1826 PolarHBondContact O-N 2.84Å; L1824-D1827 PolarHBondContact O-N 3.45Å; L1824-C1828 PolarHBondContact O-N 2.95Å; L1824-C1828 PolarHBondContact O-SG 2.98Å; L1824-C1828 VanDerWaalsContact O-SG 3.4Å |
| 1825 | L | 78.6 | Confident | 74.9 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.5 | -31.7 | 173.7 | -68 | 166.1 | 0 | 0 | 0 | 112.7 | V1765 F1792 I1795 I1821 Y1822 C1828 L1840 L1844 F1847 | V1765-L1825 HydrophobicContact CG1-CD2 3.92Å; V1765-L1825 HydrophobicContact CG1-CG 4.23Å; V1765-L1825 HydrophobicContact CG2-CD2 4.26Å; F1792-L1825 HydrophobicContact CD1-CD2 3.76Å; F1792-L1825 HydrophobicContact CE1-CD2 3.46Å; F1792-L1825 VanDerWaalsContact CE1-CD2 3.46Å; F1792-L1825 HydrophobicContact CZ-CD2 4.37Å; I1795-L1825 HydrophobicContact CD1-CD2 4.35Å; I1795-L1825 HydrophobicContact CG2-CD1 4.5Å; I1821-L1825 HydrophobicContact CG2-CD1 4.09Å; I1821-L1825 HydrophobicContact CG2-CG 4.12Å; I1821-L1825 WeakPolarHBondContact O-CG 3.28Å; I1821-L1825 PolarHBondContact O-N 3.08Å; Y1822-L1825 PolarHBondContact O-N 2.74Å; L1825-C1828 WeakPolarHBondContact O-CB 3.45Å; L1825-C1828 PolarHBondContact O-N 3.46Å; L1825-L1840 HydrophobicContact CB-CD1 4.34Å; L1825-L1840 HydrophobicContact CD2-CD1 3.95Å; L1825-L1844 HydrophobicContact CB-CD2 3.88Å; L1825-F1847 HydrophobicContact CD1-CD2 4.06Å; L1825-F1847 HydrophobicContact CD1-CE2 3.54Å; L1825-F1847 HydrophobicContact CD1-CZ 4.36Å |
| 1826 | V | 77.9 | Confident | 75.1 | Confident | 63 Ų | 63 | 62.6 Ų | 62.6 | 38% | 0.382 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68 | -37.2 | 174.1 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | Y1822 P1823 L1824 C1828 V1829 L1844 | Y1822-V1826 HydrophobicContact CD1-CG2 4.27Å; Y1822-V1826 HydrophobicContact CD2-CG2 4.47Å; Y1822-V1826 HydrophobicContact CE1-CG2 3.73Å; Y1822-V1826 HydrophobicContact CE2-CG2 3.96Å; Y1822-V1826 WeakPolarHBondContact O-CG2 3.32Å; Y1822-V1826 PolarHBondContact O-N 2.81Å; P1823-V1826 PolarHBondContact O-N 3.44Å; L1824-V1826 VanDerWaalsContact C-N 3.31Å; L1824-V1826 PolarHBondContact O-N 2.84Å; V1826-C1828 VanDerWaalsContact C-N 3.29Å; V1826-C1828 PolarHBondContact O-N 2.68Å; V1826-V1829 VanDerWaalsContact O-CB 3.29Å; V1826-V1829 WeakPolarHBondContact O-CB 3.43Å; V1826-V1829 VanDerWaalsContact O-CG2 3.29Å; V1826-V1829 WeakPolarHBondContact O-CG2 3.26Å; V1826-V1829 PolarHBondContact O-N 3.11Å; V1826-L1844 HydrophobicContact CG2-CD2 4.43Å |
| 1827 | D | 73.8 | Confident | 75.4 | Confident | 68 Ų | 68 | 60.6 Ų | 60.6 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.5 | -30.8 | 174.3 | -105.1 | -36.2 | 0 | 0 | 0 | 112.8 | P1769 P1823 L1824 V1829 K1830 | P1769-D1827 HydrophobicContact CG-CB 4.21Å; P1823-D1827 PolarHBondContact O-N 3.14Å; L1824-D1827 PolarHBondContact O-N 3.45Å; D1827-V1829 PolarHBondContact O-N 3.47Å; D1827-K1830 PolarHBondContact O-N 3.34Å; D1827-K1830 IonicContact OD1-NZ 3.31Å; D1827-K1830 PolarHBondContact OD1-NZ 3.18Å |
| 1828 | C | 74.1 | Confident | 75.8 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -64 | -13.7 | 172.8 | -64.1 | 0 | 0 | 0 | 0 | 114.3 | Y1768 F1792 L1824 L1825 V1826 K1830 C1831 L1840 | Y1768-C1828 HydrophobicContact CD1-CB 4.11Å; Y1768-C1828 VanDerWaalsContact CD1-SG 3.53Å; Y1768-C1828 HydrophobicContact CE1-CB 4.34Å; F1792-C1828 HydrophobicContact CZ-CB 4.31Å; L1824-C1828 PolarHBondContact O-N 2.95Å; L1824-C1828 PolarHBondContact O-SG 2.98Å; L1824-C1828 VanDerWaalsContact O-SG 3.4Å; L1825-C1828 WeakPolarHBondContact O-CB 3.45Å; L1825-C1828 PolarHBondContact O-N 3.46Å; V1826-C1828 VanDerWaalsContact C-N 3.29Å; V1826-C1828 PolarHBondContact O-N 2.68Å; C1828-K1830 PolarHBondContact O-N 3.19Å; C1828-K1830 VanDerWaalsContact O-N 3.12Å; C1828-C1831 WeakPolarHBondContact O-CB 2.97Å; C1828-C1831 PolarHBondContact O-N 3.12Å; C1828-C1831 VanDerWaalsContact O-N 3.09Å; C1828-L1840 HydrophobicContact CB-CD1 4.3Å; C1828-L1840 HydrophobicContact CB-CD2 3.87Å |
| 1829 | V | 73 | Confident | 76.1 | Confident | 88 Ų | 88 | 64 Ų | 64 | 53% | 0.533 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -62.7 | -19.2 | 178.9 | 176.4 | 0 | 0 | 0 | 0 | 112.6 | V1826 D1827 C1831 L1840 L1844 | V1826-V1829 VanDerWaalsContact O-CB 3.29Å; V1826-V1829 WeakPolarHBondContact O-CB 3.43Å; V1826-V1829 VanDerWaalsContact O-CG2 3.29Å; V1826-V1829 WeakPolarHBondContact O-CG2 3.26Å; V1826-V1829 PolarHBondContact O-N 3.11Å; D1827-V1829 PolarHBondContact O-N 3.47Å; V1829-C1831 PolarHBondContact O-N 3.12Å; V1829-L1840 HydrophobicContact CG2-CD2 4.17Å; V1829-L1844 HydrophobicContact CG2-CD1 3.67Å |
| 1830 | K | 68.3 | Low | 76.6 | Confident | 148 Ų | 148 | 62.1 Ų | 62.1 | 64% | 0.643 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -74.4 | -7.8 | 177 | -65.4 | 159.3 | -171.2 | 159.7 | 0 | 113.9 | D1827 C1828 | D1827-K1830 PolarHBondContact O-N 3.34Å; D1827-K1830 IonicContact OD1-NZ 3.31Å; D1827-K1830 PolarHBondContact OD1-NZ 3.18Å; C1828-K1830 PolarHBondContact O-N 3.19Å; C1828-K1830 VanDerWaalsContact O-N 3.12Å |
| 1831 | C | 70 | Confident | 76.8 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | trans | -47 | 134.7 | -179.2 | 176.2 | 0 | 0 | 0 | 0 | 114.1 | Y1768 E1772 C1828 V1829 T1833 K1837 | Y1768-C1831 HydrophobicContact CE1-CB 4.23Å; Y1768-C1831 WeakPolarHBondContact OH-CB 3.12Å; Y1768-C1831 PolarHBondContact OH-SG 3.22Å; E1772-C1831 WeakPolarHBondContact OE1-CA 3.38Å; E1772-C1831 WeakPolarHBondContact OE2-CA 3.19Å; C1828-C1831 WeakPolarHBondContact O-CB 2.97Å; C1828-C1831 PolarHBondContact O-N 3.12Å; C1828-C1831 VanDerWaalsContact O-N 3.09Å; V1829-C1831 PolarHBondContact O-N 3.12Å; C1831-T1833 PolarHBondContact SG-N 3.09Å; C1831-T1833 PolarHBondContact SG-O 3.18Å; C1831-T1833 VanDerWaalsContact SG-O 3.41Å; C1831-K1837 HydrophobicContact CB-CG 4.42Å; C1831-K1837 WeakPolarHBondContact O-CE 3.29Å | ||
| 1832 | K | 68.7 | Low | 76.8 | Confident | 145 Ų | 145 | 64 Ų | 64 | 63% | 0.63 | 32% | 0.32 | S | S | * | . | trans | -87.7 | -20.6 | 171.9 | -68.4 | -179.6 | 179.9 | 175.2 | 0 | 114.7 | E1772 | E1772-K1832 PolarHBondContact OE1-N 2.88Š| ||
| 1833 | T | 75.3 | Confident | 76.8 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 15% | 0.153 | 31% | 0.306 | C | S | . | . | trans | -85.8 | 116.7 | -171.7 | -53.1 | 0 | 0 | 0 | 0 | 112.6 | T1785 C1831 E1835 V1836 K1837 | T1785-T1833 HydrophobicContact CG2-CG2 4.11Å; C1831-T1833 PolarHBondContact SG-N 3.09Å; C1831-T1833 PolarHBondContact SG-O 3.18Å; C1831-T1833 VanDerWaalsContact SG-O 3.41Å; T1833-E1835 VanDerWaalsContact C-N 3.31Å; T1833-E1835 PolarHBondContact O-N 3.46Å; T1833-V1836 HydrophobicContact CG2-CG2 3.98Å; T1833-V1836 PolarHBondContact O-N 3.4Å; T1833-K1837 PolarHBondContact O-N 3.43Å | ||
| 1834 | E | 76.6 | Confident | 76.9 | Confident | 97 Ų | 97 | 58.6 Ų | 58.6 | 45% | 0.453 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.8 | -27.7 | -174.2 | -73.7 | -57.8 | 137.3 | 0 | 0 | 115.5 | K1837 R1838 | E1834-K1837 WeakPolarHBondContact OE1-CD 3.29Å; E1834-K1837 WeakPolarHBondContact OE1-CE 2.87Å; E1834-K1837 IonicContact OE1-NZ 3.21Å; E1834-K1837 PolarHBondContact OE1-NZ 3.32Å; E1834-R1838 WeakPolarHBondContact O-CB 3.11Å; E1834-R1838 WeakPolarHBondContact O-CG 3.48Å; E1834-R1838 PolarHBondContact O-N 3.26Å; E1834-R1838 PolarHBondContact O-NE 3.48Å |
| 1835 | E | 76.2 | Confident | 76.8 | Confident | 108 Ų | 108 | 63.4 Ų | 63.4 | 51% | 0.505 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.2 | -43 | 176.9 | -59.6 | -171.7 | 146.3 | 0 | 0 | 111.4 | T1785 T1833 R1838 A1839 | T1785-E1835 HydrophobicContact CG2-CB 3.98Å; T1833-E1835 VanDerWaalsContact C-N 3.31Å; T1833-E1835 PolarHBondContact O-N 3.46Å; E1835-R1838 PolarHBondContact O-N 3.4Å; E1835-A1839 PolarHBondContact O-N 2.75Å; E1835-A1839 VanDerWaalsContact O-N 3.11Å |
| 1836 | V | 77.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 173.5 | -179 | 0 | 0 | 0 | 0 | 110.3 | T1785 L1788 F1792 T1833 R1838 A1839 L1840 | T1785-V1836 HydrophobicContact CG2-CG2 3.93Å; L1788-V1836 HydrophobicContact CB-CG1 4.42Å; L1788-V1836 HydrophobicContact CB-CG2 4.4Å; L1788-V1836 HydrophobicContact CD1-CG1 4.4Å; L1788-V1836 HydrophobicContact CD1-CG2 4.13Å; F1792-V1836 HydrophobicContact CE2-CG1 3.65Å; F1792-V1836 HydrophobicContact CZ-CG1 4.35Å; T1833-V1836 HydrophobicContact CG2-CG2 3.98Å; T1833-V1836 PolarHBondContact O-N 3.4Å; V1836-R1838 PolarHBondContact O-N 2.92Å; V1836-A1839 PolarHBondContact O-N 3.27Å; V1836-L1840 WeakPolarHBondContact O-CB 3.43Å; V1836-L1840 PolarHBondContact O-N 3.17Å |
| 1837 | K | 79.3 | Confident | 76.5 | Confident | 74 Ų | 74 | 61.5 Ų | 61.5 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.7 | -46.4 | 172.5 | -69.5 | -176 | -168 | 167.5 | 0 | 112.8 | C1831 T1833 E1834 A1839 L1840 V1841 | C1831-K1837 HydrophobicContact CB-CG 4.42Å; C1831-K1837 WeakPolarHBondContact O-CE 3.29Å; T1833-K1837 PolarHBondContact O-N 3.43Å; E1834-K1837 WeakPolarHBondContact OE1-CD 3.29Å; E1834-K1837 WeakPolarHBondContact OE1-CE 2.87Å; E1834-K1837 IonicContact OE1-NZ 3.21Å; E1834-K1837 PolarHBondContact OE1-NZ 3.32Å; K1837-A1839 VanDerWaalsContact C-N 3.27Å; K1837-A1839 PolarHBondContact O-N 3.29Å; K1837-L1840 PolarHBondContact O-N 3.27Å; K1837-V1841 PolarHBondContact O-N 3.25Å; K1837-V1841 VanDerWaalsContact O-N 3.11Å |
| 1838 | R | 81.8 | Confident | 76.1 | Confident | 159 Ų | 159 | 64.6 Ų | 64.6 | 60% | 0.6 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.4 | -35.6 | 179.7 | -83.6 | -178 | -108.6 | 135.9 | -3.6 | 112.3 | E1834 E1835 V1836 P1842 | E1834-R1838 WeakPolarHBondContact O-CB 3.11Å; E1834-R1838 WeakPolarHBondContact O-CG 3.48Å; E1834-R1838 PolarHBondContact O-N 3.26Å; E1834-R1838 PolarHBondContact O-NE 3.48Å; E1835-R1838 PolarHBondContact O-N 3.4Å; V1836-R1838 PolarHBondContact O-N 2.92Å; R1838-P1842 WeakPolarHBondContact O-CD 3.33Å |
| 1839 | A | 80.1 | Confident | 75.2 | Confident | 17 Ų | 17 | 69.8 Ų | 69.8 | 14% | 0.14 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -80 | -30.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V1789 F1792 E1835 V1836 K1837 P1842 | V1789-A1839 HydrophobicContact CB-CB 4.17Å; V1789-A1839 HydrophobicContact CG1-CB 4.07Å; V1789-A1839 HydrophobicContact CG2-CB 3.85Å; F1792-A1839 HydrophobicContact CB-CB 4.13Å; F1792-A1839 HydrophobicContact CD2-CB 3.94Å; E1835-A1839 PolarHBondContact O-N 2.75Å; E1835-A1839 VanDerWaalsContact O-N 3.11Å; V1836-A1839 PolarHBondContact O-N 3.27Å; K1837-A1839 VanDerWaalsContact C-N 3.27Å; K1837-A1839 PolarHBondContact O-N 3.29Å; A1839-P1842 WeakPolarHBondContact O-CD 3.46Å |
| 1840 | L | 82.5 | Confident | 74.7 | Confident | 7 Ų | 7 | 71.1 Ų | 71.1 | 4% | 0.037 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.1 | -33.4 | 177.5 | -176.2 | 60.5 | 0 | 0 | 0 | 112.8 | F1792 L1825 C1828 V1829 V1836 K1837 C1843 L1844 | F1792-L1840 HydrophobicContact CD2-CB 4.02Å; F1792-L1840 HydrophobicContact CD2-CD1 4.44Å; F1792-L1840 HydrophobicContact CE1-CD1 4.2Å; F1792-L1840 HydrophobicContact CE2-CB 3.76Å; F1792-L1840 HydrophobicContact CE2-CD1 3.98Å; F1792-L1840 HydrophobicContact CE2-CG 4.36Å; F1792-L1840 HydrophobicContact CZ-CB 4.47Å; F1792-L1840 HydrophobicContact CZ-CD1 3.85Å; L1825-L1840 HydrophobicContact CB-CD1 4.34Å; L1825-L1840 HydrophobicContact CD2-CD1 3.95Å; C1828-L1840 HydrophobicContact CB-CD1 4.3Å; C1828-L1840 HydrophobicContact CB-CD2 3.87Å; V1829-L1840 HydrophobicContact CG2-CD2 4.17Å; V1836-L1840 WeakPolarHBondContact O-CB 3.43Å; V1836-L1840 PolarHBondContact O-N 3.17Å; K1837-L1840 PolarHBondContact O-N 3.27Å; L1840-C1843 WeakPolarHBondContact O-CB 3.45Å; L1840-C1843 PolarHBondContact O-N 3.05Å; L1840-L1844 HydrophobicContact CD1-CD1 4.14Å; L1840-L1844 HydrophobicContact CD1-CD2 4.47Å; L1840-L1844 HydrophobicContact CD1-CG 3.96Å; L1840-L1844 HydrophobicContact CD2-CD1 4.23Å; L1840-L1844 HydrophobicContact CG-CD1 3.79Å; L1840-L1844 HydrophobicContact CG-CG 4.1Å; L1840-L1844 PolarHBondContact O-N 2.94Å |
| 1841 | V | 82.4 | Confident | 74.1 | Confident | 77 Ų | 77 | 68.4 Ų | 68.4 | 47% | 0.467 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.4 | -47.2 | -178.2 | 167 | 0 | 0 | 0 | 0 | 113.4 | K1837 C1843 K1845 | K1837-V1841 PolarHBondContact O-N 3.25Å; K1837-V1841 VanDerWaalsContact O-N 3.11Å; V1841-C1843 VanDerWaalsContact C-N 3.34Å; V1841-K1845 HydrophobicContact CG1-CD 4.36Å; V1841-K1845 WeakPolarHBondContact O-CG 3.3Å; V1841-K1845 PolarHBondContact O-N 2.88Å; V1841-K1845 VanDerWaalsContact O-N 3.14Å |
| 1842 | P | 78.5 | Confident | 73 | Confident | 63 Ų | 63 | 76.6 Ų | 76.6 | 41% | 0.409 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.1 | -42.8 | 168.6 | -27.3 | 35.5 | 0 | 0 | 0 | 113.2 | V1796 R1838 A1839 L1844 K1845 A1846 | V1796-P1842 HydrophobicContact CG2-CB 4.04Å; R1838-P1842 WeakPolarHBondContact O-CD 3.33Å; A1839-P1842 WeakPolarHBondContact O-CD 3.46Å; P1842-L1844 PolarHBondContact O-N 3.03Å; P1842-K1845 WeakPolarHBondContact O-CB 3.5Å; P1842-K1845 PolarHBondContact O-N 2.65Å; P1842-K1845 VanDerWaalsContact O-N 3.15Å; P1842-A1846 PolarHBondContact O-N 3.45Å |
| 1843 | C | 81 | Confident | 71.7 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.3 | -49.6 | -179.7 | -166.4 | 0 | 0 | 0 | 0 | 112.1 | F1792 V1796 L1840 V1841 K1845 A1846 F1847 | F1792-C1843 HydrophobicContact CB-CB 4.24Å; V1796-C1843 VanDerWaalsContact CG2-CA 3.48Å; V1796-C1843 HydrophobicContact CG2-CB 4.04Å; L1840-C1843 WeakPolarHBondContact O-CB 3.45Å; L1840-C1843 PolarHBondContact O-N 3.05Å; V1841-C1843 VanDerWaalsContact C-N 3.34Å; C1843-K1845 VanDerWaalsContact C-N 3.31Å; C1843-K1845 PolarHBondContact O-N 3.41Å; C1843-A1846 WeakPolarHBondContact O-CB 3.45Å; C1843-A1846 PolarHBondContact O-N 2.98Å; C1843-F1847 WeakPolarHBondContact O-CD2 3.42Å |
| 1844 | L | 79 | Confident | 69.8 | Low | 41 Ų | 41 | 83.6 Ų | 83.6 | 22% | 0.215 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.9 | -30.9 | 175.9 | -68.2 | 172.2 | 0 | 0 | 0 | 113 | Y1822 L1825 V1826 V1829 L1840 P1842 F1847 | Y1822-L1844 HydrophobicContact CD2-CD2 4.36Å; Y1822-L1844 HydrophobicContact CE2-CD2 3.97Å; L1825-L1844 HydrophobicContact CB-CD2 3.88Å; V1826-L1844 HydrophobicContact CG2-CD2 4.43Å; V1829-L1844 HydrophobicContact CG2-CD1 3.67Å; L1840-L1844 HydrophobicContact CD1-CD1 4.14Å; L1840-L1844 HydrophobicContact CD1-CD2 4.47Å; L1840-L1844 HydrophobicContact CD1-CG 3.96Å; L1840-L1844 HydrophobicContact CD2-CD1 4.23Å; L1840-L1844 HydrophobicContact CG-CD1 3.79Å; L1840-L1844 HydrophobicContact CG-CG 4.1Å; L1840-L1844 PolarHBondContact O-N 2.94Å; P1842-L1844 PolarHBondContact O-N 3.03Å; L1844-F1847 PolarHBondContact O-N 2.95Å |
| 1845 | K | 78.7 | Confident | 67.8 | Low | 148 Ų | 148 | 83.3 Ų | 83.3 | 64% | 0.643 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -67.5 | -34.8 | 174 | -78.6 | 175.9 | 176.9 | -177.2 | 0 | 112.7 | V1841 P1842 C1843 F1847 H1848 | V1841-K1845 HydrophobicContact CG1-CD 4.36Å; V1841-K1845 WeakPolarHBondContact O-CG 3.3Å; V1841-K1845 PolarHBondContact O-N 2.88Å; V1841-K1845 VanDerWaalsContact O-N 3.14Å; P1842-K1845 WeakPolarHBondContact O-CB 3.5Å; P1842-K1845 PolarHBondContact O-N 2.65Å; P1842-K1845 VanDerWaalsContact O-N 3.15Å; C1843-K1845 VanDerWaalsContact C-N 3.31Å; C1843-K1845 PolarHBondContact O-N 3.41Å; K1845-F1847 VanDerWaalsContact C-N 3.26Å; K1845-F1847 PolarHBondContact O-N 3.17Å; K1845-H1848 WeakPolarHBondContact O-CB 3.39Å; K1845-H1848 PolarHBondContact O-N 3.26Å; K1845-H1848 VanDerWaalsContact O-N 3.13Å |
| 1846 | A | 74.4 | Confident | 65.8 | Low | 20 Ų | 20 | 82.5 Ų | 82.5 | 17% | 0.165 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.7 | -35.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1799 P1842 C1843 | V1799-A1846 HydrophobicContact CB-CB 4.21Å; V1799-A1846 HydrophobicContact CG1-CB 3.9Å; P1842-A1846 PolarHBondContact O-N 3.45Å; C1843-A1846 WeakPolarHBondContact O-CB 3.45Å; C1843-A1846 PolarHBondContact O-N 2.98Å |
| 1847 | F | 74.6 | Confident | 63.7 | Low | 3 Ų | 3 | 91 Ų | 91 | 1% | 0.013 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -5.3 | 176.9 | -72.8 | -80.4 | 0 | 0 | 0 | 115.2 | I1795 V1799 L1818 Y1822 L1825 C1843 L1844 K1845 I1849 F1850 | I1795-F1847 HydrophobicContact CG2-CE2 3.78Å; I1795-F1847 HydrophobicContact CG2-CZ 4.12Å; V1799-F1847 HydrophobicContact CG2-CE1 4.25Å; V1799-F1847 HydrophobicContact CG2-CE2 4.21Å; V1799-F1847 HydrophobicContact CG2-CZ 3.85Å; L1818-F1847 HydrophobicContact CD2-CZ 4.37Å; L1818-F1847 WeakPolarHBondContact O-CE1 3.2Å; L1818-F1847 WeakPolarHBondContact O-CZ 3.48Å; Y1822-F1847 HydrophobicContact CD2-CB 3.58Å; Y1822-F1847 HydrophobicContact CD2-CD1 4.44Å; Y1822-F1847 HydrophobicContact CD2-CD2 4.16Å; Y1822-F1847 AromaticContact CD2-CG 3.82Å; Y1822-F1847 HydrophobicContact CD2-CG 3.82Å; Y1822-F1847 HydrophobicContact CE2-CB 4.04Å; Y1822-F1847 HydrophobicContact CG-CB 4.4Å; Y1822-F1847 HydrophobicContact CG-CG 4.42Å; L1825-F1847 HydrophobicContact CD1-CD2 4.06Å; L1825-F1847 HydrophobicContact CD1-CE2 3.54Å; L1825-F1847 HydrophobicContact CD1-CZ 4.36Å; C1843-F1847 WeakPolarHBondContact O-CD2 3.42Å; L1844-F1847 PolarHBondContact O-N 2.95Å; K1845-F1847 VanDerWaalsContact C-N 3.26Å; K1845-F1847 PolarHBondContact O-N 3.17Å; F1847-I1849 PolarHBondContact O-N 2.91Å; F1847-F1850 AromaticContact CD1-CD2 3.98Å; F1847-F1850 HydrophobicContact CD1-CD2 3.98Å; F1847-F1850 HydrophobicContact CD1-CE2 4.14Å; F1847-F1850 PolarHBondContact O-N 3.08Å; F1847-F1850 VanDerWaalsContact O-N 3.12Å |
| 1848 | H | 65.2 | Low | 61.8 | Low | 133 Ų | 133 | 92.7 Ų | 92.7 | 62% | 0.616 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -60.1 | -22.7 | -166.8 | -173.2 | 52.4 | 0 | 0 | 0 | 115.1 | K1845 | K1845-H1848 WeakPolarHBondContact O-CB 3.39Å; K1845-H1848 PolarHBondContact O-N 3.26Å; K1845-H1848 VanDerWaalsContact O-N 3.13Å |
| 1849 | I | 57.1 | Low | 59.6 | Low | 109 Ų | 109 | 89 Ų | 89 | 56% | 0.559 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -74.8 | -33.7 | -179.5 | -62.5 | 177.3 | 0 | 0 | 0 | 112.1 | F1847 I1851 K1852 | F1847-I1849 PolarHBondContact O-N 2.91Å; I1849-I1851 PolarHBondContact O-N 3.46Å; I1849-K1852 PolarHBondContact O-N 3.13Å |
| 1850 | F | 60.6 | Low | 57.5 | Low | 116 Ų | 116 | 96.2 Ų | 96.2 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -64.9 | -10.4 | 179.2 | -66.2 | -79.6 | 0 | 0 | 0 | 113.9 | L1815 F1847 | L1815-F1850 HydrophobicContact CB-CZ 4.45Å; F1847-F1850 AromaticContact CD1-CD2 3.98Å; F1847-F1850 HydrophobicContact CD1-CD2 3.98Å; F1847-F1850 HydrophobicContact CD1-CE2 4.14Å; F1847-F1850 PolarHBondContact O-N 3.08Å; F1847-F1850 VanDerWaalsContact O-N 3.12Å |
| 1851 | I | 56.5 | Low | 55.1 | Low | 91 Ų | 91 | 99 Ų | 99 | 47% | 0.467 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -94 | -9.4 | -173.6 | -53.8 | 172.1 | 0 | 0 | 0 | 111.7 | Y1822 I1849 | Y1822-I1851 HydrophobicContact CE1-CD1 4.38Å; Y1822-I1851 HydrophobicContact CE2-CD1 4.17Å; Y1822-I1851 VanDerWaalsContact OH-CD1 3.32Å; Y1822-I1851 WeakPolarHBondContact OH-CD1 3.16Å; I1849-I1851 PolarHBondContact O-N 3.46Å |
| 1852 | K | 48.1 | Very low | 53 | Low | 176 Ų | 176 | 104.4 Ų | 104.4 | 77% | 0.765 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -90 | 125.3 | 174.6 | -98.6 | -173.5 | 173.3 | -177.1 | 0 | 111.2 | I1849 M1854 | I1849-K1852 PolarHBondContact O-N 3.13Å; K1852-M1854 PolarHBondContact O-N 2.96Å |
| 1853 | P | 40.3 | Very low | 50.9 | Low | 119 Ų | 119 | 113.2 Ų | 113.2 | 77% | 0.773 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 125.1 | 171.8 | 28.5 | -33.1 | 0 | 0 | 0 | 110.2 | A1855 | P1853-A1855 PolarHBondContact O-N 3.25Š|
| 1854 | M | 34.8 | Very low | 49.4 | Very low | 198 Ų | 198 | 118.9 Ų | 118.9 | 98% | 0.975 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 116.1 | 166.6 | -83.1 | -175.8 | -86.6 | 0 | 0 | 109.1 | K1852 | K1852-M1854 PolarHBondContact O-N 2.96Š|
| 1855 | A | 34.6 | Very low | 47.8 | Very low | 90 Ų | 90 | 122.9 Ų | 122.9 | 74% | 0.744 | 68% | 0.683 | S | S | * | * | trans | -115.4 | 121.5 | -178 | 0 | 0 | 0 | 0 | 0 | 110.9 | P1853 | P1853-A1855 PolarHBondContact O-N 3.25Š| ||
| 1856 | A | 36 | Very low | 46.1 | Very low | 92 Ų | 92 | 121.6 Ų | 121.6 | 76% | 0.76 | 69% | 0.685 | S | S | * | * | trans | 72.4 | 139.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1857 | Q | 32.4 | Very low | 44.4 | Very low | 179 Ų | 179 | 127.5 Ų | 127.5 | 84% | 0.836 | 72% | 0.715 | S | S | * | * | cis | -173.6 | 172.7 | -11 | -110.2 | -177.9 | -4.7 | 0 | 0 | 107.4 | ||||
| 1858 | P | 39.8 | Very low | 42.5 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | cis | -134.3 | -176.5 | -34.5 | 39.3 | -23.1 | 0 | 0 | 0 | 113.6 | ||||
| 1859 | A | 35.7 | Very low | 41 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | 69.4 | 140.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1860 | D | 34.8 | Very low | 39.9 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | cis | -162.3 | 159.4 | -14.3 | -106.2 | -27.9 | 0 | 0 | 0 | 109.8 | ||||
| 1861 | G | 33.5 | Very low | 38.3 | Very low | 67 Ų | 67 | 139 Ų | 139 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | 125 | 66.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1862 | H | 37.8 | Very low | 36.8 | Very low | 189 Ų | 189 | 143 Ų | 143 | 88% | 0.875 | 83% | 0.833 | S | S | * | * | trans | 67.2 | 127.5 | 152.1 | -72.8 | -76.4 | 0 | 0 | 0 | 122.8 | ||||
| 1863 | L | 33.5 | Very low | 35.7 | Very low | 248 Ų | 248 | 140 Ų | 140 | 100% | 1.298 | 84% | 0.839 | S | S | * | * | trans | 70.2 | 0 | 162.2 | -80.6 | 159.6 | 0 | 0 | 0 | 116.9 |
Retrieved 1,863 of 1,863 residues in 2357.5 ms
(Link to these results)