| 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 | 30.6 | Very low | 77.4 | Confident | 145 Ų | 145 | 44.8 Ų | 44.8 | 71% | 0.714 | 25% | 0.254 | S | S | * | . | 0 | -5.7 | 0 | -76.6 | 172.4 | 165.3 | 0 | 0 | 114.2 | N3 I4 I247 | M1-N3 PolarHBondContact O-N 3.08Å; M1-I4 HydrophobicContact CB-CD1 4.44Å; M1-I4 PolarHBondContact O-N 3.01Å; M1-I247 HydrophobicContact CE-CG2 4.17Å | |||
| 2 | S | 39.1 | Very low | 79 | Confident | 127 Ų | 127 | 41.5 Ų | 41.5 | 89% | 0.888 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | 28.2 | -170.1 | 47.3 | 0 | 0 | 0 | 0 | 118.3 | ||
| 3 | N | 59.7 | Low | 80.2 | Confident | 116 Ų | 116 | 38.5 Ų | 38.5 | 62% | 0.62 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | 4.7 | 176.1 | -108.5 | -44.6 | 0 | 0 | 0 | 113.5 | M1 K94 | M1-N3 PolarHBondContact O-N 3.08Å; N3-K94 WeakPolarHBondContact OD1-CE 3.37Å; N3-K94 PolarHBondContact OD1-NZ 3.47Å |
| 4 | I | 75.4 | Confident | 81.2 | Confident | 50 Ų | 50 | 36.5 Ų | 36.5 | 26% | 0.256 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -88.9 | 134.1 | 178.2 | -59.9 | 172.6 | 0 | 0 | 0 | 108.1 | M1 Y176 P248 L709 | M1-I4 HydrophobicContact CB-CD1 4.44Å; M1-I4 PolarHBondContact O-N 3.01Å; I4-Y176 WeakPolarHBondContact CG2-OH 3.3Å; I4-P248 HydrophobicContact CD1-CG 3.92Å; I4-L709 HydrophobicContact CB-CD1 4.26Å; I4-L709 HydrophobicContact CG2-CD1 4.19Å; I4-L709 HydrophobicContact CG2-CD2 3.93Å |
| 5 | C | 86.9 | Confident | 82 | Confident | 13 Ų | 13 | 34.1 Ų | 34.1 | 9% | 0.088 | 19% | 0.192 | C | C | . | . | trans | -81.8 | 124.4 | 177.5 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | R7 H175 Y176 A245 | C5-R7 PolarHBondContact O-N 2.87Å; C5-H175 HydrophobicContact CB-CB 4.28Å; C5-H175 PolarHBondContact SG-NE2 2.93Å; C5-H175 VanDerWaalsContact SG-NE2 3.43Å; C5-Y176 PolarHBondContact N-OH 3.48Å; C5-Y176 PolarHBondContact O-OH 2.65Å; C5-A245 VanDerWaalsContact O-CB 3.29Å; C5-A245 WeakPolarHBondContact O-CB 3.03Å | ||
| 6 | P | 89.2 | Confident | 82.5 | Confident | 24 Ų | 24 | 31.9 Ų | 31.9 | 16% | 0.156 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -64 | -23.9 | 178.7 | 25.8 | -36.3 | 0 | 0 | 0 | 114 | A245 P706 E708 | P6-A245 WeakPolarHBondContact O-CB 3.32Å; P6-A245 PolarHBondContact O-N 2.95Å; P6-P706 HydrophobicContact CB-CB 4.21Å; P6-P706 WeakPolarHBondContact CB-O 3.38Å; P6-P706 WeakPolarHBondContact CG-O 3.28Å; P6-E708 WeakPolarHBondContact CB-O 3.39Å |
| 7 | R | 91.8 | Very high | 82.6 | Confident | 18 Ų | 18 | 30.8 Ų | 30.8 | 7% | 0.068 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -82.4 | 125.7 | 179 | -49.4 | 179.5 | -62.8 | -101.9 | -0.4 | 111 | C5 I9 D10 D42 H175 Y176 | C5-R7 PolarHBondContact O-N 2.87Å; R7-I9 VanDerWaalsContact C-N 3.33Å; R7-D10 IonicContact CZ-OD1 3.04Å; R7-D10 IonicContact NE-OD1 2.74Å; R7-D10 PolarHBondContact NE-OD1 3.18Å; R7-D10 VanDerWaalsContact NE-OD1 3.1Å; R7-D10 IonicContact NH2-OD1 2.72Å; R7-D10 PolarHBondContact NH2-OD1 2.91Å; R7-D42 IonicContact CZ-OD1 3.62Å; R7-D42 IonicContact CZ-OD2 3.84Å; R7-D42 IonicContact NH1-OD1 2.77Å; R7-D42 PolarHBondContact NH1-OD1 3.23Å; R7-D42 IonicContact NH1-OD2 3.35Å; R7-D42 IonicContact NH2-OD1 3.3Å; R7-D42 PolarHBondContact NH2-OD1 3.29Å; R7-D42 IonicContact NH2-OD2 3.18Å; R7-D42 PolarHBondContact NH2-OD2 3.4Å; R7-H175 PolarHBondContact NH2-NE2 3.34Å; R7-Y176 WeakPolarHBondContact O-CE2 3Å |
| 8 | L | 94 | Very high | 82.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -69.1 | -32.7 | 174.8 | -177.2 | 61.7 | 0 | 0 | 0 | 112.6 | T174 Y176 F178 F182 A243 F268 | L8-T174 PolarHBondContact O-OG1 2.68Å; L8-Y176 HydrophobicContact CD1-CD2 4.28Å; L8-F178 HydrophobicContact CD1-CE2 4.32Å; L8-F182 HydrophobicContact CD1-CE1 4.5Å; L8-F182 HydrophobicContact CD1-CZ 3.97Å; L8-F182 HydrophobicContact CG-CE1 4.24Å; L8-F182 HydrophobicContact CG-CZ 4.1Å; L8-A243 HydrophobicContact CB-CB 4.39Å; L8-A243 VanDerWaalsContact CB-O 3.28Å; L8-A243 WeakPolarHBondContact CB-O 3.4Å; L8-A243 HydrophobicContact CD2-CB 4.13Å; L8-A243 PolarHBondContact N-O 3.49Å; L8-A243 VanDerWaalsContact N-O 3.17Å; L8-F268 HydrophobicContact CD1-CB 4.23Å; L8-F268 HydrophobicContact CD1-CD1 3.99Å; L8-F268 HydrophobicContact CD1-CG 4.07Å; L8-F268 HydrophobicContact CD2-CD1 4.27Å; L8-F268 HydrophobicContact CD2-CD2 3.73Å; L8-F268 HydrophobicContact CD2-CE1 4.41Å; L8-F268 HydrophobicContact CD2-CE2 3.9Å; L8-F268 HydrophobicContact CD2-CG 3.92Å; L8-F268 HydrophobicContact CD2-CZ 4.23Å |
| 9 | I | 95.2 | Very high | 81.6 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -132.3 | 132.4 | -179.4 | -53.3 | 172.6 | 0 | 0 | 0 | 107.8 | R7 F12 L172 F182 L185 L241 | R7-I9 VanDerWaalsContact C-N 3.33Å; I9-F12 HydrophobicContact CD1-CE2 4.12Å; I9-F12 HydrophobicContact CG2-CD2 4.35Å; I9-F12 HydrophobicContact CG2-CE2 4.43Å; I9-L172 HydrophobicContact CD1-CD1 3.95Å; I9-L172 HydrophobicContact CG1-CD1 4.27Å; I9-L172 HydrophobicContact CG2-CD1 4.23Å; I9-L172 HydrophobicContact CG2-CD2 4.2Å; I9-L172 HydrophobicContact CG2-CG 3.8Å; I9-F182 HydrophobicContact CD1-CE1 4.37Å; I9-F182 HydrophobicContact CG1-CE1 3.94Å; I9-F182 HydrophobicContact CG1-CZ 4.49Å; I9-L185 HydrophobicContact CD1-CD2 3.68Å; I9-L241 HydrophobicContact CB-CD2 4.03Å; I9-L241 HydrophobicContact CG2-CD2 3.63Å | ||
| 10 | D | 94.1 | Very high | 80.9 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -87.1 | -48.2 | 177.8 | -65.4 | -71.1 | 0 | 0 | 0 | 111.5 | R7 P36 H40 F43 I173 T174 H175 | R7-D10 IonicContact CZ-OD1 3.04Å; R7-D10 IonicContact NE-OD1 2.74Å; R7-D10 PolarHBondContact NE-OD1 3.18Å; R7-D10 VanDerWaalsContact NE-OD1 3.1Å; R7-D10 IonicContact NH2-OD1 2.72Å; R7-D10 PolarHBondContact NH2-OD1 2.91Å; D10-P36 WeakPolarHBondContact O-CD 3.18Å; D10-H40 PolarHBondContact O-NE2 2.64Å; D10-F43 HydrophobicContact CB-CD1 4.35Å; D10-I173 PolarHBondContact N-O 2.95Å; D10-T174 WeakPolarHBondContact OD2-CA 3.28Å; D10-H175 VanDerWaalsContact CG-NE2 3.32Å; D10-H175 IonicContact OD1-CE1 3.61Å; D10-H175 PolarHBondContact OD1-CE1 3.19Å; D10-H175 IonicContact OD1-ND1 3.26Å; D10-H175 PolarHBondContact OD1-ND1 2.98Å; D10-H175 IonicContact OD1-NE2 3.54Å; D10-H175 PolarHBondContact OD1-NE2 3.14Å; D10-H175 CovalentContact OD2-CE1 1.83Å; D10-H175 IonicContact OD2-CE1 2.66Å; D10-H175 PolarHBondContact OD2-CE1 3.03Å; D10-H175 IonicContact OD2-CG 3.29Å; D10-H175 PolarHBondContact OD2-N 2.66Å; D10-H175 IonicContact OD2-ND1 3.07Å; D10-H175 PolarHBondContact OD2-ND1 2.87Å; D10-H175 IonicContact OD2-NE2 2.72Å; D10-H175 PolarHBondContact OD2-NE2 3.28Å | ||
| 11 | Y | 96 | Very high | 80 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 148 | -176.3 | -59.9 | -84.4 | 0 | 0 | 0 | 112.9 | F35 P36 N39 H40 F43 L45 I173 | Y11-F35 CarbonylContact C-O 3.52Å; Y11-F35 VanDerWaalsContact CA-O 3.25Å; Y11-F35 WeakPolarHBondContact CA-O 3.04Å; Y11-P36 HydrophobicContact CD1-CG 4.17Å; Y11-P36 HydrophobicContact CE1-CG 4.12Å; Y11-N39 WeakPolarHBondContact OH-CA 3.33Å; Y11-H40 AromaticContact CE1-CD2 3.96Å; Y11-H40 AromaticContact CE2-CD2 3.72Å; Y11-H40 AromaticContact CZ-CD2 3.46Å; Y11-H40 VanDerWaalsContact CZ-CD2 3.46Å; Y11-H40 PolarHBondContact OH-N 2.92Å; Y11-F43 HydrophobicContact CD2-CD1 4.34Å; Y11-F43 HydrophobicContact CD2-CE1 4.16Å; Y11-F43 AromaticContact CE2-CD1 3.74Å; Y11-F43 HydrophobicContact CE2-CD1 3.74Å; Y11-F43 AromaticContact CE2-CE1 3.89Å; Y11-F43 HydrophobicContact CE2-CE1 3.89Å; Y11-F43 WeakPolarHBondContact CE2-O 3.31Å; Y11-F43 PolarHBondContact OH-O 2.91Å; Y11-L45 HydrophobicContact CD1-CB 4.4Å; Y11-L45 HydrophobicContact CD1-CD2 4.25Å; Y11-L45 HydrophobicContact CD2-CB 4.22Å; Y11-L45 HydrophobicContact CD2-CD1 3.87Å; Y11-L45 HydrophobicContact CD2-CG 4.47Å; Y11-L45 HydrophobicContact CE1-CB 4.04Å; Y11-L45 HydrophobicContact CE2-CB 3.82Å; Y11-L45 HydrophobicContact CE2-CD1 4.23Å; Y11-L45 HydrophobicContact CG-CB 4.49Å; Y11-L45 HydrophobicContact CG-CD1 4.19Å; Y11-L45 HydrophobicContact CG-CD2 4.29Å; Y11-L45 PolarHBondContact OH-N 2.99Å; Y11-I173 PolarHBondContact N-O 3.22Å; Y11-I173 PolarHBondContact O-N 2.95Å |
| 12 | F | 95.5 | Very high | 81.3 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 2% | 0.022 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 137.1 | 157 | -96.4 | -78.4 | 0 | 0 | 0 | 109.8 | I9 R34 F35 I170 C171 L172 L185 V186 V189 I237 L241 | I9-F12 HydrophobicContact CD1-CE2 4.12Å; I9-F12 HydrophobicContact CG2-CD2 4.35Å; I9-F12 HydrophobicContact CG2-CE2 4.43Å; F12-R34 CarbonylContact O-C 3.57Å; F12-R34 WeakPolarHBondContact O-CA 3.46Å; F12-F35 HydrophobicContact CB-CB 4.33Å; F12-F35 HydrophobicContact CB-CD2 4.24Å; F12-F35 PolarHBondContact N-O 3.08Å; F12-F35 PolarHBondContact O-N 2.71Å; F12-I170 HydrophobicContact CD1-CG2 4.25Å; F12-I170 HydrophobicContact CE1-CG2 4.29Å; F12-C171 CarbonylContact C-O 3.55Å; F12-C171 WeakPolarHBondContact CA-O 2.95Å; F12-L172 HydrophobicContact CD1-CB 4.36Å; F12-L172 HydrophobicContact CE1-CB 4.04Å; F12-L172 HydrophobicContact CE1-CD1 4.29Å; F12-L172 HydrophobicContact CE2-CD1 4.12Å; F12-L172 HydrophobicContact CZ-CB 4.31Å; F12-L172 HydrophobicContact CZ-CD1 3.74Å; F12-L172 HydrophobicContact CZ-CG 4.31Å; F12-L185 HydrophobicContact CZ-CG 4.42Å; F12-V186 HydrophobicContact CE1-CG2 4.26Å; F12-V189 HydrophobicContact CE1-CG2 4.16Å; F12-V189 HydrophobicContact CZ-CG2 3.97Å; F12-I237 HydrophobicContact CB-CG2 3.91Å; F12-I237 HydrophobicContact CD2-CG2 3.94Å; F12-I237 HydrophobicContact CG-CG2 4.1Å; F12-L241 HydrophobicContact CD2-CD2 4.38Å; F12-L241 HydrophobicContact CD2-CG 4.4Å |
| 13 | V | 95.1 | Very high | 82.2 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 134.6 | -175 | -163.7 | 0 | 0 | 0 | 0 | 110.7 | V15 I31 L45 C171 | V13-V15 HydrophobicContact CG1-CG2 3.85Å; V13-I31 HydrophobicContact CG1-CB 4.41Å; V13-I31 HydrophobicContact CG1-CD1 4.21Å; V13-I31 HydrophobicContact CG1-CG1 3.97Å; V13-I31 HydrophobicContact CG1-CG2 3.77Å; V13-L45 HydrophobicContact CG2-CD2 3.93Å; V13-C171 PolarHBondContact N-O 2.8Å; V13-C171 PolarHBondContact O-N 3.27Å |
| 14 | L | 93.9 | Very high | 82.2 | Confident | 11 Ų | 11 | 33.5 Ų | 33.5 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.1 | 167.1 | -67.1 | 179.7 | 0 | 0 | 0 | 109.2 | L32 C33 S169 I170 W211 L214 | L14-L32 HydrophobicContact CB-CB 4.28Å; L14-L32 PolarHBondContact O-N 2.91Å; L14-C33 HydrophobicContact CB-CB 4.28Å; L14-C33 HydrophobicContact CD1-CB 4.14Å; L14-C33 PolarHBondContact N-O 3.32Å; L14-C33 PolarHBondContact O-N 3.25Å; L14-S169 WeakPolarHBondContact CA-O 3.45Å; L14-I170 HydrophobicContact CD2-CB 4.34Å; L14-I170 HydrophobicContact CD2-CG1 3.52Å; L14-W211 HydrophobicContact CD1-CZ3 4.39Å; L14-L214 HydrophobicContact CD1-CB 4.44Å; L14-L214 HydrophobicContact CD1-CD1 4.31Å |
| 15 | V | 93.8 | Very high | 81.8 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 142.8 | -177.3 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | V13 P29 E30 I31 C53 Q54 T168 S169 | V13-V15 HydrophobicContact CG1-CG2 3.85Å; V15-P29 HydrophobicContact CG1-CB 3.79Å; V15-E30 VanDerWaalsContact CA-O 3.28Å; V15-E30 WeakPolarHBondContact CA-O 3.36Å; V15-E30 WeakPolarHBondContact CG1-O 3.4Å; V15-I31 HydrophobicContact CG2-CG1 4.42Å; V15-C53 HydrophobicContact CB-CB 4.04Å; V15-C53 HydrophobicContact CG1-CB 4.03Å; V15-C53 HydrophobicContact CG2-CB 4.08Å; V15-Q54 HydrophobicContact CG1-CG 4.34Å; V15-Q54 PolarHBondContact O-NE2 3.49Å; V15-T168 WeakPolarHBondContact O-CA 3.41Å; V15-S169 PolarHBondContact N-O 2.83Å; V15-S169 PolarHBondContact O-N 3.26Å |
| 16 | G | 90 | Very high | 81.3 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172 | -147.3 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | E30 C58 | G16-E30 PolarHBondContact N-O 2.94Å; G16-E30 PolarHBondContact O-N 2.8Å; G16-C58 VanDerWaalsContact C-SG 3.56Å |
| 17 | S | 84.2 | Confident | 80.9 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | trans | -121.8 | 133.9 | 174.9 | 162.2 | 0 | 0 | 0 | 0 | 110.8 | S19 Q27 C58 | S17-S19 PolarHBondContact OG-N 3.41Å; S17-S19 PolarHBondContact OG-O 2.83Å; S17-Q27 VanDerWaalsContact CB-OE1 3.27Å; S17-Q27 PolarHBondContact OG-OE1 3.39Å; S17-C58 PolarHBondContact N-SG 2.86Å | ||
| 18 | R | 74.2 | Confident | 80.6 | Confident | 122 Ų | 122 | 40.6 Ų | 40.6 | 46% | 0.46 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -69.6 | -33.1 | 177.9 | -66.3 | 176.3 | -173 | -124.1 | -10.3 | 112.8 | E30 I31 L32 | R18-E30 WeakPolarHBondContact CD-OE2 3.39Å; R18-E30 VanDerWaalsContact CG-OE2 3.22Å; R18-E30 WeakPolarHBondContact CG-OE2 3.3Å; R18-E30 IonicContact NE-OE2 3.34Å; R18-E30 PolarHBondContact NE-OE2 2.99Å; R18-I31 PolarHBondContact NH2-O 2.97Å; R18-L32 HydrophobicContact CG-CD2 3.74Å |
| 19 | S | 72.5 | Confident | 80.5 | Confident | 83 Ų | 83 | 40.8 Ų | 40.8 | 58% | 0.58 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -127.6 | 78.1 | -178 | 58.4 | 0 | 0 | 0 | 0 | 110.1 | S17 G21 Q27 | S17-S19 PolarHBondContact OG-N 3.41Å; S17-S19 PolarHBondContact OG-O 2.83Å; S19-G21 PolarHBondContact O-N 3.49Å; S19-Q27 PolarHBondContact O-NE2 3.12Å; S19-Q27 PolarHBondContact O-OE1 3.25Å |
| 20 | P | 66.3 | Low | 80.3 | Confident | 34 Ų | 34 | 44.6 Ų | 44.6 | 22% | 0.221 | 26% | 0.26 | C | S | . | . | trans | -61 | 109.9 | 177.8 | 23.6 | -33.4 | 0 | 0 | 0 | 110.7 | N60 V107 N166 | P20-N60 WeakPolarHBondContact CA-ND2 3.27Å; P20-V107 HydrophobicContact CB-CG1 4.5Å; P20-V107 HydrophobicContact CB-CG2 4.44Å; P20-V107 HydrophobicContact CG-CB 4.44Å; P20-V107 HydrophobicContact CG-CG1 3.59Å; P20-V107 HydrophobicContact CG-CG2 4.05Å; P20-N166 HydrophobicContact CB-CB 4.35Å | ||
| 21 | G | 61.5 | Low | 80.1 | Confident | 29 Ų | 29 | 46.3 Ų | 46.3 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | trans | -77.1 | -171.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S19 N60 | S19-G21 PolarHBondContact O-N 3.49Å; G21-N60 PolarHBondContact N-ND2 2.79Å; G21-N60 VanDerWaalsContact N-ND2 3.18Å; G21-N60 PolarHBondContact O-ND2 3.44Å | ||
| 22 | N | 59 | Low | 79.7 | Confident | 148 Ų | 148 | 46.6 Ų | 46.6 | 79% | 0.791 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -52.3 | 145.5 | 178.5 | -74.1 | -22.1 | 0 | 0 | 0 | 112.5 | S25 | N22-S25 PolarHBondContact O-N 3.01Å; N22-S25 PolarHBondContact O-OG 2.78Å |
| 23 | A | 58.7 | Low | 79.4 | Confident | 40 Ų | 40 | 46.6 Ų | 46.6 | 33% | 0.331 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 149.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S25 | A23-S25 VanDerWaalsContact C-N 3.25Å; A23-S25 PolarHBondContact O-N 2.69Å |
| 24 | N | 59.3 | Low | 79.2 | Confident | 111 Ų | 111 | 47.6 Ų | 47.6 | 59% | 0.594 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 9.4 | -177.5 | -45.3 | -20 | 0 | 0 | 0 | 115.8 | N60 | N24-N60 PolarHBondContact N-O 2.73Š|
| 25 | S | 67 | Low | 79.1 | Confident | 46 Ų | 46 | 47.2 Ų | 47.2 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | trans | -86.1 | 137.5 | 163.1 | 60.2 | 0 | 0 | 0 | 0 | 110.9 | N22 A23 | N22-S25 PolarHBondContact O-N 3.01Å; N22-S25 PolarHBondContact O-OG 2.78Å; A23-S25 VanDerWaalsContact C-N 3.25Å; A23-S25 PolarHBondContact O-N 2.69Å | ||
| 26 | V | 75 | Confident | 78.9 | Confident | 94 Ų | 94 | 47.3 Ų | 47.3 | 57% | 0.57 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 124.2 | 168.8 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | E56 C58 I59 | V26-E56 WeakPolarHBondContact CG1-O 3.49Å; V26-C58 WeakPolarHBondContact CA-O 3.36Å; V26-I59 HydrophobicContact CG2-CG1 4.44Å |
| 27 | Q | 82.7 | Confident | 78.6 | Confident | 45 Ų | 45 | 47.4 Ų | 47.4 | 21% | 0.21 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 159.6 | 178.7 | -62 | -175.8 | -48.1 | 0 | 0 | 110.6 | S17 S19 C58 | S17-Q27 VanDerWaalsContact CB-OE1 3.27Å; S17-Q27 PolarHBondContact OG-OE1 3.39Å; S19-Q27 PolarHBondContact O-NE2 3.12Å; S19-Q27 PolarHBondContact O-OE1 3.25Å; Q27-C58 HydrophobicContact CB-CB 4.21Å; Q27-C58 PolarHBondContact N-O 2.97Å; Q27-C58 WeakPolarHBondContact O-CB 3.26Å; Q27-C58 PolarHBondContact O-N 3.01Å |
| 28 | S | 85.6 | Confident | 78.6 | Confident | 70 Ų | 70 | 49.8 Ų | 49.8 | 49% | 0.49 | 29% | 0.287 | S | S | . | . | trans | -67 | 137.1 | 170.2 | -166.7 | 0 | 0 | 0 | 0 | 109.8 | F51 | S28-F51 WeakPolarHBondContact OG-CE1 3.4Š| ||
| 29 | P | 91.3 | Very high | 79.3 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | trans | -74.6 | 140.6 | 173.5 | 31.1 | -33.4 | 0 | 0 | 0 | 110.7 | V15 S50 F51 Q54 | V15-P29 HydrophobicContact CG1-CB 3.79Å; P29-S50 WeakPolarHBondContact CG-O 3.45Å; P29-S50 WeakPolarHBondContact O-CB 3.12Å; P29-S50 PolarHBondContact O-OG 2.81Å; P29-F51 HydrophobicContact CG-CD1 3.81Å; P29-F51 HydrophobicContact CG-CE1 4.35Å; P29-F51 HydrophobicContact CG-CG 4.49Å; P29-Q54 HydrophobicContact CB-CB 3.97Å; P29-Q54 HydrophobicContact CB-CG 4.38Å; P29-Q54 HydrophobicContact CG-CB 4.28Å | ||
| 30 | E | 90.4 | Very high | 80 | Confident | 80 Ų | 80 | 44.5 Ų | 44.5 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 154.2 | 180 | -66.2 | -178 | 179.3 | 0 | 0 | 111.3 | V15 G16 R18 L32 | V15-E30 VanDerWaalsContact CA-O 3.28Å; V15-E30 WeakPolarHBondContact CA-O 3.36Å; V15-E30 WeakPolarHBondContact CG1-O 3.4Å; G16-E30 PolarHBondContact N-O 2.94Å; G16-E30 PolarHBondContact O-N 2.8Å; R18-E30 WeakPolarHBondContact CD-OE2 3.39Å; R18-E30 VanDerWaalsContact CG-OE2 3.22Å; R18-E30 WeakPolarHBondContact CG-OE2 3.3Å; R18-E30 IonicContact NE-OE2 3.34Å; R18-E30 PolarHBondContact NE-OE2 2.99Å; E30-L32 PolarHBondContact O-N 2.83Å |
| 31 | I | 91 | Very high | 80.9 | Confident | 35 Ų | 35 | 53.2 Ų | 53.2 | 18% | 0.179 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 117.1 | 167.5 | -60.3 | 177 | 0 | 0 | 0 | 108.9 | V13 V15 R18 R34 L45 V49 | V13-I31 HydrophobicContact CG1-CB 4.41Å; V13-I31 HydrophobicContact CG1-CD1 4.21Å; V13-I31 HydrophobicContact CG1-CG1 3.97Å; V13-I31 HydrophobicContact CG1-CG2 3.77Å; V15-I31 HydrophobicContact CG2-CG1 4.42Å; R18-I31 PolarHBondContact NH2-O 2.97Å; I31-R34 HydrophobicContact CG2-CB 4.32Å; I31-L45 HydrophobicContact CD1-CD2 4.34Å; I31-V49 HydrophobicContact CD1-CG1 3.94Å; I31-V49 HydrophobicContact CG1-CG1 4.49Å |
| 32 | L | 87.6 | Confident | 81.9 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -44.3 | 177.8 | -60 | 175.8 | 0 | 0 | 0 | 111.1 | L14 R18 E30 T215 | L14-L32 HydrophobicContact CB-CB 4.28Å; L14-L32 PolarHBondContact O-N 2.91Å; R18-L32 HydrophobicContact CG-CD2 3.74Å; E30-L32 PolarHBondContact O-N 2.83Å; L32-T215 HydrophobicContact CB-CG2 4.21Å; L32-T215 HydrophobicContact CD1-CG2 3.94Å; L32-T215 HydrophobicContact CD2-CG2 4.18Å; L32-T215 HydrophobicContact CG-CG2 4.33Å |
| 33 | C | 88.1 | Confident | 83.3 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.034 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 153.6 | 178.3 | -171.1 | 0 | 0 | 0 | 0 | 109.7 | L14 F35 | L14-C33 HydrophobicContact CB-CB 4.28Å; L14-C33 HydrophobicContact CD1-CB 4.14Å; L14-C33 PolarHBondContact N-O 3.32Å; L14-C33 PolarHBondContact O-N 3.25Å; C33-F35 WeakPolarHBondContact SG-CZ 3.47Å |
| 34 | R | 91.1 | Very high | 84.8 | Confident | 22 Ų | 22 | 51.9 Ų | 51.9 | 8% | 0.083 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 153.5 | 175.9 | 69.5 | 178.1 | -165.9 | 167.1 | 8.4 | 112.1 | F12 I31 P37 N39 A691 N692 | F12-R34 CarbonylContact O-C 3.57Å; F12-R34 WeakPolarHBondContact O-CA 3.46Å; I31-R34 HydrophobicContact CG2-CB 4.32Å; R34-P37 VanDerWaalsContact CZ-O 3.28Å; R34-P37 PolarHBondContact NE-O 3Å; R34-P37 PolarHBondContact NH2-O 3.5Å; R34-N39 PolarHBondContact NH1-OD1 3.03Å; R34-N39 PolarHBondContact NH2-OD1 3.08Å; R34-A691 HydrophobicContact CG-CB 4.08Å; R34-N692 PolarHBondContact NE-OD1 3.02Å; R34-N692 PolarHBondContact NH2-OD1 2.87Å; R34-N692 VanDerWaalsContact NH2-OD1 3.14Å |
| 35 | F | 91.5 | Very high | 86.4 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 129.5 | 177 | -52.5 | -86.5 | 0 | 0 | 0 | 108.5 | Y11 F12 C33 Q234 I237 L238 L241 V689 | Y11-F35 CarbonylContact C-O 3.52Å; Y11-F35 VanDerWaalsContact CA-O 3.25Å; Y11-F35 WeakPolarHBondContact CA-O 3.04Å; F12-F35 HydrophobicContact CB-CB 4.33Å; F12-F35 HydrophobicContact CB-CD2 4.24Å; F12-F35 PolarHBondContact N-O 3.08Å; F12-F35 PolarHBondContact O-N 2.71Å; C33-F35 WeakPolarHBondContact SG-CZ 3.47Å; F35-Q234 HydrophobicContact CE1-CB 3.93Å; F35-Q234 HydrophobicContact CE1-CG 3.7Å; F35-Q234 HydrophobicContact CZ-CB 4.48Å; F35-Q234 HydrophobicContact CZ-CG 3.87Å; F35-I237 HydrophobicContact CB-CG2 3.73Å; F35-I237 HydrophobicContact CD1-CG2 4.3Å; F35-I237 HydrophobicContact CD2-CG2 3.74Å; F35-I237 HydrophobicContact CE2-CG2 4.45Å; F35-I237 HydrophobicContact CG-CB 4.47Å; F35-I237 HydrophobicContact CG-CG2 3.66Å; F35-L238 HydrophobicContact CB-CD2 4.48Å; F35-L238 HydrophobicContact CD1-CD2 4.48Å; F35-L241 VanDerWaalsContact C-CD1 3.46Å; F35-L241 HydrophobicContact CB-CD1 3.45Å; F35-L241 VanDerWaalsContact CB-CD1 3.45Å; F35-L241 WeakPolarHBondContact O-CD1 3.36Å; F35-V689 HydrophobicContact CD1-CG1 4.16Å; F35-V689 HydrophobicContact CE1-CB 4.2Å; F35-V689 HydrophobicContact CE1-CG1 4.14Å |
| 36 | P | 90.3 | Very high | 87.5 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | S | Bend | cis | -58.2 | 161.5 | -11.6 | 27.5 | -36.5 | 0 | 0 | 0 | 112.8 | D10 Y11 T38 Y703 | D10-P36 WeakPolarHBondContact O-CD 3.18Å; Y11-P36 HydrophobicContact CD1-CG 4.17Å; Y11-P36 HydrophobicContact CE1-CG 4.12Å; P36-T38 VanDerWaalsContact C-N 3.28Å; P36-T38 PolarHBondContact O-N 2.75Å; P36-Y703 HydrophobicContact CB-CE1 3.77Å; P36-Y703 HydrophobicContact CG-CE1 4.41Å |
| 37 | P | 83.8 | Confident | 88.1 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -71.4 | -23.4 | -179.7 | 29.6 | -35.8 | 0 | 0 | 0 | 113 | R34 V689 Q690 N692 L695 | R34-P37 VanDerWaalsContact CZ-O 3.28Å; R34-P37 PolarHBondContact NE-O 3Å; R34-P37 PolarHBondContact NH2-O 3.5Å; P37-V689 HydrophobicContact CB-CG1 3.92Å; P37-V689 HydrophobicContact CG-CG1 3.98Å; P37-Q690 WeakPolarHBondContact CB-O 3.13Å; P37-N692 WeakPolarHBondContact O-CA 3.11Å; P37-N692 PolarHBondContact O-N 3.47Å; P37-L695 HydrophobicContact CG-CB 4.21Å; P37-L695 HydrophobicContact CG-CD1 4.03Å |
| 38 | T | 83.9 | Confident | 88.5 | Confident | 62 Ų | 62 | 49.5 Ų | 49.5 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -100.6 | 167.3 | 178.1 | 48.8 | 0 | 0 | 0 | 0 | 112.1 | P36 | P36-T38 VanDerWaalsContact C-N 3.28Å; P36-T38 PolarHBondContact O-N 2.75Å |
| 39 | N | 88 | Confident | 88.9 | Confident | 75 Ų | 75 | 46.1 Ų | 46.1 | 40% | 0.401 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -89.3 | 142.8 | 176.4 | -80.5 | -8.6 | 0 | 0 | 0 | 111.4 | Y11 R34 P44 | Y11-N39 WeakPolarHBondContact OH-CA 3.33Å; R34-N39 PolarHBondContact NH1-OD1 3.03Å; R34-N39 PolarHBondContact NH2-OD1 3.08Å; N39-P44 HydrophobicContact CB-CB 4.19Å; N39-P44 WeakPolarHBondContact ND2-CB 3.47Å |
| 40 | H | 88.4 | Confident | 89 | Confident | 20 Ų | 20 | 46.3 Ų | 46.3 | 9% | 0.093 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -67.2 | 140.1 | 165 | -62 | -58 | 0 | 0 | 0 | 111 | D10 Y11 D42 F43 | D10-H40 PolarHBondContact O-NE2 2.64Å; Y11-H40 AromaticContact CE1-CD2 3.96Å; Y11-H40 AromaticContact CE2-CD2 3.72Å; Y11-H40 AromaticContact CZ-CD2 3.46Å; Y11-H40 VanDerWaalsContact CZ-CD2 3.46Å; Y11-H40 PolarHBondContact OH-N 2.92Å; H40-D42 VanDerWaalsContact C-N 3.3Å; H40-D42 PolarHBondContact O-N 2.88Å; H40-F43 CarbonylContact O-C 3.12Å; H40-F43 PolarHBondContact O-N 2.87Å |
| 41 | K | 84.4 | Confident | 89.2 | Confident | 217 Ų | 217 | 43.8 Ų | 43.8 | 94% | 0.943 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -36 | 179.3 | -68.3 | -175.8 | -179.9 | 179.5 | 0 | 112.9 | ||
| 42 | D | 84 | Confident | 89.4 | Confident | 93 Ų | 93 | 43.2 Ų | 43.2 | 50% | 0.497 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -15.8 | -178.9 | 64.2 | -73.4 | 0 | 0 | 0 | 114.1 | R7 H40 H175 | R7-D42 IonicContact CZ-OD1 3.62Å; R7-D42 IonicContact CZ-OD2 3.84Å; R7-D42 IonicContact NH1-OD1 2.77Å; R7-D42 PolarHBondContact NH1-OD1 3.23Å; R7-D42 IonicContact NH1-OD2 3.35Å; R7-D42 IonicContact NH2-OD1 3.3Å; R7-D42 PolarHBondContact NH2-OD1 3.29Å; R7-D42 IonicContact NH2-OD2 3.18Å; R7-D42 PolarHBondContact NH2-OD2 3.4Å; H40-D42 VanDerWaalsContact C-N 3.3Å; H40-D42 PolarHBondContact O-N 2.88Å; D42-H175 IonicContact OD2-NE2 3.44Å |
| 43 | F | 87.6 | Confident | 89.8 | Confident | 21 Ų | 21 | 42.9 Ų | 42.9 | 9% | 0.092 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -155.1 | 84.1 | -178.4 | -179 | -125.3 | 0 | 0 | 0 | 111.7 | D10 Y11 H40 L45 R96 I173 | D10-F43 HydrophobicContact CB-CD1 4.35Å; Y11-F43 HydrophobicContact CD2-CD1 4.34Å; Y11-F43 HydrophobicContact CD2-CE1 4.16Å; Y11-F43 AromaticContact CE2-CD1 3.74Å; Y11-F43 HydrophobicContact CE2-CD1 3.74Å; Y11-F43 AromaticContact CE2-CE1 3.89Å; Y11-F43 HydrophobicContact CE2-CE1 3.89Å; Y11-F43 WeakPolarHBondContact CE2-O 3.31Å; Y11-F43 PolarHBondContact OH-O 2.91Å; H40-F43 CarbonylContact O-C 3.12Å; H40-F43 PolarHBondContact O-N 2.87Å; F43-L45 PolarHBondContact O-N 3.31Å; F43-R96 HydrophobicContact CD1-CG 4.47Å; F43-R96 HydrophobicContact CE1-CG 3.93Å; F43-R96 HydrophobicContact CE2-CG 4.13Å; F43-R96 HydrophobicContact CZ-CG 3.75Å; F43-I173 HydrophobicContact CE1-CG2 3.9Å; F43-I173 HydrophobicContact CZ-CG2 4.41Å |
| 44 | P | 90.4 | Very high | 90.1 | Very high | 75 Ų | 75 | 42.7 Ų | 42.7 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -67.2 | 130.8 | 171.8 | 27.9 | -33.9 | 0 | 0 | 0 | 110.6 | N39 P46 | N39-P44 HydrophobicContact CB-CB 4.19Å; N39-P44 WeakPolarHBondContact ND2-CB 3.47Å; P44-P46 VanDerWaalsContact O-CD 3.28Å; P44-P46 WeakPolarHBondContact O-CD 3.45Å |
| 45 | L | 92.4 | Very high | 90.2 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 119.8 | -177.4 | -177.8 | 65.8 | 0 | 0 | 0 | 111.4 | Y11 V13 I31 F43 V49 I173 | Y11-L45 HydrophobicContact CD1-CB 4.4Å; Y11-L45 HydrophobicContact CD1-CD2 4.25Å; Y11-L45 HydrophobicContact CD2-CB 4.22Å; Y11-L45 HydrophobicContact CD2-CD1 3.87Å; Y11-L45 HydrophobicContact CD2-CG 4.47Å; Y11-L45 HydrophobicContact CE1-CB 4.04Å; Y11-L45 HydrophobicContact CE2-CB 3.82Å; Y11-L45 HydrophobicContact CE2-CD1 4.23Å; Y11-L45 HydrophobicContact CG-CB 4.49Å; Y11-L45 HydrophobicContact CG-CD1 4.19Å; Y11-L45 HydrophobicContact CG-CD2 4.29Å; Y11-L45 PolarHBondContact OH-N 2.99Å; V13-L45 HydrophobicContact CG2-CD2 3.93Å; I31-L45 HydrophobicContact CD1-CD2 4.34Å; F43-L45 PolarHBondContact O-N 3.31Å; L45-V49 HydrophobicContact CD1-CG1 4.31Å; L45-V49 HydrophobicContact CG-CG1 4.49Å; L45-I173 HydrophobicContact CD1-CG1 4.28Å |
| 46 | P | 90.7 | Very high | 90.1 | Very high | 50 Ų | 50 | 44.6 Ų | 44.6 | 33% | 0.325 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -68 | 138.8 | 175 | -19.7 | 33.7 | 0 | 0 | 0 | 111.7 | P44 D48 V49 | P44-P46 VanDerWaalsContact O-CD 3.28Å; P44-P46 WeakPolarHBondContact O-CD 3.45Å; P46-D48 PolarHBondContact O-N 3.18Å; P46-V49 WeakPolarHBondContact O-CB 3.26Å; P46-V49 WeakPolarHBondContact O-CG1 3.31Å; P46-V49 PolarHBondContact O-N 3.44Å |
| 47 | T | 87.1 | Confident | 89.9 | Confident | 103 Ų | 103 | 44.6 Ų | 44.6 | 63% | 0.632 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -33.7 | 174.9 | 42 | 0 | 0 | 0 | 0 | 112.9 | V49 S50 | T47-V49 PolarHBondContact O-N 3.24Å; T47-V49 VanDerWaalsContact O-N 3.09Å; T47-S50 PolarHBondContact O-N 2.83Å; T47-S50 PolarHBondContact O-OG 2.92Å |
| 48 | D | 90.1 | Very high | 90 | Very high | 77 Ų | 77 | 44.5 Ų | 44.5 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -9.7 | -171.9 | -49.9 | -27.3 | 0 | 0 | 0 | 113 | P46 S50 F51 F52 M346 | P46-D48 PolarHBondContact O-N 3.18Å; D48-S50 PolarHBondContact O-N 3.15Å; D48-S50 VanDerWaalsContact O-N 3.11Å; D48-F51 HydrophobicContact CB-CD2 4.02Å; D48-F51 HydrophobicContact CB-CE2 4.46Å; D48-F51 WeakPolarHBondContact O-CB 3.35Å; D48-F51 PolarHBondContact O-N 2.79Å; D48-F52 WeakPolarHBondContact O-CD2 3.34Å; D48-M346 HydrophobicContact CB-CE 4.14Å |
| 49 | V | 94.6 | Very high | 90 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.5 | -28.2 | 171 | 74.6 | 0 | 0 | 0 | 0 | 112.3 | I31 L45 P46 T47 F51 F52 C53 F85 L87 I173 | I31-V49 HydrophobicContact CD1-CG1 3.94Å; I31-V49 HydrophobicContact CG1-CG1 4.49Å; L45-V49 HydrophobicContact CD1-CG1 4.31Å; L45-V49 HydrophobicContact CG-CG1 4.49Å; P46-V49 WeakPolarHBondContact O-CB 3.26Å; P46-V49 WeakPolarHBondContact O-CG1 3.31Å; P46-V49 PolarHBondContact O-N 3.44Å; T47-V49 PolarHBondContact O-N 3.24Å; T47-V49 VanDerWaalsContact O-N 3.09Å; V49-F51 PolarHBondContact O-N 3.49Å; V49-F52 PolarHBondContact O-N 3.47Å; V49-C53 PolarHBondContact O-N 3.29Å; V49-C53 PolarHBondContact O-SG 2.82Å; V49-F85 HydrophobicContact CG2-CE2 4.12Å; V49-F85 HydrophobicContact CG2-CZ 3.8Å; V49-L87 HydrophobicContact CG2-CD1 4.25Å; V49-I173 HydrophobicContact CG2-CD1 3.77Å; V49-I173 HydrophobicContact CG2-CG1 4.48Å |
| 50 | S | 94.7 | Very high | 89.6 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 6% | 0.056 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60 | -41 | 174.6 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | P29 T47 D48 C53 Q54 | P29-S50 WeakPolarHBondContact CG-O 3.45Å; P29-S50 WeakPolarHBondContact O-CB 3.12Å; P29-S50 PolarHBondContact O-OG 2.81Å; T47-S50 PolarHBondContact O-N 2.83Å; T47-S50 PolarHBondContact O-OG 2.92Å; D48-S50 PolarHBondContact O-N 3.15Å; D48-S50 VanDerWaalsContact O-N 3.11Å; S50-C53 PolarHBondContact O-N 2.83Å; S50-Q54 PolarHBondContact O-N 3.49Å; S50-Q54 VanDerWaalsContact O-N 3.12Å |
| 51 | F | 94.5 | Very high | 88.7 | Confident | 26 Ų | 26 | 40.2 Ų | 40.2 | 11% | 0.114 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.1 | -36.1 | 174.8 | -57.3 | -66 | 0 | 0 | 0 | 111.9 | S28 P29 D48 V49 Q54 P55 P343 M346 | S28-F51 WeakPolarHBondContact OG-CE1 3.4Å; P29-F51 HydrophobicContact CG-CD1 3.81Å; P29-F51 HydrophobicContact CG-CE1 4.35Å; P29-F51 HydrophobicContact CG-CG 4.49Å; D48-F51 HydrophobicContact CB-CD2 4.02Å; D48-F51 HydrophobicContact CB-CE2 4.46Å; D48-F51 WeakPolarHBondContact O-CB 3.35Å; D48-F51 PolarHBondContact O-N 2.79Å; V49-F51 PolarHBondContact O-N 3.49Å; F51-Q54 CarbonylContact O-C 3.57Å; F51-Q54 PolarHBondContact O-N 3.37Å; F51-P55 VanDerWaalsContact O-CA 3.24Å; F51-P55 WeakPolarHBondContact O-CA 3.27Å; F51-P343 HydrophobicContact CB-CB 3.96Å; F51-P343 HydrophobicContact CB-CG 3.99Å; F51-P343 WeakPolarHBondContact O-CB 3.32Å; F51-P343 WeakPolarHBondContact O-CG 3.48Å; F51-M346 HydrophobicContact CB-CB 4.22Å; F51-M346 HydrophobicContact CB-CE 4.13Å; F51-M346 HydrophobicContact CD2-CB 4.48Å; F51-M346 HydrophobicContact CD2-CE 4.07Å; F51-M346 HydrophobicContact CG-CB 4.22Å; F51-M346 HydrophobicContact CG-CE 4.47Å |
| 52 | F | 95.3 | Very high | 87.7 | Confident | 24 Ų | 24 | 31 Ų | 31 | 11% | 0.105 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.4 | -31.9 | 174.7 | -70.4 | -87.4 | 0 | 0 | 0 | 112.8 | D48 V49 Q54 F83 F85 L87 L341 P343 M346 | D48-F52 WeakPolarHBondContact O-CD2 3.34Å; V49-F52 PolarHBondContact O-N 3.47Å; F52-Q54 VanDerWaalsContact C-N 3.34Å; F52-F83 WeakPolarHBondContact O-CE2 3.37Å; F52-F85 HydrophobicContact CB-CD1 3.93Å; F52-F85 HydrophobicContact CB-CD2 3.58Å; F52-F85 HydrophobicContact CB-CE1 3.86Å; F52-F85 HydrophobicContact CB-CE2 3.52Å; F52-F85 HydrophobicContact CB-CG 3.79Å; F52-F85 HydrophobicContact CB-CZ 3.67Å; F52-F85 HydrophobicContact CD1-CB 4.24Å; F52-F85 AromaticContact CD1-CD2 3.91Å; F52-F85 HydrophobicContact CD1-CD2 3.91Å; F52-F85 HydrophobicContact CD1-CG 4.2Å; F52-F85 AromaticContact CG-CD2 3.88Å; F52-F85 HydrophobicContact CG-CD2 3.88Å; F52-F85 HydrophobicContact CG-CE2 4.06Å; F52-F85 HydrophobicContact CG-CG 4.34Å; F52-L87 HydrophobicContact CD1-CD2 4.46Å; F52-L87 HydrophobicContact CD2-CD2 3.63Å; F52-L87 HydrophobicContact CE1-CD2 4.39Å; F52-L87 HydrophobicContact CE2-CD2 3.54Å; F52-L87 HydrophobicContact CG-CD2 4.1Å; F52-L87 HydrophobicContact CZ-CD2 3.96Å; F52-L341 WeakPolarHBondContact CD1-O 3.47Å; F52-L341 VanDerWaalsContact CE1-O 3.26Å; F52-L341 WeakPolarHBondContact CE1-O 3.47Å; F52-P343 HydrophobicContact CD1-CG 3.89Å; F52-P343 HydrophobicContact CD2-CG 4.36Å; F52-P343 HydrophobicContact CE1-CG 4.17Å; F52-P343 HydrophobicContact CG-CG 4Å; F52-M346 HydrophobicContact CD2-CE 4.29Å; F52-M346 HydrophobicContact CE2-CE 3.63Å; F52-M346 HydrophobicContact CZ-CE 4.14Å |
| 53 | C | 95.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.9 | -31.6 | 173.3 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | V15 V49 S50 N102 S169 C171 | V15-C53 HydrophobicContact CB-CB 4.04Å; V15-C53 HydrophobicContact CG1-CB 4.03Å; V15-C53 HydrophobicContact CG2-CB 4.08Å; V49-C53 PolarHBondContact O-N 3.29Å; V49-C53 PolarHBondContact O-SG 2.82Å; S50-C53 PolarHBondContact O-N 2.83Å; C53-N102 PolarHBondContact O-ND2 2.71Å; C53-N102 PolarHBondContact O-OD1 3.23Å; C53-N102 VanDerWaalsContact O-OD1 3.05Å; C53-S169 PolarHBondContact O-OG 3.35Å; C53-C171 WeakPolarHBondContact SG-CB 3.5Å |
| 54 | Q | 93.8 | Very high | 84.6 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -134.1 | 76.9 | -179.6 | -62.2 | -169 | -2.8 | 0 | 0 | 110.3 | V15 P29 S50 F51 F52 E56 G57 C58 L167 S169 C345 | V15-Q54 HydrophobicContact CG1-CG 4.34Å; V15-Q54 PolarHBondContact O-NE2 3.49Å; P29-Q54 HydrophobicContact CB-CB 3.97Å; P29-Q54 HydrophobicContact CB-CG 4.38Å; P29-Q54 HydrophobicContact CG-CB 4.28Å; S50-Q54 PolarHBondContact O-N 3.49Å; S50-Q54 VanDerWaalsContact O-N 3.12Å; F51-Q54 CarbonylContact O-C 3.57Å; F51-Q54 PolarHBondContact O-N 3.37Å; F52-Q54 VanDerWaalsContact C-N 3.34Å; Q54-E56 PolarHBondContact O-N 3.08Å; Q54-E56 VanDerWaalsContact O-N 3.11Å; Q54-G57 PolarHBondContact O-N 2.83Å; Q54-C58 VanDerWaalsContact OE1-CA 3.27Å; Q54-C58 VanDerWaalsContact OE1-CB 3.3Å; Q54-C58 PolarHBondContact OE1-SG 3.14Å; Q54-L167 HydrophobicContact CB-CD2 4.44Å; Q54-L167 HydrophobicContact CG-CD2 4.17Å; Q54-L167 PolarHBondContact NE2-O 3.16Å; Q54-S169 VanDerWaalsContact CG-OG 3.22Å; Q54-S169 WeakPolarHBondContact CG-OG 3.43Å; Q54-S169 PolarHBondContact NE2-OG 3.32Å; Q54-C345 PolarHBondContact O-SG 2.88Å |
| 55 | P | 92.2 | Very high | 82.6 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -24.1 | -168 | 24.9 | -36.8 | 0 | 0 | 0 | 114.8 | F51 Y315 L341 P343 A344 C345 P364 | F51-P55 VanDerWaalsContact O-CA 3.24Å; F51-P55 WeakPolarHBondContact O-CA 3.27Å; P55-Y315 HydrophobicContact CG-CD1 4.43Å; P55-Y315 HydrophobicContact CG-CD2 3.75Å; P55-Y315 HydrophobicContact CG-CE1 4.16Å; P55-Y315 HydrophobicContact CG-CE2 3.41Å; P55-Y315 VanDerWaalsContact CG-CE2 3.41Å; P55-Y315 HydrophobicContact CG-CG 4.27Å; P55-L341 HydrophobicContact CB-CD2 4.34Å; P55-L341 HydrophobicContact CB-CG 4.47Å; P55-L341 HydrophobicContact CG-CD2 4.2Å; P55-P343 HydrophobicContact CB-CB 4.3Å; P55-A344 PolarHBondContact O-N 3.4Å; P55-C345 PolarHBondContact O-N 3.16Å; P55-C345 PolarHBondContact O-SG 3.48Å; P55-P364 HydrophobicContact CB-CG 4.34Å |
| 56 | E | 89.3 | Confident | 80.2 | Confident | 64 Ų | 64 | 36.9 Ų | 36.9 | 30% | 0.299 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 2.2 | 174.9 | -70 | 179.6 | -158.7 | 0 | 0 | 113.8 | V26 Q54 Y315 T366 | V26-E56 WeakPolarHBondContact CG1-O 3.49Å; Q54-E56 PolarHBondContact O-N 3.08Å; Q54-E56 VanDerWaalsContact O-N 3.11Å; E56-Y315 WeakPolarHBondContact CG-OH 3.3Å; E56-Y315 PolarHBondContact OE1-OH 3.5Å; E56-T366 WeakPolarHBondContact OE1-CG2 3.08Å; E56-T366 PolarHBondContact OE1-OG1 3.35Å |
| 57 | G | 87.5 | Confident | 77.8 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | trans | 91.3 | 178.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q54 | Q54-G57 PolarHBondContact O-N 2.83Š| ||
| 58 | C | 85.7 | Confident | 75.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 120.9 | -176.3 | -155.7 | 0 | 0 | 0 | 0 | 109.9 | G16 S17 V26 Q27 Q54 N166 L167 | G16-C58 VanDerWaalsContact C-SG 3.56Å; S17-C58 PolarHBondContact N-SG 2.86Å; V26-C58 WeakPolarHBondContact CA-O 3.36Å; Q27-C58 HydrophobicContact CB-CB 4.21Å; Q27-C58 PolarHBondContact N-O 2.97Å; Q27-C58 WeakPolarHBondContact O-CB 3.26Å; Q27-C58 PolarHBondContact O-N 3.01Å; Q54-C58 VanDerWaalsContact OE1-CA 3.27Å; Q54-C58 VanDerWaalsContact OE1-CB 3.3Å; Q54-C58 PolarHBondContact OE1-SG 3.14Å; C58-N166 PolarHBondContact SG-OD1 3.15Å; C58-L167 PolarHBondContact SG-O 3.25Å; C58-L167 VanDerWaalsContact SG-O 3.38Å |
| 59 | I | 83.8 | Confident | 72.7 | Confident | 55 Ų | 55 | 48 Ų | 48 | 28% | 0.282 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.9 | -168.7 | -54.1 | 178.8 | 0 | 0 | 0 | 111.3 | V26 L167 | V26-I59 HydrophobicContact CG2-CG1 4.44Å; I59-L167 PolarHBondContact O-N 2.94Å; I59-L167 VanDerWaalsContact O-N 3.12Å |
| 60 | N | 78.7 | Confident | 69.6 | Low | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 109.7 | 173.1 | -71.6 | -29.7 | 0 | 0 | 0 | 112.1 | P20 G21 N24 V164 Y165 N166 | P20-N60 WeakPolarHBondContact CA-ND2 3.27Å; G21-N60 PolarHBondContact N-ND2 2.79Å; G21-N60 VanDerWaalsContact N-ND2 3.18Å; G21-N60 PolarHBondContact O-ND2 3.44Å; N24-N60 PolarHBondContact N-O 2.73Å; N60-V164 HydrophobicContact CB-CG1 4.34Å; N60-Y165 CarbonylContact C-O 3.38Å; N60-Y165 WeakPolarHBondContact CA-O 3.16Å; N60-N166 VanDerWaalsContact OD1-CB 3.24Å; N60-N166 WeakPolarHBondContact OD1-CB 3.45Å; N60-N166 PolarHBondContact OD1-OD1 3.4Å; N60-N166 VanDerWaalsContact OD1-OD1 3.06Å |
| 61 | A | 70.2 | Confident | 66.4 | Low | 11 Ų | 11 | 59.7 Ų | 59.7 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 134.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F66 F104 Y165 | A61-F66 HydrophobicContact CB-CD1 4.46Å; A61-F66 HydrophobicContact CB-CE1 4.06Å; A61-F104 HydrophobicContact CB-CD1 4.33Å; A61-F104 HydrophobicContact CB-CE1 4.02Å; A61-Y165 PolarHBondContact N-O 3.01Å; A61-Y165 PolarHBondContact O-N 2.64Å |
| 62 | S | 63.7 | Low | 63.4 | Low | 23 Ų | 23 | 65.7 Ų | 65.7 | 16% | 0.161 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 155.2 | 169.3 | 97.7 | 0 | 0 | 0 | 0 | 111 | S64 T65 | S62-S64 PolarHBondContact O-N 3.25Å; S62-S64 PolarHBondContact OG-N 3.09Å; S62-S64 PolarHBondContact OG-OG 3.13Å; S62-S64 VanDerWaalsContact OG-OG 3.09Å; S62-T65 PolarHBondContact O-N 2.85Å; S62-T65 PolarHBondContact OG-OG1 3.27Å |
| 63 | S | 57.9 | Low | 60.2 | Low | 78 Ų | 78 | 71.2 Ų | 71.2 | 55% | 0.545 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -11 | 179.2 | -166.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 64 | S | 48.3 | Very low | 57 | Low | 117 Ų | 117 | 78.3 Ų | 78.3 | 82% | 0.818 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -3.4 | 174 | 61.5 | 0 | 0 | 0 | 0 | 114.3 | S62 | S62-S64 PolarHBondContact O-N 3.25Å; S62-S64 PolarHBondContact OG-N 3.09Å; S62-S64 PolarHBondContact OG-OG 3.13Å; S62-S64 VanDerWaalsContact OG-OG 3.09Å |
| 65 | T | 47.8 | Very low | 53.9 | Low | 64 Ų | 64 | 90.2 Ų | 90.2 | 39% | 0.393 | 48% | 0.482 | S | S | . | . | trans | -116.5 | 10.3 | -173.1 | -18.7 | 0 | 0 | 0 | 0 | 113.9 | S62 P67 | S62-T65 PolarHBondContact O-N 2.85Å; S62-T65 PolarHBondContact OG-OG1 3.27Å; T65-P67 WeakPolarHBondContact O-CD 3.11Å | ||
| 66 | F | 43 | Very low | 51.1 | Low | 69 Ų | 69 | 97.4 Ų | 97.4 | 30% | 0.303 | 52% | 0.52 | S | S | . | . | trans | -62.7 | 121.8 | -177.4 | -81.9 | -63 | 0 | 0 | 0 | 112.4 | A61 I68 I78 Y165 | A61-F66 HydrophobicContact CB-CD1 4.46Å; A61-F66 HydrophobicContact CB-CE1 4.06Å; F66-I68 PolarHBondContact O-N 2.98Å; F66-I78 HydrophobicContact CD1-CD1 4.39Å; F66-I78 HydrophobicContact CE1-CD1 3.51Å; F66-I78 HydrophobicContact CE1-CG1 4.38Å; F66-I78 HydrophobicContact CZ-CD1 3.74Å; F66-Y165 HydrophobicContact CE2-CD2 4.22Å; F66-Y165 HydrophobicContact CE2-CE2 4.15Å; F66-Y165 AromaticContact CZ-CD2 3.63Å; F66-Y165 HydrophobicContact CZ-CD2 3.63Å; F66-Y165 AromaticContact CZ-CE2 3.89Å; F66-Y165 HydrophobicContact CZ-CE2 3.89Å; F66-Y165 HydrophobicContact CZ-CG 4.09Å | ||
| 67 | P | 41 | Very low | 48.8 | Very low | 118 Ų | 118 | 97.6 Ų | 97.6 | 77% | 0.766 | 54% | 0.539 | S | S | * | . | trans | -77.5 | 91.9 | 178 | 31 | -33.7 | 0 | 0 | 0 | 110.7 | T65 K69 | T65-P67 WeakPolarHBondContact O-CD 3.11Å; P67-K69 PolarHBondContact O-N 3.08Å | ||
| 68 | I | 35.1 | Very low | 47.2 | Very low | 138 Ų | 138 | 101.4 Ų | 101.4 | 71% | 0.708 | 56% | 0.559 | S | S | * | * | trans | -70.5 | 96.3 | 173.8 | -58.4 | 176.9 | 0 | 0 | 0 | 109.4 | F66 | F66-I68 PolarHBondContact O-N 2.98Š| ||
| 69 | K | 33.7 | Very low | 46.2 | Very low | 208 Ų | 208 | 110.8 Ų | 110.8 | 90% | 0.904 | 60% | 0.6 | S | S | * | * | trans | -128.3 | 44.4 | 166.2 | -83.9 | -162.6 | 172.6 | -173.1 | 0 | 112.6 | P67 | P67-K69 PolarHBondContact O-N 3.08Š| ||
| 70 | S | 30.5 | Very low | 46 | Very low | 106 Ų | 106 | 110.1 Ų | 110.1 | 74% | 0.741 | 60% | 0.6 | S | S | * | * | trans | -152.5 | 73.1 | 161 | 62.5 | 0 | 0 | 0 | 0 | 109.5 | D72 | S70-D72 VanDerWaalsContact C-N 3.33Å; S70-D72 PolarHBondContact O-N 3.1Å; S70-D72 VanDerWaalsContact O-N 3.14Å | ||
| 71 | L | 27.7 | Very low | 46.4 | Very low | 148 Ų | 148 | 113 Ų | 113 | 78% | 0.775 | 61% | 0.614 | S | S | * | * | trans | -83.2 | 82.2 | 173.9 | -175.2 | 70.6 | 0 | 0 | 0 | 109.4 | ||||
| 72 | D | 30.8 | Very low | 47.5 | Very low | 151 Ų | 151 | 113.7 Ų | 113.7 | 81% | 0.807 | 62% | 0.617 | S | S | * | * | trans | -117.4 | 136 | 158.7 | -118 | -38.5 | 0 | 0 | 0 | 108.3 | S70 N74 | S70-D72 VanDerWaalsContact C-N 3.33Å; S70-D72 PolarHBondContact O-N 3.1Å; S70-D72 VanDerWaalsContact O-N 3.14Å; D72-N74 PolarHBondContact O-N 3.1Å | ||
| 73 | N | 28.3 | Very low | 49 | Very low | 141 Ų | 141 | 112.7 Ų | 112.7 | 75% | 0.754 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -81.3 | 80 | -162.8 | -76 | -56.3 | 0 | 0 | 0 | 113.1 | ||
| 74 | N | 27.7 | Very low | 50.8 | Low | 149 Ų | 149 | 109.2 Ų | 109.2 | 80% | 0.797 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -148.6 | 159.2 | 158.7 | -100.1 | -47.5 | 0 | 0 | 0 | 113.2 | D72 D76 | D72-N74 PolarHBondContact O-N 3.1Å; N74-D76 VanDerWaalsContact C-N 3.29Å; N74-D76 PolarHBondContact O-N 3.36Å; N74-D76 VanDerWaalsContact O-N 3.13Å |
| 75 | R | 29.3 | Very low | 53.1 | Low | 250 Ų | 250 | 103.7 Ų | 103.7 | 94% | 0.943 | 55% | 0.546 | S | S | * | . | trans | -81.5 | 18.5 | -160 | -76 | -179.7 | 164.1 | 179.5 | -4.7 | 116.5 | ||||
| 76 | D | 32.6 | Very low | 55.3 | Low | 154 Ų | 154 | 101.1 Ų | 101.1 | 82% | 0.824 | 53% | 0.531 | S | S | * | . | trans | -97.7 | 140.9 | -172.8 | -75.5 | -65 | 0 | 0 | 0 | 114 | N74 | N74-D76 VanDerWaalsContact C-N 3.29Å; N74-D76 PolarHBondContact O-N 3.36Å; N74-D76 VanDerWaalsContact O-N 3.13Å | ||
| 77 | G | 42.4 | Very low | 57.7 | Low | 68 Ų | 68 | 99 Ų | 99 | 70% | 0.701 | 52% | 0.522 | S | S | * | . | trans | -80.4 | 174.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | K79 | G77-K79 PolarHBondContact O-N 2.9Š| ||
| 78 | I | 52.4 | Low | 60.1 | Low | 80 Ų | 80 | 97 Ų | 97 | 41% | 0.41 | 51% | 0.508 | S | S | . | . | trans | -27 | 109.7 | -177.7 | -51.1 | 165.5 | 0 | 0 | 0 | 113 | F66 S80 F104 | F66-I78 HydrophobicContact CD1-CD1 4.39Å; F66-I78 HydrophobicContact CE1-CD1 3.51Å; F66-I78 HydrophobicContact CE1-CG1 4.38Å; F66-I78 HydrophobicContact CZ-CD1 3.74Å; I78-S80 PolarHBondContact O-N 2.81Å; I78-F104 HydrophobicContact CD1-CB 4.18Å; I78-F104 HydrophobicContact CG2-CD2 3.84Å | ||
| 79 | K | 64.8 | Low | 62.4 | Low | 198 Ų | 198 | 93.6 Ų | 93.6 | 86% | 0.861 | 49% | 0.491 | S | S | * | . | trans | -69 | 124.9 | -176.5 | -167.5 | 175 | -176.8 | 179.4 | 0 | 110.5 | G77 | G77-K79 PolarHBondContact O-N 2.9Š| ||
| 80 | S | 80.8 | Confident | 64.4 | Low | 41 Ų | 41 | 92.2 Ų | 92.2 | 29% | 0.287 | 49% | 0.485 | S | S | . | . | trans | -73.8 | 139.2 | 173.3 | 47.9 | 0 | 0 | 0 | 0 | 111 | I78 N102 Y190 | I78-S80 PolarHBondContact O-N 2.81Å; S80-N102 VanDerWaalsContact CA-O 3.28Å; S80-N102 WeakPolarHBondContact CA-O 3.2Å; S80-N102 WeakPolarHBondContact CB-O 3.49Å; S80-Y190 WeakPolarHBondContact OG-CE1 3.26Å | ||
| 81 | M | 86.4 | Confident | 66.4 | Low | 62 Ų | 62 | 93.2 Ų | 93.2 | 31% | 0.305 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.3 | 179.6 | -177.2 | -178.2 | -175.5 | 0 | 0 | 110 | T101 N102 D314 Y315 | M81-T101 CarbonylContact O-C 3.59Å; M81-T101 WeakPolarHBondContact O-CA 3.4Å; M81-N102 PolarHBondContact N-O 3.12Å; M81-N102 PolarHBondContact O-N 3.45Å; M81-D314 WeakPolarHBondContact CE-OD1 3.2Å; M81-Y315 HydrophobicContact CE-CD2 3.82Å; M81-Y315 HydrophobicContact CE-CG 3.98Å; M81-Y315 HydrophobicContact SD-CD2 4.08Å; M81-Y315 HydrophobicContact SD-CE2 4.35Å |
| 82 | T | 93.4 | Very high | 68.6 | Low | 24 Ų | 24 | 88.2 Ų | 88.2 | 15% | 0.147 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 134 | 171.4 | -53.9 | 0 | 0 | 0 | 0 | 109.5 | I99 C100 T101 A183 Q187 | T82-I99 HydrophobicContact CG2-CG2 4.25Å; T82-C100 CarbonylContact C-O 3.52Å; T82-C100 VanDerWaalsContact CA-O 3.27Å; T82-C100 WeakPolarHBondContact CA-O 3.41Å; T82-T101 WeakPolarHBondContact CB-OG1 3.16Å; T82-T101 WeakPolarHBondContact CG2-OG1 3.21Å; T82-T101 PolarHBondContact OG1-OG1 3.4Å; T82-A183 HydrophobicContact CG2-CB 3.89Å; T82-Q187 PolarHBondContact OG1-NE2 3.13Å |
| 83 | F | 95.4 | Very high | 70.8 | Confident | 2 Ų | 2 | 83 Ų | 83 | 1% | 0.009 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 166.8 | 177.4 | 64.6 | -84 | 0 | 0 | 0 | 111.5 | F52 F85 C100 Y315 N316 L341 | F52-F83 WeakPolarHBondContact O-CE2 3.37Å; F83-F85 HydrophobicContact CE2-CD1 4.15Å; F83-C100 HydrophobicContact CD1-CB 4.5Å; F83-C100 HydrophobicContact CE1-CB 3.99Å; F83-C100 HydrophobicContact CE2-CB 4.09Å; F83-C100 HydrophobicContact CZ-CB 3.77Å; F83-C100 PolarHBondContact N-O 3.41Å; F83-C100 PolarHBondContact O-N 2.9Å; F83-Y315 HydrophobicContact CD1-CD2 4.2Å; F83-Y315 HydrophobicContact CE1-CD2 4.21Å; F83-Y315 HydrophobicContact CG-CD2 4.39Å; F83-Y315 HydrophobicContact CZ-CD2 4.4Å; F83-N316 HydrophobicContact CB-CB 3.82Å; F83-L341 HydrophobicContact CD2-CD2 3.76Å; F83-L341 HydrophobicContact CE2-CD2 3.52Å |
| 84 | L | 95.8 | Very high | 73.4 | Confident | 6 Ų | 6 | 80.2 Ų | 80.2 | 3% | 0.031 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 140.6 | 179.7 | 177 | 66.1 | 0 | 0 | 0 | 110 | Y97 G98 I99 A179 S319 L320 L323 | L84-Y97 HydrophobicContact CD1-CD1 4.21Å; L84-G98 CarbonylContact C-O 3.35Å; L84-G98 WeakPolarHBondContact CA-O 3.49Å; L84-I99 HydrophobicContact CD1-CD1 3.78Å; L84-I99 HydrophobicContact CD1-CG1 3.91Å; L84-A179 HydrophobicContact CD2-CB 3.99Å; L84-S319 WeakPolarHBondContact O-CB 3.3Å; L84-S319 PolarHBondContact O-OG 3.26Å; L84-L320 HydrophobicContact CD2-CD2 3.94Å; L84-L323 HydrophobicContact CD2-CD1 3.45Å; L84-L323 VanDerWaalsContact CD2-CD1 3.45Å; L84-L323 HydrophobicContact CG-CD1 4.34Å |
| 85 | F | 96.2 | Very high | 76.3 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 176 | 163 | 65.6 | -96 | 0 | 0 | 0 | 110.2 | V49 F52 F83 L87 G98 C100 I173 L341 | V49-F85 HydrophobicContact CG2-CE2 4.12Å; V49-F85 HydrophobicContact CG2-CZ 3.8Å; F52-F85 HydrophobicContact CB-CD1 3.93Å; F52-F85 HydrophobicContact CB-CD2 3.58Å; F52-F85 HydrophobicContact CB-CE1 3.86Å; F52-F85 HydrophobicContact CB-CE2 3.52Å; F52-F85 HydrophobicContact CB-CG 3.79Å; F52-F85 HydrophobicContact CB-CZ 3.67Å; F52-F85 HydrophobicContact CD1-CB 4.24Å; F52-F85 AromaticContact CD1-CD2 3.91Å; F52-F85 HydrophobicContact CD1-CD2 3.91Å; F52-F85 HydrophobicContact CD1-CG 4.2Å; F52-F85 AromaticContact CG-CD2 3.88Å; F52-F85 HydrophobicContact CG-CD2 3.88Å; F52-F85 HydrophobicContact CG-CE2 4.06Å; F52-F85 HydrophobicContact CG-CG 4.34Å; F83-F85 HydrophobicContact CE2-CD1 4.15Å; F85-L87 HydrophobicContact CD2-CD2 4.24Å; F85-L87 HydrophobicContact CD2-CG 4.36Å; F85-L87 HydrophobicContact CE2-CD1 4.42Å; F85-L87 HydrophobicContact CE2-CD2 4.02Å; F85-L87 HydrophobicContact CE2-CG 3.99Å; F85-G98 VanDerWaalsContact CD1-O 3.3Å; F85-G98 WeakPolarHBondContact CD1-O 3.42Å; F85-G98 PolarHBondContact N-O 3.07Å; F85-G98 PolarHBondContact O-N 3.47Å; F85-C100 HydrophobicContact CD1-CB 4.45Å; F85-C100 HydrophobicContact CE1-CB 4.09Å; F85-I173 HydrophobicContact CE2-CD1 4.36Å; F85-I173 HydrophobicContact CZ-CD1 4.03Å; F85-L341 HydrophobicContact CB-CB 4.38Å; F85-L341 HydrophobicContact CB-CD2 4.46Å |
| 86 | S | 95 | Very high | 79.3 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 7% | 0.07 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 139.6 | 173.6 | 67.4 | 0 | 0 | 0 | 0 | 112.8 | R96 P340 | S86-R96 CarbonylContact C-O 3.46Å; S86-R96 WeakPolarHBondContact CA-O 3.42Å; S86-R96 WeakPolarHBondContact CB-O 3.33Å; S86-P340 WeakPolarHBondContact OG-CD 3.42Å; S86-P340 WeakPolarHBondContact OG-CG 3.38Å |
| 87 | L | 93.3 | Very high | 82.4 | Confident | 24 Ų | 24 | 59.5 Ų | 59.5 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 135.4 | 169.4 | -54.6 | 177.7 | 0 | 0 | 0 | 108.1 | V49 F52 F85 T95 R96 | V49-L87 HydrophobicContact CG2-CD1 4.25Å; F52-L87 HydrophobicContact CD1-CD2 4.46Å; F52-L87 HydrophobicContact CD2-CD2 3.63Å; F52-L87 HydrophobicContact CE1-CD2 4.39Å; F52-L87 HydrophobicContact CE2-CD2 3.54Å; F52-L87 HydrophobicContact CG-CD2 4.1Å; F52-L87 HydrophobicContact CZ-CD2 3.96Å; F85-L87 HydrophobicContact CD2-CD2 4.24Å; F85-L87 HydrophobicContact CD2-CG 4.36Å; F85-L87 HydrophobicContact CE2-CD1 4.42Å; F85-L87 HydrophobicContact CE2-CD2 4.02Å; F85-L87 HydrophobicContact CE2-CG 3.99Å; L87-T95 CarbonylContact O-C 3.57Å; L87-T95 VanDerWaalsContact O-CA 3.31Å; L87-T95 WeakPolarHBondContact O-CA 3.35Å; L87-R96 PolarHBondContact N-O 3.46Å; L87-R96 PolarHBondContact O-N 3Å |
| 88 | T | 89.8 | Confident | 85 | Confident | 76 Ų | 76 | 56.3 Ų | 56.3 | 47% | 0.466 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 122.4 | 176.3 | -65.3 | 0 | 0 | 0 | 0 | 109 | K90 T95 | T88-K90 PolarHBondContact O-N 2.76Å; T88-T95 PolarHBondContact OG1-OG1 3.2Å |
| 89 | D | 83.7 | Confident | 87.1 | Confident | 67 Ų | 67 | 52.6 Ų | 52.6 | 36% | 0.358 | 27% | 0.27 | S | S | . | . | trans | -63.4 | 130.8 | 172.9 | 170.6 | 29.9 | 0 | 0 | 0 | 110 | D91 S92 S93 K94 | D89-D91 VanDerWaalsContact C-N 3.34Å; D89-D91 PolarHBondContact O-N 2.96Å; D89-D91 PolarHBondContact OD1-N 2.97Å; D89-D91 VanDerWaalsContact OD1-N 3.16Å; D89-S92 WeakPolarHBondContact OD2-CA 3.36Å; D89-S92 WeakPolarHBondContact OD2-CB 3.46Å; D89-S92 PolarHBondContact OD2-N 3.47Å; D89-S92 PolarHBondContact OD2-OG 3.42Å; D89-S93 WeakPolarHBondContact O-CA 3.35Å; D89-S93 PolarHBondContact O-N 3.31Å; D89-K94 PolarHBondContact N-O 3.01Å | ||
| 90 | K | 76.5 | Confident | 88.6 | Confident | 179 Ų | 179 | 43.2 Ų | 43.2 | 78% | 0.778 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -41.6 | -178.6 | -179.3 | -171 | 168.8 | -162.7 | 0 | 112 | T88 | T88-K90 PolarHBondContact O-N 2.76Š|
| 91 | D | 72.7 | Confident | 89.3 | Confident | 128 Ų | 128 | 41.2 Ų | 41.2 | 68% | 0.684 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -47.7 | -165.1 | -62.8 | -26.2 | 0 | 0 | 0 | 111.5 | D89 S93 | D89-D91 VanDerWaalsContact C-N 3.34Å; D89-D91 PolarHBondContact O-N 2.96Å; D89-D91 PolarHBondContact OD1-N 2.97Å; D89-D91 VanDerWaalsContact OD1-N 3.16Å; D91-S93 VanDerWaalsContact C-N 3.34Å |
| 92 | S | 74.2 | Confident | 89.7 | Confident | 43 Ų | 43 | 39 Ų | 39 | 30% | 0.301 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -14.2 | 173.2 | 74.4 | 0 | 0 | 0 | 0 | 114 | D89 K94 | D89-S92 WeakPolarHBondContact OD2-CA 3.36Å; D89-S92 WeakPolarHBondContact OD2-CB 3.46Å; D89-S92 PolarHBondContact OD2-N 3.47Å; D89-S92 PolarHBondContact OD2-OG 3.42Å; S92-K94 PolarHBondContact O-N 3.07Å; S92-K94 VanDerWaalsContact O-N 3.15Å; S92-K94 WeakPolarHBondContact OG-CB 3.28Å; S92-K94 WeakPolarHBondContact OG-CG 3.49Å; S92-K94 PolarHBondContact OG-N 2.96Å |
| 93 | S | 75.8 | Confident | 89.6 | Confident | 40 Ų | 40 | 38.3 Ų | 38.3 | 28% | 0.28 | 20% | 0.199 | S | C | . | . | trans | 57.2 | 18 | -170.5 | -55.7 | 0 | 0 | 0 | 0 | 114.3 | D89 D91 R1429 | D89-S93 WeakPolarHBondContact O-CA 3.35Å; D89-S93 PolarHBondContact O-N 3.31Å; D91-S93 VanDerWaalsContact C-N 3.34Å; S93-R1429 PolarHBondContact OG-NE 2.81Å; S93-R1429 VanDerWaalsContact OG-NE 3.12Å; S93-R1429 PolarHBondContact OG-NH2 3.29Å | ||
| 94 | K | 83.3 | Confident | 89.2 | Confident | 84 Ų | 84 | 41.3 Ų | 41.3 | 37% | 0.365 | 21% | 0.212 | S | C | . | . | trans | -79.2 | 127.8 | 174.2 | -67.1 | 179.9 | 175.3 | -171.9 | 0 | 110.4 | N3 D89 S92 | N3-K94 WeakPolarHBondContact OD1-CE 3.37Å; N3-K94 PolarHBondContact OD1-NZ 3.47Å; D89-K94 PolarHBondContact N-O 3.01Å; S92-K94 PolarHBondContact O-N 3.07Å; S92-K94 VanDerWaalsContact O-N 3.15Å; S92-K94 WeakPolarHBondContact OG-CB 3.28Å; S92-K94 WeakPolarHBondContact OG-CG 3.49Å; S92-K94 PolarHBondContact OG-N 2.96Å | ||
| 95 | T | 88.8 | Confident | 88.5 | Confident | 52 Ų | 52 | 42.3 Ų | 42.3 | 32% | 0.319 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 157.4 | 175 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | L87 T88 | L87-T95 CarbonylContact O-C 3.57Å; L87-T95 VanDerWaalsContact O-CA 3.31Å; L87-T95 WeakPolarHBondContact O-CA 3.35Å; T88-T95 PolarHBondContact OG1-OG1 3.2Å |
| 96 | R | 92.9 | Very high | 87.5 | Confident | 14 Ų | 14 | 44 Ų | 44 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 148.2 | 165.2 | -61.6 | -62.1 | -179.2 | -68.1 | -8.9 | 108.6 | F43 S86 L87 I173 T174 H175 | F43-R96 HydrophobicContact CD1-CG 4.47Å; F43-R96 HydrophobicContact CE1-CG 3.93Å; F43-R96 HydrophobicContact CE2-CG 4.13Å; F43-R96 HydrophobicContact CZ-CG 3.75Å; S86-R96 CarbonylContact C-O 3.46Å; S86-R96 WeakPolarHBondContact CA-O 3.42Å; S86-R96 WeakPolarHBondContact CB-O 3.33Å; L87-R96 PolarHBondContact N-O 3.46Å; L87-R96 PolarHBondContact O-N 3Å; R96-I173 HydrophobicContact CB-CG2 4.24Å; R96-T174 CarbonylContact C-O 3.29Å; R96-T174 WeakPolarHBondContact CA-O 3.36Å; R96-H175 PolarHBondContact NE-CD2 2.64Å; R96-H175 PolarHBondContact NE-ND1 3.43Å; R96-H175 PolarHBondContact NE-NE2 3.45Å |
| 97 | Y | 96 | Very high | 86.3 | Confident | 52 Ų | 52 | 44.6 Ų | 44.6 | 20% | 0.204 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 133.4 | 176.7 | -62 | -73.8 | 0 | 0 | 0 | 109.9 | L84 I173 T174 P177 | L84-Y97 HydrophobicContact CD1-CD1 4.21Å; Y97-I173 WeakPolarHBondContact O-CA 3.34Å; Y97-T174 PolarHBondContact N-O 3.01Å; Y97-T174 PolarHBondContact O-N 3.04Å; Y97-P177 HydrophobicContact CD2-CB 4.42Å; Y97-P177 HydrophobicContact CE2-CB 3.85Å |
| 98 | G | 96.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 109.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L84 F85 L172 | L84-G98 CarbonylContact C-O 3.35Å; L84-G98 WeakPolarHBondContact CA-O 3.49Å; F85-G98 VanDerWaalsContact CD1-O 3.3Å; F85-G98 WeakPolarHBondContact CD1-O 3.42Å; F85-G98 PolarHBondContact N-O 3.07Å; F85-G98 PolarHBondContact O-N 3.47Å; G98-L172 WeakPolarHBondContact CA-O 3.03Å |
| 99 | I | 97.5 | Very high | 83.1 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 116.9 | 177.3 | -66.5 | 74.6 | 0 | 0 | 0 | 106.9 | T82 L84 C171 L172 T174 F182 A183 V186 | T82-I99 HydrophobicContact CG2-CG2 4.25Å; L84-I99 HydrophobicContact CD1-CD1 3.78Å; L84-I99 HydrophobicContact CD1-CG1 3.91Å; I99-C171 CarbonylContact O-C 3.56Å; I99-C171 VanDerWaalsContact O-CA 3.27Å; I99-C171 WeakPolarHBondContact O-CA 3.1Å; I99-C171 PolarHBondContact O-SG 2.91Å; I99-C171 VanDerWaalsContact O-SG 3.34Å; I99-L172 HydrophobicContact CD1-CD2 4.36Å; I99-L172 PolarHBondContact N-O 2.85Å; I99-L172 PolarHBondContact O-N 2.86Å; I99-T174 HydrophobicContact CD1-CG2 4.25Å; I99-F182 HydrophobicContact CB-CB 4.43Å; I99-F182 HydrophobicContact CD1-CB 4.04Å; I99-F182 HydrophobicContact CD1-CD2 4.25Å; I99-F182 HydrophobicContact CG1-CB 3.89Å; I99-A183 HydrophobicContact CG2-CB 4.3Å; I99-V186 HydrophobicContact CG2-CB 4.48Å; I99-V186 HydrophobicContact CG2-CG2 4.04Å |
| 100 | C | 97.1 | Very high | 81.3 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 136.5 | -172.9 | -165 | 0 | 0 | 0 | 0 | 111.6 | T82 F83 F85 N102 I170 C171 | T82-C100 CarbonylContact C-O 3.52Å; T82-C100 VanDerWaalsContact CA-O 3.27Å; T82-C100 WeakPolarHBondContact CA-O 3.41Å; F83-C100 HydrophobicContact CD1-CB 4.5Å; F83-C100 HydrophobicContact CE1-CB 3.99Å; F83-C100 HydrophobicContact CE2-CB 4.09Å; F83-C100 HydrophobicContact CZ-CB 3.77Å; F83-C100 PolarHBondContact N-O 3.41Å; F83-C100 PolarHBondContact O-N 2.9Å; F85-C100 HydrophobicContact CD1-CB 4.45Å; F85-C100 HydrophobicContact CE1-CB 4.09Å; C100-N102 PolarHBondContact SG-OD1 2.92Å; C100-I170 WeakPolarHBondContact CA-O 3.47Å; C100-C171 HydrophobicContact CB-CB 4.28Å |
| 101 | T | 95.5 | Very high | 79.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 118.1 | 170.4 | -63.1 | 0 | 0 | 0 | 0 | 110.6 | M81 T82 S169 I170 V186 Y190 | M81-T101 CarbonylContact O-C 3.59Å; M81-T101 WeakPolarHBondContact O-CA 3.4Å; T82-T101 WeakPolarHBondContact CB-OG1 3.16Å; T82-T101 WeakPolarHBondContact CG2-OG1 3.21Å; T82-T101 PolarHBondContact OG1-OG1 3.4Å; T101-S169 WeakPolarHBondContact O-CA 3.47Å; T101-I170 PolarHBondContact N-O 2.91Å; T101-I170 PolarHBondContact O-N 3.42Å; T101-V186 WeakPolarHBondContact OG1-CG1 3.35Å; T101-Y190 HydrophobicContact CG2-CD1 4.47Å |
| 102 | N | 93.4 | Very high | 77.9 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 8% | 0.08 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 137.2 | -179.1 | -71.2 | 8.1 | 0 | 0 | 0 | 111 | C53 S80 M81 C100 L167 S169 | C53-N102 PolarHBondContact O-ND2 2.71Å; C53-N102 PolarHBondContact O-OD1 3.23Å; C53-N102 VanDerWaalsContact O-OD1 3.05Å; S80-N102 VanDerWaalsContact CA-O 3.28Å; S80-N102 WeakPolarHBondContact CA-O 3.2Å; S80-N102 WeakPolarHBondContact CB-O 3.49Å; M81-N102 PolarHBondContact N-O 3.12Å; M81-N102 PolarHBondContact O-N 3.45Å; C100-N102 PolarHBondContact SG-OD1 2.92Å; N102-L167 HydrophobicContact CB-CD1 4.22Å; N102-S169 VanDerWaalsContact CG-OG 3.31Å; N102-S169 VanDerWaalsContact OD1-CB 3.27Å; N102-S169 WeakPolarHBondContact OD1-CB 3.39Å; N102-S169 PolarHBondContact OD1-OG 3.28Å |
| 103 | F | 91.2 | Very high | 75.8 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 4% | 0.039 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 164 | -178.8 | 55.9 | -87.6 | 0 | 0 | 0 | 110.7 | T168 I170 Y190 W211 | F103-T168 WeakPolarHBondContact CD1-O 3.48Å; F103-T168 HydrophobicContact CE2-CG2 3.81Å; F103-T168 HydrophobicContact CZ-CG2 3.66Å; F103-T168 PolarHBondContact N-O 3.43Å; F103-T168 PolarHBondContact O-N 3.3Å; F103-I170 HydrophobicContact CE1-CB 4.48Å; F103-I170 HydrophobicContact CE1-CD1 3.64Å; F103-I170 HydrophobicContact CE1-CG1 3.77Å; F103-I170 HydrophobicContact CZ-CD1 4.01Å; F103-I170 HydrophobicContact CZ-CG1 4.1Å; F103-Y190 HydrophobicContact CB-CE2 3.97Å; F103-Y190 AromaticContact CD1-CD2 3.86Å; F103-Y190 HydrophobicContact CD1-CD2 3.86Å; F103-Y190 AromaticContact CD1-CE2 3.69Å; F103-Y190 HydrophobicContact CD1-CE2 3.69Å; F103-Y190 AromaticContact CD2-CE2 3.77Å; F103-Y190 HydrophobicContact CD2-CE2 3.77Å; F103-Y190 AromaticContact CE1-CD2 3.97Å; F103-Y190 HydrophobicContact CE1-CD2 3.97Å; F103-Y190 HydrophobicContact CE1-CE2 4.14Å; F103-Y190 HydrophobicContact CE2-CE2 4.2Å; F103-Y190 HydrophobicContact CG-CD2 4.16Å; F103-Y190 AromaticContact CG-CE2 3.5Å; F103-Y190 HydrophobicContact CG-CE2 3.5Å; F103-Y190 VanDerWaalsContact CG-CE2 3.5Å; F103-Y190 AromaticContact CG-CZ 3.9Å; F103-Y190 HydrophobicContact CZ-CD2 4.34Å; F103-Y190 HydrophobicContact CZ-CE2 4.37Å; F103-W211 AromaticContact CE2-CH2 3.87Å; F103-W211 HydrophobicContact CE2-CH2 3.87Å; F103-W211 AromaticContact CE2-CZ2 3.59Å; F103-W211 HydrophobicContact CE2-CZ2 3.59Å; F103-W211 AromaticContact CZ-CH2 3.76Å; F103-W211 HydrophobicContact CZ-CH2 3.76Å; F103-W211 AromaticContact CZ-CZ2 3.93Å; F103-W211 HydrophobicContact CZ-CZ2 3.93Å |
| 104 | F | 86.7 | Confident | 73.6 | Confident | 66 Ų | 66 | 62.1 Ų | 62.1 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 113.1 | 178.4 | -80.3 | -86.6 | 0 | 0 | 0 | 111.3 | A61 I78 Y165 N166 L167 | A61-F104 HydrophobicContact CB-CD1 4.33Å; A61-F104 HydrophobicContact CB-CE1 4.02Å; I78-F104 HydrophobicContact CD1-CB 4.18Å; I78-F104 HydrophobicContact CG2-CD2 3.84Å; F104-Y165 HydrophobicContact CB-CD1 4.48Å; F104-N166 WeakPolarHBondContact CA-O 3.37Å; F104-L167 HydrophobicContact CD2-CD1 4.4Å; F104-L167 HydrophobicContact CE1-CB 4.27Å; F104-L167 HydrophobicContact CE1-CD1 4.41Å; F104-L167 HydrophobicContact CE2-CD1 4.02Å; F104-L167 HydrophobicContact CZ-CD1 4.03Å |
| 105 | R | 81.8 | Confident | 70.9 | Confident | 26 Ų | 26 | 64.2 Ų | 64.2 | 10% | 0.098 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 131.3 | 173.4 | 165 | 179.9 | 164.6 | 166.8 | -4.2 | 109.8 | Y165 N166 T168 W211 D212 T215 | R105-Y165 CarbonylContact O-C 3.52Å; R105-Y165 VanDerWaalsContact O-CA 3.25Å; R105-Y165 WeakPolarHBondContact O-CA 3.34Å; R105-N166 PolarHBondContact N-O 2.92Å; R105-N166 PolarHBondContact O-N 3.32Å; R105-T168 WeakPolarHBondContact CB-OG1 3.3Å; R105-W211 HydrophobicContact CG-CD2 4.31Å; R105-W211 HydrophobicContact CG-CG 4.24Å; R105-W211 VanDerWaalsContact CZ-CB 3.46Å; R105-W211 VanDerWaalsContact CZ-O 3.26Å; R105-W211 PolarHBondContact NH1-O 3.23Å; R105-W211 PolarHBondContact NH2-O 3.48Å; R105-D212 IonicContact NH2-OD1 3.59Å; R105-D212 PolarHBondContact NH2-OD1 3.29Å; R105-T215 PolarHBondContact NH2-OG1 3.08Å |
| 106 | P | 74.6 | Confident | 68 | Low | 35 Ų | 35 | 67.7 Ų | 67.7 | 23% | 0.227 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 141.3 | 168.5 | 30.4 | -33.7 | 0 | 0 | 0 | 111.1 | Y165 H197 | P106-Y165 HydrophobicContact CB-CD1 4.04Å; P106-Y165 HydrophobicContact CB-CE1 3.87Å; P106-H197 WeakPolarHBondContact CG-NE2 3.46Å |
| 107 | V | 70.6 | Confident | 64.8 | Low | 24 Ų | 24 | 78.7 Ų | 78.7 | 15% | 0.145 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128.8 | -177.1 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | P20 V109 V164 N166 | P20-V107 HydrophobicContact CB-CG1 4.5Å; P20-V107 HydrophobicContact CB-CG2 4.44Å; P20-V107 HydrophobicContact CG-CB 4.44Å; P20-V107 HydrophobicContact CG-CG1 3.59Å; P20-V107 HydrophobicContact CG-CG2 4.05Å; V107-V109 PolarHBondContact O-N 2.94Å; V107-V164 PolarHBondContact N-O 2.66Å; V107-N166 HydrophobicContact CG2-CB 3.8Å |
| 108 | N | 61.7 | Low | 61.5 | Low | 103 Ų | 103 | 81 Ų | 81 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | trans | -80.3 | 106.4 | 169.4 | -80.6 | -31.4 | 0 | 0 | 0 | 110.2 | K110 | N108-K110 PolarHBondContact O-N 3.28Š| ||
| 109 | V | 54.1 | Low | 58.2 | Low | 94 Ų | 94 | 88.5 Ų | 88.5 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -69.8 | 7.8 | -175.9 | -165.6 | 0 | 0 | 0 | 0 | 113.7 | V107 V164 | V107-V109 PolarHBondContact O-N 2.94Å; V109-V164 HydrophobicContact CG2-CB 4.18Å; V109-V164 HydrophobicContact CG2-CG2 3.84Å |
| 110 | K | 46.7 | Very low | 55 | Low | 171 Ų | 171 | 94 Ų | 94 | 74% | 0.743 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -83.9 | -8 | -174.8 | -73.8 | -171.4 | 176 | -176.9 | 0 | 115.3 | N108 | N108-K110 PolarHBondContact O-N 3.28Š|
| 111 | S | 39.7 | Very low | 52 | Low | 92 Ų | 92 | 105.5 Ų | 105.5 | 64% | 0.643 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -90.8 | -7.9 | -170.7 | 50.4 | 0 | 0 | 0 | 0 | 115.8 | S113 | S111-S113 PolarHBondContact O-N 3.24Š|
| 112 | V | 37.8 | Very low | 48.9 | Very low | 116 Ų | 116 | 112.8 Ų | 112.8 | 70% | 0.703 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -97.3 | 36.8 | -166.7 | -158.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 113 | S | 29.5 | Very low | 45.9 | Very low | 105 Ų | 105 | 119 Ų | 119 | 73% | 0.734 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -151 | 43 | -176.5 | 58.9 | 0 | 0 | 0 | 0 | 115.2 | S111 | S111-S113 PolarHBondContact O-N 3.24Š|
| 114 | R | 29.5 | Very low | 43.2 | Very low | 243 Ų | 243 | 124 Ų | 124 | 92% | 0.917 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -147.3 | 26.2 | 174.8 | -124.2 | 174.7 | -165.2 | -175 | 3.6 | 118.1 | ||
| 115 | T | 27.4 | Very low | 40.6 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 79% | 0.791 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -137.8 | 158.9 | 168.7 | 39.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 116 | T | 27.1 | Very low | 38.1 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 77% | 0.767 | 70% | 0.698 | S | S | * | * | trans | 55.5 | 79.7 | 177.7 | 48.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 117 | Y | 26.8 | Very low | 36.1 | Very low | 245 Ų | 245 | 137.3 Ų | 137.3 | 96% | 0.961 | 72% | 0.718 | S | S | * | * | trans | -143.2 | 83.6 | 140.6 | -98.1 | -70.4 | 0 | 0 | 0 | 109.7 | ||||
| 118 | S | 25.7 | Very low | 34.1 | Very low | 99 Ų | 99 | 143.7 Ų | 143.7 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | -156.8 | 83.5 | 175.9 | 57.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 119 | N | 28.8 | Very low | 32.7 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | trans | -176.7 | 136.9 | 136.8 | -96.2 | -12.7 | 0 | 0 | 0 | 113.4 | ||||
| 120 | V | 30.2 | Very low | 31.4 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | trans | 55.1 | 109.8 | 150.5 | -174.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 121 | R | 32.4 | Very low | 30.6 | Very low | 240 Ų | 240 | 143 Ų | 143 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | -153.8 | 149.2 | 119.8 | -113.2 | 172.4 | -175.8 | 166.3 | 3.6 | 111.1 | |||||
| 122 | E | 32.2 | Very low | 30.1 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -80.3 | 160.5 | -170.6 | -59.7 | 112.4 | 133.9 | 0 | 0 | 114.7 | ||||
| 123 | D | 28.7 | Very low | 29.5 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | 34.8 | 127.6 | 149.7 | -54.5 | -16.9 | 0 | 0 | 0 | 119.3 | ||||
| 124 | T | 35.2 | Very low | 30 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 69% | 0.693 | 79% | 0.786 | S | S | * | * | -163 | 153.1 | 58.3 | 41.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 125 | H | 31.4 | Very low | 29.9 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | 33.7 | 120 | 147.6 | -59.4 | -61.2 | 0 | 0 | 0 | 119.4 | ||||
| 126 | F | 30.8 | Very low | 29.7 | Very low | 194 Ų | 194 | 142.2 Ų | 142.2 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | cis | -161.3 | 173.8 | 8.1 | -86.5 | -60.4 | 0 | 0 | 0 | 107.9 | ||||
| 127 | G | 30.8 | Very low | 29.5 | Very low | 64 Ų | 64 | 141.4 Ų | 141.4 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | cis | 157.3 | -178.9 | -1.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 128 | N | 29.7 | Very low | 29.4 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | 61.8 | 113.5 | 172.9 | -81.1 | 9 | 0 | 0 | 0 | 121.5 | ||||
| 129 | V | 32 | Very low | 29.3 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | 61.6 | 112.9 | 145.9 | -168.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 130 | S | 26.7 | Very low | 29.3 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | cis | 109.6 | 147.7 | 15.4 | -164.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 131 | V | 29.6 | Very low | 29 | Very low | 116 Ų | 116 | 140 Ų | 140 | 70% | 0.703 | 78% | 0.783 | S | S | * | * | trans | 89.9 | 115.1 | 165.5 | -170.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 132 | N | 29.2 | Very low | 28.7 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | 76.9 | 157 | 152.7 | -66.9 | -5.2 | 0 | 0 | 0 | 122.9 | ||||
| 133 | G | 26.6 | Very low | 28.5 | Very low | 69 Ų | 69 | 139.3 Ų | 139.3 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -128.5 | -142 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 134 | P | 39.6 | Very low | 28.4 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | -125.2 | 150.7 | -117 | 38.9 | -26.5 | 0 | 0 | 0 | 117.4 | |||||
| 135 | V | 27 | Very low | 28.1 | Very low | 149 Ų | 149 | 139.7 Ų | 139.7 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | trans | -144 | 162.3 | 166.6 | -176.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 136 | L | 23.9 | Very low | 28 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -92.3 | 172.7 | -172 | -71.6 | 105.8 | 0 | 0 | 0 | 116.4 | ||||
| 137 | C | 23 | Very low | 27.7 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | trans | 94.1 | 103.2 | 144 | -79.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 138 | S | 23.3 | Very low | 27.7 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | 90.4 | 152.2 | 114.6 | -59.2 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 139 | D | 25.2 | Very low | 27.6 | Very low | 154 Ų | 154 | 139.3 Ų | 139.3 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | 65.3 | 118.3 | 159.2 | -56.3 | -17.3 | 0 | 0 | 0 | 121.7 | ||||
| 140 | E | 27.5 | Very low | 27.4 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | -159 | 176.6 | 92.8 | -124.9 | -167 | 174.1 | 0 | 0 | 112.7 | |||||
| 141 | L | 24.7 | Very low | 27.6 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -139.6 | 160.7 | -166.3 | -123.5 | 172 | 0 | 0 | 0 | 113 | ||||
| 142 | N | 26.2 | Very low | 27.6 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | trans | 75 | 125.7 | 165.3 | -58.9 | -53.8 | 0 | 0 | 0 | 120.6 | ||||
| 143 | R | 28.4 | Very low | 27.5 | Very low | 255 Ų | 255 | 142.5 Ų | 142.5 | 96% | 0.962 | 78% | 0.779 | S | S | * | * | -153 | 160.3 | 114.9 | -105.1 | 170.9 | -164 | -147.1 | 2.1 | 110.4 | |||||
| 144 | L | 26.4 | Very low | 27.8 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -143.8 | 164.7 | -159.3 | -108 | 172.9 | 0 | 0 | 0 | 112.3 | ||||
| 145 | N | 29.1 | Very low | 27.3 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 65% | 0.652 | 78% | 0.777 | S | S | * | * | trans | 66.8 | 152.9 | 171.5 | -60.8 | 28.3 | 0 | 0 | 0 | 115.6 | ||||
| 146 | E | 27.6 | Very low | 27.5 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | cis | -166.7 | 164.1 | -14.7 | -108.8 | -179.7 | 88.8 | 0 | 0 | 108.3 | ||||
| 147 | S | 25.3 | Very low | 27.7 | Very low | 90 Ų | 90 | 142.3 Ų | 142.3 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | cis | -132 | -120.4 | -11.3 | 45.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 148 | T | 31.9 | Very low | 28.2 | Very low | 123 Ų | 123 | 145 Ų | 145 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | cis | -152 | -156.4 | -0.4 | -32.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 149 | Q | 26.8 | Very low | 28.7 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -88.8 | 148.7 | 179.3 | -64.6 | 162.6 | -14.2 | 0 | 0 | 111.1 | ||||
| 150 | D | 27.6 | Very low | 29.1 | Very low | 121 Ų | 121 | 149.9 Ų | 149.9 | 65% | 0.647 | 79% | 0.79 | S | S | * | * | -170.2 | 160.6 | 62.5 | -166.5 | 13.2 | 0 | 0 | 0 | 114 | |||||
| 151 | K | 30.5 | Very low | 29.8 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | 63.9 | 133.1 | 162.9 | -79.5 | 148.7 | -169.9 | 139.4 | 0 | 123.2 | ||||
| 152 | S | 30.5 | Very low | 30.9 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | 78.6 | 114.6 | 155.5 | 70.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 153 | L | 27.3 | Very low | 32.6 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 94% | 0.937 | 77% | 0.766 | S | S | * | * | trans | -99.2 | 129.4 | 163.8 | -63.6 | 97 | 0 | 0 | 0 | 109.8 | ||||
| 154 | S | 31.5 | Very low | 34.7 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | trans | -156.6 | 128.7 | 150.6 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 155 | S | 29 | Very low | 37.3 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | trans | 35.5 | 84.4 | 155.9 | 57.1 | 0 | 0 | 0 | 0 | 118.8 | K157 | S155-K157 PolarHBondContact O-N 2.93Š| ||
| 156 | G | 32 | Very low | 39.9 | Very low | 75 Ų | 75 | 120.7 Ų | 120.7 | 77% | 0.773 | 67% | 0.673 | S | S | * | * | trans | -62.8 | 126.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L158 | G156-L158 PolarHBondContact O-N 2.88Å; G156-L158 VanDerWaalsContact O-N 3.14Å | ||
| 157 | K | 28.6 | Very low | 42.9 | Very low | 208 Ų | 208 | 114 Ų | 114 | 90% | 0.904 | 64% | 0.643 | S | S | * | * | trans | -72.8 | 102.2 | -178 | -69 | 175.6 | 179.6 | 172.9 | 0 | 111.3 | S155 | S155-K157 PolarHBondContact O-N 2.93Š| ||
| 158 | L | 33.3 | Very low | 46.1 | Very low | 164 Ų | 164 | 109.8 Ų | 109.8 | 86% | 0.859 | 61% | 0.614 | S | S | * | * | trans | -65.3 | 141.6 | 162.6 | -117 | 75.1 | 0 | 0 | 0 | 110 | G156 N160 | G156-L158 PolarHBondContact O-N 2.88Å; G156-L158 VanDerWaalsContact O-N 3.14Å; L158-N160 PolarHBondContact O-N 3.41Å | ||
| 159 | K | 33.1 | Very low | 49.1 | Very low | 204 Ų | 204 | 104 Ų | 104 | 89% | 0.887 | 58% | 0.578 | S | S | * | * | trans | -75.5 | 108.9 | 177.4 | -66.4 | 175.8 | -179.7 | 174.9 | 0 | 109.5 | A161 | K159-A161 PolarHBondContact O-N 3.33Š| ||
| 160 | N | 33.6 | Very low | 52.3 | Low | 153 Ų | 153 | 95.4 Ų | 95.4 | 82% | 0.818 | 54% | 0.538 | S | S | * | . | trans | -61.5 | 118.2 | 167.5 | -88 | -2.4 | 0 | 0 | 0 | 109.5 | L158 | L158-N160 PolarHBondContact O-N 3.41Š| ||
| 161 | A | 42.6 | Very low | 55.7 | Low | 87 Ų | 87 | 89.6 Ų | 89.6 | 72% | 0.719 | 51% | 0.507 | S | S | * | . | trans | -76.4 | 123.9 | 167 | 0 | 0 | 0 | 0 | 0 | 109 | K159 S163 | K159-A161 PolarHBondContact O-N 3.33Å; A161-S163 PolarHBondContact O-N 2.78Å | ||
| 162 | N | 48.9 | Very low | 58.8 | Low | 139 Ų | 139 | 81.7 Ų | 81.7 | 74% | 0.743 | 47% | 0.472 | S | S | * | . | trans | -68.6 | 92 | 174.7 | -79.4 | -12.8 | 0 | 0 | 0 | 109.8 | V164 | N162-V164 PolarHBondContact O-N 2.86Š| ||
| 163 | S | 60.5 | Low | 62 | Low | 53 Ų | 53 | 76.1 Ų | 76.1 | 37% | 0.371 | 43% | 0.433 | S | S | . | . | trans | -65.8 | 114 | 172.8 | -64.8 | 0 | 0 | 0 | 0 | 109.5 | A161 | A161-S163 PolarHBondContact O-N 2.78Š| ||
| 164 | V | 72.1 | Confident | 65.3 | Low | 27 Ų | 27 | 67.6 Ų | 67.6 | 16% | 0.164 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 141.3 | 169.5 | 179.2 | 0 | 0 | 0 | 0 | 108 | N60 V107 V109 N162 | N60-V164 HydrophobicContact CB-CG1 4.34Å; V107-V164 PolarHBondContact N-O 2.66Å; V109-V164 HydrophobicContact CG2-CB 4.18Å; V109-V164 HydrophobicContact CG2-CG2 3.84Å; N162-V164 PolarHBondContact O-N 2.86Å |
| 165 | Y | 81.2 | Confident | 68.2 | Low | 62 Ų | 62 | 64.2 Ų | 64.2 | 24% | 0.243 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132 | 176.7 | -64.7 | -100.3 | 0 | 0 | 0 | 109.9 | N60 A61 F66 F104 R105 P106 | N60-Y165 CarbonylContact C-O 3.38Å; N60-Y165 WeakPolarHBondContact CA-O 3.16Å; A61-Y165 PolarHBondContact N-O 3.01Å; A61-Y165 PolarHBondContact O-N 2.64Å; F66-Y165 HydrophobicContact CE2-CD2 4.22Å; F66-Y165 HydrophobicContact CE2-CE2 4.15Å; F66-Y165 AromaticContact CZ-CD2 3.63Å; F66-Y165 HydrophobicContact CZ-CD2 3.63Å; F66-Y165 AromaticContact CZ-CE2 3.89Å; F66-Y165 HydrophobicContact CZ-CE2 3.89Å; F66-Y165 HydrophobicContact CZ-CG 4.09Å; F104-Y165 HydrophobicContact CB-CD1 4.48Å; R105-Y165 CarbonylContact O-C 3.52Å; R105-Y165 VanDerWaalsContact O-CA 3.25Å; R105-Y165 WeakPolarHBondContact O-CA 3.34Å; P106-Y165 HydrophobicContact CB-CD1 4.04Å; P106-Y165 HydrophobicContact CB-CE1 3.87Å |
| 166 | N | 85.1 | Confident | 71.3 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 142.5 | 177.6 | -172.1 | 10.9 | 0 | 0 | 0 | 110.6 | P20 C58 N60 F104 R105 V107 T168 | P20-N166 HydrophobicContact CB-CB 4.35Å; C58-N166 PolarHBondContact SG-OD1 3.15Å; N60-N166 VanDerWaalsContact OD1-CB 3.24Å; N60-N166 WeakPolarHBondContact OD1-CB 3.45Å; N60-N166 PolarHBondContact OD1-OD1 3.4Å; N60-N166 VanDerWaalsContact OD1-OD1 3.06Å; F104-N166 WeakPolarHBondContact CA-O 3.37Å; R105-N166 PolarHBondContact N-O 2.92Å; R105-N166 PolarHBondContact O-N 3.32Å; V107-N166 HydrophobicContact CG2-CB 3.8Å; N166-T168 PolarHBondContact O-N 3.29Å |
| 167 | L | 90.1 | Very high | 74.2 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 121.3 | 172.5 | -170.9 | 65.3 | 0 | 0 | 0 | 110.4 | Q54 C58 I59 N102 F104 | Q54-L167 HydrophobicContact CB-CD2 4.44Å; Q54-L167 HydrophobicContact CG-CD2 4.17Å; Q54-L167 PolarHBondContact NE2-O 3.16Å; C58-L167 PolarHBondContact SG-O 3.25Å; C58-L167 VanDerWaalsContact SG-O 3.38Å; I59-L167 PolarHBondContact O-N 2.94Å; I59-L167 VanDerWaalsContact O-N 3.12Å; N102-L167 HydrophobicContact CB-CD1 4.22Å; F104-L167 HydrophobicContact CD2-CD1 4.4Å; F104-L167 HydrophobicContact CE1-CB 4.27Å; F104-L167 HydrophobicContact CE1-CD1 4.41Å; F104-L167 HydrophobicContact CE2-CD1 4.02Å; F104-L167 HydrophobicContact CZ-CD1 4.03Å |
| 168 | T | 91.5 | Very high | 77.3 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 148.2 | 178.7 | -55.2 | 0 | 0 | 0 | 0 | 109.4 | V15 F103 R105 N166 W211 | V15-T168 WeakPolarHBondContact O-CA 3.41Å; F103-T168 WeakPolarHBondContact CD1-O 3.48Å; F103-T168 HydrophobicContact CE2-CG2 3.81Å; F103-T168 HydrophobicContact CZ-CG2 3.66Å; F103-T168 PolarHBondContact N-O 3.43Å; F103-T168 PolarHBondContact O-N 3.3Å; R105-T168 WeakPolarHBondContact CB-OG1 3.3Å; N166-T168 PolarHBondContact O-N 3.29Å; T168-W211 HydrophobicContact CG2-CH2 4.07Å; T168-W211 HydrophobicContact CG2-CZ3 4.26Å |
| 169 | S | 94.5 | Very high | 80.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.9 | -174 | -56 | 0 | 0 | 0 | 0 | 111.1 | L14 V15 C53 Q54 T101 N102 | L14-S169 WeakPolarHBondContact CA-O 3.45Å; V15-S169 PolarHBondContact N-O 2.83Å; V15-S169 PolarHBondContact O-N 3.26Å; C53-S169 PolarHBondContact O-OG 3.35Å; Q54-S169 VanDerWaalsContact CG-OG 3.22Å; Q54-S169 WeakPolarHBondContact CG-OG 3.43Å; Q54-S169 PolarHBondContact NE2-OG 3.32Å; T101-S169 WeakPolarHBondContact O-CA 3.47Å; N102-S169 VanDerWaalsContact CG-OG 3.31Å; N102-S169 VanDerWaalsContact OD1-CB 3.27Å; N102-S169 WeakPolarHBondContact OD1-CB 3.39Å; N102-S169 PolarHBondContact OD1-OG 3.28Å |
| 170 | I | 95.4 | Very high | 83 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 126.7 | 162.3 | -62.8 | 151.4 | 0 | 0 | 0 | 106.8 | F12 L14 C100 T101 F103 V186 V189 Y190 L193 | F12-I170 HydrophobicContact CD1-CG2 4.25Å; F12-I170 HydrophobicContact CE1-CG2 4.29Å; L14-I170 HydrophobicContact CD2-CB 4.34Å; L14-I170 HydrophobicContact CD2-CG1 3.52Å; C100-I170 WeakPolarHBondContact CA-O 3.47Å; T101-I170 PolarHBondContact N-O 2.91Å; T101-I170 PolarHBondContact O-N 3.42Å; F103-I170 HydrophobicContact CE1-CB 4.48Å; F103-I170 HydrophobicContact CE1-CD1 3.64Å; F103-I170 HydrophobicContact CE1-CG1 3.77Å; F103-I170 HydrophobicContact CZ-CD1 4.01Å; F103-I170 HydrophobicContact CZ-CG1 4.1Å; I170-V186 HydrophobicContact CB-CG1 4.24Å; I170-V186 HydrophobicContact CG2-CG1 3.94Å; I170-V189 HydrophobicContact CG2-CG1 4.31Å; I170-Y190 HydrophobicContact CD1-CD2 3.96Å; I170-Y190 HydrophobicContact CD1-CG 4.23Å; I170-L193 HydrophobicContact CD1-CD2 4.28Å |
| 171 | C | 97.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 141.5 | 176.8 | -170.6 | 0 | 0 | 0 | 0 | 112.3 | F12 V13 C53 I99 C100 | F12-C171 CarbonylContact C-O 3.55Å; F12-C171 WeakPolarHBondContact CA-O 2.95Å; V13-C171 PolarHBondContact N-O 2.8Å; V13-C171 PolarHBondContact O-N 3.27Å; C53-C171 WeakPolarHBondContact SG-CB 3.5Å; I99-C171 CarbonylContact O-C 3.56Å; I99-C171 VanDerWaalsContact O-CA 3.27Å; I99-C171 WeakPolarHBondContact O-CA 3.1Å; I99-C171 PolarHBondContact O-SG 2.91Å; I99-C171 VanDerWaalsContact O-SG 3.34Å; C100-C171 HydrophobicContact CB-CB 4.28Å |
| 172 | L | 97.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 129.7 | 171.8 | 178.2 | 160.6 | 0 | 0 | 0 | 108.5 | I9 F12 G98 I99 T174 F182 L185 V186 | I9-L172 HydrophobicContact CD1-CD1 3.95Å; I9-L172 HydrophobicContact CG1-CD1 4.27Å; I9-L172 HydrophobicContact CG2-CD1 4.23Å; I9-L172 HydrophobicContact CG2-CD2 4.2Å; I9-L172 HydrophobicContact CG2-CG 3.8Å; F12-L172 HydrophobicContact CD1-CB 4.36Å; F12-L172 HydrophobicContact CE1-CB 4.04Å; F12-L172 HydrophobicContact CE1-CD1 4.29Å; F12-L172 HydrophobicContact CE2-CD1 4.12Å; F12-L172 HydrophobicContact CZ-CB 4.31Å; F12-L172 HydrophobicContact CZ-CD1 3.74Å; F12-L172 HydrophobicContact CZ-CG 4.31Å; G98-L172 WeakPolarHBondContact CA-O 3.03Å; I99-L172 HydrophobicContact CD1-CD2 4.36Å; I99-L172 PolarHBondContact N-O 2.85Å; I99-L172 PolarHBondContact O-N 2.86Å; L172-T174 HydrophobicContact CD2-CG2 3.64Å; L172-F182 HydrophobicContact CD1-CB 4.28Å; L172-F182 HydrophobicContact CD1-CD1 3.65Å; L172-F182 HydrophobicContact CD1-CE1 4.27Å; L172-F182 HydrophobicContact CD1-CG 4.16Å; L172-F182 HydrophobicContact CD2-CB 4.29Å; L172-F182 HydrophobicContact CD2-CD1 3.99Å; L172-F182 HydrophobicContact CD2-CD2 4.25Å; L172-F182 HydrophobicContact CD2-CE1 4.36Å; L172-F182 HydrophobicContact CD2-CG 3.94Å; L172-L185 HydrophobicContact CD1-CD2 3.81Å; L172-L185 HydrophobicContact CD1-CG 4.39Å; L172-V186 HydrophobicContact CB-CG2 3.59Å; L172-V186 HydrophobicContact CD1-CG2 4.16Å |
| 173 | I | 97.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.5 | 174.6 | -49.4 | -60.2 | 0 | 0 | 0 | 109.8 | D10 Y11 F43 L45 V49 F85 R96 Y97 | D10-I173 PolarHBondContact N-O 2.95Å; Y11-I173 PolarHBondContact N-O 3.22Å; Y11-I173 PolarHBondContact O-N 2.95Å; F43-I173 HydrophobicContact CE1-CG2 3.9Å; F43-I173 HydrophobicContact CZ-CG2 4.41Å; L45-I173 HydrophobicContact CD1-CG1 4.28Å; V49-I173 HydrophobicContact CG2-CD1 3.77Å; V49-I173 HydrophobicContact CG2-CG1 4.48Å; F85-I173 HydrophobicContact CE2-CD1 4.36Å; F85-I173 HydrophobicContact CZ-CD1 4.03Å; R96-I173 HydrophobicContact CB-CG2 4.24Å; Y97-I173 WeakPolarHBondContact O-CA 3.34Å |
| 174 | T | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 158.2 | -176.3 | -179.9 | 0 | 0 | 0 | 0 | 112.4 | L8 D10 R96 Y97 I99 L172 Y176 F182 | L8-T174 PolarHBondContact O-OG1 2.68Å; D10-T174 WeakPolarHBondContact OD2-CA 3.28Å; R96-T174 CarbonylContact C-O 3.29Å; R96-T174 WeakPolarHBondContact CA-O 3.36Å; Y97-T174 PolarHBondContact N-O 3.01Å; Y97-T174 PolarHBondContact O-N 3.04Å; I99-T174 HydrophobicContact CD1-CG2 4.25Å; L172-T174 HydrophobicContact CD2-CG2 3.64Å; T174-Y176 VanDerWaalsContact C-N 3.31Å; T174-Y176 WeakPolarHBondContact CG2-O 3.3Å; T174-Y176 PolarHBondContact OG1-N 3.12Å; T174-F182 HydrophobicContact CG2-CD2 3.7Å; T174-F182 HydrophobicContact CG2-CE2 3.39Å; T174-F182 HydrophobicContact CG2-CZ 4.1Å |
| 175 | H | 92.8 | Very high | 93.1 | Very high | 38 Ų | 38 | 21.2 Ų | 21.2 | 18% | 0.176 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -72.7 | -20.5 | 166.2 | -69.8 | 70.8 | 0 | 0 | 0 | 113.3 | C5 R7 D10 D42 R96 | C5-H175 HydrophobicContact CB-CB 4.28Å; C5-H175 PolarHBondContact SG-NE2 2.93Å; C5-H175 VanDerWaalsContact SG-NE2 3.43Å; R7-H175 PolarHBondContact NH2-NE2 3.34Å; D10-H175 VanDerWaalsContact CG-NE2 3.32Å; D10-H175 IonicContact OD1-CE1 3.61Å; D10-H175 PolarHBondContact OD1-CE1 3.19Å; D10-H175 IonicContact OD1-ND1 3.26Å; D10-H175 PolarHBondContact OD1-ND1 2.98Å; D10-H175 IonicContact OD1-NE2 3.54Å; D10-H175 PolarHBondContact OD1-NE2 3.14Å; D10-H175 CovalentContact OD2-CE1 1.83Å; D10-H175 IonicContact OD2-CE1 2.66Å; D10-H175 PolarHBondContact OD2-CE1 3.03Å; D10-H175 IonicContact OD2-CG 3.29Å; D10-H175 PolarHBondContact OD2-N 2.66Å; D10-H175 IonicContact OD2-ND1 3.07Å; D10-H175 PolarHBondContact OD2-ND1 2.87Å; D10-H175 IonicContact OD2-NE2 2.72Å; D10-H175 PolarHBondContact OD2-NE2 3.28Å; D42-H175 IonicContact OD2-NE2 3.44Å; R96-H175 PolarHBondContact NE-CD2 2.64Å; R96-H175 PolarHBondContact NE-ND1 3.43Å; R96-H175 PolarHBondContact NE-NE2 3.45Å |
| 176 | Y | 94.1 | Very high | 93.7 | Very high | 17 Ų | 17 | 18.3 Ų | 18.3 | 7% | 0.067 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -102.3 | 138.6 | -160.1 | -68.5 | -72.5 | 0 | 0 | 0 | 115 | I4 C5 R7 L8 T174 F178 A245 L270 | I4-Y176 WeakPolarHBondContact CG2-OH 3.3Å; C5-Y176 PolarHBondContact N-OH 3.48Å; C5-Y176 PolarHBondContact O-OH 2.65Å; R7-Y176 WeakPolarHBondContact O-CE2 3Å; L8-Y176 HydrophobicContact CD1-CD2 4.28Å; T174-Y176 VanDerWaalsContact C-N 3.31Å; T174-Y176 WeakPolarHBondContact CG2-O 3.3Å; T174-Y176 PolarHBondContact OG1-N 3.12Å; Y176-F178 HydrophobicContact CD1-CE2 4.34Å; Y176-F178 HydrophobicContact CG-CD2 4.4Å; Y176-F178 HydrophobicContact CG-CE2 4.16Å; Y176-F178 PolarHBondContact O-N 3.12Å; Y176-A245 HydrophobicContact CE2-CB 3.58Å; Y176-A245 WeakPolarHBondContact OH-CB 3.41Å; Y176-L270 HydrophobicContact CD1-CD1 3.79Å; Y176-L270 HydrophobicContact CD1-CD2 4.34Å; Y176-L270 HydrophobicContact CE1-CD1 3.51Å |
| 177 | P | 92.1 | Very high | 94 | Very high | 29 Ų | 29 | 22.3 Ų | 22.3 | 19% | 0.188 | 11% | 0.113 | C | C | . | . | trans | -81.6 | 27.8 | -171.5 | 35.2 | -38.2 | 0 | 0 | 0 | 114.7 | Y97 A179 L278 D280 | Y97-P177 HydrophobicContact CD2-CB 4.42Å; Y97-P177 HydrophobicContact CE2-CB 3.85Å; P177-A179 PolarHBondContact O-N 3.44Å; P177-L278 HydrophobicContact CG-CD2 4.39Å; P177-D280 WeakPolarHBondContact O-CB 3.49Å | ||
| 178 | F | 94.7 | Very high | 93.9 | Very high | 9 Ų | 9 | 23.2 Ų | 23.2 | 4% | 0.039 | 12% | 0.121 | C | C | . | . | trans | -79 | 60.5 | -179.1 | -60.1 | -73.1 | 0 | 0 | 0 | 112.6 | L8 Y176 T180 T181 F182 P246 F268 A269 L270 L278 D280 | L8-F178 HydrophobicContact CD1-CE2 4.32Å; Y176-F178 HydrophobicContact CD1-CE2 4.34Å; Y176-F178 HydrophobicContact CG-CD2 4.4Å; Y176-F178 HydrophobicContact CG-CE2 4.16Å; Y176-F178 PolarHBondContact O-N 3.12Å; F178-T180 PolarHBondContact O-N 2.82Å; F178-T181 PolarHBondContact O-N 3.34Å; F178-F182 HydrophobicContact CB-CD2 3.7Å; F178-F182 HydrophobicContact CB-CE2 3.74Å; F178-F182 HydrophobicContact CB-CG 4.41Å; F178-F182 HydrophobicContact CB-CZ 4.47Å; F178-F182 AromaticContact CD2-CE2 3.88Å; F178-F182 HydrophobicContact CD2-CE2 3.88Å; F178-F182 HydrophobicContact CD2-CZ 4.14Å; F178-F182 HydrophobicContact CG-CE2 4.32Å; F178-F182 WeakPolarHBondContact O-CB 3.29Å; F178-F182 VanDerWaalsContact O-CD2 3.29Å; F178-F182 WeakPolarHBondContact O-CD2 3.49Å; F178-F182 PolarHBondContact O-N 3.28Å; F178-P246 HydrophobicContact CE2-CG 4.4Å; F178-P246 HydrophobicContact CZ-CG 4.18Å; F178-F268 HydrophobicContact CB-CD1 4.21Å; F178-F268 HydrophobicContact CB-CE1 4.24Å; F178-F268 HydrophobicContact CD1-CD1 4.26Å; F178-F268 AromaticContact CD2-CD1 3.6Å; F178-F268 HydrophobicContact CD2-CD1 3.6Å; F178-F268 HydrophobicContact CD2-CE1 4.28Å; F178-F268 HydrophobicContact CE2-CB 4.14Å; F178-F268 AromaticContact CE2-CD1 3.91Å; F178-F268 HydrophobicContact CE2-CD1 3.91Å; F178-F268 AromaticContact CG-CD1 3.8Å; F178-F268 HydrophobicContact CG-CD1 3.8Å; F178-F268 HydrophobicContact CG-CE1 4.33Å; F178-F268 HydrophobicContact CZ-CB 4.07Å; F178-F268 HydrophobicContact CZ-CD1 4.36Å; F178-A269 WeakPolarHBondContact CE1-O 3.47Å; F178-A269 WeakPolarHBondContact CZ-O 3.32Å; F178-L270 HydrophobicContact CE1-CD2 4.28Å; F178-L270 HydrophobicContact CE2-CD2 4.14Å; F178-L270 HydrophobicContact CE2-CG 4.47Å; F178-L270 HydrophobicContact CZ-CD2 3.64Å; F178-L270 HydrophobicContact CZ-CG 3.89Å; F178-L278 HydrophobicContact CD1-CD2 3.65Å; F178-L278 HydrophobicContact CE1-CD2 3.38Å; F178-L278 HydrophobicContact CZ-CD2 4.12Å; F178-D280 VanDerWaalsContact CA-OD2 3.28Å; F178-D280 WeakPolarHBondContact CA-OD2 3.47Å | ||
| 179 | A | 92.7 | Very high | 93.9 | Very high | 14 Ų | 14 | 23.2 Ų | 23.2 | 12% | 0.116 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.6 | -41 | -171 | 0 | 0 | 0 | 0 | 0 | 114.6 | L84 P177 A183 D280 | L84-A179 HydrophobicContact CD2-CB 3.99Å; P177-A179 PolarHBondContact O-N 3.44Å; A179-A183 WeakPolarHBondContact O-CB 3.38Å; A179-A183 PolarHBondContact O-N 3.38Å; A179-D280 PolarHBondContact N-OD2 3.15Å |
| 180 | T | 92.9 | Very high | 93.7 | Very high | 72 Ų | 72 | 24.5 Ų | 24.5 | 44% | 0.442 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -75.5 | -39.5 | 177.5 | 72.1 | 0 | 0 | 0 | 0 | 111.8 | F178 A183 R184 D280 | F178-T180 PolarHBondContact O-N 2.82Å; T180-A183 PolarHBondContact O-N 3.3Å; T180-R184 WeakPolarHBondContact O-CG 3.36Å; T180-R184 PolarHBondContact O-N 3.14Å; T180-D280 WeakPolarHBondContact CB-OD1 3.48Å; T180-D280 WeakPolarHBondContact CG2-OD1 3.44Å; T180-D280 PolarHBondContact N-OD2 3.3Å; T180-D280 VanDerWaalsContact OG1-CG 3.23Å; T180-D280 PolarHBondContact OG1-OD1 3.02Å; T180-D280 PolarHBondContact OG1-OD2 2.83Å; T180-D280 VanDerWaalsContact OG1-OD2 3.08Å |
| 181 | T | 93.6 | Very high | 93.3 | Very high | 22 Ų | 22 | 27.2 Ų | 27.2 | 14% | 0.135 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.7 | -40.6 | -176.9 | -49.8 | 0 | 0 | 0 | 0 | 111.3 | F178 R184 L185 L266 F268 D280 | F178-T181 PolarHBondContact O-N 3.34Å; T181-R184 PolarHBondContact O-N 2.81Å; T181-L185 PolarHBondContact O-N 3.1Å; T181-L266 HydrophobicContact CG2-CB 3.88Å; T181-L266 HydrophobicContact CG2-CD1 4.29Å; T181-L266 HydrophobicContact CG2-CD2 4.3Å; T181-L266 HydrophobicContact CG2-CG 4.38Å; T181-F268 HydrophobicContact CG2-CD1 4.07Å; T181-F268 HydrophobicContact CG2-CE1 3.48Å; T181-F268 VanDerWaalsContact CG2-CE1 3.48Å; T181-F268 HydrophobicContact CG2-CE2 4.19Å; T181-F268 HydrophobicContact CG2-CZ 3.55Å; T181-D280 PolarHBondContact N-OD2 2.76Å |
| 182 | F | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -71.8 | -32.1 | 171.7 | -69.9 | -47.9 | 0 | 0 | 0 | 113.1 | L8 I9 I99 L172 T174 F178 R184 L185 V186 F268 | L8-F182 HydrophobicContact CD1-CE1 4.5Å; L8-F182 HydrophobicContact CD1-CZ 3.97Å; L8-F182 HydrophobicContact CG-CE1 4.24Å; L8-F182 HydrophobicContact CG-CZ 4.1Å; I9-F182 HydrophobicContact CD1-CE1 4.37Å; I9-F182 HydrophobicContact CG1-CE1 3.94Å; I9-F182 HydrophobicContact CG1-CZ 4.49Å; I99-F182 HydrophobicContact CB-CB 4.43Å; I99-F182 HydrophobicContact CD1-CB 4.04Å; I99-F182 HydrophobicContact CD1-CD2 4.25Å; I99-F182 HydrophobicContact CG1-CB 3.89Å; L172-F182 HydrophobicContact CD1-CB 4.28Å; L172-F182 HydrophobicContact CD1-CD1 3.65Å; L172-F182 HydrophobicContact CD1-CE1 4.27Å; L172-F182 HydrophobicContact CD1-CG 4.16Å; L172-F182 HydrophobicContact CD2-CB 4.29Å; L172-F182 HydrophobicContact CD2-CD1 3.99Å; L172-F182 HydrophobicContact CD2-CD2 4.25Å; L172-F182 HydrophobicContact CD2-CE1 4.36Å; L172-F182 HydrophobicContact CD2-CG 3.94Å; T174-F182 HydrophobicContact CG2-CD2 3.7Å; T174-F182 HydrophobicContact CG2-CE2 3.39Å; T174-F182 HydrophobicContact CG2-CZ 4.1Å; F178-F182 HydrophobicContact CB-CD2 3.7Å; F178-F182 HydrophobicContact CB-CE2 3.74Å; F178-F182 HydrophobicContact CB-CG 4.41Å; F178-F182 HydrophobicContact CB-CZ 4.47Å; F178-F182 AromaticContact CD2-CE2 3.88Å; F178-F182 HydrophobicContact CD2-CE2 3.88Å; F178-F182 HydrophobicContact CD2-CZ 4.14Å; F178-F182 HydrophobicContact CG-CE2 4.32Å; F178-F182 WeakPolarHBondContact O-CB 3.29Å; F178-F182 VanDerWaalsContact O-CD2 3.29Å; F178-F182 WeakPolarHBondContact O-CD2 3.49Å; F178-F182 PolarHBondContact O-N 3.28Å; F182-R184 VanDerWaalsContact C-N 3.34Å; F182-R184 PolarHBondContact O-N 2.88Å; F182-L185 HydrophobicContact CD1-CD2 4.12Å; F182-L185 PolarHBondContact O-N 2.91Å; F182-V186 WeakPolarHBondContact O-CG2 3.48Å; F182-V186 PolarHBondContact O-N 3.3Å; F182-F268 AromaticContact CD1-CE1 3.79Å; F182-F268 HydrophobicContact CD1-CE1 3.79Å; F182-F268 HydrophobicContact CD1-CZ 4.09Å; F182-F268 HydrophobicContact CE1-CD1 4.32Å; F182-F268 AromaticContact CE1-CE1 3.42Å; F182-F268 HydrophobicContact CE1-CE1 3.42Å; F182-F268 VanDerWaalsContact CE1-CE1 3.42Å; F182-F268 AromaticContact CE1-CZ 3.84Å; F182-F268 HydrophobicContact CE1-CZ 3.84Å; F182-F268 HydrophobicContact CE2-CE1 4.48Å; F182-F268 HydrophobicContact CG-CE1 4.45Å; F182-F268 HydrophobicContact CZ-CD1 4.33Å; F182-F268 AromaticContact CZ-CE1 3.82Å; F182-F268 HydrophobicContact CZ-CE1 3.82Å |
| 183 | A | 94 | Very high | 92.2 | Very high | 19 Ų | 19 | 29.7 Ų | 29.7 | 16% | 0.157 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61 | -43.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T82 I99 A179 T180 V186 Q187 | T82-A183 HydrophobicContact CG2-CB 3.89Å; I99-A183 HydrophobicContact CG2-CB 4.3Å; A179-A183 WeakPolarHBondContact O-CB 3.38Å; A179-A183 PolarHBondContact O-N 3.38Å; T180-A183 PolarHBondContact O-N 3.3Å; A183-V186 PolarHBondContact O-N 2.89Å; A183-Q187 WeakPolarHBondContact O-CB 3.18Å; A183-Q187 VanDerWaalsContact O-CG 3.23Å; A183-Q187 WeakPolarHBondContact O-CG 3.47Å; A183-Q187 PolarHBondContact O-N 3.26Å |
| 184 | R | 92.6 | Very high | 91.5 | Very high | 134 Ų | 134 | 35.3 Ų | 35.3 | 51% | 0.506 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 171.5 | -72.5 | 173.5 | 62.5 | 175.5 | -2.3 | 111.6 | T180 T181 F182 V186 Q187 C188 L266 | T180-R184 WeakPolarHBondContact O-CG 3.36Å; T180-R184 PolarHBondContact O-N 3.14Å; T181-R184 PolarHBondContact O-N 2.81Å; F182-R184 VanDerWaalsContact C-N 3.34Å; F182-R184 PolarHBondContact O-N 2.88Å; R184-V186 PolarHBondContact O-N 3.38Å; R184-Q187 PolarHBondContact O-N 2.96Å; R184-C188 PolarHBondContact O-N 3.45Å; R184-C188 PolarHBondContact O-SG 3.47Å; R184-C188 VanDerWaalsContact O-SG 3.36Å; R184-L266 HydrophobicContact CB-CD2 4.47Å |
| 185 | L | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.3 | -47.7 | 178.4 | -179.7 | 57 | 0 | 0 | 0 | 112.7 | I9 F12 L172 T181 F182 Q187 C188 V189 L240 L255 V257 L266 | I9-L185 HydrophobicContact CD1-CD2 3.68Å; F12-L185 HydrophobicContact CZ-CG 4.42Å; L172-L185 HydrophobicContact CD1-CD2 3.81Å; L172-L185 HydrophobicContact CD1-CG 4.39Å; T181-L185 PolarHBondContact O-N 3.1Å; F182-L185 HydrophobicContact CD1-CD2 4.12Å; F182-L185 PolarHBondContact O-N 2.91Å; L185-Q187 VanDerWaalsContact C-N 3.29Å; L185-Q187 PolarHBondContact O-N 3.37Å; L185-C188 WeakPolarHBondContact O-CB 3.27Å; L185-C188 PolarHBondContact O-N 3.35Å; L185-V189 WeakPolarHBondContact O-CG2 3.29Å; L185-V189 PolarHBondContact O-N 3.48Å; L185-L240 HydrophobicContact CD1-CD2 4.34Å; L185-L255 HydrophobicContact CD2-CD2 4.25Å; L185-V257 HydrophobicContact CD1-CB 4.45Å; L185-V257 HydrophobicContact CD1-CG1 3.38Å; L185-V257 HydrophobicContact CD1-CG2 4.23Å; L185-L266 HydrophobicContact CB-CD1 3.93Å; L185-L266 HydrophobicContact CD1-CD1 4.32Å |
| 186 | V | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.7 | -36.1 | 177.6 | 175 | 0 | 0 | 0 | 0 | 111.3 | F12 I99 T101 I170 L172 F182 A183 R184 V189 Y190 | F12-V186 HydrophobicContact CE1-CG2 4.26Å; I99-V186 HydrophobicContact CG2-CB 4.48Å; I99-V186 HydrophobicContact CG2-CG2 4.04Å; T101-V186 WeakPolarHBondContact OG1-CG1 3.35Å; I170-V186 HydrophobicContact CB-CG1 4.24Å; I170-V186 HydrophobicContact CG2-CG1 3.94Å; L172-V186 HydrophobicContact CB-CG2 3.59Å; L172-V186 HydrophobicContact CD1-CG2 4.16Å; F182-V186 WeakPolarHBondContact O-CG2 3.48Å; F182-V186 PolarHBondContact O-N 3.3Å; A183-V186 PolarHBondContact O-N 2.89Å; R184-V186 PolarHBondContact O-N 3.38Å; V186-V189 PolarHBondContact O-N 3.46Å; V186-Y190 WeakPolarHBondContact O-CB 3.45Å; V186-Y190 PolarHBondContact O-N 3.09Å |
| 187 | Q | 89.9 | Confident | 89.5 | Confident | 88 Ų | 88 | 37.2 Ų | 37.2 | 41% | 0.411 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.8 | -37.2 | 174.2 | -72.1 | 170.6 | 8 | 0 | 0 | 112.6 | T82 A183 R184 L185 Y190 A191 | T82-Q187 PolarHBondContact OG1-NE2 3.13Å; A183-Q187 WeakPolarHBondContact O-CB 3.18Å; A183-Q187 VanDerWaalsContact O-CG 3.23Å; A183-Q187 WeakPolarHBondContact O-CG 3.47Å; A183-Q187 PolarHBondContact O-N 3.26Å; R184-Q187 PolarHBondContact O-N 2.96Å; L185-Q187 VanDerWaalsContact C-N 3.29Å; L185-Q187 PolarHBondContact O-N 3.37Å; Q187-Y190 PolarHBondContact O-N 3.39Å; Q187-A191 WeakPolarHBondContact O-CB 3.12Å; Q187-A191 PolarHBondContact O-N 3.24Å |
| 188 | C | 89.2 | Confident | 88.7 | Confident | 41 Ų | 41 | 43 Ų | 43 | 28% | 0.277 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.6 | -48 | 171.1 | -70.4 | 0 | 0 | 0 | 0 | 111.6 | R184 L185 Y190 A191 V192 | R184-C188 PolarHBondContact O-N 3.45Å; R184-C188 PolarHBondContact O-SG 3.47Å; R184-C188 VanDerWaalsContact O-SG 3.36Å; L185-C188 WeakPolarHBondContact O-CB 3.27Å; L185-C188 PolarHBondContact O-N 3.35Å; C188-Y190 VanDerWaalsContact C-N 3.34Å; C188-Y190 PolarHBondContact O-N 2.9Å; C188-A191 PolarHBondContact O-N 3.45Å; C188-A191 VanDerWaalsContact O-N 3.15Å; C188-V192 WeakPolarHBondContact O-CG2 3.49Å; C188-V192 PolarHBondContact O-N 2.9Å |
| 189 | V | 90.7 | Very high | 87.4 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.1 | -44.8 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | F12 I170 L185 V186 V192 L193 F233 W236 I237 | F12-V189 HydrophobicContact CE1-CG2 4.16Å; F12-V189 HydrophobicContact CZ-CG2 3.97Å; I170-V189 HydrophobicContact CG2-CG1 4.31Å; L185-V189 WeakPolarHBondContact O-CG2 3.29Å; L185-V189 PolarHBondContact O-N 3.48Å; V186-V189 PolarHBondContact O-N 3.46Å; V189-V192 PolarHBondContact O-N 3.3Å; V189-L193 WeakPolarHBondContact O-CB 3.36Å; V189-L193 PolarHBondContact O-N 2.91Å; V189-F233 HydrophobicContact CG1-CE2 4.32Å; V189-F233 HydrophobicContact CG1-CZ 4Å; V189-W236 HydrophobicContact CB-CZ3 4.42Å; V189-W236 HydrophobicContact CG2-CH2 3.93Å; V189-W236 HydrophobicContact CG2-CZ3 3.88Å; V189-I237 HydrophobicContact CG1-CD1 3.83Å; V189-I237 HydrophobicContact CG2-CD1 3.97Å |
| 190 | Y | 90.4 | Very high | 86.2 | Confident | 27 Ų | 27 | 45.1 Ų | 45.1 | 11% | 0.106 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.2 | -41.8 | 174.9 | 173.4 | -129 | 0 | 0 | 0 | 112.6 | S80 T101 F103 I170 V186 Q187 C188 L193 K194 | S80-Y190 WeakPolarHBondContact OG-CE1 3.26Å; T101-Y190 HydrophobicContact CG2-CD1 4.47Å; F103-Y190 HydrophobicContact CB-CE2 3.97Å; F103-Y190 AromaticContact CD1-CD2 3.86Å; F103-Y190 HydrophobicContact CD1-CD2 3.86Å; F103-Y190 AromaticContact CD1-CE2 3.69Å; F103-Y190 HydrophobicContact CD1-CE2 3.69Å; F103-Y190 AromaticContact CD2-CE2 3.77Å; F103-Y190 HydrophobicContact CD2-CE2 3.77Å; F103-Y190 AromaticContact CE1-CD2 3.97Å; F103-Y190 HydrophobicContact CE1-CD2 3.97Å; F103-Y190 HydrophobicContact CE1-CE2 4.14Å; F103-Y190 HydrophobicContact CE2-CE2 4.2Å; F103-Y190 HydrophobicContact CG-CD2 4.16Å; F103-Y190 AromaticContact CG-CE2 3.5Å; F103-Y190 HydrophobicContact CG-CE2 3.5Å; F103-Y190 VanDerWaalsContact CG-CE2 3.5Å; F103-Y190 AromaticContact CG-CZ 3.9Å; F103-Y190 HydrophobicContact CZ-CD2 4.34Å; F103-Y190 HydrophobicContact CZ-CE2 4.37Å; I170-Y190 HydrophobicContact CD1-CD2 3.96Å; I170-Y190 HydrophobicContact CD1-CG 4.23Å; V186-Y190 WeakPolarHBondContact O-CB 3.45Å; V186-Y190 PolarHBondContact O-N 3.09Å; Q187-Y190 PolarHBondContact O-N 3.39Å; C188-Y190 VanDerWaalsContact C-N 3.34Å; C188-Y190 PolarHBondContact O-N 2.9Å; Y190-L193 PolarHBondContact O-N 3.12Å; Y190-K194 HydrophobicContact CD2-CB 4.5Å; Y190-K194 HydrophobicContact CE1-CD 4.42Å; Y190-K194 HydrophobicContact CE2-CB 4.26Å; Y190-K194 HydrophobicContact CE2-CD 4.28Å; Y190-K194 WeakPolarHBondContact O-CB 3.34Å; Y190-K194 PolarHBondContact O-N 2.89Å |
| 191 | A | 86.6 | Confident | 84.8 | Confident | 58 Ų | 58 | 46.9 Ų | 46.9 | 48% | 0.479 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q187 C188 K195 | Q187-A191 WeakPolarHBondContact O-CB 3.12Å; Q187-A191 PolarHBondContact O-N 3.24Å; C188-A191 PolarHBondContact O-N 3.45Å; C188-A191 VanDerWaalsContact O-N 3.15Å; A191-K195 WeakPolarHBondContact O-CB 3.24Å; A191-K195 PolarHBondContact O-N 3.39Å |
| 192 | V | 85.1 | Confident | 82.9 | Confident | 51 Ų | 51 | 52.6 Ų | 52.6 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.3 | -55.4 | 172.6 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | C188 V189 K194 K195 L196 F233 W236 | C188-V192 WeakPolarHBondContact O-CG2 3.49Å; C188-V192 PolarHBondContact O-N 2.9Å; V189-V192 PolarHBondContact O-N 3.3Å; V192-K194 PolarHBondContact O-N 3.5Å; V192-K195 PolarHBondContact O-N 3.26Å; V192-L196 HydrophobicContact CG1-CD1 4Å; V192-L196 HydrophobicContact CG1-CG 4.42Å; V192-L196 PolarHBondContact O-N 2.87Å; V192-F233 HydrophobicContact CG1-CD2 4.02Å; V192-F233 HydrophobicContact CG1-CE2 4.16Å; V192-W236 HydrophobicContact CB-CH2 4.45Å; V192-W236 HydrophobicContact CB-CZ3 4.43Å; V192-W236 HydrophobicContact CG1-CZ3 4.41Å; V192-W236 HydrophobicContact CG2-CH2 4Å; V192-W236 HydrophobicContact CG2-CZ3 4.44Å |
| 193 | L | 86.6 | Confident | 80.7 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.5 | -42.2 | -176.8 | -177.3 | 55.5 | 0 | 0 | 0 | 112.7 | I170 V189 Y190 K195 L196 H197 I210 W211 L214 F233 | I170-L193 HydrophobicContact CD1-CD2 4.28Å; V189-L193 WeakPolarHBondContact O-CB 3.36Å; V189-L193 PolarHBondContact O-N 2.91Å; Y190-L193 PolarHBondContact O-N 3.12Å; L193-K195 PolarHBondContact O-N 3.1Å; L193-L196 PolarHBondContact O-N 3.31Å; L193-H197 WeakPolarHBondContact O-CB 3.47Å; L193-H197 PolarHBondContact O-N 3.48Å; L193-I210 HydrophobicContact CD1-CD1 3.91Å; L193-I210 HydrophobicContact CD1-CG1 4.23Å; L193-W211 HydrophobicContact CD2-CH2 3.44Å; L193-W211 VanDerWaalsContact CD2-CH2 3.44Å; L193-W211 HydrophobicContact CD2-CZ2 3.88Å; L193-W211 HydrophobicContact CD2-CZ3 4.03Å; L193-W211 HydrophobicContact CG-CH2 4.15Å; L193-W211 HydrophobicContact CG-CZ2 4.11Å; L193-L214 HydrophobicContact CD1-CD1 3.66Å; L193-L214 HydrophobicContact CD2-CD1 4.47Å; L193-F233 HydrophobicContact CB-CE2 4.13Å; L193-F233 HydrophobicContact CB-CZ 4.05Å; L193-F233 HydrophobicContact CD1-CE1 4.21Å; L193-F233 HydrophobicContact CD1-CZ 4.21Å; L193-F233 HydrophobicContact CD2-CE1 4.46Å; L193-F233 HydrophobicContact CD2-CZ 4.18Å; L193-F233 HydrophobicContact CG-CZ 4.38Å |
| 194 | K | 83.7 | Confident | 78.2 | Confident | 118 Ų | 118 | 59.6 Ų | 59.6 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.4 | -29.5 | 175.1 | -177.7 | 176.1 | -178.3 | 175.6 | 0 | 112.6 | Y190 V192 K198 | Y190-K194 HydrophobicContact CD2-CB 4.5Å; Y190-K194 HydrophobicContact CE1-CD 4.42Å; Y190-K194 HydrophobicContact CE2-CB 4.26Å; Y190-K194 HydrophobicContact CE2-CD 4.28Å; Y190-K194 WeakPolarHBondContact O-CB 3.34Å; Y190-K194 PolarHBondContact O-N 2.89Å; V192-K194 PolarHBondContact O-N 3.5Å; K194-K198 PolarHBondContact O-N 2.99Å |
| 195 | K | 79.9 | Confident | 76.1 | Confident | 61 Ų | 61 | 59.5 Ų | 59.5 | 27% | 0.265 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -90.1 | -34.7 | -178.5 | -150.9 | 161.2 | -178 | 172.7 | 0 | 112.6 | A191 V192 L193 H197 K198 L199 L606 F610 | A191-K195 WeakPolarHBondContact O-CB 3.24Å; A191-K195 PolarHBondContact O-N 3.39Å; V192-K195 PolarHBondContact O-N 3.26Å; L193-K195 PolarHBondContact O-N 3.1Å; K195-H197 VanDerWaalsContact C-N 3.3Å; K195-H197 PolarHBondContact O-N 2.93Å; K195-K198 WeakPolarHBondContact O-CB 3.48Å; K195-K198 PolarHBondContact O-N 3.29Å; K195-L199 PolarHBondContact O-N 3.34Å; K195-L606 HydrophobicContact CD-CD1 3.97Å; K195-L606 HydrophobicContact CD-CD2 4.4Å; K195-F610 HydrophobicContact CB-CE2 4.43Å; K195-F610 HydrophobicContact CB-CZ 4.12Å; K195-F610 HydrophobicContact CD-CE2 3.72Å; K195-F610 HydrophobicContact CD-CZ 4.18Å; K195-F610 HydrophobicContact CG-CE2 3.7Å; K195-F610 HydrophobicContact CG-CZ 3.87Å |
| 196 | L | 80.2 | Confident | 74.3 | Confident | 13 Ų | 13 | 68.2 Ų | 68.2 | 7% | 0.068 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.3 | -45.4 | 164.9 | -66.8 | 172 | 0 | 0 | 0 | 110.9 | V192 L193 K198 L199 S200 I210 F233 F610 F613 | V192-L196 HydrophobicContact CG1-CD1 4Å; V192-L196 HydrophobicContact CG1-CG 4.42Å; V192-L196 PolarHBondContact O-N 2.87Å; L193-L196 PolarHBondContact O-N 3.31Å; L196-K198 PolarHBondContact O-N 2.96Å; L196-L199 PolarHBondContact O-N 3.28Å; L196-S200 PolarHBondContact O-N 2.69Å; L196-S200 VanDerWaalsContact O-N 3.14Å; L196-I210 HydrophobicContact CB-CD1 3.76Å; L196-I210 HydrophobicContact CD1-CD1 3.79Å; L196-I210 HydrophobicContact CG-CD1 4.39Å; L196-F233 HydrophobicContact CD1-CB 4.03Å; L196-F233 HydrophobicContact CD1-CD2 3.92Å; L196-F233 HydrophobicContact CD1-CG 4.17Å; L196-F610 HydrophobicContact CD2-CE1 4.23Å; L196-F613 HydrophobicContact CD2-CZ 4.43Å |
| 197 | H | 80.2 | Confident | 72.5 | Confident | 21 Ų | 21 | 69.9 Ų | 69.9 | 10% | 0.097 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.8 | -22.9 | 173.6 | 174.2 | 57.9 | 0 | 0 | 0 | 114.8 | P106 L193 K195 L199 S200 K201 D209 I210 W211 | P106-H197 WeakPolarHBondContact CG-NE2 3.46Å; L193-H197 WeakPolarHBondContact O-CB 3.47Å; L193-H197 PolarHBondContact O-N 3.48Å; K195-H197 VanDerWaalsContact C-N 3.3Å; K195-H197 PolarHBondContact O-N 2.93Å; H197-L199 VanDerWaalsContact C-N 3.32Å; H197-S200 PolarHBondContact O-OG 2.85Å; H197-S200 VanDerWaalsContact O-OG 3.07Å; H197-K201 WeakPolarHBondContact CE1-CE 3.46Å; H197-K201 PolarHBondContact CE1-NZ 2.92Å; H197-K201 PolarHBondContact NE2-NZ 2.86Å; H197-D209 IonicContact CE1-OD1 3.38Å; H197-D209 IonicContact CE1-OD2 2.86Å; H197-D209 PolarHBondContact CE1-OD2 2.99Å; H197-D209 IonicContact CG-OD1 2.67Å; H197-D209 IonicContact ND1-OD1 3.15Å; H197-D209 PolarHBondContact ND1-OD1 3.05Å; H197-D209 IonicContact ND1-OD2 3.92Å; H197-D209 PolarHBondContact ND1-OD2 2.76Å; H197-I210 HydrophobicContact CB-CG2 3.87Å; H197-W211 AromaticContact CD2-NE1 3.96Å; H197-W211 AromaticContact CE1-CD1 3.5Å; H197-W211 AromaticContact CG-CD1 3.59Å; H197-W211 AromaticContact CG-NE1 3.75Å; H197-W211 AromaticContact ND1-CD1 3.29Å; H197-W211 VanDerWaalsContact ND1-CD1 3.29Å; H197-W211 AromaticContact ND1-NE1 3.94Å; H197-W211 AromaticContact NE2-CD1 3.98Å |
| 198 | K | 75.7 | Confident | 71.2 | Confident | 152 Ų | 152 | 66.4 Ų | 66.4 | 66% | 0.661 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -76.3 | -24.6 | 173.3 | -168.3 | 175.8 | 177.5 | -175.5 | 0 | 111.8 | K194 K195 L196 | K194-K198 PolarHBondContact O-N 2.99Å; K195-K198 WeakPolarHBondContact O-CB 3.48Å; K195-K198 PolarHBondContact O-N 3.29Å; L196-K198 PolarHBondContact O-N 2.96Å |
| 199 | L | 66.9 | Low | 70.5 | Confident | 57 Ų | 57 | 64.9 Ų | 64.9 | 30% | 0.298 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -93.4 | -35.1 | -173.3 | -65.7 | 165.7 | 0 | 0 | 0 | 113.1 | K195 L196 H197 K201 L202 F610 | K195-L199 PolarHBondContact O-N 3.34Å; L196-L199 PolarHBondContact O-N 3.28Å; H197-L199 VanDerWaalsContact C-N 3.32Å; L199-K201 PolarHBondContact O-N 3.21Å; L199-L202 HydrophobicContact CD2-CD1 4.13Å; L199-L202 PolarHBondContact O-N 3.05Å; L199-F610 HydrophobicContact CD1-CB 4.23Å; L199-F610 HydrophobicContact CD1-CD1 3.17Å; L199-F610 HydrophobicContact CD1-CD2 3.85Å; L199-F610 HydrophobicContact CD1-CE1 3.34Å; L199-F610 HydrophobicContact CD1-CE2 3.99Å; L199-F610 HydrophobicContact CD1-CG 3.46Å; L199-F610 VanDerWaalsContact CD1-CG 3.46Å; L199-F610 HydrophobicContact CD1-CZ 3.76Å |
| 200 | S | 68.1 | Low | 70 | Confident | 10 Ų | 10 | 64.9 Ų | 64.9 | 7% | 0.07 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -50 | -42.6 | 168.2 | 49 | 0 | 0 | 0 | 0 | 111.6 | L196 H197 L202 S203 D209 | L196-S200 PolarHBondContact O-N 2.69Å; L196-S200 VanDerWaalsContact O-N 3.14Å; H197-S200 PolarHBondContact O-OG 2.85Å; H197-S200 VanDerWaalsContact O-OG 3.07Å; S200-L202 PolarHBondContact O-N 3.09Å; S200-L202 VanDerWaalsContact O-N 3.14Å; S200-S203 PolarHBondContact O-N 2.88Å; S200-S203 VanDerWaalsContact O-N 3.13Å; S200-D209 WeakPolarHBondContact CB-OD1 3.38Å; S200-D209 PolarHBondContact OG-OD1 3.18Å |
| 201 | K | 62.7 | Low | 69.5 | Low | 109 Ų | 109 | 64 Ų | 64 | 47% | 0.474 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -0.8 | 179.1 | -74.7 | 178 | 167.8 | 170.6 | 0 | 116.7 | H197 L199 D209 | H197-K201 WeakPolarHBondContact CE1-CE 3.46Å; H197-K201 PolarHBondContact CE1-NZ 2.92Å; H197-K201 PolarHBondContact NE2-NZ 2.86Å; L199-K201 PolarHBondContact O-N 3.21Å; K201-D209 VanDerWaalsContact CE-OD2 3.27Å; K201-D209 WeakPolarHBondContact CE-OD2 3.46Å |
| 202 | L | 53.5 | Low | 68.9 | Low | 141 Ų | 141 | 62.9 Ų | 62.9 | 74% | 0.738 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -4.6 | 171.3 | -80.7 | 138.8 | 0 | 0 | 0 | 112.9 | L199 S200 | L199-L202 HydrophobicContact CD2-CD1 4.13Å; L199-L202 PolarHBondContact O-N 3.05Å; S200-L202 PolarHBondContact O-N 3.09Å; S200-L202 VanDerWaalsContact O-N 3.14Å |
| 203 | S | 49.5 | Very low | 68.5 | Low | 65 Ų | 65 | 61 Ų | 61 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -83.2 | 176.4 | 168.8 | -165.9 | 0 | 0 | 0 | 0 | 111.5 | S200 S207 | S200-S203 PolarHBondContact O-N 2.88Å; S200-S203 VanDerWaalsContact O-N 3.13Å; S203-S207 WeakPolarHBondContact CB-OG 3.43Å |
| 204 | C | 42.1 | Very low | 68.2 | Low | 101 Ų | 101 | 61.1 Ų | 61.1 | 68% | 0.682 | 32% | 0.319 | S | S | * | . | trans | -63.7 | 163.6 | -166.4 | -156.8 | 0 | 0 | 0 | 0 | 114 | E206 S207 | C204-E206 PolarHBondContact O-N 2.74Å; C204-S207 PolarHBondContact O-N 3.17Å; C204-S207 PolarHBondContact O-OG 3.38Å; C204-S207 VanDerWaalsContact O-OG 3.04Å | ||
| 205 | V | 49.6 | Very low | 67.7 | Low | 132 Ų | 132 | 56 Ų | 56 | 80% | 0.8 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -12.1 | -168.2 | 178.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 206 | E | 55 | Low | 66.8 | Low | 183 Ų | 183 | 56.8 Ų | 56.8 | 86% | 0.855 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | 6.3 | 180 | -53.7 | -165 | 139.4 | 0 | 0 | 114.1 | C204 | C204-E206 PolarHBondContact O-N 2.74Š|
| 207 | S | 56.4 | Low | 65.5 | Low | 36 Ų | 36 | 60.9 Ų | 60.9 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 142 | 179.7 | 67.9 | 0 | 0 | 0 | 0 | 112.7 | S203 C204 | S203-S207 WeakPolarHBondContact CB-OG 3.43Å; C204-S207 PolarHBondContact O-N 3.17Å; C204-S207 PolarHBondContact O-OG 3.38Å; C204-S207 VanDerWaalsContact O-OG 3.04Å |
| 208 | P | 63.3 | Low | 64.2 | Low | 14 Ų | 14 | 63.7 Ų | 63.7 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 149.7 | 178.7 | 31.9 | -39.5 | 0 | 0 | 0 | 112.3 | I218 L220 | P208-I218 HydrophobicContact CB-CD1 3.87Å; P208-L220 HydrophobicContact CB-CD1 3.83Å; P208-L220 HydrophobicContact CG-CD1 3.57Å; P208-L220 HydrophobicContact CG-CD2 3.81Å; P208-L220 HydrophobicContact CG-CG 4.34Å |
| 209 | D | 73.5 | Confident | 62.9 | Low | 10 Ų | 10 | 63.3 Ų | 63.3 | 5% | 0.053 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 155.2 | 174.2 | -148.2 | -39.2 | 0 | 0 | 0 | 111.1 | H197 S200 K201 W211 D212 V213 | H197-D209 IonicContact CE1-OD1 3.38Å; H197-D209 IonicContact CE1-OD2 2.86Å; H197-D209 PolarHBondContact CE1-OD2 2.99Å; H197-D209 IonicContact CG-OD1 2.67Å; H197-D209 IonicContact ND1-OD1 3.15Å; H197-D209 PolarHBondContact ND1-OD1 3.05Å; H197-D209 IonicContact ND1-OD2 3.92Å; H197-D209 PolarHBondContact ND1-OD2 2.76Å; S200-D209 WeakPolarHBondContact CB-OD1 3.38Å; S200-D209 PolarHBondContact OG-OD1 3.18Å; K201-D209 VanDerWaalsContact CE-OD2 3.27Å; K201-D209 WeakPolarHBondContact CE-OD2 3.46Å; D209-W211 HydrophobicContact CB-CB 4.29Å; D209-W211 PolarHBondContact O-N 2.75Å; D209-W211 VanDerWaalsContact O-N 3.11Å; D209-D212 VanDerWaalsContact CB-OD2 3.31Å; D209-D212 WeakPolarHBondContact CB-OD2 3.43Å; D209-D212 PolarHBondContact N-OD2 3.07Å; D209-D212 PolarHBondContact O-N 2.9Å; D209-V213 PolarHBondContact O-N 3.24Å |
| 210 | I | 80.2 | Confident | 62.2 | Low | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -53.9 | -33.6 | 170 | 178.1 | 161 | 0 | 0 | 0 | 110.7 | L193 L196 H197 D212 V213 L214 V226 T230 | L193-I210 HydrophobicContact CD1-CD1 3.91Å; L193-I210 HydrophobicContact CD1-CG1 4.23Å; L196-I210 HydrophobicContact CB-CD1 3.76Å; L196-I210 HydrophobicContact CD1-CD1 3.79Å; L196-I210 HydrophobicContact CG-CD1 4.39Å; H197-I210 HydrophobicContact CB-CG2 3.87Å; I210-D212 VanDerWaalsContact C-N 3.3Å; I210-D212 PolarHBondContact O-N 3.39Å; I210-V213 PolarHBondContact O-N 3.08Å; I210-L214 HydrophobicContact CD1-CD1 4.46Å; I210-L214 HydrophobicContact CG1-CD1 3.87Å; I210-L214 HydrophobicContact CG1-CG 4.26Å; I210-L214 WeakPolarHBondContact O-CB 3.23Å; I210-L214 WeakPolarHBondContact O-CG 3.24Å; I210-L214 PolarHBondContact O-N 2.91Å; I210-V226 HydrophobicContact CB-CG1 4.22Å; I210-T230 HydrophobicContact CG1-CG2 4.27Å; I210-T230 WeakPolarHBondContact CG1-OG1 3.47Å |
| 211 | W | 79.9 | Confident | 61.4 | Low | 9 Ų | 9 | 66.4 Ų | 66.4 | 3% | 0.034 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.6 | -28.9 | 176.2 | -94.9 | 141.7 | 0 | 0 | 0 | 114.3 | L14 F103 R105 T168 L193 H197 D209 L214 T215 | L14-W211 HydrophobicContact CD1-CZ3 4.39Å; F103-W211 AromaticContact CE2-CH2 3.87Å; F103-W211 HydrophobicContact CE2-CH2 3.87Å; F103-W211 AromaticContact CE2-CZ2 3.59Å; F103-W211 HydrophobicContact CE2-CZ2 3.59Å; F103-W211 AromaticContact CZ-CH2 3.76Å; F103-W211 HydrophobicContact CZ-CH2 3.76Å; F103-W211 AromaticContact CZ-CZ2 3.93Å; F103-W211 HydrophobicContact CZ-CZ2 3.93Å; R105-W211 HydrophobicContact CG-CD2 4.31Å; R105-W211 HydrophobicContact CG-CG 4.24Å; R105-W211 VanDerWaalsContact CZ-CB 3.46Å; R105-W211 VanDerWaalsContact CZ-O 3.26Å; R105-W211 PolarHBondContact NH1-O 3.23Å; R105-W211 PolarHBondContact NH2-O 3.48Å; T168-W211 HydrophobicContact CG2-CH2 4.07Å; T168-W211 HydrophobicContact CG2-CZ3 4.26Å; L193-W211 HydrophobicContact CD2-CH2 3.44Å; L193-W211 VanDerWaalsContact CD2-CH2 3.44Å; L193-W211 HydrophobicContact CD2-CZ2 3.88Å; L193-W211 HydrophobicContact CD2-CZ3 4.03Å; L193-W211 HydrophobicContact CG-CH2 4.15Å; L193-W211 HydrophobicContact CG-CZ2 4.11Å; H197-W211 AromaticContact CD2-NE1 3.96Å; H197-W211 AromaticContact CE1-CD1 3.5Å; H197-W211 AromaticContact CG-CD1 3.59Å; H197-W211 AromaticContact CG-NE1 3.75Å; H197-W211 AromaticContact ND1-CD1 3.29Å; H197-W211 VanDerWaalsContact ND1-CD1 3.29Å; H197-W211 AromaticContact ND1-NE1 3.94Å; H197-W211 AromaticContact NE2-CD1 3.98Å; D209-W211 HydrophobicContact CB-CB 4.29Å; D209-W211 PolarHBondContact O-N 2.75Å; D209-W211 VanDerWaalsContact O-N 3.11Å; W211-L214 HydrophobicContact CE3-CD1 4.5Å; W211-T215 PolarHBondContact O-N 3.43Å; W211-T215 PolarHBondContact O-OG1 2.9Å |
| 212 | D | 75.4 | Confident | 60.9 | Low | 33 Ų | 33 | 64.1 Ų | 64.1 | 18% | 0.176 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -82.5 | -39 | -179.5 | -56.3 | -37.1 | 0 | 0 | 0 | 110.5 | R105 D209 I210 T215 S216 I218 | R105-D212 IonicContact NH2-OD1 3.59Å; R105-D212 PolarHBondContact NH2-OD1 3.29Å; D209-D212 VanDerWaalsContact CB-OD2 3.31Å; D209-D212 WeakPolarHBondContact CB-OD2 3.43Å; D209-D212 PolarHBondContact N-OD2 3.07Å; D209-D212 PolarHBondContact O-N 2.9Å; I210-D212 VanDerWaalsContact C-N 3.3Å; I210-D212 PolarHBondContact O-N 3.39Å; D212-T215 PolarHBondContact O-N 3.15Å; D212-T215 PolarHBondContact O-OG1 3.16Å; D212-S216 PolarHBondContact O-N 3.02Å; D212-I218 HydrophobicContact CB-CD1 3.95Å |
| 213 | V | 76.9 | Confident | 60.8 | Low | 13 Ų | 13 | 60.7 Ų | 60.7 | 8% | 0.079 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60 | -50.9 | 171.1 | -175.7 | 0 | 0 | 0 | 0 | 110.6 | D209 I210 T215 S216 L220 V227 T230 L688 | D209-V213 PolarHBondContact O-N 3.24Å; I210-V213 PolarHBondContact O-N 3.08Å; V213-T215 PolarHBondContact O-N 3.12Å; V213-T215 VanDerWaalsContact O-N 3.11Å; V213-S216 PolarHBondContact O-N 3.42Å; V213-S216 VanDerWaalsContact O-N 3.08Å; V213-L220 HydrophobicContact CG2-CD1 4.22Å; V213-V227 HydrophobicContact CG2-CG2 4.43Å; V213-T230 HydrophobicContact CB-CG2 4.32Å; V213-T230 HydrophobicContact CG1-CG2 3.85Å; V213-L688 HydrophobicContact CG1-CD1 3.84Å; V213-L688 HydrophobicContact CG1-CD2 3.88Å |
| 214 | L | 78.6 | Confident | 61.5 | Low | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -11.9 | 177.8 | -72.7 | 174.8 | 0 | 0 | 0 | 114.5 | L14 L193 I210 W211 T230 F233 Q234 | L14-L214 HydrophobicContact CD1-CB 4.44Å; L14-L214 HydrophobicContact CD1-CD1 4.31Å; L193-L214 HydrophobicContact CD1-CD1 3.66Å; L193-L214 HydrophobicContact CD2-CD1 4.47Å; I210-L214 HydrophobicContact CD1-CD1 4.46Å; I210-L214 HydrophobicContact CG1-CD1 3.87Å; I210-L214 HydrophobicContact CG1-CG 4.26Å; I210-L214 WeakPolarHBondContact O-CB 3.23Å; I210-L214 WeakPolarHBondContact O-CG 3.24Å; I210-L214 PolarHBondContact O-N 2.91Å; W211-L214 HydrophobicContact CE3-CD1 4.5Å; L214-T230 HydrophobicContact CD2-CG2 3.65Å; L214-T230 HydrophobicContact CG-CG2 3.83Å; L214-F233 HydrophobicContact CD1-CE1 4.45Å; L214-Q234 HydrophobicContact CD2-CG 4.44Å |
| 215 | T | 73.9 | Confident | 62.8 | Low | 10 Ų | 10 | 56.1 Ų | 56.1 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 11.6 | 173.7 | 48.9 | 0 | 0 | 0 | 0 | 114.5 | L32 R105 W211 D212 V213 N217 | L32-T215 HydrophobicContact CB-CG2 4.21Å; L32-T215 HydrophobicContact CD1-CG2 3.94Å; L32-T215 HydrophobicContact CD2-CG2 4.18Å; L32-T215 HydrophobicContact CG-CG2 4.33Å; R105-T215 PolarHBondContact NH2-OG1 3.08Å; W211-T215 PolarHBondContact O-N 3.43Å; W211-T215 PolarHBondContact O-OG1 2.9Å; D212-T215 PolarHBondContact O-N 3.15Å; D212-T215 PolarHBondContact O-OG1 3.16Å; V213-T215 PolarHBondContact O-N 3.12Å; V213-T215 VanDerWaalsContact O-N 3.11Å; T215-N217 VanDerWaalsContact C-N 3.29Å; T215-N217 PolarHBondContact O-N 2.96Å |
| 216 | S | 60.7 | Low | 63.9 | Low | 78 Ų | 78 | 50.4 Ų | 50.4 | 55% | 0.545 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 29.4 | 170.2 | -50.9 | 0 | 0 | 0 | 0 | 115.7 | D212 V213 | D212-S216 PolarHBondContact O-N 3.02Å; V213-S216 PolarHBondContact O-N 3.42Å; V213-S216 VanDerWaalsContact O-N 3.08Å |
| 217 | N | 53.7 | Low | 64.7 | Low | 99 Ų | 99 | 42.1 Ų | 42.1 | 53% | 0.529 | 26% | 0.258 | S | S | . | . | trans | -98.3 | -2.6 | -176.7 | -85.5 | -16.9 | 0 | 0 | 0 | 114.8 | T215 | T215-N217 VanDerWaalsContact C-N 3.29Å; T215-N217 PolarHBondContact O-N 2.96Å | ||
| 218 | I | 53.4 | Low | 65.3 | Low | 79 Ų | 79 | 42.6 Ų | 42.6 | 41% | 0.405 | 26% | 0.256 | S | S | . | . | trans | -145.4 | 126.7 | -176.8 | -39.6 | 175.4 | 0 | 0 | 0 | 110.8 | P208 D212 L220 | P208-I218 HydrophobicContact CB-CD1 3.87Å; D212-I218 HydrophobicContact CB-CD1 3.95Å; I218-L220 HydrophobicContact CB-CD1 3.96Å; I218-L220 HydrophobicContact CB-CG 4.31Å; I218-L220 HydrophobicContact CG2-CD1 3.9Å; I218-L220 HydrophobicContact CG2-CD2 4.27Å; I218-L220 HydrophobicContact CG2-CG 3.74Å | ||
| 219 | T | 48.3 | Very low | 65.8 | Low | 145 Ų | 145 | 43.4 Ų | 43.4 | 89% | 0.89 | 26% | 0.263 | S | S | * | . | trans | -84.3 | 118.6 | 162.9 | 47.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 220 | L | 51.3 | Low | 66.1 | Low | 48 Ų | 48 | 43 Ų | 43 | 25% | 0.251 | 26% | 0.26 | S | S | . | . | trans | -125 | 146.4 | -176.8 | -74.9 | 144.2 | 0 | 0 | 0 | 109.4 | P208 V213 I218 V227 C686 | P208-L220 HydrophobicContact CB-CD1 3.83Å; P208-L220 HydrophobicContact CG-CD1 3.57Å; P208-L220 HydrophobicContact CG-CD2 3.81Å; P208-L220 HydrophobicContact CG-CG 4.34Å; V213-L220 HydrophobicContact CG2-CD1 4.22Å; I218-L220 HydrophobicContact CB-CD1 3.96Å; I218-L220 HydrophobicContact CB-CG 4.31Å; I218-L220 HydrophobicContact CG2-CD1 3.9Å; I218-L220 HydrophobicContact CG2-CD2 4.27Å; I218-L220 HydrophobicContact CG2-CG 3.74Å; L220-V227 HydrophobicContact CB-CG2 4.15Å; L220-V227 HydrophobicContact CD1-CG2 4.39Å; L220-C686 PolarHBondContact O-SG 3.12Å | ||
| 221 | S | 51.3 | Low | 65.9 | Low | 84 Ų | 84 | 46.7 Ų | 46.7 | 59% | 0.587 | 27% | 0.274 | S | S | * | . | trans | -70.7 | 148.5 | 173.1 | 48.5 | 0 | 0 | 0 | 0 | 111.9 | S223 N224 | S221-S223 PolarHBondContact O-N 3.41Å; S221-N224 PolarHBondContact O-N 2.7Å | ||
| 222 | C | 51.5 | Low | 65.7 | Low | 60 Ų | 60 | 47.8 Ų | 47.8 | 41% | 0.405 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | 2.1 | -162.3 | -40.6 | 0 | 0 | 0 | 0 | 115 | N224 E684 C686 | C222-N224 VanDerWaalsContact C-N 3.32Å; C222-E684 PolarHBondContact SG-O 3.36Å; C222-C686 WeakPolarHBondContact CA-SG 3.44Å; C222-C686 HydrophobicContact CB-CB 4.21Å; C222-C686 WeakPolarHBondContact CB-SG 3.2Å; C222-C686 PolarHBondContact N-SG 2.83Å; C222-C686 WeakPolarHBondContact SG-CA 3.36Å; C222-C686 WeakPolarHBondContact SG-CB 3.45Å; C222-C686 PolarHBondContact SG-N 3.34Å; C222-C686 VanDerWaalsContact SG-N 3.4Å; C222-C686 CovalentContact SG-SG 2.04Å; C222-C686 PolarHBondContact SG-SG 3.34Å |
| 223 | S | 51.7 | Low | 66.2 | Low | 70 Ų | 70 | 46.7 Ų | 46.7 | 49% | 0.49 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -6.9 | 174.3 | 54.3 | 0 | 0 | 0 | 0 | 114 | S221 P225 | S221-S223 PolarHBondContact O-N 3.41Å; S223-P225 WeakPolarHBondContact O-CD 3.41Å |
| 224 | N | 65.6 | Low | 66.6 | Low | 31 Ų | 31 | 46.4 Ų | 46.4 | 17% | 0.166 | 27% | 0.271 | C | S | . | . | trans | -77.4 | 121.7 | -179.8 | -171.4 | -38.6 | 0 | 0 | 0 | 111.6 | S221 C222 V226 V227 E228 | S221-N224 PolarHBondContact O-N 2.7Å; C222-N224 VanDerWaalsContact C-N 3.32Å; N224-V226 PolarHBondContact O-N 2.82Å; N224-V226 VanDerWaalsContact O-N 3.12Å; N224-V226 WeakPolarHBondContact OD1-CB 3.46Å; N224-V226 PolarHBondContact OD1-N 2.82Å; N224-V227 HydrophobicContact CB-CG2 4.06Å; N224-V227 WeakPolarHBondContact O-CB 3.35Å; N224-V227 PolarHBondContact O-N 3.44Å; N224-E228 PolarHBondContact O-N 2.99Å | ||
| 225 | P | 68.5 | Low | 66.8 | Low | 38 Ų | 38 | 47.4 Ų | 47.4 | 25% | 0.247 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.2 | -19.3 | -176.8 | 25.7 | -34.8 | 0 | 0 | 0 | 114.5 | S223 V227 S229 K617 | S223-P225 WeakPolarHBondContact O-CD 3.41Å; P225-V227 VanDerWaalsContact C-N 3.33Å; P225-S229 WeakPolarHBondContact O-CB 3.42Å; P225-S229 PolarHBondContact O-N 2.9Å; P225-S229 PolarHBondContact O-OG 2.84Å; P225-K617 HydrophobicContact CB-CB 4.39Å; P225-K617 HydrophobicContact CB-CD 3.79Å; P225-K617 HydrophobicContact CB-CG 3.76Å; P225-K617 HydrophobicContact CG-CD 4.12Å; P225-K617 HydrophobicContact CG-CG 4.23Å |
| 226 | V | 72.5 | Confident | 67.3 | Low | 12 Ų | 12 | 47.9 Ų | 47.9 | 7% | 0.073 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69 | -34.7 | 171.6 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | I210 N224 T230 | I210-V226 HydrophobicContact CB-CG1 4.22Å; N224-V226 PolarHBondContact O-N 2.82Å; N224-V226 VanDerWaalsContact O-N 3.12Å; N224-V226 WeakPolarHBondContact OD1-CB 3.46Å; N224-V226 PolarHBondContact OD1-N 2.82Å; V226-T230 WeakPolarHBondContact O-CB 3.3Å; V226-T230 PolarHBondContact O-N 3.41Å; V226-T230 PolarHBondContact O-OG1 3.35Å |
| 227 | V | 72.9 | Confident | 68.7 | Low | 10 Ų | 10 | 44.3 Ų | 44.3 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.9 | -48.1 | 177.3 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | V213 L220 N224 P225 S229 T230 R231 L688 | V213-V227 HydrophobicContact CG2-CG2 4.43Å; L220-V227 HydrophobicContact CB-CG2 4.15Å; L220-V227 HydrophobicContact CD1-CG2 4.39Å; N224-V227 HydrophobicContact CB-CG2 4.06Å; N224-V227 WeakPolarHBondContact O-CB 3.35Å; N224-V227 PolarHBondContact O-N 3.44Å; P225-V227 VanDerWaalsContact C-N 3.33Å; V227-S229 PolarHBondContact O-N 3.09Å; V227-T230 CarbonylContact O-C 3.55Å; V227-T230 WeakPolarHBondContact O-CA 3.48Å; V227-T230 WeakPolarHBondContact O-CB 3.43Å; V227-T230 PolarHBondContact O-N 3.1Å; V227-R231 PolarHBondContact O-N 2.93Å; V227-L688 HydrophobicContact CG1-CD1 4.23Å |
| 228 | E | 68.8 | Low | 70.3 | Confident | 45 Ų | 45 | 39.6 Ų | 39.6 | 21% | 0.21 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.4 | -40.4 | 177.4 | 179.4 | 56.1 | -163.5 | 0 | 0 | 112.3 | N224 T230 R231 Q232 I620 | N224-E228 PolarHBondContact O-N 2.99Å; E228-T230 PolarHBondContact O-N 3.49Å; E228-R231 PolarHBondContact O-N 3.04Å; E228-R231 VanDerWaalsContact O-N 3.15Å; E228-R231 IonicContact OE1-CZ 3.09Å; E228-R231 IonicContact OE1-NE 2.76Å; E228-R231 IonicContact OE1-NH2 2.85Å; E228-R231 PolarHBondContact OE1-NH2 3.32Å; E228-R231 IonicContact OE2-CZ 2.66Å; E228-R231 IonicContact OE2-NE 3.22Å; E228-R231 PolarHBondContact OE2-NE 2.96Å; E228-R231 IonicContact OE2-NH2 3.94Å; E228-R231 PolarHBondContact OE2-NH2 2.85Å; E228-Q232 WeakPolarHBondContact O-CG 3.42Å; E228-Q232 PolarHBondContact O-N 2.95Å; E228-Q232 WeakPolarHBondContact OE1-CG 3.39Å; E228-Q232 PolarHBondContact OE1-NE2 2.94Å; E228-I620 HydrophobicContact CG-CD1 4.43Å |
| 229 | S | 72.8 | Confident | 71.9 | Confident | 32 Ų | 32 | 39.7 Ų | 39.7 | 22% | 0.224 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.6 | -34.1 | 172.4 | -57.1 | 0 | 0 | 0 | 0 | 112.2 | P225 V227 F233 | P225-S229 WeakPolarHBondContact O-CB 3.42Å; P225-S229 PolarHBondContact O-N 2.9Å; P225-S229 PolarHBondContact O-OG 2.84Å; V227-S229 PolarHBondContact O-N 3.09Å; S229-F233 PolarHBondContact O-N 3.26Å |
| 230 | T | 80.5 | Confident | 73.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.3 | -43.2 | 174.9 | -52 | 0 | 0 | 0 | 0 | 111.2 | I210 V213 L214 V226 V227 E228 Q232 F233 Q234 L688 | I210-T230 HydrophobicContact CG1-CG2 4.27Å; I210-T230 WeakPolarHBondContact CG1-OG1 3.47Å; V213-T230 HydrophobicContact CB-CG2 4.32Å; V213-T230 HydrophobicContact CG1-CG2 3.85Å; L214-T230 HydrophobicContact CD2-CG2 3.65Å; L214-T230 HydrophobicContact CG-CG2 3.83Å; V226-T230 WeakPolarHBondContact O-CB 3.3Å; V226-T230 PolarHBondContact O-N 3.41Å; V226-T230 PolarHBondContact O-OG1 3.35Å; V227-T230 CarbonylContact O-C 3.55Å; V227-T230 WeakPolarHBondContact O-CA 3.48Å; V227-T230 WeakPolarHBondContact O-CB 3.43Å; V227-T230 PolarHBondContact O-N 3.1Å; E228-T230 PolarHBondContact O-N 3.49Å; T230-Q232 PolarHBondContact O-N 3.26Å; T230-F233 WeakPolarHBondContact O-CB 3.36Å; T230-F233 PolarHBondContact O-N 3.32Å; T230-Q234 WeakPolarHBondContact O-CG 3.3Å; T230-Q234 PolarHBondContact O-N 2.91Å; T230-L688 HydrophobicContact CG2-CD2 4.27Å |
| 231 | R | 75.7 | Confident | 75.8 | Confident | 82 Ų | 82 | 30.6 Ų | 30.6 | 31% | 0.309 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 177.9 | -165.3 | -175.5 | 69.6 | 95.7 | 7.3 | 111.6 | V227 E228 Q234 L235 | V227-R231 PolarHBondContact O-N 2.93Å; E228-R231 PolarHBondContact O-N 3.04Å; E228-R231 VanDerWaalsContact O-N 3.15Å; E228-R231 IonicContact OE1-CZ 3.09Å; E228-R231 IonicContact OE1-NE 2.76Å; E228-R231 IonicContact OE1-NH2 2.85Å; E228-R231 PolarHBondContact OE1-NH2 3.32Å; E228-R231 IonicContact OE2-CZ 2.66Å; E228-R231 IonicContact OE2-NE 3.22Å; E228-R231 PolarHBondContact OE2-NE 2.96Å; E228-R231 IonicContact OE2-NH2 3.94Å; E228-R231 PolarHBondContact OE2-NH2 2.85Å; R231-Q234 PolarHBondContact O-N 3.12Å; R231-L235 PolarHBondContact O-N 2.74Å |
| 232 | Q | 76.8 | Confident | 77.7 | Confident | 32 Ų | 32 | 27.5 Ų | 27.5 | 15% | 0.15 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.3 | -37.8 | 175.8 | -67.4 | 179.5 | 14.2 | 0 | 0 | 112.4 | E228 T230 L235 W236 F613 | E228-Q232 WeakPolarHBondContact O-CG 3.42Å; E228-Q232 PolarHBondContact O-N 2.95Å; E228-Q232 WeakPolarHBondContact OE1-CG 3.39Å; E228-Q232 PolarHBondContact OE1-NE2 2.94Å; T230-Q232 PolarHBondContact O-N 3.26Å; Q232-L235 PolarHBondContact O-N 3Å; Q232-W236 WeakPolarHBondContact O-CB 3.48Å; Q232-W236 PolarHBondContact O-N 3.47Å; Q232-F613 VanDerWaalsContact OE1-CE1 3.23Å |
| 233 | F | 85.2 | Confident | 79.5 | Confident | 9 Ų | 9 | 24.6 Ų | 24.6 | 4% | 0.039 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 171.4 | 177.5 | -99 | 0 | 0 | 0 | 112.3 | V189 V192 L193 L196 L214 S229 T230 W236 I237 | V189-F233 HydrophobicContact CG1-CE2 4.32Å; V189-F233 HydrophobicContact CG1-CZ 4Å; V192-F233 HydrophobicContact CG1-CD2 4.02Å; V192-F233 HydrophobicContact CG1-CE2 4.16Å; L193-F233 HydrophobicContact CB-CE2 4.13Å; L193-F233 HydrophobicContact CB-CZ 4.05Å; L193-F233 HydrophobicContact CD1-CE1 4.21Å; L193-F233 HydrophobicContact CD1-CZ 4.21Å; L193-F233 HydrophobicContact CD2-CE1 4.46Å; L193-F233 HydrophobicContact CD2-CZ 4.18Å; L193-F233 HydrophobicContact CG-CZ 4.38Å; L196-F233 HydrophobicContact CD1-CB 4.03Å; L196-F233 HydrophobicContact CD1-CD2 3.92Å; L196-F233 HydrophobicContact CD1-CG 4.17Å; L214-F233 HydrophobicContact CD1-CE1 4.45Å; S229-F233 PolarHBondContact O-N 3.26Å; T230-F233 WeakPolarHBondContact O-CB 3.36Å; T230-F233 PolarHBondContact O-N 3.32Å; F233-W236 HydrophobicContact CD2-CE3 4.1Å; F233-W236 HydrophobicContact CD2-CZ3 4.32Å; F233-W236 HydrophobicContact CE2-CE3 4.12Å; F233-W236 AromaticContact CE2-CZ3 3.94Å; F233-W236 HydrophobicContact CE2-CZ3 3.94Å; F233-W236 PolarHBondContact O-N 3.44Å; F233-I237 HydrophobicContact CE1-CG1 4.2Å; F233-I237 HydrophobicContact CE2-CD1 4.49Å; F233-I237 HydrophobicContact CZ-CD1 4.24Å; F233-I237 HydrophobicContact CZ-CG1 4.17Å; F233-I237 WeakPolarHBondContact O-CG1 3.45Å; F233-I237 PolarHBondContact O-N 3.32Å; F233-I237 VanDerWaalsContact O-N 3.14Å |
| 234 | Q | 85.1 | Confident | 81.4 | Confident | 7 Ų | 7 | 21.7 Ų | 21.7 | 3% | 0.033 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.7 | -44.8 | 175.4 | -68.9 | -170.9 | -36.1 | 0 | 0 | 112 | F35 L214 T230 R231 W236 I237 L238 V689 | F35-Q234 HydrophobicContact CE1-CB 3.93Å; F35-Q234 HydrophobicContact CE1-CG 3.7Å; F35-Q234 HydrophobicContact CZ-CB 4.48Å; F35-Q234 HydrophobicContact CZ-CG 3.87Å; L214-Q234 HydrophobicContact CD2-CG 4.44Å; T230-Q234 WeakPolarHBondContact O-CG 3.3Å; T230-Q234 PolarHBondContact O-N 2.91Å; R231-Q234 PolarHBondContact O-N 3.12Å; Q234-W236 PolarHBondContact O-N 2.91Å; Q234-I237 PolarHBondContact O-N 3.09Å; Q234-L238 PolarHBondContact O-N 3.36Å; Q234-V689 HydrophobicContact CB-CG2 4.18Å; Q234-V689 PolarHBondContact NE2-O 2.85Å |
| 235 | L | 81.7 | Confident | 82.6 | Confident | 24 Ų | 24 | 20.3 Ų | 20.3 | 13% | 0.126 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.8 | -42.5 | 175.4 | -79.8 | 167 | 0 | 0 | 0 | 112.5 | R231 Q232 I237 L238 R239 L699 F702 | R231-L235 PolarHBondContact O-N 2.74Å; Q232-L235 PolarHBondContact O-N 3Å; L235-I237 PolarHBondContact O-N 3.35Å; L235-L238 PolarHBondContact O-N 2.88Å; L235-R239 PolarHBondContact O-N 3.43Å; L235-L699 HydrophobicContact CD2-CD2 4.05Å; L235-F702 HydrophobicContact CD2-CB 3.76Å; L235-F702 HydrophobicContact CD2-CD2 4.23Å; L235-F702 HydrophobicContact CD2-CG 3.93Å |
| 236 | W | 86.2 | Confident | 83.8 | Confident | 20 Ų | 20 | 18.5 Ų | 18.5 | 8% | 0.076 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.2 | -38.7 | 177 | 178.1 | 72 | 0 | 0 | 0 | 112.6 | V189 V192 Q232 F233 Q234 R239 L240 V257 W575 | V189-W236 HydrophobicContact CB-CZ3 4.42Å; V189-W236 HydrophobicContact CG2-CH2 3.93Å; V189-W236 HydrophobicContact CG2-CZ3 3.88Å; V192-W236 HydrophobicContact CB-CH2 4.45Å; V192-W236 HydrophobicContact CB-CZ3 4.43Å; V192-W236 HydrophobicContact CG1-CZ3 4.41Å; V192-W236 HydrophobicContact CG2-CH2 4Å; V192-W236 HydrophobicContact CG2-CZ3 4.44Å; Q232-W236 WeakPolarHBondContact O-CB 3.48Å; Q232-W236 PolarHBondContact O-N 3.47Å; F233-W236 HydrophobicContact CD2-CE3 4.1Å; F233-W236 HydrophobicContact CD2-CZ3 4.32Å; F233-W236 HydrophobicContact CE2-CE3 4.12Å; F233-W236 AromaticContact CE2-CZ3 3.94Å; F233-W236 HydrophobicContact CE2-CZ3 3.94Å; F233-W236 PolarHBondContact O-N 3.44Å; Q234-W236 PolarHBondContact O-N 2.91Å; W236-R239 PolarHBondContact O-N 2.93Å; W236-L240 HydrophobicContact CD2-CD1 3.89Å; W236-L240 HydrophobicContact CE3-CD1 4.06Å; W236-L240 HydrophobicContact CH2-CD1 4.14Å; W236-L240 HydrophobicContact CZ2-CD1 3.97Å; W236-L240 HydrophobicContact CZ3-CD1 4.18Å; W236-L240 WeakPolarHBondContact O-CG 3.21Å; W236-L240 PolarHBondContact O-N 2.9Å; W236-V257 HydrophobicContact CZ2-CG1 3.87Å; W236-V257 WeakPolarHBondContact CZ2-O 3.45Å; W236-W575 AromaticContact NE1-CE3 3.99Å |
| 237 | I | 90 | Very high | 84.6 | Confident | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.015 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.1 | -38.4 | 173.1 | -62.9 | -67.3 | 0 | 0 | 0 | 111.8 | F12 F35 V189 F233 Q234 L235 L240 L241 | F12-I237 HydrophobicContact CB-CG2 3.91Å; F12-I237 HydrophobicContact CD2-CG2 3.94Å; F12-I237 HydrophobicContact CG-CG2 4.1Å; F35-I237 HydrophobicContact CB-CG2 3.73Å; F35-I237 HydrophobicContact CD1-CG2 4.3Å; F35-I237 HydrophobicContact CD2-CG2 3.74Å; F35-I237 HydrophobicContact CE2-CG2 4.45Å; F35-I237 HydrophobicContact CG-CB 4.47Å; F35-I237 HydrophobicContact CG-CG2 3.66Å; V189-I237 HydrophobicContact CG1-CD1 3.83Å; V189-I237 HydrophobicContact CG2-CD1 3.97Å; F233-I237 HydrophobicContact CE1-CG1 4.2Å; F233-I237 HydrophobicContact CE2-CD1 4.49Å; F233-I237 HydrophobicContact CZ-CD1 4.24Å; F233-I237 HydrophobicContact CZ-CG1 4.17Å; F233-I237 WeakPolarHBondContact O-CG1 3.45Å; F233-I237 PolarHBondContact O-N 3.32Å; F233-I237 VanDerWaalsContact O-N 3.14Å; Q234-I237 PolarHBondContact O-N 3.09Å; L235-I237 PolarHBondContact O-N 3.35Å; I237-L240 HydrophobicContact CD1-CD1 4.23Å; I237-L240 PolarHBondContact O-N 3.25Å; I237-L241 HydrophobicContact CG2-CD1 4.1Å; I237-L241 WeakPolarHBondContact O-CD1 3.41Å; I237-L241 WeakPolarHBondContact O-CG 3.46Å; I237-L241 PolarHBondContact O-N 3.36Å |
| 238 | L | 87.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.3 | -40.1 | 174.3 | -70.9 | 174.6 | 0 | 0 | 0 | 112.3 | F35 Q234 L235 L240 L241 S242 V689 L695 Y703 | F35-L238 HydrophobicContact CB-CD2 4.48Å; F35-L238 HydrophobicContact CD1-CD2 4.48Å; Q234-L238 PolarHBondContact O-N 3.36Å; L235-L238 PolarHBondContact O-N 2.88Å; L238-L240 VanDerWaalsContact C-N 3.35Å; L238-L240 PolarHBondContact O-N 3.43Å; L238-L241 HydrophobicContact CD2-CD1 4.41Å; L238-L241 WeakPolarHBondContact O-CB 3.34Å; L238-L241 PolarHBondContact O-N 2.94Å; L238-S242 PolarHBondContact O-N 3.35Å; L238-S242 VanDerWaalsContact O-N 3.16Å; L238-S242 PolarHBondContact O-OG 2.6Å; L238-V689 HydrophobicContact CD1-CG2 4.14Å; L238-L695 HydrophobicContact CD1-CD1 4.08Å; L238-Y703 HydrophobicContact CB-CD2 4.25Å; L238-Y703 HydrophobicContact CB-CG 4.45Å; L238-Y703 HydrophobicContact CD2-CD1 4.47Å; L238-Y703 HydrophobicContact CD2-CD2 4.15Å; L238-Y703 HydrophobicContact CD2-CG 4.05Å; L238-Y703 WeakPolarHBondContact O-CD2 3.48Å |
| 239 | R | 85.9 | Confident | 86.2 | Confident | 82 Ų | 82 | 18.3 Ų | 18.3 | 31% | 0.309 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -64 | -38.8 | 173.7 | -169.6 | 168.3 | 176.4 | 144.2 | -8.6 | 112 | L235 W236 L241 S242 D573 C574 D576 | L235-R239 PolarHBondContact O-N 3.43Å; W236-R239 PolarHBondContact O-N 2.93Å; R239-L241 VanDerWaalsContact C-N 3.31Å; R239-L241 PolarHBondContact O-N 2.93Å; R239-S242 WeakPolarHBondContact O-CB 3.35Å; R239-S242 PolarHBondContact O-N 3.46Å; R239-D573 VanDerWaalsContact CZ-O 3.26Å; R239-D573 PolarHBondContact NE-O 3.23Å; R239-D573 PolarHBondContact NH2-O 2.93Å; R239-C574 HydrophobicContact CG-CB 4.46Å; R239-D576 IonicContact CZ-OD2 2.96Å; R239-D576 IonicContact NH1-OD2 2.91Å; R239-D576 PolarHBondContact NH1-OD2 3.27Å; R239-D576 IonicContact NH2-OD2 3.69Å; R239-D576 PolarHBondContact NH2-OD2 2.99Å |
| 240 | L | 90.6 | Very high | 87 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.6 | -34.8 | 172.4 | -74.3 | 164.7 | 0 | 0 | 0 | 113.1 | L185 W236 I237 L238 S242 A243 L255 V257 C574 | L185-L240 HydrophobicContact CD1-CD2 4.34Å; W236-L240 HydrophobicContact CD2-CD1 3.89Å; W236-L240 HydrophobicContact CE3-CD1 4.06Å; W236-L240 HydrophobicContact CH2-CD1 4.14Å; W236-L240 HydrophobicContact CZ2-CD1 3.97Å; W236-L240 HydrophobicContact CZ3-CD1 4.18Å; W236-L240 WeakPolarHBondContact O-CG 3.21Å; W236-L240 PolarHBondContact O-N 2.9Å; I237-L240 HydrophobicContact CD1-CD1 4.23Å; I237-L240 PolarHBondContact O-N 3.25Å; L238-L240 VanDerWaalsContact C-N 3.35Å; L238-L240 PolarHBondContact O-N 3.43Å; L240-S242 PolarHBondContact O-N 2.81Å; L240-A243 WeakPolarHBondContact O-CB 3.32Å; L240-A243 PolarHBondContact O-N 2.83Å; L240-L255 HydrophobicContact CD2-CD1 4.18Å; L240-L255 HydrophobicContact CD2-CD2 4.03Å; L240-L255 HydrophobicContact CD2-CG 4.32Å; L240-V257 HydrophobicContact CD1-CG1 4.32Å; L240-V257 HydrophobicContact CD2-CG1 3.69Å; L240-C574 HydrophobicContact CD2-CB 3.94Å; L240-C574 VanDerWaalsContact CD2-SG 3.58Å; L240-C574 HydrophobicContact CG-CB 4.26Å |
| 241 | L | 91.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -74.2 | -10.6 | 173.4 | -71.8 | 158.4 | 0 | 0 | 0 | 113.6 | I9 F12 F35 I237 L238 R239 A243 Y703 | I9-L241 HydrophobicContact CB-CD2 4.03Å; I9-L241 HydrophobicContact CG2-CD2 3.63Å; F12-L241 HydrophobicContact CD2-CD2 4.38Å; F12-L241 HydrophobicContact CD2-CG 4.4Å; F35-L241 VanDerWaalsContact C-CD1 3.46Å; F35-L241 HydrophobicContact CB-CD1 3.45Å; F35-L241 VanDerWaalsContact CB-CD1 3.45Å; F35-L241 WeakPolarHBondContact O-CD1 3.36Å; I237-L241 HydrophobicContact CG2-CD1 4.1Å; I237-L241 WeakPolarHBondContact O-CD1 3.41Å; I237-L241 WeakPolarHBondContact O-CG 3.46Å; I237-L241 PolarHBondContact O-N 3.36Å; L238-L241 HydrophobicContact CD2-CD1 4.41Å; L238-L241 WeakPolarHBondContact O-CB 3.34Å; L238-L241 PolarHBondContact O-N 2.94Å; R239-L241 VanDerWaalsContact C-N 3.31Å; R239-L241 PolarHBondContact O-N 2.93Å; L241-A243 VanDerWaalsContact C-N 3.34Å; L241-Y703 HydrophobicContact CB-CD2 4.4Å; L241-Y703 HydrophobicContact CB-CE2 3.68Å |
| 242 | S | 90.2 | Very high | 88.3 | Confident | 19 Ų | 19 | 15.8 Ų | 15.8 | 13% | 0.133 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 0.4 | 174.3 | -49.9 | 0 | 0 | 0 | 0 | 112.5 | L238 R239 L240 F572 Y703 P706 | L238-S242 PolarHBondContact O-N 3.35Å; L238-S242 VanDerWaalsContact O-N 3.16Å; L238-S242 PolarHBondContact O-OG 2.6Å; R239-S242 WeakPolarHBondContact O-CB 3.35Å; R239-S242 PolarHBondContact O-N 3.46Å; L240-S242 PolarHBondContact O-N 2.81Å; S242-F572 WeakPolarHBondContact O-CZ 3.38Å; S242-Y703 WeakPolarHBondContact OG-CD2 3.35Å; S242-P706 WeakPolarHBondContact O-CG 3.37Å |
| 243 | A | 90.5 | Very high | 89 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 128.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L8 L240 L241 L255 F572 | L8-A243 HydrophobicContact CB-CB 4.39Å; L8-A243 VanDerWaalsContact CB-O 3.28Å; L8-A243 WeakPolarHBondContact CB-O 3.4Å; L8-A243 HydrophobicContact CD2-CB 4.13Å; L8-A243 PolarHBondContact N-O 3.49Å; L8-A243 VanDerWaalsContact N-O 3.17Å; L240-A243 WeakPolarHBondContact O-CB 3.32Å; L240-A243 PolarHBondContact O-N 2.83Å; L241-A243 VanDerWaalsContact C-N 3.34Å; A243-L255 HydrophobicContact CB-CD1 4.04Å; A243-F572 HydrophobicContact CB-CD1 3.91Å; A243-F572 HydrophobicContact CB-CE1 3.85Å |
| 244 | P | 91 | Very high | 89.4 | Confident | 8 Ų | 8 | 16 Ų | 16 | 5% | 0.052 | 9% | 0.088 | C | C | . | . | B | Isolated β-bridge | trans | -74 | 150 | -179.6 | 31.1 | -35.8 | 0 | 0 | 0 | 112 | V253 F572 V710 | P244-V253 HydrophobicContact CG-CG1 4.39Å; P244-V253 HydrophobicContact CG-CG2 4.42Å; P244-F572 HydrophobicContact CG-CD2 4.32Å; P244-V710 HydrophobicContact CB-CB 4.48Å; P244-V710 HydrophobicContact CB-CG2 3.49Å; P244-V710 VanDerWaalsContact CB-CG2 3.49Å; P244-V710 HydrophobicContact CG-CG2 3.91Å |
| 245 | A | 91.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 15.6 Ų | 15.6 | 2% | 0.017 | 9% | 0.087 | C | C | . | . | P | Polyproline II helix | trans | -77.3 | 143.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | C5 P6 Y176 | C5-A245 VanDerWaalsContact O-CB 3.29Å; C5-A245 WeakPolarHBondContact O-CB 3.03Å; P6-A245 WeakPolarHBondContact O-CB 3.32Å; P6-A245 PolarHBondContact O-N 2.95Å; Y176-A245 HydrophobicContact CE2-CB 3.58Å; Y176-A245 WeakPolarHBondContact OH-CB 3.41Å |
| 246 | P | 92.5 | Very high | 90 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.084 | C | C | . | . | P | Polyproline II helix | trans | -69.9 | 146.1 | 174.6 | 29.8 | -36 | 0 | 0 | 0 | 112.2 | F178 T251 V253 F268 L270 | F178-P246 HydrophobicContact CE2-CG 4.4Å; F178-P246 HydrophobicContact CZ-CG 4.18Å; P246-T251 WeakPolarHBondContact CB-O 3.46Å; P246-V253 HydrophobicContact CB-CG2 4.2Å; P246-F268 WeakPolarHBondContact CB-O 3.26Å; P246-F268 HydrophobicContact CG-CB 4.12Å; P246-L270 HydrophobicContact CG-CD1 4.2Å; P246-L270 HydrophobicContact CG-CG 4.14Å |
| 247 | I | 90 | Very high | 90 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 2% | 0.015 | 8% | 0.083 | C | C | . | . | P | Polyproline II helix | trans | -85.1 | 122.2 | 175.5 | -59 | 177 | 0 | 0 | 0 | 108.4 | M1 G249 C250 T251 L709 Y711 | M1-I247 HydrophobicContact CE-CG2 4.17Å; I247-G249 PolarHBondContact O-N 3.26Å; I247-C250 HydrophobicContact CB-CB 3.96Å; I247-C250 HydrophobicContact CG2-CB 3.72Å; I247-C250 PolarHBondContact O-N 3.26Å; I247-T251 PolarHBondContact N-OG1 3.07Å; I247-T251 PolarHBondContact O-N 2.89Å; I247-T251 VanDerWaalsContact O-N 3.12Å; I247-L709 HydrophobicContact CD1-CB 3.99Å; I247-L709 HydrophobicContact CG1-CB 3.97Å; I247-L709 HydrophobicContact CG1-CD2 4.49Å; I247-Y711 HydrophobicContact CD1-CD2 3.9Å; I247-Y711 HydrophobicContact CD1-CE2 3.84Å |
| 248 | P | 88.8 | Confident | 89.3 | Confident | 36 Ų | 36 | 17 Ų | 17 | 23% | 0.234 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 121.9 | -179.6 | -26.4 | 33.9 | 0 | 0 | 0 | 113.2 | I4 C250 L270 | I4-P248 HydrophobicContact CD1-CG 3.92Å; P248-C250 VanDerWaalsContact C-N 3.25Å; P248-C250 PolarHBondContact O-N 3.08Å; P248-L270 WeakPolarHBondContact CA-O 3.4Å; P248-L270 HydrophobicContact CB-CB 3.97Å; P248-L270 HydrophobicContact CG-CB 3.91Å; P248-L270 HydrophobicContact CG-CD1 3.94Å |
| 249 | G | 86.5 | Confident | 88.3 | Confident | 25 Ų | 25 | 18.6 Ų | 18.6 | 26% | 0.258 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | -1.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | I247 L270 L567 | I247-G249 PolarHBondContact O-N 3.26Å; G249-L270 PolarHBondContact N-O 3.42Å; G249-L567 VanDerWaalsContact C-CD2 3.44Å |
| 250 | C | 88.4 | Confident | 87.3 | Confident | 52 Ų | 52 | 22 Ų | 22 | 35% | 0.351 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -38.8 | -174.3 | -55.9 | 0 | 0 | 0 | 0 | 114.3 | I247 P248 Q568 | I247-C250 HydrophobicContact CB-CB 3.96Å; I247-C250 HydrophobicContact CG2-CB 3.72Å; I247-C250 PolarHBondContact O-N 3.26Å; P248-C250 VanDerWaalsContact C-N 3.25Å; P248-C250 PolarHBondContact O-N 3.08Å; C250-Q568 PolarHBondContact O-N 2.8Å |
| 251 | T | 90.9 | Very high | 85.9 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 148.9 | -177.1 | 61.4 | 0 | 0 | 0 | 0 | 114.4 | P246 I247 Q568 V570 | P246-T251 WeakPolarHBondContact CB-O 3.46Å; I247-T251 PolarHBondContact N-OG1 3.07Å; I247-T251 PolarHBondContact O-N 2.89Å; I247-T251 VanDerWaalsContact O-N 3.12Å; T251-Q568 VanDerWaalsContact CA-O 3.27Å; T251-Q568 WeakPolarHBondContact CA-O 3.13Å; T251-Q568 HydrophobicContact CG2-CB 4.33Å; T251-V570 HydrophobicContact CG2-CG2 4.07Å |
| 252 | C | 93.1 | Very high | 84.5 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 133 | 156 | 159.2 | 0 | 0 | 0 | 0 | 108.5 | Y254 C267 F268 A269 L567 Q568 V570 | C252-Y254 HydrophobicContact CB-CE2 4.16Å; C252-Y254 WeakPolarHBondContact SG-CE2 3.36Å; C252-C267 WeakPolarHBondContact CB-SG 3.49Å; C252-C267 WeakPolarHBondContact SG-CB 3.3Å; C252-C267 CovalentContact SG-SG 2.04Å; C252-C267 PolarHBondContact SG-SG 2.75Å; C252-F268 CarbonylContact C-O 3.53Å; C252-F268 WeakPolarHBondContact CA-O 3.26Å; C252-A269 HydrophobicContact CB-CB 4.03Å; C252-L567 HydrophobicContact CB-CD1 4.08Å; C252-Q568 PolarHBondContact N-O 3.24Å; C252-V570 PolarHBondContact O-N 3.48Å |
| 253 | V | 92.6 | Very high | 83.5 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 117.6 | 170.4 | 178.7 | 0 | 0 | 0 | 0 | 109.1 | P244 P246 C267 F268 V570 F572 | P244-V253 HydrophobicContact CG-CG1 4.39Å; P244-V253 HydrophobicContact CG-CG2 4.42Å; P246-V253 HydrophobicContact CB-CG2 4.2Å; V253-C267 CarbonylContact O-C 3.54Å; V253-C267 WeakPolarHBondContact O-CA 3.4Å; V253-F268 PolarHBondContact N-O 3.34Å; V253-F268 PolarHBondContact O-N 2.86Å; V253-V570 CarbonylContact C-O 3.58Å; V253-V570 VanDerWaalsContact CA-O 3.28Å; V253-V570 WeakPolarHBondContact CA-O 3.41Å; V253-V570 HydrophobicContact CG2-CB 4.32Å; V253-F572 HydrophobicContact CG1-CB 4.18Å |
| 254 | Y | 92.7 | Very high | 83 | Confident | 42 Ų | 42 | 36.1 Ų | 36.1 | 17% | 0.165 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 107.7 | 175 | -66.7 | -85.3 | 0 | 0 | 0 | 110.1 | C252 P265 C267 K564 P569 V570 D571 F572 | C252-Y254 HydrophobicContact CB-CE2 4.16Å; C252-Y254 WeakPolarHBondContact SG-CE2 3.36Å; Y254-P265 HydrophobicContact CD1-CG 4.17Å; Y254-C267 HydrophobicContact CD1-CB 3.77Å; Y254-C267 HydrophobicContact CE1-CB 3.67Å; Y254-K564 WeakPolarHBondContact OH-CE 3.27Å; Y254-P569 HydrophobicContact CD2-CB 4.21Å; Y254-P569 HydrophobicContact CE2-CB 3.76Å; Y254-V570 PolarHBondContact N-O 2.88Å; Y254-D571 WeakPolarHBondContact CB-OD1 3.41Å; Y254-D571 WeakPolarHBondContact CD2-OD1 3.25Å; Y254-F572 PolarHBondContact O-N 3.46Å |
| 255 | L | 91.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 106.1 | -178.5 | -174 | 64.7 | 0 | 0 | 0 | 111 | L185 L240 A243 V257 P265 L266 F268 F572 C574 | L185-L255 HydrophobicContact CD2-CD2 4.25Å; L240-L255 HydrophobicContact CD2-CD1 4.18Å; L240-L255 HydrophobicContact CD2-CD2 4.03Å; L240-L255 HydrophobicContact CD2-CG 4.32Å; A243-L255 HydrophobicContact CB-CD1 4.04Å; L255-V257 HydrophobicContact CG-CG2 4.46Å; L255-V257 PolarHBondContact O-N 3.17Å; L255-P265 WeakPolarHBondContact O-CA 3.46Å; L255-P265 WeakPolarHBondContact O-CB 3.42Å; L255-L266 HydrophobicContact CB-CB 4.36Å; L255-L266 PolarHBondContact N-O 3.44Å; L255-L266 PolarHBondContact O-N 3.27Å; L255-F268 HydrophobicContact CB-CD2 4.26Å; L255-F268 HydrophobicContact CB-CE2 3.83Å; L255-F268 HydrophobicContact CD2-CE2 3.77Å; L255-F268 HydrophobicContact CD2-CZ 4.34Å; L255-F268 HydrophobicContact CG-CE2 4.47Å; L255-F572 HydrophobicContact CD1-CD1 3.73Å; L255-C574 VanDerWaalsContact CD1-SG 3.6Å |
| 256 | S | 88.4 | Confident | 82.9 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 7% | 0.07 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 97.1 | 172.1 | -63.6 | 0 | 0 | 0 | 0 | 109.9 | F572 D573 C574 | S256-F572 PolarHBondContact N-O 3Å; S256-F572 VanDerWaalsContact N-O 3.13Å; S256-D573 VanDerWaalsContact CB-OD1 3.24Å; S256-D573 WeakPolarHBondContact CB-OD1 3.32Å; S256-C574 WeakPolarHBondContact O-CB 3.48Å; S256-C574 PolarHBondContact O-N 3.12Å; S256-C574 VanDerWaalsContact O-N 3.1Å |
| 257 | V | 85 | Confident | 82.9 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | trans | -86.2 | -14.2 | 178.9 | -131.5 | 0 | 0 | 0 | 0 | 113.4 | L185 W236 L240 L255 L266 | L185-V257 HydrophobicContact CD1-CB 4.45Å; L185-V257 HydrophobicContact CD1-CG1 3.38Å; L185-V257 HydrophobicContact CD1-CG2 4.23Å; W236-V257 HydrophobicContact CZ2-CG1 3.87Å; W236-V257 WeakPolarHBondContact CZ2-O 3.45Å; L240-V257 HydrophobicContact CD1-CG1 4.32Å; L240-V257 HydrophobicContact CD2-CG1 3.69Å; L255-V257 HydrophobicContact CG-CG2 4.46Å; L255-V257 PolarHBondContact O-N 3.17Å; V257-L266 HydrophobicContact CG2-CD1 3.75Å; V257-L266 HydrophobicContact CG2-CG 3.91Å | ||
| 258 | Q | 76.4 | Confident | 83.1 | Confident | 56 Ų | 56 | 39.2 Ų | 39.2 | 26% | 0.262 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -155.2 | 164.8 | -173.7 | 61.3 | 174.7 | 16.3 | 0 | 0 | 108.7 | L262 | Q258-L262 VanDerWaalsContact NE2-C 3.28Å; Q258-L262 PolarHBondContact NE2-O 3.35Å; Q258-L262 VanDerWaalsContact NE2-O 3.09Å |
| 259 | P | 66.7 | Low | 83.3 | Confident | 35 Ų | 35 | 37.8 Ų | 37.8 | 23% | 0.227 | 23% | 0.229 | C | C | . | . | trans | -55.5 | 141.1 | 176.1 | -23.9 | 33.1 | 0 | 0 | 0 | 112 | T261 L262 W575 | P259-T261 PolarHBondContact O-N 3.45Å; P259-T261 VanDerWaalsContact O-N 3.08Å; P259-L262 WeakPolarHBondContact O-CA 3.1Å; P259-L262 WeakPolarHBondContact O-CB 3.35Å; P259-L262 PolarHBondContact O-N 3.33Å; P259-W575 HydrophobicContact CG-CD2 4.25Å; P259-W575 HydrophobicContact CG-CG 4.32Å; P259-W575 HydrophobicContact CG-CZ2 4.38Å | ||
| 260 | Q | 64.7 | Low | 83.6 | Confident | 152 Ų | 152 | 37.4 Ų | 37.4 | 71% | 0.71 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -57.1 | -27.8 | 178.2 | -62.7 | -178.1 | 1.1 | 0 | 0 | 112.7 | L262 G263 | Q260-L262 PolarHBondContact O-N 3.11Å; Q260-G263 PolarHBondContact O-N 3.41Å |
| 261 | T | 60.9 | Low | 83.8 | Confident | 131 Ų | 131 | 35.7 Ų | 35.7 | 80% | 0.804 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -68.4 | -9.4 | 173.9 | 55.4 | 0 | 0 | 0 | 0 | 114.6 | P259 | P259-T261 PolarHBondContact O-N 3.45Å; P259-T261 VanDerWaalsContact O-N 3.08Å |
| 262 | L | 61.8 | Low | 83.7 | Confident | 69 Ų | 69 | 37.6 Ų | 37.6 | 36% | 0.361 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -110.8 | -9.8 | -179.9 | -148 | 72.9 | 0 | 0 | 0 | 113.1 | Q258 P259 Q260 N605 | Q258-L262 VanDerWaalsContact NE2-C 3.28Å; Q258-L262 PolarHBondContact NE2-O 3.35Å; Q258-L262 VanDerWaalsContact NE2-O 3.09Å; P259-L262 WeakPolarHBondContact O-CA 3.1Å; P259-L262 WeakPolarHBondContact O-CB 3.35Å; P259-L262 PolarHBondContact O-N 3.33Å; Q260-L262 PolarHBondContact O-N 3.11Å; L262-N605 HydrophobicContact CD1-CB 4.08Å |
| 263 | G | 68.6 | Low | 83.4 | Confident | 30 Ų | 30 | 42.5 Ų | 42.5 | 31% | 0.309 | 24% | 0.242 | S | C | . | . | trans | 150.7 | 166.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q260 | Q260-G263 PolarHBondContact O-N 3.41Š| ||
| 264 | S | 81.7 | Confident | 83.1 | Confident | 87 Ų | 87 | 42.9 Ų | 42.9 | 61% | 0.608 | 24% | 0.244 | S | C | * | . | trans | -69.7 | 150.7 | -175.3 | 46.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 265 | P | 87.2 | Confident | 83 | Confident | 46 Ų | 46 | 41.4 Ų | 41.4 | 30% | 0.299 | 24% | 0.238 | S | C | . | . | trans | -66.6 | 155.5 | 174.1 | 29.1 | -35.8 | 0 | 0 | 0 | 111.9 | Y254 L255 C267 | Y254-P265 HydrophobicContact CD1-CG 4.17Å; L255-P265 WeakPolarHBondContact O-CA 3.46Å; L255-P265 WeakPolarHBondContact O-CB 3.42Å; P265-C267 PolarHBondContact O-N 2.95Å | ||
| 266 | L | 92.3 | Very high | 83.1 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 110.5 | 176.9 | -56.6 | 177.9 | 0 | 0 | 0 | 109.5 | T181 R184 L185 L255 V257 F268 | T181-L266 HydrophobicContact CG2-CB 3.88Å; T181-L266 HydrophobicContact CG2-CD1 4.29Å; T181-L266 HydrophobicContact CG2-CD2 4.3Å; T181-L266 HydrophobicContact CG2-CG 4.38Å; R184-L266 HydrophobicContact CB-CD2 4.47Å; L185-L266 HydrophobicContact CB-CD1 3.93Å; L185-L266 HydrophobicContact CD1-CD1 4.32Å; L255-L266 HydrophobicContact CB-CB 4.36Å; L255-L266 PolarHBondContact N-O 3.44Å; L255-L266 PolarHBondContact O-N 3.27Å; V257-L266 HydrophobicContact CG2-CD1 3.75Å; V257-L266 HydrophobicContact CG2-CG 3.91Å; L266-F268 HydrophobicContact CB-CD2 4.48Å; L266-F268 HydrophobicContact CB-CE2 3.75Å; L266-F268 HydrophobicContact CB-CZ 4.21Å; L266-F268 HydrophobicContact CD1-CZ 4.41Å; L266-F268 WeakPolarHBondContact O-CD2 3.46Å |
| 267 | C | 92.8 | Very high | 83.2 | Confident | 24 Ų | 24 | 44.2 Ų | 44.2 | 16% | 0.162 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 129.3 | 170 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | C252 V253 Y254 P265 L560 | C252-C267 WeakPolarHBondContact CB-SG 3.49Å; C252-C267 WeakPolarHBondContact SG-CB 3.3Å; C252-C267 CovalentContact SG-SG 2.04Å; C252-C267 PolarHBondContact SG-SG 2.75Å; V253-C267 CarbonylContact O-C 3.54Å; V253-C267 WeakPolarHBondContact O-CA 3.4Å; Y254-C267 HydrophobicContact CD1-CB 3.77Å; Y254-C267 HydrophobicContact CE1-CB 3.67Å; P265-C267 PolarHBondContact O-N 2.95Å; C267-L560 HydrophobicContact CB-CD2 3.85Å; C267-L560 WeakPolarHBondContact SG-CD2 3.38Å |
| 268 | F | 94.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.2 | 167.2 | -61.5 | -90.9 | 0 | 0 | 0 | 108.6 | L8 F178 T181 F182 P246 C252 V253 L255 L266 | L8-F268 HydrophobicContact CD1-CB 4.23Å; L8-F268 HydrophobicContact CD1-CD1 3.99Å; L8-F268 HydrophobicContact CD1-CG 4.07Å; L8-F268 HydrophobicContact CD2-CD1 4.27Å; L8-F268 HydrophobicContact CD2-CD2 3.73Å; L8-F268 HydrophobicContact CD2-CE1 4.41Å; L8-F268 HydrophobicContact CD2-CE2 3.9Å; L8-F268 HydrophobicContact CD2-CG 3.92Å; L8-F268 HydrophobicContact CD2-CZ 4.23Å; F178-F268 HydrophobicContact CB-CD1 4.21Å; F178-F268 HydrophobicContact CB-CE1 4.24Å; F178-F268 HydrophobicContact CD1-CD1 4.26Å; F178-F268 AromaticContact CD2-CD1 3.6Å; F178-F268 HydrophobicContact CD2-CD1 3.6Å; F178-F268 HydrophobicContact CD2-CE1 4.28Å; F178-F268 HydrophobicContact CE2-CB 4.14Å; F178-F268 AromaticContact CE2-CD1 3.91Å; F178-F268 HydrophobicContact CE2-CD1 3.91Å; F178-F268 AromaticContact CG-CD1 3.8Å; F178-F268 HydrophobicContact CG-CD1 3.8Å; F178-F268 HydrophobicContact CG-CE1 4.33Å; F178-F268 HydrophobicContact CZ-CB 4.07Å; F178-F268 HydrophobicContact CZ-CD1 4.36Å; T181-F268 HydrophobicContact CG2-CD1 4.07Å; T181-F268 HydrophobicContact CG2-CE1 3.48Å; T181-F268 VanDerWaalsContact CG2-CE1 3.48Å; T181-F268 HydrophobicContact CG2-CE2 4.19Å; T181-F268 HydrophobicContact CG2-CZ 3.55Å; F182-F268 AromaticContact CD1-CE1 3.79Å; F182-F268 HydrophobicContact CD1-CE1 3.79Å; F182-F268 HydrophobicContact CD1-CZ 4.09Å; F182-F268 HydrophobicContact CE1-CD1 4.32Å; F182-F268 AromaticContact CE1-CE1 3.42Å; F182-F268 HydrophobicContact CE1-CE1 3.42Å; F182-F268 VanDerWaalsContact CE1-CE1 3.42Å; F182-F268 AromaticContact CE1-CZ 3.84Å; F182-F268 HydrophobicContact CE1-CZ 3.84Å; F182-F268 HydrophobicContact CE2-CE1 4.48Å; F182-F268 HydrophobicContact CG-CE1 4.45Å; F182-F268 HydrophobicContact CZ-CD1 4.33Å; F182-F268 AromaticContact CZ-CE1 3.82Å; F182-F268 HydrophobicContact CZ-CE1 3.82Å; P246-F268 WeakPolarHBondContact CB-O 3.26Å; P246-F268 HydrophobicContact CG-CB 4.12Å; C252-F268 CarbonylContact C-O 3.53Å; C252-F268 WeakPolarHBondContact CA-O 3.26Å; V253-F268 PolarHBondContact N-O 3.34Å; V253-F268 PolarHBondContact O-N 2.86Å; L255-F268 HydrophobicContact CB-CD2 4.26Å; L255-F268 HydrophobicContact CB-CE2 3.83Å; L255-F268 HydrophobicContact CD2-CE2 3.77Å; L255-F268 HydrophobicContact CD2-CZ 4.34Å; L255-F268 HydrophobicContact CG-CE2 4.47Å; L266-F268 HydrophobicContact CB-CD2 4.48Å; L266-F268 HydrophobicContact CB-CE2 3.75Å; L266-F268 HydrophobicContact CB-CZ 4.21Å; L266-F268 HydrophobicContact CD1-CZ 4.41Å; L266-F268 WeakPolarHBondContact O-CD2 3.46Å |
| 269 | A | 93.2 | Very high | 84.5 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 5% | 0.05 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 145.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | F178 C252 L560 Y563 L567 | F178-A269 WeakPolarHBondContact CE1-O 3.47Å; F178-A269 WeakPolarHBondContact CZ-O 3.32Å; C252-A269 HydrophobicContact CB-CB 4.03Å; A269-L560 HydrophobicContact CB-CD1 3.81Å; A269-Y563 HydrophobicContact CB-CE2 4.46Å; A269-L567 HydrophobicContact CB-CD1 3.63Å |
| 270 | L | 92.8 | Very high | 85.7 | Confident | 17 Ų | 17 | 42.3 Ų | 42.3 | 9% | 0.089 | 25% | 0.246 | C | C | . | . | trans | -114.7 | 137.7 | -179.7 | -68.3 | 166.5 | 0 | 0 | 0 | 110.5 | Y176 F178 P246 P248 G249 L278 | Y176-L270 HydrophobicContact CD1-CD1 3.79Å; Y176-L270 HydrophobicContact CD1-CD2 4.34Å; Y176-L270 HydrophobicContact CE1-CD1 3.51Å; F178-L270 HydrophobicContact CE1-CD2 4.28Å; F178-L270 HydrophobicContact CE2-CD2 4.14Å; F178-L270 HydrophobicContact CE2-CG 4.47Å; F178-L270 HydrophobicContact CZ-CD2 3.64Å; F178-L270 HydrophobicContact CZ-CG 3.89Å; P246-L270 HydrophobicContact CG-CD1 4.2Å; P246-L270 HydrophobicContact CG-CG 4.14Å; P248-L270 WeakPolarHBondContact CA-O 3.4Å; P248-L270 HydrophobicContact CB-CB 3.97Å; P248-L270 HydrophobicContact CG-CB 3.91Å; P248-L270 HydrophobicContact CG-CD1 3.94Å; G249-L270 PolarHBondContact N-O 3.42Å; L270-L278 HydrophobicContact CD2-CD2 3.87Å | ||
| 271 | P | 92.1 | Very high | 87 | Confident | 15 Ų | 15 | 36.1 Ų | 36.1 | 10% | 0.097 | 22% | 0.216 | C | C | . | . | trans | -68.3 | 153.3 | 173.6 | 29.2 | -33.2 | 0 | 0 | 0 | 110.7 | R275 L278 D558 Y563 | P271-R275 HydrophobicContact CB-CB 3.8Å; P271-L278 HydrophobicContact CG-CB 3.9Å; P271-D558 HydrophobicContact CG-CB 4.38Å; P271-Y563 HydrophobicContact CB-CE1 4.23Å; P271-Y563 WeakPolarHBondContact CD-OH 3.39Å | ||
| 272 | D | 88.7 | Confident | 88.5 | Confident | 49 Ų | 49 | 31.6 Ų | 31.6 | 26% | 0.262 | 19% | 0.189 | S | C | . | . | trans | -81.8 | 173.9 | 176.5 | 72.8 | -72.3 | 0 | 0 | 0 | 112.5 | S274 R275 | D272-S274 PolarHBondContact O-N 3.37Å; D272-S274 WeakPolarHBondContact OD2-CA 3.39Å; D272-S274 WeakPolarHBondContact OD2-CB 3.23Å; D272-S274 PolarHBondContact OD2-N 3.05Å; D272-S274 PolarHBondContact OD2-OG 2.72Å; D272-R275 PolarHBondContact O-N 3.47Å; D272-R275 VanDerWaalsContact O-N 3.08Å; D272-R275 WeakPolarHBondContact OD1-CD 3.15Å; D272-R275 WeakPolarHBondContact OD1-CG 3.46Å; D272-R275 IonicContact OD1-NE 2.8Å; D272-R275 PolarHBondContact OD1-NE 2.79Å | ||
| 273 | Q | 85.9 | Confident | 90 | Very high | 104 Ų | 104 | 28.3 Ų | 28.3 | 49% | 0.486 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -16.5 | -178.6 | -72.3 | -176.2 | 3 | 0 | 0 | 114.5 | L539 E541 A542 | Q273-L539 WeakPolarHBondContact CB-O 3.23Å; Q273-L539 PolarHBondContact OE1-O 2.93Å; Q273-E541 PolarHBondContact O-N 2.96Å; Q273-A542 PolarHBondContact O-N 3.07Å |
| 274 | S | 86.2 | Confident | 91.1 | Very high | 9 Ų | 9 | 27.3 Ų | 27.3 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 0.8 | 179.9 | 85.4 | 0 | 0 | 0 | 0 | 114.3 | D272 R545 | D272-S274 PolarHBondContact O-N 3.37Å; D272-S274 WeakPolarHBondContact OD2-CA 3.39Å; D272-S274 WeakPolarHBondContact OD2-CB 3.23Å; D272-S274 PolarHBondContact OD2-N 3.05Å; D272-S274 PolarHBondContact OD2-OG 2.72Å; S274-R545 VanDerWaalsContact CB-NH1 3.3Å; S274-R545 WeakPolarHBondContact O-CD 3.42Å; S274-R545 PolarHBondContact O-NH1 3.39Å; S274-R545 PolarHBondContact OG-NH1 3.13Å; S274-R545 PolarHBondContact OG-NH2 2.89Å |
| 275 | R | 91.7 | Very high | 91.7 | Very high | 11 Ų | 11 | 24.2 Ų | 24.2 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -116.1 | 160.9 | 173.9 | -69.6 | 172 | -176.1 | -73.9 | -8.3 | 111.6 | P271 D272 A542 E554 G557 | P271-R275 HydrophobicContact CB-CB 3.8Å; D272-R275 PolarHBondContact O-N 3.47Å; D272-R275 VanDerWaalsContact O-N 3.08Å; D272-R275 WeakPolarHBondContact OD1-CD 3.15Å; D272-R275 WeakPolarHBondContact OD1-CG 3.46Å; D272-R275 IonicContact OD1-NE 2.8Å; D272-R275 PolarHBondContact OD1-NE 2.79Å; R275-A542 VanDerWaalsContact O-CB 3.23Å; R275-A542 WeakPolarHBondContact O-CB 3.48Å; R275-E554 VanDerWaalsContact CZ-O 3.26Å; R275-E554 PolarHBondContact NH1-O 3.07Å; R275-E554 PolarHBondContact NH2-O 2.95Å; R275-G557 WeakPolarHBondContact CD-O 3.5Å; R275-G557 PolarHBondContact NH1-O 3.05Å |
| 276 | L | 93.2 | Very high | 92 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -59.5 | 149.1 | 174.9 | -70.6 | 171.9 | 0 | 0 | 0 | 110.5 | L278 Y330 V467 R470 I474 I546 I556 D558 | L276-L278 PolarHBondContact O-N 3.23Å; L276-Y330 HydrophobicContact CD2-CD1 4.37Å; L276-Y330 HydrophobicContact CD2-CE1 3.63Å; L276-V467 HydrophobicContact CD1-CG1 4Å; L276-R470 HydrophobicContact CD1-CB 4.15Å; L276-I474 HydrophobicContact CD2-CD1 4.13Å; L276-I546 HydrophobicContact CD2-CD1 3.96Å; L276-I546 HydrophobicContact CG-CD1 4.48Å; L276-I556 WeakPolarHBondContact CB-O 3.35Å; L276-I556 WeakPolarHBondContact CG-O 3.41Å; L276-I556 PolarHBondContact N-O 3.36Å; L276-D558 HydrophobicContact CB-CB 4.32Å; L276-D558 VanDerWaalsContact O-CB 3.28Å; L276-D558 WeakPolarHBondContact O-CB 3.48Å |
| 277 | P | 91.5 | Very high | 92.1 | Very high | 70 Ų | 70 | 22.1 Ų | 22.1 | 46% | 0.455 | 12% | 0.122 | S | C | . | . | P | Polyproline II helix | trans | -55.9 | 140.1 | 173.2 | -24.4 | 34.1 | 0 | 0 | 0 | 111.3 | I279 Y330 R470 | P277-I279 PolarHBondContact O-N 2.99Å; P277-Y330 VanDerWaalsContact CD-CE2 3.49Å; P277-Y330 HydrophobicContact CG-CD2 4.1Å; P277-Y330 HydrophobicContact CG-CE2 3.7Å; P277-R470 PolarHBondContact O-NH1 3.39Å |
| 278 | L | 94.2 | Very high | 92.1 | Very high | 26 Ų | 26 | 26.8 Ų | 26.8 | 14% | 0.136 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 123.7 | -179.1 | 178.5 | 61.9 | 0 | 0 | 0 | 111.7 | P177 F178 L270 P271 L276 | P177-L278 HydrophobicContact CG-CD2 4.39Å; F178-L278 HydrophobicContact CD1-CD2 3.65Å; F178-L278 HydrophobicContact CE1-CD2 3.38Å; F178-L278 HydrophobicContact CZ-CD2 4.12Å; L270-L278 HydrophobicContact CD2-CD2 3.87Å; P271-L278 HydrophobicContact CG-CB 3.9Å; L276-L278 PolarHBondContact O-N 3.23Å |
| 279 | I | 93.2 | Very high | 92 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 6% | 0.056 | 15% | 0.152 | C | C | . | . | trans | -121.9 | 104.6 | 169.6 | -59.7 | 173.5 | 0 | 0 | 0 | 109.4 | P277 F281 V283 A327 D558 K559 | P277-I279 PolarHBondContact O-N 2.99Å; I279-F281 VanDerWaalsContact C-N 3.26Å; I279-F281 HydrophobicContact CG2-CD1 3.97Å; I279-F281 HydrophobicContact CG2-CD2 3.5Å; I279-F281 VanDerWaalsContact CG2-CD2 3.5Å; I279-F281 HydrophobicContact CG2-CE1 3.89Å; I279-F281 HydrophobicContact CG2-CE2 3.4Å; I279-F281 VanDerWaalsContact CG2-CE2 3.4Å; I279-F281 HydrophobicContact CG2-CG 3.78Å; I279-F281 HydrophobicContact CG2-CZ 3.61Å; I279-F281 VanDerWaalsContact CG2-O 3.29Å; I279-F281 WeakPolarHBondContact CG2-O 3.42Å; I279-F281 PolarHBondContact O-N 2.95Å; I279-V283 HydrophobicContact CB-CG2 4.34Å; I279-V283 HydrophobicContact CD1-CG2 3.72Å; I279-V283 HydrophobicContact CG2-CG2 3.74Å; I279-A327 HydrophobicContact CD1-CB 3.6Å; I279-A327 HydrophobicContact CG1-CB 4.49Å; I279-D558 PolarHBondContact N-OD2 3.05Å; I279-K559 WeakPolarHBondContact O-CE 3.28Å; I279-K559 PolarHBondContact O-NZ 3.08Å | ||
| 280 | D | 92.8 | Very high | 91.9 | Very high | 23 Ų | 23 | 29.1 Ų | 29.1 | 12% | 0.123 | 15% | 0.152 | C | C | . | . | trans | -92 | 45.3 | 175.7 | -166.9 | 17.4 | 0 | 0 | 0 | 111.5 | P177 F178 A179 T180 T181 | P177-D280 WeakPolarHBondContact O-CB 3.49Å; F178-D280 VanDerWaalsContact CA-OD2 3.28Å; F178-D280 WeakPolarHBondContact CA-OD2 3.47Å; A179-D280 PolarHBondContact N-OD2 3.15Å; T180-D280 WeakPolarHBondContact CB-OD1 3.48Å; T180-D280 WeakPolarHBondContact CG2-OD1 3.44Å; T180-D280 PolarHBondContact N-OD2 3.3Å; T180-D280 VanDerWaalsContact OG1-CG 3.23Å; T180-D280 PolarHBondContact OG1-OD1 3.02Å; T180-D280 PolarHBondContact OG1-OD2 2.83Å; T180-D280 VanDerWaalsContact OG1-OD2 3.08Å; T181-D280 PolarHBondContact N-OD2 2.76Å | ||
| 281 | F | 92.3 | Very high | 91.8 | Very high | 22 Ų | 22 | 29.9 Ų | 29.9 | 10% | 0.096 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -159.8 | 157.4 | 175.6 | 49.7 | -96.9 | 0 | 0 | 0 | 111.3 | I279 V283 L320 L323 S324 | I279-F281 VanDerWaalsContact C-N 3.26Å; I279-F281 HydrophobicContact CG2-CD1 3.97Å; I279-F281 HydrophobicContact CG2-CD2 3.5Å; I279-F281 VanDerWaalsContact CG2-CD2 3.5Å; I279-F281 HydrophobicContact CG2-CE1 3.89Å; I279-F281 HydrophobicContact CG2-CE2 3.4Å; I279-F281 VanDerWaalsContact CG2-CE2 3.4Å; I279-F281 HydrophobicContact CG2-CG 3.78Å; I279-F281 HydrophobicContact CG2-CZ 3.61Å; I279-F281 VanDerWaalsContact CG2-O 3.29Å; I279-F281 WeakPolarHBondContact CG2-O 3.42Å; I279-F281 PolarHBondContact O-N 2.95Å; F281-V283 PolarHBondContact O-N 2.84Å; F281-L320 HydrophobicContact CB-CD1 4.46Å; F281-L320 HydrophobicContact CB-CD2 3.76Å; F281-L320 HydrophobicContact CD1-CD2 4.4Å; F281-L320 HydrophobicContact CG-CD2 4.07Å; F281-L323 HydrophobicContact CE1-CB 4.18Å; F281-L323 HydrophobicContact CE1-CD1 4.44Å; F281-L323 HydrophobicContact CE2-CB 3.75Å; F281-L323 HydrophobicContact CZ-CB 3.52Å; F281-S324 WeakPolarHBondContact CD2-OG 3.2Å; F281-S324 WeakPolarHBondContact CE2-OG 3.43Å |
| 282 | P | 91.9 | Very high | 91.8 | Very high | 36 Ų | 36 | 30.6 Ų | 30.6 | 23% | 0.234 | 17% | 0.167 | C | C | . | . | trans | -67 | 114.8 | -177.4 | 23.7 | -34 | 0 | 0 | 0 | 113.4 | N284 L285 S324 D466 | P282-N284 VanDerWaalsContact C-N 3.33Å; P282-N284 WeakPolarHBondContact CB-OD1 3.41Å; P282-L285 HydrophobicContact CB-CB 4.14Å; P282-L285 HydrophobicContact CG-CB 4.03Å; P282-L285 HydrophobicContact CG-CD2 4.31Å; P282-L285 VanDerWaalsContact O-CB 3.28Å; P282-L285 WeakPolarHBondContact O-CB 3.31Å; P282-L285 PolarHBondContact O-N 2.7Å; P282-S324 PolarHBondContact O-OG 2.76Å; P282-D466 WeakPolarHBondContact CA-OD2 3.38Å | ||
| 283 | V | 92.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -29.2 | 174.2 | -177.7 | 0 | 0 | 0 | 0 | 111 | I279 F281 L285 P286 L328 D466 I469 R470 | I279-V283 HydrophobicContact CB-CG2 4.34Å; I279-V283 HydrophobicContact CD1-CG2 3.72Å; I279-V283 HydrophobicContact CG2-CG2 3.74Å; F281-V283 PolarHBondContact O-N 2.84Å; V283-L285 PolarHBondContact O-N 3.42Å; V283-P286 VanDerWaalsContact O-CD 3.24Å; V283-P286 WeakPolarHBondContact O-CD 3.41Å; V283-L328 HydrophobicContact CG1-CD1 4.41Å; V283-L328 HydrophobicContact CG1-CD2 3.63Å; V283-L328 HydrophobicContact CG1-CG 3.88Å; V283-D466 HydrophobicContact CB-CB 3.95Å; V283-D466 HydrophobicContact CG2-CB 4.13Å; V283-D466 VanDerWaalsContact N-CG 3.3Å; V283-D466 PolarHBondContact N-OD1 2.93Å; V283-D466 PolarHBondContact N-OD2 3.43Å; V283-I469 HydrophobicContact CG1-CG2 4.32Å; V283-R470 HydrophobicContact CG1-CG 4.39Å |
| 284 | N | 92.8 | Very high | 92 | Very high | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.043 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -18.8 | 174.4 | 87.6 | -48 | 0 | 0 | 0 | 114.2 | P282 P286 F287 E288 L418 K462 D466 I469 | P282-N284 VanDerWaalsContact C-N 3.33Å; P282-N284 WeakPolarHBondContact CB-OD1 3.41Å; N284-P286 VanDerWaalsContact C-CD 3.5Å; N284-F287 WeakPolarHBondContact O-CB 3.44Å; N284-F287 PolarHBondContact O-N 3.29Å; N284-E288 PolarHBondContact ND2-OE2 3.24Å; N284-E288 PolarHBondContact O-N 3.14Å; N284-E288 VanDerWaalsContact O-N 3.17Å; N284-L418 HydrophobicContact CB-CD2 4.05Å; N284-K462 VanDerWaalsContact CG-CE 3.46Å; N284-K462 WeakPolarHBondContact OD1-CE 3.49Å; N284-K462 PolarHBondContact OD1-NZ 2.56Å; N284-K462 VanDerWaalsContact OD1-NZ 3.17Å; N284-D466 WeakPolarHBondContact CB-OD1 3.4Å; N284-D466 PolarHBondContact N-OD1 3.04Å; N284-I469 HydrophobicContact CB-CD1 3.83Å |
| 285 | L | 93.2 | Very high | 92.4 | Very high | 22 Ų | 22 | 35.6 Ų | 35.6 | 12% | 0.115 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53.3 | -43.6 | -168.7 | -178.7 | 66.3 | 0 | 0 | 0 | 115.4 | P282 V283 F287 E288 I289 L320 | P282-L285 HydrophobicContact CB-CB 4.14Å; P282-L285 HydrophobicContact CG-CB 4.03Å; P282-L285 HydrophobicContact CG-CD2 4.31Å; P282-L285 VanDerWaalsContact O-CB 3.28Å; P282-L285 WeakPolarHBondContact O-CB 3.31Å; P282-L285 PolarHBondContact O-N 2.7Å; V283-L285 PolarHBondContact O-N 3.42Å; L285-F287 VanDerWaalsContact C-N 3.3Å; L285-F287 PolarHBondContact O-N 3.18Å; L285-E288 WeakPolarHBondContact O-CB 3.14Å; L285-E288 PolarHBondContact O-N 2.89Å; L285-E288 VanDerWaalsContact O-N 3.15Å; L285-I289 HydrophobicContact CD1-CD1 3.79Å; L285-I289 HydrophobicContact CD1-CG1 4.13Å; L285-I289 HydrophobicContact CD2-CD1 4.42Å; L285-I289 HydrophobicContact CG-CD1 3.74Å; L285-I289 HydrophobicContact CG-CG1 4.47Å; L285-I289 WeakPolarHBondContact O-CG1 3.34Å; L285-I289 PolarHBondContact O-N 3.02Å; L285-I289 VanDerWaalsContact O-N 3.07Å; L285-L320 HydrophobicContact CD2-CB 3.73Å |
| 286 | P | 94.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62 | -38.9 | 178.8 | -21.7 | 34.5 | 0 | 0 | 0 | 112.2 | V283 N284 E288 I289 M290 T295 T321 L325 | V283-P286 VanDerWaalsContact O-CD 3.24Å; V283-P286 WeakPolarHBondContact O-CD 3.41Å; N284-P286 VanDerWaalsContact C-CD 3.5Å; P286-E288 VanDerWaalsContact C-N 3.3Å; P286-E288 PolarHBondContact O-N 3.01Å; P286-I289 PolarHBondContact O-N 3.42Å; P286-M290 PolarHBondContact O-N 3.26Å; P286-T295 HydrophobicContact CB-CG2 3.68Å; P286-T295 PolarHBondContact O-OG1 2.97Å; P286-T321 HydrophobicContact CB-CG2 4.07Å; P286-T321 HydrophobicContact CG-CG2 4.04Å; P286-L325 HydrophobicContact CB-CD2 4.15Å; P286-L325 HydrophobicContact CB-CG 4.27Å; P286-L325 HydrophobicContact CG-CD2 4.35Å; P286-L325 HydrophobicContact CG-CG 4.12Å |
| 287 | F | 94.2 | Very high | 92.2 | Very high | 10 Ų | 10 | 38 Ų | 38 | 4% | 0.044 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.5 | -29.8 | 177.5 | -54.6 | -83.9 | 0 | 0 | 0 | 112.6 | N284 L285 G291 I292 T295 I299 L328 L414 L418 I469 | N284-F287 WeakPolarHBondContact O-CB 3.44Å; N284-F287 PolarHBondContact O-N 3.29Å; L285-F287 VanDerWaalsContact C-N 3.3Å; L285-F287 PolarHBondContact O-N 3.18Å; F287-G291 WeakPolarHBondContact O-CA 3.34Å; F287-G291 PolarHBondContact O-N 3.3Å; F287-G291 VanDerWaalsContact O-N 3.14Å; F287-I292 HydrophobicContact CD1-CG1 4.37Å; F287-T295 HydrophobicContact CD1-CG2 3.58Å; F287-T295 HydrophobicContact CD2-CG2 4.37Å; F287-T295 HydrophobicContact CE1-CG2 3.56Å; F287-T295 HydrophobicContact CE2-CG2 4.37Å; F287-T295 HydrophobicContact CG-CG2 4Å; F287-T295 HydrophobicContact CZ-CG2 3.98Å; F287-I299 HydrophobicContact CZ-CD1 4.16Å; F287-L328 HydrophobicContact CE2-CD1 3.61Å; F287-L328 HydrophobicContact CE2-CD2 4.12Å; F287-L328 HydrophobicContact CZ-CD1 3.93Å; F287-L328 HydrophobicContact CZ-CD2 4.35Å; F287-L414 HydrophobicContact CE1-CD1 3.8Å; F287-L414 HydrophobicContact CZ-CD1 4.21Å; F287-L414 HydrophobicContact CZ-CD2 4.42Å; F287-L418 HydrophobicContact CB-CD1 3.79Å; F287-L418 HydrophobicContact CG-CD1 4.27Å; F287-I469 HydrophobicContact CE2-CG2 3.96Å; F287-I469 HydrophobicContact CZ-CG2 4.42Å |
| 288 | E | 91.3 | Very high | 92.3 | Very high | 122 Ų | 122 | 34.8 Ų | 34.8 | 57% | 0.57 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -69.9 | -43.6 | 175.2 | -159 | 175.7 | 133.4 | 0 | 0 | 111.1 | N284 L285 P286 K462 | N284-E288 PolarHBondContact ND2-OE2 3.24Å; N284-E288 PolarHBondContact O-N 3.14Å; N284-E288 VanDerWaalsContact O-N 3.17Å; L285-E288 WeakPolarHBondContact O-CB 3.14Å; L285-E288 PolarHBondContact O-N 2.89Å; L285-E288 VanDerWaalsContact O-N 3.15Å; P286-E288 VanDerWaalsContact C-N 3.3Å; P286-E288 PolarHBondContact O-N 3.01Å; E288-K462 IonicContact OE2-NZ 2.77Å; E288-K462 PolarHBondContact OE2-NZ 3.16Å |
| 289 | I | 92.7 | Very high | 92.2 | Very high | 42 Ų | 42 | 33.6 Ų | 33.6 | 22% | 0.215 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -77.7 | -50.8 | -177.3 | -61.2 | 161.4 | 0 | 0 | 0 | 112.6 | L285 P286 K317 T321 L385 | L285-I289 HydrophobicContact CD1-CD1 3.79Å; L285-I289 HydrophobicContact CD1-CG1 4.13Å; L285-I289 HydrophobicContact CD2-CD1 4.42Å; L285-I289 HydrophobicContact CG-CD1 3.74Å; L285-I289 HydrophobicContact CG-CG1 4.47Å; L285-I289 WeakPolarHBondContact O-CG1 3.34Å; L285-I289 PolarHBondContact O-N 3.02Å; L285-I289 VanDerWaalsContact O-N 3.07Å; P286-I289 PolarHBondContact O-N 3.42Å; I289-K317 HydrophobicContact CD1-CD 3.84Å; I289-K317 HydrophobicContact CD1-CG 3.53Å; I289-K317 HydrophobicContact CG1-CD 4.29Å; I289-K317 HydrophobicContact CG1-CG 4.45Å; I289-T321 VanDerWaalsContact CD1-OG1 3.27Å; I289-T321 WeakPolarHBondContact CD1-OG1 3.33Å; I289-L385 HydrophobicContact CG2-CB 4.13Å; I289-L385 HydrophobicContact CG2-CD2 4.25Å; I289-L385 WeakPolarHBondContact CG2-O 3.07Å |
| 290 | M | 92.1 | Very high | 92.2 | Very high | 14 Ų | 14 | 33.3 Ų | 33.3 | 7% | 0.069 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -104.5 | -6.6 | -169.9 | -59.5 | -168.6 | 79.5 | 0 | 0 | 113.6 | P286 K294 L298 A383 L385 L390 | P286-M290 PolarHBondContact O-N 3.26Å; M290-K294 HydrophobicContact CB-CB 4.07Å; M290-K294 HydrophobicContact CE-CB 4.29Å; M290-K294 WeakPolarHBondContact O-CB 3.31Å; M290-L298 HydrophobicContact CE-CD1 4.18Å; M290-L298 HydrophobicContact SD-CD1 3.52Å; M290-L298 VanDerWaalsContact SD-CD1 3.52Å; M290-A383 HydrophobicContact CE-CB 3.82Å; M290-A383 HydrophobicContact SD-CB 4.27Å; M290-L385 HydrophobicContact CG-CD2 4.07Å; M290-L385 HydrophobicContact SD-CD2 3.76Å; M290-L390 HydrophobicContact CE-CB 4.29Å |
| 291 | G | 90.9 | Very high | 92.2 | Very high | 32 Ų | 32 | 32.2 Ų | 32.2 | 33% | 0.33 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | 71.1 | 163.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F287 R293 T295 | F287-G291 WeakPolarHBondContact O-CA 3.34Å; F287-G291 PolarHBondContact O-N 3.3Å; F287-G291 VanDerWaalsContact O-N 3.14Å; G291-R293 PolarHBondContact O-N 2.88Å; G291-T295 VanDerWaalsContact O-CB 3.32Å; G291-T295 WeakPolarHBondContact O-CB 3.32Å; G291-T295 PolarHBondContact O-N 3.06Å; G291-T295 VanDerWaalsContact O-N 3.13Å; G291-T295 PolarHBondContact O-OG1 3.16Å |
| 292 | I | 90.9 | Very high | 92.3 | Very high | 31 Ų | 31 | 31.3 Ų | 31.3 | 16% | 0.159 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.4 | -41 | -168.6 | -56.9 | 173.5 | 0 | 0 | 0 | 113 | F287 F296 I411 L414 R415 L418 | F287-I292 HydrophobicContact CD1-CG1 4.37Å; I292-F296 VanDerWaalsContact O-CB 3.3Å; I292-F296 WeakPolarHBondContact O-CB 3.33Å; I292-F296 PolarHBondContact O-N 3.1Å; I292-I411 HydrophobicContact CG2-CG1 4.35Å; I292-L414 HydrophobicContact CD1-CB 4.38Å; I292-L414 HydrophobicContact CG2-CD1 4.3Å; I292-R415 HydrophobicContact CD1-CG 3.65Å; I292-L418 HydrophobicContact CD1-CD1 4.04Å; I292-L418 HydrophobicContact CG1-CD1 4.03Å |
| 293 | R | 88.8 | Confident | 92.4 | Very high | 211 Ų | 211 | 29.8 Ų | 29.8 | 80% | 0.796 | 14% | 0.138 | S | C | * | . | H | α-helix | trans | -68.8 | -47.8 | -174.8 | -65 | -174.7 | 76.5 | -168.8 | 3.2 | 113.1 | G291 F296 R297 | G291-R293 PolarHBondContact O-N 2.88Å; R293-F296 PolarHBondContact O-N 3.38Å; R293-R297 PolarHBondContact O-N 2.82Å; R293-R297 VanDerWaalsContact O-N 3.11Å |
| 294 | K | 91.7 | Very high | 92.5 | Very high | 56 Ų | 56 | 30.2 Ų | 30.2 | 24% | 0.243 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69 | -42.4 | 179.8 | -66.8 | 175.7 | 173.2 | 168.9 | 0 | 110.9 | M290 F296 R297 L298 G388 E389 | M290-K294 HydrophobicContact CB-CB 4.07Å; M290-K294 HydrophobicContact CE-CB 4.29Å; M290-K294 WeakPolarHBondContact O-CB 3.31Å; K294-F296 VanDerWaalsContact C-N 3.35Å; K294-F296 PolarHBondContact O-N 3.48Å; K294-R297 PolarHBondContact O-N 3.22Å; K294-L298 PolarHBondContact O-N 3.21Å; K294-G388 WeakPolarHBondContact CD-O 3.45Å; K294-G388 WeakPolarHBondContact CE-O 3.3Å; K294-G388 PolarHBondContact NZ-O 2.77Å; K294-E389 WeakPolarHBondContact CE-OE2 3.42Å; K294-E389 IonicContact NZ-OE1 2.67Å; K294-E389 PolarHBondContact NZ-OE1 3.11Å; K294-E389 IonicContact NZ-OE2 2.75Å; K294-E389 PolarHBondContact NZ-OE2 2.77Å |
| 295 | T | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.9 | -47.8 | 173.6 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | P286 F287 G291 R297 L298 I299 L325 | P286-T295 HydrophobicContact CB-CG2 3.68Å; P286-T295 PolarHBondContact O-OG1 2.97Å; F287-T295 HydrophobicContact CD1-CG2 3.58Å; F287-T295 HydrophobicContact CD2-CG2 4.37Å; F287-T295 HydrophobicContact CE1-CG2 3.56Å; F287-T295 HydrophobicContact CE2-CG2 4.37Å; F287-T295 HydrophobicContact CG-CG2 4Å; F287-T295 HydrophobicContact CZ-CG2 3.98Å; G291-T295 VanDerWaalsContact O-CB 3.32Å; G291-T295 WeakPolarHBondContact O-CB 3.32Å; G291-T295 PolarHBondContact O-N 3.06Å; G291-T295 VanDerWaalsContact O-N 3.13Å; G291-T295 PolarHBondContact O-OG1 3.16Å; T295-R297 VanDerWaalsContact C-N 3.33Å; T295-R297 PolarHBondContact O-N 3.46Å; T295-L298 WeakPolarHBondContact O-CB 3.27Å; T295-L298 PolarHBondContact O-N 3.43Å; T295-L298 VanDerWaalsContact O-N 3.17Å; T295-I299 HydrophobicContact CG2-CD1 4.18Å; T295-I299 WeakPolarHBondContact O-CG1 3.29Å; T295-I299 PolarHBondContact O-N 3.35Å; T295-L325 HydrophobicContact CG2-CD2 4.28Å |
| 296 | F | 90.3 | Very high | 92.6 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.035 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.9 | -34.5 | -178.9 | -162.6 | -150.5 | 0 | 0 | 0 | 111.7 | I292 R293 K294 L298 I299 M300 L402 L410 I411 F476 | I292-F296 VanDerWaalsContact O-CB 3.3Å; I292-F296 WeakPolarHBondContact O-CB 3.33Å; I292-F296 PolarHBondContact O-N 3.1Å; R293-F296 PolarHBondContact O-N 3.38Å; K294-F296 VanDerWaalsContact C-N 3.35Å; K294-F296 PolarHBondContact O-N 3.48Å; F296-L298 VanDerWaalsContact C-N 3.35Å; F296-L298 PolarHBondContact O-N 3.01Å; F296-I299 HydrophobicContact CD2-CB 4.26Å; F296-I299 HydrophobicContact CD2-CD1 4.42Å; F296-I299 HydrophobicContact CD2-CG2 4.36Å; F296-I299 PolarHBondContact O-N 3.33Å; F296-M300 VanDerWaalsContact O-CG 3.32Å; F296-M300 WeakPolarHBondContact O-CG 3.27Å; F296-M300 PolarHBondContact O-N 2.96Å; F296-L402 HydrophobicContact CD1-CD1 3.76Å; F296-L402 HydrophobicContact CE1-CD1 3.31Å; F296-L402 HydrophobicContact CE1-CD2 4.08Å; F296-L402 HydrophobicContact CE1-CG 4.28Å; F296-L402 HydrophobicContact CE2-CD2 4.39Å; F296-L402 HydrophobicContact CZ-CD1 3.73Å; F296-L402 HydrophobicContact CZ-CD2 3.64Å; F296-L402 HydrophobicContact CZ-CG 4.32Å; F296-L410 HydrophobicContact CE1-CD2 4.27Å; F296-L410 HydrophobicContact CE2-CD2 3.67Å; F296-L410 HydrophobicContact CZ-CD2 3.51Å; F296-I411 HydrophobicContact CD1-CD1 4.42Å; F296-I411 HydrophobicContact CD1-CG1 4.46Å; F296-F476 HydrophobicContact CZ-CE2 4.4Å; F296-F476 HydrophobicContact CZ-CZ 4.36Å |
| 297 | R | 90.1 | Very high | 92.6 | Very high | 54 Ų | 54 | 33.6 Ų | 33.6 | 20% | 0.204 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.7 | -38.7 | 171.4 | -165.9 | 61.7 | 160.9 | -178.8 | -2.3 | 112.3 | R293 K294 T295 M300 C301 L390 I399 | R293-R297 PolarHBondContact O-N 2.82Å; R293-R297 VanDerWaalsContact O-N 3.11Å; K294-R297 PolarHBondContact O-N 3.22Å; T295-R297 VanDerWaalsContact C-N 3.33Å; T295-R297 PolarHBondContact O-N 3.46Å; R297-M300 WeakPolarHBondContact O-CB 3.33Å; R297-M300 PolarHBondContact O-N 2.66Å; R297-C301 PolarHBondContact O-N 3.01Å; R297-C301 PolarHBondContact O-SG 3.04Å; R297-L390 HydrophobicContact CB-CD2 4.06Å; R297-L390 HydrophobicContact CG-CD2 3.97Å; R297-I399 VanDerWaalsContact CZ-O 3.25Å; R297-I399 PolarHBondContact NH1-O 2.99Å; R297-I399 PolarHBondContact NH2-O 3.41Å |
| 298 | L | 93.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 171.7 | -77 | 177.3 | 0 | 0 | 0 | 112.6 | M290 K294 T295 F296 M300 C301 L302 V308 L310 L325 A383 L390 | M290-L298 HydrophobicContact CE-CD1 4.18Å; M290-L298 HydrophobicContact SD-CD1 3.52Å; M290-L298 VanDerWaalsContact SD-CD1 3.52Å; K294-L298 PolarHBondContact O-N 3.21Å; T295-L298 WeakPolarHBondContact O-CB 3.27Å; T295-L298 PolarHBondContact O-N 3.43Å; T295-L298 VanDerWaalsContact O-N 3.17Å; F296-L298 VanDerWaalsContact C-N 3.35Å; F296-L298 PolarHBondContact O-N 3.01Å; L298-M300 VanDerWaalsContact C-N 3.25Å; L298-M300 PolarHBondContact O-N 2.98Å; L298-C301 WeakPolarHBondContact O-CB 3.09Å; L298-C301 PolarHBondContact O-N 2.91Å; L298-L302 PolarHBondContact O-N 2.79Å; L298-V308 HydrophobicContact CD2-CG1 3.82Å; L298-L310 HydrophobicContact CD1-CD1 4.37Å; L298-L325 HydrophobicContact CB-CD2 4.4Å; L298-L325 HydrophobicContact CD1-CD1 4.23Å; L298-A383 HydrophobicContact CD1-CB 3.94Å; L298-A383 HydrophobicContact CD2-CB 4.18Å; L298-L390 HydrophobicContact CD2-CD1 3.73Å; L298-L390 HydrophobicContact CG-CD1 4.2Å |
| 299 | I | 93.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.7 | -39.2 | 174.1 | -66.9 | 168.9 | 0 | 0 | 0 | 110.5 | F287 T295 F296 L302 L303 L325 L328 L329 M473 | F287-I299 HydrophobicContact CZ-CD1 4.16Å; T295-I299 HydrophobicContact CG2-CD1 4.18Å; T295-I299 WeakPolarHBondContact O-CG1 3.29Å; T295-I299 PolarHBondContact O-N 3.35Å; F296-I299 HydrophobicContact CD2-CB 4.26Å; F296-I299 HydrophobicContact CD2-CD1 4.42Å; F296-I299 HydrophobicContact CD2-CG2 4.36Å; F296-I299 PolarHBondContact O-N 3.33Å; I299-L302 PolarHBondContact O-N 2.78Å; I299-L303 HydrophobicContact CG2-CD1 3.84Å; I299-L303 HydrophobicContact CG2-CG 4.29Å; I299-L303 WeakPolarHBondContact O-CB 3.49Å; I299-L303 VanDerWaalsContact O-CG 3.26Å; I299-L303 WeakPolarHBondContact O-CG 3.26Å; I299-L303 PolarHBondContact O-N 3.09Å; I299-L325 HydrophobicContact CG1-CD2 3.83Å; I299-L328 HydrophobicContact CD1-CB 4.31Å; I299-L328 HydrophobicContact CD1-CD1 4.04Å; I299-L329 HydrophobicContact CG2-CD2 4.2Å; I299-M473 HydrophobicContact CG2-CE 3.85Å |
| 300 | M | 92.2 | Very high | 93.1 | Very high | 5 Ų | 5 | 25.3 Ų | 25.3 | 3% | 0.025 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 171.8 | -60.1 | 174.3 | 79.1 | 0 | 0 | 113.1 | F296 R297 L298 L302 L303 L304 I399 P400 L402 F518 | F296-M300 VanDerWaalsContact O-CG 3.32Å; F296-M300 WeakPolarHBondContact O-CG 3.27Å; F296-M300 PolarHBondContact O-N 2.96Å; R297-M300 WeakPolarHBondContact O-CB 3.33Å; R297-M300 PolarHBondContact O-N 2.66Å; L298-M300 VanDerWaalsContact C-N 3.25Å; L298-M300 PolarHBondContact O-N 2.98Å; M300-L302 VanDerWaalsContact C-N 3.29Å; M300-L302 PolarHBondContact O-N 2.97Å; M300-L303 PolarHBondContact O-N 3.19Å; M300-L304 WeakPolarHBondContact O-CB 3.48Å; M300-L304 WeakPolarHBondContact O-CG 3.4Å; M300-L304 PolarHBondContact O-N 2.98Å; M300-I399 HydrophobicContact CB-CG2 4.18Å; M300-I399 HydrophobicContact CE-CG2 3.91Å; M300-I399 HydrophobicContact SD-CG2 4.5Å; M300-P400 WeakPolarHBondContact CE-O 3.22Å; M300-L402 HydrophobicContact CE-CD1 3.7Å; M300-L402 HydrophobicContact CE-CD2 4.49Å; M300-L402 HydrophobicContact CE-CG 3.6Å; M300-L402 HydrophobicContact CG-CD1 3.93Å; M300-L402 HydrophobicContact CG-CG 4.31Å; M300-L402 HydrophobicContact SD-CD1 3.34Å; M300-L402 WeakPolarHBondContact SD-CD1 3.42Å; M300-L402 HydrophobicContact SD-CG 3.95Å; M300-F518 HydrophobicContact CB-CE2 4.33Å; M300-F518 HydrophobicContact CE-CD2 3.65Å; M300-F518 HydrophobicContact CE-CE2 3.87Å; M300-F518 HydrophobicContact CG-CE2 4.23Å |
| 301 | C | 92.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 176.7 | -60.9 | 0 | 0 | 0 | 0 | 110.6 | R297 L298 L304 E305 Q306 V308 I399 | R297-C301 PolarHBondContact O-N 3.01Å; R297-C301 PolarHBondContact O-SG 3.04Å; L298-C301 WeakPolarHBondContact O-CB 3.09Å; L298-C301 PolarHBondContact O-N 2.91Å; C301-L304 CarbonylContact O-C 3.59Å; C301-L304 PolarHBondContact O-N 3.3Å; C301-E305 PolarHBondContact O-N 3.28Å; C301-Q306 HydrophobicContact CB-CB 4.1Å; C301-Q306 HydrophobicContact CB-CG 4.4Å; C301-Q306 VanDerWaalsContact O-CB 3.25Å; C301-Q306 WeakPolarHBondContact O-CB 3.15Å; C301-Q306 WeakPolarHBondContact O-CG 3.47Å; C301-Q306 PolarHBondContact O-N 3.01Å; C301-V308 HydrophobicContact CB-CG2 3.64Å; C301-I399 HydrophobicContact CB-CD1 4.26Å; C301-I399 WeakPolarHBondContact SG-CD1 3.34Å |
| 302 | L | 95.2 | Very high | 93.5 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.7 | -41.2 | 177.4 | -61 | 176 | 0 | 0 | 0 | 112.3 | L298 I299 M300 L304 E305 V308 L325 L329 Y334 L360 | L298-L302 PolarHBondContact O-N 2.79Å; I299-L302 PolarHBondContact O-N 2.78Å; M300-L302 VanDerWaalsContact C-N 3.29Å; M300-L302 PolarHBondContact O-N 2.97Å; L302-L304 VanDerWaalsContact C-N 3.28Å; L302-L304 PolarHBondContact O-N 2.88Å; L302-E305 PolarHBondContact O-N 2.63Å; L302-E305 VanDerWaalsContact O-N 3.16Å; L302-V308 HydrophobicContact CD2-CB 4.23Å; L302-V308 HydrophobicContact CD2-CG2 3.92Å; L302-L325 HydrophobicContact CD1-CB 3.96Å; L302-L329 HydrophobicContact CB-CD1 4.15Å; L302-L329 HydrophobicContact CB-CD2 4.14Å; L302-Y334 HydrophobicContact CB-CE2 4.26Å; L302-Y334 HydrophobicContact CD2-CE2 3.95Å; L302-L360 HydrophobicContact CD1-CD2 3.9Å; L302-L360 HydrophobicContact CD2-CB 3.97Å; L302-L360 HydrophobicContact CD2-CD1 4.21Å; L302-L360 HydrophobicContact CD2-CD2 3.92Å; L302-L360 HydrophobicContact CD2-CG 4.25Å |
| 303 | L | 94.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.6 | -22.9 | 176.5 | -76.1 | 175.5 | 0 | 0 | 0 | 114.2 | I299 M300 L329 L332 F477 F518 L522 T525 | I299-L303 HydrophobicContact CG2-CD1 3.84Å; I299-L303 HydrophobicContact CG2-CG 4.29Å; I299-L303 WeakPolarHBondContact O-CB 3.49Å; I299-L303 VanDerWaalsContact O-CG 3.26Å; I299-L303 WeakPolarHBondContact O-CG 3.26Å; I299-L303 PolarHBondContact O-N 3.09Å; M300-L303 PolarHBondContact O-N 3.19Å; L303-L329 HydrophobicContact CD2-CD2 3.8Å; L303-L329 HydrophobicContact CG-CD2 3.81Å; L303-L332 HydrophobicContact CD2-CD1 3.59Å; L303-F477 HydrophobicContact CD1-CE1 3.81Å; L303-F477 HydrophobicContact CD1-CZ 4Å; L303-F477 HydrophobicContact CD2-CE1 3.73Å; L303-F477 HydrophobicContact CD2-CZ 3.8Å; L303-F477 HydrophobicContact CG-CE1 4.46Å; L303-F518 HydrophobicContact CD1-CZ 4.26Å; L303-L522 HydrophobicContact CB-CD1 4.27Å; L303-L522 HydrophobicContact CD2-CD1 4.26Å; L303-L522 WeakPolarHBondContact O-CD1 3.12Å; L303-T525 WeakPolarHBondContact O-CG2 3.28Å |
| 304 | L | 93.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 19.5 Ų | 19.5 | 5% | 0.047 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 21.5 | 173.2 | -59.2 | -172.3 | 0 | 0 | 0 | 112.3 | M300 C301 L302 Q306 I399 P400 F518 M521 L522 | M300-L304 WeakPolarHBondContact O-CB 3.48Å; M300-L304 WeakPolarHBondContact O-CG 3.4Å; M300-L304 PolarHBondContact O-N 2.98Å; C301-L304 CarbonylContact O-C 3.59Å; C301-L304 PolarHBondContact O-N 3.3Å; L302-L304 VanDerWaalsContact C-N 3.28Å; L302-L304 PolarHBondContact O-N 2.88Å; L304-Q306 VanDerWaalsContact C-N 3.32Å; L304-Q306 HydrophobicContact CB-CG 4.38Å; L304-Q306 PolarHBondContact O-N 3.05Å; L304-Q306 PolarHBondContact O-NE2 2.89Å; L304-I399 HydrophobicContact CD1-CG2 4.01Å; L304-P400 HydrophobicContact CD1-CG 3.96Å; L304-F518 HydrophobicContact CD1-CD2 3.99Å; L304-F518 HydrophobicContact CD1-CE2 4.23Å; L304-F518 HydrophobicContact CD2-CD2 4.06Å; L304-F518 HydrophobicContact CD2-CE2 3.93Å; L304-F518 HydrophobicContact CG-CD2 4.21Å; L304-F518 HydrophobicContact CG-CE2 3.99Å; L304-M521 HydrophobicContact CD1-CE 4.21Å; L304-M521 HydrophobicContact CD1-SD 4.47Å; L304-M521 HydrophobicContact CD2-CB 3.79Å; L304-L522 HydrophobicContact CD2-CB 4.08Å |
| 305 | E | 94.8 | Very high | 93.9 | Very high | 37 Ų | 37 | 18.1 Ų | 18.1 | 17% | 0.173 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 47.1 | 170.4 | -54.6 | -174.2 | 147.8 | 0 | 0 | 112.5 | C301 L302 F336 P358 T525 Q526 A527 | C301-E305 PolarHBondContact O-N 3.28Å; L302-E305 PolarHBondContact O-N 2.63Å; L302-E305 VanDerWaalsContact O-N 3.16Å; E305-F336 HydrophobicContact CB-CE2 3.96Å; E305-F336 HydrophobicContact CB-CZ 4.39Å; E305-F336 VanDerWaalsContact CD-CE2 3.42Å; E305-F336 HydrophobicContact CG-CE2 3.7Å; E305-F336 HydrophobicContact CG-CZ 4.34Å; E305-F336 VanDerWaalsContact OE1-CE2 3.31Å; E305-F336 WeakPolarHBondContact OE1-CE2 3.21Å; E305-P358 HydrophobicContact CB-CB 4.36Å; E305-P358 HydrophobicContact CB-CG 3.97Å; E305-P358 VanDerWaalsContact O-CB 3.3Å; E305-P358 WeakPolarHBondContact O-CB 3.44Å; E305-P358 WeakPolarHBondContact O-CG 3.27Å; E305-T525 HydrophobicContact CG-CG2 3.82Å; E305-T525 WeakPolarHBondContact OE1-CB 3.39Å; E305-T525 WeakPolarHBondContact OE2-CA 3.27Å; E305-T525 WeakPolarHBondContact OE2-CB 3.34Å; E305-Q526 VanDerWaalsContact CD-N 3.32Å; E305-Q526 WeakPolarHBondContact OE1-CA 2.96Å; E305-Q526 WeakPolarHBondContact OE1-CB 3.37Å; E305-Q526 PolarHBondContact OE1-N 2.78Å; E305-Q526 PolarHBondContact OE2-N 2.79Å; E305-Q526 VanDerWaalsContact OE2-N 3.09Å; E305-A527 PolarHBondContact OE1-N 2.92Å |
| 306 | Q | 92.8 | Very high | 93.9 | Very high | 37 Ų | 37 | 20.7 Ų | 20.7 | 17% | 0.173 | 11% | 0.106 | C | C | . | . | trans | -90.4 | 165 | 177.2 | -57.4 | -62.5 | -66.4 | 0 | 0 | 112.2 | C301 L304 I399 | C301-Q306 HydrophobicContact CB-CB 4.1Å; C301-Q306 HydrophobicContact CB-CG 4.4Å; C301-Q306 VanDerWaalsContact O-CB 3.25Å; C301-Q306 WeakPolarHBondContact O-CB 3.15Å; C301-Q306 WeakPolarHBondContact O-CG 3.47Å; C301-Q306 PolarHBondContact O-N 3.01Å; L304-Q306 VanDerWaalsContact C-N 3.32Å; L304-Q306 HydrophobicContact CB-CG 4.38Å; L304-Q306 PolarHBondContact O-N 3.05Å; L304-Q306 PolarHBondContact O-NE2 2.89Å; Q306-I399 HydrophobicContact CG-CD1 4.08Å | ||
| 307 | K | 94.5 | Very high | 94.1 | Very high | 28 Ų | 28 | 22.5 Ų | 22.5 | 12% | 0.122 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 121.2 | 170.8 | -63.3 | 177.2 | -174.3 | 180 | 0 | 110 | A355 T357 Y359 D379 V380 W381 | K307-A355 WeakPolarHBondContact CE-O 3.47Å; K307-A355 PolarHBondContact NZ-O 3.13Å; K307-T357 WeakPolarHBondContact CE-O 3.42Å; K307-Y359 HydrophobicContact CB-CD1 4.47Å; K307-Y359 HydrophobicContact CB-CE1 4Å; K307-Y359 HydrophobicContact CB-CE2 4.1Å; K307-Y359 HydrophobicContact CD-CD1 4.45Å; K307-Y359 HydrophobicContact CD-CE1 3.68Å; K307-Y359 HydrophobicContact CG-CD1 4.04Å; K307-Y359 HydrophobicContact CG-CE1 3.67Å; K307-D379 WeakPolarHBondContact CD-OD2 3.2Å; K307-D379 WeakPolarHBondContact CE-OD2 3.4Å; K307-D379 IonicContact NZ-OD2 1.83Å; K307-D379 PolarHBondContact NZ-OD2 2.66Å; K307-V380 HydrophobicContact CB-CG1 4.43Å; K307-V380 HydrophobicContact CB-CG2 4.1Å; K307-V380 HydrophobicContact CD-CG2 4.19Å; K307-W381 PolarHBondContact O-N 3.26Å |
| 308 | V | 95.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.7 | -175.4 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | L298 C301 L302 L310 Y359 L360 I361 W381 | L298-V308 HydrophobicContact CD2-CG1 3.82Å; C301-V308 HydrophobicContact CB-CG2 3.64Å; L302-V308 HydrophobicContact CD2-CB 4.23Å; L302-V308 HydrophobicContact CD2-CG2 3.92Å; V308-L310 HydrophobicContact CG1-CD1 3.58Å; V308-Y359 PolarHBondContact N-O 3.47Å; V308-L360 HydrophobicContact CB-CD1 3.96Å; V308-L360 HydrophobicContact CG1-CD1 3.75Å; V308-L360 WeakPolarHBondContact O-CA 3.45Å; V308-I361 PolarHBondContact O-N 2.97Å; V308-W381 HydrophobicContact CG2-CB 4.44Å |
| 309 | V | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 131.5 | 170.6 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | L353 Y359 I361 V363 M376 V380 W381 L382 A383 | V309-L353 HydrophobicContact CG2-CD2 3.88Å; V309-Y359 HydrophobicContact CG2-CE2 3.87Å; V309-I361 CarbonylContact C-O 3.57Å; V309-I361 VanDerWaalsContact CA-O 3.23Å; V309-I361 WeakPolarHBondContact CA-O 3.26Å; V309-V363 HydrophobicContact CG1-CG1 4.3Å; V309-V363 HydrophobicContact CG1-CG2 3.77Å; V309-M376 HydrophobicContact CB-CE 3.91Å; V309-M376 HydrophobicContact CG1-CE 3.86Å; V309-M376 HydrophobicContact CG2-CE 3.74Å; V309-M376 HydrophobicContact CG2-SD 4.23Å; V309-V380 HydrophobicContact CB-CG1 4.22Å; V309-V380 HydrophobicContact CG2-CG1 3.63Å; V309-W381 PolarHBondContact N-O 3.22Å; V309-L382 HydrophobicContact CB-CD1 4.08Å; V309-L382 HydrophobicContact CG1-CD1 3.8Å; V309-L382 WeakPolarHBondContact O-CA 3.41Å; V309-A383 PolarHBondContact O-N 2.83Å |
| 310 | L | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 142.2 | 167.8 | -85.7 | 59 | 0 | 0 | 0 | 108.7 | L298 V308 L318 T321 I322 L325 L360 I361 G362 V363 A383 L385 | L298-L310 HydrophobicContact CD1-CD1 4.37Å; V308-L310 HydrophobicContact CG1-CD1 3.58Å; L310-L318 HydrophobicContact CB-CD1 3.66Å; L310-T321 HydrophobicContact CD2-CG2 3.74Å; L310-I322 HydrophobicContact CB-CD1 4.27Å; L310-I322 HydrophobicContact CB-CG1 4.37Å; L310-I322 HydrophobicContact CD2-CG1 3.78Å; L310-L325 HydrophobicContact CD2-CD1 3.76Å; L310-L360 HydrophobicContact CD1-CD1 4.01Å; L310-I361 PolarHBondContact N-O 3.43Å; L310-G362 CarbonylContact O-C 3.57Å; L310-G362 WeakPolarHBondContact O-CA 3.44Å; L310-V363 PolarHBondContact O-N 3.3Å; L310-A383 CarbonylContact C-O 3.57Å; L310-A383 WeakPolarHBondContact CA-O 3.16Å; L310-A383 HydrophobicContact CD1-CB 3.98Å; L310-A383 HydrophobicContact CG-CB 4.02Å; L310-L385 HydrophobicContact CB-CD1 4.44Å; L310-L385 HydrophobicContact CD2-CD1 4.23Å; L310-L385 HydrophobicContact CD2-CD2 4.14Å; L310-L385 HydrophobicContact CG-CD2 4.3Å |
| 311 | Q | 95.7 | Very high | 95 | Very high | 23 Ų | 23 | 20.5 Ų | 20.5 | 11% | 0.107 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 145.1 | 173.4 | 72.7 | -179.4 | 29.2 | 0 | 0 | 112.9 | V363 L382 A383 D384 L385 | Q311-V363 VanDerWaalsContact CA-O 3.3Å; Q311-V363 WeakPolarHBondContact CA-O 3.41Å; Q311-V363 HydrophobicContact CB-CG2 3.93Å; Q311-L382 HydrophobicContact CB-CD1 4.26Å; Q311-L382 HydrophobicContact CG-CD1 4.1Å; Q311-A383 PolarHBondContact N-O 2.68Å; Q311-D384 HydrophobicContact CG-CB 3.93Å; Q311-D384 PolarHBondContact NE2-OD2 3.43Å; Q311-L385 WeakPolarHBondContact O-CB 3.28Å; Q311-L385 PolarHBondContact O-N 2.97Å |
| 312 | S | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 156.2 | 171.8 | -169.1 | 0 | 0 | 0 | 0 | 112 | D314 K317 V363 P364 T365 D386 | S312-D314 VanDerWaalsContact C-N 3.35Å; S312-D314 PolarHBondContact OG-N 3.1Å; S312-K317 WeakPolarHBondContact OG-CE 3.42Å; S312-K317 PolarHBondContact OG-NZ 3.16Å; S312-V363 PolarHBondContact N-O 2.95Å; S312-P364 WeakPolarHBondContact O-CA 3.39Å; S312-T365 WeakPolarHBondContact CA-OG1 3.38Å; S312-T365 PolarHBondContact N-OG1 2.89Å; S312-T365 PolarHBondContact O-N 3.35Å; S312-T365 PolarHBondContact O-OG1 3.34Å; S312-D386 WeakPolarHBondContact CB-OD1 3.2Å; S312-D386 PolarHBondContact OG-OD1 3.31Å |
| 313 | S | 92 | Very high | 95.2 | Very high | 82 Ų | 82 | 21.4 Ų | 21.4 | 57% | 0.573 | 11% | 0.112 | S | C | * | . | S | Bend | trans | -79.5 | -13.8 | 164.8 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | T365 D386 | S313-T365 PolarHBondContact N-OG1 3.06Å; S313-T365 VanDerWaalsContact N-OG1 3.17Å; S313-D386 WeakPolarHBondContact CB-OD2 3.14Å; S313-D386 PolarHBondContact N-OD2 2.71Å; S313-D386 PolarHBondContact OG-OD2 3.26Å |
| 314 | D | 94.1 | Very high | 95.4 | Very high | 61 Ų | 61 | 21.2 Ų | 21.2 | 33% | 0.326 | 11% | 0.111 | S | C | . | . | trans | -106.1 | 105.5 | 173.2 | 179 | -10.6 | 0 | 0 | 0 | 110.5 | M81 S312 N316 K317 L318 | M81-D314 WeakPolarHBondContact CE-OD1 3.2Å; S312-D314 VanDerWaalsContact C-N 3.35Å; S312-D314 PolarHBondContact OG-N 3.1Å; D314-N316 PolarHBondContact O-N 3.42Å; D314-N316 WeakPolarHBondContact OD1-CA 3.1Å; D314-N316 WeakPolarHBondContact OD1-CB 3.25Å; D314-N316 PolarHBondContact OD1-N 2.81Å; D314-K317 HydrophobicContact CB-CB 3.81Å; D314-K317 PolarHBondContact O-N 2.9Å; D314-K317 PolarHBondContact OD1-N 3.32Å; D314-L318 VanDerWaalsContact O-CB 3.3Å; D314-L318 WeakPolarHBondContact O-CB 3.17Å; D314-L318 PolarHBondContact O-N 2.97Å | ||
| 315 | Y | 94.3 | Very high | 95.5 | Very high | 26 Ų | 26 | 20.8 Ų | 20.8 | 10% | 0.102 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.7 | -28.8 | 179.5 | -43.5 | -34.3 | 0 | 0 | 0 | 113.4 | P55 E56 M81 F83 S319 L341 P364 | P55-Y315 HydrophobicContact CG-CD1 4.43Å; P55-Y315 HydrophobicContact CG-CD2 3.75Å; P55-Y315 HydrophobicContact CG-CE1 4.16Å; P55-Y315 HydrophobicContact CG-CE2 3.41Å; P55-Y315 VanDerWaalsContact CG-CE2 3.41Å; P55-Y315 HydrophobicContact CG-CG 4.27Å; E56-Y315 WeakPolarHBondContact CG-OH 3.3Å; E56-Y315 PolarHBondContact OE1-OH 3.5Å; M81-Y315 HydrophobicContact CE-CD2 3.82Å; M81-Y315 HydrophobicContact CE-CG 3.98Å; M81-Y315 HydrophobicContact SD-CD2 4.08Å; M81-Y315 HydrophobicContact SD-CE2 4.35Å; F83-Y315 HydrophobicContact CD1-CD2 4.2Å; F83-Y315 HydrophobicContact CE1-CD2 4.21Å; F83-Y315 HydrophobicContact CG-CD2 4.39Å; F83-Y315 HydrophobicContact CZ-CD2 4.4Å; Y315-S319 VanDerWaalsContact O-CB 3.29Å; Y315-S319 WeakPolarHBondContact O-CB 3.31Å; Y315-S319 PolarHBondContact O-N 3.47Å; Y315-S319 VanDerWaalsContact O-N 3.07Å; Y315-S319 PolarHBondContact O-OG 3.07Å; Y315-L341 HydrophobicContact CD1-CD1 4.02Å; Y315-L341 HydrophobicContact CG-CD1 4.14Å; Y315-L341 HydrophobicContact CG-CD2 4.39Å; Y315-P364 HydrophobicContact CD1-CG 4.39Å; Y315-P364 HydrophobicContact CE1-CB 4.04Å; Y315-P364 HydrophobicContact CE1-CG 4.07Å |
| 316 | N | 93.9 | Very high | 95.6 | Very high | 54 Ų | 54 | 20.9 Ų | 20.9 | 29% | 0.289 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -75.9 | -49.5 | 178.1 | -169.1 | 49.3 | 0 | 0 | 0 | 110 | F83 D314 L318 S319 L320 | F83-N316 HydrophobicContact CB-CB 3.82Å; D314-N316 PolarHBondContact O-N 3.42Å; D314-N316 WeakPolarHBondContact OD1-CA 3.1Å; D314-N316 WeakPolarHBondContact OD1-CB 3.25Å; D314-N316 PolarHBondContact OD1-N 2.81Å; N316-L318 VanDerWaalsContact C-N 3.28Å; N316-L318 PolarHBondContact O-N 3.13Å; N316-S319 PolarHBondContact O-N 3.49Å; N316-L320 WeakPolarHBondContact O-CB 3.21Å; N316-L320 VanDerWaalsContact O-CG 3.28Å; N316-L320 WeakPolarHBondContact O-CG 3.26Å; N316-L320 PolarHBondContact O-N 2.67Å |
| 317 | K | 94.8 | Very high | 95.7 | Very high | 46 Ų | 46 | 20.2 Ų | 20.2 | 20% | 0.2 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -54.1 | -46.2 | 173 | -174.6 | -178.9 | 63.3 | 174.6 | 0 | 111.3 | I289 S312 D314 T321 L385 D386 | I289-K317 HydrophobicContact CD1-CD 3.84Å; I289-K317 HydrophobicContact CD1-CG 3.53Å; I289-K317 HydrophobicContact CG1-CD 4.29Å; I289-K317 HydrophobicContact CG1-CG 4.45Å; S312-K317 WeakPolarHBondContact OG-CE 3.42Å; S312-K317 PolarHBondContact OG-NZ 3.16Å; D314-K317 HydrophobicContact CB-CB 3.81Å; D314-K317 PolarHBondContact O-N 2.9Å; D314-K317 PolarHBondContact OD1-N 3.32Å; K317-T321 VanDerWaalsContact O-CB 3.26Å; K317-T321 WeakPolarHBondContact O-CB 3.41Å; K317-T321 PolarHBondContact O-N 3.16Å; K317-T321 PolarHBondContact O-OG1 3.34Å; K317-L385 PolarHBondContact NZ-O 2.75Å; K317-D386 IonicContact NZ-OD1 3.18Å; K317-D386 PolarHBondContact NZ-OD1 3.04Å |
| 318 | L | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.6 | -56.4 | 177.5 | -178.9 | 58.9 | 0 | 0 | 0 | 112.5 | L310 D314 N316 T321 I322 L341 V363 L385 | L310-L318 HydrophobicContact CB-CD1 3.66Å; D314-L318 VanDerWaalsContact O-CB 3.3Å; D314-L318 WeakPolarHBondContact O-CB 3.17Å; D314-L318 PolarHBondContact O-N 2.97Å; N316-L318 VanDerWaalsContact C-N 3.28Å; N316-L318 PolarHBondContact O-N 3.13Å; L318-T321 PolarHBondContact O-N 3.32Å; L318-I322 HydrophobicContact CD1-CD1 4.19Å; L318-I322 HydrophobicContact CG-CD1 4.47Å; L318-I322 PolarHBondContact O-N 2.85Å; L318-I322 VanDerWaalsContact O-N 3.08Å; L318-L341 HydrophobicContact CD2-CD1 4.06Å; L318-V363 WeakPolarHBondContact CD2-O 3.46Å; L318-L385 HydrophobicContact CB-CD1 4.48Å; L318-L385 HydrophobicContact CD1-CD1 3.88Å |
| 319 | S | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.4 | -40.4 | -172.4 | -56.1 | 0 | 0 | 0 | 0 | 112 | L84 Y315 N316 I322 L323 P340 | L84-S319 WeakPolarHBondContact O-CB 3.3Å; L84-S319 PolarHBondContact O-OG 3.26Å; Y315-S319 VanDerWaalsContact O-CB 3.29Å; Y315-S319 WeakPolarHBondContact O-CB 3.31Å; Y315-S319 PolarHBondContact O-N 3.47Å; Y315-S319 VanDerWaalsContact O-N 3.07Å; Y315-S319 PolarHBondContact O-OG 3.07Å; N316-S319 PolarHBondContact O-N 3.49Å; S319-I322 PolarHBondContact O-N 2.86Å; S319-L323 WeakPolarHBondContact O-CG 3.42Å; S319-L323 PolarHBondContact O-N 3.11Å; S319-L323 VanDerWaalsContact O-N 3.07Å; S319-P340 PolarHBondContact OG-O 3.4Å |
| 320 | L | 95.8 | Very high | 95.6 | Very high | 20 Ų | 20 | 20.5 Ų | 20.5 | 11% | 0.105 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.3 | -37.8 | 175.2 | -62.8 | -175.6 | 0 | 0 | 0 | 111.8 | L84 F281 L285 N316 I322 L323 S324 | L84-L320 HydrophobicContact CD2-CD2 3.94Å; F281-L320 HydrophobicContact CB-CD1 4.46Å; F281-L320 HydrophobicContact CB-CD2 3.76Å; F281-L320 HydrophobicContact CD1-CD2 4.4Å; F281-L320 HydrophobicContact CG-CD2 4.07Å; L285-L320 HydrophobicContact CD2-CB 3.73Å; N316-L320 WeakPolarHBondContact O-CB 3.21Å; N316-L320 VanDerWaalsContact O-CG 3.28Å; N316-L320 WeakPolarHBondContact O-CG 3.26Å; N316-L320 PolarHBondContact O-N 2.67Å; L320-I322 VanDerWaalsContact C-N 3.34Å; L320-I322 PolarHBondContact O-N 2.91Å; L320-L323 PolarHBondContact O-N 3.42Å; L320-S324 WeakPolarHBondContact O-CB 3.39Å; L320-S324 PolarHBondContact O-N 3.26Å; L320-S324 PolarHBondContact O-OG 3.06Å |
| 321 | T | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.6 | -42.3 | 175.4 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | P286 I289 L310 K317 L318 L325 L385 | P286-T321 HydrophobicContact CB-CG2 4.07Å; P286-T321 HydrophobicContact CG-CG2 4.04Å; I289-T321 VanDerWaalsContact CD1-OG1 3.27Å; I289-T321 WeakPolarHBondContact CD1-OG1 3.33Å; L310-T321 HydrophobicContact CD2-CG2 3.74Å; K317-T321 VanDerWaalsContact O-CB 3.26Å; K317-T321 WeakPolarHBondContact O-CB 3.41Å; K317-T321 PolarHBondContact O-N 3.16Å; K317-T321 PolarHBondContact O-OG1 3.34Å; L318-T321 PolarHBondContact O-N 3.32Å; T321-L325 HydrophobicContact CG2-CD1 4.25Å; T321-L325 WeakPolarHBondContact O-CB 3.48Å; T321-L325 WeakPolarHBondContact O-CG 3.39Å; T321-L325 PolarHBondContact O-N 3.29Å; T321-L385 HydrophobicContact CG2-CD1 4.07Å; T321-L385 HydrophobicContact CG2-CD2 4.03Å |
| 322 | I | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.1 | -47.1 | 176.4 | -76.4 | 168.9 | 0 | 0 | 0 | 111.5 | L310 L318 S319 L320 L325 V326 V338 P340 L360 G362 | L310-I322 HydrophobicContact CB-CD1 4.27Å; L310-I322 HydrophobicContact CB-CG1 4.37Å; L310-I322 HydrophobicContact CD2-CG1 3.78Å; L318-I322 HydrophobicContact CD1-CD1 4.19Å; L318-I322 HydrophobicContact CG-CD1 4.47Å; L318-I322 PolarHBondContact O-N 2.85Å; L318-I322 VanDerWaalsContact O-N 3.08Å; S319-I322 PolarHBondContact O-N 2.86Å; L320-I322 VanDerWaalsContact C-N 3.34Å; L320-I322 PolarHBondContact O-N 2.91Å; I322-L325 PolarHBondContact O-N 3.24Å; I322-V326 WeakPolarHBondContact O-CG2 3.47Å; I322-V326 PolarHBondContact O-N 3.31Å; I322-V338 HydrophobicContact CG2-CG1 3.66Å; I322-P340 HydrophobicContact CB-CB 4.49Å; I322-P340 WeakPolarHBondContact CD1-O 3.35Å; I322-P340 HydrophobicContact CG2-CB 4.22Å; I322-P340 HydrophobicContact CG2-CG 4.23Å; I322-L360 HydrophobicContact CG1-CD1 4.27Å; I322-L360 HydrophobicContact CG1-CG 4.38Å; I322-L360 HydrophobicContact CG2-CD2 3.85Å; I322-L360 HydrophobicContact CG2-CG 3.98Å; I322-G362 VanDerWaalsContact CD1-N 3.29Å |
| 323 | L | 96.2 | Very high | 94.9 | Very high | 21 Ų | 21 | 25.6 Ų | 25.6 | 11% | 0.11 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.8 | -38.1 | -179.6 | -66.3 | 169.1 | 0 | 0 | 0 | 112 | L84 F281 S319 L320 V326 A327 P340 | L84-L323 HydrophobicContact CD2-CD1 3.45Å; L84-L323 VanDerWaalsContact CD2-CD1 3.45Å; L84-L323 HydrophobicContact CG-CD1 4.34Å; F281-L323 HydrophobicContact CE1-CB 4.18Å; F281-L323 HydrophobicContact CE1-CD1 4.44Å; F281-L323 HydrophobicContact CE2-CB 3.75Å; F281-L323 HydrophobicContact CZ-CB 3.52Å; S319-L323 WeakPolarHBondContact O-CG 3.42Å; S319-L323 PolarHBondContact O-N 3.11Å; S319-L323 VanDerWaalsContact O-N 3.07Å; L320-L323 PolarHBondContact O-N 3.42Å; L323-V326 PolarHBondContact O-N 3.38Å; L323-A327 WeakPolarHBondContact O-CB 3.5Å; L323-A327 PolarHBondContact O-N 2.85Å; L323-P340 HydrophobicContact CD2-CG 3.98Å; L323-P340 HydrophobicContact CG-CG 4.15Å |
| 324 | S | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.9 | -40.3 | 172.8 | -67.8 | 0 | 0 | 0 | 0 | 112.3 | F281 P282 L320 V326 A327 L328 | F281-S324 WeakPolarHBondContact CD2-OG 3.2Å; F281-S324 WeakPolarHBondContact CE2-OG 3.43Å; P282-S324 PolarHBondContact O-OG 2.76Å; L320-S324 WeakPolarHBondContact O-CB 3.39Å; L320-S324 PolarHBondContact O-N 3.26Å; L320-S324 PolarHBondContact O-OG 3.06Å; S324-V326 PolarHBondContact O-N 2.68Å; S324-A327 PolarHBondContact O-N 2.96Å; S324-L328 WeakPolarHBondContact O-CD1 3.32Å; S324-L328 WeakPolarHBondContact O-CG 3.46Å; S324-L328 PolarHBondContact O-N 2.67Å |
| 325 | L | 97.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.9 | -40.6 | 174.6 | -77.8 | 171.3 | 0 | 0 | 0 | 112.5 | P286 T295 L298 I299 L302 L310 T321 I322 | P286-L325 HydrophobicContact CB-CD2 4.15Å; P286-L325 HydrophobicContact CB-CG 4.27Å; P286-L325 HydrophobicContact CG-CD2 4.35Å; P286-L325 HydrophobicContact CG-CG 4.12Å; T295-L325 HydrophobicContact CG2-CD2 4.28Å; L298-L325 HydrophobicContact CB-CD2 4.4Å; L298-L325 HydrophobicContact CD1-CD1 4.23Å; I299-L325 HydrophobicContact CG1-CD2 3.83Å; L302-L325 HydrophobicContact CD1-CB 3.96Å; L310-L325 HydrophobicContact CD2-CD1 3.76Å; T321-L325 HydrophobicContact CG2-CD1 4.25Å; T321-L325 WeakPolarHBondContact O-CB 3.48Å; T321-L325 WeakPolarHBondContact O-CG 3.39Å; T321-L325 PolarHBondContact O-N 3.29Å; I322-L325 PolarHBondContact O-N 3.24Å |
| 326 | V | 95.6 | Very high | 94.3 | Very high | 39 Ų | 39 | 22.2 Ų | 22.2 | 24% | 0.236 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.5 | -42.5 | 175.1 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | I322 L323 S324 L328 L329 V338 L360 | I322-V326 WeakPolarHBondContact O-CG2 3.47Å; I322-V326 PolarHBondContact O-N 3.31Å; L323-V326 PolarHBondContact O-N 3.38Å; S324-V326 PolarHBondContact O-N 2.68Å; V326-L328 VanDerWaalsContact C-N 3.27Å; V326-L328 PolarHBondContact O-N 2.76Å; V326-L329 WeakPolarHBondContact O-CB 3.27Å; V326-L329 WeakPolarHBondContact O-CG 3.49Å; V326-L329 PolarHBondContact O-N 2.78Å; V326-L329 VanDerWaalsContact O-N 3.16Å; V326-V338 HydrophobicContact CG2-CG1 4.09Å; V326-V338 HydrophobicContact CG2-CG2 4.02Å; V326-L360 HydrophobicContact CG2-CD2 3.66Å |
| 327 | A | 94.6 | Very high | 94.3 | Very high | 23 Ų | 23 | 22.9 Ų | 22.9 | 19% | 0.19 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.2 | -30.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I279 L323 S324 L329 Y330 | I279-A327 HydrophobicContact CD1-CB 3.6Å; I279-A327 HydrophobicContact CG1-CB 4.49Å; L323-A327 WeakPolarHBondContact O-CB 3.5Å; L323-A327 PolarHBondContact O-N 2.85Å; S324-A327 PolarHBondContact O-N 2.96Å; A327-L329 PolarHBondContact O-N 3.46Å; A327-Y330 WeakPolarHBondContact O-CB 3.42Å; A327-Y330 PolarHBondContact O-N 3.38Å |
| 328 | L | 95.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -12.7 | 176.1 | -74.5 | 163.3 | 0 | 0 | 0 | 114.2 | V283 F287 I299 S324 V326 Y330 I469 M473 | V283-L328 HydrophobicContact CG1-CD1 4.41Å; V283-L328 HydrophobicContact CG1-CD2 3.63Å; V283-L328 HydrophobicContact CG1-CG 3.88Å; F287-L328 HydrophobicContact CE2-CD1 3.61Å; F287-L328 HydrophobicContact CE2-CD2 4.12Å; F287-L328 HydrophobicContact CZ-CD1 3.93Å; F287-L328 HydrophobicContact CZ-CD2 4.35Å; I299-L328 HydrophobicContact CD1-CB 4.31Å; I299-L328 HydrophobicContact CD1-CD1 4.04Å; S324-L328 WeakPolarHBondContact O-CD1 3.32Å; S324-L328 WeakPolarHBondContact O-CG 3.46Å; S324-L328 PolarHBondContact O-N 2.67Å; V326-L328 VanDerWaalsContact C-N 3.27Å; V326-L328 PolarHBondContact O-N 2.76Å; L328-Y330 VanDerWaalsContact C-N 3.3Å; L328-I469 HydrophobicContact CD2-CG2 3.47Å; L328-I469 VanDerWaalsContact CD2-CG2 3.47Å; L328-M473 HydrophobicContact CD2-CG 3.98Å; L328-M473 VanDerWaalsContact O-CE 3.25Å; L328-M473 WeakPolarHBondContact O-CE 3.15Å |
| 329 | L | 95.2 | Very high | 94.3 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -15.4 | 177.2 | -55 | 175 | 0 | 0 | 0 | 113 | I299 L302 L303 V326 A327 L332 Y334 F477 | I299-L329 HydrophobicContact CG2-CD2 4.2Å; L302-L329 HydrophobicContact CB-CD1 4.15Å; L302-L329 HydrophobicContact CB-CD2 4.14Å; L303-L329 HydrophobicContact CD2-CD2 3.8Å; L303-L329 HydrophobicContact CG-CD2 3.81Å; V326-L329 WeakPolarHBondContact O-CB 3.27Å; V326-L329 WeakPolarHBondContact O-CG 3.49Å; V326-L329 PolarHBondContact O-N 2.78Å; V326-L329 VanDerWaalsContact O-N 3.16Å; A327-L329 PolarHBondContact O-N 3.46Å; L329-L332 CarbonylContact C-O 3.57Å; L329-L332 WeakPolarHBondContact O-CA 3.28Å; L329-L332 VanDerWaalsContact O-CB 3.26Å; L329-L332 WeakPolarHBondContact O-CB 3.15Å; L329-L332 PolarHBondContact O-N 3.35Å; L329-Y334 HydrophobicContact CD1-CD2 3.94Å; L329-Y334 HydrophobicContact CD1-CG 4.31Å; L329-F477 WeakPolarHBondContact O-CE2 3.44Å |
| 330 | Y | 93.7 | Very high | 94.2 | Very high | 30 Ų | 30 | 23.8 Ų | 23.8 | 12% | 0.118 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 132 | 178.8 | 177.8 | -77.6 | 0 | 0 | 0 | 111.5 | L276 P277 A327 L328 I474 N540 Y543 | L276-Y330 HydrophobicContact CD2-CD1 4.37Å; L276-Y330 HydrophobicContact CD2-CE1 3.63Å; P277-Y330 VanDerWaalsContact CD-CE2 3.49Å; P277-Y330 HydrophobicContact CG-CD2 4.1Å; P277-Y330 HydrophobicContact CG-CE2 3.7Å; A327-Y330 WeakPolarHBondContact O-CB 3.42Å; A327-Y330 PolarHBondContact O-N 3.38Å; L328-Y330 VanDerWaalsContact C-N 3.3Å; Y330-I474 HydrophobicContact CD1-CD1 3.57Å; Y330-I474 HydrophobicContact CD1-CG1 3.6Å; Y330-I474 HydrophobicContact CE1-CD1 3.38Å; Y330-I474 HydrophobicContact CE1-CG1 3.79Å; Y330-N540 WeakPolarHBondContact CE2-ND2 3.22Å; Y330-N540 VanDerWaalsContact OH-CG 3.31Å; Y330-N540 PolarHBondContact OH-ND2 3.02Å; Y330-N540 PolarHBondContact OH-OD1 3Å; Y330-Y543 PolarHBondContact OH-N 3.21Å |
| 331 | P | 91.7 | Very high | 94.3 | Very high | 17 Ų | 17 | 22.9 Ų | 22.9 | 11% | 0.11 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -87 | 0.7 | 15.9 | 37.8 | -40.1 | 0 | 0 | 0 | 115.2 | F531 Y543 | P331-F531 HydrophobicContact CB-CD2 4.45Å; P331-F531 HydrophobicContact CB-CE2 3.71Å; P331-F531 HydrophobicContact CB-CZ 4.07Å; P331-F531 HydrophobicContact CG-CE1 4.23Å; P331-F531 HydrophobicContact CG-CE2 3.7Å; P331-F531 HydrophobicContact CG-CZ 3.52Å; P331-Y543 HydrophobicContact CB-CD2 3.79Å; P331-Y543 HydrophobicContact CB-CE2 4.17Å; P331-Y543 HydrophobicContact CB-CG 4.09Å; P331-Y543 HydrophobicContact CG-CD2 3.82Å; P331-Y543 HydrophobicContact CG-CE2 3.71Å |
| 332 | L | 93.2 | Very high | 94.2 | Very high | 9 Ų | 9 | 22.9 Ų | 22.9 | 5% | 0.047 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -72.3 | 145.7 | 174 | -52 | 176.4 | 0 | 0 | 0 | 109.8 | L303 L329 F477 L483 L522 V528 F531 | L303-L332 HydrophobicContact CD2-CD1 3.59Å; L329-L332 CarbonylContact C-O 3.57Å; L329-L332 WeakPolarHBondContact O-CA 3.28Å; L329-L332 VanDerWaalsContact O-CB 3.26Å; L329-L332 WeakPolarHBondContact O-CB 3.15Å; L329-L332 PolarHBondContact O-N 3.35Å; L332-F477 HydrophobicContact CD1-CD1 4.26Å; L332-F477 HydrophobicContact CD1-CE1 3.85Å; L332-F477 HydrophobicContact CD1-CZ 4.21Å; L332-L483 HydrophobicContact CD1-CD1 4.2Å; L332-L483 HydrophobicContact CD2-CD1 4.01Å; L332-L522 HydrophobicContact CD1-CD1 4.39Å; L332-V528 HydrophobicContact CD1-CG2 4.46Å; L332-V528 HydrophobicContact CD2-CG2 4.26Å; L332-F531 HydrophobicContact CD2-CB 3.58Å; L332-F531 HydrophobicContact CD2-CD1 3.43Å; L332-F531 VanDerWaalsContact CD2-CD1 3.43Å; L332-F531 HydrophobicContact CD2-CD2 4.39Å; L332-F531 HydrophobicContact CD2-CE1 4.16Å; L332-F531 HydrophobicContact CD2-CG 3.56Å |
| 333 | Q | 89.6 | Confident | 94 | Very high | 103 Ų | 103 | 22.9 Ų | 22.9 | 48% | 0.481 | 12% | 0.123 | S | C | . | . | trans | -109.6 | 127 | 174.5 | -172.9 | -179.5 | -14.1 | 0 | 0 | 109.4 | M335 Y530 | Q333-M335 HydrophobicContact CB-CE 3.62Å; Q333-M335 HydrophobicContact CG-CE 3.64Å; Q333-M335 WeakPolarHBondContact O-CE 3.5Å; Q333-Y530 HydrophobicContact CB-CD1 4.05Å; Q333-Y530 HydrophobicContact CB-CE1 3.84Å; Q333-Y530 HydrophobicContact CG-CE1 4.45Å; Q333-Y530 VanDerWaalsContact OE1-CZ 3.31Å; Q333-Y530 PolarHBondContact OE1-OH 3.22Å | ||
| 334 | Y | 90.8 | Very high | 93.7 | Very high | 22 Ų | 22 | 22.1 Ų | 22.1 | 9% | 0.086 | 12% | 0.119 | C | C | . | . | trans | -68.8 | 130.6 | 175 | -166.9 | -102.7 | 0 | 0 | 0 | 110.2 | L302 L329 F336 V338 Y359 L360 | L302-Y334 HydrophobicContact CB-CE2 4.26Å; L302-Y334 HydrophobicContact CD2-CE2 3.95Å; L329-Y334 HydrophobicContact CD1-CD2 3.94Å; L329-Y334 HydrophobicContact CD1-CG 4.31Å; Y334-F336 HydrophobicContact CD1-CB 4.34Å; Y334-F336 WeakPolarHBondContact CD1-O 3.34Å; Y334-F336 HydrophobicContact CE1-CB 3.68Å; Y334-F336 HydrophobicContact CE1-CD2 4.39Å; Y334-F336 WeakPolarHBondContact CE1-O 3.28Å; Y334-F336 HydrophobicContact CE2-CD2 4.25Å; Y334-V338 HydrophobicContact CD1-CG2 3.51Å; Y334-V338 HydrophobicContact CE1-CG2 3.79Å; Y334-Y359 WeakPolarHBondContact OH-CA 3.22Å; Y334-Y359 PolarHBondContact OH-N 3.27Å; Y334-Y359 PolarHBondContact OH-O 3.03Å; Y334-L360 HydrophobicContact CE1-CB 4.36Å | ||
| 335 | M | 86 | Confident | 93.3 | Very high | 29 Ų | 29 | 23.8 Ų | 23.8 | 14% | 0.143 | 13% | 0.13 | C | C | . | . | trans | -99.9 | -11.4 | -169.3 | -72.7 | -67.8 | 127.7 | 0 | 0 | 114.9 | Q333 Q526 Y530 | Q333-M335 HydrophobicContact CB-CE 3.62Å; Q333-M335 HydrophobicContact CG-CE 3.64Å; Q333-M335 WeakPolarHBondContact O-CE 3.5Å; M335-Q526 HydrophobicContact CB-CG 4.14Å; M335-Q526 HydrophobicContact CG-CB 4.5Å; M335-Q526 HydrophobicContact CG-CG 4.01Å; M335-Y530 HydrophobicContact CE-CD1 3.35Å; M335-Y530 HydrophobicContact CE-CD2 3.82Å; M335-Y530 HydrophobicContact CE-CE1 3.64Å; M335-Y530 HydrophobicContact CE-CE2 4.08Å; M335-Y530 HydrophobicContact CE-CG 3.42Å; M335-Y530 VanDerWaalsContact CE-CG 3.42Å; M335-Y530 HydrophobicContact SD-CD2 4.15Å; M335-Y530 HydrophobicContact SD-CG 4.08Å | ||
| 336 | F | 92 | Very high | 92.9 | Very high | 47 Ų | 47 | 25 Ų | 25 | 21% | 0.206 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -104.7 | 171.3 | -169.9 | -53.5 | -81.5 | 0 | 0 | 0 | 112.2 | E305 Y334 V338 P358 Q526 | E305-F336 HydrophobicContact CB-CE2 3.96Å; E305-F336 HydrophobicContact CB-CZ 4.39Å; E305-F336 VanDerWaalsContact CD-CE2 3.42Å; E305-F336 HydrophobicContact CG-CE2 3.7Å; E305-F336 HydrophobicContact CG-CZ 4.34Å; E305-F336 VanDerWaalsContact OE1-CE2 3.31Å; E305-F336 WeakPolarHBondContact OE1-CE2 3.21Å; Y334-F336 HydrophobicContact CD1-CB 4.34Å; Y334-F336 WeakPolarHBondContact CD1-O 3.34Å; Y334-F336 HydrophobicContact CE1-CB 3.68Å; Y334-F336 HydrophobicContact CE1-CD2 4.39Å; Y334-F336 WeakPolarHBondContact CE1-O 3.28Å; Y334-F336 HydrophobicContact CE2-CD2 4.25Å; F336-V338 PolarHBondContact O-N 3.42Å; F336-P358 HydrophobicContact CB-CB 4.27Å; F336-P358 WeakPolarHBondContact CB-O 3.35Å; F336-P358 HydrophobicContact CD1-CB 4.01Å; F336-P358 HydrophobicContact CD1-CG 3.92Å; F336-P358 HydrophobicContact CD2-CB 3.92Å; F336-P358 HydrophobicContact CD2-CG 4.24Å; F336-P358 HydrophobicContact CE1-CB 4.35Å; F336-P358 HydrophobicContact CE1-CG 3.79Å; F336-P358 HydrophobicContact CE2-CB 4.29Å; F336-P358 HydrophobicContact CE2-CG 4.14Å; F336-P358 HydrophobicContact CG-CB 3.78Å; F336-P358 HydrophobicContact CG-CG 4.14Å; F336-P358 HydrophobicContact CZ-CB 4.48Å; F336-P358 HydrophobicContact CZ-CG 3.91Å; F336-Q526 HydrophobicContact CE2-CB 4.48Å; F336-Q526 HydrophobicContact CZ-CB 4.07Å |
| 337 | P | 92.7 | Very high | 92.4 | Very high | 68 Ų | 68 | 27.3 Ų | 27.3 | 44% | 0.442 | 15% | 0.152 | S | C | . | . | trans | -55.8 | 126.5 | 179.7 | -27.5 | 37.1 | 0 | 0 | 0 | 113 | Y359 L360 | P337-Y359 WeakPolarHBondContact O-CA 3.36Å; P337-L360 PolarHBondContact O-N 2.94Å | ||
| 338 | V | 95.1 | Very high | 92.1 | Very high | 35 Ų | 35 | 30.9 Ų | 30.9 | 21% | 0.212 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 121.9 | 168.1 | -177.3 | 0 | 0 | 0 | 0 | 107.5 | I322 V326 Y334 F336 P340 L360 | I322-V338 HydrophobicContact CG2-CG1 3.66Å; V326-V338 HydrophobicContact CG2-CG1 4.09Å; V326-V338 HydrophobicContact CG2-CG2 4.02Å; Y334-V338 HydrophobicContact CD1-CG2 3.51Å; Y334-V338 HydrophobicContact CE1-CG2 3.79Å; F336-V338 PolarHBondContact O-N 3.42Å; V338-P340 HydrophobicContact CG1-CG 4.48Å; V338-L360 WeakPolarHBondContact CA-O 3.44Å |
| 339 | I | 96 | Very high | 91.9 | Very high | 31 Ų | 31 | 30.9 Ų | 30.9 | 16% | 0.159 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 96.7 | 176.5 | -54.1 | 178 | 0 | 0 | 0 | 107.2 | L341 L342 L352 L360 I361 G362 | I339-L341 PolarHBondContact O-N 2.89Å; I339-L342 HydrophobicContact CG2-CB 4.06Å; I339-L352 HydrophobicContact CD1-CD1 4Å; I339-L360 PolarHBondContact N-O 3.09Å; I339-I361 HydrophobicContact CB-CG1 4.17Å; I339-I361 HydrophobicContact CB-CG2 4.34Å; I339-I361 HydrophobicContact CD1-CD1 4.19Å; I339-I361 HydrophobicContact CD1-CG1 4.23Å; I339-I361 HydrophobicContact CG1-CG1 4.3Å; I339-I361 CarbonylContact O-C 3.51Å; I339-I361 WeakPolarHBondContact O-CA 3.34Å; I339-G362 PolarHBondContact O-N 3.06Å |
| 340 | P | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -60.8 | -28.2 | -177 | -24.9 | 35.3 | 0 | 0 | 0 | 114 | S86 S319 I322 L323 V338 | S86-P340 WeakPolarHBondContact OG-CD 3.42Å; S86-P340 WeakPolarHBondContact OG-CG 3.38Å; S319-P340 PolarHBondContact OG-O 3.4Å; I322-P340 HydrophobicContact CB-CB 4.49Å; I322-P340 WeakPolarHBondContact CD1-O 3.35Å; I322-P340 HydrophobicContact CG2-CB 4.22Å; I322-P340 HydrophobicContact CG2-CG 4.23Å; L323-P340 HydrophobicContact CD2-CG 3.98Å; L323-P340 HydrophobicContact CG-CG 4.15Å; V338-P340 HydrophobicContact CG1-CG 4.48Å |
| 341 | L | 96.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -148.8 | 112.3 | 177.2 | -179.7 | 67.4 | 0 | 0 | 0 | 109.6 | F52 P55 F83 F85 Y315 L318 I339 P364 | F52-L341 WeakPolarHBondContact CD1-O 3.47Å; F52-L341 VanDerWaalsContact CE1-O 3.26Å; F52-L341 WeakPolarHBondContact CE1-O 3.47Å; P55-L341 HydrophobicContact CB-CD2 4.34Å; P55-L341 HydrophobicContact CB-CG 4.47Å; P55-L341 HydrophobicContact CG-CD2 4.2Å; F83-L341 HydrophobicContact CD2-CD2 3.76Å; F83-L341 HydrophobicContact CE2-CD2 3.52Å; F85-L341 HydrophobicContact CB-CB 4.38Å; F85-L341 HydrophobicContact CB-CD2 4.46Å; Y315-L341 HydrophobicContact CD1-CD1 4.02Å; Y315-L341 HydrophobicContact CG-CD1 4.14Å; Y315-L341 HydrophobicContact CG-CD2 4.39Å; L318-L341 HydrophobicContact CD2-CD1 4.06Å; I339-L341 PolarHBondContact O-N 2.89Å; L341-P364 HydrophobicContact CD1-CG 4.11Å | ||
| 342 | L | 95.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | trans | -95.3 | 117.6 | 172.8 | 178.3 | 62.2 | 0 | 0 | 0 | 109.6 | I339 A344 A349 L352 L353 I361 G362 V363 P364 F367 | I339-L342 HydrophobicContact CG2-CB 4.06Å; L342-A344 PolarHBondContact O-N 3.45Å; L342-A349 HydrophobicContact CD1-CB 4.04Å; L342-A349 HydrophobicContact CD2-CB 4.35Å; L342-A349 HydrophobicContact CG-CB 4.21Å; L342-L352 HydrophobicContact CD1-CD1 3.74Å; L342-L353 HydrophobicContact CD2-CD2 4.45Å; L342-L353 HydrophobicContact CD2-CG 4.4Å; L342-I361 HydrophobicContact CB-CG2 3.89Å; L342-I361 HydrophobicContact CD2-CG2 3.9Å; L342-G362 WeakPolarHBondContact CB-O 3.45Å; L342-G362 PolarHBondContact N-O 3.05Å; L342-V363 HydrophobicContact CB-CG1 4.38Å; L342-V363 HydrophobicContact CD2-CG1 4.32Å; L342-P364 WeakPolarHBondContact O-CD 3.39Å; L342-F367 HydrophobicContact CD2-CE2 3.95Å; L342-F367 HydrophobicContact CD2-CZ 4.11Å; L342-F367 HydrophobicContact CG-CE2 4.08Å | ||
| 343 | P | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -61 | 134.8 | 179.1 | -28.2 | 38.2 | 0 | 0 | 0 | 113.5 | F51 F52 P55 M346 | F51-P343 HydrophobicContact CB-CB 3.96Å; F51-P343 HydrophobicContact CB-CG 3.99Å; F51-P343 WeakPolarHBondContact O-CB 3.32Å; F51-P343 WeakPolarHBondContact O-CG 3.48Å; F52-P343 HydrophobicContact CD1-CG 3.89Å; F52-P343 HydrophobicContact CD2-CG 4.36Å; F52-P343 HydrophobicContact CE1-CG 4.17Å; F52-P343 HydrophobicContact CG-CG 4Å; P55-P343 HydrophobicContact CB-CB 4.3Å; P343-M346 HydrophobicContact CB-CB 3.85Å; P343-M346 HydrophobicContact CG-CE 4.44Å | ||
| 344 | A | 90.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -76.4 | -23.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P55 L342 F367 A370 R371 | P55-A344 PolarHBondContact O-N 3.4Å; L342-A344 PolarHBondContact O-N 3.45Å; A344-F367 HydrophobicContact CB-CB 4.29Å; A344-F367 HydrophobicContact CB-CD2 3.87Å; A344-F367 HydrophobicContact CB-CG 4.43Å; A344-A370 HydrophobicContact CB-CB 4.35Å; A344-R371 PolarHBondContact O-NH1 3.39Å |
| 345 | C | 87.7 | Confident | 91.4 | Very high | 35 Ų | 35 | 39.3 Ų | 39.3 | 24% | 0.236 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -84.8 | -17.4 | 176.7 | 61 | 0 | 0 | 0 | 0 | 114.5 | Q54 P55 | Q54-C345 PolarHBondContact O-SG 2.88Å; P55-C345 PolarHBondContact O-N 3.16Å; P55-C345 PolarHBondContact O-SG 3.48Å |
| 346 | M | 89 | Confident | 91.6 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -64.3 | 132.6 | 179.7 | 169.5 | 175.5 | -75.9 | 0 | 0 | 110.7 | D48 F51 F52 P343 A349 R371 | D48-M346 HydrophobicContact CB-CE 4.14Å; F51-M346 HydrophobicContact CB-CB 4.22Å; F51-M346 HydrophobicContact CB-CE 4.13Å; F51-M346 HydrophobicContact CD2-CB 4.48Å; F51-M346 HydrophobicContact CD2-CE 4.07Å; F51-M346 HydrophobicContact CG-CB 4.22Å; F51-M346 HydrophobicContact CG-CE 4.47Å; F52-M346 HydrophobicContact CD2-CE 4.29Å; F52-M346 HydrophobicContact CE2-CE 3.63Å; F52-M346 HydrophobicContact CZ-CE 4.14Å; P343-M346 HydrophobicContact CB-CB 3.85Å; P343-M346 HydrophobicContact CG-CE 4.44Å; M346-A349 HydrophobicContact CB-CB 4.24Å; M346-A349 HydrophobicContact CG-CB 4.31Å; M346-R371 PolarHBondContact O-NH2 3.38Å |
| 347 | P | 86.3 | Confident | 91.6 | Very high | 87 Ų | 87 | 44.8 Ų | 44.8 | 57% | 0.565 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 142.9 | 173.8 | -24.9 | 34.8 | 0 | 0 | 0 | 112.3 | A349 | P347-A349 PolarHBondContact O-N 3.3Š|
| 348 | D | 88.1 | Confident | 91.7 | Very high | 98 Ų | 98 | 42.7 Ų | 42.7 | 52% | 0.524 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 13.9 | 175.2 | -72.1 | -62.9 | 0 | 0 | 0 | 116.9 | E350 Q351 | D348-E350 PolarHBondContact O-N 2.98Å; D348-E350 VanDerWaalsContact O-N 3.08Å; D348-Q351 HydrophobicContact CB-CG 4.07Å; D348-Q351 VanDerWaalsContact O-CB 3.3Å; D348-Q351 WeakPolarHBondContact O-CB 3.48Å; D348-Q351 WeakPolarHBondContact O-CG 3.01Å; D348-Q351 PolarHBondContact O-N 3.38Å; D348-Q351 PolarHBondContact OD1-NE2 3.36Å |
| 349 | A | 90 | Very high | 91.7 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -52.6 | -33.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L342 M346 P347 Q351 L352 F367 | L342-A349 HydrophobicContact CD1-CB 4.04Å; L342-A349 HydrophobicContact CD2-CB 4.35Å; L342-A349 HydrophobicContact CG-CB 4.21Å; M346-A349 HydrophobicContact CB-CB 4.24Å; M346-A349 HydrophobicContact CG-CB 4.31Å; P347-A349 PolarHBondContact O-N 3.3Å; A349-Q351 PolarHBondContact O-N 2.95Å; A349-L352 PolarHBondContact O-N 2.9Å; A349-F367 HydrophobicContact CB-CE2 4.05Å; A349-F367 HydrophobicContact CB-CZ 4.21Å |
| 350 | E | 89.5 | Confident | 91.8 | Very high | 41 Ų | 41 | 39.6 Ų | 39.6 | 19% | 0.192 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -58.2 | -26.8 | 173.6 | 53 | -99.8 | -109.1 | 0 | 0 | 114.5 | D348 L352 L353 R371 F374 | D348-E350 PolarHBondContact O-N 2.98Å; D348-E350 VanDerWaalsContact O-N 3.08Å; E350-L352 PolarHBondContact O-N 2.79Å; E350-L353 WeakPolarHBondContact O-CB 3.35Å; E350-L353 PolarHBondContact O-N 3.45Å; E350-L353 VanDerWaalsContact O-N 3.14Å; E350-R371 WeakPolarHBondContact OE1-CD 3.44Å; E350-R371 IonicContact OE1-NE 2.73Å; E350-R371 PolarHBondContact OE1-NE 2.89Å; E350-R371 IonicContact OE2-CZ 2.89Å; E350-R371 IonicContact OE2-NE 2.65Å; E350-R371 PolarHBondContact OE2-NE 2.89Å; E350-R371 IonicContact OE2-NH2 3.6Å; E350-R371 PolarHBondContact OE2-NH2 3.3Å; E350-F374 HydrophobicContact CB-CD2 3.65Å; E350-F374 HydrophobicContact CB-CE2 3.99Å; E350-F374 HydrophobicContact CB-CG 4.07Å |
| 351 | Q | 89.7 | Confident | 91.8 | Very high | 115 Ų | 115 | 39.8 Ų | 39.8 | 54% | 0.537 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -65.4 | -28.6 | 179.2 | -60.3 | -168.4 | 23.6 | 0 | 0 | 112.2 | D348 A349 L353 L354 | D348-Q351 HydrophobicContact CB-CG 4.07Å; D348-Q351 VanDerWaalsContact O-CB 3.3Å; D348-Q351 WeakPolarHBondContact O-CB 3.48Å; D348-Q351 WeakPolarHBondContact O-CG 3.01Å; D348-Q351 PolarHBondContact O-N 3.38Å; D348-Q351 PolarHBondContact OD1-NE2 3.36Å; A349-Q351 PolarHBondContact O-N 2.95Å; Q351-L353 VanDerWaalsContact C-N 3.27Å; Q351-L353 PolarHBondContact O-N 3.22Å; Q351-L354 WeakPolarHBondContact O-CB 3.48Å; Q351-L354 PolarHBondContact O-N 3.49Å |
| 352 | L | 90.8 | Very high | 91.8 | Very high | 79 Ų | 79 | 39.8 Ų | 39.8 | 41% | 0.414 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -67.2 | -30.3 | 176.3 | -62.1 | 173.4 | 0 | 0 | 0 | 111.9 | I339 L342 A349 E350 L354 A355 I361 | I339-L352 HydrophobicContact CD1-CD1 4Å; L342-L352 HydrophobicContact CD1-CD1 3.74Å; A349-L352 PolarHBondContact O-N 2.9Å; E350-L352 PolarHBondContact O-N 2.79Å; L352-L354 PolarHBondContact O-N 3.03Å; L352-A355 WeakPolarHBondContact O-CB 3.26Å; L352-A355 PolarHBondContact O-N 2.88Å; L352-I361 HydrophobicContact CB-CD1 4.42Å |
| 353 | L | 92.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -77.8 | -6.3 | 173.6 | -56.8 | 177.3 | 0 | 0 | 0 | 112.9 | V309 L342 E350 Q351 Y359 I361 V363 F367 F374 | V309-L353 HydrophobicContact CG2-CD2 3.88Å; L342-L353 HydrophobicContact CD2-CD2 4.45Å; L342-L353 HydrophobicContact CD2-CG 4.4Å; E350-L353 WeakPolarHBondContact O-CB 3.35Å; E350-L353 PolarHBondContact O-N 3.45Å; E350-L353 VanDerWaalsContact O-N 3.14Å; Q351-L353 VanDerWaalsContact C-N 3.27Å; Q351-L353 PolarHBondContact O-N 3.22Å; L353-Y359 HydrophobicContact CD2-CE2 4.44Å; L353-Y359 PolarHBondContact O-OH 2.73Å; L353-Y359 VanDerWaalsContact O-OH 3.08Å; L353-I361 HydrophobicContact CD2-CB 4.2Å; L353-I361 HydrophobicContact CD2-CD1 3.96Å; L353-I361 HydrophobicContact CD2-CG2 3.91Å; L353-V363 HydrophobicContact CD1-CG1 4.45Å; L353-F367 HydrophobicContact CD1-CD1 4.46Å; L353-F367 HydrophobicContact CD1-CE1 3.63Å; L353-F367 HydrophobicContact CD1-CZ 3.97Å; L353-F374 HydrophobicContact CB-CE2 4.37Å; L353-F374 HydrophobicContact CB-CZ 3.72Å; L353-F374 HydrophobicContact CD1-CE1 3.7Å; L353-F374 HydrophobicContact CD1-CZ 3.7Å; L353-F374 HydrophobicContact CG-CZ 4.37Å |
| 354 | L | 91.1 | Very high | 91.9 | Very high | 104 Ų | 104 | 39.7 Ų | 39.7 | 55% | 0.545 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -98.7 | 4.2 | 174.3 | -59 | -179.6 | 0 | 0 | 0 | 112.7 | Q351 L352 F374 P377 | Q351-L354 WeakPolarHBondContact O-CB 3.48Å; Q351-L354 PolarHBondContact O-N 3.49Å; L352-L354 PolarHBondContact O-N 3.03Å; L354-F374 HydrophobicContact CD2-CE2 3.95Å; L354-F374 HydrophobicContact CG-CE2 4.32Å; L354-P377 HydrophobicContact CD2-CG 3.69Å |
| 355 | A | 90.5 | Very high | 92 | Very high | 24 Ų | 24 | 41.8 Ų | 41.8 | 20% | 0.198 | 24% | 0.24 | C | C | . | . | trans | -57.8 | 137.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K307 L352 T357 Y359 | K307-A355 WeakPolarHBondContact CE-O 3.47Å; K307-A355 PolarHBondContact NZ-O 3.13Å; L352-A355 WeakPolarHBondContact O-CB 3.26Å; L352-A355 PolarHBondContact O-N 2.88Å; A355-T357 VanDerWaalsContact C-N 3.33Å; A355-Y359 HydrophobicContact CB-CD1 4.07Å; A355-Y359 HydrophobicContact CB-CE1 4.2Å | ||
| 356 | P | 90.3 | Very high | 92 | Very high | 122 Ų | 122 | 42.5 Ų | 42.5 | 79% | 0.792 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -75.9 | -24.1 | 177.2 | 30.7 | -34.8 | 0 | 0 | 0 | 112.3 | ||
| 357 | T | 92.2 | Very high | 92 | Very high | 68 Ų | 68 | 41.2 Ų | 41.2 | 42% | 0.417 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -74.8 | 162.3 | 176.1 | 50.3 | 0 | 0 | 0 | 0 | 112 | K307 A355 Y359 | K307-T357 WeakPolarHBondContact CE-O 3.42Å; A355-T357 VanDerWaalsContact C-N 3.33Å; T357-Y359 WeakPolarHBondContact O-CD1 3.31Å |
| 358 | P | 94.1 | Very high | 91.9 | Very high | 24 Ų | 24 | 39.6 Ų | 39.6 | 16% | 0.156 | 22% | 0.22 | C | C | . | . | trans | -57.9 | 158.1 | 165.3 | -19.6 | 32.4 | 0 | 0 | 0 | 111.9 | E305 F336 | E305-P358 HydrophobicContact CB-CB 4.36Å; E305-P358 HydrophobicContact CB-CG 3.97Å; E305-P358 VanDerWaalsContact O-CB 3.3Å; E305-P358 WeakPolarHBondContact O-CB 3.44Å; E305-P358 WeakPolarHBondContact O-CG 3.27Å; F336-P358 HydrophobicContact CB-CB 4.27Å; F336-P358 WeakPolarHBondContact CB-O 3.35Å; F336-P358 HydrophobicContact CD1-CB 4.01Å; F336-P358 HydrophobicContact CD1-CG 3.92Å; F336-P358 HydrophobicContact CD2-CB 3.92Å; F336-P358 HydrophobicContact CD2-CG 4.24Å; F336-P358 HydrophobicContact CE1-CB 4.35Å; F336-P358 HydrophobicContact CE1-CG 3.79Å; F336-P358 HydrophobicContact CE2-CB 4.29Å; F336-P358 HydrophobicContact CE2-CG 4.14Å; F336-P358 HydrophobicContact CG-CB 3.78Å; F336-P358 HydrophobicContact CG-CG 4.14Å; F336-P358 HydrophobicContact CZ-CB 4.48Å; F336-P358 HydrophobicContact CZ-CG 3.91Å | ||
| 359 | Y | 95.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 162.1 | 173.9 | 55 | -104.2 | 0 | 0 | 0 | 111.6 | K307 V308 V309 Y334 P337 L353 A355 T357 I361 V380 | K307-Y359 HydrophobicContact CB-CD1 4.47Å; K307-Y359 HydrophobicContact CB-CE1 4Å; K307-Y359 HydrophobicContact CB-CE2 4.1Å; K307-Y359 HydrophobicContact CD-CD1 4.45Å; K307-Y359 HydrophobicContact CD-CE1 3.68Å; K307-Y359 HydrophobicContact CG-CD1 4.04Å; K307-Y359 HydrophobicContact CG-CE1 3.67Å; V308-Y359 PolarHBondContact N-O 3.47Å; V309-Y359 HydrophobicContact CG2-CE2 3.87Å; Y334-Y359 WeakPolarHBondContact OH-CA 3.22Å; Y334-Y359 PolarHBondContact OH-N 3.27Å; Y334-Y359 PolarHBondContact OH-O 3.03Å; P337-Y359 WeakPolarHBondContact O-CA 3.36Å; L353-Y359 HydrophobicContact CD2-CE2 4.44Å; L353-Y359 PolarHBondContact O-OH 2.73Å; L353-Y359 VanDerWaalsContact O-OH 3.08Å; A355-Y359 HydrophobicContact CB-CD1 4.07Å; A355-Y359 HydrophobicContact CB-CE1 4.2Å; T357-Y359 WeakPolarHBondContact O-CD1 3.31Å; Y359-I361 HydrophobicContact CD2-CB 4.24Å; Y359-I361 HydrophobicContact CD2-CD1 3.59Å; Y359-I361 HydrophobicContact CD2-CG1 3.7Å; Y359-I361 HydrophobicContact CE2-CD1 4.09Å; Y359-I361 HydrophobicContact CE2-CG1 4.43Å; Y359-I361 HydrophobicContact CG-CD1 3.87Å; Y359-I361 HydrophobicContact CG-CG1 4.21Å; Y359-V380 VanDerWaalsContact OH-CG2 3.22Å; Y359-V380 WeakPolarHBondContact OH-CG2 3.17Å |
| 360 | L | 97.2 | Very high | 91 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 110.1 | 167.3 | 173.9 | 57.4 | 0 | 0 | 0 | 109.6 | L302 V308 L310 I322 V326 Y334 P337 V338 I339 | L302-L360 HydrophobicContact CD1-CD2 3.9Å; L302-L360 HydrophobicContact CD2-CB 3.97Å; L302-L360 HydrophobicContact CD2-CD1 4.21Å; L302-L360 HydrophobicContact CD2-CD2 3.92Å; L302-L360 HydrophobicContact CD2-CG 4.25Å; V308-L360 HydrophobicContact CB-CD1 3.96Å; V308-L360 HydrophobicContact CG1-CD1 3.75Å; V308-L360 WeakPolarHBondContact O-CA 3.45Å; L310-L360 HydrophobicContact CD1-CD1 4.01Å; I322-L360 HydrophobicContact CG1-CD1 4.27Å; I322-L360 HydrophobicContact CG1-CG 4.38Å; I322-L360 HydrophobicContact CG2-CD2 3.85Å; I322-L360 HydrophobicContact CG2-CG 3.98Å; V326-L360 HydrophobicContact CG2-CD2 3.66Å; Y334-L360 HydrophobicContact CE1-CB 4.36Å; P337-L360 PolarHBondContact O-N 2.94Å; V338-L360 WeakPolarHBondContact CA-O 3.44Å; I339-L360 PolarHBondContact N-O 3.09Å |
| 361 | I | 97.3 | Very high | 90.5 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 133.3 | -172.7 | -62.6 | 175.6 | 0 | 0 | 0 | 110.8 | V308 V309 L310 I339 L342 L352 L353 Y359 V363 | V308-I361 PolarHBondContact O-N 2.97Å; V309-I361 CarbonylContact C-O 3.57Å; V309-I361 VanDerWaalsContact CA-O 3.23Å; V309-I361 WeakPolarHBondContact CA-O 3.26Å; L310-I361 PolarHBondContact N-O 3.43Å; I339-I361 HydrophobicContact CB-CG1 4.17Å; I339-I361 HydrophobicContact CB-CG2 4.34Å; I339-I361 HydrophobicContact CD1-CD1 4.19Å; I339-I361 HydrophobicContact CD1-CG1 4.23Å; I339-I361 HydrophobicContact CG1-CG1 4.3Å; I339-I361 CarbonylContact O-C 3.51Å; I339-I361 WeakPolarHBondContact O-CA 3.34Å; L342-I361 HydrophobicContact CB-CG2 3.89Å; L342-I361 HydrophobicContact CD2-CG2 3.9Å; L352-I361 HydrophobicContact CB-CD1 4.42Å; L353-I361 HydrophobicContact CD2-CB 4.2Å; L353-I361 HydrophobicContact CD2-CD1 3.96Å; L353-I361 HydrophobicContact CD2-CG2 3.91Å; Y359-I361 HydrophobicContact CD2-CB 4.24Å; Y359-I361 HydrophobicContact CD2-CD1 3.59Å; Y359-I361 HydrophobicContact CD2-CG1 3.7Å; Y359-I361 HydrophobicContact CE2-CD1 4.09Å; Y359-I361 HydrophobicContact CE2-CG1 4.43Å; Y359-I361 HydrophobicContact CG-CD1 3.87Å; Y359-I361 HydrophobicContact CG-CG1 4.21Å; I361-V363 HydrophobicContact CG2-CG1 4.24Å |
| 362 | G | 97.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 131 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L310 I322 I339 L342 | L310-G362 CarbonylContact O-C 3.57Å; L310-G362 WeakPolarHBondContact O-CA 3.44Å; I322-G362 VanDerWaalsContact CD1-N 3.29Å; I339-G362 PolarHBondContact O-N 3.06Å; L342-G362 WeakPolarHBondContact CB-O 3.45Å; L342-G362 PolarHBondContact N-O 3.05Å |
| 363 | V | 95.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 143 | 173.7 | -62 | 0 | 0 | 0 | 0 | 111.7 | V309 L310 Q311 S312 L318 L342 L353 I361 F367 Y368 | V309-V363 HydrophobicContact CG1-CG1 4.3Å; V309-V363 HydrophobicContact CG1-CG2 3.77Å; L310-V363 PolarHBondContact O-N 3.3Å; Q311-V363 VanDerWaalsContact CA-O 3.3Å; Q311-V363 WeakPolarHBondContact CA-O 3.41Å; Q311-V363 HydrophobicContact CB-CG2 3.93Å; S312-V363 PolarHBondContact N-O 2.95Å; L318-V363 WeakPolarHBondContact CD2-O 3.46Å; L342-V363 HydrophobicContact CB-CG1 4.38Å; L342-V363 HydrophobicContact CD2-CG1 4.32Å; L353-V363 HydrophobicContact CD1-CG1 4.45Å; I361-V363 HydrophobicContact CG2-CG1 4.24Å; V363-F367 HydrophobicContact CB-CB 3.99Å; V363-F367 HydrophobicContact CB-CD2 4.23Å; V363-F367 HydrophobicContact CB-CG 4.04Å; V363-F367 HydrophobicContact CG1-CD1 4.41Å; V363-F367 HydrophobicContact CG1-CD2 4.14Å; V363-F367 HydrophobicContact CG1-CE2 4.39Å; V363-F367 HydrophobicContact CG1-CG 4.17Å; V363-F367 HydrophobicContact CG2-CB 4.48Å; V363-Y368 HydrophobicContact CG2-CE2 4.01Å |
| 364 | P | 94.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 142.1 | 163.1 | -27.1 | 36.6 | 0 | 0 | 0 | 111.3 | P55 S312 Y315 L341 L342 T366 F367 | P55-P364 HydrophobicContact CB-CG 4.34Å; S312-P364 WeakPolarHBondContact O-CA 3.39Å; Y315-P364 HydrophobicContact CD1-CG 4.39Å; Y315-P364 HydrophobicContact CE1-CB 4.04Å; Y315-P364 HydrophobicContact CE1-CG 4.07Å; L341-P364 HydrophobicContact CD1-CG 4.11Å; L342-P364 WeakPolarHBondContact O-CD 3.39Å; P364-T366 VanDerWaalsContact CB-OG1 3.23Å; P364-T366 WeakPolarHBondContact CB-OG1 3.46Å; P364-T366 PolarHBondContact O-N 3.42Å; P364-F367 WeakPolarHBondContact O-CB 3.35Å; P364-F367 PolarHBondContact O-N 2.94Å |
| 365 | T | 91.4 | Very high | 87.9 | Confident | 48 Ų | 48 | 57.6 Ų | 57.6 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -24.4 | 173.9 | -55.1 | 0 | 0 | 0 | 0 | 112.3 | S312 S313 F367 D386 | S312-T365 WeakPolarHBondContact CA-OG1 3.38Å; S312-T365 PolarHBondContact N-OG1 2.89Å; S312-T365 PolarHBondContact O-N 3.35Å; S312-T365 PolarHBondContact O-OG1 3.34Å; S313-T365 PolarHBondContact N-OG1 3.06Å; S313-T365 VanDerWaalsContact N-OG1 3.17Å; T365-F367 VanDerWaalsContact C-N 3.34Å; T365-F367 PolarHBondContact O-N 3.22Å; T365-D386 PolarHBondContact OG1-OD2 2.84Å |
| 366 | T | 87.9 | Confident | 87.5 | Confident | 50 Ų | 50 | 58.6 Ų | 58.6 | 31% | 0.307 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -15.9 | 174.6 | 48.7 | 0 | 0 | 0 | 0 | 114.8 | E56 P364 Y368 T369 A370 | E56-T366 WeakPolarHBondContact OE1-CG2 3.08Å; E56-T366 PolarHBondContact OE1-OG1 3.35Å; P364-T366 VanDerWaalsContact CB-OG1 3.23Å; P364-T366 WeakPolarHBondContact CB-OG1 3.46Å; P364-T366 PolarHBondContact O-N 3.42Å; T366-Y368 PolarHBondContact O-N 3.14Å; T366-T369 WeakPolarHBondContact O-CB 3.25Å; T366-T369 PolarHBondContact O-N 3.47Å; T366-T369 VanDerWaalsContact O-N 3.08Å; T366-A370 PolarHBondContact O-N 2.7Å |
| 367 | F | 89.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.7 | -48.5 | -172.7 | -173.9 | -85.3 | 0 | 0 | 0 | 113.1 | L342 A344 A349 L353 V363 P364 T365 T369 A370 R371 F374 | L342-F367 HydrophobicContact CD2-CE2 3.95Å; L342-F367 HydrophobicContact CD2-CZ 4.11Å; L342-F367 HydrophobicContact CG-CE2 4.08Å; A344-F367 HydrophobicContact CB-CB 4.29Å; A344-F367 HydrophobicContact CB-CD2 3.87Å; A344-F367 HydrophobicContact CB-CG 4.43Å; A349-F367 HydrophobicContact CB-CE2 4.05Å; A349-F367 HydrophobicContact CB-CZ 4.21Å; L353-F367 HydrophobicContact CD1-CD1 4.46Å; L353-F367 HydrophobicContact CD1-CE1 3.63Å; L353-F367 HydrophobicContact CD1-CZ 3.97Å; V363-F367 HydrophobicContact CB-CB 3.99Å; V363-F367 HydrophobicContact CB-CD2 4.23Å; V363-F367 HydrophobicContact CB-CG 4.04Å; V363-F367 HydrophobicContact CG1-CD1 4.41Å; V363-F367 HydrophobicContact CG1-CD2 4.14Å; V363-F367 HydrophobicContact CG1-CE2 4.39Å; V363-F367 HydrophobicContact CG1-CG 4.17Å; V363-F367 HydrophobicContact CG2-CB 4.48Å; P364-F367 WeakPolarHBondContact O-CB 3.35Å; P364-F367 PolarHBondContact O-N 2.94Å; T365-F367 VanDerWaalsContact C-N 3.34Å; T365-F367 PolarHBondContact O-N 3.22Å; F367-T369 VanDerWaalsContact C-N 3.34Å; F367-T369 PolarHBondContact O-N 2.9Å; F367-A370 PolarHBondContact O-N 3.16Å; F367-R371 PolarHBondContact O-N 3.32Å; F367-F374 HydrophobicContact CE1-CD1 4.48Å |
| 368 | Y | 83.9 | Confident | 86.9 | Confident | 52 Ų | 52 | 57.2 Ų | 57.2 | 20% | 0.204 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.4 | -33.5 | 179.6 | -48.1 | -83.3 | 0 | 0 | 0 | 112.7 | V363 T366 A370 R371 F374 M376 | V363-Y368 HydrophobicContact CG2-CE2 4.01Å; T366-Y368 PolarHBondContact O-N 3.14Å; Y368-A370 VanDerWaalsContact C-N 3.35Å; Y368-R371 CarbonylContact O-C 3.57Å; Y368-R371 PolarHBondContact O-N 3.04Å; Y368-F374 HydrophobicContact CD1-CD1 4.32Å; Y368-F374 HydrophobicContact CE1-CE1 4.33Å; Y368-M376 HydrophobicContact CE1-CE 3.88Å; Y368-M376 WeakPolarHBondContact OH-CE 3.5Å |
| 369 | T | 81.5 | Confident | 86.7 | Confident | 106 Ų | 106 | 58.7 Ų | 58.7 | 65% | 0.65 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -68.3 | -36.3 | 175.9 | -51.6 | 0 | 0 | 0 | 0 | 111.4 | T366 F367 R371 | T366-T369 WeakPolarHBondContact O-CB 3.25Å; T366-T369 PolarHBondContact O-N 3.47Å; T366-T369 VanDerWaalsContact O-N 3.08Å; F367-T369 VanDerWaalsContact C-N 3.34Å; F367-T369 PolarHBondContact O-N 2.9Å; T369-R371 VanDerWaalsContact C-N 3.31Å |
| 370 | A | 76.7 | Confident | 86.5 | Confident | 56 Ų | 56 | 59 Ų | 59 | 46% | 0.463 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70.9 | -24.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A344 T366 F367 Y368 | A344-A370 HydrophobicContact CB-CB 4.35Å; T366-A370 PolarHBondContact O-N 2.7Å; F367-A370 PolarHBondContact O-N 3.16Å; Y368-A370 VanDerWaalsContact C-N 3.35Å |
| 371 | R | 78.3 | Confident | 86.3 | Confident | 45 Ų | 45 | 59.3 Ų | 59.3 | 17% | 0.17 | 29% | 0.291 | C | S | . | . | trans | -118.1 | 61.7 | -178.4 | -67.7 | -54.9 | -159.3 | -76.1 | -18 | 113.5 | A344 M346 E350 F367 Y368 T369 I373 F374 | A344-R371 PolarHBondContact O-NH1 3.39Å; M346-R371 PolarHBondContact O-NH2 3.38Å; E350-R371 WeakPolarHBondContact OE1-CD 3.44Å; E350-R371 IonicContact OE1-NE 2.73Å; E350-R371 PolarHBondContact OE1-NE 2.89Å; E350-R371 IonicContact OE2-CZ 2.89Å; E350-R371 IonicContact OE2-NE 2.65Å; E350-R371 PolarHBondContact OE2-NE 2.89Å; E350-R371 IonicContact OE2-NH2 3.6Å; E350-R371 PolarHBondContact OE2-NH2 3.3Å; F367-R371 PolarHBondContact O-N 3.32Å; Y368-R371 CarbonylContact O-C 3.57Å; Y368-R371 PolarHBondContact O-N 3.04Å; T369-R371 VanDerWaalsContact C-N 3.31Å; R371-I373 PolarHBondContact O-N 3.4Å; R371-F374 HydrophobicContact CB-CB 3.93Å; R371-F374 WeakPolarHBondContact O-CB 3.41Å; R371-F374 PolarHBondContact O-N 3.37Å | ||
| 372 | K | 69.9 | Low | 86.1 | Confident | 191 Ų | 191 | 60.7 Ų | 60.7 | 83% | 0.83 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -18.9 | -176.5 | -61.9 | -176.3 | 179.7 | 178.3 | 0 | 117.2 | ||
| 373 | I | 77.6 | Confident | 86 | Confident | 169 Ų | 169 | 60.7 Ų | 60.7 | 87% | 0.867 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -27.2 | 178.6 | -61.2 | 174.1 | 0 | 0 | 0 | 111.5 | R371 | R371-I373 PolarHBondContact O-N 3.4Š|
| 374 | F | 81.9 | Confident | 85.9 | Confident | 32 Ų | 32 | 61.9 Ų | 61.9 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | trans | -70.7 | 144.5 | -177.9 | -179.2 | -105.3 | 0 | 0 | 0 | 111.6 | E350 L353 L354 F367 Y368 R371 | E350-F374 HydrophobicContact CB-CD2 3.65Å; E350-F374 HydrophobicContact CB-CE2 3.99Å; E350-F374 HydrophobicContact CB-CG 4.07Å; L353-F374 HydrophobicContact CB-CE2 4.37Å; L353-F374 HydrophobicContact CB-CZ 3.72Å; L353-F374 HydrophobicContact CD1-CE1 3.7Å; L353-F374 HydrophobicContact CD1-CZ 3.7Å; L353-F374 HydrophobicContact CG-CZ 4.37Å; L354-F374 HydrophobicContact CD2-CE2 3.95Å; L354-F374 HydrophobicContact CG-CE2 4.32Å; F367-F374 HydrophobicContact CE1-CD1 4.48Å; Y368-F374 HydrophobicContact CD1-CD1 4.32Å; Y368-F374 HydrophobicContact CE1-CE1 4.33Å; R371-F374 HydrophobicContact CB-CB 3.93Å; R371-F374 WeakPolarHBondContact O-CB 3.41Å; R371-F374 PolarHBondContact O-N 3.37Å | ||
| 375 | R | 80.8 | Confident | 86 | Confident | 218 Ų | 218 | 62.1 Ų | 62.1 | 82% | 0.823 | 31% | 0.306 | S | S | * | . | trans | -134.3 | 135.9 | 169.4 | -65 | -174.1 | 178.4 | -163 | -1 | 108 | ||||
| 376 | M | 83.2 | Confident | 86.1 | Confident | 44 Ų | 44 | 62.9 Ų | 62.9 | 22% | 0.217 | 31% | 0.308 | C | S | . | . | trans | -57.3 | 133.7 | 176.8 | -170.3 | 63.7 | 82.3 | 0 | 0 | 110.5 | V309 Y368 V380 | V309-M376 HydrophobicContact CB-CE 3.91Å; V309-M376 HydrophobicContact CG1-CE 3.86Å; V309-M376 HydrophobicContact CG2-CE 3.74Å; V309-M376 HydrophobicContact CG2-SD 4.23Å; Y368-M376 HydrophobicContact CE1-CE 3.88Å; Y368-M376 WeakPolarHBondContact OH-CE 3.5Å; M376-V380 HydrophobicContact CE-CG1 4.48Å; M376-V380 HydrophobicContact CG-CB 4Å; M376-V380 HydrophobicContact CG-CG1 4.25Å; M376-V380 HydrophobicContact CG-CG2 4.45Å; M376-V380 HydrophobicContact SD-CB 4.03Å; M376-V380 HydrophobicContact SD-CG1 3.8Å; M376-V380 HydrophobicContact SD-CG2 4.16Å | ||
| 377 | P | 85.6 | Confident | 86.3 | Confident | 28 Ų | 28 | 65 Ų | 65 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | trans | -59.6 | 150.2 | 172.2 | -25.5 | 36.4 | 0 | 0 | 0 | 112.5 | L354 D379 V380 | L354-P377 HydrophobicContact CD2-CG 3.69Å; P377-D379 WeakPolarHBondContact CB-OD1 3.34Å; P377-D379 PolarHBondContact O-N 3.41Å; P377-V380 HydrophobicContact CB-CG2 4Å; P377-V380 HydrophobicContact CG-CG2 4.38Å; P377-V380 PolarHBondContact O-N 2.66Å | ||
| 378 | K | 84.2 | Confident | 86.4 | Confident | 133 Ų | 133 | 65.4 Ų | 65.4 | 58% | 0.578 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -3.7 | -171.4 | -61.3 | -173.3 | 176.7 | -174.9 | 0 | 114.6 | P393 M394 V395 | K378-P393 CarbonylContact O-C 3.58Å; K378-P393 WeakPolarHBondContact O-CA 3.17Å; K378-P393 WeakPolarHBondContact O-CB 3.44Å; K378-M394 PolarHBondContact O-N 3.27Å; K378-V395 HydrophobicContact CB-CB 4.47Å; K378-V395 HydrophobicContact CB-CG2 3.66Å; K378-V395 HydrophobicContact CD-CG2 3.87Å; K378-V395 HydrophobicContact CG-CG2 4.46Å |
| 379 | D | 89.4 | Confident | 86.8 | Confident | 56 Ų | 56 | 68 Ų | 68 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 12.7 | -178.4 | 58.7 | -48.5 | 0 | 0 | 0 | 113.1 | K307 P377 V396 | K307-D379 WeakPolarHBondContact CD-OD2 3.2Å; K307-D379 WeakPolarHBondContact CE-OD2 3.4Å; K307-D379 IonicContact NZ-OD2 1.83Å; K307-D379 PolarHBondContact NZ-OD2 2.66Å; P377-D379 WeakPolarHBondContact CB-OD1 3.34Å; P377-D379 PolarHBondContact O-N 3.41Å; D379-V396 HydrophobicContact CB-CG2 3.92Å |
| 380 | V | 91.3 | Very high | 87.2 | Confident | 7 Ų | 7 | 63.3 Ų | 63.3 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.9 | -176.3 | -176.1 | 0 | 0 | 0 | 0 | 110.9 | K307 V309 Y359 M376 P377 | K307-V380 HydrophobicContact CB-CG1 4.43Å; K307-V380 HydrophobicContact CB-CG2 4.1Å; K307-V380 HydrophobicContact CD-CG2 4.19Å; V309-V380 HydrophobicContact CB-CG1 4.22Å; V309-V380 HydrophobicContact CG2-CG1 3.63Å; Y359-V380 VanDerWaalsContact OH-CG2 3.22Å; Y359-V380 WeakPolarHBondContact OH-CG2 3.17Å; M376-V380 HydrophobicContact CE-CG1 4.48Å; M376-V380 HydrophobicContact CG-CB 4Å; M376-V380 HydrophobicContact CG-CG1 4.25Å; M376-V380 HydrophobicContact CG-CG2 4.45Å; M376-V380 HydrophobicContact SD-CB 4.03Å; M376-V380 HydrophobicContact SD-CG1 3.8Å; M376-V380 HydrophobicContact SD-CG2 4.16Å; P377-V380 HydrophobicContact CB-CG2 4Å; P377-V380 HydrophobicContact CG-CG2 4.38Å; P377-V380 PolarHBondContact O-N 2.66Å |
| 381 | W | 92.8 | Very high | 87.7 | Confident | 7 Ų | 7 | 63.3 Ų | 63.3 | 3% | 0.027 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 118.5 | 169.1 | -68.5 | 80 | 0 | 0 | 0 | 109.5 | K307 V308 V309 L390 Y392 P393 I399 | K307-W381 PolarHBondContact O-N 3.26Å; V308-W381 HydrophobicContact CG2-CB 4.44Å; V309-W381 PolarHBondContact N-O 3.22Å; W381-L390 HydrophobicContact CE3-CD1 4.27Å; W381-L390 HydrophobicContact CE3-CD2 4.42Å; W381-L390 HydrophobicContact CE3-CG 4.35Å; W381-L390 HydrophobicContact CZ3-CD2 4.41Å; W381-Y392 HydrophobicContact CE3-CD1 4.46Å; W381-Y392 AromaticContact CH2-CD1 3.53Å; W381-Y392 HydrophobicContact CH2-CD1 3.53Å; W381-Y392 AromaticContact CH2-CE1 4Å; W381-Y392 HydrophobicContact CH2-CE1 4Å; W381-Y392 HydrophobicContact CH2-CG 4.47Å; W381-Y392 AromaticContact CZ3-CD1 3.34Å; W381-Y392 HydrophobicContact CZ3-CD1 3.34Å; W381-Y392 AromaticContact CZ3-CE1 3.66Å; W381-Y392 HydrophobicContact CZ3-CE1 3.66Å; W381-Y392 HydrophobicContact CZ3-CG 4.08Å; W381-P393 HydrophobicContact CD2-CG 4.17Å; W381-P393 VanDerWaalsContact CE2-CD 3.46Å; W381-P393 HydrophobicContact CG-CG 4.4Å; W381-P393 HydrophobicContact CZ2-CG 3.94Å; W381-I399 HydrophobicContact CD2-CD1 4.46Å; W381-I399 HydrophobicContact CH2-CD1 4.05Å; W381-I399 HydrophobicContact CH2-CG1 4.49Å; W381-I399 HydrophobicContact CZ2-CB 4.44Å; W381-I399 HydrophobicContact CZ2-CD1 3.3Å; W381-I399 HydrophobicContact CZ2-CG1 3.73Å |
| 382 | L | 93.7 | Very high | 87.8 | Confident | 33 Ų | 33 | 68.2 Ų | 68.2 | 17% | 0.173 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 118.5 | 175.8 | 171.6 | 65.3 | 0 | 0 | 0 | 110.5 | V309 Q311 S391 | V309-L382 HydrophobicContact CB-CD1 4.08Å; V309-L382 HydrophobicContact CG1-CD1 3.8Å; V309-L382 WeakPolarHBondContact O-CA 3.41Å; Q311-L382 HydrophobicContact CB-CD1 4.26Å; Q311-L382 HydrophobicContact CG-CD1 4.1Å; L382-S391 WeakPolarHBondContact CB-OG 3.39Å; L382-S391 PolarHBondContact O-N 3.08Å; L382-S391 PolarHBondContact O-OG 3.36Å |
| 383 | A | 94.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 131.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | M290 L298 V309 L310 Q311 E389 L390 | M290-A383 HydrophobicContact CE-CB 3.82Å; M290-A383 HydrophobicContact SD-CB 4.27Å; L298-A383 HydrophobicContact CD1-CB 3.94Å; L298-A383 HydrophobicContact CD2-CB 4.18Å; V309-A383 PolarHBondContact O-N 2.83Å; L310-A383 CarbonylContact C-O 3.57Å; L310-A383 WeakPolarHBondContact CA-O 3.16Å; L310-A383 HydrophobicContact CD1-CB 3.98Å; L310-A383 HydrophobicContact CG-CB 4.02Å; Q311-A383 PolarHBondContact N-O 2.68Å; A383-E389 WeakPolarHBondContact CA-O 3.37Å; A383-L390 HydrophobicContact CB-CD1 3.88Å |
| 384 | D | 94.9 | Very high | 87.6 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 13% | 0.134 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 116.8 | 178.1 | -177.6 | -52.3 | 0 | 0 | 0 | 109.3 | Q311 D386 T387 G388 E389 | Q311-D384 HydrophobicContact CG-CB 3.93Å; Q311-D384 PolarHBondContact NE2-OD2 3.43Å; D384-D386 VanDerWaalsContact C-N 3.34Å; D384-D386 WeakPolarHBondContact OD1-CA 3.4Å; D384-D386 PolarHBondContact OD1-N 3.3Å; D384-T387 WeakPolarHBondContact CB-OG1 3.48Å; D384-T387 PolarHBondContact OD1-N 2.94Å; D384-T387 PolarHBondContact OD1-OG1 3.08Å; D384-G388 CarbonylContact O-C 3.42Å; D384-G388 WeakPolarHBondContact O-CA 3.42Å; D384-G388 PolarHBondContact O-N 3.43Å; D384-E389 PolarHBondContact N-O 2.93Å; D384-E389 PolarHBondContact O-N 2.77Å |
| 385 | L | 95.3 | Very high | 86.6 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -4.9 | -176.9 | -54.9 | -178.5 | 0 | 0 | 0 | 113.3 | I289 M290 L310 Q311 K317 L318 T321 | I289-L385 HydrophobicContact CG2-CB 4.13Å; I289-L385 HydrophobicContact CG2-CD2 4.25Å; I289-L385 WeakPolarHBondContact CG2-O 3.07Å; M290-L385 HydrophobicContact CG-CD2 4.07Å; M290-L385 HydrophobicContact SD-CD2 3.76Å; L310-L385 HydrophobicContact CB-CD1 4.44Å; L310-L385 HydrophobicContact CD2-CD1 4.23Å; L310-L385 HydrophobicContact CD2-CD2 4.14Å; L310-L385 HydrophobicContact CG-CD2 4.3Å; Q311-L385 WeakPolarHBondContact O-CB 3.28Å; Q311-L385 PolarHBondContact O-N 2.97Å; K317-L385 PolarHBondContact NZ-O 2.75Å; L318-L385 HydrophobicContact CB-CD1 4.48Å; L318-L385 HydrophobicContact CD1-CD1 3.88Å; T321-L385 HydrophobicContact CG2-CD1 4.07Å; T321-L385 HydrophobicContact CG2-CD2 4.03Å |
| 386 | D | 93.8 | Very high | 85.8 | Confident | 64 Ų | 64 | 55 Ų | 55 | 34% | 0.342 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -34.9 | -180 | -64.6 | -8 | 0 | 0 | 0 | 111.1 | S312 S313 K317 T365 D384 | S312-D386 WeakPolarHBondContact CB-OD1 3.2Å; S312-D386 PolarHBondContact OG-OD1 3.31Å; S313-D386 WeakPolarHBondContact CB-OD2 3.14Å; S313-D386 PolarHBondContact N-OD2 2.71Å; S313-D386 PolarHBondContact OG-OD2 3.26Å; K317-D386 IonicContact NZ-OD1 3.18Å; K317-D386 PolarHBondContact NZ-OD1 3.04Å; T365-D386 PolarHBondContact OG1-OD2 2.84Å; D384-D386 VanDerWaalsContact C-N 3.34Å; D384-D386 WeakPolarHBondContact OD1-CA 3.4Å; D384-D386 PolarHBondContact OD1-N 3.3Å |
| 387 | T | 93.6 | Very high | 84.8 | Confident | 94 Ų | 94 | 60.1 Ų | 60.1 | 58% | 0.577 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -18.2 | 170.6 | 59.4 | 0 | 0 | 0 | 0 | 112.9 | D384 E389 | D384-T387 WeakPolarHBondContact CB-OG1 3.48Å; D384-T387 PolarHBondContact OD1-N 2.94Å; D384-T387 PolarHBondContact OD1-OG1 3.08Å; T387-E389 VanDerWaalsContact C-N 3.25Å; T387-E389 PolarHBondContact O-N 2.96Å; T387-E389 PolarHBondContact OG1-N 2.67Å |
| 388 | G | 91.6 | Very high | 83.9 | Confident | 8 Ų | 8 | 67.5 Ų | 67.5 | 8% | 0.082 | 35% | 0.348 | C | S | . | . | trans | 72.4 | 14 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K294 D384 | K294-G388 WeakPolarHBondContact CD-O 3.45Å; K294-G388 WeakPolarHBondContact CE-O 3.3Å; K294-G388 PolarHBondContact NZ-O 2.77Å; D384-G388 CarbonylContact O-C 3.42Å; D384-G388 WeakPolarHBondContact O-CA 3.42Å; D384-G388 PolarHBondContact O-N 3.43Å | ||
| 389 | E | 91.2 | Very high | 83.8 | Confident | 106 Ų | 106 | 61.5 Ų | 61.5 | 50% | 0.495 | 32% | 0.322 | S | S | . | . | trans | -88.7 | 154.2 | -178.1 | -78.2 | -52.1 | 141.9 | 0 | 0 | 114.9 | K294 A383 D384 T387 | K294-E389 WeakPolarHBondContact CE-OE2 3.42Å; K294-E389 IonicContact NZ-OE1 2.67Å; K294-E389 PolarHBondContact NZ-OE1 3.11Å; K294-E389 IonicContact NZ-OE2 2.75Å; K294-E389 PolarHBondContact NZ-OE2 2.77Å; A383-E389 WeakPolarHBondContact CA-O 3.37Å; D384-E389 PolarHBondContact N-O 2.93Å; D384-E389 PolarHBondContact O-N 2.77Å; T387-E389 VanDerWaalsContact C-N 3.25Å; T387-E389 PolarHBondContact O-N 2.96Å; T387-E389 PolarHBondContact OG1-N 2.67Å | ||
| 390 | L | 90.1 | Very high | 83.5 | Confident | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 114.4 | 176.8 | -179.8 | 64.9 | 0 | 0 | 0 | 108.8 | M290 R297 L298 W381 A383 Y392 | M290-L390 HydrophobicContact CE-CB 4.29Å; R297-L390 HydrophobicContact CB-CD2 4.06Å; R297-L390 HydrophobicContact CG-CD2 3.97Å; L298-L390 HydrophobicContact CD2-CD1 3.73Å; L298-L390 HydrophobicContact CG-CD1 4.2Å; W381-L390 HydrophobicContact CE3-CD1 4.27Å; W381-L390 HydrophobicContact CE3-CD2 4.42Å; W381-L390 HydrophobicContact CE3-CG 4.35Å; W381-L390 HydrophobicContact CZ3-CD2 4.41Å; A383-L390 HydrophobicContact CB-CD1 3.88Å; L390-Y392 WeakPolarHBondContact O-CD2 3.44Å; L390-Y392 WeakPolarHBondContact O-CE2 3.45Å |
| 391 | S | 86.7 | Confident | 82.9 | Confident | 57 Ų | 57 | 66.7 Ų | 66.7 | 40% | 0.399 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 149.2 | 176.8 | 66.6 | 0 | 0 | 0 | 0 | 111.7 | L382 | L382-S391 WeakPolarHBondContact CB-OG 3.39Å; L382-S391 PolarHBondContact O-N 3.08Å; L382-S391 PolarHBondContact O-OG 3.36Å |
| 392 | Y | 80.5 | Confident | 82.3 | Confident | 148 Ų | 148 | 67.3 Ų | 67.3 | 58% | 0.58 | 35% | 0.349 | S | S | * | . | trans | -107.9 | 135.2 | -169.7 | -62.1 | -100.5 | 0 | 0 | 0 | 110.2 | W381 L390 | W381-Y392 HydrophobicContact CE3-CD1 4.46Å; W381-Y392 AromaticContact CH2-CD1 3.53Å; W381-Y392 HydrophobicContact CH2-CD1 3.53Å; W381-Y392 AromaticContact CH2-CE1 4Å; W381-Y392 HydrophobicContact CH2-CE1 4Å; W381-Y392 HydrophobicContact CH2-CG 4.47Å; W381-Y392 AromaticContact CZ3-CD1 3.34Å; W381-Y392 HydrophobicContact CZ3-CD1 3.34Å; W381-Y392 AromaticContact CZ3-CE1 3.66Å; W381-Y392 HydrophobicContact CZ3-CE1 3.66Å; W381-Y392 HydrophobicContact CZ3-CG 4.08Å; L390-Y392 WeakPolarHBondContact O-CD2 3.44Å; L390-Y392 WeakPolarHBondContact O-CE2 3.45Å | ||
| 393 | P | 78.4 | Confident | 81.6 | Confident | 23 Ų | 23 | 66.5 Ų | 66.5 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | trans | -65.7 | 149.9 | 175.9 | 27.7 | -35.3 | 0 | 0 | 0 | 111.8 | K378 W381 V396 | K378-P393 CarbonylContact O-C 3.58Å; K378-P393 WeakPolarHBondContact O-CA 3.17Å; K378-P393 WeakPolarHBondContact O-CB 3.44Å; W381-P393 HydrophobicContact CD2-CG 4.17Å; W381-P393 VanDerWaalsContact CE2-CD 3.46Å; W381-P393 HydrophobicContact CG-CG 4.4Å; W381-P393 HydrophobicContact CZ2-CG 3.94Å; P393-V396 HydrophobicContact CB-CB 4.34Å; P393-V396 HydrophobicContact CB-CG2 3.82Å; P393-V396 HydrophobicContact CG-CB 3.95Å; P393-V396 HydrophobicContact CG-CG2 3.86Å | ||
| 394 | M | 64.9 | Low | 80.9 | Confident | 159 Ų | 159 | 73.5 Ų | 73.5 | 78% | 0.783 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -89 | -9.6 | -176.7 | -63.6 | -172.1 | 79.5 | 0 | 0 | 114.4 | K378 | K378-M394 PolarHBondContact O-N 3.27Š|
| 395 | V | 62.9 | Low | 80.4 | Confident | 103 Ų | 103 | 76.4 Ų | 76.4 | 62% | 0.624 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -137.6 | 23.8 | -164.1 | -161.4 | 0 | 0 | 0 | 0 | 112 | K378 | K378-V395 HydrophobicContact CB-CB 4.47Å; K378-V395 HydrophobicContact CB-CG2 3.66Å; K378-V395 HydrophobicContact CD-CG2 3.87Å; K378-V395 HydrophobicContact CG-CG2 4.46Å |
| 396 | V | 63.3 | Low | 79.9 | Confident | 47 Ų | 47 | 77.1 Ų | 77.1 | 29% | 0.285 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -121.6 | 141.2 | 179.6 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | D379 P393 | D379-V396 HydrophobicContact CB-CG2 3.92Å; P393-V396 HydrophobicContact CB-CB 4.34Å; P393-V396 HydrophobicContact CB-CG2 3.82Å; P393-V396 HydrophobicContact CG-CB 3.95Å; P393-V396 HydrophobicContact CG-CG2 3.86Å |
| 397 | D | 61.3 | Low | 79.6 | Confident | 151 Ų | 151 | 75 Ų | 75 | 81% | 0.807 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 142.6 | 172 | -63.3 | -50.7 | 0 | 0 | 0 | 110.4 | I399 | D397-I399 PolarHBondContact O-N 3.29Å; D397-I399 VanDerWaalsContact O-N 3.09Å |
| 398 | E | 68.3 | Low | 79.2 | Confident | 183 Ų | 183 | 75.3 Ų | 75.3 | 86% | 0.855 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 120.2 | 180 | -67.7 | -168.2 | 146.7 | 0 | 0 | 110.4 | P400 | E398-P400 WeakPolarHBondContact O-CD 3.46Š|
| 399 | I | 80.2 | Confident | 79 | Confident | 7 Ų | 7 | 77.7 Ų | 77.7 | 4% | 0.036 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 119.5 | 176.2 | -73.5 | -179.9 | 0 | 0 | 0 | 107.9 | R297 M300 C301 L304 Q306 W381 D397 | R297-I399 VanDerWaalsContact CZ-O 3.25Å; R297-I399 PolarHBondContact NH1-O 2.99Å; R297-I399 PolarHBondContact NH2-O 3.41Å; M300-I399 HydrophobicContact CB-CG2 4.18Å; M300-I399 HydrophobicContact CE-CG2 3.91Å; M300-I399 HydrophobicContact SD-CG2 4.5Å; C301-I399 HydrophobicContact CB-CD1 4.26Å; C301-I399 WeakPolarHBondContact SG-CD1 3.34Å; L304-I399 HydrophobicContact CD1-CG2 4.01Å; Q306-I399 HydrophobicContact CG-CD1 4.08Å; W381-I399 HydrophobicContact CD2-CD1 4.46Å; W381-I399 HydrophobicContact CH2-CD1 4.05Å; W381-I399 HydrophobicContact CH2-CG1 4.49Å; W381-I399 HydrophobicContact CZ2-CB 4.44Å; W381-I399 HydrophobicContact CZ2-CD1 3.3Å; W381-I399 HydrophobicContact CZ2-CG1 3.73Å; D397-I399 PolarHBondContact O-N 3.29Å; D397-I399 VanDerWaalsContact O-N 3.09Å |
| 400 | P | 83.4 | Confident | 78.9 | Confident | 14 Ų | 14 | 72.8 Ų | 72.8 | 9% | 0.091 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 150.7 | -172.6 | 25.9 | -37.2 | 0 | 0 | 0 | 110.7 | M300 L304 E398 L517 F518 M521 | M300-P400 WeakPolarHBondContact CE-O 3.22Å; L304-P400 HydrophobicContact CD1-CG 3.96Å; E398-P400 WeakPolarHBondContact O-CD 3.46Å; P400-L517 HydrophobicContact CB-CB 3.88Å; P400-L517 HydrophobicContact CB-CD2 4Å; P400-L517 HydrophobicContact CB-CG 3.82Å; P400-L517 HydrophobicContact CG-CG 4.17Å; P400-F518 HydrophobicContact CB-CB 4.23Å; P400-F518 HydrophobicContact CG-CB 3.93Å; P400-F518 HydrophobicContact CG-CD2 4.44Å; P400-M521 HydrophobicContact CG-SD 3.72Å |
| 401 | E | 78.9 | Confident | 78.9 | Confident | 159 Ų | 159 | 73.5 Ų | 73.5 | 74% | 0.743 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 151.8 | 173.3 | -60.2 | -158.2 | 131.7 | 0 | 0 | 111.9 | F518 | E401-F518 WeakPolarHBondContact O-CB 3.44Š|
| 402 | L | 80.1 | Confident | 78.9 | Confident | 20 Ų | 20 | 73.6 Ų | 73.6 | 11% | 0.105 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 156.4 | 173 | -67.2 | 124.3 | 0 | 0 | 0 | 110.7 | F296 M300 E404 F476 F518 | F296-L402 HydrophobicContact CD1-CD1 3.76Å; F296-L402 HydrophobicContact CE1-CD1 3.31Å; F296-L402 HydrophobicContact CE1-CD2 4.08Å; F296-L402 HydrophobicContact CE1-CG 4.28Å; F296-L402 HydrophobicContact CE2-CD2 4.39Å; F296-L402 HydrophobicContact CZ-CD1 3.73Å; F296-L402 HydrophobicContact CZ-CD2 3.64Å; F296-L402 HydrophobicContact CZ-CG 4.32Å; M300-L402 HydrophobicContact CE-CD1 3.7Å; M300-L402 HydrophobicContact CE-CD2 4.49Å; M300-L402 HydrophobicContact CE-CG 3.6Å; M300-L402 HydrophobicContact CG-CD1 3.93Å; M300-L402 HydrophobicContact CG-CG 4.31Å; M300-L402 HydrophobicContact SD-CD1 3.34Å; M300-L402 WeakPolarHBondContact SD-CD1 3.42Å; M300-L402 HydrophobicContact SD-CG 3.95Å; L402-E404 PolarHBondContact O-N 3.36Å; L402-E404 VanDerWaalsContact O-N 3.1Å; L402-F476 HydrophobicContact CD2-CE1 4.49Å; L402-F476 HydrophobicContact CD2-CE2 3.97Å; L402-F476 HydrophobicContact CD2-CZ 3.49Å; L402-F476 VanDerWaalsContact CD2-CZ 3.49Å; L402-F518 HydrophobicContact CD2-CD1 4.36Å; L402-F518 HydrophobicContact CD2-CE1 3.98Å; L402-F518 HydrophobicContact CD2-CE2 4.41Å; L402-F518 HydrophobicContact CD2-CZ 4.01Å |
| 403 | P | 79.5 | Confident | 79.2 | Confident | 16 Ų | 16 | 67.7 Ų | 67.7 | 10% | 0.104 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -47.2 | 118.3 | 161.8 | -27.8 | 36.6 | 0 | 0 | 0 | 111.7 | I405 E406 S407 N481 I482 | P403-I405 VanDerWaalsContact C-N 3.26Å; P403-I405 PolarHBondContact O-N 2.88Å; P403-E406 HydrophobicContact CB-CB 4.31Å; P403-E406 HydrophobicContact CB-CG 4.41Å; P403-E406 WeakPolarHBondContact CB-OE2 3.42Å; P403-E406 PolarHBondContact O-N 3.08Å; P403-S407 WeakPolarHBondContact O-CB 3.43Å; P403-S407 PolarHBondContact O-N 3.02Å; P403-N481 HydrophobicContact CG-CB 4.39Å; P403-I482 HydrophobicContact CG-CD1 3.79Å |
| 404 | E | 79.3 | Confident | 79.7 | Confident | 146 Ų | 146 | 66.6 Ų | 66.6 | 68% | 0.682 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -56.9 | -38.7 | -171.3 | -65.8 | -174.7 | 138 | 0 | 0 | 112.9 | L402 N408 | L402-E404 PolarHBondContact O-N 3.36Å; L402-E404 VanDerWaalsContact O-N 3.1Å; E404-N408 VanDerWaalsContact O-CB 3.27Å; E404-N408 WeakPolarHBondContact O-CB 3.44Å; E404-N408 PolarHBondContact O-N 2.97Å; E404-N408 PolarHBondContact O-ND2 3.37Å |
| 405 | I | 84.2 | Confident | 80.9 | Confident | 86 Ų | 86 | 65.9 Ų | 65.9 | 44% | 0.441 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.9 | -52.6 | -172.2 | -60.3 | 171.2 | 0 | 0 | 0 | 109.2 | P403 S407 N408 I409 | P403-I405 VanDerWaalsContact C-N 3.26Å; P403-I405 PolarHBondContact O-N 2.88Å; I405-S407 PolarHBondContact O-N 2.67Å; I405-N408 PolarHBondContact O-N 3.11Å; I405-I409 HydrophobicContact CG2-CD1 3.92Å; I405-I409 WeakPolarHBondContact O-CD1 3.47Å; I405-I409 VanDerWaalsContact O-CG1 3.26Å; I405-I409 WeakPolarHBondContact O-CG1 3.42Å; I405-I409 PolarHBondContact O-N 3.29Å |
| 406 | E | 86.8 | Confident | 81.9 | Confident | 21 Ų | 21 | 64.2 Ų | 64.2 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.3 | -42 | 178.3 | -65.9 | 72.1 | -170 | 0 | 0 | 111.3 | P403 I409 L410 F476 T479 N481 | P403-E406 HydrophobicContact CB-CB 4.31Å; P403-E406 HydrophobicContact CB-CG 4.41Å; P403-E406 WeakPolarHBondContact CB-OE2 3.42Å; P403-E406 PolarHBondContact O-N 3.08Å; E406-I409 PolarHBondContact O-N 3.29Å; E406-L410 PolarHBondContact O-N 3.05Å; E406-F476 HydrophobicContact CB-CD2 4.19Å; E406-F476 HydrophobicContact CB-CE2 4.12Å; E406-T479 HydrophobicContact CG-CG2 4.07Å; E406-N481 PolarHBondContact OE1-ND2 3.32Å |
| 407 | S | 85.7 | Confident | 83 | Confident | 18 Ų | 18 | 62 Ų | 62 | 13% | 0.126 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 174.4 | -176.5 | 0 | 0 | 0 | 0 | 112 | P403 I405 I409 L410 I411 | P403-S407 WeakPolarHBondContact O-CB 3.43Å; P403-S407 PolarHBondContact O-N 3.02Å; I405-S407 PolarHBondContact O-N 2.67Å; S407-I409 VanDerWaalsContact C-N 3.34Å; S407-I409 PolarHBondContact O-N 2.85Å; S407-L410 PolarHBondContact O-N 2.83Å; S407-I411 WeakPolarHBondContact O-CB 3.48Å; S407-I411 VanDerWaalsContact O-CG1 3.23Å; S407-I411 WeakPolarHBondContact O-CG1 3.42Å; S407-I411 PolarHBondContact O-N 2.86Å |
| 408 | N | 86.4 | Confident | 84.2 | Confident | 101 Ų | 101 | 56 Ų | 56 | 54% | 0.54 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.3 | -34.6 | 177.8 | -81.5 | -63.5 | 0 | 0 | 0 | 112.8 | E404 I405 S412 | E404-N408 VanDerWaalsContact O-CB 3.27Å; E404-N408 WeakPolarHBondContact O-CB 3.44Å; E404-N408 PolarHBondContact O-N 2.97Å; E404-N408 PolarHBondContact O-ND2 3.37Å; I405-N408 PolarHBondContact O-N 3.11Å; N408-S412 VanDerWaalsContact O-CB 3.23Å; N408-S412 WeakPolarHBondContact O-CB 3.46Å; N408-S412 PolarHBondContact O-N 3.19Å |
| 409 | I | 87.5 | Confident | 84.4 | Confident | 58 Ų | 58 | 53.5 Ų | 53.5 | 30% | 0.297 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.6 | -51.1 | 174.5 | -70.2 | 161.5 | 0 | 0 | 0 | 110.4 | I405 E406 S407 I411 S412 H413 L450 | I405-I409 HydrophobicContact CG2-CD1 3.92Å; I405-I409 WeakPolarHBondContact O-CD1 3.47Å; I405-I409 VanDerWaalsContact O-CG1 3.26Å; I405-I409 WeakPolarHBondContact O-CG1 3.42Å; I405-I409 PolarHBondContact O-N 3.29Å; E406-I409 PolarHBondContact O-N 3.29Å; S407-I409 VanDerWaalsContact C-N 3.34Å; S407-I409 PolarHBondContact O-N 2.85Å; I409-I411 PolarHBondContact O-N 3.28Å; I409-S412 WeakPolarHBondContact O-CB 3.5Å; I409-S412 PolarHBondContact O-N 3.09Å; I409-S412 VanDerWaalsContact O-N 3.17Å; I409-H413 PolarHBondContact O-CD2 3.25Å; I409-H413 VanDerWaalsContact O-CD2 3.27Å; I409-H413 PolarHBondContact O-N 3.49Å; I409-L450 HydrophobicContact CD1-CD1 4.12Å; I409-L450 HydrophobicContact CG2-CD1 4.26Å; I409-L450 HydrophobicContact CG2-CD2 4.08Å |
| 410 | L | 89.2 | Confident | 83.6 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 178.5 | 177.8 | 58.4 | 0 | 0 | 0 | 111.8 | F296 E406 S407 S412 H413 L414 M473 F476 | F296-L410 HydrophobicContact CE1-CD2 4.27Å; F296-L410 HydrophobicContact CE2-CD2 3.67Å; F296-L410 HydrophobicContact CZ-CD2 3.51Å; E406-L410 PolarHBondContact O-N 3.05Å; S407-L410 PolarHBondContact O-N 2.83Å; L410-S412 VanDerWaalsContact C-N 3.25Å; L410-S412 PolarHBondContact O-N 2.98Å; L410-H413 PolarHBondContact O-N 3.47Å; L410-H413 VanDerWaalsContact O-N 3.15Å; L410-L414 HydrophobicContact CD1-CD1 4.03Å; L410-L414 HydrophobicContact CD1-CD2 4.5Å; L410-L414 HydrophobicContact CD1-CG 4.01Å; L410-L414 HydrophobicContact CG-CD1 3.97Å; L410-L414 HydrophobicContact CG-CG 4.38Å; L410-L414 WeakPolarHBondContact O-CG 3.49Å; L410-L414 PolarHBondContact O-N 3.4Å; L410-M473 HydrophobicContact CD1-SD 4.34Å; L410-M473 HydrophobicContact CD2-SD 3.8Å; L410-F476 HydrophobicContact CB-CD2 4.42Å; L410-F476 HydrophobicContact CD1-CB 4.5Å; L410-F476 HydrophobicContact CD2-CB 3.94Å; L410-F476 HydrophobicContact CD2-CD1 4.29Å; L410-F476 HydrophobicContact CD2-CD2 4.01Å; L410-F476 HydrophobicContact CD2-CG 3.8Å |
| 411 | I | 88.8 | Confident | 82.4 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 12% | 0.118 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -34.3 | 176.3 | -69 | 167.4 | 0 | 0 | 0 | 111.2 | I292 F296 S407 I409 R415 | I292-I411 HydrophobicContact CG2-CG1 4.35Å; F296-I411 HydrophobicContact CD1-CD1 4.42Å; F296-I411 HydrophobicContact CD1-CG1 4.46Å; S407-I411 WeakPolarHBondContact O-CB 3.48Å; S407-I411 VanDerWaalsContact O-CG1 3.23Å; S407-I411 WeakPolarHBondContact O-CG1 3.42Å; S407-I411 PolarHBondContact O-N 2.86Å; I409-I411 PolarHBondContact O-N 3.28Å; I411-R415 HydrophobicContact CG2-CG 4.43Å; I411-R415 VanDerWaalsContact CG2-CZ 3.48Å; I411-R415 VanDerWaalsContact O-CB 3.28Å; I411-R415 WeakPolarHBondContact O-CB 3.33Å; I411-R415 WeakPolarHBondContact O-CG 3.41Å; I411-R415 PolarHBondContact O-N 3.26Å |
| 412 | S | 86.7 | Confident | 81.8 | Confident | 59 Ų | 59 | 55.5 Ų | 55.5 | 41% | 0.413 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 173.4 | -173.6 | 0 | 0 | 0 | 0 | 111.9 | N408 I409 L410 R415 K416 | N408-S412 VanDerWaalsContact O-CB 3.23Å; N408-S412 WeakPolarHBondContact O-CB 3.46Å; N408-S412 PolarHBondContact O-N 3.19Å; I409-S412 WeakPolarHBondContact O-CB 3.5Å; I409-S412 PolarHBondContact O-N 3.09Å; I409-S412 VanDerWaalsContact O-N 3.17Å; L410-S412 VanDerWaalsContact C-N 3.25Å; L410-S412 PolarHBondContact O-N 2.98Å; S412-R415 PolarHBondContact O-N 2.9Å; S412-K416 PolarHBondContact O-N 2.88Å |
| 413 | H | 87.9 | Confident | 80.5 | Confident | 25 Ų | 25 | 59.9 Ų | 59.9 | 12% | 0.116 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 177.3 | -67.6 | -167.7 | 0 | 0 | 0 | 111.7 | I409 L410 R415 K416 L417 F453 P455 | I409-H413 PolarHBondContact O-CD2 3.25Å; I409-H413 VanDerWaalsContact O-CD2 3.27Å; I409-H413 PolarHBondContact O-N 3.49Å; L410-H413 PolarHBondContact O-N 3.47Å; L410-H413 VanDerWaalsContact O-N 3.15Å; H413-R415 PolarHBondContact O-N 3.42Å; H413-K416 WeakPolarHBondContact O-CB 2.86Å; H413-K416 PolarHBondContact O-N 3.19Å; H413-L417 WeakPolarHBondContact O-CD1 3.44Å; H413-L417 WeakPolarHBondContact O-CG 3.48Å; H413-L417 PolarHBondContact O-N 3.05Å; H413-F453 AromaticContact CE1-CD1 3.85Å; H413-F453 AromaticContact ND1-CD1 3.74Å; H413-F453 AromaticContact ND1-CE1 3.67Å; H413-P455 HydrophobicContact CB-CG 3.86Å |
| 414 | L | 88.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 177.7 | -65.4 | 174.3 | 0 | 0 | 0 | 112.1 | F287 I292 L410 L417 L418 I469 | F287-L414 HydrophobicContact CE1-CD1 3.8Å; F287-L414 HydrophobicContact CZ-CD1 4.21Å; F287-L414 HydrophobicContact CZ-CD2 4.42Å; I292-L414 HydrophobicContact CD1-CB 4.38Å; I292-L414 HydrophobicContact CG2-CD1 4.3Å; L410-L414 HydrophobicContact CD1-CD1 4.03Å; L410-L414 HydrophobicContact CD1-CD2 4.5Å; L410-L414 HydrophobicContact CD1-CG 4.01Å; L410-L414 HydrophobicContact CG-CD1 3.97Å; L410-L414 HydrophobicContact CG-CG 4.38Å; L410-L414 WeakPolarHBondContact O-CG 3.49Å; L410-L414 PolarHBondContact O-N 3.4Å; L414-L417 PolarHBondContact O-N 2.86Å; L414-L418 WeakPolarHBondContact O-CB 3.08Å; L414-L418 VanDerWaalsContact O-CG 3.27Å; L414-L418 WeakPolarHBondContact O-CG 3.37Å; L414-L418 PolarHBondContact O-N 2.67Å; L414-I469 HydrophobicContact CD2-CB 4.3Å; L414-I469 HydrophobicContact CD2-CG1 3.94Å; L414-I469 HydrophobicContact CD2-CG2 3.94Å |
| 415 | R | 88.7 | Confident | 76.6 | Confident | 143 Ų | 143 | 60.3 Ų | 60.3 | 54% | 0.54 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 174.3 | -81.4 | 174.6 | 178.3 | 151.9 | 0.6 | 112.2 | I292 I411 S412 H413 H419 | I292-R415 HydrophobicContact CD1-CG 3.65Å; I411-R415 HydrophobicContact CG2-CG 4.43Å; I411-R415 VanDerWaalsContact CG2-CZ 3.48Å; I411-R415 VanDerWaalsContact O-CB 3.28Å; I411-R415 WeakPolarHBondContact O-CB 3.33Å; I411-R415 WeakPolarHBondContact O-CG 3.41Å; I411-R415 PolarHBondContact O-N 3.26Å; S412-R415 PolarHBondContact O-N 2.9Å; H413-R415 PolarHBondContact O-N 3.42Å; R415-H419 WeakPolarHBondContact O-CB 3.47Å; R415-H419 PolarHBondContact O-N 3.5Å |
| 416 | K | 85.4 | Confident | 74.3 | Confident | 69 Ų | 69 | 63.4 Ų | 63.4 | 30% | 0.3 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.3 | -56.2 | 175.4 | -81.4 | 178.8 | 153.8 | -149.4 | 0 | 111.4 | S412 H413 L418 H419 E420 D454 P455 L456 | S412-K416 PolarHBondContact O-N 2.88Å; H413-K416 WeakPolarHBondContact O-CB 2.86Å; H413-K416 PolarHBondContact O-N 3.19Å; K416-L418 VanDerWaalsContact C-N 3.33Å; K416-L418 PolarHBondContact O-N 3.46Å; K416-H419 PolarHBondContact O-N 2.89Å; K416-E420 PolarHBondContact O-N 3.34Å; K416-E420 VanDerWaalsContact O-N 3.09Å; K416-D454 IonicContact NZ-OD1 2.68Å; K416-D454 PolarHBondContact NZ-OD1 2.83Å; K416-D454 VanDerWaalsContact NZ-OD1 3.15Å; K416-P455 HydrophobicContact CB-CB 4.26Å; K416-P455 HydrophobicContact CD-CB 4.31Å; K416-P455 HydrophobicContact CD-CG 3.99Å; K416-L456 HydrophobicContact CB-CD2 3.74Å; K416-L456 HydrophobicContact CD-CD2 3.73Å; K416-L456 HydrophobicContact CD-CG 4.48Å; K416-L456 HydrophobicContact CG-CD2 3.87Å |
| 417 | L | 86.4 | Confident | 71.8 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -54.5 | -46.2 | -178.1 | -74.4 | 163.3 | 0 | 0 | 0 | 112.6 | H413 L414 F421 P455 V465 I469 | H413-L417 WeakPolarHBondContact O-CD1 3.44Å; H413-L417 WeakPolarHBondContact O-CG 3.48Å; H413-L417 PolarHBondContact O-N 3.05Å; L414-L417 PolarHBondContact O-N 2.86Å; L417-F421 VanDerWaalsContact O-CB 3.26Å; L417-F421 WeakPolarHBondContact O-CB 3.38Å; L417-P455 HydrophobicContact CD1-CB 4.26Å; L417-P455 HydrophobicContact CD2-CB 4.03Å; L417-P455 VanDerWaalsContact CD2-O 3.26Å; L417-P455 WeakPolarHBondContact CD2-O 3.26Å; L417-P455 HydrophobicContact CG-CB 3.79Å; L417-V465 HydrophobicContact CB-CG1 4.34Å; L417-I469 HydrophobicContact CD1-CG1 4.06Å |
| 418 | L | 85.5 | Confident | 69 | Low | 26 Ų | 26 | 74.1 Ų | 74.1 | 14% | 0.136 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -81 | -39.1 | -176.6 | -63.5 | 169.3 | 0 | 0 | 0 | 112.7 | N284 F287 I292 L414 K416 S422 I469 | N284-L418 HydrophobicContact CB-CD2 4.05Å; F287-L418 HydrophobicContact CB-CD1 3.79Å; F287-L418 HydrophobicContact CG-CD1 4.27Å; I292-L418 HydrophobicContact CD1-CD1 4.04Å; I292-L418 HydrophobicContact CG1-CD1 4.03Å; L414-L418 WeakPolarHBondContact O-CB 3.08Å; L414-L418 VanDerWaalsContact O-CG 3.27Å; L414-L418 WeakPolarHBondContact O-CG 3.37Å; L414-L418 PolarHBondContact O-N 2.67Å; K416-L418 VanDerWaalsContact C-N 3.33Å; K416-L418 PolarHBondContact O-N 3.46Å; L418-S422 PolarHBondContact O-N 3.4Å; L418-S422 VanDerWaalsContact O-N 3.16Å; L418-S422 PolarHBondContact O-OG 3.35Å; L418-S422 VanDerWaalsContact O-OG 3.14Å; L418-I469 HydrophobicContact CD2-CD1 4.24Å |
| 419 | H | 73.8 | Confident | 66.3 | Low | 130 Ų | 130 | 75 Ų | 75 | 60% | 0.602 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -75.9 | -39.8 | -174.3 | -173.3 | -84.5 | 0 | 0 | 0 | 112.9 | R415 K416 N423 | R415-H419 WeakPolarHBondContact O-CB 3.47Å; R415-H419 PolarHBondContact O-N 3.5Å; K416-H419 PolarHBondContact O-N 2.89Å; H419-N423 PolarHBondContact CE1-ND2 3.06Å; H419-N423 VanDerWaalsContact CE1-ND2 3.3Å; H419-N423 PolarHBondContact ND1-ND2 3.11Å; H419-N423 PolarHBondContact O-N 3.16Å; H419-N423 PolarHBondContact O-ND2 2.99Å |
| 420 | E | 62 | Low | 63.3 | Low | 77 Ų | 77 | 80.2 Ų | 80.2 | 36% | 0.36 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -72.1 | -36.5 | 176.5 | -74.7 | 179.7 | -150.7 | 0 | 0 | 111.5 | K416 S422 N423 S424 L456 T459 | K416-E420 PolarHBondContact O-N 3.34Å; K416-E420 VanDerWaalsContact O-N 3.09Å; E420-S422 PolarHBondContact O-N 2.93Å; E420-N423 PolarHBondContact O-N 3.37Å; E420-N423 VanDerWaalsContact O-N 3.15Å; E420-S424 PolarHBondContact O-N 2.91Å; E420-L456 VanDerWaalsContact OE1-CD2 3.23Å; E420-L456 WeakPolarHBondContact OE1-CD2 3.35Å; E420-L456 WeakPolarHBondContact OE2-CD2 3.26Å; E420-T459 HydrophobicContact CB-CG2 3.94Å |
| 421 | F | 59.1 | Low | 60.5 | Low | 45 Ų | 45 | 85.8 Ų | 85.8 | 20% | 0.197 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -58.2 | -48.8 | 173.1 | -177.5 | -100.6 | 0 | 0 | 0 | 112 | L417 N423 S424 K462 V465 | L417-F421 VanDerWaalsContact O-CB 3.26Å; L417-F421 WeakPolarHBondContact O-CB 3.38Å; F421-N423 PolarHBondContact O-N 2.69Å; F421-N423 VanDerWaalsContact O-N 3.13Å; F421-S424 PolarHBondContact O-N 3.11Å; F421-K462 HydrophobicContact CE1-CG 4.48Å; F421-K462 HydrophobicContact CE2-CB 4.05Å; F421-K462 HydrophobicContact CZ-CB 3.73Å; F421-K462 HydrophobicContact CZ-CD 4.37Å; F421-K462 HydrophobicContact CZ-CG 4.11Å; F421-V465 HydrophobicContact CB-CG2 4.12Å; F421-V465 HydrophobicContact CD2-CG2 3.88Å; F421-V465 HydrophobicContact CG-CG2 4.1Å |
| 422 | S | 65.9 | Low | 57.4 | Low | 99 Ų | 99 | 93.6 Ų | 93.6 | 69% | 0.692 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -8 | 177.8 | -61.9 | 0 | 0 | 0 | 0 | 115.4 | L418 E420 | L418-S422 PolarHBondContact O-N 3.4Å; L418-S422 VanDerWaalsContact O-N 3.16Å; L418-S422 PolarHBondContact O-OG 3.35Å; L418-S422 VanDerWaalsContact O-OG 3.14Å; E420-S422 PolarHBondContact O-N 2.93Å |
| 423 | N | 52.5 | Low | 54.5 | Low | 112 Ų | 112 | 97.8 Ų | 97.8 | 60% | 0.599 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -5.5 | 177.3 | -76 | -76.9 | 0 | 0 | 0 | 113.4 | H419 E420 F421 | H419-N423 PolarHBondContact CE1-ND2 3.06Å; H419-N423 VanDerWaalsContact CE1-ND2 3.3Å; H419-N423 PolarHBondContact ND1-ND2 3.11Å; H419-N423 PolarHBondContact O-N 3.16Å; H419-N423 PolarHBondContact O-ND2 2.99Å; E420-N423 PolarHBondContact O-N 3.37Å; E420-N423 VanDerWaalsContact O-N 3.15Å; F421-N423 PolarHBondContact O-N 2.69Å; F421-N423 VanDerWaalsContact O-N 3.13Å |
| 424 | S | 44.3 | Very low | 51.5 | Low | 68 Ų | 68 | 101.2 Ų | 101.2 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -77.5 | 130.6 | 175.6 | -166.6 | 0 | 0 | 0 | 0 | 110.1 | E420 F421 H426 | E420-S424 PolarHBondContact O-N 2.91Å; F421-S424 PolarHBondContact O-N 3.11Å; S424-H426 PolarHBondContact O-N 3.26Å |
| 425 | P | 33.1 | Very low | 48.3 | Very low | 103 Ų | 103 | 106.8 Ų | 106.8 | 67% | 0.669 | 57% | 0.569 | S | S | * | * | trans | -65.7 | 126.8 | 170.4 | 28.6 | -32.4 | 0 | 0 | 0 | 108.8 | I427 | P425-I427 PolarHBondContact O-N 2.9Š| ||
| 426 | H | 36.7 | Very low | 45.3 | Very low | 152 Ų | 152 | 109.4 Ų | 109.4 | 70% | 0.704 | 59% | 0.585 | S | S | * | * | trans | -54.1 | 108.8 | 174.9 | -108 | -104.3 | 0 | 0 | 0 | 110.1 | S424 D428 | S424-H426 PolarHBondContact O-N 3.26Å; H426-D428 IonicContact ND1-OD1 3.13Å; H426-D428 PolarHBondContact ND1-OD1 3.09Å; H426-D428 VanDerWaalsContact ND1-OD1 3.13Å; H426-D428 PolarHBondContact O-N 2.77Å | ||
| 427 | I | 33.1 | Very low | 42.3 | Very low | 132 Ų | 132 | 114.4 Ų | 114.4 | 68% | 0.677 | 61% | 0.609 | S | S | * | * | trans | -90.2 | 92.6 | 161.7 | -46.2 | -179.4 | 0 | 0 | 0 | 105.4 | P425 L429 | P425-I427 PolarHBondContact O-N 2.9Å; I427-L429 HydrophobicContact CB-CG 4.49Å; I427-L429 HydrophobicContact CG2-CD2 3.63Å; I427-L429 HydrophobicContact CG2-CG 3.72Å; I427-L429 PolarHBondContact O-N 3.36Å | ||
| 428 | D | 27.6 | Very low | 39.4 | Very low | 131 Ų | 131 | 122.8 Ų | 122.8 | 70% | 0.701 | 64% | 0.64 | S | S | * | * | trans | -68.2 | 89.7 | 167.5 | -70.6 | -21.2 | 0 | 0 | 0 | 107.5 | H426 D430 | H426-D428 IonicContact ND1-OD1 3.13Å; H426-D428 PolarHBondContact ND1-OD1 3.09Å; H426-D428 VanDerWaalsContact ND1-OD1 3.13Å; H426-D428 PolarHBondContact O-N 2.77Å; D428-D430 PolarHBondContact O-N 3.09Å | ||
| 429 | L | 29 | Very low | 36.3 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 63% | 0.628 | 67% | 0.668 | S | S | * | * | trans | -81.3 | 89.6 | 169.1 | -67.7 | 178.6 | 0 | 0 | 0 | 108.3 | I427 L431 | I427-L429 HydrophobicContact CB-CG 4.49Å; I427-L429 HydrophobicContact CG2-CD2 3.63Å; I427-L429 HydrophobicContact CG2-CG 3.72Å; I427-L429 PolarHBondContact O-N 3.36Å; L429-L431 HydrophobicContact CB-CB 4.36Å; L429-L431 HydrophobicContact CB-CD1 4.01Å; L429-L431 HydrophobicContact CB-CG 4.18Å; L429-L431 HydrophobicContact CD1-CD1 3.94Å; L429-L431 PolarHBondContact O-N 3.43Å | ||
| 430 | D | 25.3 | Very low | 34.1 | Very low | 167 Ų | 167 | 125 Ų | 125 | 89% | 0.893 | 67% | 0.669 | S | S | * | * | trans | -57.6 | 95.1 | 152.6 | -80.3 | -38 | 0 | 0 | 0 | 107.4 | D428 | D428-D430 PolarHBondContact O-N 3.09Š| ||
| 431 | L | 30.5 | Very low | 32.4 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 63% | 0.634 | 69% | 0.692 | S | S | * | * | trans | -113.1 | 67.2 | -170 | -119.8 | 174.9 | 0 | 0 | 0 | 111.3 | L429 D433 | L429-L431 HydrophobicContact CB-CB 4.36Å; L429-L431 HydrophobicContact CB-CD1 4.01Å; L429-L431 HydrophobicContact CB-CG 4.18Å; L429-L431 HydrophobicContact CD1-CD1 3.94Å; L429-L431 PolarHBondContact O-N 3.43Å; L431-D433 WeakPolarHBondContact CD2-O 3.44Å | ||
| 432 | E | 23.8 | Very low | 30.8 | Very low | 186 Ų | 186 | 132 Ų | 132 | 87% | 0.869 | 73% | 0.725 | S | S | * | * | trans | -82.4 | 152.7 | 139 | -63.8 | -158.2 | 145.4 | 0 | 0 | 108.8 | ||||
| 433 | D | 24.3 | Very low | 28.9 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 74 | 145.2 | 176.5 | -106 | -24 | 0 | 0 | 0 | 121.9 | L431 | L431-D433 WeakPolarHBondContact CD2-O 3.44Š|
| 434 | S | 24.7 | Very low | 27.6 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | trans | 73 | 84.8 | 164.5 | 74.2 | 0 | 0 | 0 | 0 | 120.3 | K436 | S434-K436 PolarHBondContact O-N 2.69Š| ||
| 435 | S | 23.7 | Very low | 26.6 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -56.9 | 126.2 | 156.4 | 55.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 436 | K | 24.7 | Very low | 26.3 | Very low | 198 Ų | 198 | 136.2 Ų | 136.2 | 86% | 0.861 | 74% | 0.737 | S | S | * | * | trans | -159 | 95.3 | 162.3 | -109.5 | 150.7 | -170.8 | 171.1 | 0 | 114.8 | S434 | S434-K436 PolarHBondContact O-N 2.69Š| ||
| 437 | H | 23.1 | Very low | 25.8 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | trans | 49.2 | 90.1 | 137.3 | -149.9 | -68.6 | 0 | 0 | 0 | 119.2 | ||||
| 438 | W | 24 | Very low | 25.6 | Very low | 176 Ų | 176 | 130 Ų | 130 | 67% | 0.667 | 72% | 0.723 | S | S | * | * | trans | -85.9 | 141.1 | 160.6 | 75.8 | -70.2 | 0 | 0 | 0 | 111 | V440 | W438-V440 HydrophobicContact CE3-CB 3.81Å; W438-V440 HydrophobicContact CE3-CG2 3.46Å; W438-V440 VanDerWaalsContact CE3-CG2 3.46Å; W438-V440 HydrophobicContact CZ3-CB 3.55Å; W438-V440 HydrophobicContact CZ3-CG1 4.17Å; W438-V440 HydrophobicContact CZ3-CG2 3.51Å | ||
| 439 | S | 21.4 | Very low | 26.1 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | trans | -129.6 | 106.8 | 177.5 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 440 | V | 27.6 | Very low | 26.6 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 62% | 0.618 | 71% | 0.708 | S | S | * | * | trans | -115.2 | 121.5 | -180 | 156.9 | 0 | 0 | 0 | 0 | 111.6 | W438 | W438-V440 HydrophobicContact CE3-CB 3.81Å; W438-V440 HydrophobicContact CE3-CG2 3.46Å; W438-V440 VanDerWaalsContact CE3-CG2 3.46Å; W438-V440 HydrophobicContact CZ3-CB 3.55Å; W438-V440 HydrophobicContact CZ3-CG1 4.17Å; W438-V440 HydrophobicContact CZ3-CG2 3.51Å | ||
| 441 | S | 25.1 | Very low | 27.4 | Very low | 122 Ų | 122 | 124 Ų | 124 | 85% | 0.853 | 69% | 0.692 | S | S | * | * | trans | -78.7 | 137.3 | 176.7 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 442 | V | 26.3 | Very low | 28.5 | Very low | 145 Ų | 145 | 123.7 Ų | 123.7 | 88% | 0.879 | 69% | 0.686 | S | S | * | * | trans | -101.9 | 119.3 | -174.8 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 443 | A | 25.8 | Very low | 30.7 | Very low | 97 Ų | 97 | 115.2 Ų | 115.2 | 80% | 0.802 | 65% | 0.646 | S | S | * | * | trans | -161.8 | 144.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 444 | R | 25.4 | Very low | 33 | Very low | 217 Ų | 217 | 111.5 Ų | 111.5 | 82% | 0.819 | 63% | 0.626 | S | S | * | * | cis | -159.8 | 163 | -12.1 | -169 | 169.7 | -176.4 | 158.1 | 1.4 | 109.6 | ||||
| 445 | A | 23.7 | Very low | 35.3 | Very low | 52 Ų | 52 | 107 Ų | 107 | 43% | 0.43 | 60% | 0.595 | S | S | . | * | trans | -72.7 | 150.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 446 | T | 25.6 | Very low | 37.7 | Very low | 106 Ų | 106 | 104 Ų | 104 | 65% | 0.65 | 57% | 0.57 | S | S | * | * | S | Bend | cis | -154.8 | 132.1 | 1.8 | -6.5 | 0 | 0 | 0 | 0 | 113.1 | L448 | T446-L448 HydrophobicContact CG2-CD1 4.15Š|
| 447 | A | 26.8 | Very low | 40.1 | Very low | 91 Ų | 91 | 100.8 Ų | 100.8 | 75% | 0.752 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -164.7 | 44 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | S451 | A447-S451 PolarHBondContact O-OG 2.95Š|
| 448 | L | 29.9 | Very low | 42.7 | Very low | 61 Ų | 61 | 92.8 Ų | 92.8 | 32% | 0.319 | 52% | 0.524 | S | S | . | . | trans | -121 | 110.9 | -143.8 | -70.6 | 160.8 | 0 | 0 | 0 | 113.5 | T446 S451 K452 | T446-L448 HydrophobicContact CG2-CD1 4.15Å; L448-S451 WeakPolarHBondContact CA-OG 3.36Å; L448-S451 WeakPolarHBondContact CD2-OG 3.37Å; L448-K452 HydrophobicContact CD2-CG 3.75Å | ||
| 449 | E | 36.8 | Very low | 45.1 | Very low | 149 Ų | 149 | 85.7 Ų | 85.7 | 70% | 0.696 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -135.2 | -54.2 | 138.2 | -71.2 | -162.8 | 143.6 | 0 | 0 | 109.6 | ||
| 450 | L | 39.7 | Very low | 47.6 | Very low | 63 Ų | 63 | 88 Ų | 88 | 33% | 0.33 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -72.5 | -26.2 | 175.2 | -85.7 | 158.8 | 0 | 0 | 0 | 114.6 | I409 K452 F453 | I409-L450 HydrophobicContact CD1-CD1 4.12Å; I409-L450 HydrophobicContact CG2-CD1 4.26Å; I409-L450 HydrophobicContact CG2-CD2 4.08Å; L450-K452 VanDerWaalsContact C-N 3.3Å; L450-K452 PolarHBondContact O-N 2.8Å; L450-F453 PolarHBondContact O-N 2.79Å |
| 451 | S | 41.8 | Very low | 50.2 | Low | 80 Ų | 80 | 85.9 Ų | 85.9 | 56% | 0.559 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -83.1 | 6.3 | -173.7 | 45.9 | 0 | 0 | 0 | 0 | 115.4 | A447 L448 | A447-S451 PolarHBondContact O-OG 2.95Å; L448-S451 WeakPolarHBondContact CA-OG 3.36Å; L448-S451 WeakPolarHBondContact CD2-OG 3.37Å |
| 452 | K | 55.3 | Low | 53 | Low | 115 Ų | 115 | 83.7 Ų | 83.7 | 50% | 0.5 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -87.6 | -23.4 | 165.9 | -76 | -173.2 | 178.5 | 178.3 | 0 | 113.2 | L448 L450 Y551 | L448-K452 HydrophobicContact CD2-CG 3.75Å; L450-K452 VanDerWaalsContact C-N 3.3Å; L450-K452 PolarHBondContact O-N 2.8Å; K452-Y551 HydrophobicContact CB-CD2 4.46Å; K452-Y551 HydrophobicContact CB-CE2 3.73Å |
| 453 | F | 68.4 | Low | 56 | Low | 9 Ų | 9 | 79.1 Ų | 79.1 | 4% | 0.039 | 44% | 0.437 | C | S | . | . | trans | -95.8 | 104.7 | -178.4 | 178.2 | -98.1 | 0 | 0 | 0 | 108.4 | H413 L450 P455 Y458 V471 S472 L475 Y551 | H413-F453 AromaticContact CE1-CD1 3.85Å; H413-F453 AromaticContact ND1-CD1 3.74Å; H413-F453 AromaticContact ND1-CE1 3.67Å; L450-F453 PolarHBondContact O-N 2.79Å; F453-P455 HydrophobicContact CD1-CG 4.11Å; F453-P455 HydrophobicContact CE1-CB 4.13Å; F453-P455 HydrophobicContact CE1-CG 3.75Å; F453-Y458 AromaticContact CD2-CE2 3.96Å; F453-Y458 HydrophobicContact CD2-CE2 3.96Å; F453-Y458 HydrophobicContact CE2-CD2 4.15Å; F453-Y458 AromaticContact CE2-CE2 3.27Å; F453-Y458 HydrophobicContact CE2-CE2 3.27Å; F453-Y458 AromaticContact CE2-CZ 3.65Å; F453-Y458 WeakPolarHBondContact CE2-OH 3.49Å; F453-Y458 HydrophobicContact CZ-CD2 4.34Å; F453-Y458 AromaticContact CZ-CE2 3.88Å; F453-Y458 HydrophobicContact CZ-CE2 3.88Å; F453-V471 HydrophobicContact CD2-CB 4.46Å; F453-V471 HydrophobicContact CD2-CG1 3.56Å; F453-V471 HydrophobicContact CE2-CB 3.66Å; F453-V471 HydrophobicContact CE2-CG1 3.24Å; F453-V471 HydrophobicContact CZ-CB 4.12Å; F453-V471 HydrophobicContact CZ-CG1 3.99Å; F453-S472 WeakPolarHBondContact CE1-OG 3.44Å; F453-L475 HydrophobicContact CB-CD1 3.78Å; F453-L475 HydrophobicContact CD1-CD1 3.89Å; F453-L475 HydrophobicContact CD2-CD1 4Å; F453-L475 HydrophobicContact CE1-CD1 4.46Å; F453-L475 HydrophobicContact CG-CD1 3.62Å; F453-Y551 HydrophobicContact CB-CD2 4.21Å; F453-Y551 HydrophobicContact CB-CE2 3.85Å; F453-Y551 HydrophobicContact CD2-CD1 4.33Å; F453-Y551 HydrophobicContact CD2-CD2 4.33Å; F453-Y551 HydrophobicContact CD2-CG 4.2Å | ||
| 454 | D | 73.1 | Confident | 58.9 | Low | 69 Ų | 69 | 74.9 Ų | 74.9 | 37% | 0.369 | 40% | 0.401 | S | S | . | . | trans | -96 | 115.4 | 165.5 | -163.3 | -4.2 | 0 | 0 | 0 | 109.1 | K416 L456 L457 | K416-D454 IonicContact NZ-OD1 2.68Å; K416-D454 PolarHBondContact NZ-OD1 2.83Å; K416-D454 VanDerWaalsContact NZ-OD1 3.15Å; D454-L456 PolarHBondContact O-N 2.98Å; D454-L456 VanDerWaalsContact O-N 3.08Å; D454-L456 WeakPolarHBondContact OD1-CG 3.45Å; D454-L456 PolarHBondContact OD1-N 2.93Å; D454-L457 HydrophobicContact CB-CD1 4.42Å; D454-L457 HydrophobicContact CB-CG 4.4Å; D454-L457 PolarHBondContact O-N 2.62Å | ||
| 455 | P | 73.2 | Confident | 62 | Low | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.019 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -59.2 | -21.3 | 178.5 | -17.6 | 25.9 | 0 | 0 | 0 | 113.3 | H413 K416 L417 F453 L457 Y458 | H413-P455 HydrophobicContact CB-CG 3.86Å; K416-P455 HydrophobicContact CB-CB 4.26Å; K416-P455 HydrophobicContact CD-CB 4.31Å; K416-P455 HydrophobicContact CD-CG 3.99Å; L417-P455 HydrophobicContact CD1-CB 4.26Å; L417-P455 HydrophobicContact CD2-CB 4.03Å; L417-P455 VanDerWaalsContact CD2-O 3.26Å; L417-P455 WeakPolarHBondContact CD2-O 3.26Å; L417-P455 HydrophobicContact CG-CB 3.79Å; F453-P455 HydrophobicContact CD1-CG 4.11Å; F453-P455 HydrophobicContact CE1-CB 4.13Å; F453-P455 HydrophobicContact CE1-CG 3.75Å; P455-L457 PolarHBondContact O-N 3.03Å; P455-Y458 PolarHBondContact O-N 2.85Å |
| 456 | L | 74.4 | Confident | 65.3 | Low | 54 Ų | 54 | 62.1 Ų | 62.1 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -69.3 | -19.7 | -176.9 | -52.4 | -162.4 | 0 | 0 | 0 | 113.1 | K416 E420 D454 Y458 T459 | K416-L456 HydrophobicContact CB-CD2 3.74Å; K416-L456 HydrophobicContact CD-CD2 3.73Å; K416-L456 HydrophobicContact CD-CG 4.48Å; K416-L456 HydrophobicContact CG-CD2 3.87Å; E420-L456 VanDerWaalsContact OE1-CD2 3.23Å; E420-L456 WeakPolarHBondContact OE1-CD2 3.35Å; E420-L456 WeakPolarHBondContact OE2-CD2 3.26Å; D454-L456 PolarHBondContact O-N 2.98Å; D454-L456 VanDerWaalsContact O-N 3.08Å; D454-L456 WeakPolarHBondContact OD1-CG 3.45Å; D454-L456 PolarHBondContact OD1-N 2.93Å; L456-Y458 PolarHBondContact O-N 3.09Å; L456-Y458 VanDerWaalsContact O-N 3.17Å; L456-T459 PolarHBondContact O-OG1 2.89Å; L456-T459 VanDerWaalsContact O-OG1 3.05Å |
| 457 | L | 75.3 | Confident | 68.5 | Low | 129 Ų | 129 | 57.1 Ų | 57.1 | 68% | 0.675 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -69.8 | -7.2 | 175.5 | -63.7 | 174 | 0 | 0 | 0 | 113.6 | D454 P455 | D454-L457 HydrophobicContact CB-CD1 4.42Å; D454-L457 HydrophobicContact CB-CG 4.4Å; D454-L457 PolarHBondContact O-N 2.62Å; P455-L457 PolarHBondContact O-N 3.03Å |
| 458 | Y | 76.9 | Confident | 71.6 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -107.6 | -4.2 | -176.5 | -67.4 | -92.6 | 0 | 0 | 0 | 114.2 | F453 P455 L456 L460 S464 V465 V467 Y551 T553 | F453-Y458 AromaticContact CD2-CE2 3.96Å; F453-Y458 HydrophobicContact CD2-CE2 3.96Å; F453-Y458 HydrophobicContact CE2-CD2 4.15Å; F453-Y458 AromaticContact CE2-CE2 3.27Å; F453-Y458 HydrophobicContact CE2-CE2 3.27Å; F453-Y458 AromaticContact CE2-CZ 3.65Å; F453-Y458 WeakPolarHBondContact CE2-OH 3.49Å; F453-Y458 HydrophobicContact CZ-CD2 4.34Å; F453-Y458 AromaticContact CZ-CE2 3.88Å; F453-Y458 HydrophobicContact CZ-CE2 3.88Å; P455-Y458 PolarHBondContact O-N 2.85Å; L456-Y458 PolarHBondContact O-N 3.09Å; L456-Y458 VanDerWaalsContact O-N 3.17Å; Y458-L460 PolarHBondContact O-N 2.92Å; Y458-S464 VanDerWaalsContact CD1-O 3.25Å; Y458-S464 WeakPolarHBondContact CD1-O 3.39Å; Y458-S464 CarbonylContact O-C 3.35Å; Y458-S464 WeakPolarHBondContact O-CB 3.25Å; Y458-V465 WeakPolarHBondContact O-CG2 3.42Å; Y458-V465 PolarHBondContact O-N 3.1Å; Y458-V465 VanDerWaalsContact O-N 3.16Å; Y458-V467 HydrophobicContact CD1-CB 4.36Å; Y458-V467 HydrophobicContact CD1-CG1 4.42Å; Y458-V467 HydrophobicContact CE1-CB 4.22Å; Y458-V467 HydrophobicContact CE1-CG1 3.8Å; Y458-Y551 PolarHBondContact OH-O 3.11Å; Y458-T553 HydrophobicContact CD1-CG2 3.72Å; Y458-T553 HydrophobicContact CE1-CG2 3.61Å |
| 459 | T | 74.3 | Confident | 74.6 | Confident | 27 Ų | 27 | 49.9 Ų | 49.9 | 17% | 0.166 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -3.1 | -174.3 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | E420 L456 T461 | E420-T459 HydrophobicContact CB-CG2 3.94Å; L456-T459 PolarHBondContact O-OG1 2.89Å; L456-T459 VanDerWaalsContact O-OG1 3.05Å; T459-T461 PolarHBondContact O-N 2.85Å |
| 460 | L | 73.6 | Confident | 77.4 | Confident | 149 Ų | 149 | 43.1 Ų | 43.1 | 78% | 0.78 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -38.2 | -178.4 | -75.1 | 156 | 0 | 0 | 0 | 114.6 | Y458 | Y458-L460 PolarHBondContact O-N 2.92Š|
| 461 | T | 82.1 | Confident | 79.9 | Confident | 59 Ų | 59 | 40.1 Ų | 40.1 | 36% | 0.362 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -145.8 | 157.4 | 179.8 | 71.9 | 0 | 0 | 0 | 0 | 110.9 | T459 D463 S464 V465 | T459-T461 PolarHBondContact O-N 2.85Å; T461-D463 VanDerWaalsContact C-N 3.28Å; T461-D463 PolarHBondContact O-N 2.92Å; T461-S464 WeakPolarHBondContact O-CB 3.33Å; T461-S464 PolarHBondContact O-N 3.11Å; T461-S464 WeakPolarHBondContact OG1-CB 3.48Å; T461-S464 PolarHBondContact OG1-N 3.25Å; T461-S464 VanDerWaalsContact OG1-N 3.07Å; T461-S464 PolarHBondContact OG1-OG 3.35Å; T461-V465 PolarHBondContact O-N 2.75Å |
| 462 | K | 83.9 | Confident | 82.4 | Confident | 75 Ų | 75 | 36.4 Ų | 36.4 | 33% | 0.326 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.6 | -40.7 | 177.4 | -169.3 | 165.8 | -175.4 | 164.7 | 0 | 112.2 | N284 E288 F421 S464 V465 D466 | N284-K462 VanDerWaalsContact CG-CE 3.46Å; N284-K462 WeakPolarHBondContact OD1-CE 3.49Å; N284-K462 PolarHBondContact OD1-NZ 2.56Å; N284-K462 VanDerWaalsContact OD1-NZ 3.17Å; E288-K462 IonicContact OE2-NZ 2.77Å; E288-K462 PolarHBondContact OE2-NZ 3.16Å; F421-K462 HydrophobicContact CE1-CG 4.48Å; F421-K462 HydrophobicContact CE2-CB 4.05Å; F421-K462 HydrophobicContact CZ-CB 3.73Å; F421-K462 HydrophobicContact CZ-CD 4.37Å; F421-K462 HydrophobicContact CZ-CG 4.11Å; K462-S464 PolarHBondContact O-N 3.06Å; K462-V465 WeakPolarHBondContact O-CB 3.41Å; K462-V465 PolarHBondContact O-N 3.1Å; K462-D466 PolarHBondContact O-N 2.94Å |
| 463 | D | 89 | Confident | 84.2 | Confident | 49 Ų | 49 | 31 Ų | 31 | 26% | 0.262 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.7 | -37.7 | 174.5 | -78 | -29.4 | 0 | 0 | 0 | 113 | T461 D466 V467 K559 Y561 W562 | T461-D463 VanDerWaalsContact C-N 3.28Å; T461-D463 PolarHBondContact O-N 2.92Å; D463-D466 PolarHBondContact O-N 3.33Å; D463-V467 PolarHBondContact O-N 3.23Å; D463-K559 HydrophobicContact CB-CD 4.34Å; D463-K559 HydrophobicContact CB-CG 3.9Å; D463-K559 WeakPolarHBondContact OD1-CE 3.11Å; D463-K559 IonicContact OD1-NZ 3.61Å; D463-K559 PolarHBondContact OD1-NZ 3.48Å; D463-Y561 VanDerWaalsContact CB-OH 3.24Å; D463-Y561 WeakPolarHBondContact CB-OH 3.44Å; D463-W562 HydrophobicContact CB-CH2 4.15Å |
| 464 | S | 88.8 | Confident | 85.4 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 6% | 0.056 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65 | -42.9 | 173.3 | -59.3 | 0 | 0 | 0 | 0 | 110.9 | Y458 T461 K462 D466 V467 G468 | Y458-S464 VanDerWaalsContact CD1-O 3.25Å; Y458-S464 WeakPolarHBondContact CD1-O 3.39Å; Y458-S464 CarbonylContact O-C 3.35Å; Y458-S464 WeakPolarHBondContact O-CB 3.25Å; T461-S464 WeakPolarHBondContact O-CB 3.33Å; T461-S464 PolarHBondContact O-N 3.11Å; T461-S464 WeakPolarHBondContact OG1-CB 3.48Å; T461-S464 PolarHBondContact OG1-N 3.25Å; T461-S464 VanDerWaalsContact OG1-N 3.07Å; T461-S464 PolarHBondContact OG1-OG 3.35Å; K462-S464 PolarHBondContact O-N 3.06Å; S464-D466 VanDerWaalsContact C-N 3.31Å; S464-D466 PolarHBondContact O-N 2.9Å; S464-V467 PolarHBondContact O-N 2.89Å; S464-V467 VanDerWaalsContact O-N 3.13Å; S464-G468 PolarHBondContact O-N 2.78Å |
| 465 | V | 90.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.8 | -43.7 | 174.1 | 170.2 | 0 | 0 | 0 | 0 | 111 | L417 F421 Y458 T461 K462 V467 G468 I469 | L417-V465 HydrophobicContact CB-CG1 4.34Å; F421-V465 HydrophobicContact CB-CG2 4.12Å; F421-V465 HydrophobicContact CD2-CG2 3.88Å; F421-V465 HydrophobicContact CG-CG2 4.1Å; Y458-V465 WeakPolarHBondContact O-CG2 3.42Å; Y458-V465 PolarHBondContact O-N 3.1Å; Y458-V465 VanDerWaalsContact O-N 3.16Å; T461-V465 PolarHBondContact O-N 2.75Å; K462-V465 WeakPolarHBondContact O-CB 3.41Å; K462-V465 PolarHBondContact O-N 3.1Å; V465-V467 VanDerWaalsContact C-N 3.34Å; V465-V467 PolarHBondContact O-N 2.95Å; V465-G468 CarbonylContact O-C 3.51Å; V465-G468 PolarHBondContact O-N 2.99Å; V465-G468 VanDerWaalsContact O-N 3.09Å; V465-I469 HydrophobicContact CG1-CD1 3.88Å; V465-I469 HydrophobicContact CG1-CG1 4.34Å; V465-I469 VanDerWaalsContact O-CG1 3.31Å; V465-I469 WeakPolarHBondContact O-CG1 3.38Å; V465-I469 PolarHBondContact O-N 2.82Å |
| 466 | D | 92.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.4 | -30.4 | 176.5 | -80.4 | -8.1 | 0 | 0 | 0 | 113.6 | P282 V283 N284 K462 D463 S464 R470 | P282-D466 WeakPolarHBondContact CA-OD2 3.38Å; V283-D466 HydrophobicContact CB-CB 3.95Å; V283-D466 HydrophobicContact CG2-CB 4.13Å; V283-D466 VanDerWaalsContact N-CG 3.3Å; V283-D466 PolarHBondContact N-OD1 2.93Å; V283-D466 PolarHBondContact N-OD2 3.43Å; N284-D466 WeakPolarHBondContact CB-OD1 3.4Å; N284-D466 PolarHBondContact N-OD1 3.04Å; K462-D466 PolarHBondContact O-N 2.94Å; D463-D466 PolarHBondContact O-N 3.33Å; S464-D466 VanDerWaalsContact C-N 3.31Å; S464-D466 PolarHBondContact O-N 2.9Å; D466-R470 WeakPolarHBondContact O-CG 3.35Å; D466-R470 PolarHBondContact O-N 2.85Å; D466-R470 PolarHBondContact O-NE 2.91Å |
| 467 | V | 92.6 | Very high | 88 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.4 | -46.5 | 166.8 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | L276 Y458 D463 S464 V465 I469 R470 V471 T553 I556 W562 | L276-V467 HydrophobicContact CD1-CG1 4Å; Y458-V467 HydrophobicContact CD1-CB 4.36Å; Y458-V467 HydrophobicContact CD1-CG1 4.42Å; Y458-V467 HydrophobicContact CE1-CB 4.22Å; Y458-V467 HydrophobicContact CE1-CG1 3.8Å; D463-V467 PolarHBondContact O-N 3.23Å; S464-V467 PolarHBondContact O-N 2.89Å; S464-V467 VanDerWaalsContact O-N 3.13Å; V465-V467 VanDerWaalsContact C-N 3.34Å; V465-V467 PolarHBondContact O-N 2.95Å; V467-I469 VanDerWaalsContact C-N 3.3Å; V467-I469 PolarHBondContact O-N 2.91Å; V467-R470 PolarHBondContact O-N 3.44Å; V467-R470 VanDerWaalsContact O-N 3.11Å; V467-V471 HydrophobicContact CG1-CG2 4.12Å; V467-V471 WeakPolarHBondContact O-CG2 3.41Å; V467-V471 PolarHBondContact O-N 3.3Å; V467-T553 HydrophobicContact CB-CG2 4.33Å; V467-T553 HydrophobicContact CG1-CG2 4.21Å; V467-I556 HydrophobicContact CG1-CD1 4.07Å; V467-I556 HydrophobicContact CG1-CG1 4.37Å; V467-W562 HydrophobicContact CG2-CH2 3.69Å; V467-W562 HydrophobicContact CG2-CZ3 3.79Å |
| 468 | G | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.4 | -35.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S464 V465 S472 | S464-G468 PolarHBondContact O-N 2.78Å; V465-G468 CarbonylContact O-C 3.51Å; V465-G468 PolarHBondContact O-N 2.99Å; V465-G468 VanDerWaalsContact O-N 3.09Å; G468-S472 WeakPolarHBondContact O-CB 3.34Å; G468-S472 PolarHBondContact O-N 3.47Å; G468-S472 PolarHBondContact O-OG 2.89Å |
| 469 | I | 94 | Very high | 89.2 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65 | -48.8 | 172.4 | -68.7 | 170 | 0 | 0 | 0 | 110.3 | V283 N284 F287 L328 L414 L417 L418 V465 V467 V471 S472 M473 | V283-I469 HydrophobicContact CG1-CG2 4.32Å; N284-I469 HydrophobicContact CB-CD1 3.83Å; F287-I469 HydrophobicContact CE2-CG2 3.96Å; F287-I469 HydrophobicContact CZ-CG2 4.42Å; L328-I469 HydrophobicContact CD2-CG2 3.47Å; L328-I469 VanDerWaalsContact CD2-CG2 3.47Å; L414-I469 HydrophobicContact CD2-CB 4.3Å; L414-I469 HydrophobicContact CD2-CG1 3.94Å; L414-I469 HydrophobicContact CD2-CG2 3.94Å; L417-I469 HydrophobicContact CD1-CG1 4.06Å; L418-I469 HydrophobicContact CD2-CD1 4.24Å; V465-I469 HydrophobicContact CG1-CD1 3.88Å; V465-I469 HydrophobicContact CG1-CG1 4.34Å; V465-I469 VanDerWaalsContact O-CG1 3.31Å; V465-I469 WeakPolarHBondContact O-CG1 3.38Å; V465-I469 PolarHBondContact O-N 2.82Å; V467-I469 VanDerWaalsContact C-N 3.3Å; V467-I469 PolarHBondContact O-N 2.91Å; I469-V471 PolarHBondContact O-N 2.75Å; I469-S472 WeakPolarHBondContact O-CB 3.45Å; I469-S472 PolarHBondContact O-N 3.37Å; I469-M473 PolarHBondContact O-N 3.27Å |
| 470 | R | 94.3 | Very high | 89.6 | Confident | 8 Ų | 8 | 25.7 Ų | 25.7 | 3% | 0.03 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 177.1 | -75.4 | 178.6 | -75.9 | 176.8 | -0.2 | 112 | L276 P277 V283 D466 V467 S472 M473 I474 D558 | L276-R470 HydrophobicContact CD1-CB 4.15Å; P277-R470 PolarHBondContact O-NH1 3.39Å; V283-R470 HydrophobicContact CG1-CG 4.39Å; D466-R470 WeakPolarHBondContact O-CG 3.35Å; D466-R470 PolarHBondContact O-N 2.85Å; D466-R470 PolarHBondContact O-NE 2.91Å; V467-R470 PolarHBondContact O-N 3.44Å; V467-R470 VanDerWaalsContact O-N 3.11Å; R470-S472 VanDerWaalsContact C-N 3.32Å; R470-S472 PolarHBondContact O-N 3.13Å; R470-M473 PolarHBondContact O-N 3.2Å; R470-I474 WeakPolarHBondContact O-CD1 3.42Å; R470-I474 VanDerWaalsContact O-CG1 3.26Å; R470-I474 WeakPolarHBondContact O-CG1 3.34Å; R470-I474 PolarHBondContact O-N 2.84Å; R470-D558 IonicContact CZ-OD1 2.95Å; R470-D558 IonicContact CZ-OD2 2.78Å; R470-D558 IonicContact NH1-OD1 2.76Å; R470-D558 PolarHBondContact NH1-OD1 3.17Å; R470-D558 IonicContact NH1-OD2 2.73Å; R470-D558 PolarHBondContact NH1-OD2 3.48Å; R470-D558 IonicContact NH2-OD1 2.69Å; R470-D558 PolarHBondContact NH2-OD1 2.92Å; R470-D558 IonicContact NH2-OD2 3.48Å; R470-D558 PolarHBondContact NH2-OD2 3.39Å |
| 471 | V | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.4 | -40 | 175 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | F453 V467 I469 M473 I474 L475 I546 Y551 I556 | F453-V471 HydrophobicContact CD2-CB 4.46Å; F453-V471 HydrophobicContact CD2-CG1 3.56Å; F453-V471 HydrophobicContact CE2-CB 3.66Å; F453-V471 HydrophobicContact CE2-CG1 3.24Å; F453-V471 HydrophobicContact CZ-CB 4.12Å; F453-V471 HydrophobicContact CZ-CG1 3.99Å; V467-V471 HydrophobicContact CG1-CG2 4.12Å; V467-V471 WeakPolarHBondContact O-CG2 3.41Å; V467-V471 PolarHBondContact O-N 3.3Å; I469-V471 PolarHBondContact O-N 2.75Å; V471-M473 PolarHBondContact O-N 2.68Å; V471-I474 PolarHBondContact O-N 3.17Å; V471-L475 HydrophobicContact CG1-CD1 3.91Å; V471-L475 HydrophobicContact CG1-CG 4.21Å; V471-L475 WeakPolarHBondContact O-CB 3.32Å; V471-L475 VanDerWaalsContact O-CG 3.3Å; V471-L475 WeakPolarHBondContact O-CG 3.27Å; V471-L475 PolarHBondContact O-N 3.1Å; V471-I546 HydrophobicContact CG1-CG2 4.04Å; V471-I546 HydrophobicContact CG2-CD1 4.09Å; V471-I546 HydrophobicContact CG2-CG1 4.47Å; V471-Y551 HydrophobicContact CG1-CD1 3.99Å; V471-Y551 HydrophobicContact CG1-CE1 4.19Å; V471-I556 HydrophobicContact CG2-CD1 3.55Å |
| 472 | S | 92.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.014 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.2 | -40 | 176.3 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | F453 G468 I469 R470 F476 | F453-S472 WeakPolarHBondContact CE1-OG 3.44Å; G468-S472 WeakPolarHBondContact O-CB 3.34Å; G468-S472 PolarHBondContact O-N 3.47Å; G468-S472 PolarHBondContact O-OG 2.89Å; I469-S472 WeakPolarHBondContact O-CB 3.45Å; I469-S472 PolarHBondContact O-N 3.37Å; R470-S472 VanDerWaalsContact C-N 3.32Å; R470-S472 PolarHBondContact O-N 3.13Å; S472-F476 WeakPolarHBondContact O-CB 3.18Å; S472-F476 PolarHBondContact O-N 3.5Å |
| 473 | M | 94 | Very high | 91 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.5 | -45.2 | 173.9 | -71.4 | -60.4 | -66.9 | 0 | 0 | 112.1 | I299 L328 L410 I469 R470 V471 L475 F476 F477 | I299-M473 HydrophobicContact CG2-CE 3.85Å; L328-M473 HydrophobicContact CD2-CG 3.98Å; L328-M473 VanDerWaalsContact O-CE 3.25Å; L328-M473 WeakPolarHBondContact O-CE 3.15Å; L410-M473 HydrophobicContact CD1-SD 4.34Å; L410-M473 HydrophobicContact CD2-SD 3.8Å; I469-M473 PolarHBondContact O-N 3.27Å; R470-M473 PolarHBondContact O-N 3.2Å; V471-M473 PolarHBondContact O-N 2.68Å; M473-L475 PolarHBondContact O-N 3.1Å; M473-F476 WeakPolarHBondContact O-CB 3.36Å; M473-F476 PolarHBondContact O-N 3.2Å; M473-F477 HydrophobicContact CB-CE2 4.37Å; M473-F477 HydrophobicContact CE-CE2 4.02Å; M473-F477 HydrophobicContact CE-CZ 3.99Å; M473-F477 WeakPolarHBondContact O-CD2 3.3Å; M473-F477 PolarHBondContact O-N 3.38Å |
| 474 | I | 93.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 10.6 Ų | 10.6 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -60.8 | -44.7 | 178 | -63.9 | 156 | 0 | 0 | 0 | 111.1 | L276 Y330 R470 V471 F476 F477 N478 Y543 I546 | L276-I474 HydrophobicContact CD2-CD1 4.13Å; Y330-I474 HydrophobicContact CD1-CD1 3.57Å; Y330-I474 HydrophobicContact CD1-CG1 3.6Å; Y330-I474 HydrophobicContact CE1-CD1 3.38Å; Y330-I474 HydrophobicContact CE1-CG1 3.79Å; R470-I474 WeakPolarHBondContact O-CD1 3.42Å; R470-I474 VanDerWaalsContact O-CG1 3.26Å; R470-I474 WeakPolarHBondContact O-CG1 3.34Å; R470-I474 PolarHBondContact O-N 2.84Å; V471-I474 PolarHBondContact O-N 3.17Å; I474-F476 VanDerWaalsContact C-N 3.34Å; I474-F476 PolarHBondContact O-N 3.33Å; I474-F477 PolarHBondContact O-N 3.34Å; I474-N478 WeakPolarHBondContact O-CB 3.46Å; I474-N478 PolarHBondContact O-N 3.35Å; I474-Y543 HydrophobicContact CG2-CD2 3.72Å; I474-Y543 HydrophobicContact CG2-CE2 3.88Å; I474-I546 HydrophobicContact CB-CG2 4.17Å; I474-I546 HydrophobicContact CD1-CD1 3.54Å; I474-I546 HydrophobicContact CD1-CG2 4.38Å; I474-I546 HydrophobicContact CG2-CB 4.37Å; I474-I546 HydrophobicContact CG2-CG2 3.63Å |
| 475 | L | 91.3 | Very high | 90.5 | Very high | 16 Ų | 16 | 11.4 Ų | 11.4 | 8% | 0.084 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.2 | -38 | 176.7 | -70.3 | 174.8 | 0 | 0 | 0 | 111.9 | F453 V471 M473 N478 T479 Y551 | F453-L475 HydrophobicContact CB-CD1 3.78Å; F453-L475 HydrophobicContact CD1-CD1 3.89Å; F453-L475 HydrophobicContact CD2-CD1 4Å; F453-L475 HydrophobicContact CE1-CD1 4.46Å; F453-L475 HydrophobicContact CG-CD1 3.62Å; V471-L475 HydrophobicContact CG1-CD1 3.91Å; V471-L475 HydrophobicContact CG1-CG 4.21Å; V471-L475 WeakPolarHBondContact O-CB 3.32Å; V471-L475 VanDerWaalsContact O-CG 3.3Å; V471-L475 WeakPolarHBondContact O-CG 3.27Å; V471-L475 PolarHBondContact O-N 3.1Å; M473-L475 PolarHBondContact O-N 3.1Å; L475-N478 PolarHBondContact O-N 2.7Å; L475-T479 WeakPolarHBondContact O-CG2 3.46Å; L475-T479 PolarHBondContact O-N 2.66Å; L475-Y551 HydrophobicContact CD2-CE1 4.34Å |
| 476 | F | 91.7 | Very high | 90.3 | Very high | 7 Ų | 7 | 11.6 Ų | 11.6 | 3% | 0.031 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.4 | -48.7 | 172.7 | 163.2 | -95.8 | 0 | 0 | 0 | 111.9 | F296 L402 E406 L410 S472 M473 I474 N478 T479 I482 | F296-F476 HydrophobicContact CZ-CE2 4.4Å; F296-F476 HydrophobicContact CZ-CZ 4.36Å; L402-F476 HydrophobicContact CD2-CE1 4.49Å; L402-F476 HydrophobicContact CD2-CE2 3.97Å; L402-F476 HydrophobicContact CD2-CZ 3.49Å; L402-F476 VanDerWaalsContact CD2-CZ 3.49Å; E406-F476 HydrophobicContact CB-CD2 4.19Å; E406-F476 HydrophobicContact CB-CE2 4.12Å; L410-F476 HydrophobicContact CB-CD2 4.42Å; L410-F476 HydrophobicContact CD1-CB 4.5Å; L410-F476 HydrophobicContact CD2-CB 3.94Å; L410-F476 HydrophobicContact CD2-CD1 4.29Å; L410-F476 HydrophobicContact CD2-CD2 4.01Å; L410-F476 HydrophobicContact CD2-CG 3.8Å; S472-F476 WeakPolarHBondContact O-CB 3.18Å; S472-F476 PolarHBondContact O-N 3.5Å; M473-F476 WeakPolarHBondContact O-CB 3.36Å; M473-F476 PolarHBondContact O-N 3.2Å; I474-F476 VanDerWaalsContact C-N 3.34Å; I474-F476 PolarHBondContact O-N 3.33Å; F476-N478 VanDerWaalsContact C-N 3.29Å; F476-N478 PolarHBondContact O-N 2.81Å; F476-T479 WeakPolarHBondContact O-CB 3.43Å; F476-T479 WeakPolarHBondContact O-CG2 3.09Å; F476-T479 PolarHBondContact O-N 2.86Å; F476-T479 VanDerWaalsContact O-N 3.17Å; F476-T479 PolarHBondContact O-OG1 2.82Å; F476-I482 HydrophobicContact CD2-CG1 4.32Å; F476-I482 HydrophobicContact CE1-CD1 4.41Å; F476-I482 HydrophobicContact CE1-CG1 4.32Å; F476-I482 HydrophobicContact CE1-CG2 4.08Å; F476-I482 HydrophobicContact CE2-CD1 3.79Å; F476-I482 HydrophobicContact CE2-CG1 3.74Å; F476-I482 HydrophobicContact CZ-CD1 3.54Å; F476-I482 HydrophobicContact CZ-CG1 3.73Å; F476-I482 HydrophobicContact CZ-CG2 4.24Å |
| 477 | F | 91.7 | Very high | 89.8 | Confident | 5 Ų | 5 | 12.8 Ų | 12.8 | 2% | 0.022 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.6 | -38.7 | 176.4 | -68.4 | -59.9 | 0 | 0 | 0 | 112.1 | L303 L329 L332 M473 I474 T479 I482 L483 G484 | L303-F477 HydrophobicContact CD1-CE1 3.81Å; L303-F477 HydrophobicContact CD1-CZ 4Å; L303-F477 HydrophobicContact CD2-CE1 3.73Å; L303-F477 HydrophobicContact CD2-CZ 3.8Å; L303-F477 HydrophobicContact CG-CE1 4.46Å; L329-F477 WeakPolarHBondContact O-CE2 3.44Å; L332-F477 HydrophobicContact CD1-CD1 4.26Å; L332-F477 HydrophobicContact CD1-CE1 3.85Å; L332-F477 HydrophobicContact CD1-CZ 4.21Å; M473-F477 HydrophobicContact CB-CE2 4.37Å; M473-F477 HydrophobicContact CE-CE2 4.02Å; M473-F477 HydrophobicContact CE-CZ 3.99Å; M473-F477 WeakPolarHBondContact O-CD2 3.3Å; M473-F477 PolarHBondContact O-N 3.38Å; I474-F477 PolarHBondContact O-N 3.34Å; F477-T479 PolarHBondContact O-N 2.79Å; F477-T479 VanDerWaalsContact O-N 3.15Å; F477-I482 HydrophobicContact CD1-CG2 4.07Å; F477-L483 HydrophobicContact CD1-CD1 4.32Å; F477-L483 CarbonylContact O-C 3.53Å; F477-L483 VanDerWaalsContact O-CA 3.32Å; F477-L483 WeakPolarHBondContact O-CA 3.41Å; F477-L483 WeakPolarHBondContact O-CB 3.46Å; F477-L483 PolarHBondContact O-N 3.22Å; F477-G484 PolarHBondContact O-N 2.92Å |
| 478 | N | 88.9 | Confident | 88.9 | Confident | 47 Ų | 47 | 14.7 Ų | 14.7 | 25% | 0.251 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 0.4 | 179.9 | -158.4 | 41.1 | 0 | 0 | 0 | 114.4 | I474 L475 F476 G484 | I474-N478 WeakPolarHBondContact O-CB 3.46Å; I474-N478 PolarHBondContact O-N 3.35Å; L475-N478 PolarHBondContact O-N 2.7Å; F476-N478 VanDerWaalsContact C-N 3.29Å; F476-N478 PolarHBondContact O-N 2.81Å; N478-G484 WeakPolarHBondContact O-CA 3.48Å |
| 479 | T | 88.8 | Confident | 88.4 | Confident | 22 Ų | 22 | 14.9 Ų | 14.9 | 14% | 0.135 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -73.4 | 147 | 177 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | E406 L475 F476 F477 N481 I482 L483 G484 | E406-T479 HydrophobicContact CG-CG2 4.07Å; L475-T479 WeakPolarHBondContact O-CG2 3.46Å; L475-T479 PolarHBondContact O-N 2.66Å; F476-T479 WeakPolarHBondContact O-CB 3.43Å; F476-T479 WeakPolarHBondContact O-CG2 3.09Å; F476-T479 PolarHBondContact O-N 2.86Å; F476-T479 VanDerWaalsContact O-N 3.17Å; F476-T479 PolarHBondContact O-OG1 2.82Å; F477-T479 PolarHBondContact O-N 2.79Å; F477-T479 VanDerWaalsContact O-N 3.15Å; T479-N481 PolarHBondContact O-N 2.83Å; T479-N481 VanDerWaalsContact O-N 3.08Å; T479-I482 PolarHBondContact O-N 2.8Å; T479-I482 WeakPolarHBondContact OG1-CB 3.38Å; T479-I482 WeakPolarHBondContact OG1-CG1 3.25Å; T479-L483 PolarHBondContact O-N 2.75Å; T479-G484 WeakPolarHBondContact O-CA 3.37Å; T479-G484 PolarHBondContact O-N 2.82Å |
| 480 | N | 84.4 | Confident | 87.9 | Confident | 87 Ų | 87 | 15.5 Ų | 15.5 | 47% | 0.465 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -10.1 | -174.9 | -71.1 | -33.7 | 0 | 0 | 0 | 115.7 | R512 P513 | N480-R512 WeakPolarHBondContact O-CD 3.5Å; N480-R512 PolarHBondContact O-NE 2.75Å; N480-R512 PolarHBondContact O-NH1 3.17Å; N480-P513 HydrophobicContact CB-CG 4.26Å; N480-P513 WeakPolarHBondContact O-CD 3.47Å |
| 481 | N | 86 | Confident | 87.1 | Confident | 13 Ų | 13 | 16 Ų | 16 | 7% | 0.07 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -8.4 | 170.6 | -67.1 | -48.2 | 0 | 0 | 0 | 113.5 | P403 E406 T479 P513 K514 T519 | P403-N481 HydrophobicContact CG-CB 4.39Å; E406-N481 PolarHBondContact OE1-ND2 3.32Å; T479-N481 PolarHBondContact O-N 2.83Å; T479-N481 VanDerWaalsContact O-N 3.08Å; N481-P513 WeakPolarHBondContact OD1-CD 3.49Å; N481-K514 PolarHBondContact OD1-N 2.84Å; N481-K514 PolarHBondContact OD1-O 3.18Å; N481-T519 WeakPolarHBondContact O-CB 3.43Å; N481-T519 VanDerWaalsContact O-CG2 3.26Å; N481-T519 WeakPolarHBondContact O-CG2 3.09Å; N481-T519 PolarHBondContact O-OG1 3.35Å |
| 482 | I | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -94.9 | 175.8 | -55.6 | -64.6 | 0 | 0 | 0 | 109.2 | P403 F476 F477 T479 F508 F518 T519 L522 | P403-I482 HydrophobicContact CG-CD1 3.79Å; F476-I482 HydrophobicContact CD2-CG1 4.32Å; F476-I482 HydrophobicContact CE1-CD1 4.41Å; F476-I482 HydrophobicContact CE1-CG1 4.32Å; F476-I482 HydrophobicContact CE1-CG2 4.08Å; F476-I482 HydrophobicContact CE2-CD1 3.79Å; F476-I482 HydrophobicContact CE2-CG1 3.74Å; F476-I482 HydrophobicContact CZ-CD1 3.54Å; F476-I482 HydrophobicContact CZ-CG1 3.73Å; F476-I482 HydrophobicContact CZ-CG2 4.24Å; F477-I482 HydrophobicContact CD1-CG2 4.07Å; T479-I482 PolarHBondContact O-N 2.8Å; T479-I482 WeakPolarHBondContact OG1-CB 3.38Å; T479-I482 WeakPolarHBondContact OG1-CG1 3.25Å; I482-F508 WeakPolarHBondContact O-CZ 3.33Å; I482-F518 HydrophobicContact CD1-CD1 4.21Å; I482-F518 HydrophobicContact CD1-CE1 4.06Å; I482-T519 WeakPolarHBondContact O-CG2 3.34Å; I482-L522 HydrophobicContact CG2-CD2 4.05Å |
| 483 | L | 91.4 | Very high | 86.2 | Confident | 3 Ų | 3 | 16.5 Ų | 16.5 | 2% | 0.016 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124 | 5.3 | -179.7 | -63.2 | 172.5 | 0 | 0 | 0 | 113.6 | L332 F477 T479 G485 F486 F508 L522 V528 | L332-L483 HydrophobicContact CD1-CD1 4.2Å; L332-L483 HydrophobicContact CD2-CD1 4.01Å; F477-L483 HydrophobicContact CD1-CD1 4.32Å; F477-L483 CarbonylContact O-C 3.53Å; F477-L483 VanDerWaalsContact O-CA 3.32Å; F477-L483 WeakPolarHBondContact O-CA 3.41Å; F477-L483 WeakPolarHBondContact O-CB 3.46Å; F477-L483 PolarHBondContact O-N 3.22Å; T479-L483 PolarHBondContact O-N 2.75Å; L483-G485 PolarHBondContact O-N 2.95Å; L483-F486 VanDerWaalsContact O-CB 3.31Å; L483-F486 WeakPolarHBondContact O-CB 3.38Å; L483-F486 VanDerWaalsContact O-CD1 3.28Å; L483-F486 WeakPolarHBondContact O-CD1 3.47Å; L483-F486 PolarHBondContact O-N 2.94Å; L483-F508 HydrophobicContact CD2-CZ 4.08Å; L483-L522 HydrophobicContact CD1-CD2 4.45Å; L483-L522 HydrophobicContact CG-CD2 4.38Å; L483-V528 HydrophobicContact CD1-CG2 3.98Å; L483-V528 HydrophobicContact CD2-CG1 4.15Å; L483-V528 HydrophobicContact CD2-CG2 4.08Å |
| 484 | G | 86.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 125.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | F477 N478 T479 F486 R512 | F477-G484 PolarHBondContact O-N 2.92Å; N478-G484 WeakPolarHBondContact O-CA 3.48Å; T479-G484 WeakPolarHBondContact O-CA 3.37Å; T479-G484 PolarHBondContact O-N 2.82Å; G484-F486 VanDerWaalsContact C-N 3.3Å; G484-F486 PolarHBondContact O-N 3.15Å; G484-R512 VanDerWaalsContact O-CZ 3.31Å; G484-R512 PolarHBondContact O-NH1 2.85Å; G484-R512 PolarHBondContact O-NH2 2.83Å |
| 485 | G | 81.3 | Confident | 85.4 | Confident | 24 Ų | 24 | 16.6 Ų | 16.6 | 25% | 0.247 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 13.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | L483 T487 N488 | L483-G485 PolarHBondContact O-N 2.95Å; G485-T487 PolarHBondContact O-N 3.28Å; G485-T487 VanDerWaalsContact O-N 3.11Å; G485-N488 WeakPolarHBondContact O-CB 2.79Å; G485-N488 PolarHBondContact O-N 3.13Å; G485-N488 PolarHBondContact O-ND2 2.89Å |
| 486 | F | 85.5 | Confident | 85.1 | Confident | 6 Ų | 6 | 16.1 Ų | 16.1 | 3% | 0.026 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -54.8 | -28.4 | 178.7 | 80.1 | -64.7 | 0 | 0 | 0 | 114.1 | L483 G484 N488 H489 I490 F503 F508 F531 A532 | L483-F486 VanDerWaalsContact O-CB 3.31Å; L483-F486 WeakPolarHBondContact O-CB 3.38Å; L483-F486 VanDerWaalsContact O-CD1 3.28Å; L483-F486 WeakPolarHBondContact O-CD1 3.47Å; L483-F486 PolarHBondContact O-N 2.94Å; G484-F486 VanDerWaalsContact C-N 3.3Å; G484-F486 PolarHBondContact O-N 3.15Å; F486-N488 PolarHBondContact O-N 2.74Å; F486-N488 VanDerWaalsContact O-N 3.14Å; F486-H489 WeakPolarHBondContact O-CA 3.47Å; F486-H489 PolarHBondContact O-N 3.36Å; F486-I490 HydrophobicContact CD2-CD1 3.93Å; F486-I490 HydrophobicContact CE2-CD1 3.77Å; F486-F503 HydrophobicContact CB-CE2 4.34Å; F486-F508 HydrophobicContact CB-CD2 3.96Å; F486-F508 HydrophobicContact CB-CE2 3.57Å; F486-F508 HydrophobicContact CB-CZ 4.44Å; F486-F531 HydrophobicContact CD1-CE1 4.23Å; F486-F531 HydrophobicContact CD2-CD1 4.48Å; F486-F531 AromaticContact CE1-CD1 3.98Å; F486-F531 HydrophobicContact CE1-CD1 3.98Å; F486-F531 AromaticContact CE1-CE1 3.34Å; F486-F531 HydrophobicContact CE1-CE1 3.34Å; F486-F531 AromaticContact CE1-CZ 3.86Å; F486-F531 HydrophobicContact CE1-CZ 3.86Å; F486-F531 AromaticContact CE2-CD1 3.61Å; F486-F531 HydrophobicContact CE2-CD1 3.61Å; F486-F531 AromaticContact CE2-CE1 3.88Å; F486-F531 HydrophobicContact CE2-CE1 3.88Å; F486-F531 HydrophobicContact CE2-CG 4.3Å; F486-F531 AromaticContact CZ-CD1 3.33Å; F486-F531 HydrophobicContact CZ-CD1 3.33Å; F486-F531 AromaticContact CZ-CE1 3.13Å; F486-F531 HydrophobicContact CZ-CE1 3.13Å; F486-F531 HydrophobicContact CZ-CE2 4.35Å; F486-F531 HydrophobicContact CZ-CG 4.05Å; F486-F531 AromaticContact CZ-CZ 3.69Å; F486-F531 HydrophobicContact CZ-CZ 3.69Å; F486-A532 HydrophobicContact CE2-CB 4.35Å |
| 487 | T | 80.4 | Confident | 84.6 | Confident | 26 Ų | 26 | 19.5 Ų | 19.5 | 16% | 0.16 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -57.2 | -21 | 174.6 | 42.2 | 0 | 0 | 0 | 0 | 114.9 | G485 H489 H964 | G485-T487 PolarHBondContact O-N 3.28Å; G485-T487 VanDerWaalsContact O-N 3.11Å; T487-H489 VanDerWaalsContact C-N 3.29Å; T487-H964 PolarHBondContact OG1-CD2 3.16Å; T487-H964 VanDerWaalsContact OG1-CD2 3.23Å; T487-H964 PolarHBondContact OG1-NE2 2.94Å |
| 488 | N | 75.7 | Confident | 83.9 | Confident | 39 Ų | 39 | 23.9 Ų | 23.9 | 21% | 0.209 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -75.5 | -20 | 173.2 | -61.5 | -64.6 | 0 | 0 | 0 | 112.7 | G485 F486 R491 H964 | G485-N488 WeakPolarHBondContact O-CB 2.79Å; G485-N488 PolarHBondContact O-N 3.13Å; G485-N488 PolarHBondContact O-ND2 2.89Å; F486-N488 PolarHBondContact O-N 2.74Å; F486-N488 VanDerWaalsContact O-N 3.14Å; N488-R491 PolarHBondContact O-NH1 2.93Å; N488-H964 PolarHBondContact OD1-CD2 2.96Å |
| 489 | H | 81 | Confident | 83.6 | Confident | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.019 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -105.3 | 24.7 | -177.6 | -52.6 | -84.9 | 0 | 0 | 0 | 111.8 | F486 T487 F503 Q504 S507 F508 S511 V958 | F486-H489 WeakPolarHBondContact O-CA 3.47Å; F486-H489 PolarHBondContact O-N 3.36Å; T487-H489 VanDerWaalsContact C-N 3.29Å; H489-F503 HydrophobicContact CB-CE2 4.23Å; H489-F503 WeakPolarHBondContact O-CD2 3.33Å; H489-Q504 HydrophobicContact CB-CB 4.43Å; H489-Q504 WeakPolarHBondContact O-CB 3.33Å; H489-Q504 PolarHBondContact O-N 3.48Å; H489-S507 PolarHBondContact CE1-O 3.14Å; H489-S507 VanDerWaalsContact CE1-O 3.26Å; H489-S507 VanDerWaalsContact ND1-C 3.26Å; H489-S507 PolarHBondContact ND1-O 2.93Å; H489-S507 PolarHBondContact ND1-OG 2.86Å; H489-F508 HydrophobicContact CB-CB 3.85Å; H489-F508 HydrophobicContact CB-CD2 4.49Å; H489-F508 AromaticContact CD2-CD2 3.74Å; H489-F508 PolarHBondContact ND1-N 2.79Å; H489-S511 PolarHBondContact NE2-OG 3.22Å; H489-V958 WeakPolarHBondContact CE1-CG1 3.43Å |
| 490 | I | 82.2 | Confident | 83.4 | Confident | 13 Ų | 13 | 22.6 Ų | 22.6 | 7% | 0.067 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 146.4 | 178.4 | -81 | 178.9 | 0 | 0 | 0 | 108.8 | F486 V501 F503 A532 S535 T961 | F486-I490 HydrophobicContact CD2-CD1 3.93Å; F486-I490 HydrophobicContact CE2-CD1 3.77Å; I490-V501 HydrophobicContact CB-CG1 4.22Å; I490-V501 HydrophobicContact CD1-CG1 4.32Å; I490-V501 HydrophobicContact CG1-CG1 3.93Å; I490-V501 HydrophobicContact CG2-CG1 3.69Å; I490-V501 HydrophobicContact CG2-CG2 4.17Å; I490-F503 HydrophobicContact CG1-CD2 4.1Å; I490-A532 HydrophobicContact CD1-CB 3.5Å; I490-A532 HydrophobicContact CG1-CB 4.1Å; I490-S535 WeakPolarHBondContact CD1-OG 3.32Å; I490-T961 WeakPolarHBondContact O-CG2 3.49Å |
| 491 | R | 77.5 | Confident | 83.4 | Confident | 18 Ų | 18 | 18.9 Ų | 18.9 | 7% | 0.068 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 131.8 | 167.9 | -65.5 | -64.5 | -173.5 | -78.5 | -5.1 | 109.8 | N488 L493 V501 A502 Q504 L1571 D1572 | N488-R491 PolarHBondContact O-NH1 2.93Å; R491-L493 PolarHBondContact O-N 3.24Å; R491-V501 WeakPolarHBondContact O-CA 3.37Å; R491-A502 HydrophobicContact CB-CB 4.44Å; R491-A502 PolarHBondContact N-O 2.98Å; R491-A502 PolarHBondContact O-N 3.46Å; R491-Q504 VanDerWaalsContact CZ-OE1 3.24Å; R491-L1571 HydrophobicContact CB-CB 4.08Å; R491-L1571 HydrophobicContact CB-CD1 4.49Å; R491-L1571 HydrophobicContact CB-CD2 4.24Å; R491-L1571 HydrophobicContact CG-CB 4.04Å; R491-D1572 IonicContact CZ-OD1 3.18Å; R491-D1572 VanDerWaalsContact CZ-OD1 3.26Å; R491-D1572 IonicContact NE-OD1 2.76Å; R491-D1572 PolarHBondContact NE-OD1 2.75Å; R491-D1572 IonicContact NH2-OD1 2.66Å; R491-D1572 PolarHBondContact NH2-OD1 3.23Å |
| 492 | T | 82.4 | Confident | 83.3 | Confident | 11 Ų | 11 | 18.6 Ų | 18.6 | 7% | 0.067 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 110.6 | 170.4 | -49 | 0 | 0 | 0 | 0 | 108.5 | L495 I536 R1578 | T492-L495 HydrophobicContact CG2-CD2 3.66Å; T492-L495 HydrophobicContact CG2-CG 3.85Å; T492-I536 HydrophobicContact CG2-CD1 3.99Å; T492-R1578 PolarHBondContact O-NH1 2.88Å |
| 493 | L | 85.6 | Confident | 83 | Confident | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -37.4 | 171.9 | 178.6 | 58.2 | 0 | 0 | 0 | 110.8 | R491 V500 F1570 L1571 R1578 L1613 K1644 | R491-L493 PolarHBondContact O-N 3.24Å; L493-V500 HydrophobicContact CD2-CG1 4.34Å; L493-V500 PolarHBondContact N-O 2.93Å; L493-F1570 HydrophobicContact CD1-CE1 3.78Å; L493-L1571 HydrophobicContact CB-CD2 4.44Å; L493-L1571 HydrophobicContact CD1-CD2 3.99Å; L493-R1578 PolarHBondContact O-NH2 2.9Å; L493-L1613 HydrophobicContact CD1-CD2 4.3Å; L493-L1613 WeakPolarHBondContact O-CD2 3.26Å; L493-K1644 HydrophobicContact CD2-CB 3.62Å; L493-K1644 WeakPolarHBondContact CD2-O 3.36Å |
| 494 | R | 87 | Confident | 82.5 | Confident | 5 Ų | 5 | 21.3 Ų | 21.3 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 158.1 | -177.8 | -162.1 | 172.4 | -179.5 | 97.2 | 20.5 | 111.2 | F496 P499 V500 E1609 D1610 L1613 S1645 | R494-F496 VanDerWaalsContact CZ-O 3.28Å; R494-F496 PolarHBondContact NE-O 2.83Å; R494-F496 PolarHBondContact NH2-O 3.22Å; R494-P499 CarbonylContact O-C 3.56Å; R494-P499 VanDerWaalsContact O-CA 3.27Å; R494-P499 WeakPolarHBondContact O-CA 3.28Å; R494-V500 HydrophobicContact CB-CB 3.89Å; R494-V500 HydrophobicContact CB-CG2 4.03Å; R494-V500 PolarHBondContact N-O 3.38Å; R494-V500 VanDerWaalsContact N-O 3.17Å; R494-V500 PolarHBondContact O-N 2.88Å; R494-E1609 HydrophobicContact CG-CG 4.35Å; R494-E1609 WeakPolarHBondContact CG-OE2 3.11Å; R494-D1610 IonicContact CZ-OD1 3.66Å; R494-D1610 VanDerWaalsContact CZ-OD1 3.23Å; R494-D1610 IonicContact NH1-OD1 3.82Å; R494-D1610 PolarHBondContact NH1-OD1 3.24Å; R494-D1610 IonicContact NH2-OD1 2.73Å; R494-D1610 PolarHBondContact NH2-OD1 3.27Å; R494-L1613 HydrophobicContact CG-CD1 4.45Å; R494-S1645 VanDerWaalsContact CD-O 3.31Å; R494-S1645 WeakPolarHBondContact CD-O 3.14Å; R494-S1645 PolarHBondContact NH1-O 3Å |
| 495 | L | 83.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -119.3 | -38 | 173.4 | -68.2 | 172.1 | 0 | 0 | 0 | 113 | T492 R498 I536 M1583 P1587 L1590 L1591 E1609 | T492-L495 HydrophobicContact CG2-CD2 3.66Å; T492-L495 HydrophobicContact CG2-CG 3.85Å; L495-R498 CarbonylContact C-O 3.58Å; L495-R498 CarbonylContact O-C 3.43Å; L495-I536 HydrophobicContact CD2-CG2 4.35Å; L495-M1583 HydrophobicContact CD1-CB 4.17Å; L495-P1587 HydrophobicContact CD2-CB 4.2Å; L495-L1590 HydrophobicContact CD1-CD2 3.76Å; L495-L1591 VanDerWaalsContact O-CD2 3.32Å; L495-L1591 WeakPolarHBondContact O-CD2 3.3Å; L495-E1609 VanDerWaalsContact N-CD 3.33Å; L495-E1609 PolarHBondContact N-OE1 3.42Å; L495-E1609 PolarHBondContact N-OE2 3.45Å | ||
| 496 | F | 85.6 | Confident | 82.4 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 2% | 0.022 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -124.1 | 133.6 | -170.7 | -51.9 | -52.4 | 0 | 0 | 0 | 112.8 | R494 L1590 L1591 Y1594 M1605 E1606 E1609 | R494-F496 VanDerWaalsContact CZ-O 3.28Å; R494-F496 PolarHBondContact NE-O 2.83Å; R494-F496 PolarHBondContact NH2-O 3.22Å; F496-L1590 HydrophobicContact CE1-CD2 4.2Å; F496-L1590 HydrophobicContact CE2-CD2 3.96Å; F496-L1590 HydrophobicContact CZ-CD2 3.39Å; F496-L1590 HydrophobicContact CZ-CG 3.78Å; F496-L1591 HydrophobicContact CD1-CD2 4.2Å; F496-L1591 HydrophobicContact CE1-CD2 4.19Å; F496-Y1594 HydrophobicContact CB-CD2 4.06Å; F496-Y1594 HydrophobicContact CB-CE2 3.85Å; F496-Y1594 HydrophobicContact CD1-CD1 4.24Å; F496-Y1594 AromaticContact CD1-CD2 3.31Å; F496-Y1594 HydrophobicContact CD1-CD2 3.31Å; F496-Y1594 AromaticContact CD1-CE2 3.98Å; F496-Y1594 HydrophobicContact CD1-CE2 3.98Å; F496-Y1594 AromaticContact CD1-CG 3.5Å; F496-Y1594 HydrophobicContact CD1-CG 3.5Å; F496-Y1594 HydrophobicContact CD2-CD2 4.45Å; F496-Y1594 VanDerWaalsContact CE1-CB 3.41Å; F496-Y1594 AromaticContact CE1-CD2 3.72Å; F496-Y1594 HydrophobicContact CE1-CD2 3.72Å; F496-Y1594 AromaticContact CE1-CG 3.71Å; F496-Y1594 HydrophobicContact CE1-CG 3.71Å; F496-Y1594 AromaticContact CG-CD2 3.7Å; F496-Y1594 HydrophobicContact CG-CD2 3.7Å; F496-Y1594 HydrophobicContact CG-CE2 4.04Å; F496-Y1594 HydrophobicContact CG-CG 4.35Å; F496-Y1594 HydrophobicContact CZ-CD2 4.39Å; F496-M1605 HydrophobicContact CD2-CB 3.8Å; F496-M1605 HydrophobicContact CE2-CB 3.79Å; F496-M1605 HydrophobicContact CE2-CG 4.3Å; F496-M1605 HydrophobicContact CE2-SD 4.19Å; F496-M1605 HydrophobicContact CZ-SD 4.06Å; F496-E1606 HydrophobicContact CB-CG 4.24Å; F496-E1609 PolarHBondContact N-OE2 3.35Å |
| 497 | P | 80.7 | Confident | 82 | Confident | 78 Ų | 78 | 29.1 Ų | 29.1 | 51% | 0.506 | 15% | 0.147 | S | C | . | . | S | Bend | cis | -81 | -8.9 | 5.2 | 33.3 | -38.2 | 0 | 0 | 0 | 114.2 | Y1594 | P497-Y1594 HydrophobicContact CB-CE1 4.45Å; P497-Y1594 WeakPolarHBondContact CB-OH 3.41Å |
| 498 | R | 77.6 | Confident | 82.2 | Confident | 98 Ų | 98 | 27.9 Ų | 27.9 | 37% | 0.37 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -134.7 | 141 | 177.8 | -177.3 | -161.5 | 174.6 | 97.9 | -3 | 108.5 | L495 V500 E533 | L495-R498 CarbonylContact C-O 3.58Å; L495-R498 CarbonylContact O-C 3.43Å; R498-V500 PolarHBondContact O-N 3.3Å; R498-E533 IonicContact CZ-OE2 3.56Å; R498-E533 VanDerWaalsContact CZ-OE2 3.29Å; R498-E533 IonicContact NE-OE1 2.66Å; R498-E533 IonicContact NE-OE2 3.48Å; R498-E533 PolarHBondContact NE-OE2 2.89Å; R498-E533 VanDerWaalsContact NE-OE2 3.09Å; R498-E533 IonicContact NH2-OE2 3.54Å; R498-E533 PolarHBondContact NH2-OE2 2.93Å |
| 499 | P | 82.1 | Confident | 82.8 | Confident | 25 Ų | 25 | 27 Ų | 27 | 16% | 0.162 | 13% | 0.134 | C | C | . | . | trans | -64.9 | 132.2 | 168.3 | 27.2 | -34 | 0 | 0 | 0 | 110.9 | R494 I536 L1591 | R494-P499 CarbonylContact O-C 3.56Å; R494-P499 VanDerWaalsContact O-CA 3.27Å; R494-P499 WeakPolarHBondContact O-CA 3.28Å; P499-I536 HydrophobicContact CB-CD1 4.25Å; P499-I536 HydrophobicContact CB-CG2 4.41Å; P499-L1591 HydrophobicContact CG-CD1 4.36Å | ||
| 500 | V | 85.1 | Confident | 82.8 | Confident | 16 Ų | 16 | 31.1 Ų | 31.1 | 10% | 0.097 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 136.5 | 176.8 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | L493 R494 R498 | L493-V500 HydrophobicContact CD2-CG1 4.34Å; L493-V500 PolarHBondContact N-O 2.93Å; R494-V500 HydrophobicContact CB-CB 3.89Å; R494-V500 HydrophobicContact CB-CG2 4.03Å; R494-V500 PolarHBondContact N-O 3.38Å; R494-V500 VanDerWaalsContact N-O 3.17Å; R494-V500 PolarHBondContact O-N 2.88Å; R498-V500 PolarHBondContact O-N 3.3Å |
| 501 | V | 84.2 | Confident | 82.7 | Confident | 10 Ų | 10 | 32.1 Ų | 32.1 | 6% | 0.061 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 133.8 | -173.1 | 164.1 | 0 | 0 | 0 | 0 | 111.7 | I490 R491 A532 E533 I536 | I490-V501 HydrophobicContact CB-CG1 4.22Å; I490-V501 HydrophobicContact CD1-CG1 4.32Å; I490-V501 HydrophobicContact CG1-CG1 3.93Å; I490-V501 HydrophobicContact CG2-CG1 3.69Å; I490-V501 HydrophobicContact CG2-CG2 4.17Å; R491-V501 WeakPolarHBondContact O-CA 3.37Å; V501-A532 HydrophobicContact CB-CB 4.5Å; V501-A532 HydrophobicContact CG1-CB 3.82Å; V501-E533 HydrophobicContact CB-CG 4.15Å; V501-E533 HydrophobicContact CG2-CG 4.44Å; V501-I536 HydrophobicContact CG2-CD1 3.4Å; V501-I536 VanDerWaalsContact CG2-CD1 3.4Å; V501-I536 HydrophobicContact CG2-CG1 3.97Å |
| 502 | A | 83.3 | Confident | 83.1 | Confident | 7 Ų | 7 | 32.1 Ų | 32.1 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 116.1 | 161 | 0 | 0 | 0 | 0 | 0 | 109.5 | R491 L1571 | R491-A502 HydrophobicContact CB-CB 4.44Å; R491-A502 PolarHBondContact N-O 2.98Å; R491-A502 PolarHBondContact O-N 3.46Å; A502-L1571 HydrophobicContact CB-CD1 3.48Å; A502-L1571 VanDerWaalsContact CB-CD1 3.48Å; A502-L1571 HydrophobicContact CB-CD2 3.6Å; A502-L1571 HydrophobicContact CB-CG 4.21Å |
| 503 | F | 84.2 | Confident | 83.1 | Confident | 40 Ų | 40 | 36 Ų | 36 | 18% | 0.175 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 118.6 | 172.8 | -179.8 | -121.5 | 0 | 0 | 0 | 110.5 | F486 H489 I490 Y505 F508 A523 | F486-F503 HydrophobicContact CB-CE2 4.34Å; H489-F503 HydrophobicContact CB-CE2 4.23Å; H489-F503 WeakPolarHBondContact O-CD2 3.33Å; I490-F503 HydrophobicContact CG1-CD2 4.1Å; F503-Y505 HydrophobicContact CE1-CD2 4.4Å; F503-Y505 PolarHBondContact O-N 2.91Å; F503-F508 HydrophobicContact CE1-CB 4.41Å; F503-F508 HydrophobicContact CE1-CD1 4.32Å; F503-F508 HydrophobicContact CE1-CG 4.39Å; F503-F508 HydrophobicContact CE2-CB 3.99Å; F503-F508 HydrophobicContact CE2-CD2 4.12Å; F503-F508 AromaticContact CE2-CG 3.98Å; F503-F508 HydrophobicContact CE2-CG 3.98Å; F503-F508 HydrophobicContact CZ-CB 3.63Å; F503-F508 AromaticContact CZ-CD1 3.65Å; F503-F508 HydrophobicContact CZ-CD1 3.65Å; F503-F508 AromaticContact CZ-CD2 3.91Å; F503-F508 HydrophobicContact CZ-CD2 3.91Å; F503-F508 HydrophobicContact CZ-CE1 4.28Å; F503-F508 HydrophobicContact CZ-CE2 4.5Å; F503-F508 AromaticContact CZ-CG 3.43Å; F503-F508 HydrophobicContact CZ-CG 3.43Å; F503-F508 VanDerWaalsContact CZ-CG 3.43Å; F503-A523 HydrophobicContact CE1-CB 4.17Å; F503-A523 WeakPolarHBondContact CE1-O 3.27Å |
| 504 | Q | 80.9 | Confident | 83 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 9% | 0.089 | 21% | 0.212 | C | C | . | . | trans | -80.4 | 65.1 | -179.5 | -64.9 | -179.8 | -54.8 | 0 | 0 | 110.7 | H489 R491 E506 S507 F508 D1568 | H489-Q504 HydrophobicContact CB-CB 4.43Å; H489-Q504 WeakPolarHBondContact O-CB 3.33Å; H489-Q504 PolarHBondContact O-N 3.48Å; R491-Q504 VanDerWaalsContact CZ-OE1 3.24Å; Q504-E506 PolarHBondContact O-N 3.27Å; Q504-E506 VanDerWaalsContact O-N 3.07Å; Q504-S507 WeakPolarHBondContact O-CB 3.29Å; Q504-S507 PolarHBondContact O-N 3.18Å; Q504-F508 PolarHBondContact O-N 3.37Å; Q504-D1568 PolarHBondContact NE2-OD1 3.42Å | ||
| 505 | Y | 85.4 | Confident | 82.6 | Confident | 65 Ų | 65 | 45.9 Ų | 45.9 | 26% | 0.255 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -44 | -43.9 | -176.5 | 167.8 | -88.5 | 0 | 0 | 0 | 113.7 | F503 F508 M509 S520 A523 K524 | F503-Y505 HydrophobicContact CE1-CD2 4.4Å; F503-Y505 PolarHBondContact O-N 2.91Å; Y505-F508 PolarHBondContact O-N 2.75Å; Y505-M509 HydrophobicContact CD1-CG 4.49Å; Y505-M509 HydrophobicContact CD2-CG 4.16Å; Y505-M509 HydrophobicContact CE1-CG 3.99Å; Y505-M509 HydrophobicContact CE2-CG 3.63Å; Y505-M509 HydrophobicContact CE2-SD 4.23Å; Y505-M509 WeakPolarHBondContact O-CG 3.33Å; Y505-M509 PolarHBondContact O-N 3.37Å; Y505-S520 PolarHBondContact OH-O 3.49Å; Y505-A523 HydrophobicContact CD2-CB 4.01Å; Y505-A523 HydrophobicContact CE2-CB 3.99Å; Y505-K524 HydrophobicContact CD2-CG 3.84Å; Y505-K524 HydrophobicContact CE2-CD 4.18Å; Y505-K524 HydrophobicContact CE2-CG 3.55Å; Y505-K524 VanDerWaalsContact OH-CE 3.24Å; Y505-K524 WeakPolarHBondContact OH-CE 3.49Å |
| 506 | E | 80.2 | Confident | 82.6 | Confident | 103 Ų | 103 | 47.6 Ų | 47.6 | 48% | 0.481 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.4 | -48.7 | 178.3 | -85.8 | -161 | -138.2 | 0 | 0 | 112.5 | Q504 F508 M509 K510 | Q504-E506 PolarHBondContact O-N 3.27Å; Q504-E506 VanDerWaalsContact O-N 3.07Å; E506-F508 VanDerWaalsContact C-N 3.29Å; E506-F508 PolarHBondContact O-N 2.99Å; E506-M509 PolarHBondContact O-N 3.06Å; E506-K510 WeakPolarHBondContact O-CB 3.49Å; E506-K510 WeakPolarHBondContact O-CD 3.41Å; E506-K510 WeakPolarHBondContact O-CG 3.39Å; E506-K510 PolarHBondContact O-N 2.95Å; E506-K510 WeakPolarHBondContact OE2-CE 3.42Å; E506-K510 IonicContact OE2-NZ 2.7Å; E506-K510 PolarHBondContact OE2-NZ 3.22Å |
| 507 | S | 77.9 | Confident | 82.8 | Confident | 27 Ų | 27 | 52.6 Ų | 52.6 | 19% | 0.189 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | H489 Q504 K510 S511 | H489-S507 PolarHBondContact CE1-O 3.14Å; H489-S507 VanDerWaalsContact CE1-O 3.26Å; H489-S507 VanDerWaalsContact ND1-C 3.26Å; H489-S507 PolarHBondContact ND1-O 2.93Å; H489-S507 PolarHBondContact ND1-OG 2.86Å; Q504-S507 WeakPolarHBondContact O-CB 3.29Å; Q504-S507 PolarHBondContact O-N 3.18Å; S507-K510 PolarHBondContact O-N 2.77Å; S507-S511 PolarHBondContact O-N 2.84Å; S507-S511 VanDerWaalsContact O-N 3.14Å |
| 508 | F | 85.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.5 | -53.1 | 176.4 | 174.7 | -100.9 | 0 | 0 | 0 | 112 | I482 L483 F486 H489 F503 Q504 Y505 E506 K510 S511 R512 T519 A523 | I482-F508 WeakPolarHBondContact O-CZ 3.33Å; L483-F508 HydrophobicContact CD2-CZ 4.08Å; F486-F508 HydrophobicContact CB-CD2 3.96Å; F486-F508 HydrophobicContact CB-CE2 3.57Å; F486-F508 HydrophobicContact CB-CZ 4.44Å; H489-F508 HydrophobicContact CB-CB 3.85Å; H489-F508 HydrophobicContact CB-CD2 4.49Å; H489-F508 AromaticContact CD2-CD2 3.74Å; H489-F508 PolarHBondContact ND1-N 2.79Å; F503-F508 HydrophobicContact CE1-CB 4.41Å; F503-F508 HydrophobicContact CE1-CD1 4.32Å; F503-F508 HydrophobicContact CE1-CG 4.39Å; F503-F508 HydrophobicContact CE2-CB 3.99Å; F503-F508 HydrophobicContact CE2-CD2 4.12Å; F503-F508 AromaticContact CE2-CG 3.98Å; F503-F508 HydrophobicContact CE2-CG 3.98Å; F503-F508 HydrophobicContact CZ-CB 3.63Å; F503-F508 AromaticContact CZ-CD1 3.65Å; F503-F508 HydrophobicContact CZ-CD1 3.65Å; F503-F508 AromaticContact CZ-CD2 3.91Å; F503-F508 HydrophobicContact CZ-CD2 3.91Å; F503-F508 HydrophobicContact CZ-CE1 4.28Å; F503-F508 HydrophobicContact CZ-CE2 4.5Å; F503-F508 AromaticContact CZ-CG 3.43Å; F503-F508 HydrophobicContact CZ-CG 3.43Å; F503-F508 VanDerWaalsContact CZ-CG 3.43Å; Q504-F508 PolarHBondContact O-N 3.37Å; Y505-F508 PolarHBondContact O-N 2.75Å; E506-F508 VanDerWaalsContact C-N 3.29Å; E506-F508 PolarHBondContact O-N 2.99Å; F508-K510 VanDerWaalsContact C-N 3.29Å; F508-K510 PolarHBondContact O-N 3.12Å; F508-S511 WeakPolarHBondContact O-CB 3.3Å; F508-S511 PolarHBondContact O-N 2.57Å; F508-S511 VanDerWaalsContact O-N 3.1Å; F508-S511 PolarHBondContact O-OG 3.45Å; F508-R512 VanDerWaalsContact CE2-CZ 3.49Å; F508-R512 PolarHBondContact O-NE 3.2Å; F508-T519 HydrophobicContact CE1-CG2 4.15Å; F508-A523 HydrophobicContact CD1-CB 3.92Å; F508-A523 HydrophobicContact CE1-CB 3.7Å |
| 509 | M | 86.6 | Confident | 84 | Confident | 20 Ų | 20 | 44.2 Ų | 44.2 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.1 | -33.4 | -178.7 | -71.9 | -54.4 | -54.9 | 0 | 0 | 112.8 | Y505 E506 S511 R512 P515 T519 A523 | Y505-M509 HydrophobicContact CD1-CG 4.49Å; Y505-M509 HydrophobicContact CD2-CG 4.16Å; Y505-M509 HydrophobicContact CE1-CG 3.99Å; Y505-M509 HydrophobicContact CE2-CG 3.63Å; Y505-M509 HydrophobicContact CE2-SD 4.23Å; Y505-M509 WeakPolarHBondContact O-CG 3.33Å; Y505-M509 PolarHBondContact O-N 3.37Å; E506-M509 PolarHBondContact O-N 3.06Å; M509-S511 VanDerWaalsContact C-N 3.3Å; M509-S511 PolarHBondContact O-N 3.39Å; M509-R512 PolarHBondContact O-N 3.32Å; M509-P515 HydrophobicContact CE-CB 4.15Å; M509-T519 HydrophobicContact CE-CG2 4.31Å; M509-T519 HydrophobicContact SD-CG2 4.09Å; M509-A523 HydrophobicContact SD-CB 4.22Å |
| 510 | K | 81.2 | Confident | 84.4 | Confident | 91 Ų | 91 | 44 Ų | 44 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70.4 | -24 | 175.9 | -66.4 | 159.1 | -169.1 | 179.3 | 0 | 113 | E506 S507 F508 P955 | E506-K510 WeakPolarHBondContact O-CB 3.49Å; E506-K510 WeakPolarHBondContact O-CD 3.41Å; E506-K510 WeakPolarHBondContact O-CG 3.39Å; E506-K510 PolarHBondContact O-N 2.95Å; E506-K510 WeakPolarHBondContact OE2-CE 3.42Å; E506-K510 IonicContact OE2-NZ 2.7Å; E506-K510 PolarHBondContact OE2-NZ 3.22Å; S507-K510 PolarHBondContact O-N 2.77Å; F508-K510 VanDerWaalsContact C-N 3.29Å; F508-K510 PolarHBondContact O-N 3.12Å; K510-P955 WeakPolarHBondContact CB-O 3.47Å; K510-P955 HydrophobicContact CD-CB 3.83Å; K510-P955 WeakPolarHBondContact CD-O 3.28Å; K510-P955 HydrophobicContact CG-CB 4.5Å |
| 511 | S | 81.7 | Confident | 84.8 | Confident | 34 Ų | 34 | 46.6 Ų | 46.6 | 24% | 0.238 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -14.5 | 176.2 | 78.1 | 0 | 0 | 0 | 0 | 115 | H489 S507 F508 M509 P513 | H489-S511 PolarHBondContact NE2-OG 3.22Å; S507-S511 PolarHBondContact O-N 2.84Å; S507-S511 VanDerWaalsContact O-N 3.14Å; F508-S511 WeakPolarHBondContact O-CB 3.3Å; F508-S511 PolarHBondContact O-N 2.57Å; F508-S511 VanDerWaalsContact O-N 3.1Å; F508-S511 PolarHBondContact O-OG 3.45Å; M509-S511 VanDerWaalsContact C-N 3.3Å; M509-S511 PolarHBondContact O-N 3.39Å; S511-P513 WeakPolarHBondContact O-CD 3.45Å |
| 512 | R | 85 | Confident | 85.3 | Confident | 17 Ų | 17 | 46.1 Ų | 46.1 | 6% | 0.064 | 24% | 0.242 | C | C | . | . | trans | -73 | 127 | -173.6 | -54.4 | -63.3 | 80.6 | -175.2 | -0.3 | 109.8 | N480 G484 F508 M509 K514 P515 | N480-R512 WeakPolarHBondContact O-CD 3.5Å; N480-R512 PolarHBondContact O-NE 2.75Å; N480-R512 PolarHBondContact O-NH1 3.17Å; G484-R512 VanDerWaalsContact O-CZ 3.31Å; G484-R512 PolarHBondContact O-NH1 2.85Å; G484-R512 PolarHBondContact O-NH2 2.83Å; F508-R512 VanDerWaalsContact CE2-CZ 3.49Å; F508-R512 PolarHBondContact O-NE 3.2Å; M509-R512 PolarHBondContact O-N 3.32Å; R512-K514 PolarHBondContact O-N 3.03Å; R512-P515 HydrophobicContact CB-CB 4.45Å; R512-P515 HydrophobicContact CB-CG 4.17Å; R512-P515 WeakPolarHBondContact O-CD 3.34Å | ||
| 513 | P | 81.8 | Confident | 85.7 | Confident | 93 Ų | 93 | 46 Ų | 46 | 60% | 0.604 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -57.4 | -32.2 | 177.4 | -27.7 | 35.4 | 0 | 0 | 0 | 114.4 | N480 N481 S511 | N480-P513 HydrophobicContact CB-CG 4.26Å; N480-P513 WeakPolarHBondContact O-CD 3.47Å; N481-P513 WeakPolarHBondContact OD1-CD 3.49Å; S511-P513 WeakPolarHBondContact O-CD 3.45Å |
| 514 | K | 83.5 | Confident | 86.1 | Confident | 131 Ų | 131 | 51 Ų | 51 | 57% | 0.57 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -138.1 | 90.9 | 170.3 | -68.6 | -174.4 | 177.9 | -177 | 0 | 109.3 | N481 R512 C516 | N481-K514 PolarHBondContact OD1-N 2.84Å; N481-K514 PolarHBondContact OD1-O 3.18Å; R512-K514 PolarHBondContact O-N 3.03Å; K514-C516 PolarHBondContact O-N 2.9Å |
| 515 | P | 78.2 | Confident | 86.7 | Confident | 84 Ų | 84 | 50.5 Ų | 50.5 | 55% | 0.545 | 26% | 0.261 | S | S | . | . | trans | -61.9 | 132.2 | 174.1 | -16.3 | 29.6 | 0 | 0 | 0 | 110.1 | M509 R512 | M509-P515 HydrophobicContact CE-CB 4.15Å; R512-P515 HydrophobicContact CB-CB 4.45Å; R512-P515 HydrophobicContact CB-CG 4.17Å; R512-P515 WeakPolarHBondContact O-CD 3.34Å | ||
| 516 | C | 85.1 | Confident | 86.9 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 25% | 0.25 | 26% | 0.263 | C | S | . | . | trans | -130.9 | 165.2 | 175.3 | 81.6 | 0 | 0 | 0 | 0 | 111.8 | K514 F518 T519 S520 | K514-C516 PolarHBondContact O-N 2.9Å; C516-F518 PolarHBondContact O-N 3.04Å; C516-T519 PolarHBondContact O-N 2.72Å; C516-T519 PolarHBondContact SG-N 3.02Å; C516-T519 VanDerWaalsContact SG-N 3.43Å; C516-T519 PolarHBondContact SG-OG1 2.93Å; C516-T519 VanDerWaalsContact SG-OG1 3.37Å; C516-S520 PolarHBondContact O-N 2.72Å | ||
| 517 | L | 89.4 | Confident | 87.5 | Confident | 109 Ų | 109 | 46 Ų | 46 | 57% | 0.571 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.7 | -43.5 | -177.7 | -176 | 55.3 | 0 | 0 | 0 | 111.8 | P400 T519 S520 M521 | P400-L517 HydrophobicContact CB-CB 3.88Å; P400-L517 HydrophobicContact CB-CD2 4Å; P400-L517 HydrophobicContact CB-CG 3.82Å; P400-L517 HydrophobicContact CG-CG 4.17Å; L517-T519 PolarHBondContact O-N 3.28Å; L517-S520 WeakPolarHBondContact CA-OG 3.34Å; L517-S520 PolarHBondContact O-N 2.89Å; L517-S520 VanDerWaalsContact O-N 3.15Å; L517-S520 PolarHBondContact O-OG 2.6Å; L517-M521 HydrophobicContact CD1-CG 4.3Å; L517-M521 HydrophobicContact CD1-SD 4.21Å; L517-M521 HydrophobicContact CG-SD 4.14Å; L517-M521 WeakPolarHBondContact O-CG 3.43Å; L517-M521 PolarHBondContact O-N 3.26Å |
| 518 | F | 91.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54 | -53.4 | 175.6 | 175.2 | -94.4 | 0 | 0 | 0 | 112.2 | M300 L303 L304 P400 E401 L402 I482 C516 S520 M521 L522 | M300-F518 HydrophobicContact CB-CE2 4.33Å; M300-F518 HydrophobicContact CE-CD2 3.65Å; M300-F518 HydrophobicContact CE-CE2 3.87Å; M300-F518 HydrophobicContact CG-CE2 4.23Å; L303-F518 HydrophobicContact CD1-CZ 4.26Å; L304-F518 HydrophobicContact CD1-CD2 3.99Å; L304-F518 HydrophobicContact CD1-CE2 4.23Å; L304-F518 HydrophobicContact CD2-CD2 4.06Å; L304-F518 HydrophobicContact CD2-CE2 3.93Å; L304-F518 HydrophobicContact CG-CD2 4.21Å; L304-F518 HydrophobicContact CG-CE2 3.99Å; P400-F518 HydrophobicContact CB-CB 4.23Å; P400-F518 HydrophobicContact CG-CB 3.93Å; P400-F518 HydrophobicContact CG-CD2 4.44Å; E401-F518 WeakPolarHBondContact O-CB 3.44Å; L402-F518 HydrophobicContact CD2-CD1 4.36Å; L402-F518 HydrophobicContact CD2-CE1 3.98Å; L402-F518 HydrophobicContact CD2-CE2 4.41Å; L402-F518 HydrophobicContact CD2-CZ 4.01Å; I482-F518 HydrophobicContact CD1-CD1 4.21Å; I482-F518 HydrophobicContact CD1-CE1 4.06Å; C516-F518 PolarHBondContact O-N 3.04Å; F518-S520 VanDerWaalsContact C-N 3.29Å; F518-S520 PolarHBondContact O-N 2.8Å; F518-M521 PolarHBondContact O-N 3.08Å; F518-M521 VanDerWaalsContact O-N 3.15Å; F518-L522 HydrophobicContact CE1-CB 4.46Å; F518-L522 HydrophobicContact CE1-CD2 3.77Å; F518-L522 HydrophobicContact CZ-CD2 4.11Å; F518-L522 WeakPolarHBondContact O-CB 3.45Å; F518-L522 PolarHBondContact O-N 3.16Å |
| 519 | T | 91.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.4 | -36.5 | 179 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | N481 I482 F508 M509 C516 L517 M521 A523 | N481-T519 WeakPolarHBondContact O-CB 3.43Å; N481-T519 VanDerWaalsContact O-CG2 3.26Å; N481-T519 WeakPolarHBondContact O-CG2 3.09Å; N481-T519 PolarHBondContact O-OG1 3.35Å; I482-T519 WeakPolarHBondContact O-CG2 3.34Å; F508-T519 HydrophobicContact CE1-CG2 4.15Å; M509-T519 HydrophobicContact CE-CG2 4.31Å; M509-T519 HydrophobicContact SD-CG2 4.09Å; C516-T519 PolarHBondContact O-N 2.72Å; C516-T519 PolarHBondContact SG-N 3.02Å; C516-T519 VanDerWaalsContact SG-N 3.43Å; C516-T519 PolarHBondContact SG-OG1 2.93Å; C516-T519 VanDerWaalsContact SG-OG1 3.37Å; L517-T519 PolarHBondContact O-N 3.28Å; T519-M521 VanDerWaalsContact C-N 3.29Å; T519-M521 PolarHBondContact O-N 3.16Å; T519-A523 WeakPolarHBondContact O-CB 3.48Å; T519-A523 PolarHBondContact O-N 3.33Å |
| 520 | S | 91.2 | Very high | 88.2 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.9 | -24.3 | 177.6 | 82.5 | 0 | 0 | 0 | 0 | 114.5 | Y505 C516 L517 F518 K524 | Y505-S520 PolarHBondContact OH-O 3.49Å; C516-S520 PolarHBondContact O-N 2.72Å; L517-S520 WeakPolarHBondContact CA-OG 3.34Å; L517-S520 PolarHBondContact O-N 2.89Å; L517-S520 VanDerWaalsContact O-N 3.15Å; L517-S520 PolarHBondContact O-OG 2.6Å; F518-S520 VanDerWaalsContact C-N 3.29Å; F518-S520 PolarHBondContact O-N 2.8Å; S520-K524 WeakPolarHBondContact O-CE 3.38Å |
| 521 | M | 93.3 | Very high | 88.6 | Confident | 71 Ų | 71 | 47 Ų | 47 | 35% | 0.35 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -85.4 | -50.8 | 173.1 | -68.2 | 174.7 | 69.6 | 0 | 0 | 110.1 | L304 P400 L517 F518 T519 A523 K524 | L304-M521 HydrophobicContact CD1-CE 4.21Å; L304-M521 HydrophobicContact CD1-SD 4.47Å; L304-M521 HydrophobicContact CD2-CB 3.79Å; P400-M521 HydrophobicContact CG-SD 3.72Å; L517-M521 HydrophobicContact CD1-CG 4.3Å; L517-M521 HydrophobicContact CD1-SD 4.21Å; L517-M521 HydrophobicContact CG-SD 4.14Å; L517-M521 WeakPolarHBondContact O-CG 3.43Å; L517-M521 PolarHBondContact O-N 3.26Å; F518-M521 PolarHBondContact O-N 3.08Å; F518-M521 VanDerWaalsContact O-N 3.15Å; T519-M521 VanDerWaalsContact C-N 3.29Å; T519-M521 PolarHBondContact O-N 3.16Å; M521-A523 VanDerWaalsContact C-N 3.27Å; M521-A523 PolarHBondContact O-N 2.97Å; M521-K524 PolarHBondContact O-N 3.38Å |
| 522 | L | 93.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -52.8 | -43.7 | 176.9 | 175.8 | 60.6 | 0 | 0 | 0 | 111.9 | L303 L304 L332 I482 L483 F518 K524 T525 V528 | L303-L522 HydrophobicContact CB-CD1 4.27Å; L303-L522 HydrophobicContact CD2-CD1 4.26Å; L303-L522 WeakPolarHBondContact O-CD1 3.12Å; L304-L522 HydrophobicContact CD2-CB 4.08Å; L332-L522 HydrophobicContact CD1-CD1 4.39Å; I482-L522 HydrophobicContact CG2-CD2 4.05Å; L483-L522 HydrophobicContact CD1-CD2 4.45Å; L483-L522 HydrophobicContact CG-CD2 4.38Å; F518-L522 HydrophobicContact CE1-CB 4.46Å; F518-L522 HydrophobicContact CE1-CD2 3.77Å; F518-L522 HydrophobicContact CZ-CD2 4.11Å; F518-L522 WeakPolarHBondContact O-CB 3.45Å; F518-L522 PolarHBondContact O-N 3.16Å; L522-K524 PolarHBondContact O-N 2.97Å; L522-T525 WeakPolarHBondContact O-CB 3.38Å; L522-T525 WeakPolarHBondContact O-CG2 3.46Å; L522-T525 PolarHBondContact O-N 3.41Å; L522-T525 VanDerWaalsContact O-N 3.09Å; L522-T525 PolarHBondContact O-OG1 2.91Å; L522-V528 HydrophobicContact CD1-CG2 3.91Å; L522-V528 HydrophobicContact CG-CG2 4.13Å; L522-V528 VanDerWaalsContact O-CG2 3.32Å; L522-V528 WeakPolarHBondContact O-CG2 3.13Å |
| 523 | A | 92.4 | Very high | 88.7 | Confident | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.033 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 2.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | F503 Y505 F508 M509 T519 M521 | F503-A523 HydrophobicContact CE1-CB 4.17Å; F503-A523 WeakPolarHBondContact CE1-O 3.27Å; Y505-A523 HydrophobicContact CD2-CB 4.01Å; Y505-A523 HydrophobicContact CE2-CB 3.99Å; F508-A523 HydrophobicContact CD1-CB 3.92Å; F508-A523 HydrophobicContact CE1-CB 3.7Å; M509-A523 HydrophobicContact SD-CB 4.22Å; T519-A523 WeakPolarHBondContact O-CB 3.48Å; T519-A523 PolarHBondContact O-N 3.33Å; M521-A523 VanDerWaalsContact C-N 3.27Å; M521-A523 PolarHBondContact O-N 2.97Å |
| 524 | K | 91.6 | Very high | 88.6 | Confident | 146 Ų | 146 | 43.6 Ų | 43.6 | 64% | 0.635 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | 2.2 | 171.9 | -60.9 | 178.3 | -172.6 | 171.9 | 0 | 113.5 | Y505 S520 M521 L522 | Y505-K524 HydrophobicContact CD2-CG 3.84Å; Y505-K524 HydrophobicContact CE2-CD 4.18Å; Y505-K524 HydrophobicContact CE2-CG 3.55Å; Y505-K524 VanDerWaalsContact OH-CE 3.24Å; Y505-K524 WeakPolarHBondContact OH-CE 3.49Å; S520-K524 WeakPolarHBondContact O-CE 3.38Å; M521-K524 PolarHBondContact O-N 3.38Å; L522-K524 PolarHBondContact O-N 2.97Å |
| 525 | T | 93.5 | Very high | 88.4 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 5% | 0.049 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -77.3 | 148.8 | -174.6 | 58.8 | 0 | 0 | 0 | 0 | 112.1 | L303 E305 L522 A527 V528 E529 | L303-T525 WeakPolarHBondContact O-CG2 3.28Å; E305-T525 HydrophobicContact CG-CG2 3.82Å; E305-T525 WeakPolarHBondContact OE1-CB 3.39Å; E305-T525 WeakPolarHBondContact OE2-CA 3.27Å; E305-T525 WeakPolarHBondContact OE2-CB 3.34Å; L522-T525 WeakPolarHBondContact O-CB 3.38Å; L522-T525 WeakPolarHBondContact O-CG2 3.46Å; L522-T525 PolarHBondContact O-N 3.41Å; L522-T525 VanDerWaalsContact O-N 3.09Å; L522-T525 PolarHBondContact O-OG1 2.91Å; T525-A527 PolarHBondContact O-N 3.48Å; T525-V528 PolarHBondContact O-N 3.21Å; T525-V528 VanDerWaalsContact O-N 3.07Å; T525-V528 WeakPolarHBondContact OG1-CG2 3.39Å; T525-V528 PolarHBondContact OG1-N 3.17Å; T525-E529 PolarHBondContact O-N 3.47Å |
| 526 | Q | 91.5 | Very high | 88.2 | Confident | 64 Ų | 64 | 34.6 Ų | 34.6 | 30% | 0.299 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.7 | -32.8 | 174.1 | -165.9 | 66.2 | 84.7 | 0 | 0 | 111.3 | E305 M335 F336 E529 Y530 | E305-Q526 VanDerWaalsContact CD-N 3.32Å; E305-Q526 WeakPolarHBondContact OE1-CA 2.96Å; E305-Q526 WeakPolarHBondContact OE1-CB 3.37Å; E305-Q526 PolarHBondContact OE1-N 2.78Å; E305-Q526 PolarHBondContact OE2-N 2.79Å; E305-Q526 VanDerWaalsContact OE2-N 3.09Å; M335-Q526 HydrophobicContact CB-CG 4.14Å; M335-Q526 HydrophobicContact CG-CB 4.5Å; M335-Q526 HydrophobicContact CG-CG 4.01Å; F336-Q526 HydrophobicContact CE2-CB 4.48Å; F336-Q526 HydrophobicContact CZ-CB 4.07Å; Q526-E529 PolarHBondContact NE2-OE2 2.65Å; Q526-E529 PolarHBondContact O-N 3.38Å; Q526-Y530 WeakPolarHBondContact O-CB 3.34Å; Q526-Y530 PolarHBondContact O-N 3.09Å |
| 527 | A | 91.9 | Very high | 87.3 | Confident | 9 Ų | 9 | 34.2 Ų | 34.2 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.2 | -41.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E305 T525 F531 | E305-A527 PolarHBondContact OE1-N 2.92Å; T525-A527 PolarHBondContact O-N 3.48Å; A527-F531 WeakPolarHBondContact O-CB 3.06Å; A527-F531 PolarHBondContact O-N 3.13Å |
| 528 | V | 92.3 | Very high | 86 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -76.2 | -36 | 176.9 | 171.2 | 0 | 0 | 0 | 0 | 111.9 | L332 L483 L522 T525 F531 A532 | L332-V528 HydrophobicContact CD1-CG2 4.46Å; L332-V528 HydrophobicContact CD2-CG2 4.26Å; L483-V528 HydrophobicContact CD1-CG2 3.98Å; L483-V528 HydrophobicContact CD2-CG1 4.15Å; L483-V528 HydrophobicContact CD2-CG2 4.08Å; L522-V528 HydrophobicContact CD1-CG2 3.91Å; L522-V528 HydrophobicContact CG-CG2 4.13Å; L522-V528 VanDerWaalsContact O-CG2 3.32Å; L522-V528 WeakPolarHBondContact O-CG2 3.13Å; T525-V528 PolarHBondContact O-N 3.21Å; T525-V528 VanDerWaalsContact O-N 3.07Å; T525-V528 WeakPolarHBondContact OG1-CG2 3.39Å; T525-V528 PolarHBondContact OG1-N 3.17Å; V528-F531 PolarHBondContact O-N 3.23Å; V528-A532 WeakPolarHBondContact O-CB 3.37Å; V528-A532 PolarHBondContact O-N 2.73Å |
| 529 | E | 86.2 | Confident | 84.8 | Confident | 78 Ų | 78 | 34.2 Ų | 34.2 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 173.7 | -173.1 | 171.4 | -122.6 | 0 | 0 | 111.7 | T525 Q526 F531 A532 E533 | T525-E529 PolarHBondContact O-N 3.47Å; Q526-E529 PolarHBondContact NE2-OE2 2.65Å; Q526-E529 PolarHBondContact O-N 3.38Å; E529-F531 VanDerWaalsContact C-N 3.35Å; E529-F531 PolarHBondContact O-N 3.22Å; E529-A532 VanDerWaalsContact O-CB 3.29Å; E529-A532 WeakPolarHBondContact O-CB 3.36Å; E529-A532 PolarHBondContact O-N 2.87Å; E529-A532 VanDerWaalsContact O-N 3.14Å; E529-E533 PolarHBondContact O-N 3.41Å |
| 530 | Y | 86.9 | Confident | 84.1 | Confident | 65 Ų | 65 | 36.2 Ų | 36.2 | 26% | 0.255 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.7 | -36 | 174.4 | 178.7 | -94.3 | 0 | 0 | 0 | 112.8 | Q333 M335 Q526 A532 E533 S534 | Q333-Y530 HydrophobicContact CB-CD1 4.05Å; Q333-Y530 HydrophobicContact CB-CE1 3.84Å; Q333-Y530 HydrophobicContact CG-CE1 4.45Å; Q333-Y530 VanDerWaalsContact OE1-CZ 3.31Å; Q333-Y530 PolarHBondContact OE1-OH 3.22Å; M335-Y530 HydrophobicContact CE-CD1 3.35Å; M335-Y530 HydrophobicContact CE-CD2 3.82Å; M335-Y530 HydrophobicContact CE-CE1 3.64Å; M335-Y530 HydrophobicContact CE-CE2 4.08Å; M335-Y530 HydrophobicContact CE-CG 3.42Å; M335-Y530 VanDerWaalsContact CE-CG 3.42Å; M335-Y530 HydrophobicContact SD-CD2 4.15Å; M335-Y530 HydrophobicContact SD-CG 4.08Å; Q526-Y530 WeakPolarHBondContact O-CB 3.34Å; Q526-Y530 PolarHBondContact O-N 3.09Å; Y530-A532 VanDerWaalsContact C-N 3.28Å; Y530-A532 PolarHBondContact O-N 3.27Å; Y530-E533 PolarHBondContact O-N 3.05Å; Y530-S534 WeakPolarHBondContact CE1-OG 3.48Å; Y530-S534 VanDerWaalsContact O-CB 3.28Å; Y530-S534 WeakPolarHBondContact O-CB 3.39Å; Y530-S534 PolarHBondContact O-N 2.94Å; Y530-S534 PolarHBondContact O-OG 3.11Å |
| 531 | F | 89.5 | Confident | 83.8 | Confident | 14 Ų | 14 | 38.1 Ų | 38.1 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.2 | -32.8 | 172.9 | -176.7 | -131.7 | 0 | 0 | 0 | 111.8 | P331 L332 F486 A527 V528 E529 S534 S535 Y543 | P331-F531 HydrophobicContact CB-CD2 4.45Å; P331-F531 HydrophobicContact CB-CE2 3.71Å; P331-F531 HydrophobicContact CB-CZ 4.07Å; P331-F531 HydrophobicContact CG-CE1 4.23Å; P331-F531 HydrophobicContact CG-CE2 3.7Å; P331-F531 HydrophobicContact CG-CZ 3.52Å; L332-F531 HydrophobicContact CD2-CB 3.58Å; L332-F531 HydrophobicContact CD2-CD1 3.43Å; L332-F531 VanDerWaalsContact CD2-CD1 3.43Å; L332-F531 HydrophobicContact CD2-CD2 4.39Å; L332-F531 HydrophobicContact CD2-CE1 4.16Å; L332-F531 HydrophobicContact CD2-CG 3.56Å; F486-F531 HydrophobicContact CD1-CE1 4.23Å; F486-F531 HydrophobicContact CD2-CD1 4.48Å; F486-F531 AromaticContact CE1-CD1 3.98Å; F486-F531 HydrophobicContact CE1-CD1 3.98Å; F486-F531 AromaticContact CE1-CE1 3.34Å; F486-F531 HydrophobicContact CE1-CE1 3.34Å; F486-F531 AromaticContact CE1-CZ 3.86Å; F486-F531 HydrophobicContact CE1-CZ 3.86Å; F486-F531 AromaticContact CE2-CD1 3.61Å; F486-F531 HydrophobicContact CE2-CD1 3.61Å; F486-F531 AromaticContact CE2-CE1 3.88Å; F486-F531 HydrophobicContact CE2-CE1 3.88Å; F486-F531 HydrophobicContact CE2-CG 4.3Å; F486-F531 AromaticContact CZ-CD1 3.33Å; F486-F531 HydrophobicContact CZ-CD1 3.33Å; F486-F531 AromaticContact CZ-CE1 3.13Å; F486-F531 HydrophobicContact CZ-CE1 3.13Å; F486-F531 HydrophobicContact CZ-CE2 4.35Å; F486-F531 HydrophobicContact CZ-CG 4.05Å; F486-F531 AromaticContact CZ-CZ 3.69Å; F486-F531 HydrophobicContact CZ-CZ 3.69Å; A527-F531 WeakPolarHBondContact O-CB 3.06Å; A527-F531 PolarHBondContact O-N 3.13Å; V528-F531 PolarHBondContact O-N 3.23Å; E529-F531 VanDerWaalsContact C-N 3.35Å; E529-F531 PolarHBondContact O-N 3.22Å; F531-S534 PolarHBondContact O-N 2.88Å; F531-S535 WeakPolarHBondContact O-CB 3.41Å; F531-S535 PolarHBondContact O-N 2.86Å; F531-Y543 HydrophobicContact CE2-CE1 4.29Å; F531-Y543 AromaticContact CZ-CE1 4Å; F531-Y543 HydrophobicContact CZ-CE1 4Å; F531-Y543 HydrophobicContact CZ-CE2 4.42Å; F531-Y543 AromaticContact CZ-CZ 3.81Å |
| 532 | A | 85.8 | Confident | 83.6 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.7 | -48.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | F486 I490 V501 V528 E529 Y530 S534 S535 | F486-A532 HydrophobicContact CE2-CB 4.35Å; I490-A532 HydrophobicContact CD1-CB 3.5Å; I490-A532 HydrophobicContact CG1-CB 4.1Å; V501-A532 HydrophobicContact CB-CB 4.5Å; V501-A532 HydrophobicContact CG1-CB 3.82Å; V528-A532 WeakPolarHBondContact O-CB 3.37Å; V528-A532 PolarHBondContact O-N 2.73Å; E529-A532 VanDerWaalsContact O-CB 3.29Å; E529-A532 WeakPolarHBondContact O-CB 3.36Å; E529-A532 PolarHBondContact O-N 2.87Å; E529-A532 VanDerWaalsContact O-N 3.14Å; Y530-A532 VanDerWaalsContact C-N 3.28Å; Y530-A532 PolarHBondContact O-N 3.27Å; A532-S534 PolarHBondContact O-N 3.4Å; A532-S535 WeakPolarHBondContact O-CB 3.36Å; A532-S535 PolarHBondContact O-N 2.78Å; A532-S535 PolarHBondContact O-OG 2.68Å |
| 533 | E | 81.7 | Confident | 83.4 | Confident | 31 Ų | 31 | 36.5 Ų | 36.5 | 15% | 0.145 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.1 | -48 | 171.6 | -67.1 | -169.7 | 153.7 | 0 | 0 | 112 | R498 V501 E529 Y530 S535 I536 | R498-E533 IonicContact CZ-OE2 3.56Å; R498-E533 VanDerWaalsContact CZ-OE2 3.29Å; R498-E533 IonicContact NE-OE1 2.66Å; R498-E533 IonicContact NE-OE2 3.48Å; R498-E533 PolarHBondContact NE-OE2 2.89Å; R498-E533 VanDerWaalsContact NE-OE2 3.09Å; R498-E533 IonicContact NH2-OE2 3.54Å; R498-E533 PolarHBondContact NH2-OE2 2.93Å; V501-E533 HydrophobicContact CB-CG 4.15Å; V501-E533 HydrophobicContact CG2-CG 4.44Å; E529-E533 PolarHBondContact O-N 3.41Å; Y530-E533 PolarHBondContact O-N 3.05Å; E533-S535 PolarHBondContact O-N 3.47Å; E533-S535 VanDerWaalsContact O-N 3.15Å; E533-I536 PolarHBondContact O-N 2.87Å |
| 534 | S | 79.6 | Confident | 83.1 | Confident | 41 Ų | 41 | 39.7 Ų | 39.7 | 29% | 0.287 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.7 | -22.4 | 178.9 | -59.2 | 0 | 0 | 0 | 0 | 113 | Y530 F531 A532 I536 C537 A538 | Y530-S534 WeakPolarHBondContact CE1-OG 3.48Å; Y530-S534 VanDerWaalsContact O-CB 3.28Å; Y530-S534 WeakPolarHBondContact O-CB 3.39Å; Y530-S534 PolarHBondContact O-N 2.94Å; Y530-S534 PolarHBondContact O-OG 3.11Å; F531-S534 PolarHBondContact O-N 2.88Å; A532-S534 PolarHBondContact O-N 3.4Å; S534-I536 VanDerWaalsContact C-N 3.33Å; S534-I536 PolarHBondContact O-N 2.98Å; S534-C537 CarbonylContact O-C 3.58Å; S534-C537 VanDerWaalsContact O-C 3.29Å; S534-A538 VanDerWaalsContact O-CA 3.22Å; S534-A538 WeakPolarHBondContact O-CA 3.44Å; S534-A538 PolarHBondContact O-N 3.13Å; S534-A538 VanDerWaalsContact O-N 3.08Å |
| 535 | S | 80.8 | Confident | 82.7 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 8% | 0.084 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.1 | -23.2 | -179.8 | 81.2 | 0 | 0 | 0 | 0 | 114 | I490 F531 A532 E533 R967 | I490-S535 WeakPolarHBondContact CD1-OG 3.32Å; F531-S535 WeakPolarHBondContact O-CB 3.41Å; F531-S535 PolarHBondContact O-N 2.86Å; A532-S535 WeakPolarHBondContact O-CB 3.36Å; A532-S535 PolarHBondContact O-N 2.78Å; A532-S535 PolarHBondContact O-OG 2.68Å; E533-S535 PolarHBondContact O-N 3.47Å; E533-S535 VanDerWaalsContact O-N 3.15Å; S535-R967 PolarHBondContact O-NH1 3.14Å; S535-R967 PolarHBondContact O-NH2 3.26Å |
| 536 | I | 72.6 | Confident | 82.5 | Confident | 15 Ų | 15 | 36.1 Ų | 36.1 | 8% | 0.077 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.8 | -58 | 175.3 | -72 | -179.1 | 0 | 0 | 0 | 109.5 | T492 L495 P499 V501 E533 S534 R967 P1587 L1591 | T492-I536 HydrophobicContact CG2-CD1 3.99Å; L495-I536 HydrophobicContact CD2-CG2 4.35Å; P499-I536 HydrophobicContact CB-CD1 4.25Å; P499-I536 HydrophobicContact CB-CG2 4.41Å; V501-I536 HydrophobicContact CG2-CD1 3.4Å; V501-I536 VanDerWaalsContact CG2-CD1 3.4Å; V501-I536 HydrophobicContact CG2-CG1 3.97Å; E533-I536 PolarHBondContact O-N 2.87Å; S534-I536 VanDerWaalsContact C-N 3.33Å; S534-I536 PolarHBondContact O-N 2.98Å; I536-R967 PolarHBondContact O-NH2 2.92Å; I536-P1587 HydrophobicContact CG2-CB 3.81Å; I536-P1587 HydrophobicContact CG2-CG 3.87Å; I536-L1591 HydrophobicContact CG2-CD1 4.5Å |
| 537 | C | 66.8 | Low | 82.1 | Confident | 28 Ų | 28 | 35.3 Ų | 35.3 | 19% | 0.189 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 65.9 | 179 | -171.6 | 0 | 0 | 0 | 0 | 109.9 | S534 L539 L1591 | S534-C537 CarbonylContact O-C 3.58Å; S534-C537 VanDerWaalsContact O-C 3.29Å; C537-L539 VanDerWaalsContact C-N 3.32Å; C537-L539 PolarHBondContact O-N 3.17Å; C537-L1591 HydrophobicContact CB-CD1 3.67Å |
| 538 | A | 62.3 | Low | 81.6 | Confident | 17 Ų | 17 | 38.9 Ų | 38.9 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | trans | -68.1 | 90.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | S534 N540 Q544 | S534-A538 VanDerWaalsContact O-CA 3.22Å; S534-A538 WeakPolarHBondContact O-CA 3.44Å; S534-A538 PolarHBondContact O-N 3.13Å; S534-A538 VanDerWaalsContact O-N 3.08Å; A538-N540 PolarHBondContact O-N 3.35Å; A538-N540 VanDerWaalsContact O-N 3.09Å; A538-Q544 VanDerWaalsContact CB-NE2 3.34Å; A538-Q544 PolarHBondContact O-NE2 3.31Å | ||
| 539 | L | 66.1 | Low | 81.1 | Confident | 93 Ų | 93 | 39.9 Ų | 39.9 | 49% | 0.487 | 21% | 0.214 | S | C | . | . | trans | -67.4 | 5.3 | 168.9 | -60 | 176.7 | 0 | 0 | 0 | 113 | Q273 C537 | Q273-L539 WeakPolarHBondContact CB-O 3.23Å; Q273-L539 PolarHBondContact OE1-O 2.93Å; C537-L539 VanDerWaalsContact C-N 3.32Å; C537-L539 PolarHBondContact O-N 3.17Å | ||
| 540 | N | 77.8 | Confident | 81 | Confident | 41 Ų | 41 | 38.4 Ų | 38.4 | 22% | 0.219 | 21% | 0.211 | C | C | . | . | trans | -107.6 | 83.2 | -176.7 | -176.7 | -11.2 | 0 | 0 | 0 | 108.5 | Y330 A538 A542 Y543 | Y330-N540 WeakPolarHBondContact CE2-ND2 3.22Å; Y330-N540 VanDerWaalsContact OH-CG 3.31Å; Y330-N540 PolarHBondContact OH-ND2 3.02Å; Y330-N540 PolarHBondContact OH-OD1 3Å; A538-N540 PolarHBondContact O-N 3.35Å; A538-N540 VanDerWaalsContact O-N 3.09Å; N540-A542 VanDerWaalsContact C-N 3.32Å; N540-Y543 WeakPolarHBondContact OD1-CB 3.28Å; N540-Y543 PolarHBondContact OD1-N 2.75Å | ||
| 541 | E | 84.2 | Confident | 81 | Confident | 62 Ų | 62 | 37 Ų | 37 | 29% | 0.29 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -78.2 | -21.9 | -176.1 | -63.1 | 179.8 | -179.8 | 0 | 0 | 111.2 | Q273 Q544 R545 K1588 | Q273-E541 PolarHBondContact O-N 2.96Å; E541-Q544 PolarHBondContact O-N 3.24Å; E541-R545 WeakPolarHBondContact O-CB 3.46Å; E541-R545 WeakPolarHBondContact O-CG 3.4Å; E541-R545 PolarHBondContact O-N 3.09Å; E541-K1588 IonicContact OE1-NZ 3.26Å; E541-K1588 PolarHBondContact OE1-NZ 2.9Å |
| 542 | A | 89.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q273 R275 N540 Q544 R545 I546 | Q273-A542 PolarHBondContact O-N 3.07Å; R275-A542 VanDerWaalsContact O-CB 3.23Å; R275-A542 WeakPolarHBondContact O-CB 3.48Å; N540-A542 VanDerWaalsContact C-N 3.32Å; A542-Q544 VanDerWaalsContact C-N 3.3Å; A542-Q544 PolarHBondContact O-N 2.83Å; A542-R545 PolarHBondContact O-N 3.06Å; A542-I546 WeakPolarHBondContact O-CD1 3.33Å; A542-I546 VanDerWaalsContact O-CG1 3.3Å; A542-I546 WeakPolarHBondContact O-CG1 3.36Å; A542-I546 PolarHBondContact O-N 3.33Å |
| 543 | Y | 89.4 | Confident | 80.8 | Confident | 36 Ų | 36 | 39.4 Ų | 39.4 | 14% | 0.141 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 172.3 | 169.1 | -110.6 | 0 | 0 | 0 | 111.5 | Y330 P331 I474 F531 N540 I546 C547 | Y330-Y543 PolarHBondContact OH-N 3.21Å; P331-Y543 HydrophobicContact CB-CD2 3.79Å; P331-Y543 HydrophobicContact CB-CE2 4.17Å; P331-Y543 HydrophobicContact CB-CG 4.09Å; P331-Y543 HydrophobicContact CG-CD2 3.82Å; P331-Y543 HydrophobicContact CG-CE2 3.71Å; I474-Y543 HydrophobicContact CG2-CD2 3.72Å; I474-Y543 HydrophobicContact CG2-CE2 3.88Å; F531-Y543 HydrophobicContact CE2-CE1 4.29Å; F531-Y543 AromaticContact CZ-CE1 4Å; F531-Y543 HydrophobicContact CZ-CE1 4Å; F531-Y543 HydrophobicContact CZ-CE2 4.42Å; F531-Y543 AromaticContact CZ-CZ 3.81Å; N540-Y543 WeakPolarHBondContact OD1-CB 3.28Å; N540-Y543 PolarHBondContact OD1-N 2.75Å; Y543-I546 PolarHBondContact O-N 2.82Å; Y543-C547 WeakPolarHBondContact CE2-SG 3.21Å; Y543-C547 VanDerWaalsContact CZ-SG 3.56Å; Y543-C547 WeakPolarHBondContact O-CB 3.29Å; Y543-C547 PolarHBondContact O-N 3.35Å |
| 544 | Q | 84.9 | Confident | 81 | Confident | 71 Ų | 71 | 42.3 Ų | 42.3 | 33% | 0.332 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 177.7 | -62.6 | 172.8 | 24.6 | 0 | 0 | 112.2 | A538 E541 A542 I546 C547 S548 | A538-Q544 VanDerWaalsContact CB-NE2 3.34Å; A538-Q544 PolarHBondContact O-NE2 3.31Å; E541-Q544 PolarHBondContact O-N 3.24Å; A542-Q544 VanDerWaalsContact C-N 3.3Å; A542-Q544 PolarHBondContact O-N 2.83Å; Q544-I546 PolarHBondContact O-N 2.9Å; Q544-C547 PolarHBondContact O-N 2.87Å; Q544-S548 PolarHBondContact O-N 2.81Å; Q544-S548 PolarHBondContact O-OG 2.66Å |
| 545 | R | 84.8 | Confident | 81.4 | Confident | 80 Ų | 80 | 44.1 Ų | 44.1 | 30% | 0.302 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.3 | -45.9 | 172.8 | -82.8 | -177.2 | 178 | 169.1 | 8.9 | 112.1 | S274 E541 A542 S548 G549 V550 L555 I556 | S274-R545 VanDerWaalsContact CB-NH1 3.3Å; S274-R545 WeakPolarHBondContact O-CD 3.42Å; S274-R545 PolarHBondContact O-NH1 3.39Å; S274-R545 PolarHBondContact OG-NH1 3.13Å; S274-R545 PolarHBondContact OG-NH2 2.89Å; E541-R545 WeakPolarHBondContact O-CB 3.46Å; E541-R545 WeakPolarHBondContact O-CG 3.4Å; E541-R545 PolarHBondContact O-N 3.09Å; A542-R545 PolarHBondContact O-N 3.06Å; R545-S548 PolarHBondContact O-N 3.17Å; R545-S548 PolarHBondContact O-OG 2.75Å; R545-G549 PolarHBondContact O-N 3.24Å; R545-G549 VanDerWaalsContact O-N 3.14Å; R545-V550 HydrophobicContact CB-CB 4.06Å; R545-V550 WeakPolarHBondContact O-CB 3.47Å; R545-V550 PolarHBondContact O-N 3.07Å; R545-L555 PolarHBondContact NH1-O 3.13Å; R545-I556 HydrophobicContact CB-CG2 4.1Å |
| 546 | I | 87.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66 | -42.2 | 179 | -68.3 | 164 | 0 | 0 | 0 | 110.4 | L276 V471 I474 A542 Y543 Q544 S548 G549 Y551 I556 | L276-I546 HydrophobicContact CD2-CD1 3.96Å; L276-I546 HydrophobicContact CG-CD1 4.48Å; V471-I546 HydrophobicContact CG1-CG2 4.04Å; V471-I546 HydrophobicContact CG2-CD1 4.09Å; V471-I546 HydrophobicContact CG2-CG1 4.47Å; I474-I546 HydrophobicContact CB-CG2 4.17Å; I474-I546 HydrophobicContact CD1-CD1 3.54Å; I474-I546 HydrophobicContact CD1-CG2 4.38Å; I474-I546 HydrophobicContact CG2-CB 4.37Å; I474-I546 HydrophobicContact CG2-CG2 3.63Å; A542-I546 WeakPolarHBondContact O-CD1 3.33Å; A542-I546 VanDerWaalsContact O-CG1 3.3Å; A542-I546 WeakPolarHBondContact O-CG1 3.36Å; A542-I546 PolarHBondContact O-N 3.33Å; Y543-I546 PolarHBondContact O-N 2.82Å; Q544-I546 PolarHBondContact O-N 2.9Å; I546-S548 VanDerWaalsContact C-N 3.35Å; I546-S548 PolarHBondContact O-N 2.57Å; I546-G549 PolarHBondContact O-N 2.82Å; I546-G549 VanDerWaalsContact O-N 3.09Å; I546-Y551 HydrophobicContact CG2-CE1 4.14Å; I546-Y551 WeakPolarHBondContact O-CE1 3.42Å; I546-I556 HydrophobicContact CD1-CD1 3.88Å; I546-I556 HydrophobicContact CG1-CD1 3.79Å; I546-I556 HydrophobicContact CG1-CG2 4.18Å |
| 547 | C | 83.2 | Confident | 82.7 | Confident | 47 Ų | 47 | 42.9 Ų | 42.9 | 32% | 0.318 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68 | -25.8 | 174.9 | -78.8 | 0 | 0 | 0 | 0 | 114.6 | Y543 Q544 G549 | Y543-C547 WeakPolarHBondContact CE2-SG 3.21Å; Y543-C547 VanDerWaalsContact CZ-SG 3.56Å; Y543-C547 WeakPolarHBondContact O-CB 3.29Å; Y543-C547 PolarHBondContact O-N 3.35Å; Q544-C547 PolarHBondContact O-N 2.87Å; C547-G549 VanDerWaalsContact C-N 3.3Å |
| 548 | S | 80.9 | Confident | 83.9 | Confident | 84 Ų | 84 | 41.5 Ų | 41.5 | 59% | 0.587 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -83.5 | -5.4 | 170.7 | 66.6 | 0 | 0 | 0 | 0 | 113.5 | Q544 R545 I546 | Q544-S548 PolarHBondContact O-N 2.81Å; Q544-S548 PolarHBondContact O-OG 2.66Å; R545-S548 PolarHBondContact O-N 3.17Å; R545-S548 PolarHBondContact O-OG 2.75Å; I546-S548 VanDerWaalsContact C-N 3.35Å; I546-S548 PolarHBondContact O-N 2.57Å |
| 549 | G | 83.3 | Confident | 85.4 | Confident | 21 Ų | 21 | 41.8 Ų | 41.8 | 22% | 0.216 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | 23.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R545 I546 C547 | R545-G549 PolarHBondContact O-N 3.24Å; R545-G549 VanDerWaalsContact O-N 3.14Å; I546-G549 PolarHBondContact O-N 2.82Å; I546-G549 VanDerWaalsContact O-N 3.09Å; C547-G549 VanDerWaalsContact C-N 3.3Å |
| 550 | V | 84.5 | Confident | 86.5 | Confident | 47 Ų | 47 | 39.7 Ų | 39.7 | 29% | 0.285 | 21% | 0.212 | S | C | . | . | trans | -86.5 | 115.5 | 170.2 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | R545 L555 I556 | R545-V550 HydrophobicContact CB-CB 4.06Å; R545-V550 WeakPolarHBondContact O-CB 3.47Å; R545-V550 PolarHBondContact O-N 3.07Å; V550-L555 HydrophobicContact CG1-CB 4.16Å; V550-L555 HydrophobicContact CG1-CD1 3.84Å; V550-I556 HydrophobicContact CG1-CG2 4.4Å | ||
| 551 | Y | 86.3 | Confident | 87.1 | Confident | 37 Ų | 37 | 43.2 Ų | 43.2 | 15% | 0.145 | 22% | 0.223 | C | C | . | . | trans | -124.6 | 2.8 | -173.2 | -56.3 | -43.3 | 0 | 0 | 0 | 114.3 | K452 F453 Y458 V471 L475 I546 T553 | K452-Y551 HydrophobicContact CB-CD2 4.46Å; K452-Y551 HydrophobicContact CB-CE2 3.73Å; F453-Y551 HydrophobicContact CB-CD2 4.21Å; F453-Y551 HydrophobicContact CB-CE2 3.85Å; F453-Y551 HydrophobicContact CD2-CD1 4.33Å; F453-Y551 HydrophobicContact CD2-CD2 4.33Å; F453-Y551 HydrophobicContact CD2-CG 4.2Å; Y458-Y551 PolarHBondContact OH-O 3.11Å; V471-Y551 HydrophobicContact CG1-CD1 3.99Å; V471-Y551 HydrophobicContact CG1-CE1 4.19Å; L475-Y551 HydrophobicContact CD2-CE1 4.34Å; I546-Y551 HydrophobicContact CG2-CE1 4.14Å; I546-Y551 WeakPolarHBondContact O-CE1 3.42Å; Y551-T553 PolarHBondContact O-N 3.05Å | ||
| 552 | S | 83.8 | Confident | 87.2 | Confident | 35 Ų | 35 | 42 Ų | 42 | 25% | 0.245 | 22% | 0.216 | C | C | . | . | trans | -68 | 126.5 | 179.2 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | E554 L555 I556 | S552-E554 PolarHBondContact O-N 3.37Å; S552-E554 PolarHBondContact OG-N 2.88Å; S552-L555 PolarHBondContact O-N 2.81Å; S552-I556 VanDerWaalsContact O-CG1 3.3Å; S552-I556 WeakPolarHBondContact O-CG1 3.44Å; S552-I556 PolarHBondContact O-N 2.88Å | ||
| 553 | T | 86.8 | Confident | 87.3 | Confident | 29 Ų | 29 | 42.3 Ų | 42.3 | 18% | 0.178 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.7 | -31.3 | 174.4 | 47.2 | 0 | 0 | 0 | 0 | 112.1 | Y458 V467 Y551 L555 G557 W562 | Y458-T553 HydrophobicContact CD1-CG2 3.72Å; Y458-T553 HydrophobicContact CE1-CG2 3.61Å; V467-T553 HydrophobicContact CB-CG2 4.33Å; V467-T553 HydrophobicContact CG1-CG2 4.21Å; Y551-T553 PolarHBondContact O-N 3.05Å; T553-L555 PolarHBondContact O-N 3.38Å; T553-G557 WeakPolarHBondContact O-CA 3.13Å; T553-G557 PolarHBondContact O-N 3.35Å; T553-W562 HydrophobicContact CG2-CH2 4.36Å; T553-W562 HydrophobicContact CG2-CZ2 3.95Å |
| 554 | E | 86.5 | Confident | 87.2 | Confident | 92 Ų | 92 | 45.6 Ų | 45.6 | 43% | 0.43 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.5 | -26.8 | 172.6 | -58.7 | 178.3 | 147.3 | 0 | 0 | 113.3 | R275 S552 | R275-E554 VanDerWaalsContact CZ-O 3.26Å; R275-E554 PolarHBondContact NH1-O 3.07Å; R275-E554 PolarHBondContact NH2-O 2.95Å; S552-E554 PolarHBondContact O-N 3.37Å; S552-E554 PolarHBondContact OG-N 2.88Å |
| 555 | L | 86.6 | Confident | 87.2 | Confident | 80 Ų | 80 | 49.9 Ų | 49.9 | 42% | 0.419 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -106.9 | -28.5 | -174.3 | -63.7 | 178.6 | 0 | 0 | 0 | 114.6 | R545 V550 S552 T553 | R545-L555 PolarHBondContact NH1-O 3.13Å; V550-L555 HydrophobicContact CG1-CB 4.16Å; V550-L555 HydrophobicContact CG1-CD1 3.84Å; S552-L555 PolarHBondContact O-N 2.81Å; T553-L555 PolarHBondContact O-N 3.38Å |
| 556 | I | 90.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -115.9 | -13.3 | -179.7 | 60.7 | 160.3 | 0 | 0 | 0 | 113.6 | L276 V467 V471 R545 I546 V550 S552 | L276-I556 WeakPolarHBondContact CB-O 3.35Å; L276-I556 WeakPolarHBondContact CG-O 3.41Å; L276-I556 PolarHBondContact N-O 3.36Å; V467-I556 HydrophobicContact CG1-CD1 4.07Å; V467-I556 HydrophobicContact CG1-CG1 4.37Å; V471-I556 HydrophobicContact CG2-CD1 3.55Å; R545-I556 HydrophobicContact CB-CG2 4.1Å; I546-I556 HydrophobicContact CD1-CD1 3.88Å; I546-I556 HydrophobicContact CG1-CD1 3.79Å; I546-I556 HydrophobicContact CG1-CG2 4.18Å; V550-I556 HydrophobicContact CG1-CG2 4.4Å; S552-I556 VanDerWaalsContact O-CG1 3.3Å; S552-I556 WeakPolarHBondContact O-CG1 3.44Å; S552-I556 PolarHBondContact O-N 2.88Å |
| 557 | G | 90.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -72.7 | 150.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R275 T553 W562 | R275-G557 WeakPolarHBondContact CD-O 3.5Å; R275-G557 PolarHBondContact NH1-O 3.05Å; T553-G557 WeakPolarHBondContact O-CA 3.13Å; T553-G557 PolarHBondContact O-N 3.35Å; G557-W562 VanDerWaalsContact CA-CE3 3.49Å | ||
| 558 | D | 93.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -103.6 | -13.8 | -166.8 | 62.2 | -39 | 0 | 0 | 0 | 114.7 | P271 L276 I279 R470 Y563 | P271-D558 HydrophobicContact CG-CB 4.38Å; L276-D558 HydrophobicContact CB-CB 4.32Å; L276-D558 VanDerWaalsContact O-CB 3.28Å; L276-D558 WeakPolarHBondContact O-CB 3.48Å; I279-D558 PolarHBondContact N-OD2 3.05Å; R470-D558 IonicContact CZ-OD1 2.95Å; R470-D558 IonicContact CZ-OD2 2.78Å; R470-D558 IonicContact NH1-OD1 2.76Å; R470-D558 PolarHBondContact NH1-OD1 3.17Å; R470-D558 IonicContact NH1-OD2 2.73Å; R470-D558 PolarHBondContact NH1-OD2 3.48Å; R470-D558 IonicContact NH2-OD1 2.69Å; R470-D558 PolarHBondContact NH2-OD1 2.92Å; R470-D558 IonicContact NH2-OD2 3.48Å; R470-D558 PolarHBondContact NH2-OD2 3.39Å; D558-Y563 VanDerWaalsContact O-CE1 3.29Å; D558-Y563 WeakPolarHBondContact O-CE1 3.24Å; D558-Y563 PolarHBondContact O-OH 3.37Å | ||
| 559 | K | 92.5 | Very high | 88.1 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 10% | 0.096 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -79.1 | 136.9 | 179.5 | -49.1 | -70.1 | 165.2 | 145.5 | 0 | 111.8 | I279 D463 Y561 W562 Y563 | I279-K559 WeakPolarHBondContact O-CE 3.28Å; I279-K559 PolarHBondContact O-NZ 3.08Å; D463-K559 HydrophobicContact CB-CD 4.34Å; D463-K559 HydrophobicContact CB-CG 3.9Å; D463-K559 WeakPolarHBondContact OD1-CE 3.11Å; D463-K559 IonicContact OD1-NZ 3.61Å; D463-K559 PolarHBondContact OD1-NZ 3.48Å; K559-Y561 VanDerWaalsContact C-N 3.27Å; K559-Y561 HydrophobicContact CB-CD1 3.96Å; K559-Y561 HydrophobicContact CB-CE1 3.47Å; K559-Y561 VanDerWaalsContact CB-CE1 3.47Å; K559-Y561 HydrophobicContact CG-CE1 4.12Å; K559-Y561 PolarHBondContact O-N 3.02Å; K559-Y561 VanDerWaalsContact O-N 3.08Å; K559-W562 HydrophobicContact CB-CE3 3.7Å; K559-W562 HydrophobicContact CB-CZ3 3.74Å; K559-W562 HydrophobicContact CG-CE3 4.02Å; K559-W562 HydrophobicContact CG-CH2 4.15Å; K559-W562 HydrophobicContact CG-CZ3 3.49Å; K559-W562 VanDerWaalsContact CG-CZ3 3.49Å; K559-W562 PolarHBondContact O-N 2.96Å; K559-W562 VanDerWaalsContact O-N 3.1Å; K559-Y563 VanDerWaalsContact C-CE1 3.43Å; K559-Y563 WeakPolarHBondContact O-CD1 3.39Å; K559-Y563 WeakPolarHBondContact O-CE1 3.36Å |
| 560 | L | 90 | Very high | 88.4 | Confident | 49 Ų | 49 | 55.2 Ų | 55.2 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -42.2 | -46.8 | -176 | 168 | 65 | 0 | 0 | 0 | 114.5 | C267 A269 W562 Y563 K564 L567 | C267-L560 HydrophobicContact CB-CD2 3.85Å; C267-L560 WeakPolarHBondContact SG-CD2 3.38Å; A269-L560 HydrophobicContact CB-CD1 3.81Å; L560-W562 PolarHBondContact O-N 2.88Å; L560-W562 VanDerWaalsContact O-N 3.08Å; L560-Y563 CarbonylContact O-C 3.56Å; L560-Y563 PolarHBondContact O-N 3.35Å; L560-K564 HydrophobicContact CD1-CB 3.94Å; L560-K564 HydrophobicContact CD1-CG 4.17Å; L560-K564 HydrophobicContact CG-CB 4.3Å; L560-K564 PolarHBondContact O-N 3.24Å; L560-L567 HydrophobicContact CD1-CD1 3.9Å |
| 561 | Y | 89.4 | Confident | 88.6 | Confident | 115 Ų | 115 | 58.9 Ų | 58.9 | 45% | 0.451 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -64.8 | -17 | -171.3 | 60.9 | -98.7 | 0 | 0 | 0 | 113.8 | D463 K559 | D463-Y561 VanDerWaalsContact CB-OH 3.24Å; D463-Y561 WeakPolarHBondContact CB-OH 3.44Å; K559-Y561 VanDerWaalsContact C-N 3.27Å; K559-Y561 HydrophobicContact CB-CD1 3.96Å; K559-Y561 HydrophobicContact CB-CE1 3.47Å; K559-Y561 VanDerWaalsContact CB-CE1 3.47Å; K559-Y561 HydrophobicContact CG-CE1 4.12Å; K559-Y561 PolarHBondContact O-N 3.02Å; K559-Y561 VanDerWaalsContact O-N 3.08Å |
| 562 | W | 87.8 | Confident | 88.6 | Confident | 37 Ų | 37 | 59.5 Ų | 59.5 | 14% | 0.14 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -80.4 | -12.5 | 172.1 | -70.3 | -49.2 | 0 | 0 | 0 | 114.7 | D463 V467 T553 G557 K559 L560 | D463-W562 HydrophobicContact CB-CH2 4.15Å; V467-W562 HydrophobicContact CG2-CH2 3.69Å; V467-W562 HydrophobicContact CG2-CZ3 3.79Å; T553-W562 HydrophobicContact CG2-CH2 4.36Å; T553-W562 HydrophobicContact CG2-CZ2 3.95Å; G557-W562 VanDerWaalsContact CA-CE3 3.49Å; K559-W562 HydrophobicContact CB-CE3 3.7Å; K559-W562 HydrophobicContact CB-CZ3 3.74Å; K559-W562 HydrophobicContact CG-CE3 4.02Å; K559-W562 HydrophobicContact CG-CH2 4.15Å; K559-W562 HydrophobicContact CG-CZ3 3.49Å; K559-W562 VanDerWaalsContact CG-CZ3 3.49Å; K559-W562 PolarHBondContact O-N 2.96Å; K559-W562 VanDerWaalsContact O-N 3.1Å; L560-W562 PolarHBondContact O-N 2.88Å; L560-W562 VanDerWaalsContact O-N 3.08Å |
| 563 | Y | 91 | Very high | 88.5 | Confident | 7 Ų | 7 | 60.9 Ų | 60.9 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -141.5 | 2.3 | -178.5 | 56.6 | -86.4 | 0 | 0 | 0 | 115.8 | A269 P271 D558 K559 L560 N565 Q566 L567 | A269-Y563 HydrophobicContact CB-CE2 4.46Å; P271-Y563 HydrophobicContact CB-CE1 4.23Å; P271-Y563 WeakPolarHBondContact CD-OH 3.39Å; D558-Y563 VanDerWaalsContact O-CE1 3.29Å; D558-Y563 WeakPolarHBondContact O-CE1 3.24Å; D558-Y563 PolarHBondContact O-OH 3.37Å; K559-Y563 VanDerWaalsContact C-CE1 3.43Å; K559-Y563 WeakPolarHBondContact O-CD1 3.39Å; K559-Y563 WeakPolarHBondContact O-CE1 3.36Å; L560-Y563 CarbonylContact O-C 3.56Å; L560-Y563 PolarHBondContact O-N 3.35Å; Y563-N565 PolarHBondContact O-N 3.14Å; Y563-Q566 WeakPolarHBondContact O-CB 3.44Å; Y563-Q566 PolarHBondContact O-N 3.19Å; Y563-L567 HydrophobicContact CD2-CD1 3.84Å; Y563-L567 HydrophobicContact CD2-CD2 4.12Å; Y563-L567 HydrophobicContact CD2-CG 4.06Å; Y563-L567 HydrophobicContact CE2-CD1 3.95Å |
| 564 | K | 86.5 | Confident | 88.2 | Confident | 105 Ų | 105 | 59.8 Ų | 59.8 | 46% | 0.457 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -44.6 | -40.1 | 176.3 | -173.7 | -177.4 | -179.4 | -173.4 | 0 | 113 | Y254 L560 Q566 L567 | Y254-K564 WeakPolarHBondContact OH-CE 3.27Å; L560-K564 HydrophobicContact CD1-CB 3.94Å; L560-K564 HydrophobicContact CD1-CG 4.17Å; L560-K564 HydrophobicContact CG-CB 4.3Å; L560-K564 PolarHBondContact O-N 3.24Å; K564-Q566 PolarHBondContact O-N 3.49Å; K564-L567 PolarHBondContact O-N 3.29Å |
| 565 | N | 86.3 | Confident | 87.3 | Confident | 161 Ų | 161 | 57.5 Ų | 57.5 | 86% | 0.861 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -69.9 | -9.7 | -178.3 | -57.3 | -6.8 | 0 | 0 | 0 | 114.4 | Y563 | Y563-N565 PolarHBondContact O-N 3.14Š|
| 566 | Q | 86.6 | Confident | 85.9 | Confident | 136 Ų | 136 | 57.1 Ų | 57.1 | 64% | 0.636 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -102.5 | -7.6 | 178.4 | -61.7 | 175.3 | -29.4 | 0 | 0 | 112.2 | Y563 K564 | Y563-Q566 WeakPolarHBondContact O-CB 3.44Å; Y563-Q566 PolarHBondContact O-N 3.19Å; K564-Q566 PolarHBondContact O-N 3.49Å |
| 567 | L | 89.5 | Confident | 83.7 | Confident | 21 Ų | 21 | 62.8 Ų | 62.8 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -98.8 | 144.5 | -176.1 | -57.3 | 177.8 | 0 | 0 | 0 | 111.7 | G249 C252 A269 L560 Y563 K564 | G249-L567 VanDerWaalsContact C-CD2 3.44Å; C252-L567 HydrophobicContact CB-CD1 4.08Å; A269-L567 HydrophobicContact CB-CD1 3.63Å; L560-L567 HydrophobicContact CD1-CD1 3.9Å; Y563-L567 HydrophobicContact CD2-CD1 3.84Å; Y563-L567 HydrophobicContact CD2-CD2 4.12Å; Y563-L567 HydrophobicContact CD2-CG 4.06Å; Y563-L567 HydrophobicContact CE2-CD1 3.95Å; K564-L567 PolarHBondContact O-N 3.29Å |
| 568 | Q | 89.5 | Confident | 81.4 | Confident | 87 Ų | 87 | 68.4 Ų | 68.4 | 41% | 0.407 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 131.2 | 165.1 | 179.2 | 168 | 13 | 0 | 0 | 110.5 | C250 T251 C252 S712 | C250-Q568 PolarHBondContact O-N 2.8Å; T251-Q568 VanDerWaalsContact CA-O 3.27Å; T251-Q568 WeakPolarHBondContact CA-O 3.13Å; T251-Q568 HydrophobicContact CG2-CB 4.33Å; C252-Q568 PolarHBondContact N-O 3.24Å; Q568-S712 PolarHBondContact NE2-OG 3.34Å |
| 569 | P | 89.7 | Confident | 79.1 | Confident | 76 Ų | 76 | 70.1 Ų | 70.1 | 49% | 0.494 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 141.6 | 171.9 | 31.1 | -36 | 0 | 0 | 0 | 111.5 | Y254 | Y254-P569 HydrophobicContact CD2-CB 4.21Å; Y254-P569 HydrophobicContact CE2-CB 3.76Å |
| 570 | V | 88.5 | Confident | 76.5 | Confident | 24 Ų | 24 | 73.5 Ų | 73.5 | 15% | 0.145 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 102.7 | 171.3 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | T251 C252 V253 Y254 V710 | T251-V570 HydrophobicContact CG2-CG2 4.07Å; C252-V570 PolarHBondContact O-N 3.48Å; V253-V570 CarbonylContact C-O 3.58Å; V253-V570 VanDerWaalsContact CA-O 3.28Å; V253-V570 WeakPolarHBondContact CA-O 3.41Å; V253-V570 HydrophobicContact CG2-CB 4.32Å; Y254-V570 PolarHBondContact N-O 2.88Å; V570-V710 HydrophobicContact CG1-CG1 4.3Å |
| 571 | D | 88.5 | Confident | 73.9 | Confident | 124 Ų | 124 | 80.3 Ų | 80.3 | 66% | 0.663 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 127.5 | 178.5 | -56.4 | -59 | 0 | 0 | 0 | 110.3 | Y254 | Y254-D571 WeakPolarHBondContact CB-OD1 3.41Å; Y254-D571 WeakPolarHBondContact CD2-OD1 3.25Å |
| 572 | F | 87 | Confident | 71.3 | Confident | 49 Ų | 49 | 75.7 Ų | 75.7 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 101.8 | 178.9 | -168.8 | -92.7 | 0 | 0 | 0 | 109.9 | S242 A243 P244 V253 Y254 L255 S256 C574 | S242-F572 WeakPolarHBondContact O-CZ 3.38Å; A243-F572 HydrophobicContact CB-CD1 3.91Å; A243-F572 HydrophobicContact CB-CE1 3.85Å; P244-F572 HydrophobicContact CG-CD2 4.32Å; V253-F572 HydrophobicContact CG1-CB 4.18Å; Y254-F572 PolarHBondContact O-N 3.46Å; L255-F572 HydrophobicContact CD1-CD1 3.73Å; S256-F572 PolarHBondContact N-O 3Å; S256-F572 VanDerWaalsContact N-O 3.13Å; F572-C574 VanDerWaalsContact CE1-SG 3.59Å |
| 573 | D | 82.3 | Confident | 68.4 | Low | 65 Ų | 65 | 80.3 Ų | 80.3 | 35% | 0.348 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 121.7 | -177.8 | -146.2 | -34.5 | 0 | 0 | 0 | 112.2 | R239 S256 W575 | R239-D573 VanDerWaalsContact CZ-O 3.26Å; R239-D573 PolarHBondContact NE-O 3.23Å; R239-D573 PolarHBondContact NH2-O 2.93Å; S256-D573 VanDerWaalsContact CB-OD1 3.24Å; S256-D573 WeakPolarHBondContact CB-OD1 3.32Å; D573-W575 WeakPolarHBondContact OD1-CA 3.4Å; D573-W575 WeakPolarHBondContact OD1-CB 3.47Å; D573-W575 PolarHBondContact OD1-N 3.25Å |
| 574 | C | 79.2 | Confident | 65.3 | Low | 5 Ų | 5 | 86 Ų | 86 | 3% | 0.034 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -96.8 | -7.2 | 170.4 | -67.7 | 0 | 0 | 0 | 0 | 112.5 | R239 L240 L255 S256 F572 | R239-C574 HydrophobicContact CG-CB 4.46Å; L240-C574 HydrophobicContact CD2-CB 3.94Å; L240-C574 VanDerWaalsContact CD2-SG 3.58Å; L240-C574 HydrophobicContact CG-CB 4.26Å; L255-C574 VanDerWaalsContact CD1-SG 3.6Å; S256-C574 WeakPolarHBondContact O-CB 3.48Å; S256-C574 PolarHBondContact O-N 3.12Å; S256-C574 VanDerWaalsContact O-N 3.1Å; F572-C574 VanDerWaalsContact CE1-SG 3.59Å |
| 575 | W | 68.7 | Low | 62.6 | Low | 44 Ų | 44 | 86.2 Ų | 86.2 | 17% | 0.167 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -104.4 | 62.9 | -176.8 | -159.5 | -82.7 | 0 | 0 | 0 | 111.4 | W236 P259 D573 F579 L609 | W236-W575 AromaticContact NE1-CE3 3.99Å; P259-W575 HydrophobicContact CG-CD2 4.25Å; P259-W575 HydrophobicContact CG-CG 4.32Å; P259-W575 HydrophobicContact CG-CZ2 4.38Å; D573-W575 WeakPolarHBondContact OD1-CA 3.4Å; D573-W575 WeakPolarHBondContact OD1-CB 3.47Å; D573-W575 PolarHBondContact OD1-N 3.25Å; W575-F579 AromaticContact CE2-CD2 3.89Å; W575-F579 HydrophobicContact CH2-CD2 4.41Å; W575-F579 HydrophobicContact CH2-CE2 4.37Å; W575-F579 AromaticContact CZ2-CD2 3.8Å; W575-F579 HydrophobicContact CZ2-CD2 3.8Å; W575-F579 HydrophobicContact CZ2-CE2 4.21Å; W575-F579 HydrophobicContact CZ2-CG 4.21Å; W575-L609 HydrophobicContact CH2-CD1 3.74Å; W575-L609 HydrophobicContact CH2-CD2 4Å; W575-L609 HydrophobicContact CH2-CG 4.26Å; W575-L609 HydrophobicContact CZ2-CD1 3.73Å; W575-L609 HydrophobicContact CZ2-CD2 3.85Å; W575-L609 HydrophobicContact CZ2-CG 3.91Å |
| 576 | D | 55.9 | Low | 59.8 | Low | 72 Ų | 72 | 84.6 Ų | 84.6 | 39% | 0.385 | 44% | 0.442 | S | S | . | . | trans | -83.9 | 168.9 | -173.7 | -146.8 | -25.7 | 0 | 0 | 0 | 113.6 | R239 L578 | R239-D576 IonicContact CZ-OD2 2.96Å; R239-D576 IonicContact NH1-OD2 2.91Å; R239-D576 PolarHBondContact NH1-OD2 3.27Å; R239-D576 IonicContact NH2-OD2 3.69Å; R239-D576 PolarHBondContact NH2-OD2 2.99Å; D576-L578 PolarHBondContact O-N 3.17Å | ||
| 577 | K | 45.3 | Very low | 56.9 | Low | 119 Ų | 119 | 84 Ų | 84 | 52% | 0.517 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -58.8 | 0.2 | -165.6 | -63.6 | -179.9 | -179.1 | 176 | 0 | 117.3 | F579 D580 Y581 | K577-F579 PolarHBondContact O-N 2.79Å; K577-F579 VanDerWaalsContact O-N 3.11Å; K577-D580 HydrophobicContact CB-CB 4.5Å; K577-D580 PolarHBondContact O-N 2.64Å; K577-Y581 WeakPolarHBondContact O-CD2 3.37Å |
| 578 | L | 42.3 | Very low | 53.8 | Low | 118 Ų | 118 | 89.7 Ų | 89.7 | 62% | 0.618 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -55.1 | -27.6 | 172.5 | -127.4 | 83.7 | 0 | 0 | 0 | 112 | D576 | D576-L578 PolarHBondContact O-N 3.17Š|
| 579 | F | 45.2 | Very low | 50.9 | Low | 37 Ų | 37 | 92.6 Ų | 92.6 | 16% | 0.162 | 50% | 0.502 | C | S | . | . | G | 310 helix | trans | -92.9 | -13.4 | 177.9 | -60.7 | -63.3 | 0 | 0 | 0 | 114.9 | W575 K577 F613 | W575-F579 AromaticContact CE2-CD2 3.89Å; W575-F579 HydrophobicContact CH2-CD2 4.41Å; W575-F579 HydrophobicContact CH2-CE2 4.37Å; W575-F579 AromaticContact CZ2-CD2 3.8Å; W575-F579 HydrophobicContact CZ2-CD2 3.8Å; W575-F579 HydrophobicContact CZ2-CE2 4.21Å; W575-F579 HydrophobicContact CZ2-CG 4.21Å; K577-F579 PolarHBondContact O-N 2.79Å; K577-F579 VanDerWaalsContact O-N 3.11Å; F579-F613 HydrophobicContact CD1-CE2 4.34Å; F579-F613 HydrophobicContact CD1-CZ 4.36Å; F579-F613 HydrophobicContact CE1-CE1 4.01Å; F579-F613 AromaticContact CE1-CE2 3.83Å; F579-F613 HydrophobicContact CE1-CE2 3.83Å; F579-F613 AromaticContact CE1-CZ 3.45Å; F579-F613 HydrophobicContact CE1-CZ 3.45Å; F579-F613 VanDerWaalsContact CE1-CZ 3.45Å; F579-F613 HydrophobicContact CZ-CZ 4.04Å |
| 580 | D | 37.5 | Very low | 47.9 | Very low | 93 Ų | 93 | 94.2 Ų | 94.2 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -82.1 | -25.6 | -178.1 | -74.2 | -35.2 | 0 | 0 | 0 | 113.3 | K577 A582 N583 | K577-D580 HydrophobicContact CB-CB 4.5Å; K577-D580 PolarHBondContact O-N 2.64Å; D580-A582 PolarHBondContact O-N 3.16Å; D580-N583 PolarHBondContact O-N 2.87Å; D580-N583 VanDerWaalsContact O-N 3.08Å |
| 581 | Y | 34.8 | Very low | 45 | Very low | 192 Ų | 192 | 103.2 Ų | 103.2 | 75% | 0.753 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -62.4 | -6.6 | -178.6 | -85.4 | -75.4 | 0 | 0 | 0 | 115.1 | K577 N583 | K577-Y581 WeakPolarHBondContact O-CD2 3.37Å; Y581-N583 VanDerWaalsContact C-N 3.31Å |
| 582 | A | 34.4 | Very low | 42 | Very low | 18 Ų | 18 | 102.9 Ų | 102.9 | 15% | 0.149 | 56% | 0.555 | C | S | . | * | G | 310 helix | trans | -75.1 | -14.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D580 V584 A612 | D580-A582 PolarHBondContact O-N 3.16Å; A582-V584 VanDerWaalsContact C-N 3.32Å; A582-V584 PolarHBondContact O-N 3.46Å; A582-A612 VanDerWaalsContact CB-CA 3.5Å; A582-A612 HydrophobicContact CB-CB 3.5Å; A582-A612 VanDerWaalsContact CB-CB 3.5Å |
| 583 | N | 27.5 | Very low | 39.1 | Very low | 133 Ų | 133 | 107.2 Ų | 107.2 | 71% | 0.711 | 58% | 0.58 | S | S | * | * | trans | -90.7 | 31 | -172.3 | -72.8 | -35.4 | 0 | 0 | 0 | 114.8 | D580 Y581 | D580-N583 PolarHBondContact O-N 2.87Å; D580-N583 VanDerWaalsContact O-N 3.08Å; Y581-N583 VanDerWaalsContact C-N 3.31Å | ||
| 584 | V | 25.4 | Very low | 36.3 | Very low | 127 Ų | 127 | 112.8 Ų | 112.8 | 77% | 0.77 | 60% | 0.604 | S | S | * | * | trans | -113.4 | 89.9 | 172.6 | -173.6 | 0 | 0 | 0 | 0 | 110.3 | A582 | A582-V584 VanDerWaalsContact C-N 3.32Å; A582-V584 PolarHBondContact O-N 3.46Å | ||
| 585 | T | 30.3 | Very low | 33.7 | Very low | 109 Ų | 109 | 118.6 Ų | 118.6 | 67% | 0.669 | 65% | 0.645 | S | S | * | * | trans | -104.6 | 140.4 | 167 | 42.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 586 | P | 27.3 | Very low | 31.6 | Very low | 128 Ų | 128 | 122.1 Ų | 122.1 | 83% | 0.831 | 68% | 0.677 | S | S | * | * | trans | -72.2 | 146.9 | -179.3 | 29.9 | -34.9 | 0 | 0 | 0 | 111.7 | ||||
| 587 | T | 25.8 | Very low | 30.2 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 76% | 0.755 | 70% | 0.696 | S | S | * | * | trans | -77.4 | 127.7 | -176.7 | 46.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 588 | N | 25.7 | Very low | 29.1 | Very low | 140 Ų | 140 | 128.8 Ų | 128.8 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | 160.2 | 119.7 | 117.9 | -83.1 | -35.1 | 0 | 0 | 0 | 113.3 | |||||
| 589 | T | 27.8 | Very low | 28.2 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 91% | 0.914 | 73% | 0.725 | S | S | * | * | 178.2 | 147.3 | 105.9 | 29.2 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 590 | S | 25.8 | Very low | 27.1 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -106.1 | 142 | -178 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 591 | K | 29.3 | Very low | 26.5 | Very low | 213 Ų | 213 | 137.8 Ų | 137.8 | 93% | 0.926 | 77% | 0.772 | S | S | * | * | trans | -165.2 | 151.6 | 144.2 | -109 | 156.4 | -171.1 | 173.9 | 0 | 111.3 | ||||
| 592 | T | 24.9 | Very low | 26.1 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | trans | -116.2 | 137.8 | -165.7 | 50.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 593 | N | 25.1 | Very low | 25.8 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | 175.5 | 133.4 | 114.5 | -88 | -20.6 | 0 | 0 | 0 | 115 | |||||
| 594 | Q | 24.5 | Very low | 26.1 | Very low | 181 Ų | 181 | 135.7 Ų | 135.7 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | 31.6 | 109.8 | 142.6 | -56.3 | -177.2 | 3.1 | 0 | 0 | 120.6 | ||||
| 595 | S | 23.4 | Very low | 26.9 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | -164.3 | 157 | 119.3 | 51.8 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 596 | S | 25.8 | Very low | 27.2 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | -128.1 | 135.3 | -172.9 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 597 | P | 26.4 | Very low | 27.7 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | trans | -129.8 | 123 | 160.3 | 33.2 | -17.9 | 0 | 0 | 0 | 113.7 | ||||
| 598 | K | 22.3 | Very low | 28.1 | Very low | 209 Ų | 209 | 129.3 Ų | 129.3 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | trans | 3.3 | 121.3 | 155.2 | -61.8 | 168.8 | -178.5 | 173.5 | 0 | 117.9 | ||||
| 599 | L | 22.5 | Very low | 28.8 | Very low | 161 Ų | 161 | 124.2 Ų | 124.2 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | trans | -65.5 | 139.4 | 165.3 | -83.1 | 72.2 | 0 | 0 | 0 | 112 | L601 | L599-L601 HydrophobicContact CD2-CD1 4.46Š| ||
| 600 | S | 22.7 | Very low | 29.7 | Very low | 119 Ų | 119 | 118.4 Ų | 118.4 | 83% | 0.832 | 67% | 0.671 | S | S | * | * | trans | -114.7 | 125.7 | 144.2 | 51.8 | 0 | 0 | 0 | 0 | 107.8 | A602 | S600-A602 PolarHBondContact O-N 3.12Š| ||
| 601 | L | 24.6 | Very low | 30.5 | Very low | 156 Ų | 156 | 119 Ų | 119 | 82% | 0.817 | 66% | 0.662 | S | S | * | * | trans | -91.8 | 98 | -164.6 | -170.7 | 71.4 | 0 | 0 | 0 | 112 | L599 | L599-L601 HydrophobicContact CD2-CD1 4.46Š| ||
| 602 | A | 25.8 | Very low | 31 | Very low | 77 Ų | 77 | 109.5 Ų | 109.5 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -153.3 | 126 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S600 S604 | S600-A602 PolarHBondContact O-N 3.12Å; A602-S604 PolarHBondContact O-N 2.66Å |
| 603 | N | 29.8 | Very low | 31.8 | Very low | 152 Ų | 152 | 105.5 Ų | 105.5 | 81% | 0.813 | 60% | 0.596 | S | S | * | * | S | Bend | trans | 63.6 | 14.1 | 155.7 | -79.9 | -51 | 0 | 0 | 0 | 121 | ||
| 604 | S | 32.9 | Very low | 32.9 | Very low | 71 Ų | 71 | 103.2 Ų | 103.2 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | trans | -66 | -44.2 | 178.2 | 45.4 | 0 | 0 | 0 | 0 | 115.3 | A602 L606 S607 | A602-S604 PolarHBondContact O-N 2.66Å; S604-L606 PolarHBondContact O-N 3.09Å; S604-S607 VanDerWaalsContact O-CB 3.24Å; S604-S607 WeakPolarHBondContact O-CB 3.23Å; S604-S607 PolarHBondContact O-N 3.43Å | ||
| 605 | N | 41.7 | Very low | 33.8 | Very low | 95 Ų | 95 | 97.6 Ų | 97.6 | 51% | 0.508 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.1 | -18.9 | -152.1 | -64.3 | 5.8 | 0 | 0 | 0 | 115.8 | L262 S607 | L262-N605 HydrophobicContact CD1-CB 4.08Å; N605-S607 PolarHBondContact O-N 3.04Å |
| 606 | L | 37.8 | Very low | 34.6 | Very low | 53 Ų | 53 | 93.4 Ų | 93.4 | 28% | 0.277 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.7 | -5.6 | 172.1 | -104.1 | 154.1 | 0 | 0 | 0 | 113.1 | K195 S604 L609 F610 | K195-L606 HydrophobicContact CD-CD1 3.97Å; K195-L606 HydrophobicContact CD-CD2 4.4Å; S604-L606 PolarHBondContact O-N 3.09Å; L606-L609 HydrophobicContact CD2-CB 4.16Å; L606-L609 HydrophobicContact CD2-CD1 3.65Å; L606-F610 HydrophobicContact CB-CE2 4.37Å; L606-F610 HydrophobicContact CD2-CD2 4.5Å; L606-F610 HydrophobicContact CD2-CE2 3.69Å; L606-F610 HydrophobicContact CD2-CZ 4.02Å; L606-F610 WeakPolarHBondContact O-CD2 3.34Å; L606-F610 PolarHBondContact O-N 2.96Å |
| 607 | S | 36.1 | Very low | 35.5 | Very low | 72 Ų | 72 | 90.9 Ų | 90.9 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.9 | -38.1 | 176.4 | -166 | 0 | 0 | 0 | 0 | 113.1 | S604 N605 L609 F610 Q611 | S604-S607 VanDerWaalsContact O-CB 3.24Å; S604-S607 WeakPolarHBondContact O-CB 3.23Å; S604-S607 PolarHBondContact O-N 3.43Å; N605-S607 PolarHBondContact O-N 3.04Å; S607-L609 VanDerWaalsContact C-N 3.35Å; S607-L609 PolarHBondContact O-N 3.17Å; S607-F610 PolarHBondContact O-N 3.47Å; S607-Q611 WeakPolarHBondContact O-CG 3.36Å; S607-Q611 PolarHBondContact O-N 3.25Å |
| 608 | M | 34.7 | Very low | 36.3 | Very low | 132 Ų | 132 | 88.1 Ų | 88.1 | 65% | 0.65 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.7 | -40.1 | 179.5 | -69 | -172.1 | -67.7 | 0 | 0 | 111.6 | F610 Q611 A612 | M608-F610 VanDerWaalsContact C-N 3.25Å; M608-F610 PolarHBondContact O-N 3.22Å; M608-Q611 WeakPolarHBondContact O-CB 3.34Å; M608-Q611 PolarHBondContact O-N 3.08Å; M608-Q611 VanDerWaalsContact O-N 3.13Å; M608-A612 PolarHBondContact O-N 2.74Å |
| 609 | L | 40 | Very low | 37.2 | Very low | 33 Ų | 33 | 82.6 Ų | 82.6 | 17% | 0.173 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -57.4 | -39.8 | 175.8 | -142.3 | 172.8 | 0 | 0 | 0 | 111.2 | W575 L606 S607 A612 F613 | W575-L609 HydrophobicContact CH2-CD1 3.74Å; W575-L609 HydrophobicContact CH2-CD2 4Å; W575-L609 HydrophobicContact CH2-CG 4.26Å; W575-L609 HydrophobicContact CZ2-CD1 3.73Å; W575-L609 HydrophobicContact CZ2-CD2 3.85Å; W575-L609 HydrophobicContact CZ2-CG 3.91Å; L606-L609 HydrophobicContact CD2-CB 4.16Å; L606-L609 HydrophobicContact CD2-CD1 3.65Å; S607-L609 VanDerWaalsContact C-N 3.35Å; S607-L609 PolarHBondContact O-N 3.17Å; L609-A612 WeakPolarHBondContact O-CB 3.43Å; L609-A612 PolarHBondContact O-N 3.14Å; L609-F613 HydrophobicContact CD2-CD2 3.94Å; L609-F613 HydrophobicContact CD2-CE2 3.63Å; L609-F613 WeakPolarHBondContact O-CD2 3.17Å; L609-F613 PolarHBondContact O-N 3.46Å |
| 610 | F | 47.7 | Very low | 37.9 | Very low | 28 Ų | 28 | 78.3 Ų | 78.3 | 12% | 0.123 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -84.8 | -20.1 | 176.6 | -61.8 | -54.9 | 0 | 0 | 0 | 114.8 | K195 L196 L199 L606 S607 M608 A612 F613 E614 | K195-F610 HydrophobicContact CB-CE2 4.43Å; K195-F610 HydrophobicContact CB-CZ 4.12Å; K195-F610 HydrophobicContact CD-CE2 3.72Å; K195-F610 HydrophobicContact CD-CZ 4.18Å; K195-F610 HydrophobicContact CG-CE2 3.7Å; K195-F610 HydrophobicContact CG-CZ 3.87Å; L196-F610 HydrophobicContact CD2-CE1 4.23Å; L199-F610 HydrophobicContact CD1-CB 4.23Å; L199-F610 HydrophobicContact CD1-CD1 3.17Å; L199-F610 HydrophobicContact CD1-CD2 3.85Å; L199-F610 HydrophobicContact CD1-CE1 3.34Å; L199-F610 HydrophobicContact CD1-CE2 3.99Å; L199-F610 HydrophobicContact CD1-CG 3.46Å; L199-F610 VanDerWaalsContact CD1-CG 3.46Å; L199-F610 HydrophobicContact CD1-CZ 3.76Å; L606-F610 HydrophobicContact CB-CE2 4.37Å; L606-F610 HydrophobicContact CD2-CD2 4.5Å; L606-F610 HydrophobicContact CD2-CE2 3.69Å; L606-F610 HydrophobicContact CD2-CZ 4.02Å; L606-F610 WeakPolarHBondContact O-CD2 3.34Å; L606-F610 PolarHBondContact O-N 2.96Å; S607-F610 PolarHBondContact O-N 3.47Å; M608-F610 VanDerWaalsContact C-N 3.25Å; M608-F610 PolarHBondContact O-N 3.22Å; F610-A612 VanDerWaalsContact C-N 3.28Å; F610-F613 AromaticContact CD1-CD2 3.79Å; F610-F613 HydrophobicContact CD1-CD2 3.79Å; F610-F613 HydrophobicContact CD1-CE2 4.48Å; F610-F613 HydrophobicContact CD1-CG 4.46Å; F610-F613 HydrophobicContact CE1-CD2 4.13Å; F610-F613 HydrophobicContact CE1-CE2 4.38Å; F610-F613 PolarHBondContact O-N 3.44Å; F610-E614 WeakPolarHBondContact O-CB 3.38Å; F610-E614 WeakPolarHBondContact O-CG 3.42Å; F610-E614 PolarHBondContact O-N 2.94Å |
| 611 | Q | 41.7 | Very low | 38.9 | Very low | 121 Ų | 121 | 76.4 Ų | 76.4 | 57% | 0.565 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.4 | -37.7 | 163.2 | -74.8 | 171.1 | -60.6 | 0 | 0 | 110.4 | S607 M608 E614 L615 | S607-Q611 WeakPolarHBondContact O-CG 3.36Å; S607-Q611 PolarHBondContact O-N 3.25Å; M608-Q611 WeakPolarHBondContact O-CB 3.34Å; M608-Q611 PolarHBondContact O-N 3.08Å; M608-Q611 VanDerWaalsContact O-N 3.13Å; Q611-E614 PolarHBondContact O-N 2.91Å; Q611-L615 WeakPolarHBondContact O-CB 3.41Å; Q611-L615 PolarHBondContact O-N 3.28Å |
| 612 | A | 40.3 | Very low | 39.7 | Very low | 14 Ų | 14 | 79.6 Ų | 79.6 | 12% | 0.116 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62 | -47.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A582 M608 L609 F610 L615 A616 | A582-A612 VanDerWaalsContact CB-CA 3.5Å; A582-A612 HydrophobicContact CB-CB 3.5Å; A582-A612 VanDerWaalsContact CB-CB 3.5Å; M608-A612 PolarHBondContact O-N 2.74Å; L609-A612 WeakPolarHBondContact O-CB 3.43Å; L609-A612 PolarHBondContact O-N 3.14Å; F610-A612 VanDerWaalsContact C-N 3.28Å; A612-L615 PolarHBondContact O-N 2.97Å; A612-A616 WeakPolarHBondContact O-CB 3.43Å; A612-A616 PolarHBondContact O-N 2.75Å |
| 613 | F | 42.8 | Very low | 40 | Very low | 33 Ų | 33 | 86.5 Ų | 86.5 | 15% | 0.145 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 174.5 | -84.1 | -77.7 | 0 | 0 | 0 | 113 | L196 Q232 F579 L609 F610 K617 | L196-F613 HydrophobicContact CD2-CZ 4.43Å; Q232-F613 VanDerWaalsContact OE1-CE1 3.23Å; F579-F613 HydrophobicContact CD1-CE2 4.34Å; F579-F613 HydrophobicContact CD1-CZ 4.36Å; F579-F613 HydrophobicContact CE1-CE1 4.01Å; F579-F613 AromaticContact CE1-CE2 3.83Å; F579-F613 HydrophobicContact CE1-CE2 3.83Å; F579-F613 AromaticContact CE1-CZ 3.45Å; F579-F613 HydrophobicContact CE1-CZ 3.45Å; F579-F613 VanDerWaalsContact CE1-CZ 3.45Å; F579-F613 HydrophobicContact CZ-CZ 4.04Å; L609-F613 HydrophobicContact CD2-CD2 3.94Å; L609-F613 HydrophobicContact CD2-CE2 3.63Å; L609-F613 WeakPolarHBondContact O-CD2 3.17Å; L609-F613 PolarHBondContact O-N 3.46Å; F610-F613 AromaticContact CD1-CD2 3.79Å; F610-F613 HydrophobicContact CD1-CD2 3.79Å; F610-F613 HydrophobicContact CD1-CE2 4.48Å; F610-F613 HydrophobicContact CD1-CG 4.46Å; F610-F613 HydrophobicContact CE1-CD2 4.13Å; F610-F613 HydrophobicContact CE1-CE2 4.38Å; F610-F613 PolarHBondContact O-N 3.44Å; F613-K617 WeakPolarHBondContact O-CB 3.42Å; F613-K617 PolarHBondContact O-N 2.95Å |
| 614 | E | 46.8 | Very low | 40.2 | Very low | 92 Ų | 92 | 83.5 Ų | 83.5 | 43% | 0.43 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.3 | -34.2 | 178.9 | -74.3 | -66.1 | 138.5 | 0 | 0 | 112.7 | F610 Q611 K617 S618 | F610-E614 WeakPolarHBondContact O-CB 3.38Å; F610-E614 WeakPolarHBondContact O-CG 3.42Å; F610-E614 PolarHBondContact O-N 2.94Å; Q611-E614 PolarHBondContact O-N 2.91Å; E614-K617 WeakPolarHBondContact O-CB 3.3Å; E614-K617 IonicContact OE1-NZ 3.69Å; E614-K617 PolarHBondContact OE1-NZ 3.25Å; E614-K617 WeakPolarHBondContact OE2-CD 3.36Å; E614-K617 IonicContact OE2-NZ 2.67Å; E614-K617 PolarHBondContact OE2-NZ 3.36Å; E614-S618 WeakPolarHBondContact O-CB 3.44Å; E614-S618 PolarHBondContact O-N 3.46Å |
| 615 | L | 43.4 | Very low | 40 | Very low | 63 Ų | 63 | 84.9 Ų | 84.9 | 33% | 0.33 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -73.2 | -42.7 | 178.3 | -153.8 | 164.7 | 0 | 0 | 0 | 110.5 | Q611 A612 K617 S618 I619 | Q611-L615 WeakPolarHBondContact O-CB 3.41Å; Q611-L615 PolarHBondContact O-N 3.28Å; A612-L615 PolarHBondContact O-N 2.97Å; L615-K617 PolarHBondContact O-N 3.07Å; L615-S618 WeakPolarHBondContact O-CB 3.35Å; L615-S618 PolarHBondContact O-N 2.93Å; L615-S618 VanDerWaalsContact O-N 3.09Å; L615-S618 PolarHBondContact O-OG 2.92Å; L615-I619 HydrophobicContact CD2-CD1 3.53Å; L615-I619 HydrophobicContact CD2-CG1 4.11Å; L615-I619 WeakPolarHBondContact O-CG1 3.07Å; L615-I619 PolarHBondContact O-N 2.81Å |
| 616 | A | 40.4 | Very low | 39.4 | Very low | 40 Ų | 40 | 83.7 Ų | 83.7 | 33% | 0.331 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A612 S618 I619 I620 | A612-A616 WeakPolarHBondContact O-CB 3.43Å; A612-A616 PolarHBondContact O-N 2.75Å; A616-S618 VanDerWaalsContact C-N 3.29Å; A616-S618 PolarHBondContact O-N 2.8Å; A616-I619 PolarHBondContact O-N 2.94Å; A616-I619 VanDerWaalsContact O-N 3.15Å; A616-I620 WeakPolarHBondContact O-CG1 3.45Å; A616-I620 PolarHBondContact O-N 3.4Å |
| 617 | K | 44.5 | Very low | 39 | Very low | 65 Ų | 65 | 88.8 Ų | 88.8 | 28% | 0.283 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -56.2 | -39.2 | 171.4 | 166.4 | -176.4 | 175.3 | -151.6 | 0 | 112.6 | P225 F613 E614 L615 N621 | P225-K617 HydrophobicContact CB-CB 4.39Å; P225-K617 HydrophobicContact CB-CD 3.79Å; P225-K617 HydrophobicContact CB-CG 3.76Å; P225-K617 HydrophobicContact CG-CD 4.12Å; P225-K617 HydrophobicContact CG-CG 4.23Å; F613-K617 WeakPolarHBondContact O-CB 3.42Å; F613-K617 PolarHBondContact O-N 2.95Å; E614-K617 WeakPolarHBondContact O-CB 3.3Å; E614-K617 IonicContact OE1-NZ 3.69Å; E614-K617 PolarHBondContact OE1-NZ 3.25Å; E614-K617 WeakPolarHBondContact OE2-CD 3.36Å; E614-K617 IonicContact OE2-NZ 2.67Å; E614-K617 PolarHBondContact OE2-NZ 3.36Å; L615-K617 PolarHBondContact O-N 3.07Å; K617-N621 WeakPolarHBondContact O-CB 3.47Å; K617-N621 PolarHBondContact O-N 3.4Å |
| 618 | S | 44.3 | Very low | 38.9 | Very low | 64 Ų | 64 | 91.9 Ų | 91.9 | 45% | 0.448 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 175.8 | 83.5 | 0 | 0 | 0 | 0 | 112.6 | E614 L615 A616 R622 | E614-S618 WeakPolarHBondContact O-CB 3.44Å; E614-S618 PolarHBondContact O-N 3.46Å; L615-S618 WeakPolarHBondContact O-CB 3.35Å; L615-S618 PolarHBondContact O-N 2.93Å; L615-S618 VanDerWaalsContact O-N 3.09Å; L615-S618 PolarHBondContact O-OG 2.92Å; A616-S618 VanDerWaalsContact C-N 3.29Å; A616-S618 PolarHBondContact O-N 2.8Å; S618-R622 WeakPolarHBondContact O-CB 3.19Å; S618-R622 PolarHBondContact O-N 3.45Å; S618-R622 VanDerWaalsContact O-N 3.1Å |
| 619 | I | 40.6 | Very low | 38.5 | Very low | 93 Ų | 93 | 92.4 Ų | 92.4 | 48% | 0.477 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.9 | -42.4 | 177.9 | -69 | 167.2 | 0 | 0 | 0 | 110.8 | L615 A616 R622 R623 | L615-I619 HydrophobicContact CD2-CD1 3.53Å; L615-I619 HydrophobicContact CD2-CG1 4.11Å; L615-I619 WeakPolarHBondContact O-CG1 3.07Å; L615-I619 PolarHBondContact O-N 2.81Å; A616-I619 PolarHBondContact O-N 2.94Å; A616-I619 VanDerWaalsContact O-N 3.15Å; I619-R622 PolarHBondContact O-N 2.92Å; I619-R623 PolarHBondContact O-N 3.14Å |
| 620 | I | 38.2 | Very low | 37.9 | Very low | 71 Ų | 71 | 96.3 Ų | 96.3 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -49.6 | 177.1 | -67.5 | 164.4 | 0 | 0 | 0 | 110.4 | E228 A616 R622 R623 C624 | E228-I620 HydrophobicContact CG-CD1 4.43Å; A616-I620 WeakPolarHBondContact O-CG1 3.45Å; A616-I620 PolarHBondContact O-N 3.4Å; I620-R622 PolarHBondContact O-N 3.42Å; I620-R623 PolarHBondContact O-N 3.06Å; I620-C624 PolarHBondContact O-N 3.33Å |
| 621 | N | 43 | Very low | 36.9 | Very low | 79 Ų | 79 | 102.3 Ų | 102.3 | 42% | 0.422 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.5 | -33.1 | 176.5 | -76.8 | -3.3 | 0 | 0 | 0 | 112.7 | K617 R623 S625 | K617-N621 WeakPolarHBondContact O-CB 3.47Å; K617-N621 PolarHBondContact O-N 3.4Å; N621-R623 VanDerWaalsContact C-N 3.27Å; N621-R623 PolarHBondContact O-N 3.38Å; N621-S625 PolarHBondContact O-OG 3.15Å |
| 622 | R | 41.9 | Very low | 36.2 | Very low | 224 Ų | 224 | 103 Ų | 103 | 85% | 0.845 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -10.2 | 178 | -151.5 | 174.5 | -165.8 | 176.6 | 3.7 | 113.8 | S618 I619 I620 | S618-R622 WeakPolarHBondContact O-CB 3.19Å; S618-R622 PolarHBondContact O-N 3.45Å; S618-R622 VanDerWaalsContact O-N 3.1Å; I619-R622 PolarHBondContact O-N 2.92Å; I620-R622 PolarHBondContact O-N 3.42Å |
| 623 | R | 32.2 | Very low | 35.7 | Very low | 221 Ų | 221 | 110 Ų | 110 | 83% | 0.834 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -20.2 | 175.1 | -119.3 | 178.1 | -174.5 | 167.5 | 2.2 | 113.7 | I619 I620 N621 | I619-R623 PolarHBondContact O-N 3.14Å; I620-R623 PolarHBondContact O-N 3.06Å; N621-R623 VanDerWaalsContact C-N 3.27Å; N621-R623 PolarHBondContact O-N 3.38Å |
| 624 | C | 33.1 | Very low | 34.9 | Very low | 90 Ų | 90 | 113.5 Ų | 113.5 | 61% | 0.608 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -98.6 | 10.3 | -177.8 | -57.5 | 0 | 0 | 0 | 0 | 114.1 | I620 | I620-C624 PolarHBondContact O-N 3.33Š|
| 625 | S | 29.1 | Very low | 34 | Very low | 100 Ų | 100 | 116 Ų | 116 | 70% | 0.699 | 62% | 0.624 | S | S | * | * | trans | -115.9 | 98.7 | 177.2 | -53.1 | 0 | 0 | 0 | 0 | 109 | N621 | N621-S625 PolarHBondContact O-OG 3.15Š| ||
| 626 | G | 27.8 | Very low | 33.4 | Very low | 70 Ų | 70 | 117.8 Ų | 117.8 | 72% | 0.722 | 64% | 0.641 | S | S | * | * | trans | -161.2 | 49 | -164.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 627 | D | 31 | Very low | 32.8 | Very low | 160 Ų | 160 | 122.4 Ų | 122.4 | 86% | 0.856 | 66% | 0.659 | S | S | * | * | trans | -104.3 | 94 | 168.1 | -78 | -51.1 | 0 | 0 | 0 | 111.6 | ||||
| 628 | I | 32.1 | Very low | 32.1 | Very low | 136 Ų | 136 | 125.3 Ų | 125.3 | 70% | 0.697 | 68% | 0.677 | S | S | * | * | 39.1 | 119 | 129.6 | -59.1 | 172.5 | 0 | 0 | 0 | 119.1 | |||||
| 629 | N | 27.1 | Very low | 31.3 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 77% | 0.765 | 69% | 0.688 | S | S | * | * | trans | 30.3 | 146.6 | 133.7 | -47.6 | -9.9 | 0 | 0 | 0 | 120.5 | ||||
| 630 | T | 27.9 | Very low | 30.7 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 71% | 0.712 | 70% | 0.699 | S | S | * | * | cis | -153 | 176.3 | -3.5 | 13.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 631 | E | 27 | Very low | 30.1 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | cis | -169.4 | 145.3 | 40.8 | -145.8 | 139.8 | -100.8 | 0 | 0 | 111.5 | ||||
| 632 | I | 27 | Very low | 29.5 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | trans | 27.4 | 126 | 141.1 | -58.4 | 173.2 | 0 | 0 | 0 | 120.8 | T634 | I632-T634 HydrophobicContact CG2-CG2 4.4Š| ||
| 633 | D | 28.5 | Very low | 28.6 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 87% | 0.866 | 72% | 0.718 | S | S | * | * | -151.9 | 158.7 | 119.4 | -119.9 | -19.7 | 0 | 0 | 0 | 111.1 | |||||
| 634 | T | 26.3 | Very low | 28.2 | Very low | 106 Ų | 106 | 126 Ų | 126 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | trans | -122.3 | 179.5 | -159.1 | 55.1 | 0 | 0 | 0 | 0 | 116.7 | I632 | I632-T634 HydrophobicContact CG2-CG2 4.4Š| ||
| 635 | D | 27.8 | Very low | 27.7 | Very low | 146 Ų | 146 | 125.6 Ų | 125.6 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | trans | 75.6 | 140.5 | 174.9 | -54 | -22.2 | 0 | 0 | 0 | 116.2 | ||||
| 636 | S | 31.2 | Very low | 27.4 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | cis | -140.9 | 132.5 | 9.3 | 65.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 637 | I | 28.5 | Very low | 27.3 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 70% | 0.703 | 73% | 0.725 | S | S | * | * | 53.4 | 117.1 | 97 | -57.6 | 169.8 | 0 | 0 | 0 | 111.9 | |||||
| 638 | N | 29.3 | Very low | 27.1 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | -164 | 146.9 | 53.8 | -131.6 | -10.4 | 0 | 0 | 0 | 113.1 | |||||
| 639 | N | 27.2 | Very low | 26.7 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 67% | 0.674 | 72% | 0.722 | S | S | * | * | trans | 54.1 | 147.9 | 149.4 | -62.1 | -0.3 | 0 | 0 | 0 | 121.6 | ||||
| 640 | D | 28 | Very low | 26.6 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | cis | -140 | 136.9 | 15.1 | -113.9 | -51.8 | 0 | 0 | 0 | 114.7 | ||||
| 641 | T | 25.9 | Very low | 26.5 | Very low | 104 Ų | 104 | 127.5 Ų | 127.5 | 64% | 0.638 | 73% | 0.727 | S | S | * | * | trans | 14.9 | 125.6 | 138.8 | -28.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 642 | I | 29.8 | Very low | 26.5 | Very low | 151 Ų | 151 | 127.1 Ų | 127.1 | 77% | 0.774 | 73% | 0.73 | S | S | * | * | 169.6 | 137.5 | 105 | -87.3 | 175.4 | 0 | 0 | 0 | 106.8 | |||||
| 643 | S | 22.9 | Very low | 26.3 | Very low | 86 Ų | 86 | 132 Ų | 132 | 60% | 0.601 | 74% | 0.741 | S | S | * | * | cis | 86.9 | 126 | 20.6 | 79.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 644 | L | 24.8 | Very low | 26.1 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | cis | -158 | 176.8 | 4.8 | -115.1 | 162.2 | 0 | 0 | 0 | 109.9 | ||||
| 645 | S | 21.9 | Very low | 25.9 | Very low | 83 Ų | 83 | 131.2 Ų | 131.2 | 58% | 0.58 | 75% | 0.748 | S | S | * | * | trans | -46 | 154.1 | 178.2 | 54.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 646 | N | 22.8 | Very low | 25.7 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | 63.8 | 146.2 | 148.9 | -58.1 | 10.6 | 0 | 0 | 0 | 117.9 | ||||
| 647 | D | 25.5 | Very low | 25.4 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | cis | -159.9 | 175.4 | 31.3 | -132.2 | -38.8 | 0 | 0 | 0 | 114.7 | ||||
| 648 | A | 27 | Very low | 25.2 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 65% | 0.653 | 75% | 0.753 | S | S | * | * | trans | 62.3 | 112.8 | 155.8 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 649 | Q | 23.6 | Very low | 25 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | 46.6 | 123.6 | 132.5 | -53.1 | 179.5 | -0.3 | 0 | 0 | 120.4 | ||||
| 650 | T | 25.3 | Very low | 24.9 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | -177.8 | 162.4 | 77.6 | 30.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 651 | G | 27 | Very low | 24.6 | Very low | 68 Ų | 68 | 138.8 Ų | 138.8 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | 110.8 | 78.9 | 160 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 652 | D | 25.3 | Very low | 24.6 | Very low | 145 Ų | 145 | 139 Ų | 139 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | trans | 30.4 | 112.4 | 144.4 | -48.6 | -23.8 | 0 | 0 | 0 | 120.5 | ||||
| 653 | Y | 24.6 | Very low | 24.5 | Very low | 237 Ų | 237 | 139.8 Ų | 139.8 | 93% | 0.929 | 77% | 0.768 | S | S | * | * | 178.2 | 73.1 | 116 | -98.8 | -68.7 | 0 | 0 | 0 | 110.8 | |||||
| 654 | I | 23 | Very low | 24.6 | Very low | 182 Ų | 182 | 141 Ų | 141 | 93% | 0.933 | 78% | 0.776 | S | S | * | * | trans | -123.2 | 115.6 | 166.9 | -65.7 | 177.7 | 0 | 0 | 0 | 107.3 | ||||
| 655 | G | 23.3 | Very low | 24.6 | Very low | 70 Ų | 70 | 140.6 Ų | 140.6 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | 174.5 | 68.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 656 | M | 23.7 | Very low | 24.9 | Very low | 160 Ų | 160 | 142 Ų | 142 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -170.5 | 160.3 | 142.6 | -105.8 | 177.3 | 79.4 | 0 | 0 | 110 | ||
| 657 | F | 24.5 | Very low | 24.9 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | 67.5 | 49.5 | -176 | -55.8 | -76 | 0 | 0 | 0 | 116.6 | ||||
| 658 | K | 24.4 | Very low | 25 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 74% | 0.735 | 79% | 0.785 | S | S | * | * | -112 | 121.6 | 123.8 | -96.8 | -164.8 | 171.7 | -166.3 | 0 | 108.5 | Y660 | K658-Y660 HydrophobicContact CB-CD2 4.5Å; K658-Y660 HydrophobicContact CB-CE2 4.48Å; K658-Y660 PolarHBondContact O-N 2.76Å | |||
| 659 | T | 24.3 | Very low | 24.7 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -71.6 | 113.2 | 151.8 | 40.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 660 | Y | 25.1 | Very low | 24.9 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | trans | -72.1 | 132.6 | 170.6 | -89.3 | -87.2 | 0 | 0 | 0 | 109.4 | K658 D662 | K658-Y660 HydrophobicContact CB-CD2 4.5Å; K658-Y660 HydrophobicContact CB-CE2 4.48Å; K658-Y660 PolarHBondContact O-N 2.76Å; Y660-D662 VanDerWaalsContact CD1-OD2 3.28Å; Y660-D662 WeakPolarHBondContact CD1-OD2 3.27Å | ||
| 661 | S | 22.7 | Very low | 24.7 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -142.2 | 69.4 | 165 | -64 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 662 | D | 24.6 | Very low | 24.7 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | trans | -108.8 | 152.1 | 156.3 | -60 | -65 | 0 | 0 | 0 | 104.3 | Y660 | Y660-D662 VanDerWaalsContact CD1-OD2 3.28Å; Y660-D662 WeakPolarHBondContact CD1-OD2 3.27Å | ||
| 663 | D | 27.9 | Very low | 24.6 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | cis | -102.5 | 157.8 | 20.5 | -60.5 | -59.5 | 0 | 0 | 0 | 115.4 | ||||
| 664 | S | 25.1 | Very low | 24.6 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -109.6 | 155 | 165.7 | 54.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 665 | D | 25.1 | Very low | 24.7 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | trans | -137.4 | 150 | 170.5 | -148 | -16.5 | 0 | 0 | 0 | 111.4 | ||||
| 666 | S | 27.7 | Very low | 24.7 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | 64.4 | 117.1 | -172.6 | 73 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 667 | N | 22.6 | Very low | 24.7 | Very low | 148 Ų | 148 | 137 Ų | 137 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | -94 | 144.2 | 159.1 | -74 | -82.9 | 0 | 0 | 0 | 109.3 | ||||
| 668 | H | 27.7 | Very low | 24.7 | Very low | 172 Ų | 172 | 138 Ų | 138 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | 178.9 | 159 | 110 | -102.4 | -77 | 0 | 0 | 0 | 114.7 | |||||
| 669 | S | 21 | Very low | 24.8 | Very low | 66 Ų | 66 | 138.1 Ų | 138.1 | 46% | 0.462 | 77% | 0.767 | S | S | . | * | trans | -36 | 160.9 | 164.5 | 44 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 670 | Y | 27 | Very low | 24.9 | Very low | 205 Ų | 205 | 135.9 Ų | 135.9 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | cis | -147.2 | 160.5 | 46.2 | -61.4 | -91 | 0 | 0 | 0 | 117.5 | ||||
| 671 | E | 22.6 | Very low | 25.1 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | trans | -47.5 | 153.1 | 178.4 | -54.5 | 161.8 | 107.2 | 0 | 0 | 117.8 | ||||
| 672 | T | 25.7 | Very low | 25.4 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | -145.6 | 127.3 | 110.7 | -37.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 673 | V | 24.2 | Very low | 25.6 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | trans | -65.2 | 159.2 | 169.4 | -146 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 674 | V | 24.4 | Very low | 25.8 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | cis | -165.7 | 163.7 | 41.2 | -137.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 675 | S | 24.5 | Very low | 26.4 | Very low | 96 Ų | 96 | 142.3 Ų | 142.3 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | cis | -157.5 | 156 | 15.8 | -25.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 676 | N | 22.9 | Very low | 27.3 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | trans | 23.7 | 124.9 | 137.1 | -57.7 | -5.9 | 0 | 0 | 0 | 120.8 | ||||
| 677 | G | 24.4 | Very low | 28.5 | Very low | 80 Ų | 80 | 135 Ų | 135 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | 82.6 | 60.4 | 129.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 678 | K | 25.9 | Very low | 30 | Very low | 193 Ų | 193 | 129.7 Ų | 129.7 | 84% | 0.839 | 69% | 0.689 | S | S | * | * | trans | -147.9 | 42.6 | 168.3 | -124.1 | 175.1 | -171.7 | -179.2 | 0 | 115.9 | S680 | K678-S680 VanDerWaalsContact C-N 3.29Å; K678-S680 PolarHBondContact O-N 3.49Å | ||
| 679 | I | 26.4 | Very low | 31.5 | Very low | 171 Ų | 171 | 122 Ų | 122 | 88% | 0.877 | 65% | 0.654 | S | S | * | * | trans | -75.7 | 86.9 | 161.7 | -58 | 176.8 | 0 | 0 | 0 | 107.1 | ||||
| 680 | S | 26.3 | Very low | 33.4 | Very low | 87 Ų | 87 | 122.9 Ų | 122.9 | 61% | 0.608 | 65% | 0.65 | S | S | * | * | trans | -156.6 | 128.4 | -175.6 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | K678 E682 | K678-S680 VanDerWaalsContact C-N 3.29Å; K678-S680 PolarHBondContact O-N 3.49Å; S680-E682 PolarHBondContact O-N 2.97Å | ||
| 681 | K | 27.8 | Very low | 34.8 | Very low | 169 Ų | 169 | 114.7 Ų | 114.7 | 74% | 0.735 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 77 | -20.1 | 165.6 | -58.1 | -166.1 | 170.5 | -170.5 | 0 | 121.3 | ||
| 682 | E | 29.4 | Very low | 36.5 | Very low | 195 Ų | 195 | 113.1 Ų | 113.1 | 91% | 0.911 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -5.4 | 176.9 | -70 | -175.4 | 167.1 | 0 | 0 | 114.5 | S680 | S680-E682 PolarHBondContact O-N 2.97Š|
| 683 | M | 29.4 | Very low | 38.3 | Very low | 177 Ų | 177 | 111.7 Ų | 111.7 | 87% | 0.872 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | 18.8 | 178.5 | -156.1 | 159.2 | 70.3 | 0 | 0 | 113.4 | ||
| 684 | E | 32.3 | Very low | 40 | Very low | 130 Ų | 130 | 111.6 Ų | 111.6 | 61% | 0.607 | 61% | 0.605 | S | S | * | * | trans | -107.2 | -11.5 | -177.9 | -66.3 | -172.4 | 103.9 | 0 | 0 | 114.5 | C222 | C222-E684 PolarHBondContact SG-O 3.36Š| ||
| 685 | D | 36.8 | Very low | 41.9 | Very low | 145 Ų | 145 | 107.2 Ų | 107.2 | 78% | 0.775 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -81.6 | 124.1 | 173.4 | -100.3 | -10.3 | 0 | 0 | 0 | 110.6 | I687 | D685-I687 WeakPolarHBondContact O-CG1 3.39Å; D685-I687 PolarHBondContact O-N 2.89Å |
| 686 | C | 44.2 | Very low | 43.7 | Very low | 32 Ų | 32 | 104.8 Ų | 104.8 | 22% | 0.216 | 56% | 0.559 | C | S | . | * | trans | -77.5 | 105.2 | -170.3 | -49.2 | 0 | 0 | 0 | 0 | 112.3 | L220 C222 L688 | L220-C686 PolarHBondContact O-SG 3.12Å; C222-C686 WeakPolarHBondContact CA-SG 3.44Å; C222-C686 HydrophobicContact CB-CB 4.21Å; C222-C686 WeakPolarHBondContact CB-SG 3.2Å; C222-C686 PolarHBondContact N-SG 2.83Å; C222-C686 WeakPolarHBondContact SG-CA 3.36Å; C222-C686 WeakPolarHBondContact SG-CB 3.45Å; C222-C686 PolarHBondContact SG-N 3.34Å; C222-C686 VanDerWaalsContact SG-N 3.4Å; C222-C686 CovalentContact SG-SG 2.04Å; C222-C686 PolarHBondContact SG-SG 3.34Å; C686-L688 PolarHBondContact O-N 2.87Å | ||
| 687 | I | 52.8 | Low | 45.4 | Very low | 81 Ų | 81 | 104.1 Ų | 104.1 | 42% | 0.415 | 56% | 0.555 | S | S | . | * | trans | -71.1 | 69.8 | -179.6 | -46.5 | -173.3 | 0 | 0 | 0 | 111.1 | D685 P696 L699 | D685-I687 WeakPolarHBondContact O-CG1 3.39Å; D685-I687 PolarHBondContact O-N 2.89Å; I687-P696 HydrophobicContact CG2-CB 3.51Å; I687-P696 HydrophobicContact CG2-CG 3.51Å; I687-L699 HydrophobicContact CG2-CD1 3.97Å; I687-L699 HydrophobicContact CG2-CG 4.42Å | ||
| 688 | L | 54.3 | Low | 46.8 | Very low | 37 Ų | 37 | 103.7 Ų | 103.7 | 19% | 0.194 | 54% | 0.539 | C | S | . | . | trans | -83 | 145.3 | 168.3 | -80.3 | 153.3 | 0 | 0 | 0 | 110 | V213 V227 T230 C686 Q690 | V213-L688 HydrophobicContact CG1-CD1 3.84Å; V213-L688 HydrophobicContact CG1-CD2 3.88Å; V227-L688 HydrophobicContact CG1-CD1 4.23Å; T230-L688 HydrophobicContact CG2-CD2 4.27Å; C686-L688 PolarHBondContact O-N 2.87Å; L688-Q690 PolarHBondContact O-N 3.29Å | ||
| 689 | V | 59.8 | Low | 48.5 | Very low | 10 Ų | 10 | 94.8 Ų | 94.8 | 6% | 0.061 | 50% | 0.501 | C | S | . | . | trans | -68.7 | 107 | 174.7 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | F35 P37 Q234 L238 L695 L699 | F35-V689 HydrophobicContact CD1-CG1 4.16Å; F35-V689 HydrophobicContact CE1-CB 4.2Å; F35-V689 HydrophobicContact CE1-CG1 4.14Å; P37-V689 HydrophobicContact CB-CG1 3.92Å; P37-V689 HydrophobicContact CG-CG1 3.98Å; Q234-V689 HydrophobicContact CB-CG2 4.18Å; Q234-V689 PolarHBondContact NE2-O 2.85Å; L238-V689 HydrophobicContact CD1-CG2 4.14Å; V689-L695 HydrophobicContact CG1-CD1 4.39Å; V689-L695 HydrophobicContact CG2-CD1 4.19Å; V689-L699 HydrophobicContact CG2-CD1 4.11Å | ||
| 690 | Q | 59.7 | Low | 50.3 | Low | 84 Ų | 84 | 88.8 Ų | 88.8 | 39% | 0.393 | 48% | 0.476 | S | S | . | . | trans | -99.4 | 132.7 | 177.3 | -68.1 | -178.8 | 7.6 | 0 | 0 | 110.3 | P37 L688 K693 | P37-Q690 WeakPolarHBondContact CB-O 3.13Å; L688-Q690 PolarHBondContact O-N 3.29Å; Q690-K693 HydrophobicContact CB-CD 4.16Å; Q690-K693 HydrophobicContact CB-CG 4.46Å; Q690-K693 PolarHBondContact O-N 2.86Å; Q690-K693 VanDerWaalsContact OE1-CE 3.28Å | ||
| 691 | A | 57.9 | Low | 52 | Low | 34 Ų | 34 | 92.3 Ų | 92.3 | 28% | 0.281 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 139.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R34 K693 | R34-A691 HydrophobicContact CG-CB 4.08Å; A691-K693 PolarHBondContact O-N 3.34Å |
| 692 | N | 57.3 | Low | 53.6 | Low | 122 Ų | 122 | 89.3 Ų | 89.3 | 65% | 0.652 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 4.7 | 179.5 | -52.6 | -17.2 | 0 | 0 | 0 | 116.2 | R34 P37 | R34-N692 PolarHBondContact NE-OD1 3.02Å; R34-N692 PolarHBondContact NH2-OD1 2.87Å; R34-N692 VanDerWaalsContact NH2-OD1 3.14Å; P37-N692 WeakPolarHBondContact O-CA 3.11Å; P37-N692 PolarHBondContact O-N 3.47Å |
| 693 | K | 64.5 | Low | 55.7 | Low | 118 Ų | 118 | 81.2 Ų | 81.2 | 51% | 0.513 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -91.2 | 154.6 | 163.9 | -72 | -170.8 | 178.1 | 173.1 | 0 | 110.6 | Q690 A691 | Q690-K693 HydrophobicContact CB-CD 4.16Å; Q690-K693 HydrophobicContact CB-CG 4.46Å; Q690-K693 PolarHBondContact O-N 2.86Å; Q690-K693 VanDerWaalsContact OE1-CE 3.28Å; A691-K693 PolarHBondContact O-N 3.34Å |
| 694 | P | 58.7 | Low | 57.8 | Low | 103 Ų | 103 | 77.7 Ų | 77.7 | 67% | 0.669 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 151 | 166.4 | 26.8 | -34.8 | 0 | 0 | 0 | 109.9 | P696 | P694-P696 VanDerWaalsContact O-CD 3.31Å; P694-P696 WeakPolarHBondContact O-CD 3.36Å |
| 695 | L | 64.4 | Low | 60 | Low | 29 Ų | 29 | 73.7 Ų | 73.7 | 15% | 0.152 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 121.9 | 173.1 | -169.2 | 70.7 | 0 | 0 | 0 | 107.8 | P37 L238 V689 L699 Y703 | P37-L695 HydrophobicContact CG-CB 4.21Å; P37-L695 HydrophobicContact CG-CD1 4.03Å; L238-L695 HydrophobicContact CD1-CD1 4.08Å; V689-L695 HydrophobicContact CG1-CD1 4.39Å; V689-L695 HydrophobicContact CG2-CD1 4.19Å; L695-L699 HydrophobicContact CD1-CB 4.15Å; L695-L699 HydrophobicContact CD1-CD1 4.46Å; L695-L699 HydrophobicContact CD2-CB 4.42Å; L695-L699 HydrophobicContact CG-CB 4.05Å; L695-Y703 HydrophobicContact CD2-CD1 4.12Å; L695-Y703 HydrophobicContact CD2-CG 4.43Å |
| 696 | P | 63.4 | Low | 62 | Low | 46 Ų | 46 | 67.8 Ų | 67.8 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 145.7 | -178.8 | -27.3 | 38.5 | 0 | 0 | 0 | 112.1 | I687 P694 C698 L699 A700 | I687-P696 HydrophobicContact CG2-CB 3.51Å; I687-P696 HydrophobicContact CG2-CG 3.51Å; P694-P696 VanDerWaalsContact O-CD 3.31Å; P694-P696 WeakPolarHBondContact O-CD 3.36Å; P696-C698 VanDerWaalsContact C-N 3.3Å; P696-C698 PolarHBondContact O-N 3.12Å; P696-L699 WeakPolarHBondContact O-CA 3.42Å; P696-L699 WeakPolarHBondContact O-CB 3.38Å; P696-L699 PolarHBondContact O-N 2.79Å; P696-A700 PolarHBondContact O-N 2.82Å |
| 697 | D | 57.2 | Low | 63.4 | Low | 144 Ų | 144 | 72.2 Ų | 72.2 | 77% | 0.77 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -58.1 | -39.5 | -165.8 | -52.5 | -45.6 | 0 | 0 | 0 | 113.2 | L699 A700 | D697-L699 PolarHBondContact O-N 2.78Å; D697-A700 WeakPolarHBondContact O-CB 3.12Å; D697-A700 PolarHBondContact O-N 3.21Å |
| 698 | C | 54.4 | Low | 64.2 | Low | 71 Ų | 71 | 75.9 Ų | 75.9 | 48% | 0.48 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.9 | -4.2 | 175.1 | 68.3 | 0 | 0 | 0 | 0 | 115 | P696 | P696-C698 VanDerWaalsContact C-N 3.3Å; P696-C698 PolarHBondContact O-N 3.12Å |
| 699 | L | 62.3 | Low | 64.7 | Low | 6 Ų | 6 | 76 Ų | 76 | 3% | 0.031 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -112.7 | -11.3 | 172.2 | -59.6 | 179.8 | 0 | 0 | 0 | 112.3 | L235 I687 V689 L695 P696 D697 E701 F702 | L235-L699 HydrophobicContact CD2-CD2 4.05Å; I687-L699 HydrophobicContact CG2-CD1 3.97Å; I687-L699 HydrophobicContact CG2-CG 4.42Å; V689-L699 HydrophobicContact CG2-CD1 4.11Å; L695-L699 HydrophobicContact CD1-CB 4.15Å; L695-L699 HydrophobicContact CD1-CD1 4.46Å; L695-L699 HydrophobicContact CD2-CB 4.42Å; L695-L699 HydrophobicContact CG-CB 4.05Å; P696-L699 WeakPolarHBondContact O-CA 3.42Å; P696-L699 WeakPolarHBondContact O-CB 3.38Å; P696-L699 PolarHBondContact O-N 2.79Å; D697-L699 PolarHBondContact O-N 2.78Å; L699-E701 VanDerWaalsContact C-N 3.33Å; L699-E701 PolarHBondContact O-N 3.41Å; L699-F702 PolarHBondContact O-N 3.44Å |
| 700 | A | 64.3 | Low | 64.6 | Low | 44 Ų | 44 | 78.3 Ų | 78.3 | 36% | 0.364 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.5 | -35.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P696 D697 F702 Y703 | P696-A700 PolarHBondContact O-N 2.82Å; D697-A700 WeakPolarHBondContact O-CB 3.12Å; D697-A700 PolarHBondContact O-N 3.21Å; A700-F702 PolarHBondContact O-N 3.26Å; A700-Y703 CarbonylContact O-C 3.44Å; A700-Y703 PolarHBondContact O-N 2.98Å; A700-Y703 VanDerWaalsContact O-N 3.09Å |
| 701 | E | 61.7 | Low | 64.3 | Low | 162 Ų | 162 | 81.8 Ų | 81.8 | 76% | 0.757 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -24.5 | 173.8 | -61 | -176.3 | 164.2 | 0 | 0 | 113.7 | L699 | L699-E701 VanDerWaalsContact C-N 3.33Å; L699-E701 PolarHBondContact O-N 3.41Å |
| 702 | F | 60.8 | Low | 63.4 | Low | 106 Ų | 106 | 83 Ų | 83 | 47% | 0.465 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 2.4 | -176.5 | -58 | -84.3 | 0 | 0 | 0 | 113.5 | L235 L699 A700 | L235-F702 HydrophobicContact CD2-CB 3.76Å; L235-F702 HydrophobicContact CD2-CD2 4.23Å; L235-F702 HydrophobicContact CD2-CG 3.93Å; L699-F702 PolarHBondContact O-N 3.44Å; A700-F702 PolarHBondContact O-N 3.26Å |
| 703 | Y | 73.2 | Confident | 62.1 | Low | 25 Ų | 25 | 83.2 Ų | 83.2 | 10% | 0.098 | 45% | 0.449 | C | S | . | . | trans | -146.6 | 97.8 | 178 | -178.3 | -112.8 | 0 | 0 | 0 | 113 | P36 L238 L241 S242 L695 A700 P705 | P36-Y703 HydrophobicContact CB-CE1 3.77Å; P36-Y703 HydrophobicContact CG-CE1 4.41Å; L238-Y703 HydrophobicContact CB-CD2 4.25Å; L238-Y703 HydrophobicContact CB-CG 4.45Å; L238-Y703 HydrophobicContact CD2-CD1 4.47Å; L238-Y703 HydrophobicContact CD2-CD2 4.15Å; L238-Y703 HydrophobicContact CD2-CG 4.05Å; L238-Y703 WeakPolarHBondContact O-CD2 3.48Å; L241-Y703 HydrophobicContact CB-CD2 4.4Å; L241-Y703 HydrophobicContact CB-CE2 3.68Å; S242-Y703 WeakPolarHBondContact OG-CD2 3.35Å; L695-Y703 HydrophobicContact CD2-CD1 4.12Å; L695-Y703 HydrophobicContact CD2-CG 4.43Å; A700-Y703 CarbonylContact O-C 3.44Å; A700-Y703 PolarHBondContact O-N 2.98Å; A700-Y703 VanDerWaalsContact O-N 3.09Å; Y703-P705 HydrophobicContact CE1-CG 4.49Å | ||
| 704 | T | 74.8 | Confident | 60.3 | Low | 103 Ų | 103 | 87.1 Ų | 87.1 | 63% | 0.632 | 47% | 0.466 | S | S | * | . | trans | -112.9 | 112.7 | 167.6 | -50.1 | 0 | 0 | 0 | 0 | 108.5 | P706 | T704-P706 WeakPolarHBondContact O-CD 3.13Š| ||
| 705 | P | 77.1 | Confident | 58.6 | Low | 46 Ų | 46 | 86.8 Ų | 86.8 | 30% | 0.299 | 47% | 0.466 | S | S | . | . | trans | -65 | 128.7 | 176.7 | 25.8 | -32.3 | 0 | 0 | 0 | 109.8 | Y703 T707 | Y703-P705 HydrophobicContact CE1-CG 4.49Å; P705-T707 PolarHBondContact O-N 3.13Å; P705-T707 VanDerWaalsContact O-N 3.17Å | ||
| 706 | P | 79 | Confident | 56.6 | Low | 21 Ų | 21 | 90.5 Ų | 90.5 | 14% | 0.136 | 49% | 0.494 | C | S | . | . | trans | -54.4 | 123.1 | 176.9 | -29.4 | 35.8 | 0 | 0 | 0 | 111.6 | P6 S242 T704 | P6-P706 HydrophobicContact CB-CB 4.21Å; P6-P706 WeakPolarHBondContact CB-O 3.38Å; P6-P706 WeakPolarHBondContact CG-O 3.28Å; S242-P706 WeakPolarHBondContact O-CG 3.37Å; T704-P706 WeakPolarHBondContact O-CD 3.13Å | ||
| 707 | T | 74.2 | Confident | 54.7 | Low | 125 Ų | 125 | 95 Ų | 95 | 77% | 0.767 | 52% | 0.521 | S | S | * | . | trans | -99.7 | -24.1 | 175.7 | 34.5 | 0 | 0 | 0 | 0 | 113 | P705 | P705-T707 PolarHBondContact O-N 3.13Å; P705-T707 VanDerWaalsContact O-N 3.17Å | ||
| 708 | E | 68.3 | Low | 52.9 | Low | 158 Ų | 158 | 99.7 Ų | 99.7 | 74% | 0.738 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -122.5 | 162.4 | -179.5 | -62.6 | -165.4 | 161.4 | 0 | 0 | 112.3 | P6 | P6-E708 WeakPolarHBondContact CB-O 3.39Š|
| 709 | L | 64.8 | Low | 51.4 | Low | 40 Ų | 40 | 101.9 Ų | 101.9 | 21% | 0.209 | 54% | 0.541 | C | S | . | . | trans | -87.5 | 126.3 | 174.1 | -69.5 | 170.7 | 0 | 0 | 0 | 109.6 | I4 I247 Y711 | I4-L709 HydrophobicContact CB-CD1 4.26Å; I4-L709 HydrophobicContact CG2-CD1 4.19Å; I4-L709 HydrophobicContact CG2-CD2 3.93Å; I247-L709 HydrophobicContact CD1-CB 3.99Å; I247-L709 HydrophobicContact CG1-CB 3.97Å; I247-L709 HydrophobicContact CG1-CD2 4.49Å; L709-Y711 PolarHBondContact O-N 2.7Å | ||
| 710 | V | 58.7 | Low | 49.3 | Very low | 57 Ų | 57 | 107 Ų | 107 | 35% | 0.345 | 58% | 0.578 | S | S | . | * | trans | -67.2 | 105.4 | -169.8 | 176.6 | 0 | 0 | 0 | 0 | 112.2 | P244 V570 | P244-V710 HydrophobicContact CB-CB 4.48Å; P244-V710 HydrophobicContact CB-CG2 3.49Å; P244-V710 VanDerWaalsContact CB-CG2 3.49Å; P244-V710 HydrophobicContact CG-CG2 3.91Å; V570-V710 HydrophobicContact CG1-CG1 4.3Å | ||
| 711 | Y | 52.2 | Low | 47.4 | Very low | 158 Ų | 158 | 113 Ų | 113 | 62% | 0.62 | 60% | 0.603 | S | S | * | * | trans | -91.9 | 134.1 | 160.1 | -95.2 | -95.8 | 0 | 0 | 0 | 110.4 | I247 L709 N713 | I247-Y711 HydrophobicContact CD1-CD2 3.9Å; I247-Y711 HydrophobicContact CD1-CE2 3.84Å; L709-Y711 PolarHBondContact O-N 2.7Å; Y711-N713 PolarHBondContact O-N 2.84Å | ||
| 712 | S | 40.2 | Very low | 45.5 | Very low | 58 Ų | 58 | 110.8 Ų | 110.8 | 41% | 0.406 | 61% | 0.605 | S | S | . | * | trans | -89.1 | 86.3 | 175.5 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | Q568 K714 | Q568-S712 PolarHBondContact NE2-OG 3.34Å; S712-K714 PolarHBondContact O-N 3.41Å | ||
| 713 | N | 29.2 | Very low | 43.7 | Very low | 127 Ų | 127 | 112.7 Ų | 112.7 | 68% | 0.679 | 62% | 0.62 | S | S | * | * | trans | -71.3 | 90 | 178.8 | -78.7 | -9.1 | 0 | 0 | 0 | 112.2 | Y711 S715 | Y711-N713 PolarHBondContact O-N 2.84Å; N713-S715 VanDerWaalsContact C-N 3.28Å; N713-S715 PolarHBondContact O-N 3.24Å | ||
| 714 | K | 26.4 | Very low | 41.3 | Very low | 200 Ų | 200 | 120.6 Ų | 120.6 | 87% | 0.87 | 66% | 0.657 | S | S | * | * | trans | -84 | 65.3 | 164 | -77.3 | -167.9 | 173 | -176.7 | 0 | 111.3 | S712 | S712-K714 PolarHBondContact O-N 3.41Š| ||
| 715 | S | 22.8 | Very low | 38.8 | Very low | 96 Ų | 96 | 122.3 Ų | 122.3 | 67% | 0.671 | 66% | 0.663 | S | S | * | * | trans | -153.1 | 42.7 | -174.2 | 56.9 | 0 | 0 | 0 | 0 | 116.5 | N713 | N713-S715 VanDerWaalsContact C-N 3.28Å; N713-S715 PolarHBondContact O-N 3.24Å | ||
| 716 | S | 23.5 | Very low | 36.4 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -154.7 | 48.7 | 170.8 | 55.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 717 | T | 23.1 | Very low | 33.7 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 86% | 0.859 | 72% | 0.718 | S | S | * | * | trans | -160.7 | 113.1 | 152.4 | 0.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 718 | R | 20.4 | Very low | 31.4 | Very low | 243 Ų | 243 | 130.2 Ų | 130.2 | 92% | 0.917 | 72% | 0.719 | S | S | * | * | trans | -102.7 | 112 | 159 | -97.6 | -178.1 | 168.3 | 170.6 | -2.6 | 107.9 | ||||
| 719 | P | 21.6 | Very low | 29.3 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | trans | -73.5 | 119.7 | 149.2 | 30.2 | -28.2 | 0 | 0 | 0 | 107.5 | ||||
| 720 | S | 19.4 | Very low | 27.3 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | -85.5 | 116.7 | 173.5 | 59.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 721 | L | 23.9 | Very low | 25.5 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | trans | -130.7 | 130.5 | 164.8 | -79.1 | 177.4 | 0 | 0 | 0 | 109.6 | ||||
| 722 | S | 21.7 | Very low | 24.2 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -92.2 | 120.8 | 179.6 | 51.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 723 | L | 22.1 | Very low | 23.4 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | 42.7 | 99.3 | 136.3 | -160.8 | 81 | 0 | 0 | 0 | 117.8 | ||||
| 724 | E | 23.8 | Very low | 22.9 | Very low | 191 Ų | 191 | 147 Ų | 147 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -141.8 | 162.6 | 133.3 | -128.7 | 171.9 | -144.1 | 0 | 0 | 110.1 | ||||
| 725 | N | 22.9 | Very low | 22.7 | Very low | 139 Ų | 139 | 142.5 Ų | 142.5 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -97.6 | 136.6 | -149.2 | -57.7 | -68 | 0 | 0 | 0 | 115.2 | ||||
| 726 | A | 25.5 | Very low | 22.7 | Very low | 99 Ų | 99 | 145.4 Ų | 145.4 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -152 | 76.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 727 | D | 23.6 | Very low | 22.7 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | 23.1 | 126.5 | 160.6 | -62.8 | -36.8 | 0 | 0 | 0 | 123.3 | ||||
| 728 | S | 24.1 | Very low | 22.6 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | 69 | 115.4 | 142.6 | 75.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 729 | T | 25.2 | Very low | 22.8 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | cis | -147.8 | 155.5 | 31.6 | 36.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 730 | L | 22.3 | Very low | 22.8 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -96 | 155.7 | -168.5 | -91.8 | 159.2 | 0 | 0 | 0 | 114.5 | ||||
| 731 | S | 21.4 | Very low | 23.1 | Very low | 84 Ų | 84 | 140.2 Ų | 140.2 | 59% | 0.587 | 78% | 0.782 | S | S | * | * | trans | -54.2 | 143.1 | 166.2 | 53.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 732 | N | 26 | Very low | 23.1 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -149.1 | 114.6 | 137.5 | -90.4 | -42.6 | 0 | 0 | 0 | 107.6 | ||||
| 733 | F | 22 | Very low | 23.2 | Very low | 178 Ų | 178 | 138 Ų | 138 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | 84 | 142 | 78 | -103.9 | -79.5 | 0 | 0 | 0 | 114 | |||||
| 734 | W | 20 | Very low | 23.3 | Very low | 234 Ų | 234 | 136.4 Ų | 136.4 | 89% | 0.886 | 77% | 0.77 | S | S | * | * | trans | -62.6 | 138 | 176.1 | -62 | -40.8 | 0 | 0 | 0 | 111.8 | ||||
| 735 | S | 21.7 | Very low | 23.6 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | 151.5 | 138.3 | 125.2 | -72.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 736 | Q | 22 | Very low | 23.7 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | 70.2 | 129.4 | 150.5 | -70.9 | -177.2 | 15.3 | 0 | 0 | 122 | ||||
| 737 | S | 23.1 | Very low | 23.8 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | 79.1 | 119.8 | 137.9 | -60.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 738 | T | 21.7 | Very low | 24 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 69% | 0.693 | 76% | 0.763 | S | S | * | * | trans | -93 | 105 | 173.1 | 49.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 739 | V | 24.5 | Very low | 24 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -147 | 99.3 | 155.8 | 176 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 740 | I | 22.6 | Very low | 24.2 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | 58.3 | 119.6 | 80.6 | -57.2 | -178.9 | 0 | 0 | 0 | 112.8 | |||||
| 741 | T | 24.8 | Very low | 24.2 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | trans | 86.6 | 120.1 | -170.1 | 69.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 742 | S | 23.4 | Very low | 24.6 | Very low | 90 Ų | 90 | 143 Ų | 143 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | cis | 71.3 | 141.3 | 29.8 | 103.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 743 | D | 23.9 | Very low | 24.5 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | cis | -145.8 | 155.6 | 5.1 | -79.2 | -71.3 | 0 | 0 | 0 | 110.9 | ||||
| 744 | S | 25.6 | Very low | 24.7 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -159.4 | 130.6 | 152.8 | 62.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 745 | S | 28.4 | Very low | 25.3 | Very low | 92 Ų | 92 | 137.5 Ų | 137.5 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | cis | -162.2 | 123.8 | -8.4 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 746 | G | 25.3 | Very low | 25.4 | Very low | 86 Ų | 86 | 139.9 Ų | 139.9 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | -95.5 | 98.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 747 | N | 28.3 | Very low | 25.7 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | trans | -72.8 | 138 | -179.7 | -87.6 | -71.5 | 0 | 0 | 0 | 112.1 | ||||
| 748 | I | 27.9 | Very low | 25.8 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | -164 | 138.2 | 129.7 | -99.6 | 149.3 | 0 | 0 | 0 | 109.4 | |||||
| 749 | K | 24.5 | Very low | 26.2 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -103.9 | 147.8 | 176.1 | -63.8 | 174.3 | 177.7 | 175.5 | 0 | 110.3 | ||||
| 750 | R | 27.8 | Very low | 26.4 | Very low | 247 Ų | 247 | 139.4 Ų | 139.4 | 93% | 0.932 | 77% | 0.769 | S | S | * | * | -175.5 | 153.3 | 124.1 | -98.5 | 149.9 | -173.3 | 152.5 | 1.5 | 112.3 | |||||
| 751 | N | 23 | Very low | 26.7 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | -87.2 | 166.1 | 179.5 | -49.9 | -12.9 | 0 | 0 | 0 | 110.9 | ||||
| 752 | I | 30.6 | Very low | 26.8 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | -161.1 | 153.9 | 128.1 | -99.2 | 149.7 | 0 | 0 | 0 | 108.1 | |||||
| 753 | N | 23.7 | Very low | 27 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -100.3 | 156.2 | -177.9 | -45.7 | -50.9 | 0 | 0 | 0 | 111 | ||||
| 754 | E | 26 | Very low | 27 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | -160.1 | 156.4 | 127.8 | -112.9 | -177.1 | -177.5 | 0 | 0 | 112.1 | |||||
| 755 | P | 32.2 | Very low | 27 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | trans | -126.1 | 168.5 | -171.4 | 40.2 | -25.8 | 0 | 0 | 0 | 115.5 | ||||
| 756 | L | 24.3 | Very low | 26.8 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | 170.8 | 152.1 | 122.8 | -93.3 | 161.6 | 0 | 0 | 0 | 116.4 | |||||
| 757 | T | 27.6 | Very low | 26.9 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 66% | 0.663 | 78% | 0.776 | S | S | * | * | trans | 67.6 | 121.3 | 157 | 49 | 0 | 0 | 0 | 0 | 123 | ||||
| 758 | N | 26.6 | Very low | 26.9 | Very low | 143 Ų | 143 | 143.9 Ų | 143.9 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | trans | 69.2 | 129.2 | 134.5 | -63.4 | -1.8 | 0 | 0 | 0 | 119.5 | ||||
| 759 | T | 29.9 | Very low | 27.3 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | cis | -155.3 | 159.1 | -2.1 | 39.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 760 | N | 28.3 | Very low | 27.2 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | -156.4 | 147.1 | -4.5 | -107.7 | -6.3 | 0 | 0 | 0 | 110.2 | ||||
| 761 | T | 29.8 | Very low | 27.1 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 32.4 | 132.6 | 148.9 | 60.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 762 | G | 26.9 | Very low | 27.1 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | 87.9 | 148.8 | 12.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 763 | I | 25.7 | Very low | 26.7 | Very low | 151 Ų | 151 | 133 Ų | 133 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | cis | -171.9 | 150.4 | -19.8 | -128.3 | 166.1 | 0 | 0 | 0 | 110.1 | ||||
| 764 | Q | 24.9 | Very low | 26.8 | Very low | 181 Ų | 181 | 129.9 Ų | 129.9 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | 63.9 | -175.1 | 159.6 | -70.1 | 171.6 | 2.1 | 0 | 0 | 121.7 | ||||
| 765 | S | 25.2 | Very low | 26.7 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -155.2 | 144.3 | -143.5 | 56.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 766 | L | 24.7 | Very low | 26.2 | Very low | 180 Ų | 180 | 128.8 Ų | 128.8 | 94% | 0.942 | 78% | 0.776 | S | S | * | * | trans | -179 | 158.6 | 156.8 | -100.6 | 164.6 | 0 | 0 | 0 | 109.4 | ||||
| 767 | G | 26.7 | Very low | 26.2 | Very low | 55 Ų | 55 | 127.2 Ų | 127.2 | 57% | 0.567 | 77% | 0.774 | S | S | * | * | cis | 155.3 | 113.3 | -22 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 768 | V | 28 | Very low | 26.1 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | 68.2 | 134.3 | 148.8 | -177.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 769 | P | 36.1 | Very low | 26 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | cis | -144.1 | -168.8 | -29 | 43.2 | -23.1 | 0 | 0 | 0 | 116.1 | ||||
| 770 | N | 23.7 | Very low | 25.7 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 70.7 | 101.6 | 153.8 | -65.5 | -4 | 0 | 0 | 0 | 122.8 | ||||
| 771 | S | 25 | Very low | 25.6 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | -172 | 143.1 | 111 | 58.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 772 | E | 23.8 | Very low | 25.4 | Very low | 185 Ų | 185 | 129.2 Ų | 129.2 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | 29.9 | 128.5 | 153 | -57.6 | -174 | 173.1 | 0 | 0 | 125.6 | ||||
| 773 | S | 22 | Very low | 25.4 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | 51.8 | 120.7 | 130.6 | -159.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 774 | G | 25.7 | Very low | 25.4 | Very low | 79 Ų | 79 | 128.9 Ų | 128.9 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | trans | 173.7 | 106.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 775 | T | 23.9 | Very low | 25.3 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | -62.2 | 144.6 | -177.7 | 44.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 776 | L | 21.5 | Very low | 25.2 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | trans | 56.8 | 115.4 | 140.5 | -61.2 | 166.5 | 0 | 0 | 0 | 118.5 | ||||
| 777 | T | 24.3 | Very low | 25.2 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | -179.9 | 159.8 | 71.3 | 36.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 778 | R | 25.4 | Very low | 25.1 | Very low | 224 Ų | 224 | 134.7 Ų | 134.7 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | 55.1 | 101 | 152.4 | -67.9 | 172.5 | 79.1 | 166.8 | 3.4 | 120.7 | ||||
| 779 | S | 23.8 | Very low | 24.9 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | 29.5 | 138.4 | 118.1 | 65.7 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 780 | S | 25.2 | Very low | 24.3 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | cis | -165.5 | 148.5 | 31.6 | 51.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 781 | S | 24.8 | Very low | 24.4 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | 45.9 | 126.7 | 148.6 | 63.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 782 | V | 26.4 | Very low | 24.5 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | -168.4 | 141.2 | 71.9 | 150.6 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 783 | S | 27.5 | Very low | 24.6 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | cis | -156.9 | -145.7 | -14.6 | 60.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 784 | S | 24.9 | Very low | 24.7 | Very low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | trans | -157.5 | 172.1 | -176.8 | 67.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 785 | R | 23.7 | Very low | 24.8 | Very low | 191 Ų | 191 | 127.6 Ų | 127.6 | 72% | 0.721 | 70% | 0.7 | S | S | * | * | trans | -155.7 | 104 | 143.8 | -111 | 157 | -164.2 | -86.8 | -17.8 | 112.2 | ||||
| 786 | R | 22.2 | Very low | 25.1 | Very low | 239 Ų | 239 | 121.9 Ų | 121.9 | 90% | 0.902 | 67% | 0.665 | S | S | * | * | trans | -159.6 | 141.8 | 172.5 | -155.9 | -175.4 | -162.9 | -163.5 | 6 | 108.1 | ||||
| 787 | S | 25 | Very low | 25.2 | Very low | 95 Ų | 95 | 122.9 Ų | 122.9 | 66% | 0.664 | 66% | 0.659 | S | S | * | * | trans | 59.2 | 139.2 | 169.3 | -158.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 788 | T | 23.9 | Very low | 25.3 | Very low | 122 Ų | 122 | 123 Ų | 123 | 75% | 0.748 | 65% | 0.654 | S | S | * | * | trans | -150 | 73.6 | 172 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 789 | N | 25.1 | Very low | 25.3 | Very low | 136 Ų | 136 | 115.5 Ų | 115.5 | 73% | 0.727 | 64% | 0.636 | S | S | * | * | trans | -119.9 | -29.6 | 175.5 | -85.2 | 8.5 | 0 | 0 | 0 | 114.5 | T791 | N789-T791 PolarHBondContact O-N 2.93Å; N789-T791 VanDerWaalsContact O-N 3.08Å | ||
| 790 | D | 22.2 | Very low | 25.4 | Very low | 141 Ų | 141 | 113.3 Ų | 113.3 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 59.3 | -164.2 | -57.8 | -64.4 | 0 | 0 | 0 | 114.8 | ||
| 791 | T | 25.3 | Very low | 25.3 | Very low | 71 Ų | 71 | 112.7 Ų | 112.7 | 44% | 0.436 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -145.3 | -6.7 | 174.9 | -35.2 | 0 | 0 | 0 | 0 | 116.2 | N789 L848 | N789-T791 PolarHBondContact O-N 2.93Å; N789-T791 VanDerWaalsContact O-N 3.08Å; T791-L848 HydrophobicContact CG2-CD1 3.92Å; T791-L848 HydrophobicContact CG2-CD2 4.17Å; T791-L848 HydrophobicContact CG2-CG 4.11Å |
| 792 | L | 27.4 | Very low | 25.5 | Very low | 122 Ų | 122 | 114.4 Ų | 114.4 | 64% | 0.639 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -93.9 | -26.2 | 176.9 | -67.2 | 172.7 | 0 | 0 | 0 | 113.8 | L794 V795 | L792-L794 PolarHBondContact O-N 3.37Å; L792-V795 PolarHBondContact O-N 2.93Å |
| 793 | Q | 27.5 | Very low | 25.3 | Very low | 93 Ų | 93 | 115.6 Ų | 115.6 | 44% | 0.435 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.2 | 2.8 | -178.6 | -79.5 | -75.8 | -26.8 | 0 | 0 | 116.6 | ||
| 794 | L | 23.7 | Very low | 25.2 | Very low | 121 Ų | 121 | 116 Ų | 116 | 63% | 0.634 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | -10.6 | -176.8 | -116.7 | 171.6 | 0 | 0 | 0 | 114.4 | L792 | L792-L794 PolarHBondContact O-N 3.37Š|
| 795 | V | 27.2 | Very low | 25.1 | Very low | 72 Ų | 72 | 115.4 Ų | 115.4 | 44% | 0.436 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94 | -40.8 | -177.3 | -173.9 | 0 | 0 | 0 | 0 | 111.4 | L792 R797 L798 L839 | L792-V795 PolarHBondContact O-N 2.93Å; V795-R797 VanDerWaalsContact C-N 3.26Å; V795-R797 PolarHBondContact O-N 2.9Å; V795-L798 PolarHBondContact O-N 3.22Å; V795-L839 HydrophobicContact CG1-CD1 4.37Å; V795-L839 HydrophobicContact CG1-CD2 4.08Å; V795-L839 HydrophobicContact CG2-CD2 3.95Å |
| 796 | S | 29.4 | Very low | 25.2 | Very low | 6 Ų | 6 | 113.4 Ų | 113.4 | 4% | 0.042 | 62% | 0.62 | C | S | . | * | G | 310 helix | trans | -60.8 | -32.6 | 178.2 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | L798 S799 S800 E1693 R1755 | S796-L798 PolarHBondContact O-N 3.23Å; S796-L798 VanDerWaalsContact O-N 3.15Å; S796-S799 PolarHBondContact O-N 3.49Å; S796-S800 PolarHBondContact O-OG 3.43Å; S796-E1693 WeakPolarHBondContact CB-OE2 3.34Å; S796-E1693 PolarHBondContact OG-OE2 2.89Å; S796-R1755 PolarHBondContact O-NH1 2.95Å; S796-R1755 PolarHBondContact O-NH2 3.1Å |
| 797 | R | 25.4 | Very low | 25.3 | Very low | 171 Ų | 171 | 104.9 Ų | 104.9 | 65% | 0.645 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -66 | -12 | -177.7 | -70.7 | -171.3 | 174.4 | -152.5 | -3.1 | 115.2 | V795 S800 | V795-R797 VanDerWaalsContact C-N 3.26Å; V795-R797 PolarHBondContact O-N 2.9Å; R797-S800 PolarHBondContact O-OG 2.98Å |
| 798 | L | 25 | Very low | 25.2 | Very low | 126 Ų | 126 | 107.7 Ų | 107.7 | 66% | 0.66 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -96 | -19 | 177.8 | -69.8 | 171 | 0 | 0 | 0 | 113.7 | V795 S796 S800 S801 | V795-L798 PolarHBondContact O-N 3.22Å; S796-L798 PolarHBondContact O-N 3.23Å; S796-L798 VanDerWaalsContact O-N 3.15Å; L798-S800 PolarHBondContact O-N 3.29Å; L798-S801 PolarHBondContact O-OG 2.89Å |
| 799 | S | 25.6 | Very low | 25.4 | Very low | 66 Ų | 66 | 109.6 Ų | 109.6 | 46% | 0.462 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.9 | 1.8 | 169.7 | -136.8 | 0 | 0 | 0 | 0 | 112.6 | S796 R1755 | S796-S799 PolarHBondContact O-N 3.49Å; S799-R1755 PolarHBondContact O-NH1 3.08Å |
| 800 | S | 26 | Very low | 25.2 | Very low | 56 Ų | 56 | 107.5 Ų | 107.5 | 39% | 0.392 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.8 | -18.6 | -174.6 | -42.4 | 0 | 0 | 0 | 0 | 114.1 | S796 R797 L798 R1755 | S796-S800 PolarHBondContact O-OG 3.43Å; R797-S800 PolarHBondContact O-OG 2.98Å; L798-S800 PolarHBondContact O-N 3.29Å; S800-R1755 VanDerWaalsContact CA-NH1 3.27Å; S800-R1755 VanDerWaalsContact OG-CZ 3.22Å; S800-R1755 PolarHBondContact OG-NH1 3.29Å; S800-R1755 PolarHBondContact OG-NH2 2.98Å |
| 801 | S | 24.1 | Very low | 25.6 | Very low | 88 Ų | 88 | 110.4 Ų | 110.4 | 62% | 0.615 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -111.1 | 18.3 | -157.6 | 50.2 | 0 | 0 | 0 | 0 | 115.1 | L798 | L798-S801 PolarHBondContact O-OG 2.89Š|
| 802 | I | 27.4 | Very low | 25.4 | Very low | 140 Ų | 140 | 116.8 Ų | 116.8 | 72% | 0.718 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -122.8 | -20.6 | -178.7 | -63 | 179.4 | 0 | 0 | 0 | 112.7 | ||
| 803 | F | 23.5 | Very low | 25.3 | Very low | 160 Ų | 160 | 116.4 Ų | 116.4 | 70% | 0.702 | 65% | 0.651 | S | S | * | * | trans | -110.6 | 62.9 | -178.7 | -79.4 | -80.4 | 0 | 0 | 0 | 113.7 | ||||
| 804 | V | 24.9 | Very low | 25.2 | Very low | 121 Ų | 121 | 116.4 Ų | 116.4 | 73% | 0.733 | 66% | 0.661 | S | S | * | * | trans | -133.6 | 75.5 | 161 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | N806 | V804-N806 VanDerWaalsContact C-N 3.33Å; V804-N806 HydrophobicContact CG1-CB 4.37Å; V804-N806 PolarHBondContact O-N 3.37Å | ||
| 805 | G | 22.8 | Very low | 25.2 | Very low | 86 Ų | 86 | 116.7 Ų | 116.7 | 89% | 0.887 | 67% | 0.668 | S | S | * | * | trans | -85.8 | 68.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 806 | N | 26.2 | Very low | 25.2 | Very low | 149 Ų | 149 | 120.4 Ų | 120.4 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | trans | -88.3 | 127.6 | 177.2 | -128.3 | 52.8 | 0 | 0 | 0 | 110.2 | V804 | V804-N806 VanDerWaalsContact C-N 3.33Å; V804-N806 HydrophobicContact CG1-CB 4.37Å; V804-N806 PolarHBondContact O-N 3.37Å | ||
| 807 | G | 23 | Very low | 24.8 | Very low | 60 Ų | 60 | 126.4 Ų | 126.4 | 62% | 0.619 | 73% | 0.728 | S | S | * | * | trans | -81.6 | 154.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 808 | N | 23.5 | Very low | 24.8 | Very low | 155 Ų | 155 | 124.3 Ų | 124.3 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | trans | 64.9 | 129.9 | 179.2 | -49.4 | -11 | 0 | 0 | 0 | 112.9 | ||||
| 809 | D | 27.6 | Very low | 24.7 | Very low | 162 Ų | 162 | 123.4 Ų | 123.4 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | cis | -149.8 | 179.1 | 33.9 | -114 | -43.7 | 0 | 0 | 0 | 114.1 | ||||
| 810 | S | 22.6 | Very low | 24.6 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | trans | -92.7 | 133.9 | -173 | 68.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 811 | K | 28.7 | Very low | 24.5 | Very low | 201 Ų | 201 | 133.9 Ų | 133.9 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | 171 | 142.7 | 122.5 | -90.1 | 154.6 | -171.1 | 169.4 | 0 | 115.7 | |||||
| 812 | K | 22.7 | Very low | 24.5 | Very low | 206 Ų | 206 | 132.7 Ų | 132.7 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | trans | -27.8 | 159.1 | 176 | -62.2 | 176.4 | 175.3 | -178.8 | 0 | 121.5 | ||||
| 813 | S | 25.2 | Very low | 24.2 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | 92.3 | 134.5 | 158.1 | -134.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 814 | S | 24.4 | Very low | 24.3 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | cis | -168.7 | 134.5 | -16.4 | 37.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 815 | T | 23.7 | Very low | 24.4 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | 40.4 | 110.1 | 152.2 | 53.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 816 | V | 27.7 | Very low | 24.5 | Very low | 150 Ų | 150 | 138 Ų | 138 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | -138.8 | 148.8 | 123.7 | 178.5 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 817 | T | 21.4 | Very low | 24.7 | Very low | 133 Ų | 133 | 134 Ų | 134 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | -100.3 | 134 | -170.8 | 52 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 818 | S | 25.9 | Very low | 25 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -150 | 159.5 | 148.8 | 66.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 819 | S | 21.5 | Very low | 25.2 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -112.3 | 141.3 | -155 | 57.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 820 | T | 23.8 | Very low | 25.5 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | 64.4 | 95.1 | 148.2 | -45.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 821 | F | 24.1 | Very low | 26.1 | Very low | 220 Ų | 220 | 127.1 Ų | 127.1 | 97% | 0.965 | 72% | 0.715 | S | S | * | * | -142.4 | 136.7 | 125.3 | -93.5 | -77.6 | 0 | 0 | 0 | 107.7 | |||||
| 822 | G | 23.3 | Very low | 26.4 | Very low | 62 Ų | 62 | 119.6 Ų | 119.6 | 64% | 0.639 | 69% | 0.685 | S | S | * | * | trans | -127.5 | 141.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 823 | D | 22.4 | Very low | 27.1 | Very low | 167 Ų | 167 | 111.5 Ų | 111.5 | 89% | 0.893 | 65% | 0.653 | S | S | * | * | trans | 33.5 | 88.2 | 157.2 | -52.7 | -13.1 | 0 | 0 | 0 | 117.9 | ||||
| 824 | D | 25.6 | Very low | 27.5 | Very low | 136 Ų | 136 | 107.2 Ų | 107.2 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | trans | -139.7 | 100.1 | 158.3 | -121.6 | -16 | 0 | 0 | 0 | 107.5 | L826 | D824-L826 PolarHBondContact O-N 3.43Å; D824-L826 VanDerWaalsContact O-N 3.12Å | ||
| 825 | N | 25.6 | Very low | 28 | Very low | 172 Ų | 172 | 109 Ų | 109 | 92% | 0.92 | 62% | 0.623 | S | S | * | * | trans | -71.2 | 105.3 | 179.9 | -87.3 | -27.1 | 0 | 0 | 0 | 110.3 | S827 | N825-S827 PolarHBondContact O-N 2.83Å; N825-S827 VanDerWaalsContact O-N 3.08Å | ||
| 826 | L | 25.3 | Very low | 28.5 | Very low | 144 Ų | 144 | 107.6 Ų | 107.6 | 75% | 0.754 | 61% | 0.606 | S | S | * | * | trans | -74.3 | 94.3 | -179.4 | -78.4 | 158.1 | 0 | 0 | 0 | 112 | D824 W828 | D824-L826 PolarHBondContact O-N 3.43Å; D824-L826 VanDerWaalsContact O-N 3.12Å; L826-W828 VanDerWaalsContact O-CD1 3.3Å | ||
| 827 | S | 29.8 | Very low | 28.8 | Very low | 65 Ų | 65 | 100.6 Ų | 100.6 | 46% | 0.455 | 57% | 0.565 | S | S | . | * | trans | -64.3 | 129.1 | 159.6 | 58 | 0 | 0 | 0 | 0 | 109.8 | N825 D829 | N825-S827 PolarHBondContact O-N 2.83Å; N825-S827 VanDerWaalsContact O-N 3.08Å; S827-D829 VanDerWaalsContact C-N 3.32Å; S827-D829 PolarHBondContact O-N 2.92Å | ||
| 828 | W | 29.3 | Very low | 29.4 | Very low | 173 Ų | 173 | 98.3 Ų | 98.3 | 66% | 0.655 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -76.8 | -10.8 | -164.7 | -83.1 | 73.3 | 0 | 0 | 0 | 116 | L826 T830 | L826-W828 VanDerWaalsContact O-CD1 3.3Å; W828-T830 PolarHBondContact O-N 2.72Å |
| 829 | D | 29.4 | Very low | 29.8 | Very low | 87 Ų | 87 | 95.4 Ų | 95.4 | 47% | 0.465 | 52% | 0.521 | S | S | . | . | trans | -67.4 | 20.8 | -174.9 | -84.4 | 20.5 | 0 | 0 | 0 | 116.2 | S827 | S827-D829 VanDerWaalsContact C-N 3.32Å; S827-D829 PolarHBondContact O-N 2.92Å | ||
| 830 | T | 32.9 | Very low | 30.5 | Very low | 21 Ų | 21 | 95.2 Ų | 95.2 | 13% | 0.129 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -152.1 | 101.1 | 176.1 | -36.7 | 0 | 0 | 0 | 0 | 118.6 | W828 L904 R908 | W828-T830 PolarHBondContact O-N 2.72Å; T830-L904 HydrophobicContact CG2-CD1 3.24Å; T830-R908 HydrophobicContact CG2-CG 3.85Å; T830-R908 PolarHBondContact O-NH2 3.41Å |
| 831 | S | 34.7 | Very low | 31.1 | Very low | 44 Ų | 44 | 95.6 Ų | 95.6 | 31% | 0.308 | 50% | 0.503 | S | S | . | . | trans | 70.6 | 82 | 154.1 | -61.1 | 0 | 0 | 0 | 0 | 118.1 | T833 L834 L904 | S831-T833 PolarHBondContact O-N 3.42Å; S831-T833 VanDerWaalsContact O-N 3.08Å; S831-L834 PolarHBondContact O-N 3.44Å; S831-L904 VanDerWaalsContact OG-CD1 3.26Å; S831-L904 WeakPolarHBondContact OG-CD1 3.43Å | ||
| 832 | V | 36.6 | Very low | 31.3 | Very low | 42 Ų | 42 | 88 Ų | 88 | 26% | 0.255 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.3 | -35.3 | 161.9 | 174.8 | 0 | 0 | 0 | 0 | 113.3 | L834 L835 F836 F1699 L1712 | V832-L834 PolarHBondContact O-N 3.32Å; V832-L834 VanDerWaalsContact O-N 3.12Å; V832-L835 PolarHBondContact O-N 3.42Å; V832-F836 HydrophobicContact CG1-CD2 4.12Å; V832-F836 HydrophobicContact CG1-CE2 3.74Å; V832-F1699 HydrophobicContact CG2-CE2 4.27Å; V832-F1699 HydrophobicContact CG2-CZ 4.08Å; V832-L1712 HydrophobicContact CG1-CB 4.31Å; V832-L1712 HydrophobicContact CG1-CD2 4.36Å |
| 833 | T | 36.6 | Very low | 31.6 | Very low | 36 Ų | 36 | 93.3 Ų | 93.3 | 22% | 0.221 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -53.9 | -31.1 | -177.8 | 20.7 | 0 | 0 | 0 | 0 | 115.1 | S831 G837 L865 E868 | S831-T833 PolarHBondContact O-N 3.42Å; S831-T833 VanDerWaalsContact O-N 3.08Å; T833-G837 PolarHBondContact O-N 2.72Å; T833-L865 HydrophobicContact CG2-CD2 4.08Å; T833-L865 VanDerWaalsContact O-CD2 3.3Å; T833-L865 WeakPolarHBondContact O-CD2 3.37Å; T833-E868 WeakPolarHBondContact CB-OE2 3.45Å; T833-E868 PolarHBondContact OG1-OE2 3Å |
| 834 | L | 34.6 | Very low | 32 | Very low | 23 Ų | 23 | 95.5 Ų | 95.5 | 12% | 0.12 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -82.3 | -26.6 | -175.1 | -71.3 | 96 | 0 | 0 | 0 | 113.9 | S831 V832 F836 G837 D838 E868 R869 I872 | S831-L834 PolarHBondContact O-N 3.44Å; V832-L834 PolarHBondContact O-N 3.32Å; V832-L834 VanDerWaalsContact O-N 3.12Å; L834-F836 VanDerWaalsContact C-N 3.3Å; L834-F836 PolarHBondContact O-N 3.38Å; L834-G837 WeakPolarHBondContact O-CA 3.4Å; L834-G837 PolarHBondContact O-N 3.46Å; L834-D838 PolarHBondContact O-N 3.12Å; L834-E868 HydrophobicContact CD1-CB 4.22Å; L834-R869 HydrophobicContact CD2-CB 4.44Å; L834-R869 HydrophobicContact CD2-CG 3.62Å; L834-I872 HydrophobicContact CD1-CD1 3.38Å; L834-I872 HydrophobicContact CD2-CD1 3.48Å; L834-I872 VanDerWaalsContact CD2-CD1 3.48Å; L834-I872 HydrophobicContact CG-CD1 4.03Å |
| 835 | L | 34.4 | Very low | 32 | Very low | 131 Ų | 131 | 93 Ų | 93 | 69% | 0.686 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.8 | -43 | 170.6 | -72.1 | 165.3 | 0 | 0 | 0 | 110.3 | V832 L839 | V832-L835 PolarHBondContact O-N 3.42Å; L835-L839 PolarHBondContact O-N 2.98Å |
| 836 | F | 34.1 | Very low | 32.2 | Very low | 97 Ų | 97 | 96.8 Ų | 96.8 | 43% | 0.425 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 169.3 | -72.5 | -82.4 | 0 | 0 | 0 | 112.5 | V832 L834 D838 L839 L840 L1712 | V832-F836 HydrophobicContact CG1-CD2 4.12Å; V832-F836 HydrophobicContact CG1-CE2 3.74Å; L834-F836 VanDerWaalsContact C-N 3.3Å; L834-F836 PolarHBondContact O-N 3.38Å; F836-D838 PolarHBondContact O-N 2.87Å; F836-L839 WeakPolarHBondContact O-CB 3.49Å; F836-L839 PolarHBondContact O-N 3.45Å; F836-L840 PolarHBondContact O-N 3Å; F836-L1712 HydrophobicContact CE2-CD1 3.98Å; F836-L1712 HydrophobicContact CZ-CD1 3.88Å |
| 837 | G | 34.1 | Very low | 32.4 | Very low | 4 Ų | 4 | 95 Ų | 95 | 4% | 0.041 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -60.1 | -41.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | T833 L834 R869 | T833-G837 PolarHBondContact O-N 2.72Å; L834-G837 WeakPolarHBondContact O-CA 3.4Å; L834-G837 PolarHBondContact O-N 3.46Å; G837-R869 PolarHBondContact O-NH2 3.1Å |
| 838 | D | 33.6 | Very low | 32.3 | Very low | 85 Ų | 85 | 95.8 Ų | 95.8 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -84.9 | -25.2 | 178.7 | -74.1 | -38.8 | 0 | 0 | 0 | 112.7 | L834 F836 L840 K841 R869 | L834-D838 PolarHBondContact O-N 3.12Å; F836-D838 PolarHBondContact O-N 2.87Å; D838-L840 PolarHBondContact O-N 3.03Å; D838-K841 PolarHBondContact O-N 3.5Å; D838-K841 WeakPolarHBondContact OD1-CD 3.36Å; D838-K841 WeakPolarHBondContact OD1-CE 3.44Å; D838-K841 IonicContact OD1-NZ 2.7Å; D838-K841 PolarHBondContact OD1-NZ 2.92Å; D838-R869 IonicContact OD1-CZ 2.73Å; D838-R869 IonicContact OD1-NE 3.93Å; D838-R869 IonicContact OD1-NH2 3.36Å; D838-R869 PolarHBondContact OD1-NH2 3.37Å |
| 839 | L | 34.5 | Very low | 32.4 | Very low | 65 Ų | 65 | 92.3 Ų | 92.3 | 34% | 0.34 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -54.9 | -42.3 | 167.4 | -150.8 | 85.6 | 0 | 0 | 0 | 111.4 | V795 L835 F836 K841 S842 | V795-L839 HydrophobicContact CG1-CD1 4.37Å; V795-L839 HydrophobicContact CG1-CD2 4.08Å; V795-L839 HydrophobicContact CG2-CD2 3.95Å; L835-L839 PolarHBondContact O-N 2.98Å; F836-L839 WeakPolarHBondContact O-CB 3.49Å; F836-L839 PolarHBondContact O-N 3.45Å; L839-K841 VanDerWaalsContact C-N 3.29Å; L839-K841 PolarHBondContact O-N 3.44Å; L839-S842 WeakPolarHBondContact O-CB 3.49Å; L839-S842 PolarHBondContact O-N 2.86Å; L839-S842 PolarHBondContact O-OG 3.12Å |
| 840 | L | 35.6 | Very low | 32.6 | Very low | 103 Ų | 103 | 95.2 Ų | 95.2 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -14.4 | 177 | -74.6 | 167.3 | 0 | 0 | 0 | 114.9 | F836 D838 L845 | F836-L840 PolarHBondContact O-N 3Å; D838-L840 PolarHBondContact O-N 3.03Å; L840-L845 HydrophobicContact CD2-CD1 3.95Å |
| 841 | K | 36 | Very low | 32.7 | Very low | 131 Ų | 131 | 101.4 Ų | 101.4 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -14.2 | 171.1 | -73.9 | -176.3 | -175.2 | 151.6 | 0 | 112.8 | D838 L839 R869 | D838-K841 PolarHBondContact O-N 3.5Å; D838-K841 WeakPolarHBondContact OD1-CD 3.36Å; D838-K841 WeakPolarHBondContact OD1-CE 3.44Å; D838-K841 IonicContact OD1-NZ 2.7Å; D838-K841 PolarHBondContact OD1-NZ 2.92Å; L839-K841 VanDerWaalsContact C-N 3.29Å; L839-K841 PolarHBondContact O-N 3.44Å; K841-R869 VanDerWaalsContact CE-NH2 3.26Å |
| 842 | S | 29.8 | Very low | 32.9 | Very low | 60 Ų | 60 | 106.7 Ų | 106.7 | 42% | 0.42 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -70.5 | 132.5 | 173.3 | 76.4 | 0 | 0 | 0 | 0 | 110.4 | L839 R844 | L839-S842 WeakPolarHBondContact O-CB 3.49Å; L839-S842 PolarHBondContact O-N 2.86Å; L839-S842 PolarHBondContact O-OG 3.12Å; S842-R844 PolarHBondContact O-N 2.82Å |
| 843 | N | 28.6 | Very low | 33.1 | Very low | 174 Ų | 174 | 107.9 Ų | 107.9 | 93% | 0.93 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 24.5 | -174.4 | -91 | -33.5 | 0 | 0 | 0 | 114.9 | ||
| 844 | R | 30.4 | Very low | 33.4 | Very low | 212 Ų | 212 | 110 Ų | 110 | 80% | 0.8 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -17.5 | -177.1 | -73.1 | -172.4 | 169.5 | -168 | -3.1 | 114.9 | S842 R846 | S842-R844 PolarHBondContact O-N 2.82Å; R844-R846 PolarHBondContact O-N 2.81Å |
| 845 | L | 27.4 | Very low | 34.1 | Very low | 84 Ų | 84 | 114.8 Ų | 114.8 | 44% | 0.44 | 58% | 0.575 | S | S | . | * | trans | -93.4 | 52.6 | -175.7 | -73 | 171.3 | 0 | 0 | 0 | 114.3 | L840 L848 | L840-L845 HydrophobicContact CD2-CD1 3.95Å; L845-L848 HydrophobicContact CD2-CD1 4.2Å | ||
| 846 | R | 29.1 | Very low | 34.8 | Very low | 252 Ų | 252 | 111.2 Ų | 111.2 | 95% | 0.951 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -101.8 | 10.2 | 170.1 | -127.2 | -178.4 | -168.6 | -171.8 | 3.6 | 113.9 | R844 | R844-R846 PolarHBondContact O-N 2.81Š|
| 847 | S | 29.1 | Very low | 35.3 | Very low | 105 Ų | 105 | 108.2 Ų | 108.2 | 73% | 0.734 | 55% | 0.554 | S | S | * | * | trans | -129.3 | 19.8 | -163.6 | -165.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 848 | L | 28.9 | Very low | 35.9 | Very low | 83 Ų | 83 | 111.4 Ų | 111.4 | 44% | 0.435 | 57% | 0.57 | S | S | . | * | trans | -117.6 | 124.3 | 171.7 | -75.7 | 174.5 | 0 | 0 | 0 | 110.5 | T791 L845 F850 | T791-L848 HydrophobicContact CG2-CD1 3.92Å; T791-L848 HydrophobicContact CG2-CD2 4.17Å; T791-L848 HydrophobicContact CG2-CG 4.11Å; L845-L848 HydrophobicContact CD2-CD1 4.2Å; L848-F850 PolarHBondContact O-N 2.82Å; L848-F850 VanDerWaalsContact O-N 3.11Å | ||
| 849 | T | 29.7 | Very low | 37.2 | Very low | 99 Ų | 99 | 113.3 Ų | 113.3 | 61% | 0.607 | 58% | 0.576 | S | S | * | * | trans | -86.4 | 81.5 | -171.9 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | K851 | T849-K851 PolarHBondContact O-N 2.84Š| ||
| 850 | F | 34.4 | Very low | 38.2 | Very low | 148 Ų | 148 | 113.6 Ų | 113.6 | 65% | 0.649 | 58% | 0.577 | S | S | * | * | trans | -61 | 102.6 | 158.6 | -72.6 | -88.3 | 0 | 0 | 0 | 109 | L848 V853 | L848-F850 PolarHBondContact O-N 2.82Å; L848-F850 VanDerWaalsContact O-N 3.11Å; F850-V853 HydrophobicContact CD1-CB 4.46Å; F850-V853 HydrophobicContact CD1-CG2 3.92Å | ||
| 851 | K | 34 | Very low | 39.2 | Very low | 151 Ų | 151 | 113.3 Ų | 113.3 | 66% | 0.657 | 57% | 0.573 | S | S | * | * | trans | -102.6 | -25.9 | 174.4 | -88.8 | -155.7 | 163.6 | -159.7 | 0 | 114.2 | T849 | T849-K851 PolarHBondContact O-N 2.84Š| ||
| 852 | D | 39.5 | Very low | 40.5 | Very low | 155 Ų | 155 | 113.1 Ų | 113.1 | 83% | 0.829 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -117.1 | 7.1 | -164.2 | -48.3 | -74 | 0 | 0 | 0 | 114 | ||
| 853 | V | 40.3 | Very low | 42.7 | Very low | 67 Ų | 67 | 116 Ų | 116 | 41% | 0.406 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -95.7 | 122.9 | 173 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | F850 L855 A857 L858 | F850-V853 HydrophobicContact CD1-CB 4.46Å; F850-V853 HydrophobicContact CD1-CG2 3.92Å; V853-L855 PolarHBondContact O-N 2.85Å; V853-A857 HydrophobicContact CG1-CB 4.19Å; V853-L858 HydrophobicContact CB-CD1 4.44Å; V853-L858 HydrophobicContact CG1-CD1 4.26Å; V853-L858 HydrophobicContact CG1-CG 3.91Å |
| 854 | P | 44.2 | Very low | 44.8 | Very low | 81 Ų | 81 | 112.9 Ų | 112.9 | 53% | 0.526 | 55% | 0.552 | S | S | . | * | trans | -57.1 | 136.7 | 177.1 | -26.7 | 35.3 | 0 | 0 | 0 | 112.7 | S856 A857 L858 | P854-S856 PolarHBondContact O-N 2.92Å; P854-S856 VanDerWaalsContact O-N 3.12Å; P854-A857 WeakPolarHBondContact O-CB 3.23Å; P854-A857 PolarHBondContact O-N 2.76Å; P854-L858 PolarHBondContact O-N 2.57Å | ||
| 855 | L | 48.1 | Very low | 46.8 | Very low | 123 Ų | 123 | 103.2 Ų | 103.2 | 64% | 0.644 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.8 | -32.9 | -178 | -168.7 | 70.4 | 0 | 0 | 0 | 112.6 | V853 L858 Q859 | V853-L855 PolarHBondContact O-N 2.85Å; L855-L858 PolarHBondContact O-N 3.13Å; L855-Q859 WeakPolarHBondContact O-CG 3.28Å; L855-Q859 PolarHBondContact O-N 3.47Å |
| 856 | S | 48.8 | Very low | 49.3 | Very low | 57 Ų | 57 | 103.5 Ų | 103.5 | 40% | 0.399 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 173.9 | 48 | 0 | 0 | 0 | 0 | 113.2 | P854 Q859 M860 | P854-S856 PolarHBondContact O-N 2.92Å; P854-S856 VanDerWaalsContact O-N 3.12Å; S856-Q859 PolarHBondContact O-N 2.77Å; S856-M860 WeakPolarHBondContact O-CB 3.27Å; S856-M860 VanDerWaalsContact O-CG 3.27Å; S856-M860 WeakPolarHBondContact O-CG 3.47Å; S856-M860 PolarHBondContact O-N 3.22Å |
| 857 | A | 46 | Very low | 52 | Low | 33 Ų | 33 | 92.7 Ų | 92.7 | 27% | 0.273 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.5 | -41.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V853 P854 M860 H861 | V853-A857 HydrophobicContact CG1-CB 4.19Å; P854-A857 WeakPolarHBondContact O-CB 3.23Å; P854-A857 PolarHBondContact O-N 2.76Å; A857-M860 PolarHBondContact O-N 2.87Å; A857-H861 WeakPolarHBondContact O-CB 3.33Å; A857-H861 PolarHBondContact O-N 3.15Å |
| 858 | L | 47 | Very low | 54.4 | Low | 71 Ų | 71 | 88 Ų | 88 | 37% | 0.372 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 173.5 | -78.5 | 165 | 0 | 0 | 0 | 112.1 | V853 P854 L855 H861 K862 | V853-L858 HydrophobicContact CB-CD1 4.44Å; V853-L858 HydrophobicContact CG1-CD1 4.26Å; V853-L858 HydrophobicContact CG1-CG 3.91Å; P854-L858 PolarHBondContact O-N 2.57Å; L855-L858 PolarHBondContact O-N 3.13Å; L858-H861 PolarHBondContact O-N 2.74Å; L858-K862 WeakPolarHBondContact O-CB 3.39Å; L858-K862 PolarHBondContact O-N 3.45Å |
| 859 | Q | 60.2 | Low | 57 | Low | 125 Ų | 125 | 86.1 Ų | 86.1 | 58% | 0.584 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.3 | -41.8 | 175.2 | -74.7 | 175.5 | -4.3 | 0 | 0 | 112.3 | L855 S856 K863 | L855-Q859 WeakPolarHBondContact O-CG 3.28Å; L855-Q859 PolarHBondContact O-N 3.47Å; S856-Q859 PolarHBondContact O-N 2.77Å; Q859-K863 WeakPolarHBondContact O-CB 3.3Å; Q859-K863 PolarHBondContact O-N 3.08Å |
| 860 | M | 54.6 | Low | 59.8 | Low | 72 Ų | 72 | 83.8 Ų | 83.8 | 36% | 0.355 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 176.4 | -73.4 | 168.1 | 171.2 | 0 | 0 | 112.3 | S856 A857 K863 R864 T992 | S856-M860 WeakPolarHBondContact O-CB 3.27Å; S856-M860 VanDerWaalsContact O-CG 3.27Å; S856-M860 WeakPolarHBondContact O-CG 3.47Å; S856-M860 PolarHBondContact O-N 3.22Å; A857-M860 PolarHBondContact O-N 2.87Å; M860-K863 PolarHBondContact O-N 2.75Å; M860-R864 PolarHBondContact O-N 2.73Å; M860-T992 VanDerWaalsContact CE-O 3.28Å; M860-T992 WeakPolarHBondContact CE-O 3.38Å; M860-T992 VanDerWaalsContact SD-CB 3.59Å; M860-T992 PolarHBondContact SD-OG1 3.47Å |
| 861 | H | 57.3 | Low | 62.3 | Low | 96 Ų | 96 | 76.8 Ų | 76.8 | 44% | 0.444 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 177.1 | -171.6 | 68.9 | 0 | 0 | 0 | 111.6 | A857 L858 K863 R864 L865 | A857-H861 WeakPolarHBondContact O-CB 3.33Å; A857-H861 PolarHBondContact O-N 3.15Å; L858-H861 PolarHBondContact O-N 2.74Å; H861-K863 PolarHBondContact O-N 2.87Å; H861-R864 PolarHBondContact O-N 3.3Å; H861-L865 WeakPolarHBondContact O-CG 3.43Å; H861-L865 PolarHBondContact O-N 3.22Å |
| 862 | K | 64.2 | Low | 64.7 | Low | 128 Ų | 128 | 70 Ų | 70 | 56% | 0.557 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -56.7 | -49.2 | 171.2 | 176.9 | 178.6 | 167.4 | -179.8 | 0 | 111.6 | L858 R864 L865 E866 | L858-K862 WeakPolarHBondContact O-CB 3.39Å; L858-K862 PolarHBondContact O-N 3.45Å; K862-R864 VanDerWaalsContact C-N 3.29Å; K862-R864 PolarHBondContact O-N 2.65Å; K862-L865 PolarHBondContact O-N 2.52Å; K862-L865 VanDerWaalsContact O-N 3.16Å; K862-E866 WeakPolarHBondContact CE-OE1 3.31Å; K862-E866 IonicContact NZ-OE1 2.89Å; K862-E866 WeakPolarHBondContact O-CG 3.45Å; K862-E866 PolarHBondContact O-N 2.99Å |
| 863 | K | 75 | Confident | 66.9 | Low | 119 Ų | 119 | 67 Ų | 67 | 52% | 0.517 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.7 | -37 | 178.9 | -174.2 | 176.1 | -178.8 | 178.4 | 0 | 112.3 | Q859 M860 H861 E866 N867 | Q859-K863 WeakPolarHBondContact O-CB 3.3Å; Q859-K863 PolarHBondContact O-N 3.08Å; M860-K863 PolarHBondContact O-N 2.75Å; H861-K863 PolarHBondContact O-N 2.87Å; K863-E866 PolarHBondContact O-N 3.15Å; K863-N867 PolarHBondContact O-N 3.06Å; K863-N867 PolarHBondContact O-ND2 3.3Å; K863-N867 PolarHBondContact O-OD1 3.37Å |
| 864 | R | 73.3 | Confident | 69.3 | Low | 109 Ų | 109 | 64.2 Ų | 64.2 | 41% | 0.411 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.9 | -47.6 | 173.2 | -179.2 | 173.1 | 172.4 | 145.2 | 8.3 | 111.6 | M860 H861 K862 E866 N867 E868 | M860-R864 PolarHBondContact O-N 2.73Å; H861-R864 PolarHBondContact O-N 3.3Å; K862-R864 VanDerWaalsContact C-N 3.29Å; K862-R864 PolarHBondContact O-N 2.65Å; R864-E866 VanDerWaalsContact C-N 3.26Å; R864-E866 PolarHBondContact O-N 2.82Å; R864-N867 WeakPolarHBondContact O-CB 3.45Å; R864-N867 PolarHBondContact O-N 2.85Å; R864-N867 VanDerWaalsContact O-N 3.16Å; R864-E868 HydrophobicContact CG-CG 4.41Å; R864-E868 WeakPolarHBondContact CG-OE1 3.41Å; R864-E868 IonicContact CZ-OE1 2.7Å; R864-E868 IonicContact NE-OE1 2.67Å; R864-E868 PolarHBondContact NE-OE1 3.3Å; R864-E868 IonicContact NH2-OE1 2.63Å; R864-E868 PolarHBondContact NH2-OE1 2.76Å; R864-E868 WeakPolarHBondContact O-CG 3.33Å; R864-E868 PolarHBondContact O-N 2.78Å |
| 865 | L | 71.9 | Confident | 71.4 | Confident | 10 Ų | 10 | 60.6 Ų | 60.6 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.5 | -29.1 | 176.4 | -68.3 | 171.9 | 0 | 0 | 0 | 113.3 | T833 H861 K862 R869 | T833-L865 HydrophobicContact CG2-CD2 4.08Å; T833-L865 VanDerWaalsContact O-CD2 3.3Å; T833-L865 WeakPolarHBondContact O-CD2 3.37Å; H861-L865 WeakPolarHBondContact O-CG 3.43Å; H861-L865 PolarHBondContact O-N 3.22Å; K862-L865 PolarHBondContact O-N 2.52Å; K862-L865 VanDerWaalsContact O-N 3.16Å; L865-R869 WeakPolarHBondContact O-CG 3.38Å; L865-R869 PolarHBondContact O-N 3.27Å |
| 866 | E | 80.2 | Confident | 73.3 | Confident | 90 Ų | 90 | 59.7 Ų | 59.7 | 42% | 0.421 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71.8 | -43.2 | 172 | -72.1 | 170.2 | 162.7 | 0 | 0 | 111.4 | K862 K863 R864 R869 T870 | K862-E866 WeakPolarHBondContact CE-OE1 3.31Å; K862-E866 IonicContact NZ-OE1 2.89Å; K862-E866 WeakPolarHBondContact O-CG 3.45Å; K862-E866 PolarHBondContact O-N 2.99Å; K863-E866 PolarHBondContact O-N 3.15Å; R864-E866 VanDerWaalsContact C-N 3.26Å; R864-E866 PolarHBondContact O-N 2.82Å; E866-R869 PolarHBondContact O-N 2.73Å; E866-T870 PolarHBondContact O-N 3.36Å; E866-T870 VanDerWaalsContact O-N 3.09Å |
| 867 | N | 85.9 | Confident | 75.2 | Confident | 25 Ų | 25 | 59 Ų | 59 | 13% | 0.134 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 174.4 | -66 | -18.2 | 0 | 0 | 0 | 112.3 | K863 R864 R869 T870 I871 L895 Y901 | K863-N867 PolarHBondContact O-N 3.06Å; K863-N867 PolarHBondContact O-ND2 3.3Å; K863-N867 PolarHBondContact O-OD1 3.37Å; R864-N867 WeakPolarHBondContact O-CB 3.45Å; R864-N867 PolarHBondContact O-N 2.85Å; R864-N867 VanDerWaalsContact O-N 3.16Å; N867-R869 VanDerWaalsContact C-N 3.29Å; N867-R869 PolarHBondContact O-N 2.83Å; N867-T870 PolarHBondContact O-N 3.08Å; N867-T870 VanDerWaalsContact O-N 3.09Å; N867-T870 PolarHBondContact O-OG1 3.27Å; N867-I871 WeakPolarHBondContact O-CG1 3.37Å; N867-I871 PolarHBondContact O-N 3.14Å; N867-L895 HydrophobicContact CB-CD1 4.41Å; N867-L895 HydrophobicContact CB-CD2 3.89Å; N867-L895 VanDerWaalsContact CG-CD2 3.47Å; N867-Y901 HydrophobicContact CB-CE1 3.71Å; N867-Y901 HydrophobicContact CB-CE2 4.32Å; N867-Y901 PolarHBondContact ND2-OH 3.07Å; N867-Y901 VanDerWaalsContact ND2-OH 3.08Å |
| 868 | E | 80 | Confident | 77.2 | Confident | 5 Ų | 5 | 57.4 Ų | 57.4 | 2% | 0.023 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.4 | -36 | -179.5 | -68.2 | -178.6 | -170.3 | 0 | 0 | 111.6 | T833 L834 R864 I872 Y901 L904 | T833-E868 WeakPolarHBondContact CB-OE2 3.45Å; T833-E868 PolarHBondContact OG1-OE2 3Å; L834-E868 HydrophobicContact CD1-CB 4.22Å; R864-E868 HydrophobicContact CG-CG 4.41Å; R864-E868 WeakPolarHBondContact CG-OE1 3.41Å; R864-E868 IonicContact CZ-OE1 2.7Å; R864-E868 IonicContact NE-OE1 2.67Å; R864-E868 PolarHBondContact NE-OE1 3.3Å; R864-E868 IonicContact NH2-OE1 2.63Å; R864-E868 PolarHBondContact NH2-OE1 2.76Å; R864-E868 WeakPolarHBondContact O-CG 3.33Å; R864-E868 PolarHBondContact O-N 2.78Å; E868-I872 WeakPolarHBondContact O-CG1 3.38Å; E868-I872 PolarHBondContact O-N 3.28Å; E868-Y901 HydrophobicContact CG-CD1 4.38Å; E868-Y901 HydrophobicContact CG-CE1 3.79Å; E868-L904 HydrophobicContact CB-CD2 4.01Å; E868-L904 HydrophobicContact CG-CD2 3.96Å |
| 869 | R | 82.7 | Confident | 79.1 | Confident | 44 Ų | 44 | 58 Ų | 58 | 17% | 0.166 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -49.3 | 168.9 | -81.2 | -175.3 | -179.8 | 109.9 | -9.4 | 112.5 | L834 G837 D838 K841 L865 E866 N867 I871 I872 D873 | L834-R869 HydrophobicContact CD2-CB 4.44Å; L834-R869 HydrophobicContact CD2-CG 3.62Å; G837-R869 PolarHBondContact O-NH2 3.1Å; D838-R869 IonicContact OD1-CZ 2.73Å; D838-R869 IonicContact OD1-NE 3.93Å; D838-R869 IonicContact OD1-NH2 3.36Å; D838-R869 PolarHBondContact OD1-NH2 3.37Å; K841-R869 VanDerWaalsContact CE-NH2 3.26Å; L865-R869 WeakPolarHBondContact O-CG 3.38Å; L865-R869 PolarHBondContact O-N 3.27Å; E866-R869 PolarHBondContact O-N 2.73Å; N867-R869 VanDerWaalsContact C-N 3.29Å; N867-R869 PolarHBondContact O-N 2.83Å; R869-I871 PolarHBondContact O-N 3.43Å; R869-I872 PolarHBondContact O-N 2.87Å; R869-D873 PolarHBondContact O-N 2.89Å |
| 870 | T | 87.5 | Confident | 80.4 | Confident | 50 Ų | 50 | 57 Ų | 57 | 31% | 0.307 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62 | -32 | -178.7 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | E866 N867 L874 L895 | E866-T870 PolarHBondContact O-N 3.36Å; E866-T870 VanDerWaalsContact O-N 3.09Å; N867-T870 PolarHBondContact O-N 3.08Å; N867-T870 VanDerWaalsContact O-N 3.09Å; N867-T870 PolarHBondContact O-OG1 3.27Å; T870-L874 WeakPolarHBondContact O-CB 3.32Å; T870-L874 PolarHBondContact O-N 3.47Å; T870-L895 WeakPolarHBondContact OG1-CD1 3.35Å |
| 871 | I | 87.6 | Confident | 81.9 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.1 | -33 | 173.5 | -63.7 | -67.2 | 0 | 0 | 0 | 111.8 | N867 R869 L874 S875 L895 L896 Y901 L904 L905 | N867-I871 WeakPolarHBondContact O-CG1 3.37Å; N867-I871 PolarHBondContact O-N 3.14Å; R869-I871 PolarHBondContact O-N 3.43Å; I871-L874 HydrophobicContact CD1-CD2 4.38Å; I871-L874 WeakPolarHBondContact O-CB 3.31Å; I871-S875 PolarHBondContact O-N 3.15Å; I871-L895 HydrophobicContact CD1-CB 4.07Å; I871-L895 HydrophobicContact CD1-CD1 4.06Å; I871-L895 HydrophobicContact CG1-CD1 4.26Å; I871-L896 HydrophobicContact CD1-CD2 4.3Å; I871-Y901 HydrophobicContact CG1-CD1 4.09Å; I871-Y901 HydrophobicContact CG1-CG 4.25Å; I871-L904 HydrophobicContact CB-CD2 4.01Å; I871-L904 HydrophobicContact CB-CG 4.37Å; I871-L904 HydrophobicContact CG2-CB 4.26Å; I871-L904 HydrophobicContact CG2-CD2 3.88Å; I871-L904 HydrophobicContact CG2-CG 3.7Å; I871-L905 HydrophobicContact CG2-CB 3.74Å; I871-L905 HydrophobicContact CG2-CD1 4.21Å; I871-L905 HydrophobicContact CG2-CG 4.4Å |
| 872 | I | 84.9 | Confident | 83.3 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 5% | 0.046 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -77.4 | -40.3 | 178.1 | -76.9 | 169.3 | 0 | 0 | 0 | 112.4 | L834 E868 R869 L874 S875 K876 L904 | L834-I872 HydrophobicContact CD1-CD1 3.38Å; L834-I872 HydrophobicContact CD2-CD1 3.48Å; L834-I872 VanDerWaalsContact CD2-CD1 3.48Å; L834-I872 HydrophobicContact CG-CD1 4.03Å; E868-I872 WeakPolarHBondContact O-CG1 3.38Å; E868-I872 PolarHBondContact O-N 3.28Å; R869-I872 PolarHBondContact O-N 2.87Å; I872-L874 PolarHBondContact O-N 2.93Å; I872-S875 PolarHBondContact O-N 2.77Å; I872-S875 VanDerWaalsContact O-N 3.16Å; I872-S875 PolarHBondContact O-OG 3.49Å; I872-K876 WeakPolarHBondContact O-CG 3.47Å; I872-K876 PolarHBondContact O-N 3.45Å; I872-L904 HydrophobicContact CD1-CD1 4.21Å; I872-L904 HydrophobicContact CG1-CD1 4.26Å |
| 873 | D | 85.6 | Confident | 84.2 | Confident | 91 Ų | 91 | 54.9 Ų | 54.9 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67 | -31.8 | 173.6 | -65.1 | -34.4 | 0 | 0 | 0 | 110.9 | R869 S877 | R869-D873 PolarHBondContact O-N 2.89Å; D873-S877 WeakPolarHBondContact O-CB 3.13Å; D873-S877 PolarHBondContact O-N 2.66Å; D873-S877 PolarHBondContact O-OG 3.19Å |
| 874 | L | 89.3 | Confident | 84.4 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -49 | 166.1 | 170.9 | 62 | 0 | 0 | 0 | 112.1 | T870 I871 I872 K876 S877 I878 P884 I892 L905 W940 | T870-L874 WeakPolarHBondContact O-CB 3.32Å; T870-L874 PolarHBondContact O-N 3.47Å; I871-L874 HydrophobicContact CD1-CD2 4.38Å; I871-L874 WeakPolarHBondContact O-CB 3.31Å; I872-L874 PolarHBondContact O-N 2.93Å; L874-K876 VanDerWaalsContact C-N 3.3Å; L874-K876 PolarHBondContact O-N 3.5Å; L874-S877 WeakPolarHBondContact O-CB 3.47Å; L874-S877 PolarHBondContact O-N 3.24Å; L874-S877 VanDerWaalsContact O-N 3.09Å; L874-I878 HydrophobicContact CD1-CD1 3.64Å; L874-I878 HydrophobicContact CD1-CG1 4.02Å; L874-I878 HydrophobicContact CG-CD1 3.72Å; L874-I878 WeakPolarHBondContact O-CD1 3.09Å; L874-I878 WeakPolarHBondContact O-CG1 3.46Å; L874-I878 PolarHBondContact O-N 2.95Å; L874-P884 HydrophobicContact CD1-CG 3.32Å; L874-I892 HydrophobicContact CD1-CD1 3.99Å; L874-I892 HydrophobicContact CD2-CB 4.49Å; L874-I892 HydrophobicContact CD2-CD1 4Å; L874-I892 HydrophobicContact CD2-CG1 4.02Å; L874-I892 HydrophobicContact CD2-CG2 3.66Å; L874-L905 HydrophobicContact CD2-CD1 4.36Å; L874-L905 HydrophobicContact CD2-CD2 3.6Å; L874-L905 HydrophobicContact CG-CD1 4.21Å; L874-L905 HydrophobicContact CG-CD2 4.23Å; L874-W940 HydrophobicContact CD1-CZ3 4.43Å |
| 875 | S | 88.3 | Confident | 84.6 | Confident | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 179.5 | 78.3 | 0 | 0 | 0 | 0 | 112.2 | I871 I872 I878 K879 R908 | I871-S875 PolarHBondContact O-N 3.15Å; I872-S875 PolarHBondContact O-N 2.77Å; I872-S875 VanDerWaalsContact O-N 3.16Å; I872-S875 PolarHBondContact O-OG 3.49Å; S875-I878 PolarHBondContact O-N 2.91Å; S875-K879 PolarHBondContact O-N 2.94Å; S875-K879 VanDerWaalsContact O-N 3.09Å; S875-R908 WeakPolarHBondContact OG-CD 3.42Å |
| 876 | K | 88.2 | Confident | 84.4 | Confident | 103 Ų | 103 | 56.7 Ų | 56.7 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 172.6 | -71.1 | -178.3 | 176.1 | -169.6 | 0 | 111.9 | I872 L874 I878 K879 Q880 | I872-K876 WeakPolarHBondContact O-CG 3.47Å; I872-K876 PolarHBondContact O-N 3.45Å; L874-K876 VanDerWaalsContact C-N 3.3Å; L874-K876 PolarHBondContact O-N 3.5Å; K876-I878 PolarHBondContact O-N 3.35Å; K876-K879 PolarHBondContact O-N 3.06Å; K876-Q880 WeakPolarHBondContact O-CG 3.35Å; K876-Q880 PolarHBondContact O-N 2.87Å; K876-Q880 VanDerWaalsContact O-N 3.1Å |
| 877 | S | 89.1 | Confident | 83.4 | Confident | 42 Ų | 42 | 61.1 Ų | 61.1 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 177.4 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | D873 L874 Q880 G881 R882 | D873-S877 WeakPolarHBondContact O-CB 3.13Å; D873-S877 PolarHBondContact O-N 2.66Å; D873-S877 PolarHBondContact O-OG 3.19Å; L874-S877 WeakPolarHBondContact O-CB 3.47Å; L874-S877 PolarHBondContact O-N 3.24Å; L874-S877 VanDerWaalsContact O-N 3.09Å; S877-Q880 CarbonylContact O-C 3.56Å; S877-Q880 WeakPolarHBondContact O-CA 3.39Å; S877-Q880 WeakPolarHBondContact O-CB 3.16Å; S877-Q880 PolarHBondContact O-N 3.31Å; S877-Q880 VanDerWaalsContact O-N 3.12Å; S877-G881 PolarHBondContact O-N 3.07Å; S877-R882 WeakPolarHBondContact O-CB 3.4Å; S877-R882 PolarHBondContact O-N 3.35Å |
| 878 | I | 88.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 177.1 | -67 | 155.4 | 0 | 0 | 0 | 111.3 | L874 S875 K876 Q880 G881 L905 I909 A937 I938 T941 | L874-I878 HydrophobicContact CD1-CD1 3.64Å; L874-I878 HydrophobicContact CD1-CG1 4.02Å; L874-I878 HydrophobicContact CG-CD1 3.72Å; L874-I878 WeakPolarHBondContact O-CD1 3.09Å; L874-I878 WeakPolarHBondContact O-CG1 3.46Å; L874-I878 PolarHBondContact O-N 2.95Å; S875-I878 PolarHBondContact O-N 2.91Å; K876-I878 PolarHBondContact O-N 3.35Å; I878-Q880 PolarHBondContact O-N 3.34Å; I878-G881 PolarHBondContact O-N 3.44Å; I878-L905 HydrophobicContact CD1-CD1 4.01Å; I878-I909 HydrophobicContact CG2-CG2 4.17Å; I878-A937 HydrophobicContact CB-CB 4.43Å; I878-A937 HydrophobicContact CG2-CB 4.06Å; I878-I938 HydrophobicContact CG2-CG1 3.66Å; I878-T941 HydrophobicContact CD1-CG2 3.84Å; I878-T941 WeakPolarHBondContact CD1-OG1 3.3Å; I878-T941 WeakPolarHBondContact CG1-OG1 3.4Å |
| 879 | K | 86.4 | Confident | 83.1 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 37% | 0.365 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.1 | -19.4 | 174.8 | -81.1 | -172.7 | 156.9 | 171 | 0 | 113.6 | S875 K876 R908 D911 Q934 | S875-K879 PolarHBondContact O-N 2.94Å; S875-K879 VanDerWaalsContact O-N 3.09Å; K876-K879 PolarHBondContact O-N 3.06Å; K879-R908 WeakPolarHBondContact CE-O 3.48Å; K879-R908 PolarHBondContact NZ-O 3.44Å; K879-D911 WeakPolarHBondContact CE-OD1 3.42Å; K879-D911 IonicContact NZ-OD1 3.56Å; K879-D911 PolarHBondContact NZ-OD1 3.48Å; K879-Q934 PolarHBondContact O-NE2 3.02Å |
| 880 | Q | 87.6 | Confident | 83.2 | Confident | 105 Ų | 105 | 68.9 Ų | 68.9 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 6.5 | 169.2 | -67.1 | 173.5 | 6.8 | 0 | 0 | 114 | K876 S877 I878 R882 | K876-Q880 WeakPolarHBondContact O-CG 3.35Å; K876-Q880 PolarHBondContact O-N 2.87Å; K876-Q880 VanDerWaalsContact O-N 3.1Å; S877-Q880 CarbonylContact O-C 3.56Å; S877-Q880 WeakPolarHBondContact O-CA 3.39Å; S877-Q880 WeakPolarHBondContact O-CB 3.16Å; S877-Q880 PolarHBondContact O-N 3.31Å; S877-Q880 VanDerWaalsContact O-N 3.12Å; I878-Q880 PolarHBondContact O-N 3.34Å; Q880-R882 VanDerWaalsContact C-N 3.27Å; Q880-R882 HydrophobicContact CB-CG 4.31Å; Q880-R882 PolarHBondContact O-N 3.14Å |
| 881 | G | 86.2 | Confident | 83.2 | Confident | 12 Ų | 12 | 71.3 Ų | 71.3 | 12% | 0.124 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 15.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | S877 I878 D933 | S877-G881 PolarHBondContact O-N 3.07Å; I878-G881 PolarHBondContact O-N 3.44Å; G881-D933 VanDerWaalsContact CA-C 3.5Å; G881-D933 WeakPolarHBondContact CA-O 3.14Å |
| 882 | R | 86.4 | Confident | 83.2 | Confident | 159 Ų | 159 | 71.9 Ų | 71.9 | 60% | 0.6 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -96.9 | 116.3 | -175.3 | -66.3 | 171.2 | 173.2 | 170.7 | -8.7 | 110.8 | S877 Q880 | S877-R882 WeakPolarHBondContact O-CB 3.4Å; S877-R882 PolarHBondContact O-N 3.35Å; Q880-R882 VanDerWaalsContact C-N 3.27Å; Q880-R882 HydrophobicContact CB-CG 4.31Å; Q880-R882 PolarHBondContact O-N 3.14Å |
| 883 | I | 83.3 | Confident | 83.4 | Confident | 79 Ų | 79 | 73.1 Ų | 73.1 | 41% | 0.405 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 132.8 | 176 | -59.1 | 179.2 | 0 | 0 | 0 | 109.8 | K936 A937 W940 | I883-K936 HydrophobicContact CD1-CB 4.2Å; I883-A937 HydrophobicContact CG1-CB 4.15Å; I883-W940 HydrophobicContact CG2-CD2 3.94Å; I883-W940 HydrophobicContact CG2-CG 3.87Å |
| 884 | P | 78.8 | Confident | 83.4 | Confident | 22 Ų | 22 | 72.8 Ų | 72.8 | 14% | 0.143 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 145.1 | -177.4 | -22.5 | 33.7 | 0 | 0 | 0 | 115.4 | L874 S888 I892 W940 | L874-P884 HydrophobicContact CD1-CG 3.32Å; P884-S888 VanDerWaalsContact CB-OG 3.23Å; P884-S888 WeakPolarHBondContact CB-OG 3.44Å; P884-I892 HydrophobicContact CB-CD1 3.65Å; P884-I892 HydrophobicContact CG-CD1 3.78Å; P884-W940 HydrophobicContact CB-CH2 4.01Å; P884-W940 HydrophobicContact CB-CZ2 4.43Å; P884-W940 HydrophobicContact CG-CE3 4.5Å; P884-W940 HydrophobicContact CG-CH2 3.6Å; P884-W940 HydrophobicContact CG-CZ2 4.31Å; P884-W940 HydrophobicContact CG-CZ3 3.71Å |
| 885 | N | 77.7 | Confident | 83.4 | Confident | 126 Ų | 126 | 73.1 Ų | 73.1 | 67% | 0.674 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 149.7 | -179.9 | -51.3 | 29.9 | 0 | 0 | 0 | 112 | F887 S888 R889 | N885-F887 VanDerWaalsContact C-N 3.26Å; N885-F887 PolarHBondContact O-N 3.23Å; N885-S888 PolarHBondContact N-OG 2.83Å; N885-S888 WeakPolarHBondContact O-CA 3.49Å; N885-S888 PolarHBondContact O-N 3.11Å; N885-S888 PolarHBondContact O-OG 3.47Å; N885-R889 PolarHBondContact O-N 3.45Å; N885-R889 VanDerWaalsContact O-N 3.07Å |
| 886 | I | 68.3 | Low | 83.5 | Confident | 129 Ų | 129 | 72.9 Ų | 72.9 | 66% | 0.662 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -57.3 | -32.1 | -170.7 | -150.9 | 167.5 | 0 | 0 | 0 | 114.7 | R889 | I886-R889 WeakPolarHBondContact O-CB 3.45Å |
| 887 | F | 58.1 | Low | 83.4 | Confident | 182 Ų | 182 | 69.6 Ų | 69.6 | 80% | 0.798 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -69 | -43.4 | 174.3 | -62.2 | -76.3 | 0 | 0 | 0 | 112.5 | N885 R889 N890 | N885-F887 VanDerWaalsContact C-N 3.26Å; N885-F887 PolarHBondContact O-N 3.23Å; F887-R889 VanDerWaalsContact C-N 3.28Å; F887-R889 PolarHBondContact O-N 3.01Å; F887-N890 PolarHBondContact O-N 3.39Å |
| 888 | S | 79.7 | Confident | 83 | Confident | 35 Ų | 35 | 68.2 Ų | 68.2 | 25% | 0.245 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.9 | -30.6 | 176.6 | 69.9 | 0 | 0 | 0 | 0 | 112.3 | P884 N885 N890 Q891 I892 | P884-S888 VanDerWaalsContact CB-OG 3.23Å; P884-S888 WeakPolarHBondContact CB-OG 3.44Å; N885-S888 PolarHBondContact N-OG 2.83Å; N885-S888 WeakPolarHBondContact O-CA 3.49Å; N885-S888 PolarHBondContact O-N 3.11Å; N885-S888 PolarHBondContact O-OG 3.47Å; S888-N890 VanDerWaalsContact C-N 3.28Å; S888-N890 PolarHBondContact O-N 2.9Å; S888-Q891 WeakPolarHBondContact O-CB 3.1Å; S888-Q891 PolarHBondContact O-N 3.44Å; S888-Q891 VanDerWaalsContact O-N 3.11Å; S888-I892 WeakPolarHBondContact O-CB 3.46Å; S888-I892 VanDerWaalsContact O-CG1 3.26Å; S888-I892 WeakPolarHBondContact O-CG1 3.49Å; S888-I892 PolarHBondContact O-N 2.97Å |
| 889 | R | 81.2 | Confident | 82.7 | Confident | 90 Ų | 90 | 69.4 Ų | 69.4 | 34% | 0.34 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56 | -38.4 | 177.5 | -176.4 | 172.6 | -171.9 | -167 | -2.6 | 113 | N885 I886 F887 I892 N893 W940 Q944 | N885-R889 PolarHBondContact O-N 3.45Å; N885-R889 VanDerWaalsContact O-N 3.07Å; I886-R889 WeakPolarHBondContact O-CB 3.45Å; F887-R889 VanDerWaalsContact C-N 3.28Å; F887-R889 PolarHBondContact O-N 3.01Å; R889-I892 PolarHBondContact O-N 2.94Å; R889-N893 VanDerWaalsContact O-CB 3.27Å; R889-N893 WeakPolarHBondContact O-CB 3.36Å; R889-N893 PolarHBondContact O-N 2.99Å; R889-N893 PolarHBondContact O-OD1 3.08Å; R889-W940 HydrophobicContact CB-CZ2 4.1Å; R889-W940 HydrophobicContact CG-CH2 4.41Å; R889-W940 HydrophobicContact CG-CZ2 3.7Å; R889-Q944 VanDerWaalsContact CZ-OE1 3.32Å |
| 890 | N | 84.1 | Confident | 82.3 | Confident | 113 Ų | 113 | 68.9 Ų | 68.9 | 60% | 0.604 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -69.9 | -38.3 | 178.6 | -71.8 | -9.5 | 0 | 0 | 0 | 112 | F887 S888 T894 | F887-N890 PolarHBondContact O-N 3.39Å; S888-N890 VanDerWaalsContact C-N 3.28Å; S888-N890 PolarHBondContact O-N 2.9Å; N890-T894 WeakPolarHBondContact O-CB 3.45Å; N890-T894 PolarHBondContact O-N 2.86Å; N890-T894 VanDerWaalsContact O-N 3.1Å; N890-T894 PolarHBondContact O-OG1 3.24Å |
| 891 | Q | 88 | Confident | 82.3 | Confident | 101 Ų | 101 | 65 Ų | 65 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.6 | -49 | 172.8 | -178.1 | 179.7 | -1.2 | 0 | 0 | 110.7 | S888 N893 T894 L895 | S888-Q891 WeakPolarHBondContact O-CB 3.1Å; S888-Q891 PolarHBondContact O-N 3.44Å; S888-Q891 VanDerWaalsContact O-N 3.11Å; Q891-N893 PolarHBondContact O-N 2.91Å; Q891-T894 WeakPolarHBondContact O-CA 3.36Å; Q891-T894 WeakPolarHBondContact O-CB 3.37Å; Q891-T894 PolarHBondContact O-N 3.44Å; Q891-L895 HydrophobicContact CG-CD1 4.42Å; Q891-L895 WeakPolarHBondContact O-CG 3.35Å; Q891-L895 PolarHBondContact O-N 3.32Å |
| 892 | I | 88.1 | Confident | 82.4 | Confident | 13 Ų | 13 | 64.5 Ų | 64.5 | 7% | 0.067 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59 | -47.9 | 178.7 | -67.3 | 164.1 | 0 | 0 | 0 | 110.8 | L874 P884 S888 R889 T894 L895 L896 W940 | L874-I892 HydrophobicContact CD1-CD1 3.99Å; L874-I892 HydrophobicContact CD2-CB 4.49Å; L874-I892 HydrophobicContact CD2-CD1 4Å; L874-I892 HydrophobicContact CD2-CG1 4.02Å; L874-I892 HydrophobicContact CD2-CG2 3.66Å; P884-I892 HydrophobicContact CB-CD1 3.65Å; P884-I892 HydrophobicContact CG-CD1 3.78Å; S888-I892 WeakPolarHBondContact O-CB 3.46Å; S888-I892 VanDerWaalsContact O-CG1 3.26Å; S888-I892 WeakPolarHBondContact O-CG1 3.49Å; S888-I892 PolarHBondContact O-N 2.97Å; R889-I892 PolarHBondContact O-N 2.94Å; I892-T894 PolarHBondContact O-N 3.43Å; I892-L895 PolarHBondContact O-N 3.09Å; I892-L895 VanDerWaalsContact O-N 3.09Å; I892-L896 HydrophobicContact CG2-CD1 3.71Å; I892-L896 HydrophobicContact CG2-CG 4.2Å; I892-L896 WeakPolarHBondContact O-CG 3.19Å; I892-L896 PolarHBondContact O-N 3.33Å; I892-W940 HydrophobicContact CD1-CH2 4.24Å; I892-W940 HydrophobicContact CG2-CH2 4.32Å |
| 893 | N | 87.7 | Confident | 82.2 | Confident | 35 Ų | 35 | 58.2 Ų | 58.2 | 19% | 0.187 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -26.7 | 176.8 | -73.2 | 7.9 | 0 | 0 | 0 | 112.7 | R889 Q891 Q897 Q944 | R889-N893 VanDerWaalsContact O-CB 3.27Å; R889-N893 WeakPolarHBondContact O-CB 3.36Å; R889-N893 PolarHBondContact O-N 2.99Å; R889-N893 PolarHBondContact O-OD1 3.08Å; Q891-N893 PolarHBondContact O-N 2.91Å; N893-Q897 WeakPolarHBondContact O-CG 3.42Å; N893-Q944 PolarHBondContact ND2-OE1 3.49Å; N893-Q944 VanDerWaalsContact ND2-OE1 3.08Å; N893-Q944 WeakPolarHBondContact OD1-CB 3.44Å; N893-Q944 VanDerWaalsContact OD1-CG 3.23Å; N893-Q944 WeakPolarHBondContact OD1-CG 3.34Å; N893-Q944 PolarHBondContact OD1-OE1 3.5Å |
| 894 | T | 87.6 | Confident | 82.1 | Confident | 84 Ų | 84 | 55 Ų | 55 | 52% | 0.515 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -77.4 | -35 | 173.8 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | N890 Q891 I892 Q897 | N890-T894 WeakPolarHBondContact O-CB 3.45Å; N890-T894 PolarHBondContact O-N 2.86Å; N890-T894 VanDerWaalsContact O-N 3.1Å; N890-T894 PolarHBondContact O-OG1 3.24Å; Q891-T894 WeakPolarHBondContact O-CA 3.36Å; Q891-T894 WeakPolarHBondContact O-CB 3.37Å; Q891-T894 PolarHBondContact O-N 3.44Å; I892-T894 PolarHBondContact O-N 3.43Å; T894-Q897 WeakPolarHBondContact O-CB 3.48Å |
| 895 | L | 88.9 | Confident | 82.5 | Confident | 16 Ų | 16 | 54 Ų | 54 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.8 | -44.2 | 174.2 | -65.8 | 177.2 | 0 | 0 | 0 | 111.5 | N867 T870 I871 Q891 I892 Q897 D898 Y901 | N867-L895 HydrophobicContact CB-CD1 4.41Å; N867-L895 HydrophobicContact CB-CD2 3.89Å; N867-L895 VanDerWaalsContact CG-CD2 3.47Å; T870-L895 WeakPolarHBondContact OG1-CD1 3.35Å; I871-L895 HydrophobicContact CD1-CB 4.07Å; I871-L895 HydrophobicContact CD1-CD1 4.06Å; I871-L895 HydrophobicContact CG1-CD1 4.26Å; Q891-L895 HydrophobicContact CG-CD1 4.42Å; Q891-L895 WeakPolarHBondContact O-CG 3.35Å; Q891-L895 PolarHBondContact O-N 3.32Å; I892-L895 PolarHBondContact O-N 3.09Å; I892-L895 VanDerWaalsContact O-N 3.09Å; L895-Q897 PolarHBondContact O-N 3.07Å; L895-D898 WeakPolarHBondContact O-CB 3.4Å; L895-D898 PolarHBondContact O-N 3.29Å; L895-Y901 HydrophobicContact CB-CD2 4.03Å; L895-Y901 HydrophobicContact CB-CG 4.4Å; L895-Y901 HydrophobicContact CD2-CD2 4.06Å; L895-Y901 HydrophobicContact CD2-CE2 3.95Å; L895-Y901 WeakPolarHBondContact O-CD2 3.11Å |
| 896 | L | 88.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -0.8 | -179.4 | -64.1 | 176.6 | 0 | 0 | 0 | 114.5 | I871 I892 R902 L905 Q944 M945 G948 | I871-L896 HydrophobicContact CD1-CD2 4.3Å; I892-L896 HydrophobicContact CG2-CD1 3.71Å; I892-L896 HydrophobicContact CG2-CG 4.2Å; I892-L896 WeakPolarHBondContact O-CG 3.19Å; I892-L896 PolarHBondContact O-N 3.33Å; L896-R902 HydrophobicContact CB-CG 4.42Å; L896-R902 HydrophobicContact CD2-CG 4.25Å; L896-R902 WeakPolarHBondContact O-CD 3.47Å; L896-R902 VanDerWaalsContact O-CG 3.3Å; L896-R902 WeakPolarHBondContact O-CG 3.45Å; L896-R902 PolarHBondContact O-NH1 3.08Å; L896-L905 HydrophobicContact CD1-CD2 4.31Å; L896-L905 HydrophobicContact CD2-CD2 3.88Å; L896-Q944 HydrophobicContact CD1-CB 3.93Å; L896-M945 HydrophobicContact CD1-CG 4.12Å; L896-M945 HydrophobicContact CD2-CG 4.39Å; L896-G948 WeakPolarHBondContact O-CA 3.32Å |
| 897 | Q | 86.6 | Confident | 83.5 | Confident | 34 Ų | 34 | 43 Ų | 43 | 16% | 0.159 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -25.7 | 162 | -67.6 | 174.3 | 7.5 | 0 | 0 | 112.1 | N893 T894 L895 R902 Y951 | N893-Q897 WeakPolarHBondContact O-CG 3.42Å; T894-Q897 WeakPolarHBondContact O-CB 3.48Å; L895-Q897 PolarHBondContact O-N 3.07Å; Q897-R902 PolarHBondContact O-NH1 3.42Å; Q897-Y951 HydrophobicContact CB-CD1 3.58Å; Q897-Y951 HydrophobicContact CB-CE1 4Å; Q897-Y951 HydrophobicContact CB-CG 4.27Å; Q897-Y951 HydrophobicContact CG-CD1 3.48Å; Q897-Y951 VanDerWaalsContact CG-CD1 3.48Å; Q897-Y951 HydrophobicContact CG-CD2 4.36Å; Q897-Y951 HydrophobicContact CG-CE1 4.04Å; Q897-Y951 HydrophobicContact CG-CG 3.65Å; Q897-Y951 VanDerWaalsContact OE1-CE1 3.32Å |
| 898 | D | 80.5 | Confident | 84.6 | Confident | 13 Ų | 13 | 37.4 Ų | 37.4 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -93.3 | 123.4 | 175.4 | -158.6 | -53.6 | 0 | 0 | 0 | 110.4 | L895 N900 Y901 R902 S997 | L895-D898 WeakPolarHBondContact O-CB 3.4Å; L895-D898 PolarHBondContact O-N 3.29Å; D898-N900 VanDerWaalsContact C-N 3.26Å; D898-N900 PolarHBondContact O-N 3.24Å; D898-N900 WeakPolarHBondContact OD1-CB 3.39Å; D898-N900 PolarHBondContact OD1-N 3.26Å; D898-Y901 HydrophobicContact CB-CD2 3.62Å; D898-Y901 HydrophobicContact CB-CE2 4.08Å; D898-Y901 HydrophobicContact CB-CG 4.47Å; D898-Y901 PolarHBondContact O-N 3.34Å; D898-Y901 VanDerWaalsContact O-N 3.11Å; D898-R902 PolarHBondContact O-N 3.14Å; D898-S997 CarbonylContact C-O 3.44Å; D898-S997 WeakPolarHBondContact CA-O 3.22Å; D898-S997 VanDerWaalsContact CG-OG 3.26Å; D898-S997 WeakPolarHBondContact OD1-CB 3.5Å; D898-S997 VanDerWaalsContact OD1-O 3.07Å; D898-S997 PolarHBondContact OD1-OG 3.43Å; D898-S997 PolarHBondContact OD2-N 2.89Å; D898-S997 PolarHBondContact OD2-OG 2.95Å |
| 899 | E | 81.7 | Confident | 85 | Confident | 26 Ų | 26 | 35.9 Ų | 35.9 | 12% | 0.121 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.1 | -34.4 | 174.3 | 179.4 | 155.6 | -116.6 | 0 | 0 | 113 | Y901 R902 N903 S997 G999 A1001 S1002 | E899-Y901 VanDerWaalsContact C-N 3.28Å; E899-Y901 PolarHBondContact O-N 2.83Å; E899-R902 PolarHBondContact O-N 2.64Å; E899-R902 VanDerWaalsContact O-N 3.16Å; E899-N903 WeakPolarHBondContact CG-ND2 3.24Å; E899-N903 WeakPolarHBondContact O-CB 3.28Å; E899-N903 PolarHBondContact O-N 2.86Å; E899-N903 PolarHBondContact O-OD1 3.04Å; E899-S997 WeakPolarHBondContact CB-O 3.31Å; E899-S997 PolarHBondContact N-O 3Å; E899-G999 VanDerWaalsContact CD-C 3.42Å; E899-G999 VanDerWaalsContact CD-O 3.27Å; E899-G999 VanDerWaalsContact OE2-C 3.27Å; E899-G999 WeakPolarHBondContact OE2-CA 3.48Å; E899-G999 PolarHBondContact OE2-N 3.05Å; E899-G999 VanDerWaalsContact OE2-N 3.11Å; E899-A1001 PolarHBondContact OE1-N 3.43Å; E899-S1002 VanDerWaalsContact OE1-CB 3.26Å; E899-S1002 WeakPolarHBondContact OE1-CB 3.47Å; E899-S1002 PolarHBondContact OE1-N 3.37Å; E899-S1002 PolarHBondContact OE1-OG 3.43Å |
| 900 | N | 79.6 | Confident | 85.2 | Confident | 72 Ų | 72 | 31.6 Ų | 31.6 | 39% | 0.385 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.2 | -37.7 | 176 | -82.2 | -52.7 | 0 | 0 | 0 | 111.5 | D898 L904 S997 | D898-N900 VanDerWaalsContact C-N 3.26Å; D898-N900 PolarHBondContact O-N 3.24Å; D898-N900 WeakPolarHBondContact OD1-CB 3.39Å; D898-N900 PolarHBondContact OD1-N 3.26Å; N900-L904 WeakPolarHBondContact O-CB 3.41Å; N900-L904 PolarHBondContact O-N 2.98Å; N900-S997 WeakPolarHBondContact ND2-CB 3.09Å; N900-S997 PolarHBondContact ND2-OG 2.68Å |
| 901 | Y | 86.4 | Confident | 85 | Confident | 24 Ų | 24 | 28.9 Ų | 28.9 | 9% | 0.094 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -78.4 | -28 | 174.4 | -58.2 | -49.9 | 0 | 0 | 0 | 112.5 | N867 E868 I871 L895 D898 E899 L904 L905 | N867-Y901 HydrophobicContact CB-CE1 3.71Å; N867-Y901 HydrophobicContact CB-CE2 4.32Å; N867-Y901 PolarHBondContact ND2-OH 3.07Å; N867-Y901 VanDerWaalsContact ND2-OH 3.08Å; E868-Y901 HydrophobicContact CG-CD1 4.38Å; E868-Y901 HydrophobicContact CG-CE1 3.79Å; I871-Y901 HydrophobicContact CG1-CD1 4.09Å; I871-Y901 HydrophobicContact CG1-CG 4.25Å; L895-Y901 HydrophobicContact CB-CD2 4.03Å; L895-Y901 HydrophobicContact CB-CG 4.4Å; L895-Y901 HydrophobicContact CD2-CD2 4.06Å; L895-Y901 HydrophobicContact CD2-CE2 3.95Å; L895-Y901 WeakPolarHBondContact O-CD2 3.11Å; D898-Y901 HydrophobicContact CB-CD2 3.62Å; D898-Y901 HydrophobicContact CB-CE2 4.08Å; D898-Y901 HydrophobicContact CB-CG 4.47Å; D898-Y901 PolarHBondContact O-N 3.34Å; D898-Y901 VanDerWaalsContact O-N 3.11Å; E899-Y901 VanDerWaalsContact C-N 3.28Å; E899-Y901 PolarHBondContact O-N 2.83Å; Y901-L904 HydrophobicContact CD1-CD2 4.39Å; Y901-L905 WeakPolarHBondContact O-CB 3.22Å; Y901-L905 PolarHBondContact O-N 2.92Å |
| 902 | R | 88.1 | Confident | 84.6 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.8 | -54.3 | 168.5 | -65.3 | -167.1 | -74.7 | -94.9 | 13.1 | 110.8 | L896 Q897 D898 E899 L904 L905 I906 S952 G999 S1002 | L896-R902 HydrophobicContact CB-CG 4.42Å; L896-R902 HydrophobicContact CD2-CG 4.25Å; L896-R902 WeakPolarHBondContact O-CD 3.47Å; L896-R902 VanDerWaalsContact O-CG 3.3Å; L896-R902 WeakPolarHBondContact O-CG 3.45Å; L896-R902 PolarHBondContact O-NH1 3.08Å; Q897-R902 PolarHBondContact O-NH1 3.42Å; D898-R902 PolarHBondContact O-N 3.14Å; E899-R902 PolarHBondContact O-N 2.64Å; E899-R902 VanDerWaalsContact O-N 3.16Å; R902-L904 PolarHBondContact O-N 3.26Å; R902-L905 PolarHBondContact O-N 3.14Å; R902-L905 VanDerWaalsContact O-N 3.09Å; R902-I906 WeakPolarHBondContact O-CG1 3.46Å; R902-I906 PolarHBondContact O-N 3.06Å; R902-S952 PolarHBondContact NH2-OG 3.33Å; R902-G999 PolarHBondContact NH2-O 2.88Å; R902-S1002 PolarHBondContact NE-OG 3.44Å; R902-S1002 PolarHBondContact NH2-OG 2.85Å |
| 903 | N | 82.8 | Confident | 83.7 | Confident | 27 Ų | 27 | 25.6 Ų | 25.6 | 14% | 0.144 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.5 | -47 | -178.7 | -66.5 | -7.1 | 0 | 0 | 0 | 111.3 | E899 L905 I906 A907 S1002 M1005 | E899-N903 WeakPolarHBondContact CG-ND2 3.24Å; E899-N903 WeakPolarHBondContact O-CB 3.28Å; E899-N903 PolarHBondContact O-N 2.86Å; E899-N903 PolarHBondContact O-OD1 3.04Å; N903-L905 VanDerWaalsContact C-N 3.27Å; N903-L905 PolarHBondContact O-N 3.26Å; N903-I906 PolarHBondContact O-N 2.87Å; N903-A907 VanDerWaalsContact O-CB 3.29Å; N903-A907 WeakPolarHBondContact O-CB 3.49Å; N903-A907 PolarHBondContact O-N 3.09Å; N903-S1002 VanDerWaalsContact OD1-CB 3.27Å; N903-S1002 WeakPolarHBondContact OD1-CB 3.43Å; N903-M1005 HydrophobicContact CB-CE 4.11Å; N903-M1005 WeakPolarHBondContact OD1-CE 3.38Å |
| 904 | L | 82.2 | Confident | 82.5 | Confident | 13 Ų | 13 | 26.6 Ų | 26.6 | 7% | 0.068 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -53.9 | -41.3 | 173.7 | 174.2 | 54.7 | 0 | 0 | 0 | 112.8 | T830 S831 E868 I871 I872 N900 Y901 R902 | T830-L904 HydrophobicContact CG2-CD1 3.24Å; S831-L904 VanDerWaalsContact OG-CD1 3.26Å; S831-L904 WeakPolarHBondContact OG-CD1 3.43Å; E868-L904 HydrophobicContact CB-CD2 4.01Å; E868-L904 HydrophobicContact CG-CD2 3.96Å; I871-L904 HydrophobicContact CB-CD2 4.01Å; I871-L904 HydrophobicContact CB-CG 4.37Å; I871-L904 HydrophobicContact CG2-CB 4.26Å; I871-L904 HydrophobicContact CG2-CD2 3.88Å; I871-L904 HydrophobicContact CG2-CG 3.7Å; I872-L904 HydrophobicContact CD1-CD1 4.21Å; I872-L904 HydrophobicContact CG1-CD1 4.26Å; N900-L904 WeakPolarHBondContact O-CB 3.41Å; N900-L904 PolarHBondContact O-N 2.98Å; Y901-L904 HydrophobicContact CD1-CD2 4.39Å; R902-L904 PolarHBondContact O-N 3.26Å |
| 905 | L | 87.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -75.5 | -42.4 | 179.3 | -171.6 | 49.9 | 0 | 0 | 0 | 112 | I871 L874 I878 L896 Y901 R902 N903 R908 I909 T941 M945 | I871-L905 HydrophobicContact CG2-CB 3.74Å; I871-L905 HydrophobicContact CG2-CD1 4.21Å; I871-L905 HydrophobicContact CG2-CG 4.4Å; L874-L905 HydrophobicContact CD2-CD1 4.36Å; L874-L905 HydrophobicContact CD2-CD2 3.6Å; L874-L905 HydrophobicContact CG-CD1 4.21Å; L874-L905 HydrophobicContact CG-CD2 4.23Å; I878-L905 HydrophobicContact CD1-CD1 4.01Å; L896-L905 HydrophobicContact CD1-CD2 4.31Å; L896-L905 HydrophobicContact CD2-CD2 3.88Å; Y901-L905 WeakPolarHBondContact O-CB 3.22Å; Y901-L905 PolarHBondContact O-N 2.92Å; R902-L905 PolarHBondContact O-N 3.14Å; R902-L905 VanDerWaalsContact O-N 3.09Å; N903-L905 VanDerWaalsContact C-N 3.27Å; N903-L905 PolarHBondContact O-N 3.26Å; L905-R908 PolarHBondContact O-N 2.87Å; L905-I909 HydrophobicContact CD1-CG2 4.29Å; L905-I909 WeakPolarHBondContact O-CG1 3.31Å; L905-I909 PolarHBondContact O-N 3.34Å; L905-T941 HydrophobicContact CD2-CG2 3.67Å; L905-T941 HydrophobicContact CG-CG2 4.19Å; L905-M945 HydrophobicContact CB-CE 3.65Å; L905-M945 HydrophobicContact CD2-CE 3.66Å; L905-M945 HydrophobicContact CG-CE 3.55Å |
| 906 | I | 86.4 | Confident | 80.1 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.7 | -45.2 | 178.1 | -60.8 | 165.6 | 0 | 0 | 0 | 110.6 | R902 N903 R908 I909 N910 M945 M1005 L1006 V1009 | R902-I906 WeakPolarHBondContact O-CG1 3.46Å; R902-I906 PolarHBondContact O-N 3.06Å; N903-I906 PolarHBondContact O-N 2.87Å; I906-R908 PolarHBondContact O-N 3.41Å; I906-R908 VanDerWaalsContact O-N 3.1Å; I906-I909 PolarHBondContact O-N 3.43Å; I906-I909 VanDerWaalsContact O-N 3.09Å; I906-N910 HydrophobicContact CG2-CB 4.2Å; I906-N910 WeakPolarHBondContact O-CB 3.22Å; I906-N910 PolarHBondContact O-N 2.63Å; I906-M945 HydrophobicContact CD1-CE 4.36Å; I906-M945 HydrophobicContact CD1-SD 4.02Å; I906-M945 HydrophobicContact CG1-CE 3.5Å; I906-M945 HydrophobicContact CG1-SD 3.67Å; I906-M1005 HydrophobicContact CD1-CB 4.07Å; I906-M1005 HydrophobicContact CG2-CB 3.84Å; I906-L1006 HydrophobicContact CD1-CB 4.25Å; I906-V1009 HydrophobicContact CG2-CG2 4.17Å |
| 907 | A | 79.2 | Confident | 78.9 | Confident | 24 Ų | 24 | 35 Ų | 35 | 20% | 0.198 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.8 | -30.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N903 L913 | N903-A907 VanDerWaalsContact O-CB 3.29Å; N903-A907 WeakPolarHBondContact O-CB 3.49Å; N903-A907 PolarHBondContact O-N 3.09Å; A907-L913 HydrophobicContact CB-CD1 4.47Å |
| 908 | R | 82.4 | Confident | 78 | Confident | 63 Ų | 63 | 39.3 Ų | 39.3 | 24% | 0.238 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -92.4 | -19.2 | 179 | -67.3 | -169.8 | 173.5 | -127.6 | -3.2 | 115.1 | T830 S875 K879 L905 I906 | T830-R908 HydrophobicContact CG2-CG 3.85Å; T830-R908 PolarHBondContact O-NH2 3.41Å; S875-R908 WeakPolarHBondContact OG-CD 3.42Å; K879-R908 WeakPolarHBondContact CE-O 3.48Å; K879-R908 PolarHBondContact NZ-O 3.44Å; L905-R908 PolarHBondContact O-N 2.87Å; I906-R908 PolarHBondContact O-N 3.41Å; I906-R908 VanDerWaalsContact O-N 3.1Å |
| 909 | I | 87.1 | Confident | 77 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -100.6 | -21.8 | 178.8 | 69.5 | -178 | 0 | 0 | 0 | 113.7 | I878 L905 I906 D911 T941 M945 | I878-I909 HydrophobicContact CG2-CG2 4.17Å; L905-I909 HydrophobicContact CD1-CG2 4.29Å; L905-I909 WeakPolarHBondContact O-CG1 3.31Å; L905-I909 PolarHBondContact O-N 3.34Å; I906-I909 PolarHBondContact O-N 3.43Å; I906-I909 VanDerWaalsContact O-N 3.09Å; I909-D911 PolarHBondContact O-N 3.1Å; I909-T941 HydrophobicContact CD1-CG2 4.19Å; I909-M945 HydrophobicContact CD1-CE 4.33Å |
| 910 | N | 86.7 | Confident | 76.3 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | trans | -85.1 | 100.4 | 178.2 | -177.3 | 1.4 | 0 | 0 | 0 | 111 | I906 N912 L913 E1008 V1009 H1013 | I906-N910 HydrophobicContact CG2-CB 4.2Å; I906-N910 WeakPolarHBondContact O-CB 3.22Å; I906-N910 PolarHBondContact O-N 2.63Å; N910-N912 PolarHBondContact O-N 2.7Å; N910-N912 WeakPolarHBondContact OD1-CB 3.34Å; N910-N912 PolarHBondContact OD1-N 3.01Å; N910-L913 HydrophobicContact CB-CD1 4.12Å; N910-L913 PolarHBondContact O-N 3.34Å; N910-L913 VanDerWaalsContact O-N 3.12Å; N910-E1008 PolarHBondContact ND2-OE1 3.18Å; N910-V1009 HydrophobicContact CB-CG2 3.6Å; N910-H1013 PolarHBondContact OD1-CE1 3.43Å | ||
| 911 | D | 79.1 | Confident | 76.1 | Confident | 55 Ų | 55 | 47.2 Ų | 47.2 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 8.4 | -180 | -66.8 | -35 | 0 | 0 | 0 | 113.8 | K879 I909 K915 V927 | K879-D911 WeakPolarHBondContact CE-OD1 3.42Å; K879-D911 IonicContact NZ-OD1 3.56Å; K879-D911 PolarHBondContact NZ-OD1 3.48Å; I909-D911 PolarHBondContact O-N 3.1Å; D911-K915 WeakPolarHBondContact O-CD 3.45Å; D911-K915 WeakPolarHBondContact O-CE 3.26Å; D911-K915 PolarHBondContact O-NZ 3.15Å; D911-V927 HydrophobicContact CB-CG1 4.25Å |
| 912 | N | 79.3 | Confident | 75.7 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 6% | 0.059 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -6.3 | 167.1 | -72.3 | -27.6 | 0 | 0 | 0 | 114.1 | N910 K915 I924 N925 V927 R1678 | N910-N912 PolarHBondContact O-N 2.7Å; N910-N912 WeakPolarHBondContact OD1-CB 3.34Å; N910-N912 PolarHBondContact OD1-N 3.01Å; N912-K915 PolarHBondContact OD1-NZ 3.34Å; N912-I924 HydrophobicContact CB-CG2 4.11Å; N912-I924 VanDerWaalsContact ND2-CG2 3.32Å; N912-I924 WeakPolarHBondContact ND2-CG2 3.47Å; N912-N925 PolarHBondContact ND2-O 2.97Å; N912-N925 PolarHBondContact OD1-O 2.64Å; N912-V927 VanDerWaalsContact CG-CG2 3.48Å; N912-V927 WeakPolarHBondContact ND2-CG2 3.37Å; N912-V927 WeakPolarHBondContact OD1-CG2 3.48Å; N912-R1678 PolarHBondContact O-NH1 3.15Å |
| 913 | L | 70.4 | Confident | 75.7 | Confident | 35 Ų | 35 | 53.8 Ų | 53.8 | 18% | 0.183 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -32.8 | 170.8 | -75.5 | 166.3 | 0 | 0 | 0 | 111.8 | A907 N910 K915 R1678 | A907-L913 HydrophobicContact CB-CD1 4.47Å; N910-L913 HydrophobicContact CB-CD1 4.12Å; N910-L913 PolarHBondContact O-N 3.34Å; N910-L913 VanDerWaalsContact O-N 3.12Å; L913-K915 VanDerWaalsContact C-N 3.3Å; L913-K915 PolarHBondContact O-N 2.72Å; L913-R1678 VanDerWaalsContact CD2-CZ 3.42Å |
| 914 | S | 61.1 | Low | 75.9 | Confident | 56 Ų | 56 | 53.1 Ų | 53.1 | 39% | 0.392 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -84.6 | 13.3 | -176.2 | 54.9 | 0 | 0 | 0 | 0 | 115.7 | ||
| 915 | K | 64.9 | Low | 76 | Confident | 108 Ų | 108 | 57 Ų | 57 | 47% | 0.47 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -120 | 133 | -177 | -66.2 | 176.3 | -174.1 | 127.3 | 0 | 110.9 | D911 N912 L913 I917 | D911-K915 WeakPolarHBondContact O-CD 3.45Å; D911-K915 WeakPolarHBondContact O-CE 3.26Å; D911-K915 PolarHBondContact O-NZ 3.15Å; N912-K915 PolarHBondContact OD1-NZ 3.34Å; L913-K915 VanDerWaalsContact C-N 3.3Å; L913-K915 PolarHBondContact O-N 2.72Å; K915-I917 PolarHBondContact O-N 3.05Å |
| 916 | D | 61.1 | Low | 76 | Confident | 148 Ų | 148 | 60.2 Ų | 60.2 | 79% | 0.791 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 124.9 | 172.8 | -65.5 | -59.4 | 0 | 0 | 0 | 111.2 | ||
| 917 | I | 64.9 | Low | 76.1 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 11% | 0.108 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -86 | 129.5 | 178.2 | -55.3 | -170.4 | 0 | 0 | 0 | 109.2 | K915 Q921 V1674 R1678 F1679 Q1682 | K915-I917 PolarHBondContact O-N 3.05Å; I917-Q921 HydrophobicContact CG2-CB 4.05Å; I917-Q921 HydrophobicContact CG2-CG 4.48Å; I917-V1674 HydrophobicContact CD1-CG1 3.65Å; I917-R1678 HydrophobicContact CD1-CB 3.66Å; I917-R1678 HydrophobicContact CD1-CG 4.29Å; I917-F1679 HydrophobicContact CG2-CE1 3.8Å; I917-F1679 HydrophobicContact CG2-CZ 4.22Å; I917-Q1682 PolarHBondContact O-NE2 3.45Å; I917-Q1682 VanDerWaalsContact O-NE2 3.16Å |
| 918 | L | 67.1 | Low | 76.6 | Confident | 123 Ų | 123 | 63.4 Ų | 63.4 | 64% | 0.644 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 139.2 | 174.9 | -69.3 | 166.1 | 0 | 0 | 0 | 109.9 | N920 Q921 | L918-N920 PolarHBondContact O-N 3.39Å; L918-Q921 HydrophobicContact CB-CB 4.32Å; L918-Q921 WeakPolarHBondContact O-CB 3.46Å; L918-Q921 PolarHBondContact O-N 3.22Å |
| 919 | P | 59.3 | Low | 76.9 | Confident | 104 Ų | 104 | 61.1 Ų | 61.1 | 68% | 0.675 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -23.7 | -176.2 | -29.5 | 35.8 | 0 | 0 | 0 | 115.8 | ||
| 920 | N | 67 | Low | 76.8 | Confident | 135 Ų | 135 | 69.1 Ų | 69.1 | 72% | 0.722 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 3.9 | -178.7 | -60.9 | -3.2 | 0 | 0 | 0 | 113.3 | L918 L922 | L918-N920 PolarHBondContact O-N 3.39Å; N920-L922 PolarHBondContact O-N 3.47Å |
| 921 | Q | 75.9 | Confident | 76.9 | Confident | 38 Ų | 38 | 73.9 Ų | 73.9 | 18% | 0.178 | 39% | 0.391 | C | S | . | . | trans | -83.5 | 100.6 | -176.9 | -177.8 | 177.1 | -17.9 | 0 | 0 | 111.2 | I917 L918 H923 N925 | I917-Q921 HydrophobicContact CG2-CB 4.05Å; I917-Q921 HydrophobicContact CG2-CG 4.48Å; L918-Q921 HydrophobicContact CB-CB 4.32Å; L918-Q921 WeakPolarHBondContact O-CB 3.46Å; L918-Q921 PolarHBondContact O-N 3.22Å; Q921-H923 VanDerWaalsContact CG-O 3.26Å; Q921-H923 WeakPolarHBondContact CG-O 3.28Å; Q921-H923 PolarHBondContact NE2-O 3.24Å; Q921-N925 PolarHBondContact NE2-ND2 3.12Å; Q921-N925 VanDerWaalsContact NE2-ND2 3.15Å | ||
| 922 | L | 78.2 | Confident | 77.3 | Confident | 87 Ų | 87 | 76 Ų | 76 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | trans | -71.5 | -34.7 | 175.7 | -69.1 | -175.2 | 0 | 0 | 0 | 114 | N920 M1518 N1673 V1674 | N920-L922 PolarHBondContact O-N 3.47Å; L922-M1518 HydrophobicContact CD1-CE 3.98Å; L922-M1518 HydrophobicContact CD1-CG 3.93Å; L922-M1518 HydrophobicContact CD1-SD 3.51Å; L922-M1518 VanDerWaalsContact CD1-SD 3.51Å; L922-M1518 HydrophobicContact CD2-CE 3.96Å; L922-M1518 HydrophobicContact CG-CE 3.7Å; L922-M1518 HydrophobicContact CG-SD 3.85Å; L922-N1673 WeakPolarHBondContact O-CA 3.32Å; L922-V1674 PolarHBondContact O-N 2.66Å | ||
| 923 | H | 87.5 | Confident | 77.8 | Confident | 76 Ų | 76 | 79.4 Ų | 79.4 | 35% | 0.352 | 41% | 0.413 | S | S | . | . | B | Isolated β-bridge | trans | -118 | 150.9 | -166.6 | -50.4 | 131.9 | 0 | 0 | 0 | 113.5 | Q921 D1671 L1672 N1673 | Q921-H923 VanDerWaalsContact CG-O 3.26Å; Q921-H923 WeakPolarHBondContact CG-O 3.28Å; Q921-H923 PolarHBondContact NE2-O 3.24Å; H923-D1671 HydrophobicContact CB-CB 4.16Å; H923-L1672 CarbonylContact C-O 3.29Å; H923-L1672 WeakPolarHBondContact CA-O 3.41Å; H923-N1673 PolarHBondContact CD2-OD1 2.89Å |
| 924 | I | 86.5 | Confident | 78.7 | Confident | 14 Ų | 14 | 79.6 Ų | 79.6 | 7% | 0.072 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 128.4 | 179 | -55.1 | 177.8 | 0 | 0 | 0 | 109.8 | N912 E1008 T1012 L1672 V1674 | N912-I924 HydrophobicContact CB-CG2 4.11Å; N912-I924 VanDerWaalsContact ND2-CG2 3.32Å; N912-I924 WeakPolarHBondContact ND2-CG2 3.47Å; I924-E1008 HydrophobicContact CD1-CG 4.01Å; I924-E1008 HydrophobicContact CG2-CG 4.46Å; I924-T1012 HydrophobicContact CG2-CG2 4Å; I924-L1672 HydrophobicContact CB-CB 4.29Å; I924-L1672 HydrophobicContact CD1-CB 4.08Å; I924-L1672 HydrophobicContact CG1-CB 4.29Å; I924-L1672 PolarHBondContact N-O 2.82Å; I924-V1674 HydrophobicContact CG1-CG2 3.99Å |
| 925 | N | 85.2 | Confident | 80.2 | Confident | 94 Ų | 94 | 77 Ų | 77 | 50% | 0.503 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 146.5 | -177.3 | -68.2 | -38.3 | 0 | 0 | 0 | 112.8 | N912 Q921 | N912-N925 PolarHBondContact ND2-O 2.97Å; N912-N925 PolarHBondContact OD1-O 2.64Å; Q921-N925 PolarHBondContact NE2-ND2 3.12Å; Q921-N925 VanDerWaalsContact NE2-ND2 3.15Å |
| 926 | N | 87.7 | Confident | 81.4 | Confident | 68 Ų | 68 | 75.3 Ų | 75.3 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 144.5 | 171.4 | -71.4 | -48.5 | 0 | 0 | 0 | 111.9 | T1012 F1014 | N926-T1012 CarbonylContact C-O 3.52Å; N926-T1012 VanDerWaalsContact CA-O 3.3Å; N926-T1012 WeakPolarHBondContact CA-O 3.49Å; N926-T1012 WeakPolarHBondContact OD1-CA 3.37Å; N926-T1012 PolarHBondContact OD1-O 3.29Å; N926-F1014 HydrophobicContact CB-CD1 4.2Å; N926-F1014 HydrophobicContact CB-CE1 3.94Å |
| 927 | V | 88 | Confident | 82.8 | Confident | 7 Ų | 7 | 68.3 Ų | 68.3 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 114.7 | -173.2 | -178 | 0 | 0 | 0 | 0 | 111.1 | D911 N912 I929 T1012 H1013 F1014 | D911-V927 HydrophobicContact CB-CG1 4.25Å; N912-V927 VanDerWaalsContact CG-CG2 3.48Å; N912-V927 WeakPolarHBondContact ND2-CG2 3.37Å; N912-V927 WeakPolarHBondContact OD1-CG2 3.48Å; V927-I929 PolarHBondContact O-N 2.78Å; V927-T1012 PolarHBondContact N-O 2.89Å; V927-H1013 HydrophobicContact CB-CB 4.47Å; V927-H1013 WeakPolarHBondContact O-CA 3.43Å; V927-F1014 WeakPolarHBondContact O-CD1 3.47Å; V927-F1014 PolarHBondContact O-N 3.04Å |
| 928 | P | 89.1 | Confident | 84.1 | Confident | 85 Ų | 85 | 67.9 Ų | 67.9 | 55% | 0.552 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 114.9 | 175.2 | 29.8 | -32.2 | 0 | 0 | 0 | 111.3 | F1014 | P928-F1014 HydrophobicContact CB-CE1 4.07Å; P928-F1014 HydrophobicContact CB-CE2 4.22Å; P928-F1014 HydrophobicContact CB-CZ 3.74Å |
| 929 | I | 89.1 | Confident | 85.1 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 8% | 0.077 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 128.2 | 168.3 | -62.7 | 163.8 | 0 | 0 | 0 | 108.3 | V927 Q931 Q934 Y935 I938 H1013 F1014 Y1015 L1545 | V927-I929 PolarHBondContact O-N 2.78Å; I929-Q931 WeakPolarHBondContact CG2-O 3.32Å; I929-Q934 HydrophobicContact CG2-CB 3.78Å; I929-Y935 HydrophobicContact CD1-CD2 3.93Å; I929-I938 HydrophobicContact CD1-CD1 3.84Å; I929-I938 HydrophobicContact CG1-CD1 4.22Å; I929-H1013 HydrophobicContact CD1-CB 3.9Å; I929-H1013 HydrophobicContact CG1-CB 4.34Å; I929-F1014 PolarHBondContact N-O 2.82Å; I929-Y1015 WeakPolarHBondContact O-CD2 3.49Å; I929-L1545 HydrophobicContact CD1-CD1 4.17Å; I929-L1545 HydrophobicContact CD1-CG 4.31Å |
| 930 | Q | 85.5 | Confident | 86.6 | Confident | 171 Ų | 171 | 59.8 Ų | 59.8 | 80% | 0.799 | 30% | 0.296 | S | S | * | . | trans | -83.3 | -34.7 | -173.1 | -63.4 | -174.3 | 5.7 | 0 | 0 | 113.6 | ||||
| 931 | Q | 88.4 | Confident | 87.7 | Confident | 101 Ų | 101 | 53.4 Ų | 53.4 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | trans | -114.6 | 140.6 | -174.7 | -55.1 | 178.3 | -7.3 | 0 | 0 | 112.5 | I929 D933 Q934 Y935 | I929-Q931 WeakPolarHBondContact CG2-O 3.32Å; Q931-D933 VanDerWaalsContact C-N 3.27Å; Q931-D933 PolarHBondContact O-N 2.97Å; Q931-Q934 HydrophobicContact CB-CB 4.19Å; Q931-Q934 HydrophobicContact CB-CG 3.9Å; Q931-Q934 HydrophobicContact CG-CG 4.46Å; Q931-Q934 VanDerWaalsContact N-OE1 3.08Å; Q931-Q934 WeakPolarHBondContact O-CB 3.13Å; Q931-Q934 PolarHBondContact O-N 2.88Å; Q931-Y935 PolarHBondContact O-N 2.88Å; Q931-Y935 VanDerWaalsContact O-N 3.08Å | ||
| 932 | W | 87.8 | Confident | 88.4 | Confident | 99 Ų | 99 | 51.6 Ų | 51.6 | 38% | 0.375 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.6 | -32.4 | 179.7 | -175.3 | -137.9 | 0 | 0 | 0 | 112.8 | Y935 K936 Y1015 L1017 T1543 | W932-Y935 AromaticContact CE3-CD1 3.63Å; W932-Y935 HydrophobicContact CE3-CD1 3.63Å; W932-Y935 HydrophobicContact CE3-CE1 4.28Å; W932-Y935 HydrophobicContact CE3-CG 4.1Å; W932-Y935 AromaticContact CH2-CD1 4Å; W932-Y935 HydrophobicContact CH2-CD1 4Å; W932-Y935 AromaticContact CH2-CE1 3.89Å; W932-Y935 HydrophobicContact CH2-CE1 3.89Å; W932-Y935 AromaticContact CZ3-CD1 3.24Å; W932-Y935 HydrophobicContact CZ3-CD1 3.24Å; W932-Y935 AromaticContact CZ3-CE1 3.43Å; W932-Y935 HydrophobicContact CZ3-CE1 3.43Å; W932-Y935 VanDerWaalsContact CZ3-CE1 3.43Å; W932-Y935 HydrophobicContact CZ3-CG 4.01Å; W932-Y935 WeakPolarHBondContact O-CB 3.25Å; W932-Y935 PolarHBondContact O-N 2.8Å; W932-K936 WeakPolarHBondContact O-CG 3.42Å; W932-K936 PolarHBondContact O-N 3.34Å; W932-K936 VanDerWaalsContact O-N 3.07Å; W932-Y1015 HydrophobicContact CB-CE1 4.17Å; W932-Y1015 HydrophobicContact CB-CE2 4.27Å; W932-Y1015 HydrophobicContact CD2-CD1 4.32Å; W932-Y1015 HydrophobicContact CD2-CE1 4.13Å; W932-Y1015 AromaticContact CE3-CD1 3.34Å; W932-Y1015 HydrophobicContact CE3-CD1 3.34Å; W932-Y1015 AromaticContact CE3-CE1 3.58Å; W932-Y1015 HydrophobicContact CE3-CE1 3.58Å; W932-Y1015 AromaticContact CE3-CG 3.89Å; W932-Y1015 HydrophobicContact CE3-CG 3.89Å; W932-Y1015 HydrophobicContact CG-CE1 4.4Å; W932-Y1015 AromaticContact CZ3-CD1 3.73Å; W932-Y1015 HydrophobicContact CZ3-CD1 3.73Å; W932-Y1015 HydrophobicContact CZ3-CE1 4.29Å; W932-Y1015 HydrophobicContact CZ3-CG 4.34Å; W932-L1017 HydrophobicContact CH2-CD2 4.33Å; W932-L1017 HydrophobicContact CZ3-CD2 4.2Å; W932-T1543 HydrophobicContact CZ3-CG2 4.46Å |
| 933 | D | 89.2 | Confident | 88.8 | Confident | 82 Ų | 82 | 49.1 Ų | 49.1 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -79.3 | -29 | 178.1 | -62.1 | -52.6 | 0 | 0 | 0 | 112.9 | G881 Q931 K936 A937 | G881-D933 VanDerWaalsContact CA-C 3.5Å; G881-D933 WeakPolarHBondContact CA-O 3.14Å; Q931-D933 VanDerWaalsContact C-N 3.27Å; Q931-D933 PolarHBondContact O-N 2.97Å; D933-K936 PolarHBondContact O-N 2.87Å; D933-K936 WeakPolarHBondContact OD1-CE 3.35Å; D933-K936 IonicContact OD1-NZ 2.74Å; D933-K936 PolarHBondContact OD1-NZ 2.82Å; D933-A937 WeakPolarHBondContact O-CB 3.22Å; D933-A937 PolarHBondContact O-N 3.5Å |
| 934 | Q | 89.6 | Confident | 88.9 | Confident | 40 Ų | 40 | 45.7 Ų | 45.7 | 19% | 0.187 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.3 | -47.4 | 165.1 | -71.4 | 170 | -29.2 | 0 | 0 | 110.6 | K879 I929 Q931 K936 A937 I938 | K879-Q934 PolarHBondContact O-NE2 3.02Å; I929-Q934 HydrophobicContact CG2-CB 3.78Å; Q931-Q934 HydrophobicContact CB-CB 4.19Å; Q931-Q934 HydrophobicContact CB-CG 3.9Å; Q931-Q934 HydrophobicContact CG-CG 4.46Å; Q931-Q934 VanDerWaalsContact N-OE1 3.08Å; Q931-Q934 WeakPolarHBondContact O-CB 3.13Å; Q931-Q934 PolarHBondContact O-N 2.88Å; Q934-K936 PolarHBondContact O-N 3.4Å; Q934-A937 PolarHBondContact O-N 3.29Å; Q934-A937 VanDerWaalsContact O-N 3.12Å; Q934-I938 WeakPolarHBondContact O-CG1 3.26Å; Q934-I938 PolarHBondContact O-N 3.28Å |
| 935 | Y | 91.8 | Very high | 89 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.8 | -48.5 | 177 | 175.7 | -90.1 | 0 | 0 | 0 | 111.6 | I929 Q931 W932 A937 I938 L939 Y1015 T1543 Y1544 L1545 D1548 | I929-Y935 HydrophobicContact CD1-CD2 3.93Å; Q931-Y935 PolarHBondContact O-N 2.88Å; Q931-Y935 VanDerWaalsContact O-N 3.08Å; W932-Y935 AromaticContact CE3-CD1 3.63Å; W932-Y935 HydrophobicContact CE3-CD1 3.63Å; W932-Y935 HydrophobicContact CE3-CE1 4.28Å; W932-Y935 HydrophobicContact CE3-CG 4.1Å; W932-Y935 AromaticContact CH2-CD1 4Å; W932-Y935 HydrophobicContact CH2-CD1 4Å; W932-Y935 AromaticContact CH2-CE1 3.89Å; W932-Y935 HydrophobicContact CH2-CE1 3.89Å; W932-Y935 AromaticContact CZ3-CD1 3.24Å; W932-Y935 HydrophobicContact CZ3-CD1 3.24Å; W932-Y935 AromaticContact CZ3-CE1 3.43Å; W932-Y935 HydrophobicContact CZ3-CE1 3.43Å; W932-Y935 VanDerWaalsContact CZ3-CE1 3.43Å; W932-Y935 HydrophobicContact CZ3-CG 4.01Å; W932-Y935 WeakPolarHBondContact O-CB 3.25Å; W932-Y935 PolarHBondContact O-N 2.8Å; Y935-A937 VanDerWaalsContact C-N 3.35Å; Y935-A937 PolarHBondContact O-N 3.01Å; Y935-I938 PolarHBondContact O-N 3.09Å; Y935-L939 HydrophobicContact CE1-CD2 4.25Å; Y935-L939 WeakPolarHBondContact O-CB 3.35Å; Y935-L939 PolarHBondContact O-N 3.44Å; Y935-Y1015 HydrophobicContact CG-CG 4.49Å; Y935-T1543 HydrophobicContact CE2-CG2 4.27Å; Y935-Y1544 PolarHBondContact OH-O 2.73Å; Y935-L1545 HydrophobicContact CD2-CD2 3.6Å; Y935-L1545 HydrophobicContact CD2-CG 4.19Å; Y935-L1545 HydrophobicContact CE2-CD2 3.47Å; Y935-L1545 VanDerWaalsContact CE2-CD2 3.47Å; Y935-L1545 HydrophobicContact CE2-CG 3.91Å; Y935-L1545 HydrophobicContact CG-CD2 4.23Å; Y935-D1548 WeakPolarHBondContact CE1-OD2 3.33Å; Y935-D1548 PolarHBondContact OH-OD2 3.16Å |
| 936 | K | 90.1 | Very high | 89.2 | Confident | 73 Ų | 73 | 40.8 Ų | 40.8 | 32% | 0.317 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60 | -39.7 | 174.1 | -66.2 | 169.7 | -160.4 | 161.5 | 0 | 113.2 | I883 W932 D933 Q934 W940 | I883-K936 HydrophobicContact CD1-CB 4.2Å; W932-K936 WeakPolarHBondContact O-CG 3.42Å; W932-K936 PolarHBondContact O-N 3.34Å; W932-K936 VanDerWaalsContact O-N 3.07Å; D933-K936 PolarHBondContact O-N 2.87Å; D933-K936 WeakPolarHBondContact OD1-CE 3.35Å; D933-K936 IonicContact OD1-NZ 2.74Å; D933-K936 PolarHBondContact OD1-NZ 2.82Å; Q934-K936 PolarHBondContact O-N 3.4Å; K936-W940 VanDerWaalsContact O-CB 3.3Å; K936-W940 WeakPolarHBondContact O-CB 3.43Å; K936-W940 PolarHBondContact O-N 3.24Å |
| 937 | A | 91.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.9 | -39.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I878 I883 D933 Q934 Y935 T941 | I878-A937 HydrophobicContact CB-CB 4.43Å; I878-A937 HydrophobicContact CG2-CB 4.06Å; I883-A937 HydrophobicContact CG1-CB 4.15Å; D933-A937 WeakPolarHBondContact O-CB 3.22Å; D933-A937 PolarHBondContact O-N 3.5Å; Q934-A937 PolarHBondContact O-N 3.29Å; Q934-A937 VanDerWaalsContact O-N 3.12Å; Y935-A937 VanDerWaalsContact C-N 3.35Å; Y935-A937 PolarHBondContact O-N 3.01Å; A937-T941 WeakPolarHBondContact O-CB 3.44Å; A937-T941 PolarHBondContact O-N 3.45Å; A937-T941 VanDerWaalsContact O-N 3.09Å; A937-T941 PolarHBondContact O-OG1 3.01Å |
| 938 | I | 91.1 | Very high | 89 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 7% | 0.067 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67 | -47.9 | 173.1 | -60.7 | 164.4 | 0 | 0 | 0 | 109.6 | I878 I929 Q934 Y935 W940 T941 L942 V1009 L1545 | I878-I938 HydrophobicContact CG2-CG1 3.66Å; I929-I938 HydrophobicContact CD1-CD1 3.84Å; I929-I938 HydrophobicContact CG1-CD1 4.22Å; Q934-I938 WeakPolarHBondContact O-CG1 3.26Å; Q934-I938 PolarHBondContact O-N 3.28Å; Y935-I938 PolarHBondContact O-N 3.09Å; I938-W940 VanDerWaalsContact C-N 3.34Å; I938-W940 PolarHBondContact O-N 3.14Å; I938-T941 WeakPolarHBondContact O-CA 3.39Å; I938-T941 WeakPolarHBondContact O-CB 3.42Å; I938-T941 PolarHBondContact O-N 3.23Å; I938-L942 HydrophobicContact CG2-CD1 3.97Å; I938-L942 HydrophobicContact CG2-CG 4.26Å; I938-L942 WeakPolarHBondContact O-CG 3.46Å; I938-L942 PolarHBondContact O-N 2.8Å; I938-V1009 HydrophobicContact CG2-CG1 4.16Å; I938-L1545 HydrophobicContact CB-CD1 4.36Å; I938-L1545 HydrophobicContact CG2-CD1 3.54Å; I938-L1545 HydrophobicContact CG2-CD2 4.44Å |
| 939 | L | 89.7 | Confident | 89 | Confident | 23 Ų | 23 | 36.6 Ų | 36.6 | 12% | 0.12 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.8 | -46 | 175.2 | 176 | 63.1 | 0 | 0 | 0 | 112.8 | Y935 T941 K943 L1545 D1548 I1549 | Y935-L939 HydrophobicContact CE1-CD2 4.25Å; Y935-L939 WeakPolarHBondContact O-CB 3.35Å; Y935-L939 PolarHBondContact O-N 3.44Å; L939-T941 VanDerWaalsContact C-N 3.31Å; L939-T941 PolarHBondContact O-N 3.23Å; L939-K943 HydrophobicContact CD1-CD 4.43Å; L939-K943 WeakPolarHBondContact O-CG 3.39Å; L939-K943 PolarHBondContact O-N 2.94Å; L939-K943 VanDerWaalsContact O-N 3.17Å; L939-L1545 HydrophobicContact CB-CD2 3.94Å; L939-D1548 HydrophobicContact CD1-CB 3.79Å; L939-D1548 HydrophobicContact CD2-CB 3.69Å; L939-D1548 HydrophobicContact CG-CB 4.4Å; L939-I1549 HydrophobicContact CD1-CB 4.5Å; L939-I1549 HydrophobicContact CD1-CD1 4.5Å; L939-I1549 HydrophobicContact CD1-CG1 3.51Å |
| 940 | W | 90 | Very high | 88.8 | Confident | 34 Ų | 34 | 39.1 Ų | 39.1 | 13% | 0.129 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.8 | -40.5 | 174.6 | 176.6 | 97.2 | 0 | 0 | 0 | 112.1 | L874 I883 P884 R889 I892 K936 I938 K943 Q944 | L874-W940 HydrophobicContact CD1-CZ3 4.43Å; I883-W940 HydrophobicContact CG2-CD2 3.94Å; I883-W940 HydrophobicContact CG2-CG 3.87Å; P884-W940 HydrophobicContact CB-CH2 4.01Å; P884-W940 HydrophobicContact CB-CZ2 4.43Å; P884-W940 HydrophobicContact CG-CE3 4.5Å; P884-W940 HydrophobicContact CG-CH2 3.6Å; P884-W940 HydrophobicContact CG-CZ2 4.31Å; P884-W940 HydrophobicContact CG-CZ3 3.71Å; R889-W940 HydrophobicContact CB-CZ2 4.1Å; R889-W940 HydrophobicContact CG-CH2 4.41Å; R889-W940 HydrophobicContact CG-CZ2 3.7Å; I892-W940 HydrophobicContact CD1-CH2 4.24Å; I892-W940 HydrophobicContact CG2-CH2 4.32Å; K936-W940 VanDerWaalsContact O-CB 3.3Å; K936-W940 WeakPolarHBondContact O-CB 3.43Å; K936-W940 PolarHBondContact O-N 3.24Å; I938-W940 VanDerWaalsContact C-N 3.34Å; I938-W940 PolarHBondContact O-N 3.14Å; W940-K943 PolarHBondContact O-N 2.76Å; W940-Q944 HydrophobicContact CD2-CG 4.03Å; W940-Q944 HydrophobicContact CE3-CG 4.01Å; W940-Q944 HydrophobicContact CH2-CG 3.8Å; W940-Q944 HydrophobicContact CZ2-CG 3.86Å; W940-Q944 HydrophobicContact CZ3-CG 3.87Å; W940-Q944 WeakPolarHBondContact O-CG 3.09Å; W940-Q944 PolarHBondContact O-N 3.36Å; W940-Q944 VanDerWaalsContact O-N 3.07Å; W940-Q944 PolarHBondContact O-NE2 2.78Å |
| 941 | T | 90.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.7 | -47.8 | -178.1 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | I878 L905 I909 A937 I938 L939 K943 Q944 M945 | I878-T941 HydrophobicContact CD1-CG2 3.84Å; I878-T941 WeakPolarHBondContact CD1-OG1 3.3Å; I878-T941 WeakPolarHBondContact CG1-OG1 3.4Å; L905-T941 HydrophobicContact CD2-CG2 3.67Å; L905-T941 HydrophobicContact CG-CG2 4.19Å; I909-T941 HydrophobicContact CD1-CG2 4.19Å; A937-T941 WeakPolarHBondContact O-CB 3.44Å; A937-T941 PolarHBondContact O-N 3.45Å; A937-T941 VanDerWaalsContact O-N 3.09Å; A937-T941 PolarHBondContact O-OG1 3.01Å; I938-T941 WeakPolarHBondContact O-CA 3.39Å; I938-T941 WeakPolarHBondContact O-CB 3.42Å; I938-T941 PolarHBondContact O-N 3.23Å; L939-T941 VanDerWaalsContact C-N 3.31Å; L939-T941 PolarHBondContact O-N 3.23Å; T941-K943 VanDerWaalsContact C-N 3.26Å; T941-K943 PolarHBondContact O-N 2.96Å; T941-Q944 WeakPolarHBondContact O-CA 3.5Å; T941-Q944 PolarHBondContact O-N 2.73Å; T941-M945 HydrophobicContact CG2-CE 3.84Å; T941-M945 HydrophobicContact CG2-SD 4.45Å; T941-M945 PolarHBondContact O-N 3.41Å |
| 942 | L | 89.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.6 | -38.9 | 176.6 | -60.4 | 171.2 | 0 | 0 | 0 | 110.5 | I938 Q944 M945 I946 L1006 V1009 L1545 I1549 | I938-L942 HydrophobicContact CG2-CD1 3.97Å; I938-L942 HydrophobicContact CG2-CG 4.26Å; I938-L942 WeakPolarHBondContact O-CG 3.46Å; I938-L942 PolarHBondContact O-N 2.8Å; L942-Q944 VanDerWaalsContact C-N 3.3Å; L942-Q944 PolarHBondContact O-N 2.66Å; L942-M945 HydrophobicContact CD2-SD 4.2Å; L942-M945 PolarHBondContact O-N 2.77Å; L942-I946 WeakPolarHBondContact O-CG1 3.33Å; L942-I946 PolarHBondContact O-N 3.31Å; L942-L1006 HydrophobicContact CD2-CD1 4.29Å; L942-L1006 HydrophobicContact CD2-CG 3.99Å; L942-V1009 HydrophobicContact CD1-CG1 4.09Å; L942-V1009 HydrophobicContact CD2-CB 4.38Å; L942-V1009 HydrophobicContact CD2-CG1 4.27Å; L942-L1545 HydrophobicContact CD1-CB 4.47Å; L942-L1545 HydrophobicContact CD1-CD1 3.82Å; L942-I1549 HydrophobicContact CB-CD1 4.08Å; L942-I1549 HydrophobicContact CD1-CD1 3.75Å |
| 943 | K | 88.3 | Confident | 88 | Confident | 36 Ų | 36 | 26.8 Ų | 26.8 | 16% | 0.157 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.8 | -27 | 172.2 | -69.9 | -179.4 | -179.1 | 178.5 | 0 | 113.9 | L939 W940 T941 N947 D1548 T1552 L1554 | L939-K943 HydrophobicContact CD1-CD 4.43Å; L939-K943 WeakPolarHBondContact O-CG 3.39Å; L939-K943 PolarHBondContact O-N 2.94Å; L939-K943 VanDerWaalsContact O-N 3.17Å; W940-K943 PolarHBondContact O-N 2.76Å; T941-K943 VanDerWaalsContact C-N 3.26Å; T941-K943 PolarHBondContact O-N 2.96Å; K943-N947 PolarHBondContact O-ND2 2.75Å; K943-D1548 WeakPolarHBondContact CE-O 3.49Å; K943-D1548 PolarHBondContact NZ-O 2.88Å; K943-T1552 PolarHBondContact NZ-OG1 2.78Å; K943-L1554 HydrophobicContact CD-CD1 3.71Å; K943-L1554 HydrophobicContact CG-CD1 3.75Å |
| 944 | Q | 88.5 | Confident | 87.1 | Confident | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.019 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -80.3 | -34.2 | 173.2 | -62.8 | -20.8 | -91.2 | 0 | 0 | 111.6 | R889 N893 L896 W940 T941 L942 N947 G948 | R889-Q944 VanDerWaalsContact CZ-OE1 3.32Å; N893-Q944 PolarHBondContact ND2-OE1 3.49Å; N893-Q944 VanDerWaalsContact ND2-OE1 3.08Å; N893-Q944 WeakPolarHBondContact OD1-CB 3.44Å; N893-Q944 VanDerWaalsContact OD1-CG 3.23Å; N893-Q944 WeakPolarHBondContact OD1-CG 3.34Å; N893-Q944 PolarHBondContact OD1-OE1 3.5Å; L896-Q944 HydrophobicContact CD1-CB 3.93Å; W940-Q944 HydrophobicContact CD2-CG 4.03Å; W940-Q944 HydrophobicContact CE3-CG 4.01Å; W940-Q944 HydrophobicContact CH2-CG 3.8Å; W940-Q944 HydrophobicContact CZ2-CG 3.86Å; W940-Q944 HydrophobicContact CZ3-CG 3.87Å; W940-Q944 WeakPolarHBondContact O-CG 3.09Å; W940-Q944 PolarHBondContact O-N 3.36Å; W940-Q944 VanDerWaalsContact O-N 3.07Å; W940-Q944 PolarHBondContact O-NE2 2.78Å; T941-Q944 WeakPolarHBondContact O-CA 3.5Å; T941-Q944 PolarHBondContact O-N 2.73Å; L942-Q944 VanDerWaalsContact C-N 3.3Å; L942-Q944 PolarHBondContact O-N 2.66Å; Q944-N947 WeakPolarHBondContact O-CB 3.47Å; Q944-N947 PolarHBondContact O-N 2.64Å; Q944-G948 PolarHBondContact O-N 2.92Å; Q944-G948 VanDerWaalsContact O-N 3.16Å |
| 945 | M | 89.1 | Confident | 85.5 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.4 | -37.9 | 173.3 | -69.1 | 173.1 | 174.8 | 0 | 0 | 112.4 | L896 L905 I906 I909 T941 L942 N947 G948 L949 L1006 | L896-M945 HydrophobicContact CD1-CG 4.12Å; L896-M945 HydrophobicContact CD2-CG 4.39Å; L905-M945 HydrophobicContact CB-CE 3.65Å; L905-M945 HydrophobicContact CD2-CE 3.66Å; L905-M945 HydrophobicContact CG-CE 3.55Å; I906-M945 HydrophobicContact CD1-CE 4.36Å; I906-M945 HydrophobicContact CD1-SD 4.02Å; I906-M945 HydrophobicContact CG1-CE 3.5Å; I906-M945 HydrophobicContact CG1-SD 3.67Å; I909-M945 HydrophobicContact CD1-CE 4.33Å; T941-M945 HydrophobicContact CG2-CE 3.84Å; T941-M945 HydrophobicContact CG2-SD 4.45Å; T941-M945 PolarHBondContact O-N 3.41Å; L942-M945 HydrophobicContact CD2-SD 4.2Å; L942-M945 PolarHBondContact O-N 2.77Å; M945-N947 VanDerWaalsContact C-N 3.31Å; M945-N947 PolarHBondContact O-N 3.39Å; M945-G948 CarbonylContact O-C 3.52Å; M945-G948 VanDerWaalsContact O-CA 3.31Å; M945-G948 WeakPolarHBondContact O-CA 3.38Å; M945-G948 PolarHBondContact O-N 3.31Å; M945-L949 PolarHBondContact O-N 3.45Å; M945-L1006 HydrophobicContact CB-CD1 3.35Å; M945-L1006 HydrophobicContact CG-CD1 4.31Å; M945-L1006 HydrophobicContact SD-CD1 4.02Å |
| 946 | I | 88.7 | Confident | 83.7 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | 173.2 | -67.9 | 166.7 | 0 | 0 | 0 | 110.7 | L942 G948 L949 E950 L1006 I1549 L1554 | L942-I946 WeakPolarHBondContact O-CG1 3.33Å; L942-I946 PolarHBondContact O-N 3.31Å; I946-G948 PolarHBondContact O-N 3.44Å; I946-L949 CarbonylContact O-C 3.58Å; I946-L949 PolarHBondContact O-N 2.96Å; I946-L949 VanDerWaalsContact O-N 3.13Å; I946-E950 PolarHBondContact O-N 3.28Å; I946-L1006 HydrophobicContact CG1-CD1 4.13Å; I946-L1006 HydrophobicContact CG1-CD2 4.2Å; I946-I1549 HydrophobicContact CD1-CG2 3.9Å; I946-L1554 HydrophobicContact CB-CD2 4.45Å; I946-L1554 HydrophobicContact CD1-CD2 4.06Å; I946-L1554 HydrophobicContact CG2-CD2 3.8Å |
| 947 | N | 86.4 | Confident | 81.9 | Confident | 69 Ų | 69 | 34.7 Ų | 34.7 | 37% | 0.369 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.9 | -30.5 | 172.5 | -60.8 | -23.6 | 0 | 0 | 0 | 112.5 | K943 Q944 M945 Y951 | K943-N947 PolarHBondContact O-ND2 2.75Å; Q944-N947 WeakPolarHBondContact O-CB 3.47Å; Q944-N947 PolarHBondContact O-N 2.64Å; M945-N947 VanDerWaalsContact C-N 3.31Å; M945-N947 PolarHBondContact O-N 3.39Å; N947-Y951 PolarHBondContact O-N 3.09Å; N947-Y951 VanDerWaalsContact O-N 3.11Å |
| 948 | G | 86.7 | Confident | 79.8 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.4 | -40.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L896 Q944 M945 I946 Y951 S952 | L896-G948 WeakPolarHBondContact O-CA 3.32Å; Q944-G948 PolarHBondContact O-N 2.92Å; Q944-G948 VanDerWaalsContact O-N 3.16Å; M945-G948 CarbonylContact O-C 3.52Å; M945-G948 VanDerWaalsContact O-CA 3.31Å; M945-G948 WeakPolarHBondContact O-CA 3.38Å; M945-G948 PolarHBondContact O-N 3.31Å; I946-G948 PolarHBondContact O-N 3.44Å; G948-Y951 WeakPolarHBondContact O-CB 3.33Å; G948-Y951 PolarHBondContact O-N 3.41Å; G948-S952 PolarHBondContact O-N 2.92Å |
| 949 | L | 87.8 | Confident | 78.2 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.7 | -39.1 | 173.6 | -67.4 | 168.4 | 0 | 0 | 0 | 111.9 | M945 I946 Y951 S952 F953 F1000 A1003 L1006 I1559 | M945-L949 PolarHBondContact O-N 3.45Å; I946-L949 CarbonylContact O-C 3.58Å; I946-L949 PolarHBondContact O-N 2.96Å; I946-L949 VanDerWaalsContact O-N 3.13Å; L949-Y951 PolarHBondContact O-N 3.3Å; L949-S952 WeakPolarHBondContact O-CB 3.31Å; L949-S952 PolarHBondContact O-N 3.37Å; L949-S952 VanDerWaalsContact O-N 3.16Å; L949-F953 WeakPolarHBondContact O-CB 3.41Å; L949-F953 PolarHBondContact O-N 2.93Å; L949-F1000 HydrophobicContact CD2-CD1 4.28Å; L949-A1003 HydrophobicContact CD1-CB 3.88Å; L949-A1003 HydrophobicContact CD2-CB 4.26Å; L949-L1006 HydrophobicContact CD1-CD1 4.33Å; L949-I1559 HydrophobicContact CB-CD1 4.07Å; L949-I1559 WeakPolarHBondContact O-CD1 3.5Å |
| 950 | E | 86.3 | Confident | 75.9 | Confident | 68 Ų | 68 | 38.4 Ų | 38.4 | 32% | 0.318 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.8 | -22.6 | 170.7 | -75.8 | -158.2 | 153.6 | 0 | 0 | 113 | I946 R954 S1557 K1558 I1559 | I946-E950 PolarHBondContact O-N 3.28Å; E950-R954 WeakPolarHBondContact O-CG 3.22Å; E950-S1557 WeakPolarHBondContact OE1-CB 3.25Å; E950-K1558 PolarHBondContact OE1-N 2.74Å; E950-I1559 HydrophobicContact CG-CB 3.98Å; E950-I1559 HydrophobicContact CG-CD1 4.45Å; E950-I1559 HydrophobicContact CG-CG2 3.5Å |
| 951 | Y | 83.4 | Confident | 73.6 | Confident | 53 Ų | 53 | 37.6 Ų | 37.6 | 21% | 0.208 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -78.7 | -44.7 | 168 | -176.2 | -94.3 | 0 | 0 | 0 | 111.5 | Q897 N947 G948 L949 F953 R954 I957 K996 | Q897-Y951 HydrophobicContact CB-CD1 3.58Å; Q897-Y951 HydrophobicContact CB-CE1 4Å; Q897-Y951 HydrophobicContact CB-CG 4.27Å; Q897-Y951 HydrophobicContact CG-CD1 3.48Å; Q897-Y951 VanDerWaalsContact CG-CD1 3.48Å; Q897-Y951 HydrophobicContact CG-CD2 4.36Å; Q897-Y951 HydrophobicContact CG-CE1 4.04Å; Q897-Y951 HydrophobicContact CG-CG 3.65Å; Q897-Y951 VanDerWaalsContact OE1-CE1 3.32Å; N947-Y951 PolarHBondContact O-N 3.09Å; N947-Y951 VanDerWaalsContact O-N 3.11Å; G948-Y951 WeakPolarHBondContact O-CB 3.33Å; G948-Y951 PolarHBondContact O-N 3.41Å; L949-Y951 PolarHBondContact O-N 3.3Å; Y951-F953 VanDerWaalsContact C-N 3.29Å; Y951-F953 PolarHBondContact O-N 3.16Å; Y951-R954 WeakPolarHBondContact O-CB 3.42Å; Y951-R954 VanDerWaalsContact O-CG 3.29Å; Y951-R954 WeakPolarHBondContact O-CG 3.43Å; Y951-R954 PolarHBondContact O-N 3.11Å; Y951-I957 HydrophobicContact CD1-CD1 3.77Å; Y951-I957 HydrophobicContact CD2-CD1 4.48Å; Y951-I957 HydrophobicContact CE1-CD1 3.31Å; Y951-I957 HydrophobicContact CE2-CD1 4.08Å; Y951-I957 HydrophobicContact CG-CD1 4.34Å; Y951-I957 VanDerWaalsContact CZ-CD1 3.47Å; Y951-I957 WeakPolarHBondContact O-CD1 3.4Å; Y951-K996 HydrophobicContact CE1-CD 3.87Å; Y951-K996 PolarHBondContact OH-NZ 3.09Å |
| 952 | S | 81 | Confident | 71.2 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56 | -39.9 | 173.5 | -84.1 | 0 | 0 | 0 | 0 | 113.1 | R902 G948 L949 R954 F959 G998 | R902-S952 PolarHBondContact NH2-OG 3.33Å; G948-S952 PolarHBondContact O-N 2.92Å; L949-S952 WeakPolarHBondContact O-CB 3.31Å; L949-S952 PolarHBondContact O-N 3.37Å; L949-S952 VanDerWaalsContact O-N 3.16Å; S952-R954 PolarHBondContact O-N 2.98Å; S952-R954 VanDerWaalsContact O-N 3.17Å; S952-F959 WeakPolarHBondContact O-CE2 3.4Å; S952-G998 WeakPolarHBondContact CB-O 3.4Å; S952-G998 WeakPolarHBondContact OG-CA 3.46Å; S952-G998 PolarHBondContact OG-O 3.14Å |
| 953 | F | 78.7 | Confident | 68.7 | Low | 55 Ų | 55 | 44.5 Ų | 44.5 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 8.8 | -177.7 | -163.4 | -105.2 | 0 | 0 | 0 | 114.3 | L949 Y951 F1000 I1559 N1562 Q1564 F1565 | L949-F953 WeakPolarHBondContact O-CB 3.41Å; L949-F953 PolarHBondContact O-N 2.93Å; Y951-F953 VanDerWaalsContact C-N 3.29Å; Y951-F953 PolarHBondContact O-N 3.16Å; F953-F1000 HydrophobicContact CB-CE1 3.88Å; F953-F1000 HydrophobicContact CB-CZ 4.14Å; F953-F1000 HydrophobicContact CD2-CE1 4.05Å; F953-F1000 AromaticContact CD2-CZ 3.91Å; F953-F1000 HydrophobicContact CD2-CZ 3.91Å; F953-F1000 HydrophobicContact CG-CE1 4.48Å; F953-I1559 HydrophobicContact CB-CD1 3.51Å; F953-I1559 HydrophobicContact CB-CG1 4.1Å; F953-I1559 HydrophobicContact CD1-CD1 4.45Å; F953-I1559 HydrophobicContact CD1-CG1 4.1Å; F953-I1559 HydrophobicContact CG-CD1 3.92Å; F953-I1559 HydrophobicContact CG-CG1 3.97Å; F953-N1562 WeakPolarHBondContact CE1-ND2 3.46Å; F953-N1562 WeakPolarHBondContact CZ-ND2 3.38Å; F953-Q1564 HydrophobicContact CZ-CB 4.37Å; F953-F1565 HydrophobicContact CD2-CB 4.02Å; F953-F1565 HydrophobicContact CD2-CD2 4.25Å; F953-F1565 HydrophobicContact CE2-CB 3.69Å; F953-F1565 HydrophobicContact CZ-CB 4.05Å |
| 954 | R | 70.4 | Confident | 66.2 | Low | 129 Ų | 129 | 44.9 Ų | 44.9 | 49% | 0.487 | 23% | 0.232 | S | C | . | . | trans | -73.3 | 138.5 | 179.3 | -72.4 | -176.6 | 174.2 | -146.6 | -1.9 | 111.8 | E950 Y951 S952 D956 I957 | E950-R954 WeakPolarHBondContact O-CG 3.22Å; Y951-R954 WeakPolarHBondContact O-CB 3.42Å; Y951-R954 VanDerWaalsContact O-CG 3.29Å; Y951-R954 WeakPolarHBondContact O-CG 3.43Å; Y951-R954 PolarHBondContact O-N 3.11Å; S952-R954 PolarHBondContact O-N 2.98Å; S952-R954 VanDerWaalsContact O-N 3.17Å; R954-D956 WeakPolarHBondContact CB-OD1 3.1Å; R954-D956 PolarHBondContact O-N 3.12Å; R954-D956 VanDerWaalsContact O-N 3.13Å; R954-I957 HydrophobicContact CB-CD1 4.26Å; R954-I957 HydrophobicContact CB-CG1 4.16Å; R954-I957 PolarHBondContact O-N 2.93Å | ||
| 955 | P | 55.8 | Low | 63.7 | Low | 79 Ų | 79 | 51.4 Ų | 51.4 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -29.9 | -178.6 | -26.6 | 35.2 | 0 | 0 | 0 | 115 | K510 I957 | K510-P955 WeakPolarHBondContact CB-O 3.47Å; K510-P955 HydrophobicContact CD-CB 3.83Å; K510-P955 WeakPolarHBondContact CD-O 3.28Å; K510-P955 HydrophobicContact CG-CB 4.5Å; P955-I957 VanDerWaalsContact C-N 3.27Å; P955-I957 PolarHBondContact O-N 3.27Å |
| 956 | D | 54.4 | Low | 61.2 | Low | 122 Ų | 122 | 52.4 Ų | 52.4 | 65% | 0.652 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -1 | -176.5 | 48.6 | -66.3 | 0 | 0 | 0 | 114.7 | R954 | R954-D956 WeakPolarHBondContact CB-OD1 3.1Å; R954-D956 PolarHBondContact O-N 3.12Å; R954-D956 VanDerWaalsContact O-N 3.13Å |
| 957 | I | 51.8 | Low | 58.7 | Low | 32 Ų | 32 | 56.9 Ų | 56.9 | 16% | 0.164 | 28% | 0.279 | C | S | . | . | trans | -116.9 | 127.4 | -175.6 | -39.8 | -172.4 | 0 | 0 | 0 | 111.4 | Y951 R954 P955 F959 | Y951-I957 HydrophobicContact CD1-CD1 3.77Å; Y951-I957 HydrophobicContact CD2-CD1 4.48Å; Y951-I957 HydrophobicContact CE1-CD1 3.31Å; Y951-I957 HydrophobicContact CE2-CD1 4.08Å; Y951-I957 HydrophobicContact CG-CD1 4.34Å; Y951-I957 VanDerWaalsContact CZ-CD1 3.47Å; Y951-I957 WeakPolarHBondContact O-CD1 3.4Å; R954-I957 HydrophobicContact CB-CD1 4.26Å; R954-I957 HydrophobicContact CB-CG1 4.16Å; R954-I957 PolarHBondContact O-N 2.93Å; P955-I957 VanDerWaalsContact C-N 3.27Å; P955-I957 PolarHBondContact O-N 3.27Å; I957-F959 HydrophobicContact CB-CE1 4.4Å; I957-F959 HydrophobicContact CB-CZ 3.94Å; I957-F959 HydrophobicContact CG2-CD1 4.26Å; I957-F959 HydrophobicContact CG2-CE1 3.36Å; I957-F959 HydrophobicContact CG2-CE2 4.3Å; I957-F959 HydrophobicContact CG2-CZ 3.37Å | ||
| 958 | V | 49 | Very low | 56.3 | Low | 46 Ų | 46 | 60.3 Ų | 60.3 | 28% | 0.279 | 30% | 0.296 | S | S | . | . | trans | -119.4 | 126.5 | -179.4 | 170.6 | 0 | 0 | 0 | 0 | 109 | H489 | H489-V958 WeakPolarHBondContact CE1-CG1 3.43Š| ||
| 959 | F | 56 | Low | 53.7 | Low | 24 Ų | 24 | 63.1 Ų | 63.1 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | trans | -105.6 | 120 | 178.7 | -51.8 | -63.3 | 0 | 0 | 0 | 110.2 | S952 I957 K996 G998 F1000 | S952-F959 WeakPolarHBondContact O-CE2 3.4Å; I957-F959 HydrophobicContact CB-CE1 4.4Å; I957-F959 HydrophobicContact CB-CZ 3.94Å; I957-F959 HydrophobicContact CG2-CD1 4.26Å; I957-F959 HydrophobicContact CG2-CE1 3.36Å; I957-F959 HydrophobicContact CG2-CE2 4.3Å; I957-F959 HydrophobicContact CG2-CZ 3.37Å; F959-K996 VanDerWaalsContact CD1-O 3.27Å; F959-K996 WeakPolarHBondContact CD1-O 3.43Å; F959-K996 WeakPolarHBondContact CE1-O 3.47Å; F959-G998 WeakPolarHBondContact CE2-O 3.18Å; F959-G998 VanDerWaalsContact CZ-O 3.28Å; F959-G998 WeakPolarHBondContact CZ-O 3.45Å; F959-F1000 HydrophobicContact CE2-CZ 4.48Å | ||
| 960 | P | 42.2 | Very low | 51.3 | Low | 45 Ų | 45 | 67 Ų | 67 | 29% | 0.292 | 33% | 0.334 | S | S | . | . | trans | -68 | 144.9 | 173.2 | 29.5 | -33.9 | 0 | 0 | 0 | 110.3 | Y965 L995 | P960-Y965 HydrophobicContact CG-CE2 4.17Å; P960-L995 HydrophobicContact CG-CD1 4.38Å | ||
| 961 | T | 41 | Very low | 48.8 | Very low | 16 Ų | 16 | 69.7 Ų | 69.7 | 10% | 0.098 | 35% | 0.35 | C | S | . | . | trans | -63.9 | 142.4 | 174 | 43 | 0 | 0 | 0 | 0 | 111.3 | I490 N963 H964 | I490-T961 WeakPolarHBondContact O-CG2 3.49Å; T961-N963 PolarHBondContact O-N 2.72Å; T961-H964 PolarHBondContact O-N 2.92Å; T961-H964 VanDerWaalsContact O-N 3.08Å | ||
| 962 | T | 41 | Very low | 46.2 | Very low | 87 Ų | 87 | 74.7 Ų | 74.7 | 53% | 0.534 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -43.6 | 168.8 | 43.8 | 0 | 0 | 0 | 0 | 111.3 | H964 | T962-H964 VanDerWaalsContact C-N 3.26Å; T962-H964 PolarHBondContact O-N 2.8Å; T962-H964 VanDerWaalsContact O-N 3.17Å |
| 963 | N | 35.8 | Very low | 43.6 | Very low | 58 Ų | 58 | 78.7 Ų | 78.7 | 31% | 0.31 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.2 | -179.6 | -66.7 | -24.7 | 0 | 0 | 0 | 115.2 | T961 D1584 | T961-N963 PolarHBondContact O-N 2.72Å; N963-D1584 PolarHBondContact ND2-OD2 2.86Å |
| 964 | H | 37.1 | Very low | 41.1 | Very low | 45 Ų | 45 | 82.5 Ų | 82.5 | 21% | 0.208 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -85.7 | -26.3 | -172.9 | -145.6 | -42.4 | 0 | 0 | 0 | 114.5 | T487 N488 T961 T962 D966 | T487-H964 PolarHBondContact OG1-CD2 3.16Å; T487-H964 VanDerWaalsContact OG1-CD2 3.23Å; T487-H964 PolarHBondContact OG1-NE2 2.94Å; N488-H964 PolarHBondContact OD1-CD2 2.96Å; T961-H964 PolarHBondContact O-N 2.92Å; T961-H964 VanDerWaalsContact O-N 3.08Å; T962-H964 VanDerWaalsContact C-N 3.26Å; T962-H964 PolarHBondContact O-N 2.8Å; T962-H964 VanDerWaalsContact O-N 3.17Å; H964-D966 PolarHBondContact O-N 2.73Å; H964-D966 VanDerWaalsContact O-N 3.14Å |
| 965 | Y | 36 | Very low | 39 | Very low | 141 Ų | 141 | 81 Ų | 81 | 55% | 0.553 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.4 | -14.4 | 174.8 | -93.1 | -77.8 | 0 | 0 | 0 | 113.6 | P960 L995 | P960-Y965 HydrophobicContact CG-CE2 4.17Å; Y965-L995 VanDerWaalsContact OH-CD1 3.23Å; Y965-L995 WeakPolarHBondContact OH-CD1 3.11Å |
| 966 | D | 36.8 | Very low | 37.6 | Very low | 22 Ų | 22 | 82.2 Ų | 82.2 | 12% | 0.118 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -90.2 | -39.4 | -174.9 | -112.8 | -50.9 | 0 | 0 | 0 | 113.7 | H964 I968 A969 R970 R1715 | H964-D966 PolarHBondContact O-N 2.73Å; H964-D966 VanDerWaalsContact O-N 3.14Å; D966-I968 PolarHBondContact O-N 2.88Å; D966-A969 PolarHBondContact O-N 3.25Å; D966-A969 VanDerWaalsContact O-N 3.16Å; D966-R970 VanDerWaalsContact CB-CZ 3.5Å; D966-R970 WeakPolarHBondContact O-CB 3.29Å; D966-R970 VanDerWaalsContact O-CG 3.24Å; D966-R970 WeakPolarHBondContact O-CG 3.37Å; D966-R970 PolarHBondContact O-N 2.97Å; D966-R970 IonicContact OD1-CZ 3.24Å; D966-R970 IonicContact OD1-NE 2.67Å; D966-R970 PolarHBondContact OD1-NE 2.9Å; D966-R970 IonicContact OD1-NH2 3.11Å; D966-R970 PolarHBondContact OD1-NH2 2.79Å; D966-R970 IonicContact OD2-CZ 3.3Å; D966-R970 IonicContact OD2-NE 3.55Å; D966-R970 IonicContact OD2-NH2 2.67Å; D966-R970 PolarHBondContact OD2-NH2 2.86Å; D966-R1715 IonicContact OD1-CZ 2.85Å; D966-R1715 IonicContact OD1-NE 3.99Å; D966-R1715 IonicContact OD1-NH2 3.37Å; D966-R1715 PolarHBondContact OD1-NH2 3.46Å; D966-R1715 IonicContact OD2-CZ 3.58Å; D966-R1715 IonicContact OD2-NE 2.66Å; D966-R1715 PolarHBondContact OD2-NE 3.19Å; D966-R1715 IonicContact OD2-NH2 2.69Å; D966-R1715 PolarHBondContact OD2-NH2 2.9Å |
| 967 | R | 35.7 | Very low | 36.2 | Very low | 96 Ų | 96 | 83.1 Ų | 83.1 | 36% | 0.362 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57 | -47.9 | 179.6 | -75.4 | -172.7 | 175.6 | 166.4 | 1.8 | 112.3 | S535 I536 A969 R970 | S535-R967 PolarHBondContact O-NH1 3.14Å; S535-R967 PolarHBondContact O-NH2 3.26Å; I536-R967 PolarHBondContact O-NH2 2.92Å; R967-A969 PolarHBondContact O-N 3.49Å; R967-A969 VanDerWaalsContact O-N 3.14Å; R967-R970 PolarHBondContact O-N 3.44Å |
| 968 | I | 34.8 | Very low | 35 | Very low | 142 Ų | 142 | 89.4 Ų | 89.4 | 73% | 0.728 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.2 | -20.9 | -176.9 | -58 | 174.6 | 0 | 0 | 0 | 112.5 | D966 | D966-I968 PolarHBondContact O-N 2.88Å |
| 969 | A | 33.2 | Very low | 33.7 | Very low | 60 Ų | 60 | 91.6 Ų | 91.6 | 50% | 0.496 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -95.6 | -37.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D966 R967 | D966-A969 PolarHBondContact O-N 3.25Å; D966-A969 VanDerWaalsContact O-N 3.16Å; R967-A969 PolarHBondContact O-N 3.49Å; R967-A969 VanDerWaalsContact O-N 3.14Å |
| 970 | R | 36.3 | Very low | 32.2 | Very low | 85 Ų | 85 | 97.7 Ų | 97.7 | 32% | 0.321 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -74.2 | -32.1 | -171.2 | -73.1 | 174.9 | -169.6 | 176.2 | 4.9 | 114.3 | D966 R967 K972 | D966-R970 VanDerWaalsContact CB-CZ 3.5Å; D966-R970 WeakPolarHBondContact O-CB 3.29Å; D966-R970 VanDerWaalsContact O-CG 3.24Å; D966-R970 WeakPolarHBondContact O-CG 3.37Å; D966-R970 PolarHBondContact O-N 2.97Å; D966-R970 IonicContact OD1-CZ 3.24Å; D966-R970 IonicContact OD1-NE 2.67Å; D966-R970 PolarHBondContact OD1-NE 2.9Å; D966-R970 IonicContact OD1-NH2 3.11Å; D966-R970 PolarHBondContact OD1-NH2 2.79Å; D966-R970 IonicContact OD2-CZ 3.3Å; D966-R970 IonicContact OD2-NE 3.55Å; D966-R970 IonicContact OD2-NH2 2.67Å; D966-R970 PolarHBondContact OD2-NH2 2.86Å; R967-R970 PolarHBondContact O-N 3.44Å; R970-K972 PolarHBondContact O-N 3.34Å |
| 971 | D | 34.3 | Very low | 31.5 | Very low | 124 Ų | 124 | 101.7 Ų | 101.7 | 66% | 0.663 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 9.8 | -174.2 | -61.2 | -13.8 | 0 | 0 | 0 | 113.9 | ||
| 972 | K | 29.4 | Very low | 30.6 | Very low | 157 Ų | 157 | 108.5 Ų | 108.5 | 68% | 0.683 | 60% | 0.6 | S | S | * | * | trans | -97.8 | 61.6 | 167.5 | -69.3 | -172.8 | 178.1 | -179.3 | 0 | 111.6 | R970 | R970-K972 PolarHBondContact O-N 3.34Š| ||
| 973 | S | 25.9 | Very low | 29.8 | Very low | 87 Ų | 87 | 109.6 Ų | 109.6 | 61% | 0.608 | 61% | 0.611 | S | S | * | * | trans | -60 | 133.3 | 162.9 | 52.9 | 0 | 0 | 0 | 0 | 110.2 | S975 | S973-S975 VanDerWaalsContact C-N 3.3Å; S973-S975 PolarHBondContact O-N 3.3Å | ||
| 974 | P | 27.1 | Very low | 29.3 | Very low | 136 Ų | 136 | 112.9 Ų | 112.9 | 88% | 0.883 | 63% | 0.629 | S | S | * | * | trans | -79.1 | 72.3 | -175.8 | 32.6 | -36.3 | 0 | 0 | 0 | 112.2 | S976 | P974-S976 PolarHBondContact O-N 2.93Š| ||
| 975 | S | 25.1 | Very low | 28.6 | Very low | 98 Ų | 98 | 117 Ų | 117 | 69% | 0.685 | 66% | 0.662 | S | S | * | * | trans | -72.2 | 112.1 | 173.6 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | S973 | S973-S975 VanDerWaalsContact C-N 3.3Å; S973-S975 PolarHBondContact O-N 3.3Å | ||
| 976 | S | 26.5 | Very low | 28 | Very low | 103 Ų | 103 | 112.7 Ų | 112.7 | 72% | 0.72 | 65% | 0.653 | S | S | * | * | S | Bend | trans | 51.3 | 105.1 | 160.5 | 60.3 | 0 | 0 | 0 | 0 | 119 | P974 I978 | P974-S976 PolarHBondContact O-N 2.93Å; S976-I978 PolarHBondContact O-N 2.82Å |
| 977 | N | 25 | Very low | 27.4 | Very low | 142 Ų | 142 | 122.2 Ų | 122.2 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | trans | 11.5 | 91.1 | 148.9 | -64.9 | -22.6 | 0 | 0 | 0 | 118.4 | ||||
| 978 | I | 26.3 | Very low | 26.8 | Very low | 164 Ų | 164 | 124.7 Ų | 124.7 | 84% | 0.841 | 71% | 0.707 | S | S | * | * | trans | -131.6 | 120.1 | 151.8 | -60.2 | -178.3 | 0 | 0 | 0 | 108.8 | S976 | S976-I978 PolarHBondContact O-N 2.82Š| ||
| 979 | S | 23.2 | Very low | 26.3 | Very low | 91 Ų | 91 | 122.7 Ų | 122.7 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | trans | -94.7 | 100.4 | -176.2 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 980 | N | 24.3 | Very low | 26 | Very low | 152 Ų | 152 | 131.7 Ų | 131.7 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | trans | -171.6 | 100.9 | 156.8 | -102.9 | -32.8 | 0 | 0 | 0 | 113.2 | ||||
| 981 | P | 26.6 | Very low | 25.3 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | trans | -106.4 | 50.6 | -179.6 | 39.6 | -33.4 | 0 | 0 | 0 | 113.4 | ||||
| 982 | L | 23.3 | Very low | 24.9 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | trans | -145.1 | 42 | -171.2 | -110.3 | 157.8 | 0 | 0 | 0 | 116 | ||||
| 983 | S | 23.8 | Very low | 24.6 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | trans | -178.1 | 103 | 153.3 | 35 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 984 | N | 24.7 | Very low | 24.9 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 68% | 0.684 | 72% | 0.717 | S | S | * | * | trans | -177.3 | 72 | 146 | -100.1 | -42.5 | 0 | 0 | 0 | 111.6 | S986 | N984-S986 PolarHBondContact O-N 2.87Š| ||
| 985 | S | 22.6 | Very low | 25.2 | Very low | 130 Ų | 130 | 123.7 Ų | 123.7 | 91% | 0.909 | 70% | 0.7 | S | S | * | * | trans | -74.3 | 72 | 171.5 | 55.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 986 | S | 24.2 | Very low | 26 | Very low | 51 Ų | 51 | 122.4 Ų | 122.4 | 36% | 0.357 | 68% | 0.682 | S | S | . | * | trans | -131.1 | 30.6 | 174.6 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | N984 L988 | N984-S986 PolarHBondContact O-N 2.87Å; S986-L988 PolarHBondContact O-N 2.95Å | ||
| 987 | W | 23.9 | Very low | 27.3 | Very low | 222 Ų | 222 | 119.4 Ų | 119.4 | 84% | 0.841 | 66% | 0.661 | S | S | * | * | trans | -86 | 79.6 | 166.8 | -75.7 | 77.4 | 0 | 0 | 0 | 110.1 | ||||
| 988 | L | 22.5 | Very low | 28.7 | Very low | 148 Ų | 148 | 112.7 Ų | 112.7 | 78% | 0.775 | 63% | 0.626 | S | S | * | * | trans | -142.7 | 137.2 | 177.9 | -78.3 | 172.5 | 0 | 0 | 0 | 110.9 | S986 | S986-L988 PolarHBondContact O-N 2.95Š| ||
| 989 | P | 24.2 | Very low | 30.8 | Very low | 100 Ų | 100 | 105.2 Ų | 105.2 | 65% | 0.649 | 59% | 0.589 | S | S | * | * | cis | -134 | 106.5 | -47.1 | 30.2 | -12.4 | 0 | 0 | 0 | 111 | S991 | P989-S991 PolarHBondContact O-N 2.88Š| ||
| 990 | Y | 26.2 | Very low | 33.8 | Very low | 250 Ų | 250 | 101.6 Ų | 101.6 | 98% | 0.98 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -66.4 | 93.9 | 139.7 | -99.1 | -79.8 | 0 | 0 | 0 | 105.9 | ||
| 991 | S | 22.5 | Very low | 36.7 | Very low | 85 Ų | 85 | 94.5 Ų | 94.5 | 59% | 0.594 | 52% | 0.524 | S | S | * | . | trans | -55.5 | 154.5 | -177.5 | 67.7 | 0 | 0 | 0 | 0 | 110.3 | P989 G993 | P989-S991 PolarHBondContact O-N 2.88Å; S991-G993 PolarHBondContact O-N 3.16Å; S991-G993 PolarHBondContact OG-N 3.4Å; S991-G993 VanDerWaalsContact OG-N 3.14Å | ||
| 992 | T | 25.1 | Very low | 39.6 | Very low | 85 Ų | 85 | 88.3 Ų | 88.3 | 52% | 0.521 | 48% | 0.484 | S | S | . | . | trans | -68.3 | 35.2 | 159.3 | 48.3 | 0 | 0 | 0 | 0 | 111.7 | M860 I994 | M860-T992 VanDerWaalsContact CE-O 3.28Å; M860-T992 WeakPolarHBondContact CE-O 3.38Å; M860-T992 VanDerWaalsContact SD-CB 3.59Å; M860-T992 PolarHBondContact SD-OG1 3.47Å; T992-I994 PolarHBondContact O-N 3.26Å | ||
| 993 | G | 24.1 | Very low | 42.8 | Very low | 38 Ų | 38 | 80.9 Ų | 80.9 | 39% | 0.392 | 45% | 0.446 | S | S | . | . | trans | -57.5 | 134.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | S991 L995 | S991-G993 PolarHBondContact O-N 3.16Å; S991-G993 PolarHBondContact OG-N 3.4Å; S991-G993 VanDerWaalsContact OG-N 3.14Å; G993-L995 VanDerWaalsContact C-N 3.25Å; G993-L995 PolarHBondContact O-N 3.49Å | ||
| 994 | I | 31.2 | Very low | 46.1 | Very low | 114 Ų | 114 | 76.4 Ų | 76.4 | 59% | 0.585 | 41% | 0.412 | S | S | * | . | trans | -71.1 | 88.2 | -178 | -59.6 | 160.9 | 0 | 0 | 0 | 107.2 | T992 K996 | T992-I994 PolarHBondContact O-N 3.26Å; I994-K996 PolarHBondContact O-N 3.33Å | ||
| 995 | L | 33.7 | Very low | 49.1 | Very low | 98 Ų | 98 | 72 Ų | 72 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | trans | -58.1 | 97.9 | 155.6 | -84.8 | 159.8 | 0 | 0 | 0 | 105.6 | P960 Y965 G993 S997 | P960-L995 HydrophobicContact CG-CD1 4.38Å; Y965-L995 VanDerWaalsContact OH-CD1 3.23Å; Y965-L995 WeakPolarHBondContact OH-CD1 3.11Å; G993-L995 VanDerWaalsContact C-N 3.25Å; G993-L995 PolarHBondContact O-N 3.49Å; L995-S997 PolarHBondContact O-N 2.89Å | ||
| 996 | K | 41.5 | Very low | 52.4 | Low | 71 Ų | 71 | 66 Ų | 66 | 31% | 0.309 | 35% | 0.346 | S | S | . | . | trans | -55.9 | 109.2 | 177.2 | -65.1 | 180 | -179 | -179.3 | 0 | 106.8 | Y951 F959 I994 G998 | Y951-K996 HydrophobicContact CE1-CD 3.87Å; Y951-K996 PolarHBondContact OH-NZ 3.09Å; F959-K996 VanDerWaalsContact CD1-O 3.27Å; F959-K996 WeakPolarHBondContact CD1-O 3.43Å; F959-K996 WeakPolarHBondContact CE1-O 3.47Å; I994-K996 PolarHBondContact O-N 3.33Å; K996-G998 PolarHBondContact O-N 3.03Å | ||
| 997 | S | 54 | Low | 55.6 | Low | 41 Ų | 41 | 63.7 Ų | 63.7 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | trans | -63.2 | 100.2 | 172.5 | 17.8 | 0 | 0 | 0 | 0 | 106.3 | D898 E899 N900 L995 | D898-S997 CarbonylContact C-O 3.44Å; D898-S997 WeakPolarHBondContact CA-O 3.22Å; D898-S997 VanDerWaalsContact CG-OG 3.26Å; D898-S997 WeakPolarHBondContact OD1-CB 3.5Å; D898-S997 VanDerWaalsContact OD1-O 3.07Å; D898-S997 PolarHBondContact OD1-OG 3.43Å; D898-S997 PolarHBondContact OD2-N 2.89Å; D898-S997 PolarHBondContact OD2-OG 2.95Å; E899-S997 WeakPolarHBondContact CB-O 3.31Å; E899-S997 PolarHBondContact N-O 3Å; N900-S997 WeakPolarHBondContact ND2-CB 3.09Å; N900-S997 PolarHBondContact ND2-OG 2.68Å; L995-S997 PolarHBondContact O-N 2.89Å | ||
| 998 | G | 55.9 | Low | 58.9 | Low | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | trans | -128.5 | 32.9 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S952 F959 K996 | S952-G998 WeakPolarHBondContact CB-O 3.4Å; S952-G998 WeakPolarHBondContact OG-CA 3.46Å; S952-G998 PolarHBondContact OG-O 3.14Å; F959-G998 WeakPolarHBondContact CE2-O 3.18Å; F959-G998 VanDerWaalsContact CZ-O 3.28Å; F959-G998 WeakPolarHBondContact CZ-O 3.45Å; K996-G998 PolarHBondContact O-N 3.03Å | ||
| 999 | G | 70.2 | Confident | 62.2 | Low | 7 Ų | 7 | 46.7 Ų | 46.7 | 7% | 0.072 | 26% | 0.255 | C | S | . | . | trans | -64.1 | 177.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E899 R902 S1002 D1572 | E899-G999 VanDerWaalsContact CD-C 3.42Å; E899-G999 VanDerWaalsContact CD-O 3.27Å; E899-G999 VanDerWaalsContact OE2-C 3.27Å; E899-G999 WeakPolarHBondContact OE2-CA 3.48Å; E899-G999 PolarHBondContact OE2-N 3.05Å; E899-G999 VanDerWaalsContact OE2-N 3.11Å; R902-G999 PolarHBondContact NH2-O 2.88Å; G999-S1002 PolarHBondContact O-OG 3.02Å; G999-D1572 VanDerWaalsContact CA-OD2 3.25Å; G999-D1572 WeakPolarHBondContact CA-OD2 3.5Å | ||
| 1000 | F | 86 | Confident | 65.4 | Low | 14 Ų | 14 | 41.9 Ų | 41.9 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -108.7 | 0.3 | -171 | -59.1 | -72.2 | 0 | 0 | 0 | 114.2 | L949 F953 F959 S1002 A1003 F1565 D1568 D1572 | L949-F1000 HydrophobicContact CD2-CD1 4.28Å; F953-F1000 HydrophobicContact CB-CE1 3.88Å; F953-F1000 HydrophobicContact CB-CZ 4.14Å; F953-F1000 HydrophobicContact CD2-CE1 4.05Å; F953-F1000 AromaticContact CD2-CZ 3.91Å; F953-F1000 HydrophobicContact CD2-CZ 3.91Å; F953-F1000 HydrophobicContact CG-CE1 4.48Å; F959-F1000 HydrophobicContact CE2-CZ 4.48Å; F1000-S1002 PolarHBondContact O-N 2.97Å; F1000-A1003 WeakPolarHBondContact O-CB 3.45Å; F1000-A1003 PolarHBondContact O-N 3.49Å; F1000-F1565 HydrophobicContact CD1-CD2 4.06Å; F1000-F1565 AromaticContact CD1-CE2 3.94Å; F1000-F1565 HydrophobicContact CD1-CE2 3.94Å; F1000-F1565 HydrophobicContact CE1-CD2 4.43Å; F1000-D1568 HydrophobicContact CD2-CB 3.96Å; F1000-D1568 HydrophobicContact CE2-CB 4.24Å; F1000-D1572 HydrophobicContact CB-CB 4.39Å; F1000-D1572 WeakPolarHBondContact CD2-OD2 3.27Å; F1000-D1572 PolarHBondContact N-OD2 2.87Å |
| 1001 | A | 83.9 | Confident | 68.6 | Low | 3 Ų | 3 | 30.2 Ų | 30.2 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -33.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E899 A1003 F1004 D1572 T1573 Q1576 | E899-A1001 PolarHBondContact OE1-N 3.43Å; A1001-A1003 PolarHBondContact O-N 3.09Å; A1001-F1004 PolarHBondContact O-N 2.83Å; A1001-D1572 HydrophobicContact CB-CB 4.35Å; A1001-T1573 WeakPolarHBondContact CA-OG1 3.28Å; A1001-Q1576 HydrophobicContact CB-CB 4.01Å |
| 1002 | S | 87.9 | Confident | 71.9 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -50.3 | -24.1 | 167.1 | 43.7 | 0 | 0 | 0 | 0 | 114.8 | E899 R902 N903 G999 F1000 L1006 | E899-S1002 VanDerWaalsContact OE1-CB 3.26Å; E899-S1002 WeakPolarHBondContact OE1-CB 3.47Å; E899-S1002 PolarHBondContact OE1-N 3.37Å; E899-S1002 PolarHBondContact OE1-OG 3.43Å; R902-S1002 PolarHBondContact NE-OG 3.44Å; R902-S1002 PolarHBondContact NH2-OG 2.85Å; N903-S1002 VanDerWaalsContact OD1-CB 3.27Å; N903-S1002 WeakPolarHBondContact OD1-CB 3.43Å; G999-S1002 PolarHBondContact O-OG 3.02Å; F1000-S1002 PolarHBondContact O-N 2.97Å; S1002-L1006 WeakPolarHBondContact O-CB 3.43Å; S1002-L1006 PolarHBondContact O-N 2.85Å; S1002-L1006 VanDerWaalsContact O-N 3.12Å |
| 1003 | A | 91.7 | Very high | 75.1 | Confident | 3 Ų | 3 | 22.3 Ų | 22.3 | 3% | 0.025 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.7 | -37.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L949 F1000 A1001 L1006 M1007 F1565 | L949-A1003 HydrophobicContact CD1-CB 3.88Å; L949-A1003 HydrophobicContact CD2-CB 4.26Å; F1000-A1003 WeakPolarHBondContact O-CB 3.45Å; F1000-A1003 PolarHBondContact O-N 3.49Å; A1001-A1003 PolarHBondContact O-N 3.09Å; A1003-L1006 PolarHBondContact O-N 2.96Å; A1003-M1007 VanDerWaalsContact O-CG 3.27Å; A1003-M1007 WeakPolarHBondContact O-CG 3.47Å; A1003-M1007 PolarHBondContact O-N 3.35Å; A1003-F1565 HydrophobicContact CB-CE2 4.26Å; A1003-F1565 HydrophobicContact CB-CZ 3.8Å |
| 1004 | F | 92 | Very high | 78.3 | Confident | 15 Ų | 15 | 21.7 Ų | 21.7 | 7% | 0.066 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.8 | -44.4 | -180 | -88.5 | -118.1 | 0 | 0 | 0 | 111.2 | A1001 L1006 M1007 E1008 T1573 I1616 M1620 F1623 | A1001-F1004 PolarHBondContact O-N 2.83Å; F1004-L1006 VanDerWaalsContact C-N 3.32Å; F1004-L1006 PolarHBondContact O-N 3.03Å; F1004-M1007 PolarHBondContact O-N 2.97Å; F1004-E1008 PolarHBondContact O-N 3.3Å; F1004-T1573 HydrophobicContact CB-CG2 4.13Å; F1004-T1573 HydrophobicContact CD1-CG2 3.98Å; F1004-T1573 HydrophobicContact CD2-CG2 4.35Å; F1004-T1573 WeakPolarHBondContact CD2-OG1 3.5Å; F1004-T1573 HydrophobicContact CG-CG2 3.9Å; F1004-T1573 WeakPolarHBondContact CG-OG1 3.23Å; F1004-I1616 HydrophobicContact CD1-CG2 4.18Å; F1004-I1616 HydrophobicContact CE1-CG2 3.47Å; F1004-I1616 VanDerWaalsContact CE1-CG2 3.47Å; F1004-I1616 HydrophobicContact CZ-CG2 3.87Å; F1004-M1620 HydrophobicContact CE1-CB 4.13Å; F1004-M1620 HydrophobicContact CZ-CB 3.82Å; F1004-M1620 HydrophobicContact CZ-CG 4.15Å; F1004-M1620 HydrophobicContact CZ-SD 4.33Å; F1004-F1623 HydrophobicContact CB-CE2 4.14Å; F1004-F1623 HydrophobicContact CD1-CD2 4.06Å; F1004-F1623 AromaticContact CD1-CE2 3.6Å; F1004-F1623 HydrophobicContact CD1-CE2 3.6Å; F1004-F1623 HydrophobicContact CE1-CD2 4.25Å; F1004-F1623 HydrophobicContact CE1-CE2 4.18Å; F1004-F1623 HydrophobicContact CG-CD2 4.34Å; F1004-F1623 AromaticContact CG-CE2 3.95Å; F1004-F1623 HydrophobicContact CG-CE2 3.95Å |
| 1005 | M | 87.8 | Confident | 81.2 | Confident | 37 Ų | 37 | 17.8 Ų | 17.8 | 18% | 0.182 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.2 | -32.8 | 175.3 | -62.3 | -171 | -76.9 | 0 | 0 | 112.7 | N903 I906 V1009 | N903-M1005 HydrophobicContact CB-CE 4.11Å; N903-M1005 WeakPolarHBondContact OD1-CE 3.38Å; I906-M1005 HydrophobicContact CD1-CB 4.07Å; I906-M1005 HydrophobicContact CG2-CB 3.84Å; M1005-V1009 WeakPolarHBondContact O-CG2 3.47Å; M1005-V1009 PolarHBondContact O-N 3.03Å |
| 1006 | L | 91.8 | Very high | 83.5 | Confident | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.2 | -43.2 | 172.9 | 174.1 | 144.1 | 0 | 0 | 0 | 111.9 | I906 L942 M945 I946 L949 S1002 A1003 F1004 V1009 A1010 | I906-L1006 HydrophobicContact CD1-CB 4.25Å; L942-L1006 HydrophobicContact CD2-CD1 4.29Å; L942-L1006 HydrophobicContact CD2-CG 3.99Å; M945-L1006 HydrophobicContact CB-CD1 3.35Å; M945-L1006 HydrophobicContact CG-CD1 4.31Å; M945-L1006 HydrophobicContact SD-CD1 4.02Å; I946-L1006 HydrophobicContact CG1-CD1 4.13Å; I946-L1006 HydrophobicContact CG1-CD2 4.2Å; L949-L1006 HydrophobicContact CD1-CD1 4.33Å; S1002-L1006 WeakPolarHBondContact O-CB 3.43Å; S1002-L1006 PolarHBondContact O-N 2.85Å; S1002-L1006 VanDerWaalsContact O-N 3.12Å; A1003-L1006 PolarHBondContact O-N 2.96Å; F1004-L1006 VanDerWaalsContact C-N 3.32Å; F1004-L1006 PolarHBondContact O-N 3.03Å; L1006-V1009 PolarHBondContact O-N 2.82Å; L1006-A1010 PolarHBondContact O-N 3.09Å; L1006-A1010 VanDerWaalsContact O-N 3.13Å |
| 1007 | M | 92.6 | Very high | 85.2 | Confident | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.01 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -72.5 | -33.1 | 179.5 | -65.5 | -63.4 | 175.3 | 0 | 0 | 112 | A1003 F1004 V1009 A1010 H1011 F1550 L1560 W1566 F1623 M1626 | A1003-M1007 VanDerWaalsContact O-CG 3.27Å; A1003-M1007 WeakPolarHBondContact O-CG 3.47Å; A1003-M1007 PolarHBondContact O-N 3.35Å; F1004-M1007 PolarHBondContact O-N 2.97Å; M1007-V1009 PolarHBondContact O-N 3.07Å; M1007-A1010 PolarHBondContact O-N 3.17Å; M1007-H1011 VanDerWaalsContact O-CB 3.24Å; M1007-H1011 WeakPolarHBondContact O-CB 3.07Å; M1007-H1011 PolarHBondContact O-N 3.04Å; M1007-F1550 HydrophobicContact CE-CZ 4.41Å; M1007-F1550 HydrophobicContact SD-CZ 4.16Å; M1007-L1560 HydrophobicContact CE-CD1 4.11Å; M1007-L1560 HydrophobicContact CE-CD2 3.66Å; M1007-W1566 HydrophobicContact CE-CH2 4.28Å; M1007-F1623 HydrophobicContact CB-CB 4.06Å; M1007-F1623 HydrophobicContact CB-CD1 3.47Å; M1007-F1623 VanDerWaalsContact CB-CD1 3.47Å; M1007-F1623 HydrophobicContact CB-CD2 3.71Å; M1007-F1623 HydrophobicContact CB-CE1 3.69Å; M1007-F1623 HydrophobicContact CB-CE2 3.92Å; M1007-F1623 HydrophobicContact CB-CG 3.47Å; M1007-F1623 VanDerWaalsContact CB-CG 3.47Å; M1007-F1623 HydrophobicContact CB-CZ 3.92Å; M1007-F1623 HydrophobicContact CG-CB 4.26Å; M1007-F1623 HydrophobicContact CG-CD2 4.38Å; M1007-F1623 HydrophobicContact CG-CG 4.17Å; M1007-M1626 HydrophobicContact CB-CE 3.95Å; M1007-M1626 HydrophobicContact CG-CE 4.29Å; M1007-M1626 HydrophobicContact SD-CE 3.57Å; M1007-M1626 VanDerWaalsContact SD-CE 3.57Å |
| 1008 | E | 92.5 | Very high | 85.7 | Confident | 13 Ų | 13 | 23.1 Ų | 23.1 | 6% | 0.061 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.4 | -48.4 | 170.5 | -178.9 | -171.1 | 136 | 0 | 0 | 111.6 | N910 I924 F1004 H1011 T1012 F1623 L1672 R1678 | N910-E1008 PolarHBondContact ND2-OE1 3.18Å; I924-E1008 HydrophobicContact CD1-CG 4.01Å; I924-E1008 HydrophobicContact CG2-CG 4.46Å; F1004-E1008 PolarHBondContact O-N 3.3Å; E1008-H1011 PolarHBondContact O-N 3.27Å; E1008-T1012 HydrophobicContact CG-CG2 4.42Å; E1008-T1012 WeakPolarHBondContact O-CB 3.2Å; E1008-T1012 WeakPolarHBondContact O-CG2 3.35Å; E1008-T1012 PolarHBondContact O-N 2.83Å; E1008-T1012 PolarHBondContact O-OG1 3.1Å; E1008-F1623 HydrophobicContact CB-CZ 4.26Å; E1008-L1672 HydrophobicContact CB-CD1 4.38Å; E1008-L1672 HydrophobicContact CG-CD1 4.16Å; E1008-R1678 IonicContact OE1-CZ 3.58Å; E1008-R1678 IonicContact OE1-NH1 2.66Å; E1008-R1678 PolarHBondContact OE1-NH1 2.86Å; E1008-R1678 IonicContact OE1-NH2 3.8Å; E1008-R1678 PolarHBondContact OE1-NH2 3.49Å; E1008-R1678 IonicContact OE2-CZ 2.66Å; E1008-R1678 IonicContact OE2-NH2 2.64Å; E1008-R1678 PolarHBondContact OE2-NH2 3.11Å |
| 1009 | V | 91.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.6 | -44.3 | 177.1 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | I906 N910 I938 L942 M1005 L1006 M1007 H1011 H1013 L1545 | I906-V1009 HydrophobicContact CG2-CG2 4.17Å; N910-V1009 HydrophobicContact CB-CG2 3.6Å; I938-V1009 HydrophobicContact CG2-CG1 4.16Å; L942-V1009 HydrophobicContact CD1-CG1 4.09Å; L942-V1009 HydrophobicContact CD2-CB 4.38Å; L942-V1009 HydrophobicContact CD2-CG1 4.27Å; M1005-V1009 WeakPolarHBondContact O-CG2 3.47Å; M1005-V1009 PolarHBondContact O-N 3.03Å; L1006-V1009 PolarHBondContact O-N 2.82Å; M1007-V1009 PolarHBondContact O-N 3.07Å; V1009-H1011 VanDerWaalsContact C-N 3.3Å; V1009-H1011 PolarHBondContact O-N 2.88Å; V1009-H1013 WeakPolarHBondContact O-CB 3.49Å; V1009-H1013 PolarHBondContact O-N 2.69Å; V1009-H1013 VanDerWaalsContact O-N 3.1Å; V1009-H1013 PolarHBondContact O-ND1 2.6Å; V1009-L1545 HydrophobicContact CG1-CD1 4.06Å |
| 1010 | A | 91.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.1 | -37.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1006 M1007 F1546 I1549 M1626 | L1006-A1010 PolarHBondContact O-N 3.09Å; L1006-A1010 VanDerWaalsContact O-N 3.13Å; M1007-A1010 PolarHBondContact O-N 3.17Å; A1010-F1546 HydrophobicContact CB-CB 4.3Å; A1010-F1546 PolarHBondContact O-N 3.02Å; A1010-F1546 VanDerWaalsContact O-N 3.08Å; A1010-I1549 HydrophobicContact CB-CD1 3.76Å; A1010-M1626 HydrophobicContact CB-CE 4.2Å; A1010-M1626 HydrophobicContact CB-SD 4.35Å |
| 1011 | H | 92.6 | Very high | 82 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 2% | 0.023 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -78.7 | -36.9 | -177.8 | -166.2 | -77.6 | 0 | 0 | 0 | 113.2 | M1007 E1008 V1009 Y1544 F1623 M1626 N1668 I1670 L1672 | M1007-H1011 VanDerWaalsContact O-CB 3.24Å; M1007-H1011 WeakPolarHBondContact O-CB 3.07Å; M1007-H1011 PolarHBondContact O-N 3.04Å; E1008-H1011 PolarHBondContact O-N 3.27Å; V1009-H1011 VanDerWaalsContact C-N 3.3Å; V1009-H1011 PolarHBondContact O-N 2.88Å; H1011-Y1544 VanDerWaalsContact O-CD1 3.31Å; H1011-Y1544 WeakPolarHBondContact O-CD1 3.32Å; H1011-F1623 HydrophobicContact CB-CE1 4.42Å; H1011-M1626 VanDerWaalsContact CA-SD 3.56Å; H1011-M1626 HydrophobicContact CB-CE 4.45Å; H1011-M1626 HydrophobicContact CB-SD 3.54Å; H1011-M1626 VanDerWaalsContact CB-SD 3.54Å; H1011-N1668 WeakPolarHBondContact NE2-CA 3.44Å; H1011-I1670 PolarHBondContact CE1-O 2.91Å; H1011-I1670 PolarHBondContact NE2-O 3.39Å; H1011-L1672 HydrophobicContact CB-CD1 4.01Å |
| 1012 | T | 92.2 | Very high | 79.6 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -97.2 | -27.2 | -169.8 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | I924 N926 V927 E1008 L1672 | I924-T1012 HydrophobicContact CG2-CG2 4Å; N926-T1012 CarbonylContact C-O 3.52Å; N926-T1012 VanDerWaalsContact CA-O 3.3Å; N926-T1012 WeakPolarHBondContact CA-O 3.49Å; N926-T1012 WeakPolarHBondContact OD1-CA 3.37Å; N926-T1012 PolarHBondContact OD1-O 3.29Å; V927-T1012 PolarHBondContact N-O 2.89Å; E1008-T1012 HydrophobicContact CG-CG2 4.42Å; E1008-T1012 WeakPolarHBondContact O-CB 3.2Å; E1008-T1012 WeakPolarHBondContact O-CG2 3.35Å; E1008-T1012 PolarHBondContact O-N 2.83Å; E1008-T1012 PolarHBondContact O-OG1 3.1Å; T1012-L1672 HydrophobicContact CG2-CD1 3.93Å |
| 1013 | H | 92.4 | Very high | 77 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 130.6 | -173 | -65.6 | 48.7 | 0 | 0 | 0 | 111.9 | N910 V927 I929 V1009 L1545 | N910-H1013 PolarHBondContact OD1-CE1 3.43Å; V927-H1013 HydrophobicContact CB-CB 4.47Å; V927-H1013 WeakPolarHBondContact O-CA 3.43Å; I929-H1013 HydrophobicContact CD1-CB 3.9Å; I929-H1013 HydrophobicContact CG1-CB 4.34Å; V1009-H1013 WeakPolarHBondContact O-CB 3.49Å; V1009-H1013 PolarHBondContact O-N 2.69Å; V1009-H1013 VanDerWaalsContact O-N 3.1Å; V1009-H1013 PolarHBondContact O-ND1 2.6Å; H1013-L1545 HydrophobicContact CB-CD1 3.73Å; H1013-L1545 HydrophobicContact CB-CG 4.42Å; H1013-L1545 PolarHBondContact O-N 3.27Å; H1013-L1545 VanDerWaalsContact O-N 3.1Å |
| 1014 | F | 91.9 | Very high | 74.2 | Confident | 24 Ų | 24 | 62 Ų | 62 | 11% | 0.105 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 153 | -174.6 | 70.1 | -81.1 | 0 | 0 | 0 | 113.1 | N926 V927 P928 I929 W1542 T1543 Y1544 | N926-F1014 HydrophobicContact CB-CD1 4.2Å; N926-F1014 HydrophobicContact CB-CE1 3.94Å; V927-F1014 WeakPolarHBondContact O-CD1 3.47Å; V927-F1014 PolarHBondContact O-N 3.04Å; P928-F1014 HydrophobicContact CB-CE1 4.07Å; P928-F1014 HydrophobicContact CB-CE2 4.22Å; P928-F1014 HydrophobicContact CB-CZ 3.74Å; I929-F1014 PolarHBondContact N-O 2.82Å; F1014-W1542 HydrophobicContact CD2-CB 4.12Å; F1014-W1542 HydrophobicContact CD2-CD2 4.27Å; F1014-W1542 HydrophobicContact CD2-CG 4.06Å; F1014-W1542 HydrophobicContact CE2-CD2 4.04Å; F1014-W1542 HydrophobicContact CE2-CE3 4.36Å; F1014-W1542 HydrophobicContact CE2-CG 4.2Å; F1014-T1543 CarbonylContact C-O 3.33Å; F1014-T1543 VanDerWaalsContact CA-O 3.27Å; F1014-T1543 WeakPolarHBondContact CA-O 3.24Å; F1014-T1543 WeakPolarHBondContact CB-O 3.26Å; F1014-Y1544 HydrophobicContact CB-CD1 3.71Å; F1014-Y1544 HydrophobicContact CB-CD2 4.2Å; F1014-Y1544 HydrophobicContact CB-CE1 3.83Å; F1014-Y1544 HydrophobicContact CB-CE2 4.29Å; F1014-Y1544 HydrophobicContact CB-CG 3.9Å; F1014-Y1544 HydrophobicContact CD1-CE1 4.13Å; F1014-Y1544 HydrophobicContact CG-CE1 4.25Å |
| 1015 | Y | 91.1 | Very high | 71.5 | Confident | 33 Ų | 33 | 68.1 Ų | 68.1 | 13% | 0.129 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 141.7 | 171.8 | -179.1 | -104.4 | 0 | 0 | 0 | 111.3 | I929 W932 Y935 L1017 W1542 T1543 | I929-Y1015 WeakPolarHBondContact O-CD2 3.49Å; W932-Y1015 HydrophobicContact CB-CE1 4.17Å; W932-Y1015 HydrophobicContact CB-CE2 4.27Å; W932-Y1015 HydrophobicContact CD2-CD1 4.32Å; W932-Y1015 HydrophobicContact CD2-CE1 4.13Å; W932-Y1015 AromaticContact CE3-CD1 3.34Å; W932-Y1015 HydrophobicContact CE3-CD1 3.34Å; W932-Y1015 AromaticContact CE3-CE1 3.58Å; W932-Y1015 HydrophobicContact CE3-CE1 3.58Å; W932-Y1015 AromaticContact CE3-CG 3.89Å; W932-Y1015 HydrophobicContact CE3-CG 3.89Å; W932-Y1015 HydrophobicContact CG-CE1 4.4Å; W932-Y1015 AromaticContact CZ3-CD1 3.73Å; W932-Y1015 HydrophobicContact CZ3-CD1 3.73Å; W932-Y1015 HydrophobicContact CZ3-CE1 4.29Å; W932-Y1015 HydrophobicContact CZ3-CG 4.34Å; Y935-Y1015 HydrophobicContact CG-CG 4.49Å; Y1015-L1017 HydrophobicContact CD1-CD2 4.01Å; Y1015-L1017 HydrophobicContact CD1-CG 4.44Å; Y1015-L1017 HydrophobicContact CE1-CD2 4.23Å; Y1015-W1542 CarbonylContact O-C 3.59Å; Y1015-W1542 WeakPolarHBondContact O-CA 3.47Å; Y1015-T1543 PolarHBondContact N-O 2.61Å; Y1015-T1543 PolarHBondContact O-N 3.44Å |
| 1016 | R | 83.5 | Confident | 68.8 | Low | 163 Ų | 163 | 73 Ų | 73 | 62% | 0.615 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 104.4 | 176.1 | -179.1 | 169.6 | -169.8 | 179.1 | 1.4 | 110.4 | ||
| 1017 | L | 76 | Confident | 65.9 | Low | 59 Ų | 59 | 79.8 Ų | 79.8 | 31% | 0.309 | 42% | 0.42 | S | S | . | . | trans | -65.9 | 147.1 | 178.6 | -58.8 | 162.6 | 0 | 0 | 0 | 111 | W932 Y1015 N1019 P1541 T1543 | W932-L1017 HydrophobicContact CH2-CD2 4.33Å; W932-L1017 HydrophobicContact CZ3-CD2 4.2Å; Y1015-L1017 HydrophobicContact CD1-CD2 4.01Å; Y1015-L1017 HydrophobicContact CD1-CG 4.44Å; Y1015-L1017 HydrophobicContact CE1-CD2 4.23Å; L1017-N1019 PolarHBondContact O-N 2.95Å; L1017-P1541 HydrophobicContact CB-CB 4.07Å; L1017-P1541 VanDerWaalsContact CB-O 3.3Å; L1017-P1541 WeakPolarHBondContact CB-O 3.37Å; L1017-P1541 HydrophobicContact CD1-CB 4.32Å; L1017-P1541 PolarHBondContact N-O 2.98Å; L1017-T1543 HydrophobicContact CD1-CG2 4.19Å; L1017-T1543 HydrophobicContact CD2-CG2 4.13Å; L1017-T1543 HydrophobicContact CG-CG2 4.11Å | ||
| 1018 | P | 65.4 | Low | 63 | Low | 99 Ų | 99 | 87.1 Ų | 87.1 | 64% | 0.643 | 45% | 0.454 | S | S | * | . | trans | -64.2 | 132.4 | 175.5 | -23.4 | 34.4 | 0 | 0 | 0 | 113.3 | R1020 | P1018-R1020 PolarHBondContact O-N 1.83Å; P1018-R1020 VanDerWaalsContact O-N 3.14Å | ||
| 1019 | N | 53 | Low | 59.9 | Low | 118 Ų | 118 | 93.4 Ų | 93.4 | 63% | 0.631 | 49% | 0.488 | S | S | * | . | trans | -65.4 | 109.2 | 175.9 | -94.4 | -15.9 | 0 | 0 | 0 | 111.5 | L1017 T1021 P1541 | L1017-N1019 PolarHBondContact O-N 2.95Å; N1019-T1021 PolarHBondContact O-N 2.74Å; N1019-P1541 WeakPolarHBondContact OD1-CD 2.88Å; N1019-P1541 VanDerWaalsContact OD1-CG 3.27Å; N1019-P1541 WeakPolarHBondContact OD1-CG 3.39Å | ||
| 1020 | R | 40.4 | Very low | 57 | Low | 226 Ų | 226 | 101.4 Ų | 101.4 | 85% | 0.853 | 53% | 0.525 | S | S | * | . | trans | -86 | 76 | 172.3 | -77.7 | -175 | 165.6 | -176.2 | -3.9 | 112.5 | P1018 | P1018-R1020 PolarHBondContact O-N 1.83Å; P1018-R1020 VanDerWaalsContact O-N 3.14Å | ||
| 1021 | T | 41.2 | Very low | 53.8 | Low | 129 Ų | 129 | 111.1 Ų | 111.1 | 79% | 0.791 | 57% | 0.568 | S | S | * | * | trans | -142.1 | 128.9 | 164.9 | 51 | 0 | 0 | 0 | 0 | 108.4 | N1019 | N1019-T1021 PolarHBondContact O-N 2.74Š| ||
| 1022 | G | 33.4 | Very low | 50.8 | Low | 77 Ų | 77 | 118.5 Ų | 118.5 | 79% | 0.794 | 60% | 0.6 | S | S | * | * | trans | -126.9 | -170.9 | -162.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1023 | H | 32.6 | Very low | 47.6 | Very low | 179 Ų | 179 | 127.3 Ų | 127.3 | 83% | 0.829 | 64% | 0.638 | S | S | * | * | trans | 73.1 | 126.5 | -178.8 | -92.3 | -78.5 | 0 | 0 | 0 | 118.8 | ||||
| 1024 | T | 32.2 | Very low | 44.4 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 71% | 0.712 | 68% | 0.677 | S | S | * | * | trans | 61.2 | 129.8 | 157.5 | 49.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1025 | D | 36.3 | Very low | 41.3 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 70% | 0.704 | S | S | * | * | cis | -139.1 | 176.4 | 11.6 | -88.3 | -43.7 | 0 | 0 | 0 | 113.7 | ||||
| 1026 | N | 31.4 | Very low | 38.2 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | -80.9 | 141.8 | -167.1 | -40.5 | -74.9 | 0 | 0 | 0 | 114.7 | ||||
| 1027 | N | 29.7 | Very low | 35.5 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | 179.9 | 163 | 102.2 | -96.2 | -12.9 | 0 | 0 | 0 | 114.2 | |||||
| 1028 | H | 31.4 | Very low | 33.3 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 71.3 | 98.4 | 171.1 | -69.1 | -61.1 | 0 | 0 | 0 | 120 | ||||
| 1029 | D | 27.9 | Very low | 31.5 | Very low | 144 Ų | 144 | 147.8 Ų | 147.8 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | 52.1 | 88 | 122.2 | -58.1 | -57.2 | 0 | 0 | 0 | 120.1 | |||||
| 1030 | E | 30.9 | Very low | 30.3 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | -148.2 | 142.1 | 129.7 | -134.9 | 175.5 | -147 | 0 | 0 | 112.3 | F1032 | E1030-F1032 PolarHBondContact O-N 3.3Å; E1030-F1032 WeakPolarHBondContact OE2-CE2 3.38Å | |||
| 1031 | K | 25.3 | Very low | 29.9 | Very low | 204 Ų | 204 | 143.6 Ų | 143.6 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | trans | -87.7 | 95.7 | -176.8 | -78.4 | -179.3 | 178.1 | 171.4 | 0 | 111.7 | ||||
| 1032 | F | 28.5 | Very low | 29.1 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | trans | -105.4 | 122.2 | 165.3 | -85.9 | -82.5 | 0 | 0 | 0 | 113.1 | E1030 W1034 | E1030-F1032 PolarHBondContact O-N 3.3Å; E1030-F1032 WeakPolarHBondContact OE2-CE2 3.38Å; F1032-W1034 PolarHBondContact O-N 2.83Å | ||
| 1033 | F | 25.4 | Very low | 28.8 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | trans | -71.4 | 106.8 | 175.9 | -103.5 | -94 | 0 | 0 | 0 | 110.9 | N1035 | F1033-N1035 VanDerWaalsContact C-N 3.33Å; F1033-N1035 PolarHBondContact O-N 3.03Å; F1033-N1035 VanDerWaalsContact O-N 3.12Å | ||
| 1034 | W | 25.7 | Very low | 28.6 | Very low | 219 Ų | 219 | 144.4 Ų | 144.4 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | trans | -82.1 | 78 | 165.3 | -76.5 | 97.3 | 0 | 0 | 0 | 111 | F1032 | F1032-W1034 PolarHBondContact O-N 2.83Š| ||
| 1035 | N | 25.1 | Very low | 28.4 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | trans | -108.8 | 144.1 | 159.9 | -85.6 | -27.3 | 0 | 0 | 0 | 109 | F1033 | F1033-N1035 VanDerWaalsContact C-N 3.33Å; F1033-N1035 PolarHBondContact O-N 3.03Å; F1033-N1035 VanDerWaalsContact O-N 3.12Å | ||
| 1036 | S | 27.3 | Very low | 27.8 | Very low | 119 Ų | 119 | 150.2 Ų | 150.2 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | 79.7 | 43.2 | -178.6 | -47.4 | 0 | 0 | 0 | 0 | 117.4 | P1038 | S1036-P1038 WeakPolarHBondContact O-CD 3.34Š| ||
| 1037 | M | 25.7 | Very low | 27.7 | Very low | 117 Ų | 117 | 148.4 Ų | 148.4 | 58% | 0.576 | 76% | 0.763 | S | S | * | * | trans | -95.2 | 103.8 | 139.7 | -90.2 | -158.4 | 76.8 | 0 | 0 | 109.6 | T1039 | M1037-T1039 HydrophobicContact CE-CG2 3.7Å; M1037-T1039 PolarHBondContact O-N 3.18Å | ||
| 1038 | P | 30.2 | Very low | 27.6 | Very low | 120 Ų | 120 | 147.2 Ų | 147.2 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | -81.5 | 90.5 | 162.1 | 32.1 | -30.4 | 0 | 0 | 0 | 109.1 | S1036 T1040 | S1036-P1038 WeakPolarHBondContact O-CD 3.34Å; P1038-T1040 PolarHBondContact O-N 2.93Å | ||
| 1039 | T | 28.4 | Very low | 27.4 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | trans | -80.8 | 108.8 | 160.7 | 50.2 | 0 | 0 | 0 | 0 | 109.4 | M1037 | M1037-T1039 HydrophobicContact CE-CG2 3.7Å; M1037-T1039 PolarHBondContact O-N 3.18Å | ||
| 1040 | T | 28.3 | Very low | 27.6 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | trans | -103 | 129 | 151.9 | 37 | 0 | 0 | 0 | 0 | 108.7 | P1038 | P1038-T1040 PolarHBondContact O-N 2.93Š| ||
| 1041 | P | 30.6 | Very low | 27.3 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -85.4 | 179.4 | -175.8 | 35.2 | -36.7 | 0 | 0 | 0 | 113.2 | ||||
| 1042 | T | 26 | Very low | 27.4 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -55 | 165.8 | 163.6 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1043 | T | 26.8 | Very low | 27.3 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | cis | -160.8 | 172.6 | 43.4 | -24.7 | 0 | 0 | 0 | 0 | 109 | L1045 | T1043-L1045 HydrophobicContact CG2-CD1 4.4Å; T1043-L1045 HydrophobicContact CG2-CG 4.36Å | ||
| 1044 | E | 28.1 | Very low | 27.4 | Very low | 171 Ų | 171 | 143.6 Ų | 143.6 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | -157.2 | 131.4 | 65.2 | -81.6 | -155.3 | 149.4 | 0 | 0 | 111.1 | |||||
| 1045 | L | 26.6 | Very low | 27.4 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | 58.5 | 111.9 | 96.2 | -70.9 | 157.1 | 0 | 0 | 0 | 114.4 | T1043 | T1043-L1045 HydrophobicContact CG2-CD1 4.4Å; T1043-L1045 HydrophobicContact CG2-CG 4.36Å | |||
| 1046 | R | 25.7 | Very low | 27.6 | Very low | 244 Ų | 244 | 136.7 Ų | 136.7 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | -151 | 161 | 70.8 | -110.5 | 172 | 173.5 | 170.5 | -2.3 | 109.8 | |||||
| 1047 | S | 27.3 | Very low | 27.6 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | cis | -148.3 | -163.6 | 17.1 | 64.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1048 | P | 29.5 | Very low | 27.7 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | -121.8 | 164.5 | -113.1 | 28.8 | -6.1 | 0 | 0 | 0 | 118.5 | |||||
| 1049 | I | 27.1 | Very low | 27.5 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | -68.9 | 142 | 170.5 | -73.1 | 161.4 | 0 | 0 | 0 | 110.6 | ||||
| 1050 | P | 30.6 | Very low | 27.4 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | -153.3 | 115.3 | 97.1 | 36.4 | -14.4 | 0 | 0 | 0 | 119.4 | |||||
| 1051 | S | 25.9 | Very low | 27.2 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | 40.6 | 134.8 | 128.1 | 71.3 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 1052 | R | 28 | Very low | 26.9 | Very low | 244 Ų | 244 | 140.1 Ų | 140.1 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | 171.6 | 164.9 | 126 | -93.3 | 170.8 | -177.6 | -156.9 | 2.5 | 110.8 | |||||
| 1053 | K | 26.4 | Very low | 26.7 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | cis | -173.4 | 142.2 | -47.6 | -153.3 | 177.5 | 179.9 | -173.1 | 0 | 109.1 | ||||
| 1054 | F | 26.6 | Very low | 26.6 | Very low | 170 Ų | 170 | 149.2 Ų | 149.2 | 75% | 0.746 | 79% | 0.787 | S | S | * | * | trans | 64.5 | 167.3 | 168.9 | -56.5 | -52 | 0 | 0 | 0 | 116.3 | ||||
| 1055 | V | 26 | Very low | 26.4 | Very low | 140 Ų | 140 | 148.1 Ų | 148.1 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | cis | -164.9 | 152.4 | -23.1 | 135.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1056 | G | 28.7 | Very low | 26.4 | Very low | 59 Ų | 59 | 147.4 Ų | 147.4 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | cis | 167.1 | -179.3 | -4.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1057 | N | 27 | Very low | 26.5 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | 44.2 | 132.2 | 159.5 | -61.2 | 3.1 | 0 | 0 | 0 | 123.3 | ||||
| 1058 | G | 27.7 | Very low | 26.4 | Very low | 77 Ų | 77 | 147.3 Ų | 147.3 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -176.8 | 107.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1059 | F | 27.4 | Very low | 26.3 | Very low | 197 Ų | 197 | 148.9 Ų | 148.9 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -55.6 | 167.1 | 177.6 | -65.1 | -90.7 | 0 | 0 | 0 | 116.3 | ||||
| 1060 | S | 25.8 | Very low | 26.3 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | cis | -171.4 | 171 | -16 | 51.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 1061 | S | 23.8 | Very low | 26.1 | Very low | 106 Ų | 106 | 149.1 Ų | 149.1 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | -55.6 | 159.1 | 174.9 | -178.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1062 | V | 25.1 | Very low | 26.1 | Very low | 142 Ų | 142 | 148.3 Ų | 148.3 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | -162.7 | 165.8 | 130.8 | 137.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1063 | R | 21.1 | Very low | 26.1 | Very low | 213 Ų | 213 | 143 Ų | 143 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -154.1 | 135.1 | -157 | 173.5 | -145.5 | -142.9 | 171.4 | 8.7 | 113.4 | ||||
| 1064 | Y | 24.5 | Very low | 26 | Very low | 209 Ų | 209 | 140.9 Ų | 140.9 | 82% | 0.82 | 76% | 0.758 | S | S | * | * | trans | -156.3 | 142.4 | 154.5 | -80.5 | -75.1 | 0 | 0 | 0 | 107.4 | ||||
| 1065 | Q | 24.3 | Very low | 26 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | cis | 65.9 | 140 | 49.8 | -80.5 | -171.3 | -25.8 | 0 | 0 | 113.5 | ||||
| 1066 | N | 26.9 | Very low | 25.9 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 65% | 0.647 | 74% | 0.744 | S | S | * | * | cis | -162 | -176.6 | 17.5 | -132.4 | 0.2 | 0 | 0 | 0 | 113.9 | ||||
| 1067 | N | 27.4 | Very low | 25.8 | Very low | 145 Ų | 145 | 145 Ų | 145 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | trans | 83.3 | 157.1 | 161 | -58.7 | -14.3 | 0 | 0 | 0 | 120.3 | ||||
| 1068 | R | 25.9 | Very low | 25.6 | Very low | 201 Ų | 201 | 142.2 Ų | 142.2 | 76% | 0.758 | 75% | 0.748 | S | S | * | * | 173.6 | 163.6 | -61.4 | 176.8 | 170.4 | -175.5 | -178.3 | 3.9 | 110.6 | |||||
| 1069 | L | 27.1 | Very low | 25.7 | Very low | 151 Ų | 151 | 148.4 Ų | 148.4 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | 104.6 | 143.7 | 163 | -57.3 | 173.4 | 0 | 0 | 0 | 116 | ||||
| 1070 | D | 25.6 | Very low | 25.7 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 56% | 0.561 | 74% | 0.739 | S | S | * | * | cis | -173.9 | 167.4 | -39.9 | -107.5 | 3.2 | 0 | 0 | 0 | 110 | ||||
| 1071 | L | 27.6 | Very low | 25.7 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 89% | 0.885 | 73% | 0.732 | S | S | * | * | trans | 69.6 | 149.2 | 169.1 | -58.7 | 150 | 0 | 0 | 0 | 117 | ||||
| 1072 | S | 26.2 | Very low | 25.7 | Very low | 88 Ų | 88 | 143.6 Ų | 143.6 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | cis | -164.9 | 179.6 | -21.6 | 61.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1073 | D | 27.2 | Very low | 25.7 | Very low | 131 Ų | 131 | 145.1 Ų | 145.1 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | cis | -145.7 | 159.2 | 7.5 | -93.1 | -59.5 | 0 | 0 | 0 | 107.6 | ||||
| 1074 | C | 24.8 | Very low | 25.8 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | 54.6 | 124 | 75.5 | -53 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1075 | E | 25.4 | Very low | 25.8 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | cis | -162.4 | 176.7 | 38.6 | -94.1 | -157 | -157.1 | 0 | 0 | 111.4 | ||||
| 1076 | S | 24 | Very low | 25.9 | Very low | 69 Ų | 69 | 134.4 Ų | 134.4 | 48% | 0.483 | 72% | 0.719 | S | S | . | * | cis | -171.7 | 171.6 | -23.4 | 57.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1077 | Y | 26.8 | Very low | 25.8 | Very low | 212 Ų | 212 | 135.7 Ų | 135.7 | 83% | 0.831 | 73% | 0.726 | S | S | * | * | trans | 66.2 | 131.8 | 177 | -56.4 | -79.6 | 0 | 0 | 0 | 117.6 | ||||
| 1078 | S | 24 | Very low | 25.8 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | cis | 73.9 | 135 | 34.8 | -146.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1079 | R | 28.2 | Very low | 25.9 | Very low | 207 Ų | 207 | 128.8 Ų | 128.8 | 78% | 0.781 | 72% | 0.72 | S | S | * | * | cis | -165.7 | 171.9 | 47.4 | -148.1 | -170.5 | 165.4 | 131.8 | 1.9 | 112.7 | ||||
| 1080 | D | 27.5 | Very low | 25.8 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | trans | 11.4 | 143.4 | 157.7 | -51.1 | -26.3 | 0 | 0 | 0 | 121.3 | ||||
| 1081 | G | 26 | Very low | 25.8 | Very low | 61 Ų | 61 | 128.7 Ų | 128.7 | 63% | 0.629 | 73% | 0.726 | S | S | * | * | cis | 133.4 | 137.7 | -3.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1082 | S | 24.9 | Very low | 26.3 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 84% | 0.839 | 71% | 0.713 | S | S | * | * | trans | 69 | 157.1 | 163.4 | 85.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1083 | K | 24.7 | Very low | 26.2 | Very low | 175 Ų | 175 | 128.4 Ų | 128.4 | 76% | 0.761 | 72% | 0.717 | S | S | * | * | cis | -169.7 | 143.6 | -7.5 | -123 | 174.5 | 179.9 | 177.1 | 0 | 109 | ||||
| 1084 | L | 22.9 | Very low | 26.2 | Very low | 151 Ų | 151 | 131.9 Ų | 131.9 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | 62.7 | 170.1 | 151 | -57.1 | 166.8 | 0 | 0 | 0 | 116 | ||||
| 1085 | V | 25.3 | Very low | 26.2 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 64% | 0.642 | 71% | 0.712 | S | S | * | * | cis | -148.1 | 120.7 | -12.7 | 106.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1086 | S | 24.6 | Very low | 26.3 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | 74.5 | 168.6 | 92.7 | 94.3 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1087 | N | 25.4 | Very low | 26.3 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | trans | 81.9 | 141.3 | -179 | -45.4 | -13.9 | 0 | 0 | 0 | 112.9 | ||||
| 1088 | S | 28.4 | Very low | 26.4 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | cis | -145.3 | 178.7 | 0.7 | 73 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1089 | S | 27.6 | Very low | 26.4 | Very low | 93 Ų | 93 | 130.7 Ų | 130.7 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | cis | -168.1 | 123.4 | -4.4 | 20.7 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1090 | S | 25.1 | Very low | 26.2 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 66% | 0.664 | 72% | 0.715 | S | S | * | * | 80.4 | 113.6 | 64.4 | 79.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1091 | I | 25.9 | Very low | 26.2 | Very low | 159 Ų | 159 | 125 Ų | 125 | 82% | 0.815 | 72% | 0.721 | S | S | * | * | 93.9 | 145.5 | 95.5 | -83.4 | 175.2 | 0 | 0 | 0 | 112.9 | |||||
| 1092 | P | 37.5 | Very low | 26.3 | Very low | 94 Ų | 94 | 128 Ų | 128 | 61% | 0.61 | 73% | 0.727 | S | S | * | * | cis | -154.5 | -147.1 | -25.7 | 47.2 | -25.6 | 0 | 0 | 0 | 114.7 | ||||
| 1093 | F | 24.5 | Very low | 26.4 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 69% | 0.689 | 72% | 0.719 | S | S | * | * | trans | 101 | 131.2 | 142.1 | -93.7 | -41.7 | 0 | 0 | 0 | 124.3 | ||||
| 1094 | Y | 26.9 | Very low | 26.5 | Very low | 204 Ų | 204 | 128 Ų | 128 | 80% | 0.8 | 72% | 0.72 | S | S | * | * | trans | 56.4 | 148.6 | 159.8 | -63.2 | -66.7 | 0 | 0 | 0 | 120.5 | ||||
| 1095 | G | 24.7 | Very low | 26.4 | Very low | 54 Ų | 54 | 129.3 Ų | 129.3 | 56% | 0.557 | 72% | 0.722 | S | S | * | * | cis | 173.2 | 167.7 | -6.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1096 | Y | 27.9 | Very low | 26.6 | Very low | 217 Ų | 217 | 128.2 Ų | 128.2 | 85% | 0.851 | 72% | 0.717 | S | S | * | * | trans | 67.5 | 139.4 | 178 | -56.6 | -88.7 | 0 | 0 | 0 | 116.9 | ||||
| 1097 | S | 23.1 | Very low | 26.8 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | cis | 98.7 | 153 | 9.8 | -157.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1098 | I | 28.9 | Very low | 26.6 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | trans | 76.1 | 137.9 | 175.4 | -57.4 | 166.8 | 0 | 0 | 0 | 113.9 | ||||
| 1099 | D | 25.2 | Very low | 26.5 | Very low | 133 Ų | 133 | 133 Ų | 133 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | cis | -151.2 | 150.4 | -14.9 | -113.4 | -18.1 | 0 | 0 | 0 | 107.9 | ||||
| 1100 | S | 23.4 | Very low | 26.4 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | 70.3 | 85.7 | 70.3 | -47.7 | 0 | 0 | 0 | 0 | 117 | |||||
| 1101 | S | 27 | Very low | 26.3 | Very low | 120 Ų | 120 | 135 Ų | 135 | 84% | 0.839 | 73% | 0.727 | S | S | * | * | trans | 176 | 154.4 | 148.6 | 39.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1102 | V | 28.5 | Very low | 26.9 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 76% | 0.758 | 71% | 0.708 | S | S | * | * | cis | -160.8 | 153.6 | -36.4 | 86.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1103 | L | 27.6 | Very low | 26.4 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 67% | 0.67 | 72% | 0.715 | S | S | * | * | trans | 63.5 | 129.2 | 164 | -65.4 | 171 | 0 | 0 | 0 | 121.3 | ||||
| 1104 | Q | 26.1 | Very low | 26.4 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 77% | 0.771 | 72% | 0.719 | S | S | * | * | trans | 61.3 | 126 | 131.5 | -69.8 | 174.5 | -14.9 | 0 | 0 | 119.5 | ||||
| 1105 | Q | 21.9 | Very low | 26.4 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 84% | 0.836 | 72% | 0.716 | S | S | * | * | cis | 47.3 | 123.4 | 23 | -89 | -155.6 | 18.6 | 0 | 0 | 114.9 | ||||
| 1106 | P | 28.7 | Very low | 26.5 | Very low | 83 Ų | 83 | 138.1 Ų | 138.1 | 54% | 0.539 | 73% | 0.728 | S | S | . | * | -153.6 | -177.2 | 59.4 | 39.6 | -18.6 | 0 | 0 | 0 | 116.8 | |||||
| 1107 | Y | 28.2 | Very low | 26.7 | Very low | 211 Ų | 211 | 132.9 Ų | 132.9 | 83% | 0.827 | 72% | 0.721 | S | S | * | * | trans | 57.5 | 122.5 | 160.9 | -47.8 | -49.2 | 0 | 0 | 0 | 118.9 | ||||
| 1108 | S | 22.6 | Very low | 26.9 | Very low | 88 Ų | 88 | 136.4 Ų | 136.4 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | cis | 111.8 | 146 | 15 | 71.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1109 | I | 25.1 | Very low | 27.3 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | trans | 95.3 | 136.8 | 160.4 | -57.1 | 159.6 | 0 | 0 | 0 | 117.4 | ||||
| 1110 | T | 25.7 | Very low | 27.7 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | trans | 65.2 | 119 | 165.5 | 40.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1111 | S | 22.8 | Very low | 28 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | trans | -82.8 | -179.2 | 140.4 | 60.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1112 | P | 38.3 | Very low | 28.1 | Very low | 66 Ų | 66 | 137.5 Ų | 137.5 | 43% | 0.429 | 72% | 0.717 | S | S | . | * | cis | -135.6 | 174.4 | -1.9 | 41.6 | -23.4 | 0 | 0 | 0 | 116.7 | S1336 | P1112-S1336 WeakPolarHBondContact CD-O 3.43Š| ||
| 1113 | T | 26.6 | Very low | 28.2 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | trans | 4.8 | 122.2 | 155.9 | 60.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 1114 | K | 25.1 | Very low | 28.2 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 77% | 0.774 | 73% | 0.729 | S | S | * | * | 176 | 148.9 | 105.3 | -103.8 | -178.4 | 162.9 | -160.7 | 0 | 115.9 | |||||
| 1115 | H | 26.3 | Very low | 28.3 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | trans | 48.6 | 132.9 | 156.2 | -60.5 | -66.9 | 0 | 0 | 0 | 124.4 | ||||
| 1116 | Y | 28.5 | Very low | 28.7 | Very low | 211 Ų | 211 | 132.9 Ų | 132.9 | 83% | 0.827 | 72% | 0.721 | S | S | * | * | trans | -40.2 | 164.2 | 145.8 | -67.9 | -95.1 | 0 | 0 | 0 | 114.5 | ||||
| 1117 | P | 30.9 | Very low | 28.8 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | cis | -148.9 | 158 | 30.7 | 40.4 | -19.4 | 0 | 0 | 0 | 121 | ||||
| 1118 | H | 26.9 | Very low | 28.6 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 82% | 0.819 | 73% | 0.728 | S | S | * | * | trans | 56.9 | 160.6 | 144.4 | -77.7 | -80 | 0 | 0 | 0 | 123.7 | ||||
| 1119 | P | 38 | Very low | 28.8 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 61% | 0.61 | 73% | 0.73 | S | S | * | * | trans | -123.4 | 176.5 | -161.4 | 44.9 | -33.4 | 0 | 0 | 0 | 116.7 | ||||
| 1120 | P | 34 | Very low | 28.8 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -111.4 | 145.8 | 141 | 2.2 | 19.9 | 0 | 0 | 0 | 111.1 | ||||
| 1121 | H | 29.6 | Very low | 28.8 | Very low | 153 Ų | 153 | 137 Ų | 137 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | 66.8 | 135.4 | 60.5 | -63.5 | -64.4 | 0 | 0 | 0 | 113.4 | |||||
| 1122 | H | 28.6 | Very low | 29.1 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | cis | -163.3 | -166.9 | -4.5 | -127.5 | -21.6 | 0 | 0 | 0 | 113.3 | ||||
| 1123 | H | 31 | Very low | 28.3 | Very low | 187 Ų | 187 | 144.7 Ų | 144.7 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | trans | 83.5 | 120.2 | 177.4 | -52.1 | -72.5 | 0 | 0 | 0 | 116.3 | ||||
| 1124 | G | 27.7 | Very low | 28.6 | Very low | 79 Ų | 79 | 144.3 Ų | 144.3 | 81% | 0.814 | 75% | 0.749 | S | S | * | * | cis | -171.3 | 164.1 | -8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1125 | G | 27.3 | Very low | 28.7 | Very low | 62 Ų | 62 | 139.2 Ų | 139.2 | 64% | 0.639 | 74% | 0.74 | S | S | * | * | cis | 179.9 | -178.2 | -1.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1126 | H | 30.5 | Very low | 28.8 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | trans | 64.8 | 146.3 | 173.8 | -49 | -66.3 | 0 | 0 | 0 | 117 | ||||
| 1127 | H | 31 | Very low | 28.9 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | cis | -149.8 | 173.6 | -22 | -118.8 | -47.2 | 0 | 0 | 0 | 110.2 | ||||
| 1128 | Q | 24.6 | Very low | 28.9 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | trans | -104.5 | 164.9 | 179.7 | -66.6 | 178.4 | -40.6 | 0 | 0 | 112.3 | ||||
| 1129 | N | 26.5 | Very low | 29 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | trans | 71.3 | 121.7 | 146.6 | -66.7 | -7.7 | 0 | 0 | 0 | 121.5 | ||||
| 1130 | N | 24.2 | Very low | 28.6 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | 77 | 133.9 | 128.7 | -66.1 | 1.9 | 0 | 0 | 0 | 122.8 | |||||
| 1131 | H | 25.8 | Very low | 28.3 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 75% | 0.75 | 73% | 0.733 | S | S | * | * | trans | 73.2 | 158.5 | 154.4 | -67.2 | -60.6 | 0 | 0 | 0 | 120.2 | ||||
| 1132 | Y | 28.9 | Very low | 28.3 | Very low | 211 Ų | 211 | 141.1 Ų | 141.1 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | trans | 58.1 | 88.4 | 171.5 | -67.6 | -72.5 | 0 | 0 | 0 | 119.1 | ||||
| 1133 | C | 23.1 | Very low | 28.1 | Very low | 116 Ų | 116 | 139 Ų | 139 | 78% | 0.784 | 73% | 0.733 | S | S | * | * | trans | -57 | 148.9 | 138.9 | -157 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1134 | P | 32 | Very low | 27.8 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | -146.7 | 150.5 | 98 | 38.1 | -23 | 0 | 0 | 0 | 117.3 | |||||
| 1135 | A | 27.7 | Very low | 27.7 | Very low | 71 Ų | 71 | 139.5 Ų | 139.5 | 59% | 0.587 | 72% | 0.722 | S | S | * | * | trans | 70.4 | 111.5 | 137.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1136 | K | 28.9 | Very low | 28.5 | Very low | 188 Ų | 188 | 144.4 Ų | 144.4 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | trans | 74.4 | 133.7 | 140.8 | -60.8 | 171.7 | -177.3 | 177.5 | 0 | 116.7 | ||||
| 1137 | K | 29.9 | Very low | 28.5 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 79% | 0.787 | 73% | 0.729 | S | S | * | * | cis | -122.6 | 123.9 | 10.8 | -65.7 | -172.6 | 177.7 | 177.7 | 0 | 110 | ||||
| 1138 | Q | 29.9 | Very low | 28.2 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | 69.5 | 134.3 | 92.1 | -64 | 168.4 | -87.8 | 0 | 0 | 113.7 | |||||
| 1139 | Q | 30.1 | Very low | 28.4 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 61% | 0.607 | 73% | 0.725 | S | S | * | * | cis | -165.5 | 150.4 | -1.5 | -121 | 166 | -74.1 | 0 | 0 | 111.5 | ||||
| 1140 | Q | 30 | Very low | 28.5 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | trans | 39.4 | 153.3 | 134.6 | -75.5 | 168.4 | -25.7 | 0 | 0 | 122.7 | ||||
| 1141 | N | 27.7 | Very low | 28.8 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 69% | 0.69 | 73% | 0.732 | S | S | * | * | cis | -169.9 | 156.9 | -23.9 | -137.7 | 6.1 | 0 | 0 | 0 | 110.2 | ||||
| 1142 | I | 28.4 | Very low | 28.9 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | trans | 50.9 | 120 | 155.6 | -56.3 | 162.6 | 0 | 0 | 0 | 120.1 | ||||
| 1143 | S | 24.5 | Very low | 29 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | 176.2 | 156.2 | 129 | 41.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1144 | S | 25 | Very low | 29.2 | Very low | 84 Ų | 84 | 135.2 Ų | 135.2 | 59% | 0.587 | 73% | 0.728 | S | S | * | * | trans | 30.9 | 135.7 | 150.3 | 58.8 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1145 | F | 26 | Very low | 29 | Very low | 193 Ų | 193 | 136.4 Ų | 136.4 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | trans | 64.1 | 146.4 | 144.4 | -90.3 | -100.3 | 0 | 0 | 0 | 121 | H1147 | F1145-H1147 PolarHBondContact O-N 2.74Š| ||
| 1146 | N | 44.2 | Very low | 29.3 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 88% | 0.882 | 74% | 0.737 | S | S | * | * | trans | -66 | 118.3 | 168.2 | -74.5 | -26.1 | 0 | 0 | 0 | 109.7 | ||||
| 1147 | H | 31.1 | Very low | 29.7 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 70% | 0.704 | 73% | 0.733 | S | S | * | * | trans | -108.6 | 110.3 | -178.7 | -102.2 | -64.7 | 0 | 0 | 0 | 113.9 | F1145 | F1145-H1147 PolarHBondContact O-N 2.74Š| ||
| 1148 | S | 23.9 | Very low | 30.2 | Very low | 91 Ų | 91 | 133 Ų | 133 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | -65.6 | 118.9 | 122.8 | 50.2 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1149 | Q | 28.1 | Very low | 30.1 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | 38 | 136.1 | 126.6 | -59.8 | 158.9 | -10.7 | 0 | 0 | 119 | |||||
| 1150 | S | 29.4 | Very low | 30.2 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | cis | -177.6 | 148.1 | -6.2 | 48 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1151 | L | 30.5 | Very low | 30.2 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | 84.5 | 139.5 | 152.7 | -68.7 | 157.4 | 0 | 0 | 0 | 122.7 | ||||
| 1152 | D | 28.6 | Very low | 30.4 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | trans | 93.7 | 93.5 | 152.2 | -60 | -9.6 | 0 | 0 | 0 | 125.7 | ||||
| 1153 | A | 29.2 | Very low | 30.3 | Very low | 87 Ų | 87 | 136 Ų | 136 | 72% | 0.719 | 74% | 0.744 | S | S | * | * | 75.9 | 99.9 | 125.7 | 0 | 0 | 0 | 0 | 0 | 126.7 | |||||
| 1154 | N | 29.1 | Very low | 31.1 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | 59 | 115 | 126.2 | -59.4 | -14.7 | 0 | 0 | 0 | 125.6 | |||||
| 1155 | N | 27.8 | Very low | 31 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | 164 | 112.1 | 109.2 | -85.1 | -30.1 | 0 | 0 | 0 | 117.6 | |||||
| 1156 | I | 33.3 | Very low | 30.9 | Very low | 150 Ų | 150 | 137 Ų | 137 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | 56.7 | 141 | 122.6 | -68.3 | 169.4 | 0 | 0 | 0 | 121.5 | |||||
| 1157 | P | 36.3 | Very low | 30 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | cis | -137.6 | -153.5 | -22.2 | 40 | -15.8 | 0 | 0 | 0 | 114.3 | ||||
| 1158 | P | 40.5 | Very low | 30.1 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | -134.3 | 174.9 | -84.8 | 44.6 | -27.1 | 0 | 0 | 0 | 120 | |||||
| 1159 | D | 27.6 | Very low | 30.1 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | trans | 75.3 | 165.4 | 152.7 | -81.9 | -53 | 0 | 0 | 0 | 121 | ||||
| 1160 | Y | 32.3 | Very low | 30 | Very low | 192 Ų | 192 | 142.2 Ų | 142.2 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | cis | -154.5 | 143.5 | 8.6 | -126.7 | -44.1 | 0 | 0 | 0 | 115.3 | ||||
| 1161 | T | 31 | Very low | 29.9 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 64% | 0.644 | 76% | 0.764 | S | S | * | * | trans | 56.7 | 122 | 151.3 | 35 | 0 | 0 | 0 | 0 | 127.8 | ||||
| 1162 | N | 30.8 | Very low | 29.7 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | 101.8 | 160.1 | 133.2 | -68.3 | -12.5 | 0 | 0 | 0 | 124 | ||||
| 1163 | H | 27.9 | Very low | 29.7 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | trans | -148.7 | 175.3 | -147.3 | -96.5 | -58.6 | 0 | 0 | 0 | 111.8 | ||||
| 1164 | P | 39.5 | Very low | 29.6 | Very low | 101 Ų | 101 | 143.4 Ų | 143.4 | 66% | 0.656 | 75% | 0.751 | S | S | * | * | cis | -136.6 | -174.6 | -23.9 | 39.4 | -20.8 | 0 | 0 | 0 | 115.3 | ||||
| 1165 | L | 23.8 | Very low | 29.5 | Very low | 156 Ų | 156 | 142 Ų | 142 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | trans | 64.2 | 103.3 | 159.9 | -73.7 | 168.8 | 0 | 0 | 0 | 120.6 | ||||
| 1166 | T | 24.2 | Very low | 29.4 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 91% | 0.914 | 75% | 0.75 | S | S | * | * | 176.5 | -151.9 | 118 | 36.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1167 | K | 26.1 | Very low | 29.1 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 88% | 0.878 | 75% | 0.745 | S | S | * | * | trans | -76.4 | 163.2 | -161.6 | -74.4 | 174.2 | 178.5 | 172.4 | 0 | 114.4 | ||||
| 1168 | P | 31.4 | Very low | 28.6 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | trans | -98.6 | 179.3 | -170.3 | 39.6 | -37.2 | 0 | 0 | 0 | 115.7 | ||||
| 1169 | F | 23.8 | Very low | 28 | Very low | 196 Ų | 196 | 144.9 Ų | 144.9 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | trans | 93.9 | 106.8 | 174.5 | -73.5 | -80.6 | 0 | 0 | 0 | 118 | ||||
| 1170 | H | 26.2 | Very low | 28 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | trans | 171.1 | 148.7 | 145 | -107.5 | -113.2 | 0 | 0 | 0 | 106.6 | ||||
| 1171 | V | 28.3 | Very low | 27.7 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 62% | 0.624 | 75% | 0.754 | S | S | * | * | cis | -170.8 | 162.6 | -14.4 | 74.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1172 | L | 26.4 | Very low | 27.3 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | trans | 64.3 | 163.1 | 161.6 | -77.6 | 161.8 | 0 | 0 | 0 | 117.7 | ||||
| 1173 | E | 27.7 | Very low | 27 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | cis | -128.2 | 148 | 14.6 | -80.6 | -168.5 | 102.6 | 0 | 0 | 115.3 | ||||
| 1174 | N | 26.7 | Very low | 26.8 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 60% | 0.604 | 76% | 0.756 | S | S | * | * | trans | 44.1 | 148.3 | 130 | -47.9 | -29.1 | 0 | 0 | 0 | 121.3 | ||||
| 1175 | T | 27.7 | Very low | 26 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | cis | -145 | 148.9 | 20.9 | 34 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1176 | F | 26.4 | Very low | 25.9 | Very low | 179 Ų | 179 | 145.4 Ų | 145.4 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 41.5 | 145.3 | 143.5 | -72 | -105.8 | 0 | 0 | 0 | 122.1 | ||||
| 1177 | E | 26.4 | Very low | 25.8 | Very low | 143 Ų | 143 | 145 Ų | 145 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | cis | 176.7 | 154.9 | -20.8 | -114.6 | -153.1 | 137.9 | 0 | 0 | 105.6 | ||||
| 1178 | L | 26.4 | Very low | 25.7 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | cis | -126 | -165.5 | -7.7 | -61 | 95.9 | 0 | 0 | 0 | 107.3 | ||||
| 1179 | T | 28.5 | Very low | 25.2 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | cis | -151.5 | 165.9 | 3.1 | -26.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 1180 | N | 27.1 | Very low | 25.2 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | trans | -93.6 | 147 | -176.9 | -57.4 | -57.6 | 0 | 0 | 0 | 112.9 | ||||
| 1181 | V | 26.1 | Very low | 25 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | cis | 85.3 | 154.5 | 18.7 | -168 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1182 | S | 23.2 | Very low | 24.9 | Very low | 98 Ų | 98 | 143.2 Ų | 143.2 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | trans | -145.8 | 162.3 | -144.5 | 66 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1183 | N | 23.2 | Very low | 24.7 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 78% | 0.781 | 73% | 0.725 | S | S | * | * | trans | 62 | 106.1 | 156.4 | -76.7 | -34 | 0 | 0 | 0 | 122.9 | ||||
| 1184 | K | 24.6 | Very low | 24.7 | Very low | 190 Ų | 190 | 138.7 Ų | 138.7 | 83% | 0.826 | 71% | 0.711 | S | S | * | * | trans | 34.2 | 128.2 | 135.7 | -69.2 | -178.6 | 175 | 176.1 | 0 | 122.7 | ||||
| 1185 | L | 21.7 | Very low | 24.7 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 80% | 0.801 | 71% | 0.714 | S | S | * | * | -165.8 | 131.3 | 124.7 | -119.8 | 73 | 0 | 0 | 0 | 108.8 | |||||
| 1186 | I | 22.8 | Very low | 24.7 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 72% | 0.718 | 72% | 0.715 | S | S | * | * | 62.5 | 124.6 | 93.1 | -60.7 | -171.6 | 0 | 0 | 0 | 113 | |||||
| 1187 | L | 21.7 | Very low | 24.8 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 73% | 0.728 | 71% | 0.714 | S | S | * | * | -169.3 | 165.9 | 50.6 | -128 | 154.4 | 0 | 0 | 0 | 113.7 | |||||
| 1188 | F | 23.3 | Very low | 24.8 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 83% | 0.829 | 72% | 0.715 | S | S | * | * | trans | 74.9 | -176.5 | 152.3 | -96 | -39.6 | 0 | 0 | 0 | 124.5 | ||||
| 1189 | K | 21 | Very low | 24.7 | Very low | 180 Ų | 180 | 136.7 Ų | 136.7 | 78% | 0.783 | 71% | 0.714 | S | S | * | * | trans | -165.2 | 172.5 | -149.8 | -86.4 | -167.1 | 168 | -175.4 | 0 | 110.4 | ||||
| 1190 | T | 23.4 | Very low | 24.4 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 66% | 0.663 | 71% | 0.712 | S | S | * | * | cis | -169.3 | 145.7 | -10.1 | 22.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1191 | K | 23.6 | Very low | 24.3 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 74% | 0.735 | 71% | 0.708 | S | S | * | * | trans | 59.4 | 161.8 | 148.7 | -84.5 | -172.3 | 166.8 | -120.5 | 0 | 119.6 | D1193 | K1191-D1193 WeakPolarHBondContact CD-OD2 3.46Å; K1191-D1193 WeakPolarHBondContact CE-OD2 3.4Å; K1191-D1193 IonicContact NZ-OD2 3.63Å; K1191-D1193 PolarHBondContact NZ-OD2 2.76Å | ||
| 1192 | V | 25.2 | Very low | 24.2 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 67% | 0.667 | 71% | 0.705 | S | S | * | * | cis | -137.6 | 173.2 | 15.7 | 135.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1193 | D | 23.1 | Very low | 24.2 | Very low | 82 Ų | 82 | 142 Ų | 142 | 44% | 0.439 | 71% | 0.714 | S | S | . | * | -179.5 | 93.7 | -56.7 | -75.5 | -16.7 | 0 | 0 | 0 | 109.3 | K1191 | K1191-D1193 WeakPolarHBondContact CD-OD2 3.46Å; K1191-D1193 WeakPolarHBondContact CE-OD2 3.4Å; K1191-D1193 IonicContact NZ-OD2 3.63Å; K1191-D1193 PolarHBondContact NZ-OD2 2.76Å | |||
| 1194 | Y | 27.3 | Very low | 24.2 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 48% | 0.478 | 71% | 0.709 | S | S | . | * | trans | -155.2 | 145 | 173.9 | -80 | -60.6 | 0 | 0 | 0 | 110.9 | Q1262 V1264 | Y1194-Q1262 HydrophobicContact CE1-CB 4.34Å; Y1194-V1264 HydrophobicContact CE1-CG2 4.3Å; Y1194-V1264 HydrophobicContact CE2-CG2 4.46Å | ||
| 1195 | S | 25.9 | Very low | 24.2 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 66% | 0.657 | 70% | 0.701 | S | S | * | * | cis | 154.6 | 147 | -15.4 | 52.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1196 | S | 27.1 | Very low | 24.3 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 70% | 0.697 | S | S | * | * | cis | -175.4 | -179.8 | -9.4 | 48 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1197 | Q | 28.4 | Very low | 24.4 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 77% | 0.771 | 71% | 0.705 | S | S | * | * | trans | 83.1 | 140.6 | -172.4 | -53.1 | -173.7 | -3.9 | 0 | 0 | 113.8 | ||||
| 1198 | H | 28.1 | Very low | 24.5 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | cis | -168.9 | 162.7 | -13.9 | -95.1 | -26.2 | 0 | 0 | 0 | 106.8 | ||||
| 1199 | L | 23.8 | Very low | 24.8 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 67% | 0.665 | 70% | 0.7 | S | S | * | * | cis | -161.1 | 149.5 | -7 | -123.5 | 167.4 | 0 | 0 | 0 | 111.1 | ||||
| 1200 | T | 22.4 | Very low | 24.9 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 66% | 0.663 | 70% | 0.703 | S | S | * | * | trans | 64.4 | 143.7 | 156.2 | 28.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 1201 | N | 23.9 | Very low | 25.1 | Very low | 138 Ų | 138 | 133 Ų | 133 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | trans | 78.7 | 131.7 | 146.6 | -66.5 | -17.7 | 0 | 0 | 0 | 122 | ||||
| 1202 | I | 24.1 | Very low | 25.1 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 75% | 0.754 | 71% | 0.714 | S | S | * | * | trans | 67.2 | 123 | 163.5 | -57.9 | 159.3 | 0 | 0 | 0 | 114 | ||||
| 1203 | Y | 24 | Very low | 25.2 | Very low | 220 Ų | 220 | 135.9 Ų | 135.9 | 86% | 0.863 | 72% | 0.721 | S | S | * | * | cis | -113.6 | 133.2 | 17.4 | -100.6 | -88.3 | 0 | 0 | 0 | 114.4 | ||||
| 1204 | S | 23.2 | Very low | 25.3 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | trans | -88.2 | 172.5 | 150.3 | 58.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1205 | S | 23.9 | Very low | 25.3 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | trans | -15.1 | 145.9 | 134.5 | -150.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1206 | I | 24.7 | Very low | 25.2 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | cis | -149 | 137.3 | 47.6 | -65.8 | 156.6 | 0 | 0 | 0 | 111.9 | S1208 | I1206-S1208 WeakPolarHBondContact CG2-OG 3.21Š| ||
| 1207 | S | 23.4 | Very low | 25.4 | Very low | 128 Ų | 128 | 145 Ų | 145 | 90% | 0.895 | 76% | 0.755 | S | S | * | * | trans | -131.7 | 103.7 | 145.1 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1208 | S | 25.6 | Very low | 25.5 | Very low | 83 Ų | 83 | 145.8 Ų | 145.8 | 58% | 0.58 | 76% | 0.759 | S | S | * | * | trans | -147.1 | 147.1 | 179.8 | 76.2 | 0 | 0 | 0 | 0 | 110.1 | I1206 | I1206-S1208 WeakPolarHBondContact CG2-OG 3.21Š| ||
| 1209 | K | 27.8 | Very low | 25.7 | Very low | 197 Ų | 197 | 148.1 Ų | 148.1 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | trans | 71.8 | 85.8 | 174 | -56.8 | 179.8 | -180 | 178.3 | 0 | 115.8 | ||||
| 1210 | L | 24.9 | Very low | 25.9 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | -54 | 150.2 | 140.6 | -96.4 | 160.1 | 0 | 0 | 0 | 110.7 | ||||
| 1211 | L | 25.9 | Very low | 26.2 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | 59.5 | 110 | 172.3 | -88.7 | 64.2 | 0 | 0 | 0 | 118.4 | ||||
| 1212 | K | 23.9 | Very low | 26.4 | Very low | 189 Ų | 189 | 151.6 Ų | 151.6 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -85 | 174.9 | 145 | -80.7 | -179.1 | 175 | 175.9 | 0 | 109.9 | ||||
| 1213 | N | 28.1 | Very low | 26.5 | Very low | 151 Ų | 151 | 152 Ų | 152 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | trans | 80.1 | 128.3 | -176.8 | -50.6 | -32.8 | 0 | 0 | 0 | 111.6 | ||||
| 1214 | L | 23.9 | Very low | 26.7 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | cis | -133.1 | 168 | 17.5 | -67.4 | 165.3 | 0 | 0 | 0 | 109.8 | ||||
| 1215 | K | 27.3 | Very low | 27.1 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 70% | 0.7 | 77% | 0.765 | S | S | * | * | cis | -160.7 | 140.9 | 12.4 | -134.5 | 156 | -169.5 | 174 | 0 | 112.1 | ||||
| 1216 | Q | 25.3 | Very low | 27.3 | Very low | 167 Ų | 167 | 149 Ų | 149 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | trans | 27.9 | 138.8 | 144.3 | -65.7 | 172.7 | -36.4 | 0 | 0 | 124.2 | ||||
| 1217 | P | 30.4 | Very low | 27.7 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -88.9 | -176.5 | 155.5 | 38.3 | -34.1 | 0 | 0 | 0 | 113.3 | ||||
| 1218 | H | 31.8 | Very low | 28.1 | Very low | 181 Ų | 181 | 148.8 Ų | 148.8 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | -88.2 | 138.1 | -166.7 | -77 | -104.4 | 0 | 0 | 0 | 117.5 | ||||
| 1219 | Y | 31.2 | Very low | 28.4 | Very low | 198 Ų | 198 | 150.6 Ų | 150.6 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | 14.5 | 142.2 | 138.6 | -73.9 | -102.8 | 0 | 0 | 0 | 121.8 | ||||
| 1220 | F | 29.3 | Very low | 28.6 | Very low | 168 Ų | 168 | 147.2 Ų | 147.2 | 74% | 0.737 | 74% | 0.743 | S | S | * | * | cis | -173.9 | 154.9 | -14.2 | -144.3 | -99.1 | 0 | 0 | 0 | 112.1 | ||||
| 1221 | S | 27.2 | Very low | 28.9 | Very low | 101 Ų | 101 | 145.3 Ų | 145.3 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | 69.5 | 148.4 | 164.5 | 76.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1222 | K | 28.3 | Very low | 29 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | cis | -162.1 | 147.5 | -3.7 | -126.7 | 176.2 | 179.8 | -179.3 | 0 | 112 | ||||
| 1223 | L | 27.4 | Very low | 29.1 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | trans | 58.1 | 127.6 | 155.5 | -65.5 | 159.3 | 0 | 0 | 0 | 117.8 | ||||
| 1224 | S | 28.1 | Very low | 29 | Very low | 97 Ų | 97 | 138.7 Ų | 138.7 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | cis | 178.6 | 165.4 | 37.4 | 47.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1225 | N | 29.9 | Very low | 29 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 72% | 0.717 | 72% | 0.721 | S | S | * | * | trans | 77.2 | 100.1 | 156.1 | -64.1 | 5 | 0 | 0 | 0 | 122.8 | ||||
| 1226 | N | 29.8 | Very low | 28.9 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 64% | 0.642 | 72% | 0.724 | S | S | * | * | 88.2 | 122.1 | 118.5 | -65.3 | 10.5 | 0 | 0 | 0 | 123.8 | |||||
| 1227 | H | 32.4 | Very low | 28.9 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 71% | 0.708 | 72% | 0.716 | S | S | * | * | trans | 70.1 | 141.3 | 141.2 | -59.9 | -39.8 | 0 | 0 | 0 | 121 | ||||
| 1228 | N | 31.6 | Very low | 28.6 | Very low | 109 Ų | 109 | 135 Ų | 135 | 58% | 0.583 | 72% | 0.717 | S | S | * | * | cis | -164.8 | 159.9 | -17.9 | -116.2 | 28.5 | 0 | 0 | 0 | 110 | ||||
| 1229 | D | 31.7 | Very low | 28.3 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 65% | 0.647 | 71% | 0.709 | S | S | * | * | trans | 47.8 | 149.9 | 139.6 | -42.9 | -11.4 | 0 | 0 | 0 | 121.5 | ||||
| 1230 | D | 31.8 | Very low | 28.1 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | cis | -162.6 | 149.9 | -9.2 | -117.4 | -7.8 | 0 | 0 | 0 | 113.7 | ||||
| 1231 | N | 30.9 | Very low | 28.1 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 65% | 0.652 | 71% | 0.709 | S | S | * | * | trans | 39.5 | 133.1 | 142.3 | -52.4 | -35.9 | 0 | 0 | 0 | 126.6 | ||||
| 1232 | D | 28.2 | Very low | 28.2 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | 68.1 | 99.3 | 129.1 | -67.9 | -19.4 | 0 | 0 | 0 | 126.4 | |||||
| 1233 | S | 25.8 | Very low | 28.1 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | 95 | 146.6 | 107.4 | 84.4 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1234 | T | 26.5 | Very low | 28.3 | Very low | 119 Ų | 119 | 124.2 Ų | 124.2 | 73% | 0.73 | 69% | 0.694 | S | S | * | * | trans | 79.8 | 127 | 155 | 59.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1235 | L | 24.5 | Very low | 28.3 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 76% | 0.764 | 70% | 0.7 | S | S | * | * | trans | 72.9 | 132.2 | 136.4 | -69.4 | 166.4 | 0 | 0 | 0 | 123.9 | ||||
| 1236 | T | 25.9 | Very low | 28.2 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 77% | 0.767 | 70% | 0.696 | S | S | * | * | trans | 65.3 | 158 | 145 | 49.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1237 | S | 24.4 | Very low | 28.3 | Very low | 87 Ų | 87 | 130 Ų | 130 | 61% | 0.608 | 70% | 0.703 | S | S | * | * | cis | -178.8 | 152.4 | -31 | 57.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1238 | L | 23.4 | Very low | 28.2 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 84% | 0.843 | 71% | 0.706 | S | S | * | * | trans | 63.7 | 167.3 | 164 | -71.7 | 149.4 | 0 | 0 | 0 | 115 | ||||
| 1239 | S | 25.9 | Very low | 28.4 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | cis | -160.1 | 145.2 | -13.7 | 39.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1240 | T | 26.8 | Very low | 28.4 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 73% | 0.73 | 73% | 0.728 | S | S | * | * | trans | 26.8 | 140.8 | 133.1 | -30.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1241 | I | 30 | Very low | 28.5 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | 172.7 | 123.9 | 129.6 | -90.2 | 157.9 | 0 | 0 | 0 | 113.6 | |||||
| 1242 | N | 28 | Very low | 28.4 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 65% | 0.647 | 74% | 0.74 | S | S | * | * | trans | 31 | 159.5 | 138.7 | -61.4 | 46.6 | 0 | 0 | 0 | 123.2 | ||||
| 1243 | D | 27.9 | Very low | 28.5 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 61% | 0.61 | 74% | 0.744 | S | S | * | * | cis | -163.1 | 158 | -0.4 | -117.8 | -30.4 | 0 | 0 | 0 | 114.4 | ||||
| 1244 | Q | 30.3 | Very low | 28.9 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | 59.7 | 130.7 | 144.5 | -63.5 | 170.9 | 35.1 | 0 | 0 | 126.4 | ||||
| 1245 | F | 29.7 | Very low | 28.9 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | trans | 24 | 155 | 137.5 | -60 | -85.5 | 0 | 0 | 0 | 123.2 | ||||
| 1246 | D | 27.6 | Very low | 29.2 | Very low | 120 Ų | 120 | 130 Ų | 130 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | cis | -161.4 | 173.8 | 9.9 | -138 | -36 | 0 | 0 | 0 | 115.3 | ||||
| 1247 | H | 31.5 | Very low | 29.4 | Very low | 168 Ų | 168 | 131 Ų | 131 | 78% | 0.778 | 75% | 0.749 | S | S | * | * | trans | 62.5 | 116.1 | 151.9 | -68.9 | 5.8 | 0 | 0 | 0 | 124.6 | ||||
| 1248 | G | 29.8 | Very low | 29.7 | Very low | 76 Ų | 76 | 134.1 Ų | 134.1 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | 109.9 | 146 | 103.4 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1249 | V | 36.1 | Very low | 29.6 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 90% | 0.897 | 75% | 0.754 | S | S | * | * | trans | 96.3 | 146.3 | 157.4 | -171.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1250 | D | 31 | Very low | 29.5 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | -103.2 | 156.6 | -157.5 | -42.4 | -97.7 | 0 | 0 | 0 | 117.2 | ||||
| 1251 | D | 33.8 | Very low | 29.5 | Very low | 173 Ų | 173 | 138 Ų | 138 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | -178.7 | 164.3 | 119 | -114.5 | -30.2 | 0 | 0 | 0 | 110.5 | |||||
| 1252 | G | 28.9 | Very low | 29.2 | Very low | 62 Ų | 62 | 137 Ų | 137 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | trans | -161.9 | -178.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1253 | T | 31.5 | Very low | 29.1 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | -168.3 | 147.7 | 168.7 | -0.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 1254 | T | 32.5 | Very low | 29.1 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | trans | 57.3 | 104.4 | 158.2 | 49.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1255 | D | 27.4 | Very low | 29 | Very low | 149 Ų | 149 | 133.5 Ų | 133.5 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | 37.9 | 134.1 | 122.9 | -46.7 | -28.5 | 0 | 0 | 0 | 120.2 | |||||
| 1256 | V | 31.8 | Very low | 28.7 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | cis | -150.4 | 134 | 38.2 | 169.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1257 | L | 29.8 | Very low | 28.6 | Very low | 148 Ų | 148 | 132 Ų | 132 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | 15.3 | 142.3 | 142.7 | -45.4 | 174.4 | 0 | 0 | 0 | 120.4 | ||||
| 1258 | L | 29.6 | Very low | 28.4 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | cis | -171.3 | 139.4 | -4.5 | -122 | 173.7 | 0 | 0 | 0 | 110.2 | ||||
| 1259 | Q | 21.9 | Very low | 28 | Very low | 163 Ų | 163 | 136.6 Ų | 136.6 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | -155.5 | 116.6 | 156.1 | -164.5 | 167.3 | -13 | 0 | 0 | 114.1 | ||||
| 1260 | E | 24.5 | Very low | 27.6 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | 63.3 | 150.9 | 152.3 | -65.8 | 178.2 | 120 | 0 | 0 | 124.8 | ||||
| 1261 | H | 25.3 | Very low | 27.2 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | trans | 79.4 | 93.1 | 159.1 | -71.1 | -65.7 | 0 | 0 | 0 | 124.9 | ||||
| 1262 | Q | 24.8 | Very low | 27.2 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 62% | 0.617 | 74% | 0.741 | S | S | * | * | 50.1 | 117 | 123.4 | -66.7 | 177.4 | -79.3 | 0 | 0 | 123.9 | Y1194 | Y1194-Q1262 HydrophobicContact CE1-CB 4.34Š| |||
| 1263 | A | 26 | Very low | 27 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | trans | -163.3 | 159.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1264 | V | 26.5 | Very low | 26.6 | Very low | 118 Ų | 118 | 133 Ų | 133 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | cis | -155.1 | -173 | -18.4 | 125.1 | 0 | 0 | 0 | 0 | 109.5 | Y1194 | Y1194-V1264 HydrophobicContact CE1-CG2 4.3Å; Y1194-V1264 HydrophobicContact CE2-CG2 4.46Å | ||
| 1265 | V | 28.6 | Very low | 26.3 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 63% | 0.63 | 75% | 0.745 | S | S | * | * | trans | -85.3 | 144.7 | -166.8 | 168.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1266 | T | 24.7 | Very low | 26.1 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | -164.3 | 127.3 | 126.4 | 8.6 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1267 | D | 23.9 | Very low | 25.6 | Very low | 143 Ų | 143 | 138 Ų | 138 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | trans | 52.2 | 129.3 | 149.1 | -64.3 | -2 | 0 | 0 | 0 | 127.4 | ||||
| 1268 | S | 27.7 | Very low | 25.2 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | trans | 105.8 | 141.1 | 137.5 | 77.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1269 | Y | 22 | Very low | 24.8 | Very low | 221 Ų | 221 | 135.4 Ų | 135.4 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | trans | -119.6 | 159.5 | -178.7 | -100.9 | -87.6 | 0 | 0 | 0 | 107.4 | ||||
| 1270 | P | 27.3 | Very low | 25.4 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | -150.1 | 176.8 | 59.2 | 41.4 | -20.5 | 0 | 0 | 0 | 118.5 | |||||
| 1271 | S | 22 | Very low | 25.4 | Very low | 91 Ų | 91 | 134.3 Ų | 134.3 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | -95.9 | -163.3 | 165.6 | 60.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1272 | P | 33.5 | Very low | 25.4 | Very low | 111 Ų | 111 | 134 Ų | 134 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | cis | -118.7 | -160.9 | -23.3 | 22.6 | 3.2 | 0 | 0 | 0 | 109.9 | ||||
| 1273 | T | 24.7 | Very low | 25.3 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | cis | -168.3 | 156.9 | 39.9 | -38 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1274 | I | 24 | Very low | 25.4 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | trans | -77.1 | 147.1 | -179.3 | -66.8 | 149.3 | 0 | 0 | 0 | 112.5 | Y1276 | I1274-Y1276 HydrophobicContact CG2-CD2 4.31Š| ||
| 1275 | P | 26.3 | Very low | 25.2 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | -144.3 | 162.2 | 112.7 | 34.6 | -17.2 | 0 | 0 | 0 | 116.8 | |||||
| 1276 | Y | 22.7 | Very low | 25 | Very low | 211 Ų | 211 | 141.4 Ų | 141.4 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -75.3 | 155.9 | 179.2 | -83.3 | -123.4 | 0 | 0 | 0 | 114.3 | I1274 | I1274-Y1276 HydrophobicContact CG2-CD2 4.31Š| ||
| 1277 | I | 22.5 | Very low | 24.8 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | -177.6 | 141.9 | 122.3 | -93.3 | 155.9 | 0 | 0 | 0 | 112.8 | |||||
| 1278 | N | 20.8 | Very low | 24.9 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | -7.4 | 124.9 | 168.1 | -50.1 | -13.4 | 0 | 0 | 0 | 122.2 | ||||
| 1279 | S | 21.7 | Very low | 24.7 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | 39.6 | 155.4 | 128.1 | 69.6 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1280 | P | 34.5 | Very low | 24.7 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | cis | -140.3 | -165.9 | -34.8 | 39.2 | -19.6 | 0 | 0 | 0 | 114.1 | ||||
| 1281 | F | 24.2 | Very low | 24.6 | Very low | 179 Ų | 179 | 144.9 Ų | 144.9 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 83.4 | 118.7 | 150.7 | -89.2 | -40.8 | 0 | 0 | 0 | 124.1 | ||||
| 1282 | I | 24.3 | Very low | 24.6 | Very low | 142 Ų | 142 | 145 Ų | 145 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | trans | 61 | 153.3 | 147.9 | -27 | 171.8 | 0 | 0 | 0 | 115.6 | ||||
| 1283 | I | 24.3 | Very low | 24.2 | Very low | 140 Ų | 140 | 149.9 Ų | 149.9 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | cis | -151.9 | 133.3 | 25.2 | -26.9 | 177.1 | 0 | 0 | 0 | 109.3 | ||||
| 1284 | R | 26.6 | Very low | 24.2 | Very low | 230 Ų | 230 | 149.2 Ų | 149.2 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | 171.3 | 159 | 93.4 | -86 | 178.1 | 176.6 | 143.5 | -1.5 | 107.8 | |||||
| 1285 | G | 22.1 | Very low | 24.3 | Very low | 71 Ų | 71 | 150.6 Ų | 150.6 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | cis | 109.5 | 66.7 | 7.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1286 | I | 25.5 | Very low | 24.2 | Very low | 158 Ų | 158 | 149.8 Ų | 149.8 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -133.9 | 147.5 | 172.6 | -66.2 | -176.9 | 0 | 0 | 0 | 109.1 | I1288 | I1286-I1288 HydrophobicContact CG2-CD1 4.25Å; I1286-I1288 HydrophobicContact CG2-CG1 4.2Å | ||
| 1287 | H | 20.5 | Very low | 24.4 | Very low | 179 Ų | 179 | 148.8 Ų | 148.8 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | -143 | 101.7 | -161 | 176.1 | -69 | 0 | 0 | 0 | 110.2 | ||||
| 1288 | I | 25.9 | Very low | 24.5 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | trans | -129.3 | 101.1 | -175.3 | -61.5 | -176.7 | 0 | 0 | 0 | 111.8 | I1286 | I1286-I1288 HydrophobicContact CG2-CD1 4.25Å; I1286-I1288 HydrophobicContact CG2-CG1 4.2Å | ||
| 1289 | T | 23.5 | Very low | 24.9 | Very low | 117 Ų | 117 | 148 Ų | 148 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | trans | 24.7 | 138.1 | 145.9 | 58.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1290 | H | 21 | Very low | 25.2 | Very low | 180 Ų | 180 | 152.1 Ų | 152.1 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | trans | -44.1 | 146 | 154.8 | -81.3 | -115.2 | 0 | 0 | 0 | 113.4 | ||||
| 1291 | H | 25.4 | Very low | 24.6 | Very low | 189 Ų | 189 | 155 Ų | 155 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | trans | -145.6 | 137.2 | 134.1 | -121.2 | -76.2 | 0 | 0 | 0 | 111.2 | ||||
| 1292 | S | 22.5 | Very low | 24.8 | Very low | 94 Ų | 94 | 150 Ų | 150 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | -92 | 151.7 | 178.7 | 52.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1293 | K | 25.5 | Very low | 24.8 | Very low | 213 Ų | 213 | 154 Ų | 154 | 93% | 0.926 | 78% | 0.784 | S | S | * | * | trans | -143.1 | 121 | 143.6 | -110.5 | 177.1 | -177.1 | 179.9 | 0 | 110.2 | ||||
| 1294 | T | 24.5 | Very low | 24.8 | Very low | 111 Ų | 111 | 150.9 Ų | 150.9 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | trans | -88.6 | 160.7 | 173.5 | 44.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1295 | L | 26.4 | Very low | 24.8 | Very low | 170 Ų | 170 | 149.4 Ų | 149.4 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -151.7 | 99.1 | 151.7 | -123 | 169.4 | 0 | 0 | 0 | 108.1 | ||||
| 1296 | D | 23.1 | Very low | 24.9 | Very low | 109 Ų | 109 | 152.9 Ų | 152.9 | 58% | 0.583 | 78% | 0.778 | S | S | * | * | trans | -79.1 | 160.4 | 176.3 | -58.7 | -74.7 | 0 | 0 | 0 | 111.1 | ||||
| 1297 | H | 28.2 | Very low | 25 | Very low | 189 Ų | 189 | 150.9 Ų | 150.9 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | -153.1 | 139.2 | 126.7 | -109.6 | -73.4 | 0 | 0 | 0 | 111.9 | |||||
| 1298 | N | 24.8 | Very low | 25.1 | Very low | 131 Ų | 131 | 149.7 Ų | 149.7 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | -84 | 170.7 | -161.6 | -66.4 | -72.1 | 0 | 0 | 0 | 115.7 | ||||
| 1299 | L | 27.9 | Very low | 25 | Very low | 148 Ų | 148 | 149.8 Ų | 149.8 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | 120.4 | 129.8 | 156.1 | -66.2 | 160.5 | 0 | 0 | 0 | 112.4 | ||||
| 1300 | F | 27.6 | Very low | 24.9 | Very low | 195 Ų | 195 | 149.1 Ų | 149.1 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | cis | -124.4 | 159.5 | 15.9 | -100.4 | -95.1 | 0 | 0 | 0 | 114.5 | ||||
| 1301 | H | 23.7 | Very low | 25 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -103.9 | 140.3 | 167.8 | -108.4 | -30.8 | 0 | 0 | 0 | 111.3 | ||||
| 1302 | G | 27.4 | Very low | 24.9 | Very low | 76 Ų | 76 | 143.3 Ų | 143.3 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | -144.4 | 131.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1303 | R | 23.6 | Very low | 24.9 | Very low | 224 Ų | 224 | 145.3 Ų | 145.3 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | -114.5 | 137.5 | -174.5 | -79.6 | -176.7 | 172.3 | 178.9 | -1.5 | 111.9 | ||||
| 1304 | G | 26.1 | Very low | 24.7 | Very low | 75 Ų | 75 | 140.4 Ų | 140.4 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | -131.8 | 157.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1305 | R | 25.2 | Very low | 24.5 | Very low | 200 Ų | 200 | 143.5 Ų | 143.5 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -154.3 | 158.1 | -169.5 | -75.1 | -172.8 | 125.8 | -172 | 0.4 | 108.4 | ||||
| 1306 | H | 24.3 | Very low | 24.3 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | cis | -159.8 | -173 | -4.3 | -121.4 | 28 | 0 | 0 | 0 | 106.8 | F1308 | H1306-F1308 AromaticContact CE1-CE2 3.93Å; H1306-F1308 AromaticContact NE2-CD2 3.48Å; H1306-F1308 WeakPolarHBondContact NE2-CD2 3.41Å; H1306-F1308 AromaticContact NE2-CE2 2.86Å; H1306-F1308 WeakPolarHBondContact NE2-CE2 3.36Å; H1306-F1308 AromaticContact NE2-CZ 3.96Å | ||
| 1307 | P | 28.4 | Very low | 24.3 | Very low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | cis | -132.1 | -156.5 | 7.3 | 41.3 | -21.1 | 0 | 0 | 0 | 114.1 | ||||
| 1308 | F | 22.7 | Very low | 24.1 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | trans | -100.3 | 158.9 | -179.3 | -63.9 | -107.6 | 0 | 0 | 0 | 113.1 | H1306 | H1306-F1308 AromaticContact CE1-CE2 3.93Å; H1306-F1308 AromaticContact NE2-CD2 3.48Å; H1306-F1308 WeakPolarHBondContact NE2-CD2 3.41Å; H1306-F1308 AromaticContact NE2-CE2 2.86Å; H1306-F1308 WeakPolarHBondContact NE2-CE2 3.36Å; H1306-F1308 AromaticContact NE2-CZ 3.96Å | ||
| 1309 | T | 24.4 | Very low | 24 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | trans | -131.5 | 122.4 | 133.8 | 31.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1310 | S | 21.1 | Very low | 24 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | -91 | 144 | 171.5 | 44.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1311 | V | 23.5 | Very low | 24.1 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -118.6 | 113.4 | 164.6 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | V1313 | V1311-V1313 HydrophobicContact CG1-CG2 4.17Š| ||
| 1312 | V | 21.5 | Very low | 24.2 | Very low | 116 Ų | 116 | 139 Ų | 139 | 70% | 0.703 | 78% | 0.778 | S | S | * | * | trans | -77.3 | 130.3 | 168 | 173.6 | 0 | 0 | 0 | 0 | 108.1 | T1314 | V1312-T1314 HydrophobicContact CG1-CG2 3.88Š| ||
| 1313 | V | 23.6 | Very low | 24.1 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -118.4 | 100.4 | 165.8 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | V1311 | V1311-V1313 HydrophobicContact CG1-CG2 4.17Š| ||
| 1314 | T | 20.3 | Very low | 24.3 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | trans | -87.7 | 130.9 | 170 | 44 | 0 | 0 | 0 | 0 | 110.7 | V1312 | V1312-T1314 HydrophobicContact CG1-CG2 3.88Š| ||
| 1315 | M | 20.6 | Very low | 24.3 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | 53.3 | 108.4 | 153.4 | -58.1 | -58.4 | -166.4 | 0 | 0 | 119 | ||||
| 1316 | S | 23.1 | Very low | 24.3 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | -176.8 | 69.3 | 133.9 | -80.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1317 | E | 23.3 | Very low | 24.4 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | -93 | 125.7 | 173.7 | -67 | -171.9 | 146.5 | 0 | 0 | 111.4 | ||||
| 1318 | P | 24.2 | Very low | 24.5 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | trans | -93.2 | 93.2 | 157.7 | 33.3 | -27.2 | 0 | 0 | 0 | 109.2 | S1320 | P1318-S1320 PolarHBondContact O-N 3Š| ||
| 1319 | S | 22.3 | Very low | 24.6 | Very low | 98 Ų | 98 | 142.9 Ų | 142.9 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | trans | -68.8 | 122.3 | 167.5 | 53.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1320 | S | 28.4 | Very low | 24.9 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | -169.3 | 138.7 | 150.9 | 65.3 | 0 | 0 | 0 | 0 | 113.2 | P1318 | P1318-S1320 PolarHBondContact O-N 3Š| ||
| 1321 | D | 29 | Very low | 25 | Very low | 136 Ų | 136 | 146 Ų | 146 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -161.8 | 155 | -34.4 | -99.2 | -32.6 | 0 | 0 | 0 | 108.8 | ||||
| 1322 | R | 24.9 | Very low | 25.4 | Very low | 236 Ų | 236 | 144.5 Ų | 144.5 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -119.4 | 101.1 | 163.5 | -106.4 | -174.1 | 170.7 | 171.8 | -4.2 | 107.3 | ||
| 1323 | E | 25.6 | Very low | 25.6 | Very low | 173 Ų | 173 | 144 Ų | 144 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | trans | 64.4 | 146.4 | 176.6 | -63.4 | 157.9 | 169.8 | 0 | 0 | 112.1 | ||||
| 1324 | D | 28 | Very low | 25.7 | Very low | 130 Ų | 130 | 146 Ų | 146 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | cis | -155 | -167.6 | 30.4 | -148.1 | -29.5 | 0 | 0 | 0 | 112.2 | ||||
| 1325 | N | 26.6 | Very low | 26.1 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -57.1 | 167.5 | 178.5 | -68.1 | -89.8 | 0 | 0 | 0 | 113.9 | ||||
| 1326 | E | 25.5 | Very low | 26.3 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | cis | 177.4 | 176.9 | 47.6 | -157.9 | -168.9 | -134.3 | 0 | 0 | 112.3 | ||||
| 1327 | K | 25.8 | Very low | 26.7 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | 79.9 | 157.4 | 165.1 | -52.2 | 175.4 | -176.4 | 67.2 | 0 | 114.6 | ||||
| 1328 | I | 30.3 | Very low | 26.9 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 74% | 0.744 | 73% | 0.726 | S | S | * | * | cis | -134.5 | 127 | 25.3 | -70.9 | 171.8 | 0 | 0 | 0 | 113.9 | ||||
| 1329 | Q | 25.1 | Very low | 27.2 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | trans | 32.8 | 116.2 | 144.1 | -50.5 | 172.5 | 22.1 | 0 | 0 | 121.8 | ||||
| 1330 | S | 29.3 | Very low | 27.5 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | 166.9 | 116.9 | 109.5 | 52.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 1331 | K | 24.3 | Very low | 27.6 | Very low | 198 Ų | 198 | 141 Ų | 141 | 86% | 0.861 | 73% | 0.725 | S | S | * | * | 80.8 | 142.3 | 69.4 | -89.5 | -168.4 | 174.9 | 179.9 | 0 | 114.1 | |||||
| 1332 | P | 32.2 | Very low | 27.7 | Very low | 100 Ų | 100 | 141 Ų | 141 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | -146.2 | -155.2 | -51.4 | 34.2 | -10.8 | 0 | 0 | 0 | 112.4 | |||||
| 1333 | V | 25.1 | Very low | 27.9 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 64% | 0.642 | 71% | 0.713 | S | S | * | * | trans | 79.1 | 145.2 | 138.2 | 140.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1334 | F | 25.8 | Very low | 28.1 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | cis | -146.6 | 165 | -14 | -101.8 | -47.4 | 0 | 0 | 0 | 106.8 | ||||
| 1335 | K | 27.7 | Very low | 28.1 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 73% | 0.726 | 71% | 0.707 | S | S | * | * | -163.1 | 133.9 | 59.2 | -94.4 | -163.2 | 172.2 | -161.6 | 0 | 109.4 | |||||
| 1336 | S | 26.5 | Very low | 28.2 | Very low | 50 Ų | 50 | 136.8 Ų | 136.8 | 35% | 0.35 | 71% | 0.711 | S | S | . | * | 79.2 | 142.1 | 73.7 | 87.1 | 0 | 0 | 0 | 0 | 111.9 | P1112 | P1112-S1336 WeakPolarHBondContact CD-O 3.43Š| |||
| 1337 | D | 29.8 | Very low | 28.2 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 66% | 0.663 | 72% | 0.719 | S | S | * | * | cis | -145.8 | 140.3 | 29.8 | -83.4 | -68.7 | 0 | 0 | 0 | 112.4 | ||||
| 1338 | S | 28.4 | Very low | 29 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | 81.5 | 151.9 | 90.8 | 96.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1339 | T | 30.6 | Very low | 28.6 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | cis | -150.6 | 170.9 | 8.2 | 30.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 1340 | D | 27.9 | Very low | 28.8 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | cis | -128.7 | -92.8 | -20.3 | 179.2 | 57.9 | 0 | 0 | 0 | 109.3 | I1342 | D1340-I1342 PolarHBondContact OD2-N 3.24Š| ||
| 1341 | V | 31.2 | Very low | 28.6 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 69% | 0.685 | 71% | 0.71 | S | S | * | * | cis | -143.2 | 117 | -10 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1342 | I | 30.6 | Very low | 28.8 | Very low | 135 Ų | 135 | 129 Ų | 129 | 69% | 0.692 | 70% | 0.699 | S | S | * | * | trans | 62.8 | 133.9 | 162.7 | -69.9 | 176.2 | 0 | 0 | 0 | 117.5 | D1340 | D1340-I1342 PolarHBondContact OD2-N 3.24Š| ||
| 1343 | K | 29.9 | Very low | 28.5 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | cis | -171.5 | 147.4 | -20.7 | -120.8 | 174 | 178.6 | -178 | 0 | 110.2 | ||||
| 1344 | Q | 29.3 | Very low | 28.6 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 65% | 0.654 | 70% | 0.704 | S | S | * | * | trans | 58.5 | 129.4 | 140.2 | -76.4 | 172.9 | -41.9 | 0 | 0 | 123.6 | ||||
| 1345 | N | 28.5 | Very low | 28.6 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | trans | 76.7 | 146.6 | 134 | -62.8 | 0.1 | 0 | 0 | 0 | 119.1 | ||||
| 1346 | L | 28.7 | Very low | 28.7 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | cis | -146.4 | -175.5 | 4.3 | -123.8 | 161 | 0 | 0 | 0 | 111.3 | ||||
| 1347 | Q | 25.9 | Very low | 28.8 | Very low | 181 Ų | 181 | 128.8 Ų | 128.8 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | trans | -107.1 | 176.1 | -170.3 | -105.5 | -159.2 | -15.4 | 0 | 0 | 114.3 | ||||
| 1348 | P | 42.2 | Very low | 28.8 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | trans | -105 | -176 | -155.9 | 43 | -39.5 | 0 | 0 | 0 | 114.9 | ||||
| 1349 | L | 22.3 | Very low | 29 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 80% | 0.796 | 72% | 0.719 | S | S | * | * | trans | 178.5 | 161.5 | 132.9 | -99.6 | 154.1 | 0 | 0 | 0 | 115.2 | ||||
| 1350 | N | 28.3 | Very low | 29.1 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | trans | 75.2 | 121.5 | 151.8 | -68.7 | -20.7 | 0 | 0 | 0 | 123.2 | ||||
| 1351 | N | 26.3 | Very low | 29.3 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | 53.6 | 150.7 | 115.8 | -52.8 | -6.7 | 0 | 0 | 0 | 121.6 | |||||
| 1352 | A | 26.6 | Very low | 29.2 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 62% | 0.62 | 72% | 0.72 | S | S | * | * | cis | -175.1 | 174.7 | -19 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1353 | N | 26.4 | Very low | 29 | Very low | 139 Ų | 139 | 127.7 Ų | 127.7 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | 66.8 | 160.2 | 162 | -72.1 | 37.5 | 0 | 0 | 0 | 116.9 | ||||
| 1354 | D | 27.6 | Very low | 28.8 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 66% | 0.658 | 73% | 0.731 | S | S | * | * | cis | -150.3 | 170.2 | -2.8 | -124.4 | -33.8 | 0 | 0 | 0 | 113.2 | ||||
| 1355 | T | 25.6 | Very low | 28.6 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | trans | 3.7 | 147.9 | 161.9 | 63.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1356 | I | 29.3 | Very low | 28.5 | Very low | 152 Ų | 152 | 125.1 Ų | 125.1 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | cis | -150.7 | 161.5 | 41.6 | -64.9 | 171.4 | 0 | 0 | 0 | 107.6 | V1358 | I1356-V1358 HydrophobicContact CG2-CG2 4.47Š| ||
| 1357 | G | 29.3 | Very low | 28.2 | Very low | 63 Ų | 63 | 123.1 Ų | 123.1 | 65% | 0.649 | 73% | 0.73 | S | S | * | * | cis | 124 | 167.2 | 7.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1358 | V | 31 | Very low | 28.3 | Very low | 124 Ų | 124 | 120 Ų | 120 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | trans | 65 | 112.2 | 167.6 | -178.9 | 0 | 0 | 0 | 0 | 115.2 | I1356 | I1356-V1358 HydrophobicContact CG2-CG2 4.47Š| ||
| 1359 | N | 31.3 | Very low | 27.5 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 63% | 0.631 | 72% | 0.723 | S | S | * | * | cis | -163.2 | 170.5 | 23.8 | -95.7 | -14 | 0 | 0 | 0 | 109.4 | ||||
| 1360 | H | 32.5 | Very low | 27.8 | Very low | 148 Ų | 148 | 124 Ų | 124 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | cis | -160 | 155.2 | -8.4 | -110.7 | -30.9 | 0 | 0 | 0 | 108.7 | ||||
| 1361 | T | 32.7 | Very low | 27.9 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | trans | 42.5 | 130.9 | 154.9 | 58.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1362 | G | 28.6 | Very low | 27.9 | Very low | 68 Ų | 68 | 124 Ų | 124 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | cis | 173.3 | 136.3 | -1.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1363 | S | 27.4 | Very low | 27.7 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | 61.8 | 132.4 | 65.2 | -74.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1364 | C | 24.6 | Very low | 27.7 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 78% | 0.777 | 73% | 0.73 | S | S | * | * | cis | -172.1 | -148.8 | -10.2 | -132.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1365 | I | 26.3 | Very low | 27.6 | Very low | 145 Ų | 145 | 127 Ų | 127 | 74% | 0.744 | 74% | 0.739 | S | S | * | * | trans | 107.9 | 97 | 144.4 | -57.7 | -179.8 | 0 | 0 | 0 | 118.2 | ||||
| 1366 | T | 25.2 | Very low | 27.5 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | trans | 52.3 | 131.1 | 143.7 | 62.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1367 | V | 22.9 | Very low | 27.2 | Very low | 118 Ų | 118 | 126 Ų | 126 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | cis | 79.1 | 105.5 | 42.1 | 178.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1368 | N | 27.6 | Very low | 26.9 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 62% | 0.62 | 71% | 0.709 | S | S | * | * | 177.6 | 132.4 | 120.9 | -93.6 | -47.9 | 0 | 0 | 0 | 113.3 | |||||
| 1369 | R | 25.5 | Very low | 26.6 | Very low | 199 Ų | 199 | 127.1 Ų | 127.1 | 75% | 0.751 | 71% | 0.706 | S | S | * | * | 48.4 | 154.8 | 128.9 | -48.1 | 174.4 | -166.3 | -171.7 | -2.8 | 120.5 | |||||
| 1370 | H | 28.8 | Very low | 26.3 | Very low | 143 Ų | 143 | 130.9 Ų | 130.9 | 66% | 0.662 | 72% | 0.717 | S | S | * | * | cis | -152.1 | 157 | 26.7 | -110.7 | -68.1 | 0 | 0 | 0 | 113.6 | ||||
| 1371 | N | 30 | Very low | 26 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 64% | 0.642 | 72% | 0.72 | S | S | * | * | trans | 63.7 | 97.3 | 146.6 | -61.8 | 3.1 | 0 | 0 | 0 | 123 | ||||
| 1372 | D | 26 | Very low | 25.6 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | 58.7 | 131.1 | 101.9 | -60.7 | -27.4 | 0 | 0 | 0 | 125.4 | |||||
| 1373 | C | 23.4 | Very low | 25.5 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 91% | 0.912 | 72% | 0.721 | S | S | * | * | trans | 69.7 | 129 | 140.5 | -73.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1374 | G | 25.8 | Very low | 25.5 | Very low | 73 Ų | 73 | 129.4 Ų | 129.4 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | trans | -172.2 | 2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1375 | K | 25.6 | Very low | 25.5 | Very low | 192 Ų | 192 | 129.2 Ų | 129.2 | 84% | 0.835 | 70% | 0.703 | S | S | * | * | trans | 56.9 | 128.1 | 166.5 | -75.1 | -171.5 | 174.9 | -178.7 | 0 | 122 | ||||
| 1376 | F | 22.9 | Very low | 25.5 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 70% | 0.697 | 70% | 0.696 | S | S | * | * | trans | 64 | 141.1 | 132.5 | -84.9 | -100.6 | 0 | 0 | 0 | 124.7 | V1529 | F1376-V1529 HydrophobicContact CD1-CG2 4.46Å; F1376-V1529 HydrophobicContact CE1-CG2 4.17Å | ||
| 1377 | D | 23.1 | Very low | 25.5 | Very low | 90 Ų | 90 | 127.5 Ų | 127.5 | 48% | 0.481 | 69% | 0.687 | S | S | . | * | trans | 69.3 | 123 | 147.6 | -83.7 | 6.9 | 0 | 0 | 0 | 123 | ||||
| 1378 | K | 23.8 | Very low | 25.6 | Very low | 81 Ų | 81 | 129.4 Ų | 129.4 | 35% | 0.352 | 69% | 0.688 | S | S | . | * | 112 | 129.3 | 125.1 | -95.6 | -173.9 | 179.6 | -76 | 0 | 121.1 | D1525 S1526 S1527 | K1378-D1525 IonicContact NZ-OD1 2.75Å; K1378-D1525 PolarHBondContact NZ-OD1 2.99Å; K1378-S1526 WeakPolarHBondContact CE-O 3.07Å; K1378-S1526 VanDerWaalsContact CE-OG 3.32Å; K1378-S1526 WeakPolarHBondContact CE-OG 3.48Å; K1378-S1526 VanDerWaalsContact CG-OG 3.28Å; K1378-S1526 WeakPolarHBondContact CG-OG 3.46Å; K1378-S1526 VanDerWaalsContact NZ-C 3.34Å; K1378-S1526 PolarHBondContact NZ-O 2.83Å; K1378-S1526 PolarHBondContact NZ-OG 3Å; K1378-S1527 WeakPolarHBondContact CE-OG 3.11Å | |||
| 1379 | L | 24.5 | Very low | 25.6 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 68% | 0.681 | 69% | 0.692 | S | S | * | * | trans | 93.6 | 151.4 | 136.5 | -77.9 | 169.1 | 0 | 0 | 0 | 121.9 | ||||
| 1380 | F | 24.9 | Very low | 25.6 | Very low | 198 Ų | 198 | 124.7 Ų | 124.7 | 87% | 0.868 | 69% | 0.69 | S | S | * | * | trans | -94.6 | 174.8 | 178.6 | -86.6 | -104.4 | 0 | 0 | 0 | 110.8 | ||||
| 1381 | A | 25.6 | Very low | 25.4 | Very low | 90 Ų | 90 | 121.9 Ų | 121.9 | 74% | 0.744 | 69% | 0.686 | S | S | * | * | trans | 71.4 | 152.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1382 | S | 24.4 | Very low | 25.3 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 79% | 0.79 | 70% | 0.695 | S | S | * | * | cis | -163.8 | 172.4 | -20.5 | -95.8 | 0 | 0 | 0 | 0 | 107.8 | A1384 | S1382-A1384 PolarHBondContact O-N 2.85Š| ||
| 1383 | D | 26.8 | Very low | 25.4 | Very low | 149 Ų | 149 | 125.5 Ų | 125.5 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | trans | -59.4 | 128.2 | 176.3 | -65.2 | -70.9 | 0 | 0 | 0 | 114 | ||||
| 1384 | A | 27.4 | Very low | 25.5 | Very low | 93 Ų | 93 | 128 Ų | 128 | 77% | 0.769 | 69% | 0.691 | S | S | * | * | trans | -154.8 | 70.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1382 | S1382-A1384 PolarHBondContact O-N 2.85Š| ||
| 1385 | K | 25.7 | Very low | 25.6 | Very low | 111 Ų | 111 | 129 Ų | 129 | 48% | 0.483 | 69% | 0.687 | S | S | . | * | 48.8 | 122.8 | 126.6 | -72.2 | 175.9 | 170.2 | -161.2 | 0 | 122.2 | E1502 | K1385-E1502 WeakPolarHBondContact CD-OE2 3.33Å; K1385-E1502 WeakPolarHBondContact CE-OE1 3.23Å; K1385-E1502 WeakPolarHBondContact CE-OE2 3.26Å; K1385-E1502 PolarHBondContact NZ-O 3.33Å; K1385-E1502 IonicContact NZ-OE1 3.2Å; K1385-E1502 IonicContact NZ-OE2 3.47Å; K1385-E1502 PolarHBondContact NZ-OE2 2.94Å | |||
| 1386 | L | 25.4 | Very low | 25.7 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 59% | 0.592 | 68% | 0.678 | S | S | * | * | 103.1 | 147.3 | 117.1 | -83.1 | -173.1 | 0 | 0 | 0 | 123.9 | E1502 | L1386-E1502 VanDerWaalsContact CD1-CD 3.48Å; L1386-E1502 WeakPolarHBondContact CD1-OE1 3.46Å; L1386-E1502 WeakPolarHBondContact CD1-OE2 3.11Å; L1386-E1502 WeakPolarHBondContact CD2-OE1 3.39Å; L1386-E1502 WeakPolarHBondContact CG-OE1 3.44Å | |||
| 1387 | H | 26 | Very low | 25.9 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 52% | 0.523 | 68% | 0.68 | S | S | . | * | trans | 67 | 113 | 153.6 | -94.8 | -91.9 | 0 | 0 | 0 | 121.8 | ||||
| 1388 | E | 24.6 | Very low | 26.1 | Very low | 159 Ų | 159 | 129.6 Ų | 129.6 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | trans | 60.9 | 148.3 | 137.2 | -77 | 169.8 | 161.2 | 0 | 0 | 120.3 | ||||
| 1389 | S | 27.7 | Very low | 26.4 | Very low | 101 Ų | 101 | 134 Ų | 134 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | cis | -152.5 | 134.9 | 25.6 | 20.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1390 | T | 25.5 | Very low | 26.6 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | trans | 26.9 | 110.9 | 137.6 | 61.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1391 | S | 25.1 | Very low | 26.8 | Very low | 84 Ų | 84 | 131.8 Ų | 131.8 | 59% | 0.587 | 70% | 0.699 | S | S | * | * | 87.9 | 157.6 | 111.4 | 83.1 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1392 | K | 27.5 | Very low | 27.1 | Very low | 190 Ų | 190 | 135.7 Ų | 135.7 | 83% | 0.826 | 70% | 0.702 | S | S | * | * | trans | 74.3 | 149.3 | 158.4 | -66.4 | 158.4 | -169.6 | 167.4 | 0 | 115.9 | ||||
| 1393 | L | 27.5 | Very low | 27.3 | Very low | 147 Ų | 147 | 133 Ų | 133 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | cis | -126.3 | 144 | 9.1 | -137 | 62.5 | 0 | 0 | 0 | 107.8 | ||||
| 1394 | K | 25.2 | Very low | 27.5 | Very low | 188 Ų | 188 | 133 Ų | 133 | 82% | 0.817 | 69% | 0.692 | S | S | * | * | 48.8 | 138.4 | 71.5 | -91.3 | -166.5 | 176.3 | -172.9 | 0 | 113.9 | |||||
| 1395 | S | 27.8 | Very low | 27.6 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 66% | 0.657 | 69% | 0.686 | S | S | * | * | cis | -163.5 | -153.8 | -2.7 | 34.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1396 | H | 27.9 | Very low | 27.8 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 65% | 0.648 | 70% | 0.695 | S | S | * | * | cis | -174.6 | 161.9 | 12.8 | -149.9 | -50.2 | 0 | 0 | 0 | 110.2 | ||||
| 1397 | R | 27.9 | Very low | 28.1 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | trans | 78.7 | 153.4 | 155.8 | -58.1 | -172.1 | -173.7 | -170.5 | -1.1 | 119.5 | ||||
| 1398 | D | 26.8 | Very low | 28.3 | Very low | 114 Ų | 114 | 137 Ų | 137 | 61% | 0.61 | 71% | 0.709 | S | S | * | * | cis | -157.6 | 155.9 | -25.4 | -86.6 | -24.6 | 0 | 0 | 0 | 105.8 | ||||
| 1399 | F | 30.4 | Very low | 28.5 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | -171 | 138.2 | 85.3 | -102.6 | -91.7 | 0 | 0 | 0 | 111.3 | |||||
| 1400 | E | 29.1 | Very low | 28.6 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | trans | 27.2 | 142.7 | 140.3 | -60.3 | 166.3 | -168.6 | 0 | 0 | 121.1 | ||||
| 1401 | N | 29.6 | Very low | 28.7 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 68% | 0.684 | 72% | 0.715 | S | S | * | * | cis | -169.4 | 178 | -7.3 | -104.7 | 10.2 | 0 | 0 | 0 | 105.8 | ||||
| 1402 | E | 30.2 | Very low | 28.7 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 81% | 0.808 | 73% | 0.728 | S | S | * | * | cis | -161.2 | 175.5 | -3.9 | -116.3 | 163.8 | -69 | 0 | 0 | 105.8 | ||||
| 1403 | G | 29.5 | Very low | 28.5 | Very low | 57 Ų | 57 | 143 Ų | 143 | 59% | 0.588 | 73% | 0.732 | S | S | * | * | cis | 163.5 | 129.4 | -4.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1404 | N | 29.9 | Very low | 28.4 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | trans | 62.8 | 149.3 | 167.9 | -70.1 | 42 | 0 | 0 | 0 | 118.9 | ||||
| 1405 | D | 31.1 | Very low | 28.7 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | cis | -152.9 | 142 | -2.9 | -107 | -27.7 | 0 | 0 | 0 | 114.3 | ||||
| 1406 | I | 28.8 | Very low | 28.4 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 67% | 0.672 | 74% | 0.736 | S | S | * | * | trans | 48.7 | 101.3 | 137.6 | -55.6 | 161.1 | 0 | 0 | 0 | 121.1 | ||||
| 1407 | N | 31 | Very low | 28.1 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | 162.1 | 146.2 | 116.4 | -94 | -34.8 | 0 | 0 | 0 | 116.6 | |||||
| 1408 | N | 31 | Very low | 28.3 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | trans | 63.4 | 104.2 | 152.5 | -61.5 | -13.7 | 0 | 0 | 0 | 123.3 | ||||
| 1409 | I | 28.9 | Very low | 28.3 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | 49 | 129.3 | 111.1 | -57.9 | 155.1 | 0 | 0 | 0 | 119.6 | |||||
| 1410 | P | 29 | Very low | 27.9 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -126.7 | 178.1 | -42.4 | 38.7 | -20.3 | 0 | 0 | 0 | 111.4 | ||||
| 1411 | P | 28 | Very low | 27.7 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -99.1 | 132.1 | -178.4 | 35.2 | -30.4 | 0 | 0 | 0 | 114.3 | ||||
| 1412 | D | 25.4 | Very low | 27.4 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -163.4 | 94.9 | 157.1 | -118 | -24.2 | 0 | 0 | 0 | 112.2 | ||||
| 1413 | Y | 24.4 | Very low | 27 | Very low | 231 Ų | 231 | 145.4 Ų | 145.4 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | trans | 173.7 | 101.9 | 146.8 | -120.1 | -93.5 | 0 | 0 | 0 | 112 | ||||
| 1414 | V | 25.4 | Very low | 26.7 | Very low | 141 Ų | 141 | 153.3 Ų | 153.3 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -145.7 | 131.4 | 161.4 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1415 | P | 30.1 | Very low | 26.5 | Very low | 105 Ų | 105 | 151.2 Ų | 151.2 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | -93.5 | 155.4 | 177.9 | 36.7 | -34.6 | 0 | 0 | 0 | 113.4 | ||||
| 1416 | E | 22.3 | Very low | 26.2 | Very low | 170 Ų | 170 | 155.2 Ų | 155.2 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | 165.9 | 116.9 | 127.2 | -93.5 | -170.3 | -177.3 | 0 | 0 | 114.8 | |||||
| 1417 | L | 22.4 | Very low | 26 | Very low | 149 Ų | 149 | 152.8 Ų | 152.8 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | 57.1 | -177.1 | 136.5 | -60.9 | 168.9 | 0 | 0 | 0 | 118.1 | ||||
| 1418 | P | 31 | Very low | 25.7 | Very low | 109 Ų | 109 | 153.3 Ų | 153.3 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | -131.1 | 162.9 | -86.6 | 38.8 | -22.4 | 0 | 0 | 0 | 114.5 | |||||
| 1419 | N | 26.9 | Very low | 25.5 | Very low | 160 Ų | 160 | 154.2 Ų | 154.2 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -144.4 | 131.7 | 159.5 | -121.7 | -40 | 0 | 0 | 0 | 118.2 | ||||
| 1420 | R | 23 | Very low | 25.2 | Very low | 223 Ų | 223 | 156.6 Ų | 156.6 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | trans | -54.8 | 135.2 | -173.8 | -65 | 156.2 | 167.8 | 171.4 | -4.3 | 115.1 | ||||
| 1421 | K | 24.5 | Very low | 25 | Very low | 216 Ų | 216 | 159.7 Ų | 159.7 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | trans | -158.8 | 91 | 134 | -110.3 | 172 | -171.5 | 174.6 | 0 | 110.6 | ||||
| 1422 | S | 21.8 | Very low | 24.8 | Very low | 106 Ų | 106 | 159.8 Ų | 159.8 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | -137.1 | 102.3 | -177.4 | 57.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1423 | Q | 23.4 | Very low | 24.6 | Very low | 179 Ų | 179 | 157.2 Ų | 157.2 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -174 | 148.9 | 153.5 | -114.6 | -175.7 | 30.3 | 0 | 0 | 113.1 | ||||
| 1424 | R | 23 | Very low | 24.6 | Very low | 223 Ų | 223 | 153.1 Ų | 153.1 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | trans | 97.5 | 132.2 | 162.6 | -61.7 | -178 | -178.9 | -159.6 | -3.8 | 120.3 | ||||
| 1425 | S | 24.8 | Very low | 24.5 | Very low | 104 Ų | 104 | 154 Ų | 154 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | 71.4 | 104.7 | 152.8 | 47.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1426 | F | 25.8 | Very low | 24.2 | Very low | 202 Ų | 202 | 155.8 Ų | 155.8 | 89% | 0.886 | 76% | 0.76 | S | S | * | * | 40.1 | 109.5 | 128.2 | -71.8 | -84 | 0 | 0 | 0 | 118.8 | Y1428 | F1426-Y1428 PolarHBondContact O-N 3.26Š| |||
| 1427 | G | 23.3 | Very low | 24.1 | Very low | 80 Ų | 80 | 155.1 Ų | 155.1 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | -73.8 | 109 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1428 | Y | 24.9 | Very low | 24.2 | Very low | 150 Ų | 150 | 153.6 Ų | 153.6 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | trans | -101.8 | 130.9 | 141.1 | -90.2 | -106.5 | 0 | 0 | 0 | 107.2 | F1426 Y1430 | F1426-Y1428 PolarHBondContact O-N 3.26Å; Y1428-Y1430 PolarHBondContact O-N 3.47Å | ||
| 1429 | R | 26.5 | Very low | 23.8 | Very low | 145 Ų | 145 | 155.7 Ų | 155.7 | 55% | 0.547 | 76% | 0.763 | S | S | . | * | trans | -67.6 | 114.2 | -167.4 | -73 | -178.6 | 171.5 | 115.8 | -4.4 | 111.9 | S93 Y1431 | S93-R1429 PolarHBondContact OG-NE 2.81Å; S93-R1429 VanDerWaalsContact OG-NE 3.12Å; S93-R1429 PolarHBondContact OG-NH2 3.29Å; R1429-Y1431 PolarHBondContact O-N 3.01Å | ||
| 1430 | Y | 23.8 | Very low | 23.8 | Very low | 201 Ų | 201 | 153.5 Ų | 153.5 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | trans | -67.1 | 118.8 | 162.7 | -93.4 | -108.8 | 0 | 0 | 0 | 109.9 | Y1428 Q1432 | Y1428-Y1430 PolarHBondContact O-N 3.47Å; Y1430-Q1432 HydrophobicContact CD1-CB 4.48Å | ||
| 1431 | Y | 23.8 | Very low | 23.8 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 70% | 0.698 | 75% | 0.749 | S | S | * | * | trans | -94.5 | 77.9 | 157.3 | -100.4 | -89.3 | 0 | 0 | 0 | 108.3 | R1429 | R1429-Y1431 PolarHBondContact O-N 3.01Š| ||
| 1432 | Q | 24 | Very low | 23.9 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 58% | 0.575 | 75% | 0.746 | S | S | * | * | trans | -86 | 117.2 | 174.2 | -172.4 | 161.4 | -29.5 | 0 | 0 | 109.2 | Y1430 H1434 | Y1430-Q1432 HydrophobicContact CD1-CB 4.48Å; Q1432-H1434 PolarHBondContact NE2-NE2 3.28Å; Q1432-H1434 PolarHBondContact O-N 3.12Å | ||
| 1433 | S | 22.2 | Very low | 24 | Very low | 106 Ų | 106 | 147 Ų | 147 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | -74.4 | 84 | -177.2 | 41.3 | 0 | 0 | 0 | 0 | 112.1 | L1435 | S1433-L1435 PolarHBondContact O-N 3.11Å; S1433-L1435 VanDerWaalsContact O-N 3.16Å | ||
| 1434 | H | 24.3 | Very low | 24 | Very low | 145 Ų | 145 | 143 Ų | 143 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | trans | -79.2 | 89 | 167.4 | -75.5 | -82.8 | 0 | 0 | 0 | 111 | Q1432 | Q1432-H1434 PolarHBondContact NE2-NE2 3.28Å; Q1432-H1434 PolarHBondContact O-N 3.12Å | ||
| 1435 | L | 22.8 | Very low | 24.2 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | trans | -79.7 | 115.1 | 151.6 | -85.9 | 163.1 | 0 | 0 | 0 | 107.6 | S1433 | S1433-L1435 PolarHBondContact O-N 3.11Å; S1433-L1435 VanDerWaalsContact O-N 3.16Å | ||
| 1436 | I | 23.1 | Very low | 24.3 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 73% | 0.728 | 73% | 0.731 | S | S | * | * | trans | -86.7 | 116.6 | 165.2 | -63.9 | 175.9 | 0 | 0 | 0 | 106 | T1438 | I1436-T1438 HydrophobicContact CG2-CG2 4.32Š| ||
| 1437 | L | 22.1 | Very low | 24.4 | Very low | 156 Ų | 156 | 134 Ų | 134 | 82% | 0.817 | 72% | 0.722 | S | S | * | * | trans | -80.3 | 119.5 | 173.8 | -77.1 | 165.4 | 0 | 0 | 0 | 109.4 | ||||
| 1438 | T | 23 | Very low | 24.5 | Very low | 118 Ų | 118 | 137 Ų | 137 | 72% | 0.724 | 72% | 0.719 | S | S | * | * | trans | -147.5 | 86.2 | 163.9 | 55.1 | 0 | 0 | 0 | 0 | 109.1 | I1436 | I1436-T1438 HydrophobicContact CG2-CG2 4.32Š| ||
| 1439 | D | 23.9 | Very low | 24.6 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -96.1 | 148.7 | 152.1 | -69 | -47.5 | 0 | 0 | 0 | 107.5 | ||||
| 1440 | P | 25.2 | Very low | 24.6 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 74% | 0.74 | 73% | 0.733 | S | S | * | * | -144.5 | 161.9 | 112.8 | 38 | -24.8 | 0 | 0 | 0 | 115.8 | |||||
| 1441 | S | 23.6 | Very low | 24.8 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | trans | 57.6 | 108 | 149.4 | 63.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1442 | I | 25.9 | Very low | 25.1 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | -127.6 | 136 | 116.6 | -61.5 | -176.2 | 0 | 0 | 0 | 107.2 | |||||
| 1443 | I | 23.9 | Very low | 25 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | -137.5 | 160.2 | -177.5 | -80.9 | 177.3 | 0 | 0 | 0 | 108.6 | ||||
| 1444 | S | 24.7 | Very low | 25.3 | Very low | 95 Ų | 95 | 132.1 Ų | 132.1 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | trans | 72.7 | 146.8 | 171 | 74.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1445 | N | 27.4 | Very low | 25.3 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | cis | -161.1 | 169.9 | 1.4 | -111.1 | -0.6 | 0 | 0 | 0 | 108.5 | ||||
| 1446 | S | 26.2 | Very low | 25.2 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | cis | -178.3 | 179.8 | -20 | 51.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1447 | S | 28.2 | Very low | 25.2 | Very low | 100 Ų | 100 | 127.6 Ų | 127.6 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | trans | 79.3 | 148.5 | 165.1 | 75.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 1448 | N | 24.9 | Very low | 25.1 | Very low | 145 Ų | 145 | 127 Ų | 127 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | cis | -156 | 159.7 | -23 | -93.3 | -6.1 | 0 | 0 | 0 | 105.3 | ||||
| 1449 | D | 27.8 | Very low | 25.2 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | -156 | 144.1 | 51.7 | -77.3 | -50 | 0 | 0 | 0 | 108.8 | |||||
| 1450 | A | 26.3 | Very low | 25.1 | Very low | 80 Ų | 80 | 129.4 Ų | 129.4 | 66% | 0.661 | 75% | 0.745 | S | S | * | * | 46.2 | 128.7 | 96.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1451 | D | 27.8 | Very low | 25.1 | Very low | 157 Ų | 157 | 129.6 Ų | 129.6 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | cis | -144.4 | -159.6 | -0.5 | -83.8 | -39.8 | 0 | 0 | 0 | 108.4 | ||||
| 1452 | D | 29.2 | Very low | 25.1 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | cis | -158.3 | -170.2 | 14.8 | -168.4 | 12.8 | 0 | 0 | 0 | 111.6 | ||||
| 1453 | Q | 23.4 | Very low | 25.4 | Very low | 156 Ų | 156 | 127.2 Ų | 127.2 | 73% | 0.729 | 75% | 0.745 | S | S | * | * | trans | -107 | 155.5 | -163 | -54.2 | 165.3 | 31.2 | 0 | 0 | 112.8 | ||||
| 1454 | T | 26.9 | Very low | 25.3 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | 175.6 | 162.7 | 79.1 | 34.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1455 | T | 24.5 | Very low | 25.3 | Very low | 121 Ų | 121 | 130 Ų | 130 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | -29.6 | 167.7 | 160.5 | 56.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1456 | C | 20.7 | Very low | 25 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 72% | 0.716 | 76% | 0.76 | S | S | * | * | cis | -176.1 | 175 | -16.2 | -96 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1457 | T | 22.9 | Very low | 24.8 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | trans | 66.6 | 102.6 | 151.6 | 42.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1458 | I | 21.7 | Very low | 24.6 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | 29.3 | 128.8 | 122.6 | -55.9 | 169.6 | 0 | 0 | 0 | 120.9 | |||||
| 1459 | F | 23.1 | Very low | 24.6 | Very low | 204 Ų | 204 | 130.9 Ų | 130.9 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | -164.1 | 172.4 | 129.3 | -106.7 | -65.3 | 0 | 0 | 0 | 113 | |||||
| 1460 | T | 22.6 | Very low | 24.4 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | -146.1 | 135.2 | -155.8 | 56.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1461 | S | 24.5 | Very low | 24.3 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 170.8 | 152.7 | 151.1 | 54.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1462 | S | 24 | Very low | 24.1 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | cis | 175.9 | -172.1 | -16.8 | 67.7 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1463 | P | 31.8 | Very low | 23.8 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | -128.9 | 170 | -121.1 | 38.6 | -19.5 | 0 | 0 | 0 | 118 | |||||
| 1464 | N | 22.4 | Very low | 24 | Very low | 153 Ų | 153 | 134.3 Ų | 134.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 159.4 | 133.4 | 130.5 | -83.6 | -23.7 | 0 | 0 | 0 | 114.5 | ||||
| 1465 | T | 26 | Very low | 23.7 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | 167.9 | 146.6 | 132.5 | -67.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1466 | C | 20 | Very low | 23.8 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -96.6 | 139.4 | -165.9 | -53.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1467 | T | 22.3 | Very low | 23.8 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | -172.6 | 161.5 | 127 | 18.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1468 | P | 24.1 | Very low | 23.9 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -120.8 | -174.6 | -160.4 | 44.1 | -33.7 | 0 | 0 | 0 | 115 | ||||
| 1469 | P | 23.8 | Very low | 24 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | cis | -124.3 | 143.9 | -47.7 | 34.5 | -20.7 | 0 | 0 | 0 | 111.7 | ||||
| 1470 | A | 23.8 | Very low | 24 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | trans | -88.5 | 152.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1471 | V | 24.4 | Very low | 24.1 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -65.8 | 132.5 | 169.5 | 175.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1472 | Y | 24 | Very low | 24.1 | Very low | 203 Ų | 203 | 145.1 Ų | 145.1 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | -107.3 | 119.9 | -173.1 | -147.6 | -90.4 | 0 | 0 | 0 | 112.2 | P1474 | Y1472-P1474 HydrophobicContact CE1-CB 4.26Š| ||
| 1473 | R | 23.8 | Very low | 24.4 | Very low | 204 Ų | 204 | 146.5 Ų | 146.5 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -124.7 | 124.3 | 160.2 | -139.4 | -171.9 | -163.4 | -165.9 | 5.9 | 105.7 | ||||
| 1474 | P | 26.5 | Very low | 24.1 | Very low | 96 Ų | 96 | 150.6 Ų | 150.6 | 62% | 0.623 | 80% | 0.799 | S | S | * | * | trans | -79.8 | 121.9 | 177.2 | 30 | -31 | 0 | 0 | 0 | 110 | Y1472 | Y1472-P1474 HydrophobicContact CE1-CB 4.26Š| ||
| 1475 | D | 21.7 | Very low | 24.4 | Very low | 158 Ų | 158 | 149 Ų | 149 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -69.4 | 133.8 | 167.8 | -69 | -46.2 | 0 | 0 | 0 | 110.2 | ||||
| 1476 | L | 24.7 | Very low | 24.4 | Very low | 138 Ų | 138 | 150.6 Ų | 150.6 | 72% | 0.723 | 80% | 0.798 | S | S | * | * | trans | -134.2 | 100 | 167.9 | -108.3 | 165.3 | 0 | 0 | 0 | 108.7 | F1478 | L1476-F1478 HydrophobicContact CB-CE2 4.3Å; L1476-F1478 PolarHBondContact O-N 3.2Å | ||
| 1477 | K | 21.6 | Very low | 24.9 | Very low | 192 Ų | 192 | 152 Ų | 152 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 122.4 | 172.2 | -65.9 | -178.1 | 177.6 | -175.7 | 0 | 108.8 | ||
| 1478 | F | 25.5 | Very low | 25.1 | Very low | 169 Ų | 169 | 153.2 Ų | 153.2 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 117.1 | 164.2 | -76.9 | -86.8 | 0 | 0 | 0 | 108.9 | L1476 | L1476-F1478 HydrophobicContact CB-CE2 4.3Å; L1476-F1478 PolarHBondContact O-N 3.2Å |
| 1479 | H | 23 | Very low | 25.3 | Very low | 169 Ų | 169 | 154.3 Ų | 154.3 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 126.9 | 160.6 | -88.1 | -90.9 | 0 | 0 | 0 | 108.1 | ||
| 1480 | F | 23.9 | Very low | 25.8 | Very low | 172 Ų | 172 | 154.8 Ų | 154.8 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 135.7 | 151.3 | -80.6 | -92.8 | 0 | 0 | 0 | 107.9 | ||
| 1481 | N | 23.5 | Very low | 26 | Very low | 151 Ų | 151 | 157.5 Ų | 157.5 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -156.2 | 85.3 | 168.1 | -115.2 | 31.5 | 0 | 0 | 0 | 105.7 | ||||
| 1482 | D | 24.9 | Very low | 26.2 | Very low | 138 Ų | 138 | 157.7 Ų | 157.7 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | -90 | 126.6 | 173.9 | -61.3 | -57 | 0 | 0 | 0 | 108.7 | ||||
| 1483 | T | 29.8 | Very low | 26.5 | Very low | 142 Ų | 142 | 158.2 Ų | 158.2 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | trans | -143.3 | 120.2 | 162.8 | 32.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1484 | E | 25.8 | Very low | 26.8 | Very low | 189 Ų | 189 | 155 Ų | 155 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -84.8 | 157.5 | 178.2 | -60.9 | 169.6 | 137.3 | 0 | 0 | 110.6 | ||||
| 1485 | S | 30.2 | Very low | 27 | Very low | 119 Ų | 119 | 158.9 Ų | 158.9 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -159.2 | 111.8 | 147.8 | 56.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1486 | E | 25.9 | Very low | 27.6 | Very low | 179 Ų | 179 | 158.5 Ų | 158.5 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -79 | 149.1 | 162.5 | -60.1 | -173.9 | 127.2 | 0 | 0 | 109.5 | ||||
| 1487 | N | 30.1 | Very low | 28.1 | Very low | 146 Ų | 146 | 157.7 Ų | 157.7 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -179.2 | 111.6 | 134.9 | -91.5 | -18.3 | 0 | 0 | 0 | 111 | ||||
| 1488 | E | 25.4 | Very low | 28.6 | Very low | 173 Ų | 173 | 157 Ų | 157 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | 54.7 | 151.3 | 134.1 | -56.1 | -171.6 | 134.6 | 0 | 0 | 123.3 | ||||
| 1489 | D | 29.9 | Very low | 29 | Very low | 135 Ų | 135 | 156.2 Ų | 156.2 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | 82.9 | 109 | 154.9 | -77.6 | 0.3 | 0 | 0 | 0 | 124.8 | ||||
| 1490 | I | 32.7 | Very low | 29.8 | Very low | 134 Ų | 134 | 153.4 Ų | 153.4 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | 81.2 | 94.9 | 129.1 | -57.4 | 167.6 | 0 | 0 | 0 | 119.3 | |||||
| 1491 | D | 28.5 | Very low | 30.2 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | trans | 57.9 | 160.2 | 132.5 | -71.7 | -40 | 0 | 0 | 0 | 124.8 | ||||
| 1492 | D | 29.6 | Very low | 30.6 | Very low | 154 Ų | 154 | 146.6 Ų | 146.6 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | 67.4 | 48.1 | 156.8 | -87.9 | -4.6 | 0 | 0 | 0 | 121.1 | ||||
| 1493 | R | 30.1 | Very low | 30.9 | Very low | 214 Ų | 214 | 146.9 Ų | 146.9 | 81% | 0.808 | 72% | 0.721 | S | S | * | * | trans | -136.2 | 39.7 | 149.3 | -73.5 | -156 | -179.5 | -162.6 | 2.8 | 116.5 | Q1495 | R1493-Q1495 PolarHBondContact O-N 2.97Š| ||
| 1494 | N | 29.1 | Very low | 30.9 | Very low | 135 Ų | 135 | 148.7 Ų | 148.7 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 39.3 | -176.7 | -122.1 | -37.6 | 0 | 0 | 0 | 116.2 | ||
| 1495 | Q | 32.2 | Very low | 31.1 | Very low | 179 Ų | 179 | 148.6 Ų | 148.6 | 84% | 0.836 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.1 | 10 | 176.4 | -155.7 | 157.2 | 6.6 | 0 | 0 | 115.6 | R1493 | R1493-Q1495 PolarHBondContact O-N 2.97Š|
| 1496 | Q | 34.2 | Very low | 31 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 70% | 0.696 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -117.7 | 3.7 | 163.9 | -87.4 | -175.5 | -46.3 | 0 | 0 | 114.2 | ||
| 1497 | Q | 35.1 | Very low | 31 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 57% | 0.57 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -99.4 | 1.2 | -175.9 | -149.8 | 138 | -23.3 | 0 | 0 | 114.6 | ||
| 1498 | R | 31.8 | Very low | 30.8 | Very low | 176 Ų | 176 | 146.4 Ų | 146.4 | 66% | 0.664 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -14.2 | 174.8 | -104 | 176.5 | -81.5 | -146 | -5.2 | 114.9 | ||
| 1499 | E | 32.8 | Very low | 30.8 | Very low | 154 Ų | 154 | 143.2 Ų | 143.2 | 72% | 0.72 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -13.5 | 178.5 | -64.7 | -175.3 | 123.4 | 0 | 0 | 113.7 | ||
| 1500 | I | 39.5 | Very low | 30.5 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 56% | 0.559 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -42.9 | 179.9 | -63.9 | 176 | 0 | 0 | 0 | 111.4 | E1502 Q1503 R1504 | I1500-E1502 PolarHBondContact O-N 3.45Å; I1500-Q1503 PolarHBondContact O-N 3.29Å; I1500-R1504 PolarHBondContact O-N 3.05Å |
| 1501 | E | 33.1 | Very low | 30.1 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 58% | 0.579 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -60.9 | -31 | 177.2 | -161.4 | 125.8 | -92.6 | 0 | 0 | 112 | Q1503 R1504 | E1501-Q1503 VanDerWaalsContact C-N 3.3Å; E1501-Q1503 PolarHBondContact O-N 2.89Å; E1501-R1504 PolarHBondContact O-N 3.46Å |
| 1502 | E | 32.6 | Very low | 29.9 | Very low | 56 Ų | 56 | 143.6 Ų | 143.6 | 26% | 0.262 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -77.5 | -11 | 177.3 | -121.4 | -150.3 | 175.7 | 0 | 0 | 114.3 | K1385 L1386 I1500 | K1385-E1502 WeakPolarHBondContact CD-OE2 3.33Å; K1385-E1502 WeakPolarHBondContact CE-OE1 3.23Å; K1385-E1502 WeakPolarHBondContact CE-OE2 3.26Å; K1385-E1502 PolarHBondContact NZ-O 3.33Å; K1385-E1502 IonicContact NZ-OE1 3.2Å; K1385-E1502 IonicContact NZ-OE2 3.47Å; K1385-E1502 PolarHBondContact NZ-OE2 2.94Å; L1386-E1502 VanDerWaalsContact CD1-CD 3.48Å; L1386-E1502 WeakPolarHBondContact CD1-OE1 3.46Å; L1386-E1502 WeakPolarHBondContact CD1-OE2 3.11Å; L1386-E1502 WeakPolarHBondContact CD2-OE1 3.39Å; L1386-E1502 WeakPolarHBondContact CG-OE1 3.44Å; I1500-E1502 PolarHBondContact O-N 3.45Å |
| 1503 | Q | 30.4 | Very low | 29.6 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -90.1 | -22 | 168.9 | -65.3 | -172.5 | 8.5 | 0 | 0 | 112 | I1500 E1501 Q1506 | I1500-Q1503 PolarHBondContact O-N 3.29Å; E1501-Q1503 VanDerWaalsContact C-N 3.3Å; E1501-Q1503 PolarHBondContact O-N 2.89Å; Q1503-Q1506 PolarHBondContact O-N 3.32Å |
| 1504 | R | 29.9 | Very low | 29.2 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 68% | 0.679 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -77.7 | -19 | 177.8 | -80.3 | -177.6 | 165.3 | 175 | -5.2 | 114.8 | I1500 E1501 Q1506 S1507 | I1500-R1504 PolarHBondContact O-N 3.05Å; E1501-R1504 PolarHBondContact O-N 3.46Å; R1504-Q1506 PolarHBondContact O-N 3.5Å; R1504-S1507 PolarHBondContact O-N 3.47Å; R1504-S1507 PolarHBondContact O-OG 3.25Å |
| 1505 | K | 29.6 | Very low | 29.1 | Very low | 186 Ų | 186 | 141 Ų | 141 | 81% | 0.809 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 10.9 | 169.7 | -74.1 | -176.1 | 176.2 | 173.8 | 0 | 114.7 | ||
| 1506 | Q | 28.4 | Very low | 28.7 | Very low | 139 Ų | 139 | 140 Ų | 140 | 65% | 0.65 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | 8.3 | 168.4 | -74.6 | -174.3 | -22.2 | 0 | 0 | 113.9 | Q1503 R1504 | Q1503-Q1506 PolarHBondContact O-N 3.32Å; R1504-Q1506 PolarHBondContact O-N 3.5Å |
| 1507 | S | 25.8 | Very low | 28.2 | Very low | 66 Ų | 66 | 140.8 Ų | 140.8 | 46% | 0.462 | 69% | 0.692 | S | S | . | * | trans | -102.3 | -7.6 | -179.7 | 40.6 | 0 | 0 | 0 | 0 | 116.4 | R1504 C1509 | R1504-S1507 PolarHBondContact O-N 3.47Å; R1504-S1507 PolarHBondContact O-OG 3.25Å; S1507-C1509 PolarHBondContact O-N 3.18Å | ||
| 1508 | E | 25.7 | Very low | 27.7 | Very low | 193 Ų | 193 | 138.8 Ų | 138.8 | 90% | 0.902 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 45.1 | 175.2 | -66.8 | -166.9 | 122.8 | 0 | 0 | 113.7 | ||
| 1509 | C | 26.8 | Very low | 27.4 | Very low | 106 Ų | 106 | 136 Ų | 136 | 72% | 0.716 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.8 | 28.4 | 175.3 | -148 | 0 | 0 | 0 | 0 | 114.6 | S1507 | S1507-C1509 PolarHBondContact O-N 3.18Š|
| 1510 | H | 23.8 | Very low | 27.1 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 62% | 0.62 | 69% | 0.691 | S | S | * | * | trans | -103.7 | 7.9 | -172.3 | -92.5 | -77.7 | 0 | 0 | 0 | 117.1 | ||||
| 1511 | M | 23.6 | Very low | 26.3 | Very low | 179 Ų | 179 | 134.9 Ų | 134.9 | 88% | 0.882 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -95.3 | 25.8 | 169.8 | -107 | -110.8 | 64.1 | 0 | 0 | 113.9 | ||
| 1512 | C | 24.2 | Very low | 25.9 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 78% | 0.784 | 71% | 0.706 | S | S | * | * | trans | -135.9 | 48.3 | 177.4 | -86.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1513 | K | 22.9 | Very low | 25.6 | Very low | 156 Ų | 156 | 137 Ų | 137 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | trans | -138.6 | 37.5 | -175.2 | -144.4 | 171.3 | -174.4 | 175.9 | 0 | 116.3 | ||||
| 1514 | L | 22.5 | Very low | 25.5 | Very low | 180 Ų | 180 | 136.1 Ų | 136.1 | 94% | 0.942 | 74% | 0.736 | S | S | * | * | trans | -104.9 | 67.9 | 159.3 | -136.7 | 83 | 0 | 0 | 0 | 110.2 | L1516 | L1514-L1516 PolarHBondContact O-N 3.22Š| ||
| 1515 | T | 26.4 | Very low | 25.4 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 69% | 0.693 | 74% | 0.736 | S | S | * | * | trans | -72.2 | 119 | 177.4 | -53.1 | 0 | 0 | 0 | 0 | 109.7 | L1517 | T1515-L1517 PolarHBondContact O-N 2.93Š| ||
| 1516 | L | 24.3 | Very low | 25.3 | Very low | 158 Ų | 158 | 127.8 Ų | 127.8 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | trans | -55.6 | 125 | 164.9 | -81.5 | 168.9 | 0 | 0 | 0 | 108.9 | L1514 M1518 | L1514-L1516 PolarHBondContact O-N 3.22Å; L1516-M1518 VanDerWaalsContact C-N 3.34Å; L1516-M1518 PolarHBondContact O-N 3.34Å | ||
| 1517 | L | 24.1 | Very low | 25 | Very low | 164 Ų | 164 | 125.1 Ų | 125.1 | 86% | 0.859 | 72% | 0.715 | S | S | * | * | trans | -74.2 | 84.1 | -165 | -126.9 | 155.9 | 0 | 0 | 0 | 111.4 | T1515 | T1515-L1517 PolarHBondContact O-N 2.93Š| ||
| 1518 | M | 23.6 | Very low | 25.1 | Very low | 81 Ų | 81 | 126.8 Ų | 126.8 | 40% | 0.399 | 73% | 0.727 | S | S | . | * | trans | -101.2 | 125.7 | 165.6 | -72.2 | -67.3 | 150.5 | 0 | 0 | 108.6 | L922 L1516 T1520 | L922-M1518 HydrophobicContact CD1-CE 3.98Å; L922-M1518 HydrophobicContact CD1-CG 3.93Å; L922-M1518 HydrophobicContact CD1-SD 3.51Å; L922-M1518 VanDerWaalsContact CD1-SD 3.51Å; L922-M1518 HydrophobicContact CD2-CE 3.96Å; L922-M1518 HydrophobicContact CG-CE 3.7Å; L922-M1518 HydrophobicContact CG-SD 3.85Å; L1516-M1518 VanDerWaalsContact C-N 3.34Å; L1516-M1518 PolarHBondContact O-N 3.34Å; M1518-T1520 PolarHBondContact O-N 3.16Å | ||
| 1519 | P | 25.7 | Very low | 25 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | trans | -71 | 99.5 | -179.6 | 28.4 | -33.1 | 0 | 0 | 0 | 109.9 | P1521 | P1519-P1521 WeakPolarHBondContact O-CD 3.21Š| ||
| 1520 | T | 25.3 | Very low | 24.9 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 120.7 | 164.6 | 48.5 | 0 | 0 | 0 | 0 | 108.7 | M1518 | M1518-T1520 PolarHBondContact O-N 3.16Š|
| 1521 | P | 24.3 | Very low | 25 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 148.3 | 166.3 | 28.4 | -33.7 | 0 | 0 | 0 | 108.9 | P1519 | P1519-P1521 WeakPolarHBondContact O-CD 3.21Š|
| 1522 | P | 24.5 | Very low | 25.1 | Very low | 112 Ų | 112 | 122 Ų | 122 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 148.3 | 178.2 | 27.3 | -34.7 | 0 | 0 | 0 | 110.5 | ||
| 1523 | P | 25.6 | Very low | 25 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 74% | 0.74 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -63 | 136.1 | 177.2 | 27.8 | -34.2 | 0 | 0 | 0 | 109.8 | D1525 | P1523-D1525 PolarHBondContact O-N 3.37Š|
| 1524 | P | 29.1 | Very low | 25.1 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 116.2 | 169.6 | 28.8 | -31.8 | 0 | 0 | 0 | 108.5 | S1526 | P1524-S1526 PolarHBondContact O-N 3.49Š|
| 1525 | D | 27.8 | Very low | 25.2 | Very low | 129 Ų | 129 | 115.5 Ų | 115.5 | 69% | 0.69 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 127 | 165.7 | -102.6 | -60.4 | 0 | 0 | 0 | 109.9 | K1378 P1523 | K1378-D1525 IonicContact NZ-OD1 2.75Å; K1378-D1525 PolarHBondContact NZ-OD1 2.99Å; P1523-D1525 PolarHBondContact O-N 3.37Å |
| 1526 | S | 26 | Very low | 25.3 | Very low | 62 Ų | 62 | 119.6 Ų | 119.6 | 43% | 0.434 | 71% | 0.713 | S | S | . | * | trans | -64.1 | -173.2 | 164.8 | 48 | 0 | 0 | 0 | 0 | 111.4 | K1378 P1524 | K1378-S1526 WeakPolarHBondContact CE-O 3.07Å; K1378-S1526 VanDerWaalsContact CE-OG 3.32Å; K1378-S1526 WeakPolarHBondContact CE-OG 3.48Å; K1378-S1526 VanDerWaalsContact CG-OG 3.28Å; K1378-S1526 WeakPolarHBondContact CG-OG 3.46Å; K1378-S1526 VanDerWaalsContact NZ-C 3.34Å; K1378-S1526 PolarHBondContact NZ-O 2.83Å; K1378-S1526 PolarHBondContact NZ-OG 3Å; P1524-S1526 PolarHBondContact O-N 3.49Å | ||
| 1527 | S | 23.7 | Very low | 25.3 | Very low | 83 Ų | 83 | 120.9 Ų | 120.9 | 58% | 0.58 | 72% | 0.717 | S | S | * | * | trans | 64.2 | 51.6 | -171.3 | 80.6 | 0 | 0 | 0 | 0 | 116.4 | K1378 | K1378-S1527 WeakPolarHBondContact CE-OG 3.11Š| ||
| 1528 | S | 26.4 | Very low | 25.7 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | -137.6 | 100 | 132.4 | 69.5 | 0 | 0 | 0 | 0 | 110.5 | M1530 | S1528-M1530 VanDerWaalsContact C-N 3.29Å; S1528-M1530 PolarHBondContact O-N 2.89Å | ||
| 1529 | V | 25.2 | Very low | 26.5 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 64% | 0.642 | 74% | 0.741 | S | S | * | * | trans | -77.1 | 82.2 | 175.2 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | F1376 | F1376-V1529 HydrophobicContact CD1-CG2 4.46Å; F1376-V1529 HydrophobicContact CE1-CG2 4.17Å | ||
| 1530 | M | 24.5 | Very low | 27.7 | Very low | 159 Ų | 159 | 126.8 Ų | 126.8 | 78% | 0.783 | 73% | 0.729 | S | S | * | * | trans | -95.3 | 106.2 | 163.4 | -86.4 | -94.9 | -179.8 | 0 | 0 | 108.7 | S1528 V1532 | S1528-M1530 VanDerWaalsContact C-N 3.29Å; S1528-M1530 PolarHBondContact O-N 2.89Å; M1530-V1532 HydrophobicContact CB-CG2 4.32Å; M1530-V1532 PolarHBondContact O-N 2.79Å | ||
| 1531 | T | 24.6 | Very low | 29.8 | Very low | 129 Ų | 129 | 122.3 Ų | 122.3 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | trans | -69.6 | 81.2 | 167.9 | 45.5 | 0 | 0 | 0 | 0 | 110 | S1533 | T1531-S1533 PolarHBondContact O-N 2.8Å; T1531-S1533 VanDerWaalsContact O-N 3.08Å | ||
| 1532 | V | 25.8 | Very low | 32.4 | Very low | 117 Ų | 117 | 122.3 Ų | 122.3 | 71% | 0.709 | 69% | 0.687 | S | S | * | * | trans | -68.6 | 106 | 174.4 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | M1530 | M1530-V1532 HydrophobicContact CB-CG2 4.32Å; M1530-V1532 PolarHBondContact O-N 2.79Å | ||
| 1533 | S | 22.1 | Very low | 35.3 | Very low | 90 Ų | 90 | 117.8 Ų | 117.8 | 63% | 0.629 | 66% | 0.658 | S | S | * | * | trans | -56.9 | 154.4 | 169.8 | -65.4 | 0 | 0 | 0 | 0 | 110.4 | T1531 S1535 | T1531-S1533 PolarHBondContact O-N 2.8Å; T1531-S1533 VanDerWaalsContact O-N 3.08Å; S1533-S1535 PolarHBondContact O-N 3.02Å | ||
| 1534 | P | 26.6 | Very low | 38.4 | Very low | 135 Ų | 135 | 113.8 Ų | 113.8 | 88% | 0.877 | 63% | 0.628 | S | S | * | * | trans | -69.4 | 73.9 | -176.6 | 28.4 | -36 | 0 | 0 | 0 | 112.7 | K1536 | P1534-K1536 VanDerWaalsContact C-N 3.31Å; P1534-K1536 PolarHBondContact O-N 3.36Å | ||
| 1535 | S | 23.7 | Very low | 41.3 | Very low | 92 Ų | 92 | 107.9 Ų | 107.9 | 64% | 0.643 | 59% | 0.589 | S | S | * | * | trans | -82.3 | 69.6 | -171.9 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | S1533 M1537 | S1533-S1535 PolarHBondContact O-N 3.02Å; S1535-M1537 PolarHBondContact O-N 3.05Å | ||
| 1536 | K | 27.8 | Very low | 44.2 | Very low | 199 Ų | 199 | 102.5 Ų | 102.5 | 87% | 0.865 | 56% | 0.56 | S | S | * | * | trans | 32.1 | 63.1 | 156.2 | -62 | 179.5 | -179.9 | 174.7 | 0 | 115.4 | P1534 K1538 | P1534-K1536 VanDerWaalsContact C-N 3.31Å; P1534-K1536 PolarHBondContact O-N 3.36Å; K1536-K1538 PolarHBondContact O-N 3.35Å | ||
| 1537 | M | 25.8 | Very low | 47 | Very low | 185 Ų | 185 | 103.1 Ų | 103.1 | 91% | 0.911 | 56% | 0.556 | S | S | * | * | trans | -56.1 | 125.5 | 153.6 | -87.1 | -165.9 | 167.1 | 0 | 0 | 107.3 | S1535 K1539 | S1535-M1537 PolarHBondContact O-N 3.05Å; M1537-K1539 PolarHBondContact O-N 3Å | ||
| 1538 | K | 31.4 | Very low | 49.9 | Very low | 201 Ų | 201 | 101.4 Ų | 101.4 | 87% | 0.874 | 54% | 0.54 | S | S | * | . | trans | -61.7 | 107.6 | 170.3 | -71.8 | 179.7 | 178.1 | 177.6 | 0 | 106.3 | K1536 V1540 | K1536-K1538 PolarHBondContact O-N 3.35Å; K1538-V1540 PolarHBondContact O-N 3.15Å | ||
| 1539 | K | 39.9 | Very low | 52.5 | Low | 202 Ų | 202 | 96.7 Ų | 96.7 | 88% | 0.878 | 51% | 0.507 | S | S | * | . | trans | -51.7 | 110.9 | 170 | -83.6 | -161.6 | 170.6 | -160.1 | 0 | 107.3 | M1537 | M1537-K1539 PolarHBondContact O-N 3Š| ||
| 1540 | V | 52.6 | Low | 54.8 | Low | 83 Ų | 83 | 92.6 Ų | 92.6 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | trans | -63.8 | 124.1 | 169.2 | -173.1 | 0 | 0 | 0 | 0 | 105.2 | K1538 W1542 | K1538-V1540 PolarHBondContact O-N 3.15Å; V1540-W1542 HydrophobicContact CG1-CD2 4.2Å; V1540-W1542 HydrophobicContact CG1-CG 4.39Å; V1540-W1542 HydrophobicContact CG1-CZ2 3.95Å; V1540-W1542 PolarHBondContact O-N 3.33Å | ||
| 1541 | P | 69.5 | Low | 56.8 | Low | 32 Ų | 32 | 90 Ų | 90 | 21% | 0.208 | 47% | 0.47 | C | S | . | . | trans | -83 | 76.6 | -168.1 | 35.6 | -37.7 | 0 | 0 | 0 | 109.1 | L1017 N1019 | L1017-P1541 HydrophobicContact CB-CB 4.07Å; L1017-P1541 VanDerWaalsContact CB-O 3.3Å; L1017-P1541 WeakPolarHBondContact CB-O 3.37Å; L1017-P1541 HydrophobicContact CD1-CB 4.32Å; L1017-P1541 PolarHBondContact N-O 2.98Å; N1019-P1541 WeakPolarHBondContact OD1-CD 2.88Å; N1019-P1541 VanDerWaalsContact OD1-CG 3.27Å; N1019-P1541 WeakPolarHBondContact OD1-CG 3.39Å | ||
| 1542 | W | 77.3 | Confident | 58.2 | Low | 113 Ų | 113 | 87.1 Ų | 87.1 | 43% | 0.428 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 150.5 | 163.7 | -58.4 | -19.1 | 0 | 0 | 0 | 108.2 | F1014 Y1015 V1540 | F1014-W1542 HydrophobicContact CD2-CB 4.12Å; F1014-W1542 HydrophobicContact CD2-CD2 4.27Å; F1014-W1542 HydrophobicContact CD2-CG 4.06Å; F1014-W1542 HydrophobicContact CE2-CD2 4.04Å; F1014-W1542 HydrophobicContact CE2-CE3 4.36Å; F1014-W1542 HydrophobicContact CE2-CG 4.2Å; Y1015-W1542 CarbonylContact O-C 3.59Å; Y1015-W1542 WeakPolarHBondContact O-CA 3.47Å; V1540-W1542 HydrophobicContact CG1-CD2 4.2Å; V1540-W1542 HydrophobicContact CG1-CG 4.39Å; V1540-W1542 HydrophobicContact CG1-CZ2 3.95Å; V1540-W1542 PolarHBondContact O-N 3.33Å |
| 1543 | T | 86.1 | Confident | 59.3 | Low | 17 Ų | 17 | 89.6 Ų | 89.6 | 10% | 0.104 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 132.7 | 168 | -173.7 | 0 | 0 | 0 | 0 | 109.8 | W932 Y935 F1014 Y1015 L1017 E1547 | W932-T1543 HydrophobicContact CZ3-CG2 4.46Å; Y935-T1543 HydrophobicContact CE2-CG2 4.27Å; F1014-T1543 CarbonylContact C-O 3.33Å; F1014-T1543 VanDerWaalsContact CA-O 3.27Å; F1014-T1543 WeakPolarHBondContact CA-O 3.24Å; F1014-T1543 WeakPolarHBondContact CB-O 3.26Å; Y1015-T1543 PolarHBondContact N-O 2.61Å; Y1015-T1543 PolarHBondContact O-N 3.44Å; L1017-T1543 HydrophobicContact CD1-CG2 4.19Å; L1017-T1543 HydrophobicContact CD2-CG2 4.13Å; L1017-T1543 HydrophobicContact CG-CG2 4.11Å; T1543-E1547 WeakPolarHBondContact CA-OE2 3.34Å; T1543-E1547 VanDerWaalsContact CB-OE2 3.3Å; T1543-E1547 WeakPolarHBondContact CB-OE2 3.39Å; T1543-E1547 PolarHBondContact OG1-OE2 3.33Å |
| 1544 | Y | 89.8 | Confident | 60.7 | Low | 30 Ų | 30 | 86.7 Ų | 86.7 | 12% | 0.118 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 147 | 179.3 | -76.5 | -97.7 | 0 | 0 | 0 | 109.7 | Y935 H1011 F1014 F1546 E1547 N1668 | Y935-Y1544 PolarHBondContact OH-O 2.73Å; H1011-Y1544 VanDerWaalsContact O-CD1 3.31Å; H1011-Y1544 WeakPolarHBondContact O-CD1 3.32Å; F1014-Y1544 HydrophobicContact CB-CD1 3.71Å; F1014-Y1544 HydrophobicContact CB-CD2 4.2Å; F1014-Y1544 HydrophobicContact CB-CE1 3.83Å; F1014-Y1544 HydrophobicContact CB-CE2 4.29Å; F1014-Y1544 HydrophobicContact CB-CG 3.9Å; F1014-Y1544 HydrophobicContact CD1-CE1 4.13Å; F1014-Y1544 HydrophobicContact CG-CE1 4.25Å; Y1544-F1546 VanDerWaalsContact CB-CD1 3.41Å; Y1544-F1546 HydrophobicContact CD1-CE1 4.39Å; Y1544-F1546 HydrophobicContact CD2-CE1 4.3Å; Y1544-F1546 HydrophobicContact CG-CD1 4.19Å; Y1544-F1546 AromaticContact CG-CE1 3.81Å; Y1544-F1546 HydrophobicContact CG-CE1 3.81Å; Y1544-F1546 PolarHBondContact O-N 3.41Å; Y1544-E1547 PolarHBondContact N-OE2 2.96Å; Y1544-E1547 WeakPolarHBondContact O-CB 3.34Å; Y1544-E1547 PolarHBondContact O-N 3.18Å; Y1544-N1668 VanDerWaalsContact CE1-ND2 3.26Å; Y1544-N1668 WeakPolarHBondContact CE1-ND2 3.48Å; Y1544-N1668 WeakPolarHBondContact CE2-ND2 3.33Å |
| 1545 | L | 89.9 | Confident | 61.8 | Low | 0 Ų | 0 | 88.5 Ų | 88.5 | 0% | 0 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -53.3 | -35.1 | -179 | -76.4 | 173.1 | 0 | 0 | 0 | 112.9 | I929 Y935 I938 L939 L942 V1009 H1013 E1547 D1548 I1549 | I929-L1545 HydrophobicContact CD1-CD1 4.17Å; I929-L1545 HydrophobicContact CD1-CG 4.31Å; Y935-L1545 HydrophobicContact CD2-CD2 3.6Å; Y935-L1545 HydrophobicContact CD2-CG 4.19Å; Y935-L1545 HydrophobicContact CE2-CD2 3.47Å; Y935-L1545 VanDerWaalsContact CE2-CD2 3.47Å; Y935-L1545 HydrophobicContact CE2-CG 3.91Å; Y935-L1545 HydrophobicContact CG-CD2 4.23Å; I938-L1545 HydrophobicContact CB-CD1 4.36Å; I938-L1545 HydrophobicContact CG2-CD1 3.54Å; I938-L1545 HydrophobicContact CG2-CD2 4.44Å; L939-L1545 HydrophobicContact CB-CD2 3.94Å; L942-L1545 HydrophobicContact CD1-CB 4.47Å; L942-L1545 HydrophobicContact CD1-CD1 3.82Å; V1009-L1545 HydrophobicContact CG1-CD1 4.06Å; H1013-L1545 HydrophobicContact CB-CD1 3.73Å; H1013-L1545 HydrophobicContact CB-CG 4.42Å; H1013-L1545 PolarHBondContact O-N 3.27Å; H1013-L1545 VanDerWaalsContact O-N 3.1Å; L1545-E1547 VanDerWaalsContact C-N 3.27Å; L1545-E1547 PolarHBondContact O-N 3.26Å; L1545-D1548 PolarHBondContact O-N 3.17Å; L1545-I1549 HydrophobicContact CB-CD1 4.29Å; L1545-I1549 WeakPolarHBondContact O-CD1 3.48Å; L1545-I1549 WeakPolarHBondContact O-CG1 3.07Å; L1545-I1549 PolarHBondContact O-N 3.5Å |
| 1546 | F | 88.6 | Confident | 63.1 | Low | 17 Ų | 17 | 92.5 Ų | 92.5 | 8% | 0.075 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -59.8 | -33.3 | 178.1 | 79.7 | -99.6 | 0 | 0 | 0 | 113.9 | A1010 Y1544 I1549 F1550 M1626 N1668 | A1010-F1546 HydrophobicContact CB-CB 4.3Å; A1010-F1546 PolarHBondContact O-N 3.02Å; A1010-F1546 VanDerWaalsContact O-N 3.08Å; Y1544-F1546 VanDerWaalsContact CB-CD1 3.41Å; Y1544-F1546 HydrophobicContact CD1-CE1 4.39Å; Y1544-F1546 HydrophobicContact CD2-CE1 4.3Å; Y1544-F1546 HydrophobicContact CG-CD1 4.19Å; Y1544-F1546 AromaticContact CG-CE1 3.81Å; Y1544-F1546 HydrophobicContact CG-CE1 3.81Å; Y1544-F1546 PolarHBondContact O-N 3.41Å; F1546-I1549 PolarHBondContact O-N 3.03Å; F1546-F1550 HydrophobicContact CB-CD2 4.01Å; F1546-F1550 HydrophobicContact CB-CE2 3.89Å; F1546-F1550 HydrophobicContact CD2-CD2 4.36Å; F1546-F1550 WeakPolarHBondContact O-CB 3.28Å; F1546-F1550 WeakPolarHBondContact O-CD2 3.26Å; F1546-F1550 WeakPolarHBondContact O-CG 3.09Å; F1546-F1550 PolarHBondContact O-N 3.04Å; F1546-M1626 HydrophobicContact CB-CE 4.47Å; F1546-M1626 HydrophobicContact CB-CG 3.5Å; F1546-M1626 VanDerWaalsContact CB-CG 3.5Å; F1546-M1626 HydrophobicContact CB-SD 3.42Å; F1546-M1626 WeakPolarHBondContact CB-SD 3.39Å; F1546-M1626 HydrophobicContact CD1-CG 3.93Å; F1546-M1626 HydrophobicContact CD1-SD 4.02Å; F1546-M1626 HydrophobicContact CD2-CG 3.61Å; F1546-M1626 HydrophobicContact CE2-CG 4.31Å; F1546-M1626 HydrophobicContact CG-CG 3.41Å; F1546-M1626 VanDerWaalsContact CG-CG 3.41Å; F1546-M1626 HydrophobicContact CG-SD 3.79Å; F1546-N1668 HydrophobicContact CD1-CB 4.46Å; F1546-N1668 HydrophobicContact CE1-CB 3.68Å; F1546-N1668 HydrophobicContact CZ-CB 4.16Å |
| 1547 | E | 86.2 | Confident | 64.6 | Low | 75 Ų | 75 | 84 Ų | 84 | 35% | 0.35 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.6 | -53.6 | -179.2 | -60.7 | 177.9 | 130.3 | 0 | 0 | 109.8 | T1543 Y1544 L1545 I1549 F1550 D1551 | T1543-E1547 WeakPolarHBondContact CA-OE2 3.34Å; T1543-E1547 VanDerWaalsContact CB-OE2 3.3Å; T1543-E1547 WeakPolarHBondContact CB-OE2 3.39Å; T1543-E1547 PolarHBondContact OG1-OE2 3.33Å; Y1544-E1547 PolarHBondContact N-OE2 2.96Å; Y1544-E1547 WeakPolarHBondContact O-CB 3.34Å; Y1544-E1547 PolarHBondContact O-N 3.18Å; L1545-E1547 VanDerWaalsContact C-N 3.27Å; L1545-E1547 PolarHBondContact O-N 3.26Å; E1547-I1549 VanDerWaalsContact C-N 3.33Å; E1547-I1549 PolarHBondContact O-N 3.01Å; E1547-F1550 PolarHBondContact O-N 3.37Å; E1547-D1551 WeakPolarHBondContact O-CB 3.45Å; E1547-D1551 PolarHBondContact O-N 3.44Å |
| 1548 | D | 84.2 | Confident | 66.6 | Low | 47 Ų | 47 | 84.1 Ų | 84.1 | 25% | 0.251 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.8 | -23.7 | 177 | -85.5 | -47.1 | 0 | 0 | 0 | 113.8 | Y935 L939 K943 L1545 T1552 | Y935-D1548 WeakPolarHBondContact CE1-OD2 3.33Å; Y935-D1548 PolarHBondContact OH-OD2 3.16Å; L939-D1548 HydrophobicContact CD1-CB 3.79Å; L939-D1548 HydrophobicContact CD2-CB 3.69Å; L939-D1548 HydrophobicContact CG-CB 4.4Å; K943-D1548 WeakPolarHBondContact CE-O 3.49Å; K943-D1548 PolarHBondContact NZ-O 2.88Å; L1545-D1548 PolarHBondContact O-N 3.17Å; D1548-T1552 PolarHBondContact O-OG1 2.82Å |
| 1549 | I | 80.2 | Confident | 69.1 | Low | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.7 | -43.5 | 171.1 | -68.2 | 164.2 | 0 | 0 | 0 | 110.1 | L939 L942 I946 A1010 L1545 F1546 E1547 L1554 | L939-I1549 HydrophobicContact CD1-CB 4.5Å; L939-I1549 HydrophobicContact CD1-CD1 4.5Å; L939-I1549 HydrophobicContact CD1-CG1 3.51Å; L942-I1549 HydrophobicContact CB-CD1 4.08Å; L942-I1549 HydrophobicContact CD1-CD1 3.75Å; I946-I1549 HydrophobicContact CD1-CG2 3.9Å; A1010-I1549 HydrophobicContact CB-CD1 3.76Å; L1545-I1549 HydrophobicContact CB-CD1 4.29Å; L1545-I1549 WeakPolarHBondContact O-CD1 3.48Å; L1545-I1549 WeakPolarHBondContact O-CG1 3.07Å; L1545-I1549 PolarHBondContact O-N 3.5Å; F1546-I1549 PolarHBondContact O-N 3.03Å; E1547-I1549 VanDerWaalsContact C-N 3.33Å; E1547-I1549 PolarHBondContact O-N 3.01Å; I1549-L1554 WeakPolarHBondContact O-CB 3.35Å |
| 1550 | F | 75.2 | Confident | 71.1 | Confident | 20 Ų | 20 | 65.5 Ų | 65.5 | 9% | 0.088 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -99.2 | -8.3 | -171.4 | -57.5 | -48.7 | 0 | 0 | 0 | 115.5 | M1007 F1546 E1547 R1555 L1560 M1626 A1627 | M1007-F1550 HydrophobicContact CE-CZ 4.41Å; M1007-F1550 HydrophobicContact SD-CZ 4.16Å; F1546-F1550 HydrophobicContact CB-CD2 4.01Å; F1546-F1550 HydrophobicContact CB-CE2 3.89Å; F1546-F1550 HydrophobicContact CD2-CD2 4.36Å; F1546-F1550 WeakPolarHBondContact O-CB 3.28Å; F1546-F1550 WeakPolarHBondContact O-CD2 3.26Å; F1546-F1550 WeakPolarHBondContact O-CG 3.09Å; F1546-F1550 PolarHBondContact O-N 3.04Å; E1547-F1550 PolarHBondContact O-N 3.37Å; F1550-R1555 WeakPolarHBondContact O-CG 3.47Å; F1550-R1555 PolarHBondContact O-NE 2.93Å; F1550-L1560 HydrophobicContact CD1-CD1 4.44Å; F1550-L1560 HydrophobicContact CE1-CD1 3.55Å; F1550-L1560 HydrophobicContact CZ-CD1 4.3Å; F1550-M1626 VanDerWaalsContact CD2-O 3.3Å; F1550-M1626 WeakPolarHBondContact CD2-O 3.36Å; F1550-M1626 HydrophobicContact CE2-CE 4.12Å; F1550-M1626 HydrophobicContact CE2-CG 4.1Å; F1550-M1626 HydrophobicContact CZ-CE 4.49Å; F1550-A1627 HydrophobicContact CE1-CB 4.36Å; F1550-A1627 HydrophobicContact CE2-CB 4.24Å; F1550-A1627 HydrophobicContact CZ-CB 3.98Å |
| 1551 | D | 66.6 | Low | 72.4 | Confident | 105 Ų | 105 | 64.4 Ų | 64.4 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -87.9 | -21.4 | 172.5 | -91.1 | 13.9 | 0 | 0 | 0 | 114.5 | E1547 R1555 | E1547-D1551 WeakPolarHBondContact O-CB 3.45Å; E1547-D1551 PolarHBondContact O-N 3.44Å; D1551-R1555 IonicContact OD1-CZ 2.91Å; D1551-R1555 IonicContact OD1-NE 2.69Å; D1551-R1555 IonicContact OD1-NH2 3.89Å; D1551-R1555 PolarHBondContact OD1-NH2 3.29Å |
| 1552 | T | 52.1 | Low | 73.2 | Confident | 69 Ų | 69 | 65.8 Ų | 65.8 | 42% | 0.423 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -113.4 | 101.9 | -172.4 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | K943 D1548 L1554 | K943-T1552 PolarHBondContact NZ-OG1 2.78Å; D1548-T1552 PolarHBondContact O-OG1 2.82Å; T1552-L1554 PolarHBondContact O-N 3.03Å |
| 1553 | E | 50.3 | Low | 73.7 | Confident | 168 Ų | 168 | 62.8 Ų | 62.8 | 79% | 0.785 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 58.3 | -33.9 | 178.3 | -60.1 | -158.1 | 120.1 | 0 | 0 | 117.8 | R1555 K1556 | E1553-R1555 PolarHBondContact O-N 3.34Å; E1553-K1556 WeakPolarHBondContact O-CB 3.35Å; E1553-K1556 PolarHBondContact O-N 3.08Å |
| 1554 | L | 51.3 | Low | 73.6 | Confident | 29 Ų | 29 | 64.5 Ų | 64.5 | 15% | 0.152 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -65.9 | -7.2 | -177.9 | -82.3 | 125.3 | 0 | 0 | 0 | 115.1 | K943 I946 I1549 T1552 K1556 S1557 | K943-L1554 HydrophobicContact CD-CD1 3.71Å; K943-L1554 HydrophobicContact CG-CD1 3.75Å; I946-L1554 HydrophobicContact CB-CD2 4.45Å; I946-L1554 HydrophobicContact CD1-CD2 4.06Å; I946-L1554 HydrophobicContact CG2-CD2 3.8Å; I1549-L1554 WeakPolarHBondContact O-CB 3.35Å; T1552-L1554 PolarHBondContact O-N 3.03Å; L1554-K1556 PolarHBondContact O-N 3.02Å; L1554-S1557 VanDerWaalsContact O-CB 3.3Å; L1554-S1557 WeakPolarHBondContact O-CB 3.45Å; L1554-S1557 PolarHBondContact O-N 2.99Å; L1554-S1557 PolarHBondContact O-OG 3.21Å |
| 1555 | R | 50.1 | Low | 73.6 | Confident | 174 Ų | 174 | 63.1 Ų | 63.1 | 66% | 0.657 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -57.9 | -12.1 | 161.3 | -59.6 | -167.1 | 178.8 | -171.3 | -0.1 | 113.3 | F1550 D1551 E1553 | F1550-R1555 WeakPolarHBondContact O-CG 3.47Å; F1550-R1555 PolarHBondContact O-NE 2.93Å; D1551-R1555 IonicContact OD1-CZ 2.91Å; D1551-R1555 IonicContact OD1-NE 2.69Å; D1551-R1555 IonicContact OD1-NH2 3.89Å; D1551-R1555 PolarHBondContact OD1-NH2 3.29Å; E1553-R1555 PolarHBondContact O-N 3.34Å |
| 1556 | K | 49.5 | Very low | 73.7 | Confident | 175 Ų | 175 | 63.3 Ų | 63.3 | 76% | 0.761 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -101.5 | 1.1 | 172.5 | -61.8 | 176.2 | -179.5 | 170.6 | 0 | 114.1 | E1553 L1554 K1558 | E1553-K1556 WeakPolarHBondContact O-CB 3.35Å; E1553-K1556 PolarHBondContact O-N 3.08Å; L1554-K1556 PolarHBondContact O-N 3.02Å; K1556-K1558 PolarHBondContact O-N 3.1Å |
| 1557 | S | 59.6 | Low | 73.7 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | trans | -63 | 123.2 | 177.7 | 61 | 0 | 0 | 0 | 0 | 109.8 | E950 L1554 I1559 | E950-S1557 WeakPolarHBondContact OE1-CB 3.25Å; L1554-S1557 VanDerWaalsContact O-CB 3.3Å; L1554-S1557 WeakPolarHBondContact O-CB 3.45Å; L1554-S1557 PolarHBondContact O-N 2.99Å; L1554-S1557 PolarHBondContact O-OG 3.21Å; S1557-I1559 PolarHBondContact O-N 3.12Å | ||
| 1558 | K | 67.6 | Low | 73.7 | Confident | 187 Ų | 187 | 60.7 Ų | 60.7 | 81% | 0.813 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -17.3 | -169.8 | -70.6 | -173.5 | 178.3 | -177.3 | 0 | 112.5 | E950 K1556 | E950-K1558 PolarHBondContact OE1-N 2.74Å; K1556-K1558 PolarHBondContact O-N 3.1Å |
| 1559 | I | 84.3 | Confident | 74 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -46.7 | -176.6 | -168.1 | 172.6 | 0 | 0 | 0 | 112.9 | L949 E950 F953 S1557 G1561 N1562 F1565 | L949-I1559 HydrophobicContact CB-CD1 4.07Å; L949-I1559 WeakPolarHBondContact O-CD1 3.5Å; E950-I1559 HydrophobicContact CG-CB 3.98Å; E950-I1559 HydrophobicContact CG-CD1 4.45Å; E950-I1559 HydrophobicContact CG-CG2 3.5Å; F953-I1559 HydrophobicContact CB-CD1 3.51Å; F953-I1559 HydrophobicContact CB-CG1 4.1Å; F953-I1559 HydrophobicContact CD1-CD1 4.45Å; F953-I1559 HydrophobicContact CD1-CG1 4.1Å; F953-I1559 HydrophobicContact CG-CD1 3.92Å; F953-I1559 HydrophobicContact CG-CG1 3.97Å; S1557-I1559 PolarHBondContact O-N 3.12Å; I1559-G1561 PolarHBondContact O-N 3.19Å; I1559-N1562 WeakPolarHBondContact O-CB 3.34Å; I1559-N1562 PolarHBondContact O-N 2.97Å; I1559-F1565 HydrophobicContact CD1-CD2 3.44Å; I1559-F1565 VanDerWaalsContact CD1-CD2 3.44Å; I1559-F1565 HydrophobicContact CD1-CE2 3.59Å; I1559-F1565 HydrophobicContact CD1-CG 4.02Å; I1559-F1565 HydrophobicContact CD1-CZ 4.31Å; I1559-F1565 HydrophobicContact CG1-CB 3.8Å; I1559-F1565 HydrophobicContact CG1-CD1 3.98Å; I1559-F1565 HydrophobicContact CG1-CD2 3.43Å; I1559-F1565 VanDerWaalsContact CG1-CD2 3.43Å; I1559-F1565 HydrophobicContact CG1-CE1 4.44Å; I1559-F1565 HydrophobicContact CG1-CE2 3.92Å; I1559-F1565 HydrophobicContact CG1-CG 3.44Å; I1559-F1565 VanDerWaalsContact CG1-CG 3.44Å; I1559-F1565 HydrophobicContact CG1-CZ 4.4Å |
| 1560 | L | 81.7 | Confident | 74.6 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -27.4 | -171.5 | -59 | -175.7 | 0 | 0 | 0 | 113 | M1007 F1550 N1562 F1565 W1566 | M1007-L1560 HydrophobicContact CE-CD1 4.11Å; M1007-L1560 HydrophobicContact CE-CD2 3.66Å; F1550-L1560 HydrophobicContact CD1-CD1 4.44Å; F1550-L1560 HydrophobicContact CE1-CD1 3.55Å; F1550-L1560 HydrophobicContact CZ-CD1 4.3Å; L1560-N1562 VanDerWaalsContact C-N 3.25Å; L1560-N1562 PolarHBondContact O-N 3.2Å; L1560-F1565 HydrophobicContact CD2-CD1 4.23Å; L1560-F1565 HydrophobicContact CD2-CE1 3.53Å; L1560-F1565 HydrophobicContact CD2-CZ 4.08Å; L1560-W1566 HydrophobicContact CD2-CZ2 4.48Å; L1560-W1566 PolarHBondContact O-NE1 2.96Å |
| 1561 | G | 79.2 | Confident | 75.2 | Confident | 61 Ų | 61 | 57.6 Ų | 57.6 | 63% | 0.629 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1559 | I1559-G1561 PolarHBondContact O-N 3.19Š|
| 1562 | N | 86.6 | Confident | 76.1 | Confident | 61 Ų | 61 | 53.3 Ų | 53.3 | 33% | 0.326 | 27% | 0.265 | S | S | . | . | trans | -92.3 | 113.6 | -177 | -169.6 | -19.3 | 0 | 0 | 0 | 111.3 | F953 I1559 L1560 Q1564 F1565 | F953-N1562 WeakPolarHBondContact CE1-ND2 3.46Å; F953-N1562 WeakPolarHBondContact CZ-ND2 3.38Å; I1559-N1562 WeakPolarHBondContact O-CB 3.34Å; I1559-N1562 PolarHBondContact O-N 2.97Å; L1560-N1562 VanDerWaalsContact C-N 3.25Å; L1560-N1562 PolarHBondContact O-N 3.2Å; N1562-Q1564 PolarHBondContact O-N 3.06Å; N1562-Q1564 VanDerWaalsContact O-N 3.1Å; N1562-Q1564 WeakPolarHBondContact OD1-CB 3.42Å; N1562-Q1564 PolarHBondContact OD1-N 3.2Å; N1562-F1565 WeakPolarHBondContact O-CB 3.45Å; N1562-F1565 PolarHBondContact O-N 3.48Å; N1562-F1565 VanDerWaalsContact O-N 3.16Å | ||
| 1563 | L | 88.7 | Confident | 77.8 | Confident | 49 Ų | 49 | 50.6 Ų | 50.6 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.6 | -14.9 | 178.4 | -57.7 | 174.7 | 0 | 0 | 0 | 114 | M1624 V1629 K1637 | L1563-M1624 HydrophobicContact CD2-CE 3.71Å; L1563-V1629 HydrophobicContact CD2-CG1 4.03Å; L1563-K1637 HydrophobicContact CB-CD 4.16Å; L1563-K1637 WeakPolarHBondContact O-CE 3.28Å; L1563-K1637 PolarHBondContact O-NZ 3.48Å |
| 1564 | Q | 84.7 | Confident | 79.7 | Confident | 54 Ų | 54 | 42.6 Ų | 42.6 | 25% | 0.252 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -75.4 | -42.5 | 173.6 | -173.4 | 52.3 | 35.1 | 0 | 0 | 111.7 | F953 N1562 W1566 E1567 D1568 | F953-Q1564 HydrophobicContact CZ-CB 4.37Å; N1562-Q1564 PolarHBondContact O-N 3.06Å; N1562-Q1564 VanDerWaalsContact O-N 3.1Å; N1562-Q1564 WeakPolarHBondContact OD1-CB 3.42Å; N1562-Q1564 PolarHBondContact OD1-N 3.2Å; Q1564-W1566 PolarHBondContact O-N 3.4Å; Q1564-E1567 PolarHBondContact O-N 3.2Å; Q1564-D1568 WeakPolarHBondContact CG-OD2 3.41Å; Q1564-D1568 VanDerWaalsContact NE2-CG 3.32Å; Q1564-D1568 PolarHBondContact NE2-OD1 3.04Å; Q1564-D1568 PolarHBondContact NE2-OD2 3.17Å; Q1564-D1568 PolarHBondContact O-N 3.16Å |
| 1565 | F | 89 | Confident | 81.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.5 | -39.4 | 174.4 | 161.1 | -103.6 | 0 | 0 | 0 | 112.1 | F953 F1000 A1003 I1559 L1560 N1562 S1569 | F953-F1565 HydrophobicContact CD2-CB 4.02Å; F953-F1565 HydrophobicContact CD2-CD2 4.25Å; F953-F1565 HydrophobicContact CE2-CB 3.69Å; F953-F1565 HydrophobicContact CZ-CB 4.05Å; F1000-F1565 HydrophobicContact CD1-CD2 4.06Å; F1000-F1565 AromaticContact CD1-CE2 3.94Å; F1000-F1565 HydrophobicContact CD1-CE2 3.94Å; F1000-F1565 HydrophobicContact CE1-CD2 4.43Å; A1003-F1565 HydrophobicContact CB-CE2 4.26Å; A1003-F1565 HydrophobicContact CB-CZ 3.8Å; I1559-F1565 HydrophobicContact CD1-CD2 3.44Å; I1559-F1565 VanDerWaalsContact CD1-CD2 3.44Å; I1559-F1565 HydrophobicContact CD1-CE2 3.59Å; I1559-F1565 HydrophobicContact CD1-CG 4.02Å; I1559-F1565 HydrophobicContact CD1-CZ 4.31Å; I1559-F1565 HydrophobicContact CG1-CB 3.8Å; I1559-F1565 HydrophobicContact CG1-CD1 3.98Å; I1559-F1565 HydrophobicContact CG1-CD2 3.43Å; I1559-F1565 VanDerWaalsContact CG1-CD2 3.43Å; I1559-F1565 HydrophobicContact CG1-CE1 4.44Å; I1559-F1565 HydrophobicContact CG1-CE2 3.92Å; I1559-F1565 HydrophobicContact CG1-CG 3.44Å; I1559-F1565 VanDerWaalsContact CG1-CG 3.44Å; I1559-F1565 HydrophobicContact CG1-CZ 4.4Å; L1560-F1565 HydrophobicContact CD2-CD1 4.23Å; L1560-F1565 HydrophobicContact CD2-CE1 3.53Å; L1560-F1565 HydrophobicContact CD2-CZ 4.08Å; N1562-F1565 WeakPolarHBondContact O-CB 3.45Å; N1562-F1565 PolarHBondContact O-N 3.48Å; N1562-F1565 VanDerWaalsContact O-N 3.16Å; F1565-S1569 WeakPolarHBondContact CD2-OG 3.09Å; F1565-S1569 WeakPolarHBondContact CE2-OG 3.42Å; F1565-S1569 WeakPolarHBondContact CZ-OG 3.19Å; F1565-S1569 WeakPolarHBondContact O-CB 3.44Å; F1565-S1569 PolarHBondContact O-N 3.28Å; F1565-S1569 PolarHBondContact O-OG 2.78Å |
| 1566 | W | 91.5 | Very high | 82.5 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.8 | -33.2 | 177.4 | -66.1 | 102 | 0 | 0 | 0 | 113.4 | M1007 L1560 Q1564 F1570 M1620 F1623 M1624 A1627 V1629 | M1007-W1566 HydrophobicContact CE-CH2 4.28Å; L1560-W1566 HydrophobicContact CD2-CZ2 4.48Å; L1560-W1566 PolarHBondContact O-NE1 2.96Å; Q1564-W1566 PolarHBondContact O-N 3.4Å; W1566-F1570 VanDerWaalsContact O-CB 3.22Å; W1566-F1570 WeakPolarHBondContact O-CB 3.42Å; W1566-F1570 PolarHBondContact O-N 3.04Å; W1566-M1620 HydrophobicContact CB-SD 4.13Å; W1566-M1620 HydrophobicContact CE3-CG 4Å; W1566-M1620 HydrophobicContact CE3-SD 4.48Å; W1566-M1620 VanDerWaalsContact O-SD 3.39Å; W1566-F1623 HydrophobicContact CH2-CB 3.89Å; W1566-F1623 HydrophobicContact CZ3-CB 3.71Å; W1566-M1624 HydrophobicContact CB-CE 4.27Å; W1566-M1624 HydrophobicContact CB-SD 4.29Å; W1566-M1624 HydrophobicContact CD2-CE 4.42Å; W1566-M1624 HydrophobicContact CD2-CG 3.55Å; W1566-M1624 HydrophobicContact CD2-SD 4.22Å; W1566-M1624 HydrophobicContact CE3-CG 3.7Å; W1566-M1624 HydrophobicContact CG-CE 3.94Å; W1566-M1624 HydrophobicContact CG-CG 4.05Å; W1566-M1624 HydrophobicContact CG-SD 4.12Å; W1566-M1624 HydrophobicContact CH2-CG 4.17Å; W1566-M1624 HydrophobicContact CZ2-CG 4.05Å; W1566-M1624 HydrophobicContact CZ3-CG 4.01Å; W1566-A1627 HydrophobicContact CH2-CB 4.36Å; W1566-A1627 HydrophobicContact CZ2-CB 4Å; W1566-V1629 HydrophobicContact CZ2-CG2 4.43Å |
| 1567 | E | 89.8 | Confident | 84.2 | Confident | 22 Ų | 22 | 28.7 Ų | 28.7 | 10% | 0.103 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -73.5 | -42.1 | 173 | 174 | 161.9 | -157.7 | 0 | 0 | 112 | Q1564 F1570 L1571 K1637 L1641 K1644 | Q1564-E1567 PolarHBondContact O-N 3.2Å; E1567-F1570 PolarHBondContact O-N 3.48Å; E1567-L1571 HydrophobicContact CG-CD1 3.84Å; E1567-L1571 HydrophobicContact CG-CG 4.42Å; E1567-L1571 WeakPolarHBondContact O-CB 3.48Å; E1567-L1571 WeakPolarHBondContact O-CG 3.42Å; E1567-L1571 PolarHBondContact O-N 3.36Å; E1567-K1637 VanDerWaalsContact CB-CE 3.45Å; E1567-K1637 WeakPolarHBondContact OE2-CE 3.33Å; E1567-K1637 IonicContact OE2-NZ 3.59Å; E1567-K1637 PolarHBondContact OE2-NZ 3.24Å; E1567-L1641 HydrophobicContact CG-CD2 3.98Å; E1567-K1644 IonicContact OE1-NZ 3.29Å; E1567-K1644 PolarHBondContact OE1-NZ 2.97Å |
| 1568 | D | 85.8 | Confident | 85.1 | Confident | 15 Ų | 15 | 27.7 Ų | 27.7 | 8% | 0.08 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.6 | -37.6 | 175.6 | -68.1 | -50.7 | 0 | 0 | 0 | 111.9 | Q504 F1000 Q1564 L1571 D1572 | Q504-D1568 PolarHBondContact NE2-OD1 3.42Å; F1000-D1568 HydrophobicContact CD2-CB 3.96Å; F1000-D1568 HydrophobicContact CE2-CB 4.24Å; Q1564-D1568 WeakPolarHBondContact CG-OD2 3.41Å; Q1564-D1568 VanDerWaalsContact NE2-CG 3.32Å; Q1564-D1568 PolarHBondContact NE2-OD1 3.04Å; Q1564-D1568 PolarHBondContact NE2-OD2 3.17Å; Q1564-D1568 PolarHBondContact O-N 3.16Å; D1568-L1571 PolarHBondContact O-N 2.91Å; D1568-D1572 WeakPolarHBondContact O-CB 3.48Å; D1568-D1572 PolarHBondContact O-N 3.29Å |
| 1569 | S | 89.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 172.1 | -57 | 0 | 0 | 0 | 0 | 112.4 | F1565 T1573 | F1565-S1569 WeakPolarHBondContact CD2-OG 3.09Å; F1565-S1569 WeakPolarHBondContact CE2-OG 3.42Å; F1565-S1569 WeakPolarHBondContact CZ-OG 3.19Å; F1565-S1569 WeakPolarHBondContact O-CB 3.44Å; F1565-S1569 PolarHBondContact O-N 3.28Å; F1565-S1569 PolarHBondContact O-OG 2.78Å; S1569-T1573 VanDerWaalsContact O-CB 3.27Å; S1569-T1573 WeakPolarHBondContact O-CB 3.4Å; S1569-T1573 PolarHBondContact O-N 3.43Å; S1569-T1573 PolarHBondContact O-OG1 3.08Å |
| 1570 | F | 92.8 | Very high | 85 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.9 | -48 | 174.3 | 173.8 | -97.8 | 0 | 0 | 0 | 111.2 | L493 W1566 E1567 T1573 V1574 L1613 I1616 M1617 M1620 L1641 | L493-F1570 HydrophobicContact CD1-CE1 3.78Å; W1566-F1570 VanDerWaalsContact O-CB 3.22Å; W1566-F1570 WeakPolarHBondContact O-CB 3.42Å; W1566-F1570 PolarHBondContact O-N 3.04Å; E1567-F1570 PolarHBondContact O-N 3.48Å; F1570-T1573 PolarHBondContact O-N 3.17Å; F1570-V1574 HydrophobicContact CD1-CG2 4.32Å; F1570-V1574 HydrophobicContact CD2-CG2 4.33Å; F1570-V1574 HydrophobicContact CE1-CG2 3.92Å; F1570-V1574 HydrophobicContact CE2-CG2 3.9Å; F1570-V1574 HydrophobicContact CZ-CG2 3.68Å; F1570-V1574 WeakPolarHBondContact O-CB 3.46Å; F1570-V1574 VanDerWaalsContact O-CG2 3.25Å; F1570-V1574 WeakPolarHBondContact O-CG2 3.44Å; F1570-V1574 PolarHBondContact O-N 3.35Å; F1570-L1613 HydrophobicContact CZ-CD2 4.13Å; F1570-I1616 HydrophobicContact CD2-CB 4.31Å; F1570-I1616 HydrophobicContact CD2-CG2 3.6Å; F1570-I1616 HydrophobicContact CE2-CB 3.95Å; F1570-I1616 HydrophobicContact CE2-CG2 3.75Å; F1570-M1617 HydrophobicContact CD2-CG 4.21Å; F1570-M1617 HydrophobicContact CE1-CE 4.1Å; F1570-M1617 HydrophobicContact CE2-CB 4.39Å; F1570-M1617 HydrophobicContact CE2-CE 4.17Å; F1570-M1617 HydrophobicContact CE2-CG 3.41Å; F1570-M1617 VanDerWaalsContact CE2-CG 3.41Å; F1570-M1617 HydrophobicContact CZ-CE 3.54Å; F1570-M1617 HydrophobicContact CZ-CG 3.79Å; F1570-M1620 HydrophobicContact CB-CE 4.16Å; F1570-M1620 HydrophobicContact CB-SD 3.86Å; F1570-M1620 HydrophobicContact CD2-CE 3.89Å; F1570-M1620 HydrophobicContact CD2-SD 4.4Å; F1570-M1620 HydrophobicContact CG-CE 4.15Å; F1570-M1620 HydrophobicContact CG-SD 4.45Å; F1570-L1641 HydrophobicContact CD1-CD2 4.4Å |
| 1571 | L | 88.3 | Confident | 84.8 | Confident | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.9 | -42.2 | -178.3 | -70.1 | 167.8 | 0 | 0 | 0 | 113 | R491 L493 A502 E1567 D1568 A1575 | R491-L1571 HydrophobicContact CB-CB 4.08Å; R491-L1571 HydrophobicContact CB-CD1 4.49Å; R491-L1571 HydrophobicContact CB-CD2 4.24Å; R491-L1571 HydrophobicContact CG-CB 4.04Å; L493-L1571 HydrophobicContact CB-CD2 4.44Å; L493-L1571 HydrophobicContact CD1-CD2 3.99Å; A502-L1571 HydrophobicContact CB-CD1 3.48Å; A502-L1571 VanDerWaalsContact CB-CD1 3.48Å; A502-L1571 HydrophobicContact CB-CD2 3.6Å; A502-L1571 HydrophobicContact CB-CG 4.21Å; E1567-L1571 HydrophobicContact CG-CD1 3.84Å; E1567-L1571 HydrophobicContact CG-CG 4.42Å; E1567-L1571 WeakPolarHBondContact O-CB 3.48Å; E1567-L1571 WeakPolarHBondContact O-CG 3.42Å; E1567-L1571 PolarHBondContact O-N 3.36Å; D1568-L1571 PolarHBondContact O-N 2.91Å; L1571-A1575 WeakPolarHBondContact O-CB 3.28Å; L1571-A1575 PolarHBondContact O-N 2.86Å |
| 1572 | D | 84.8 | Confident | 84.4 | Confident | 15 Ų | 15 | 20.7 Ų | 20.7 | 8% | 0.08 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.1 | -37.3 | 174.6 | -81.3 | -3.9 | 0 | 0 | 0 | 111.4 | R491 G999 F1000 A1001 D1568 A1575 Q1576 | R491-D1572 IonicContact CZ-OD1 3.18Å; R491-D1572 VanDerWaalsContact CZ-OD1 3.26Å; R491-D1572 IonicContact NE-OD1 2.76Å; R491-D1572 PolarHBondContact NE-OD1 2.75Å; R491-D1572 IonicContact NH2-OD1 2.66Å; R491-D1572 PolarHBondContact NH2-OD1 3.23Å; G999-D1572 VanDerWaalsContact CA-OD2 3.25Å; G999-D1572 WeakPolarHBondContact CA-OD2 3.5Å; F1000-D1572 HydrophobicContact CB-CB 4.39Å; F1000-D1572 WeakPolarHBondContact CD2-OD2 3.27Å; F1000-D1572 PolarHBondContact N-OD2 2.87Å; A1001-D1572 HydrophobicContact CB-CB 4.35Å; D1568-D1572 WeakPolarHBondContact O-CB 3.48Å; D1568-D1572 PolarHBondContact O-N 3.29Å; D1572-A1575 PolarHBondContact O-N 2.85Å; D1572-Q1576 WeakPolarHBondContact O-CB 3.22Å; D1572-Q1576 PolarHBondContact O-N 3.35Å |
| 1573 | T | 89.2 | Confident | 83.9 | Confident | 11 Ų | 11 | 19 Ų | 19 | 7% | 0.067 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68 | -42.3 | 175.8 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | A1001 F1004 S1569 F1570 A1575 Q1576 E1577 I1616 | A1001-T1573 WeakPolarHBondContact CA-OG1 3.28Å; F1004-T1573 HydrophobicContact CB-CG2 4.13Å; F1004-T1573 HydrophobicContact CD1-CG2 3.98Å; F1004-T1573 HydrophobicContact CD2-CG2 4.35Å; F1004-T1573 WeakPolarHBondContact CD2-OG1 3.5Å; F1004-T1573 HydrophobicContact CG-CG2 3.9Å; F1004-T1573 WeakPolarHBondContact CG-OG1 3.23Å; S1569-T1573 VanDerWaalsContact O-CB 3.27Å; S1569-T1573 WeakPolarHBondContact O-CB 3.4Å; S1569-T1573 PolarHBondContact O-N 3.43Å; S1569-T1573 PolarHBondContact O-OG1 3.08Å; F1570-T1573 PolarHBondContact O-N 3.17Å; T1573-A1575 VanDerWaalsContact C-N 3.32Å; T1573-A1575 PolarHBondContact O-N 2.74Å; T1573-Q1576 PolarHBondContact O-N 2.96Å; T1573-E1577 PolarHBondContact O-N 2.92Å; T1573-I1616 HydrophobicContact CG2-CD1 4.47Å; T1573-I1616 HydrophobicContact CG2-CG2 4.07Å |
| 1574 | V | 89 | Confident | 83 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.8 | -42.5 | 173.5 | 162.2 | 0 | 0 | 0 | 0 | 111 | F1570 R1578 L1612 L1613 I1616 | F1570-V1574 HydrophobicContact CD1-CG2 4.32Å; F1570-V1574 HydrophobicContact CD2-CG2 4.33Å; F1570-V1574 HydrophobicContact CE1-CG2 3.92Å; F1570-V1574 HydrophobicContact CE2-CG2 3.9Å; F1570-V1574 HydrophobicContact CZ-CG2 3.68Å; F1570-V1574 WeakPolarHBondContact O-CB 3.46Å; F1570-V1574 VanDerWaalsContact O-CG2 3.25Å; F1570-V1574 WeakPolarHBondContact O-CG2 3.44Å; F1570-V1574 PolarHBondContact O-N 3.35Å; V1574-R1578 WeakPolarHBondContact O-CB 3.3Å; V1574-R1578 WeakPolarHBondContact O-CG 3.47Å; V1574-R1578 PolarHBondContact O-N 3.49Å; V1574-L1612 HydrophobicContact CG1-CD2 4.14Å; V1574-L1612 HydrophobicContact CG2-CD2 4.28Å; V1574-L1613 HydrophobicContact CG1-CD2 3.94Å; V1574-L1613 HydrophobicContact CG2-CD2 3.9Å; V1574-I1616 HydrophobicContact CB-CD1 4.4Å; V1574-I1616 HydrophobicContact CG2-CD1 3.65Å; V1574-I1616 HydrophobicContact CG2-CG2 4.32Å |
| 1575 | A | 80.9 | Confident | 82.2 | Confident | 13 Ų | 13 | 14.9 Ų | 14.9 | 11% | 0.107 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.1 | -40.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1571 D1572 T1573 R1578 D1579 | L1571-A1575 WeakPolarHBondContact O-CB 3.28Å; L1571-A1575 PolarHBondContact O-N 2.86Å; D1572-A1575 PolarHBondContact O-N 2.85Å; T1573-A1575 VanDerWaalsContact C-N 3.32Å; T1573-A1575 PolarHBondContact O-N 2.74Å; A1575-R1578 PolarHBondContact O-N 3.36Å; A1575-D1579 PolarHBondContact O-N 2.85Å |
| 1576 | Q | 80.9 | Confident | 81.2 | Confident | 58 Ų | 58 | 19 Ų | 19 | 27% | 0.271 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -64 | -48.4 | 176 | -179.7 | 170.3 | 59.3 | 0 | 0 | 111.8 | A1001 D1572 T1573 R1578 D1579 I1580 | A1001-Q1576 HydrophobicContact CB-CB 4.01Å; D1572-Q1576 WeakPolarHBondContact O-CB 3.22Å; D1572-Q1576 PolarHBondContact O-N 3.35Å; T1573-Q1576 PolarHBondContact O-N 2.96Å; Q1576-R1578 VanDerWaalsContact C-N 3.31Å; Q1576-R1578 PolarHBondContact O-N 2.84Å; Q1576-D1579 PolarHBondContact O-N 3.22Å; Q1576-D1579 VanDerWaalsContact O-N 3.11Å; Q1576-I1580 HydrophobicContact CG-CD1 3.84Å; Q1576-I1580 WeakPolarHBondContact O-CG1 3.45Å; Q1576-I1580 PolarHBondContact O-N 3.05Å |
| 1577 | E | 83.5 | Confident | 80.3 | Confident | 16 Ų | 16 | 20.2 Ų | 20.2 | 8% | 0.075 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.3 | -40.7 | 174.8 | -75.5 | -74.7 | 112.8 | 0 | 0 | 110.9 | T1573 D1579 I1580 L1581 L1612 I1616 Q1676 S1677 | T1573-E1577 PolarHBondContact O-N 2.92Å; E1577-D1579 VanDerWaalsContact C-N 3.32Å; E1577-D1579 PolarHBondContact O-N 2.88Å; E1577-I1580 PolarHBondContact O-N 2.89Å; E1577-L1581 WeakPolarHBondContact O-CB 3.49Å; E1577-L1581 VanDerWaalsContact O-CG 3.22Å; E1577-L1581 WeakPolarHBondContact O-CG 3.3Å; E1577-L1581 PolarHBondContact O-N 3.35Å; E1577-L1612 HydrophobicContact CB-CD1 3.83Å; E1577-I1616 HydrophobicContact CB-CD1 4.32Å; E1577-I1616 HydrophobicContact CG-CD1 4.07Å; E1577-Q1676 PolarHBondContact OE2-N 3.33Å; E1577-S1677 VanDerWaalsContact CD-OG 3.28Å; E1577-S1677 WeakPolarHBondContact OE1-CB 2.97Å; E1577-S1677 PolarHBondContact OE1-OG 2.96Å; E1577-S1677 WeakPolarHBondContact OE2-CB 3.48Å; E1577-S1677 PolarHBondContact OE2-N 3.33Å; E1577-S1677 PolarHBondContact OE2-OG 3.18Å |
| 1578 | R | 80 | Confident | 79.6 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.2 | -26 | 174 | -79.1 | -153.1 | -168.2 | 86.7 | 9.7 | 114.5 | T492 L493 V1574 A1575 Q1576 G1582 M1583 D1584 E1609 L1612 | T492-R1578 PolarHBondContact O-NH1 2.88Å; L493-R1578 PolarHBondContact O-NH2 2.9Å; V1574-R1578 WeakPolarHBondContact O-CB 3.3Å; V1574-R1578 WeakPolarHBondContact O-CG 3.47Å; V1574-R1578 PolarHBondContact O-N 3.49Å; A1575-R1578 PolarHBondContact O-N 3.36Å; Q1576-R1578 VanDerWaalsContact C-N 3.31Å; Q1576-R1578 PolarHBondContact O-N 2.84Å; R1578-G1582 CarbonylContact O-C 3.56Å; R1578-G1582 WeakPolarHBondContact O-CA 3.4Å; R1578-G1582 PolarHBondContact O-N 2.97Å; R1578-M1583 HydrophobicContact CB-CB 4.12Å; R1578-M1583 HydrophobicContact CG-CB 3.98Å; R1578-M1583 HydrophobicContact CG-CE 4.3Å; R1578-M1583 PolarHBondContact O-N 3.01Å; R1578-D1584 HydrophobicContact CB-CB 4.11Å; R1578-D1584 WeakPolarHBondContact CD-OD1 3.1Å; R1578-D1584 PolarHBondContact O-N 3.41Å; R1578-D1584 VanDerWaalsContact O-N 3.14Å; R1578-E1609 IonicContact CZ-OE1 3.69Å; R1578-E1609 VanDerWaalsContact CZ-OE1 3.24Å; R1578-E1609 IonicContact NE-OE1 3.28Å; R1578-E1609 PolarHBondContact NE-OE1 3.24Å; R1578-E1609 VanDerWaalsContact NE-OE1 3.11Å; R1578-E1609 IonicContact NH2-OE1 3.72Å; R1578-E1609 PolarHBondContact NH2-OE1 2.92Å; R1578-L1612 HydrophobicContact CG-CD1 4.44Å |
| 1579 | D | 74.9 | Confident | 79.1 | Confident | 48 Ų | 48 | 25.3 Ų | 25.3 | 26% | 0.257 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -82.7 | -30.2 | 174.3 | -167.6 | 26.4 | 0 | 0 | 0 | 112 | A1575 Q1576 E1577 G1582 R1710 I1716 | A1575-D1579 PolarHBondContact O-N 2.85Å; Q1576-D1579 PolarHBondContact O-N 3.22Å; Q1576-D1579 VanDerWaalsContact O-N 3.11Å; E1577-D1579 VanDerWaalsContact C-N 3.32Å; E1577-D1579 PolarHBondContact O-N 2.88Å; D1579-G1582 PolarHBondContact O-N 2.8Å; D1579-R1710 PolarHBondContact O-NH1 2.86Å; D1579-R1710 PolarHBondContact O-NH2 3.06Å; D1579-I1716 WeakPolarHBondContact O-CD1 3.47Å |
| 1580 | I | 73.9 | Confident | 78.6 | Confident | 56 Ų | 56 | 25.9 Ų | 25.9 | 29% | 0.287 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -73.6 | -41.8 | 173.2 | -59 | 162 | 0 | 0 | 0 | 111.2 | Q1576 E1577 G1582 R1710 | Q1576-I1580 HydrophobicContact CG-CD1 3.84Å; Q1576-I1580 WeakPolarHBondContact O-CG1 3.45Å; Q1576-I1580 PolarHBondContact O-N 3.05Å; E1577-I1580 PolarHBondContact O-N 2.89Å; I1580-G1582 PolarHBondContact O-N 3.03Å; I1580-R1710 PolarHBondContact O-NH2 2.51Å |
| 1581 | L | 77.1 | Confident | 78.1 | Confident | 9 Ų | 9 | 26.4 Ų | 26.4 | 5% | 0.047 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -11.6 | 168.2 | -56.9 | 171.9 | 0 | 0 | 0 | 111.9 | E1577 M1583 L1612 Q1676 I1680 Y1706 | E1577-L1581 WeakPolarHBondContact O-CB 3.49Å; E1577-L1581 VanDerWaalsContact O-CG 3.22Å; E1577-L1581 WeakPolarHBondContact O-CG 3.3Å; E1577-L1581 PolarHBondContact O-N 3.35Å; L1581-M1583 VanDerWaalsContact C-N 3.27Å; L1581-M1583 HydrophobicContact CB-CE 4.11Å; L1581-M1583 HydrophobicContact CD1-CE 3.52Å; L1581-M1583 HydrophobicContact CG-CE 4.48Å; L1581-M1583 PolarHBondContact O-N 3.08Å; L1581-L1612 HydrophobicContact CD1-CD1 3.47Å; L1581-L1612 VanDerWaalsContact CD1-CD1 3.47Å; L1581-Q1676 HydrophobicContact CD1-CB 3.96Å; L1581-Q1676 HydrophobicContact CD2-CB 4.25Å; L1581-I1680 HydrophobicContact CD2-CD1 3.39Å; L1581-I1680 HydrophobicContact CD2-CG1 3.81Å; L1581-Y1706 PolarHBondContact O-OH 2.74Å; L1581-Y1706 VanDerWaalsContact O-OH 3.08Å |
| 1582 | G | 71.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | R1578 D1579 I1580 D1584 Y1585 I1716 R1719 | R1578-G1582 CarbonylContact O-C 3.56Å; R1578-G1582 WeakPolarHBondContact O-CA 3.4Å; R1578-G1582 PolarHBondContact O-N 2.97Å; D1579-G1582 PolarHBondContact O-N 2.8Å; I1580-G1582 PolarHBondContact O-N 3.03Å; G1582-D1584 PolarHBondContact O-N 3.05Å; G1582-Y1585 WeakPolarHBondContact O-CB 3.45Å; G1582-Y1585 PolarHBondContact O-N 2.9Å; G1582-I1716 VanDerWaalsContact CA-CD1 3.46Å; G1582-R1719 PolarHBondContact O-NH1 2.94Å; G1582-R1719 PolarHBondContact O-NH2 2.69Å |
| 1583 | M | 76.3 | Confident | 77.3 | Confident | 26 Ų | 26 | 31.2 Ų | 31.2 | 13% | 0.128 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -33.3 | 173.1 | -75.4 | -171.2 | -99.2 | 0 | 0 | 113.1 | L495 R1578 L1581 Y1585 L1590 L1612 | L495-M1583 HydrophobicContact CD1-CB 4.17Å; R1578-M1583 HydrophobicContact CB-CB 4.12Å; R1578-M1583 HydrophobicContact CG-CB 3.98Å; R1578-M1583 HydrophobicContact CG-CE 4.3Å; R1578-M1583 PolarHBondContact O-N 3.01Å; L1581-M1583 VanDerWaalsContact C-N 3.27Å; L1581-M1583 HydrophobicContact CB-CE 4.11Å; L1581-M1583 HydrophobicContact CD1-CE 3.52Å; L1581-M1583 HydrophobicContact CG-CE 4.48Å; L1581-M1583 PolarHBondContact O-N 3.08Å; M1583-Y1585 VanDerWaalsContact C-N 3.3Å; M1583-Y1585 PolarHBondContact O-N 3.32Å; M1583-L1590 HydrophobicContact CB-CD2 4.36Å; M1583-L1590 HydrophobicContact CG-CD2 4.5Å; M1583-L1612 HydrophobicContact CE-CD1 3.85Å |
| 1584 | D | 69.4 | Low | 77.1 | Confident | 7 Ų | 7 | 31.8 Ų | 31.8 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -11.1 | 176.5 | -97.7 | 35.3 | 0 | 0 | 0 | 113.4 | N963 R1578 G1582 R1586 P1587 | N963-D1584 PolarHBondContact ND2-OD2 2.86Å; R1578-D1584 HydrophobicContact CB-CB 4.11Å; R1578-D1584 WeakPolarHBondContact CD-OD1 3.1Å; R1578-D1584 PolarHBondContact O-N 3.41Å; R1578-D1584 VanDerWaalsContact O-N 3.14Å; G1582-D1584 PolarHBondContact O-N 3.05Å; D1584-R1586 PolarHBondContact O-N 2.98Å; D1584-P1587 WeakPolarHBondContact O-CD 3.29Å |
| 1585 | Y | 68.3 | Low | 76.6 | Confident | 9 Ų | 9 | 37.4 Ų | 37.4 | 4% | 0.035 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -76.2 | 111.5 | 172.7 | -176.4 | -88.2 | 0 | 0 | 0 | 111.3 | G1582 M1583 I1716 L1717 R1719 | G1582-Y1585 WeakPolarHBondContact O-CB 3.45Å; G1582-Y1585 PolarHBondContact O-N 2.9Å; M1583-Y1585 VanDerWaalsContact C-N 3.3Å; M1583-Y1585 PolarHBondContact O-N 3.32Å; Y1585-I1716 HydrophobicContact CD1-CG2 4.1Å; Y1585-I1716 HydrophobicContact CD2-CB 3.58Å; Y1585-I1716 HydrophobicContact CD2-CD1 4.49Å; Y1585-I1716 HydrophobicContact CD2-CG2 3.39Å; Y1585-I1716 HydrophobicContact CE1-CG2 4.33Å; Y1585-I1716 HydrophobicContact CE2-CB 4.06Å; Y1585-I1716 HydrophobicContact CE2-CG2 3.63Å; Y1585-I1716 WeakPolarHBondContact CE2-O 3.32Å; Y1585-I1716 HydrophobicContact CG-CB 4.12Å; Y1585-I1716 HydrophobicContact CG-CD1 4.32Å; Y1585-I1716 HydrophobicContact CG-CG2 3.65Å; Y1585-L1717 PolarHBondContact OH-O 3.46Å; Y1585-R1719 HydrophobicContact CD1-CB 4.22Å; Y1585-R1719 HydrophobicContact CE1-CB 4.32Å; Y1585-R1719 PolarHBondContact O-NH1 2.95Å; Y1585-R1719 VanDerWaalsContact O-NH1 3.14Å |
| 1586 | R | 68 | Low | 76.4 | Confident | 87 Ų | 87 | 43.3 Ų | 43.3 | 33% | 0.328 | 21% | 0.209 | S | C | . | . | trans | 57.4 | 65.7 | 177.6 | -63.9 | -172.5 | -169.3 | -163.5 | 9.7 | 113.3 | D1584 K1588 E1589 L1590 | D1584-R1586 PolarHBondContact O-N 2.98Å; R1586-K1588 PolarHBondContact O-N 3.34Å; R1586-K1588 VanDerWaalsContact O-N 3.12Å; R1586-E1589 HydrophobicContact CB-CB 4.34Å; R1586-E1589 HydrophobicContact CB-CG 4.28Å; R1586-E1589 WeakPolarHBondContact CD-OE1 3.39Å; R1586-E1589 WeakPolarHBondContact CD-OE2 3.39Å; R1586-E1589 IonicContact CZ-OE1 2.69Å; R1586-E1589 IonicContact NE-OE1 2.6Å; R1586-E1589 IonicContact NH1-OE1 3.27Å; R1586-E1589 PolarHBondContact NH1-OE1 3.01Å; R1586-E1589 IonicContact NH1-OE2 3.1Å; R1586-E1589 PolarHBondContact O-N 3.15Å; R1586-L1590 PolarHBondContact O-N 3.49Å | ||
| 1587 | P | 72.1 | Confident | 76.2 | Confident | 28 Ų | 28 | 41.4 Ų | 41.4 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -25.5 | -176.7 | 24.7 | -34.7 | 0 | 0 | 0 | 114.2 | L495 I536 D1584 E1589 L1590 L1591 | L495-P1587 HydrophobicContact CD2-CB 4.2Å; I536-P1587 HydrophobicContact CG2-CB 3.81Å; I536-P1587 HydrophobicContact CG2-CG 3.87Å; D1584-P1587 WeakPolarHBondContact O-CD 3.29Å; P1587-E1589 VanDerWaalsContact C-N 3.33Å; P1587-E1589 PolarHBondContact O-N 2.9Å; P1587-L1590 PolarHBondContact O-N 3.34Å; P1587-L1591 VanDerWaalsContact O-CB 3.28Å; P1587-L1591 WeakPolarHBondContact O-CB 3.21Å; P1587-L1591 WeakPolarHBondContact O-CD1 3.26Å; P1587-L1591 WeakPolarHBondContact O-CG 3.32Å; P1587-L1591 PolarHBondContact O-N 3.3Å |
| 1588 | K | 75 | Confident | 76 | Confident | 75 Ų | 75 | 43.9 Ų | 43.9 | 33% | 0.326 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.5 | -43.6 | 171.9 | -174.8 | 176.7 | -179.5 | -178.2 | 0 | 111.4 | E541 R1586 L1592 | E541-K1588 IonicContact OE1-NZ 3.26Å; E541-K1588 PolarHBondContact OE1-NZ 2.9Å; R1586-K1588 PolarHBondContact O-N 3.34Å; R1586-K1588 VanDerWaalsContact O-N 3.12Å; K1588-L1592 HydrophobicContact CG-CD1 4.16Å; K1588-L1592 WeakPolarHBondContact O-CB 3.46Å; K1588-L1592 WeakPolarHBondContact O-CD1 3.44Å; K1588-L1592 WeakPolarHBondContact O-CG 3.41Å; K1588-L1592 PolarHBondContact O-N 2.9Å |
| 1589 | E | 76 | Confident | 75.9 | Confident | 70 Ų | 70 | 49.9 Ų | 49.9 | 33% | 0.327 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71.5 | -40.7 | 178.1 | -65.5 | 173.6 | -173.6 | 0 | 0 | 111.6 | R1586 P1587 L1591 L1592 K1593 | R1586-E1589 HydrophobicContact CB-CB 4.34Å; R1586-E1589 HydrophobicContact CB-CG 4.28Å; R1586-E1589 WeakPolarHBondContact CD-OE1 3.39Å; R1586-E1589 WeakPolarHBondContact CD-OE2 3.39Å; R1586-E1589 IonicContact CZ-OE1 2.69Å; R1586-E1589 IonicContact NE-OE1 2.6Å; R1586-E1589 IonicContact NH1-OE1 3.27Å; R1586-E1589 PolarHBondContact NH1-OE1 3.01Å; R1586-E1589 IonicContact NH1-OE2 3.1Å; R1586-E1589 PolarHBondContact O-N 3.15Å; P1587-E1589 VanDerWaalsContact C-N 3.33Å; P1587-E1589 PolarHBondContact O-N 2.9Å; E1589-L1591 PolarHBondContact O-N 2.88Å; E1589-L1592 PolarHBondContact O-N 3.37Å; E1589-K1593 WeakPolarHBondContact O-CB 3.23Å; E1589-K1593 PolarHBondContact O-N 3.04Å |
| 1590 | L | 79.7 | Confident | 76.2 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 177.5 | -152.1 | 91.6 | 0 | 0 | 0 | 111.8 | L495 F496 M1583 R1586 P1587 K1593 Y1594 W1721 | L495-L1590 HydrophobicContact CD1-CD2 3.76Å; F496-L1590 HydrophobicContact CE1-CD2 4.2Å; F496-L1590 HydrophobicContact CE2-CD2 3.96Å; F496-L1590 HydrophobicContact CZ-CD2 3.39Å; F496-L1590 HydrophobicContact CZ-CG 3.78Å; M1583-L1590 HydrophobicContact CB-CD2 4.36Å; M1583-L1590 HydrophobicContact CG-CD2 4.5Å; R1586-L1590 PolarHBondContact O-N 3.49Å; P1587-L1590 PolarHBondContact O-N 3.34Å; L1590-K1593 PolarHBondContact O-N 3.18Å; L1590-Y1594 PolarHBondContact O-N 3.43Å; L1590-W1721 HydrophobicContact CD1-CH2 3.87Å; L1590-W1721 HydrophobicContact CD1-CZ2 3.92Å |
| 1591 | L | 81.5 | Confident | 76.5 | Confident | 12 Ų | 12 | 51.9 Ų | 51.9 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.2 | -37.5 | 176.6 | -71.8 | 166.1 | 0 | 0 | 0 | 112.5 | L495 F496 P499 I536 C537 P1587 E1589 Y1594 Q1595 | L495-L1591 VanDerWaalsContact O-CD2 3.32Å; L495-L1591 WeakPolarHBondContact O-CD2 3.3Å; F496-L1591 HydrophobicContact CD1-CD2 4.2Å; F496-L1591 HydrophobicContact CE1-CD2 4.19Å; P499-L1591 HydrophobicContact CG-CD1 4.36Å; I536-L1591 HydrophobicContact CG2-CD1 4.5Å; C537-L1591 HydrophobicContact CB-CD1 3.67Å; P1587-L1591 VanDerWaalsContact O-CB 3.28Å; P1587-L1591 WeakPolarHBondContact O-CB 3.21Å; P1587-L1591 WeakPolarHBondContact O-CD1 3.26Å; P1587-L1591 WeakPolarHBondContact O-CG 3.32Å; P1587-L1591 PolarHBondContact O-N 3.3Å; E1589-L1591 PolarHBondContact O-N 2.88Å; L1591-Y1594 PolarHBondContact O-N 3.4Å; L1591-Q1595 WeakPolarHBondContact O-CG 3.41Å; L1591-Q1595 PolarHBondContact O-N 3.48Å |
| 1592 | L | 78.6 | Confident | 76.9 | Confident | 76 Ų | 76 | 54.9 Ų | 54.9 | 40% | 0.398 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 172.6 | -75.8 | 167.7 | 0 | 0 | 0 | 111.4 | K1588 E1589 Y1594 Q1595 N1596 | K1588-L1592 HydrophobicContact CG-CD1 4.16Å; K1588-L1592 WeakPolarHBondContact O-CB 3.46Å; K1588-L1592 WeakPolarHBondContact O-CD1 3.44Å; K1588-L1592 WeakPolarHBondContact O-CG 3.41Å; K1588-L1592 PolarHBondContact O-N 2.9Å; E1589-L1592 PolarHBondContact O-N 3.37Å; L1592-Y1594 PolarHBondContact O-N 2.7Å; L1592-Q1595 PolarHBondContact O-N 3.38Å; L1592-N1596 PolarHBondContact O-N 3.38Å |
| 1593 | K | 78 | Confident | 77.7 | Confident | 44 Ų | 44 | 59.6 Ų | 59.6 | 19% | 0.191 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 173.7 | -175.7 | 153 | 177.5 | 159.1 | 0 | 111.1 | E1589 L1590 Q1595 N1596 S1597 W1721 D1723 | E1589-K1593 WeakPolarHBondContact O-CB 3.23Å; E1589-K1593 PolarHBondContact O-N 3.04Å; L1590-K1593 PolarHBondContact O-N 3.18Å; K1593-Q1595 VanDerWaalsContact C-N 3.33Å; K1593-Q1595 PolarHBondContact O-N 3.01Å; K1593-N1596 CarbonylContact O-C 3.59Å; K1593-N1596 PolarHBondContact O-N 3.05Å; K1593-N1596 VanDerWaalsContact O-N 3.11Å; K1593-S1597 WeakPolarHBondContact O-CB 3.3Å; K1593-S1597 PolarHBondContact O-N 2.87Å; K1593-S1597 PolarHBondContact O-OG 2.99Å; K1593-W1721 HydrophobicContact CD-CD2 3.89Å; K1593-W1721 HydrophobicContact CD-CE3 3.9Å; K1593-W1721 HydrophobicContact CD-CH2 3.83Å; K1593-W1721 HydrophobicContact CD-CZ2 3.83Å; K1593-W1721 HydrophobicContact CD-CZ3 3.86Å; K1593-D1723 WeakPolarHBondContact CE-OD2 3.45Å; K1593-D1723 IonicContact NZ-OD1 2.77Å; K1593-D1723 PolarHBondContact NZ-OD1 2.8Å; K1593-D1723 IonicContact NZ-OD2 3.62Å; K1593-D1723 PolarHBondContact NZ-OD2 3.28Å |
| 1594 | Y | 84.9 | Confident | 78.1 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 9% | 0.086 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.5 | -41.8 | 172.6 | 177.1 | -83.8 | 0 | 0 | 0 | 113.4 | F496 P497 L1590 L1591 L1592 N1596 R1602 M1605 E1606 | F496-Y1594 HydrophobicContact CB-CD2 4.06Å; F496-Y1594 HydrophobicContact CB-CE2 3.85Å; F496-Y1594 HydrophobicContact CD1-CD1 4.24Å; F496-Y1594 AromaticContact CD1-CD2 3.31Å; F496-Y1594 HydrophobicContact CD1-CD2 3.31Å; F496-Y1594 AromaticContact CD1-CE2 3.98Å; F496-Y1594 HydrophobicContact CD1-CE2 3.98Å; F496-Y1594 AromaticContact CD1-CG 3.5Å; F496-Y1594 HydrophobicContact CD1-CG 3.5Å; F496-Y1594 HydrophobicContact CD2-CD2 4.45Å; F496-Y1594 VanDerWaalsContact CE1-CB 3.41Å; F496-Y1594 AromaticContact CE1-CD2 3.72Å; F496-Y1594 HydrophobicContact CE1-CD2 3.72Å; F496-Y1594 AromaticContact CE1-CG 3.71Å; F496-Y1594 HydrophobicContact CE1-CG 3.71Å; F496-Y1594 AromaticContact CG-CD2 3.7Å; F496-Y1594 HydrophobicContact CG-CD2 3.7Å; F496-Y1594 HydrophobicContact CG-CE2 4.04Å; F496-Y1594 HydrophobicContact CG-CG 4.35Å; F496-Y1594 HydrophobicContact CZ-CD2 4.39Å; P497-Y1594 HydrophobicContact CB-CE1 4.45Å; P497-Y1594 WeakPolarHBondContact CB-OH 3.41Å; L1590-Y1594 PolarHBondContact O-N 3.43Å; L1591-Y1594 PolarHBondContact O-N 3.4Å; L1592-Y1594 PolarHBondContact O-N 2.7Å; Y1594-N1596 VanDerWaalsContact C-N 3.26Å; Y1594-N1596 PolarHBondContact O-N 3.43Å; Y1594-R1602 HydrophobicContact CD2-CB 4.22Å; Y1594-R1602 HydrophobicContact CD2-CG 4Å; Y1594-R1602 HydrophobicContact CE1-CG 4.32Å; Y1594-R1602 HydrophobicContact CE2-CB 3.58Å; Y1594-R1602 HydrophobicContact CE2-CG 3.73Å; Y1594-R1602 HydrophobicContact CG-CG 4.36Å; Y1594-R1602 WeakPolarHBondContact O-CD 3.41Å; Y1594-R1602 WeakPolarHBondContact O-CG 3.41Å; Y1594-R1602 VanDerWaalsContact O-CZ 3.3Å; Y1594-R1602 PolarHBondContact O-NE 2.96Å; Y1594-M1605 HydrophobicContact CD2-CB 4.45Å; Y1594-M1605 HydrophobicContact CD2-CE 3.79Å; Y1594-M1605 HydrophobicContact CD2-SD 4.48Å; Y1594-M1605 HydrophobicContact CG-CE 4.41Å; Y1594-E1606 HydrophobicContact CE2-CG 4.37Å; Y1594-E1606 PolarHBondContact OH-OE1 3.22Å; Y1594-E1606 VanDerWaalsContact OH-OE1 3.13Å |
| 1595 | Q | 79 | Confident | 79 | Confident | 118 Ų | 118 | 61.9 Ų | 61.9 | 55% | 0.551 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.7 | -25.4 | 177.2 | -74.9 | 177.4 | 6.8 | 0 | 0 | 113.6 | L1591 L1592 K1593 R1602 | L1591-Q1595 WeakPolarHBondContact O-CG 3.41Å; L1591-Q1595 PolarHBondContact O-N 3.48Å; L1592-Q1595 PolarHBondContact O-N 3.38Å; K1593-Q1595 VanDerWaalsContact C-N 3.33Å; K1593-Q1595 PolarHBondContact O-N 3.01Å; Q1595-R1602 VanDerWaalsContact O-CZ 3.28Å; Q1595-R1602 PolarHBondContact O-NH1 3.17Å; Q1595-R1602 PolarHBondContact O-NH2 3.3Å |
| 1596 | N | 76.6 | Confident | 80.1 | Confident | 137 Ų | 137 | 62.9 Ų | 62.9 | 73% | 0.733 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -99.2 | -17.5 | -179.6 | -64.3 | -5.2 | 0 | 0 | 0 | 113.7 | L1592 K1593 Y1594 | L1592-N1596 PolarHBondContact O-N 3.38Å; K1593-N1596 CarbonylContact O-C 3.59Å; K1593-N1596 PolarHBondContact O-N 3.05Å; K1593-N1596 VanDerWaalsContact O-N 3.11Å; Y1594-N1596 VanDerWaalsContact C-N 3.26Å; Y1594-N1596 PolarHBondContact O-N 3.43Å |
| 1597 | S | 77.2 | Confident | 81.1 | Confident | 18 Ų | 18 | 63 Ų | 63 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -66 | 158.4 | -179.2 | -78.6 | 0 | 0 | 0 | 0 | 114.1 | K1593 R1602 | K1593-S1597 WeakPolarHBondContact O-CB 3.3Å; K1593-S1597 PolarHBondContact O-N 2.87Å; K1593-S1597 PolarHBondContact O-OG 2.99Å; S1597-R1602 PolarHBondContact O-NE 2.73Å; S1597-R1602 PolarHBondContact O-NH2 2.84Å |
| 1598 | S | 77.9 | Confident | 81.9 | Confident | 68 Ų | 68 | 65.7 Ų | 65.7 | 48% | 0.476 | 33% | 0.325 | S | S | . | . | trans | -60.7 | 158.5 | 170.7 | 73.2 | 0 | 0 | 0 | 0 | 112.3 | L1600 K1601 R1602 | S1598-L1600 VanDerWaalsContact C-N 3.28Å; S1598-L1600 PolarHBondContact O-N 3.44Å; S1598-K1601 PolarHBondContact O-N 2.76Å; S1598-K1601 WeakPolarHBondContact OG-CB 3.32Å; S1598-K1601 PolarHBondContact OG-N 3.09Å; S1598-R1602 WeakPolarHBondContact O-CG 3.48Å; S1598-R1602 PolarHBondContact O-N 2.85Å | ||
| 1599 | L | 77.9 | Confident | 82.6 | Confident | 127 Ų | 127 | 62.1 Ų | 62.1 | 67% | 0.665 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -57.2 | -42 | 178.8 | -169.5 | 82.3 | 0 | 0 | 0 | 111.9 | R1602 K1603 | L1599-R1602 PolarHBondContact O-N 3.14Å; L1599-K1603 WeakPolarHBondContact O-CG 3.45Å; L1599-K1603 PolarHBondContact O-N 3.04Å |
| 1600 | L | 81 | Confident | 83.4 | Confident | 121 Ų | 121 | 59 Ų | 59 | 63% | 0.634 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.5 | -44.8 | 178.9 | -164.2 | 158 | 0 | 0 | 0 | 110.7 | S1598 R1602 K1603 Q1604 | S1598-L1600 VanDerWaalsContact C-N 3.28Å; S1598-L1600 PolarHBondContact O-N 3.44Å; L1600-R1602 PolarHBondContact O-N 2.88Å; L1600-K1603 PolarHBondContact O-N 3.29Å; L1600-K1603 VanDerWaalsContact O-N 3.14Å; L1600-Q1604 PolarHBondContact O-N 2.85Å |
| 1601 | K | 80 | Confident | 83.9 | Confident | 25 Ų | 25 | 60 Ų | 60 | 11% | 0.109 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.7 | -34.7 | 178.5 | -166.4 | 69.6 | -177 | -177.9 | 0 | 112.8 | S1598 Q1604 M1605 D1705 | S1598-K1601 PolarHBondContact O-N 2.76Å; S1598-K1601 WeakPolarHBondContact OG-CB 3.32Å; S1598-K1601 PolarHBondContact OG-N 3.09Å; K1601-Q1604 PolarHBondContact O-N 3.07Å; K1601-M1605 HydrophobicContact CG-CE 4.24Å; K1601-M1605 WeakPolarHBondContact O-CE 3.25Å; K1601-M1605 PolarHBondContact O-N 3.48Å; K1601-M1605 VanDerWaalsContact O-N 3.08Å; K1601-D1705 WeakPolarHBondContact CE-OD2 3.41Å; K1601-D1705 IonicContact NZ-OD1 2.82Å; K1601-D1705 IonicContact NZ-OD2 2.7Å; K1601-D1705 PolarHBondContact NZ-OD2 2.85Å |
| 1602 | R | 86.4 | Confident | 84.4 | Confident | 72 Ų | 72 | 59.5 Ų | 59.5 | 27% | 0.272 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 169 | -70 | 178.3 | -143.8 | -138.9 | -4.9 | 111.4 | Y1594 Q1595 S1597 S1598 L1599 L1600 M1605 E1606 | Y1594-R1602 HydrophobicContact CD2-CB 4.22Å; Y1594-R1602 HydrophobicContact CD2-CG 4Å; Y1594-R1602 HydrophobicContact CE1-CG 4.32Å; Y1594-R1602 HydrophobicContact CE2-CB 3.58Å; Y1594-R1602 HydrophobicContact CE2-CG 3.73Å; Y1594-R1602 HydrophobicContact CG-CG 4.36Å; Y1594-R1602 WeakPolarHBondContact O-CD 3.41Å; Y1594-R1602 WeakPolarHBondContact O-CG 3.41Å; Y1594-R1602 VanDerWaalsContact O-CZ 3.3Å; Y1594-R1602 PolarHBondContact O-NE 2.96Å; Q1595-R1602 VanDerWaalsContact O-CZ 3.28Å; Q1595-R1602 PolarHBondContact O-NH1 3.17Å; Q1595-R1602 PolarHBondContact O-NH2 3.3Å; S1597-R1602 PolarHBondContact O-NE 2.73Å; S1597-R1602 PolarHBondContact O-NH2 2.84Å; S1598-R1602 WeakPolarHBondContact O-CG 3.48Å; S1598-R1602 PolarHBondContact O-N 2.85Å; L1599-R1602 PolarHBondContact O-N 3.14Å; L1600-R1602 PolarHBondContact O-N 2.88Å; R1602-M1605 PolarHBondContact O-N 3.03Å; R1602-E1606 WeakPolarHBondContact O-CG 3.45Å; R1602-E1606 PolarHBondContact O-N 3.11Å |
| 1603 | K | 88.1 | Confident | 85.2 | Confident | 99 Ų | 99 | 55.9 Ų | 55.9 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.9 | -34 | 177.4 | -72.6 | -75.3 | 171.2 | -117.2 | 0 | 113 | L1599 L1600 E1606 L1607 | L1599-K1603 WeakPolarHBondContact O-CG 3.45Å; L1599-K1603 PolarHBondContact O-N 3.04Å; L1600-K1603 PolarHBondContact O-N 3.29Å; L1600-K1603 VanDerWaalsContact O-N 3.14Å; K1603-E1606 IonicContact NZ-OE1 3.44Å; K1603-E1606 PolarHBondContact NZ-OE1 3.07Å; K1603-E1606 IonicContact NZ-OE2 3.44Å; K1603-E1606 PolarHBondContact NZ-OE2 3.33Å; K1603-L1607 WeakPolarHBondContact O-CB 3.34Å; K1603-L1607 WeakPolarHBondContact O-CD1 3.46Å; K1603-L1607 WeakPolarHBondContact O-CG 3.46Å; K1603-L1607 PolarHBondContact O-N 3.41Å; K1603-L1607 VanDerWaalsContact O-N 3.07Å |
| 1604 | Q | 85.6 | Confident | 85.9 | Confident | 58 Ų | 58 | 54 Ų | 54 | 27% | 0.271 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.6 | -52.8 | 168.8 | -178 | -176.2 | -3.3 | 0 | 0 | 110.9 | L1600 K1601 E1606 L1607 E1608 | L1600-Q1604 PolarHBondContact O-N 2.85Å; K1601-Q1604 PolarHBondContact O-N 3.07Å; Q1604-E1606 VanDerWaalsContact C-N 3.34Å; Q1604-E1606 PolarHBondContact O-N 2.89Å; Q1604-L1607 PolarHBondContact O-N 3.35Å; Q1604-E1608 HydrophobicContact CG-CG 4.36Å; Q1604-E1608 VanDerWaalsContact CG-OE1 3.31Å; Q1604-E1608 WeakPolarHBondContact CG-OE1 3.49Å; Q1604-E1608 PolarHBondContact NE2-OE1 2.95Å; Q1604-E1608 WeakPolarHBondContact O-CG 3.43Å; Q1604-E1608 PolarHBondContact O-N 3.32Å |
| 1605 | M | 86.9 | Confident | 86.4 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 11% | 0.108 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -37.3 | -179.1 | -71.6 | -176.8 | -75.6 | 0 | 0 | 113.1 | F496 Y1594 K1601 R1602 E1609 | F496-M1605 HydrophobicContact CD2-CB 3.8Å; F496-M1605 HydrophobicContact CE2-CB 3.79Å; F496-M1605 HydrophobicContact CE2-CG 4.3Å; F496-M1605 HydrophobicContact CE2-SD 4.19Å; F496-M1605 HydrophobicContact CZ-SD 4.06Å; Y1594-M1605 HydrophobicContact CD2-CB 4.45Å; Y1594-M1605 HydrophobicContact CD2-CE 3.79Å; Y1594-M1605 HydrophobicContact CD2-SD 4.48Å; Y1594-M1605 HydrophobicContact CG-CE 4.41Å; K1601-M1605 HydrophobicContact CG-CE 4.24Å; K1601-M1605 WeakPolarHBondContact O-CE 3.25Å; K1601-M1605 PolarHBondContact O-N 3.48Å; K1601-M1605 VanDerWaalsContact O-N 3.08Å; R1602-M1605 PolarHBondContact O-N 3.03Å; M1605-E1609 PolarHBondContact O-N 3.29Å |
| 1606 | E | 91.2 | Very high | 87.1 | Confident | 31 Ų | 31 | 49.4 Ų | 49.4 | 15% | 0.145 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 171.3 | -74.4 | 173.9 | -137.1 | 0 | 0 | 112.6 | F496 Y1594 R1602 K1603 Q1604 D1610 | F496-E1606 HydrophobicContact CB-CG 4.24Å; Y1594-E1606 HydrophobicContact CE2-CG 4.37Å; Y1594-E1606 PolarHBondContact OH-OE1 3.22Å; Y1594-E1606 VanDerWaalsContact OH-OE1 3.13Å; R1602-E1606 WeakPolarHBondContact O-CG 3.45Å; R1602-E1606 PolarHBondContact O-N 3.11Å; K1603-E1606 IonicContact NZ-OE1 3.44Å; K1603-E1606 PolarHBondContact NZ-OE1 3.07Å; K1603-E1606 IonicContact NZ-OE2 3.44Å; K1603-E1606 PolarHBondContact NZ-OE2 3.33Å; Q1604-E1606 VanDerWaalsContact C-N 3.34Å; Q1604-E1606 PolarHBondContact O-N 2.89Å; E1606-D1610 WeakPolarHBondContact O-CB 3.3Å; E1606-D1610 PolarHBondContact O-N 3.38Å |
| 1607 | L | 90.4 | Very high | 88 | Confident | 88 Ų | 88 | 42.9 Ų | 42.9 | 46% | 0.461 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -74.5 | -34 | -177.5 | -72.3 | 167.8 | 0 | 0 | 0 | 112.9 | K1603 Q1604 C1611 Y1651 | K1603-L1607 WeakPolarHBondContact O-CB 3.34Å; K1603-L1607 WeakPolarHBondContact O-CD1 3.46Å; K1603-L1607 WeakPolarHBondContact O-CG 3.46Å; K1603-L1607 PolarHBondContact O-N 3.41Å; K1603-L1607 VanDerWaalsContact O-N 3.07Å; Q1604-L1607 PolarHBondContact O-N 3.35Å; L1607-C1611 WeakPolarHBondContact O-CB 3.3Å; L1607-C1611 PolarHBondContact O-N 3.08Å; L1607-Y1651 HydrophobicContact CD2-CD2 4.37Å; L1607-Y1651 HydrophobicContact CD2-CE2 3.85Å |
| 1608 | E | 87.1 | Confident | 88.9 | Confident | 85 Ų | 85 | 43.7 Ų | 43.7 | 40% | 0.397 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.2 | -43.1 | 174.5 | -73.8 | 170.1 | 172.5 | 0 | 0 | 111.1 | Q1604 C1611 L1612 Q1676 | Q1604-E1608 HydrophobicContact CG-CG 4.36Å; Q1604-E1608 VanDerWaalsContact CG-OE1 3.31Å; Q1604-E1608 WeakPolarHBondContact CG-OE1 3.49Å; Q1604-E1608 PolarHBondContact NE2-OE1 2.95Å; Q1604-E1608 WeakPolarHBondContact O-CG 3.43Å; Q1604-E1608 PolarHBondContact O-N 3.32Å; E1608-C1611 WeakPolarHBondContact O-CB 3.18Å; E1608-C1611 PolarHBondContact O-N 3.29Å; E1608-L1612 PolarHBondContact O-N 3.3Å; E1608-Q1676 PolarHBondContact O-NE2 3.05Å; E1608-Q1676 VanDerWaalsContact O-NE2 3.08Å |
| 1609 | E | 89.9 | Confident | 89.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69 | -41.5 | 175 | 179 | 161.3 | -122.2 | 0 | 0 | 112.8 | R494 L495 F496 R1578 M1605 C1611 L1612 L1613 | R494-E1609 HydrophobicContact CG-CG 4.35Å; R494-E1609 WeakPolarHBondContact CG-OE2 3.11Å; L495-E1609 VanDerWaalsContact N-CD 3.33Å; L495-E1609 PolarHBondContact N-OE1 3.42Å; L495-E1609 PolarHBondContact N-OE2 3.45Å; F496-E1609 PolarHBondContact N-OE2 3.35Å; R1578-E1609 IonicContact CZ-OE1 3.69Å; R1578-E1609 VanDerWaalsContact CZ-OE1 3.24Å; R1578-E1609 IonicContact NE-OE1 3.28Å; R1578-E1609 PolarHBondContact NE-OE1 3.24Å; R1578-E1609 VanDerWaalsContact NE-OE1 3.11Å; R1578-E1609 IonicContact NH2-OE1 3.72Å; R1578-E1609 PolarHBondContact NH2-OE1 2.92Å; M1605-E1609 PolarHBondContact O-N 3.29Å; E1609-C1611 VanDerWaalsContact C-N 3.27Å; E1609-C1611 PolarHBondContact O-N 2.95Å; E1609-L1612 PolarHBondContact O-N 3.45Å; E1609-L1613 HydrophobicContact CG-CD1 3.9Å; E1609-L1613 WeakPolarHBondContact O-CG 3.28Å; E1609-L1613 PolarHBondContact O-N 3Å |
| 1610 | D | 93.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.032 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.4 | -42.9 | 170.9 | -93.6 | 11 | 0 | 0 | 0 | 111.7 | R494 E1606 L1613 V1614 T1647 G1648 Y1651 | R494-D1610 IonicContact CZ-OD1 3.66Å; R494-D1610 VanDerWaalsContact CZ-OD1 3.23Å; R494-D1610 IonicContact NH1-OD1 3.82Å; R494-D1610 PolarHBondContact NH1-OD1 3.24Å; R494-D1610 IonicContact NH2-OD1 2.73Å; R494-D1610 PolarHBondContact NH2-OD1 3.27Å; E1606-D1610 WeakPolarHBondContact O-CB 3.3Å; E1606-D1610 PolarHBondContact O-N 3.38Å; D1610-L1613 PolarHBondContact O-N 3.08Å; D1610-V1614 WeakPolarHBondContact O-CB 3.09Å; D1610-V1614 PolarHBondContact O-N 2.91Å; D1610-T1647 WeakPolarHBondContact OD1-CA 3.42Å; D1610-G1648 WeakPolarHBondContact OD2-CA 3.28Å; D1610-G1648 PolarHBondContact OD2-N 2.85Å; D1610-Y1651 HydrophobicContact CB-CD2 3.49Å; D1610-Y1651 VanDerWaalsContact CB-CD2 3.49Å; D1610-Y1651 HydrophobicContact CB-CE2 3.89Å; D1610-Y1651 HydrophobicContact CB-CG 3.96Å |
| 1611 | C | 91.5 | Very high | 91.3 | Very high | 30 Ų | 30 | 29.4 Ų | 29.4 | 20% | 0.203 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.9 | -40.2 | 179.7 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | L1607 E1608 E1609 N1615 Y1651 Q1676 | L1607-C1611 WeakPolarHBondContact O-CB 3.3Å; L1607-C1611 PolarHBondContact O-N 3.08Å; E1608-C1611 WeakPolarHBondContact O-CB 3.18Å; E1608-C1611 PolarHBondContact O-N 3.29Å; E1609-C1611 VanDerWaalsContact C-N 3.27Å; E1609-C1611 PolarHBondContact O-N 2.95Å; C1611-N1615 WeakPolarHBondContact O-CB 3.27Å; C1611-N1615 PolarHBondContact O-N 3.02Å; C1611-Y1651 HydrophobicContact CB-CE1 3.97Å; C1611-Y1651 WeakPolarHBondContact CB-OH 3.4Å; C1611-Q1676 PolarHBondContact SG-NE2 3.2Å |
| 1612 | L | 91.7 | Very high | 92 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.4 | -53.4 | 173.8 | 177.8 | 139.8 | 0 | 0 | 0 | 110.7 | V1574 E1577 R1578 L1581 M1583 E1608 E1609 V1614 N1615 I1616 Q1676 | V1574-L1612 HydrophobicContact CG1-CD2 4.14Å; V1574-L1612 HydrophobicContact CG2-CD2 4.28Å; E1577-L1612 HydrophobicContact CB-CD1 3.83Å; R1578-L1612 HydrophobicContact CG-CD1 4.44Å; L1581-L1612 HydrophobicContact CD1-CD1 3.47Å; L1581-L1612 VanDerWaalsContact CD1-CD1 3.47Å; M1583-L1612 HydrophobicContact CE-CD1 3.85Å; E1608-L1612 PolarHBondContact O-N 3.3Å; E1609-L1612 PolarHBondContact O-N 3.45Å; L1612-V1614 PolarHBondContact O-N 3.5Å; L1612-N1615 PolarHBondContact O-N 3.36Å; L1612-I1616 HydrophobicContact CD2-CD1 3.82Å; L1612-I1616 HydrophobicContact CG-CD1 3.93Å; L1612-I1616 VanDerWaalsContact O-CG1 3.31Å; L1612-I1616 WeakPolarHBondContact O-CG1 3.14Å; L1612-I1616 PolarHBondContact O-N 3.03Å; L1612-I1616 VanDerWaalsContact O-N 3.14Å; L1612-Q1676 VanDerWaalsContact N-NE2 3.11Å |
| 1613 | L | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | -174.9 | -68.3 | 166.9 | 0 | 0 | 0 | 111.2 | L493 R494 F1570 V1574 E1609 D1610 M1617 T1647 | L493-L1613 HydrophobicContact CD1-CD2 4.3Å; L493-L1613 WeakPolarHBondContact O-CD2 3.26Å; R494-L1613 HydrophobicContact CG-CD1 4.45Å; F1570-L1613 HydrophobicContact CZ-CD2 4.13Å; V1574-L1613 HydrophobicContact CG1-CD2 3.94Å; V1574-L1613 HydrophobicContact CG2-CD2 3.9Å; E1609-L1613 HydrophobicContact CG-CD1 3.9Å; E1609-L1613 WeakPolarHBondContact O-CG 3.28Å; E1609-L1613 PolarHBondContact O-N 3Å; D1610-L1613 PolarHBondContact O-N 3.08Å; L1613-M1617 WeakPolarHBondContact O-CG 3.48Å; L1613-M1617 PolarHBondContact O-N 2.84Å; L1613-T1647 HydrophobicContact CB-CG2 4.43Å |
| 1614 | V | 94.3 | Very high | 92.6 | Very high | 6 Ų | 6 | 20.3 Ų | 20.3 | 4% | 0.036 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -74.8 | -33.8 | 179.4 | 160.8 | 0 | 0 | 0 | 0 | 113.6 | D1610 L1612 I1616 M1617 H1618 L1642 T1647 Y1651 I1655 | D1610-V1614 WeakPolarHBondContact O-CB 3.09Å; D1610-V1614 PolarHBondContact O-N 2.91Å; L1612-V1614 PolarHBondContact O-N 3.5Å; V1614-I1616 VanDerWaalsContact C-N 3.35Å; V1614-I1616 PolarHBondContact O-N 3.05Å; V1614-M1617 PolarHBondContact O-N 3.42Å; V1614-H1618 VanDerWaalsContact O-CB 3.29Å; V1614-H1618 WeakPolarHBondContact O-CB 3.41Å; V1614-H1618 PolarHBondContact O-N 3.17Å; V1614-L1642 HydrophobicContact CG2-CD1 4.35Å; V1614-T1647 HydrophobicContact CG2-CG2 4.17Å; V1614-Y1651 HydrophobicContact CB-CD1 4.12Å; V1614-Y1651 HydrophobicContact CG1-CD1 4.06Å; V1614-I1655 HydrophobicContact CB-CG1 4.35Å; V1614-I1655 HydrophobicContact CG1-CD1 3.95Å; V1614-I1655 HydrophobicContact CG1-CG1 3.81Å; V1614-I1655 HydrophobicContact CG2-CG1 3.89Å |
| 1615 | N | 94.2 | Very high | 92.9 | Very high | 31 Ų | 31 | 18.1 Ų | 18.1 | 17% | 0.166 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 172.7 | -83.3 | 1.9 | 0 | 0 | 0 | 111.9 | C1611 L1612 H1618 N1619 N1673 | C1611-N1615 WeakPolarHBondContact O-CB 3.27Å; C1611-N1615 PolarHBondContact O-N 3.02Å; L1612-N1615 PolarHBondContact O-N 3.36Å; N1615-H1618 PolarHBondContact O-N 3.43Å; N1615-N1619 PolarHBondContact O-N 2.73Å; N1615-N1673 HydrophobicContact CB-CB 4.31Å; N1615-N1673 PolarHBondContact OD1-ND2 3.34Å |
| 1616 | I | 94.4 | Very high | 93.1 | Very high | 12 Ų | 12 | 17.3 Ų | 17.3 | 6% | 0.062 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -69.8 | -37.5 | 177.6 | -58 | 166.6 | 0 | 0 | 0 | 110.3 | F1004 F1570 T1573 V1574 E1577 L1612 V1614 M1620 | F1004-I1616 HydrophobicContact CD1-CG2 4.18Å; F1004-I1616 HydrophobicContact CE1-CG2 3.47Å; F1004-I1616 VanDerWaalsContact CE1-CG2 3.47Å; F1004-I1616 HydrophobicContact CZ-CG2 3.87Å; F1570-I1616 HydrophobicContact CD2-CB 4.31Å; F1570-I1616 HydrophobicContact CD2-CG2 3.6Å; F1570-I1616 HydrophobicContact CE2-CB 3.95Å; F1570-I1616 HydrophobicContact CE2-CG2 3.75Å; T1573-I1616 HydrophobicContact CG2-CD1 4.47Å; T1573-I1616 HydrophobicContact CG2-CG2 4.07Å; V1574-I1616 HydrophobicContact CB-CD1 4.4Å; V1574-I1616 HydrophobicContact CG2-CD1 3.65Å; V1574-I1616 HydrophobicContact CG2-CG2 4.32Å; E1577-I1616 HydrophobicContact CB-CD1 4.32Å; E1577-I1616 HydrophobicContact CG-CD1 4.07Å; L1612-I1616 HydrophobicContact CD2-CD1 3.82Å; L1612-I1616 HydrophobicContact CG-CD1 3.93Å; L1612-I1616 VanDerWaalsContact O-CG1 3.31Å; L1612-I1616 WeakPolarHBondContact O-CG1 3.14Å; L1612-I1616 PolarHBondContact O-N 3.03Å; L1612-I1616 VanDerWaalsContact O-N 3.14Å; V1614-I1616 VanDerWaalsContact C-N 3.35Å; V1614-I1616 PolarHBondContact O-N 3.05Å; I1616-M1620 WeakPolarHBondContact O-CB 3.43Å; I1616-M1620 PolarHBondContact O-N 3.5Å |
| 1617 | M | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.3 | -39.9 | 172.6 | -73.4 | -168.1 | -161.6 | 0 | 0 | 113.3 | F1570 L1613 V1614 M1620 I1621 L1638 L1641 L1642 S1645 I1655 | F1570-M1617 HydrophobicContact CD2-CG 4.21Å; F1570-M1617 HydrophobicContact CE1-CE 4.1Å; F1570-M1617 HydrophobicContact CE2-CB 4.39Å; F1570-M1617 HydrophobicContact CE2-CE 4.17Å; F1570-M1617 HydrophobicContact CE2-CG 3.41Å; F1570-M1617 VanDerWaalsContact CE2-CG 3.41Å; F1570-M1617 HydrophobicContact CZ-CE 3.54Å; F1570-M1617 HydrophobicContact CZ-CG 3.79Å; L1613-M1617 WeakPolarHBondContact O-CG 3.48Å; L1613-M1617 PolarHBondContact O-N 2.84Å; V1614-M1617 PolarHBondContact O-N 3.42Å; M1617-M1620 PolarHBondContact O-N 3.48Å; M1617-I1621 WeakPolarHBondContact O-CG1 3.27Å; M1617-I1621 PolarHBondContact O-N 2.98Å; M1617-L1638 HydrophobicContact CB-CD1 3.96Å; M1617-L1638 HydrophobicContact CG-CD1 4.1Å; M1617-L1638 HydrophobicContact SD-CD1 4.24Å; M1617-L1641 HydrophobicContact CE-CB 3.91Å; M1617-L1641 HydrophobicContact SD-CB 4.43Å; M1617-L1642 HydrophobicContact SD-CB 4.37Å; M1617-L1642 HydrophobicContact SD-CD1 3.9Å; M1617-S1645 WeakPolarHBondContact CE-OG 3.45Å; M1617-I1655 HydrophobicContact CB-CD1 3.88Å; M1617-I1655 HydrophobicContact CB-CG1 4.5Å |
| 1618 | H | 96 | Very high | 92.7 | Very high | 35 Ų | 35 | 18.7 Ų | 18.7 | 16% | 0.162 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.9 | -50.7 | 176.6 | 176.5 | 100.6 | 0 | 0 | 0 | 111 | V1614 N1615 M1620 I1621 A1622 I1655 D1671 N1673 | V1614-H1618 VanDerWaalsContact O-CB 3.29Å; V1614-H1618 WeakPolarHBondContact O-CB 3.41Å; V1614-H1618 PolarHBondContact O-N 3.17Å; N1615-H1618 PolarHBondContact O-N 3.43Å; H1618-M1620 VanDerWaalsContact C-N 3.29Å; H1618-M1620 PolarHBondContact O-N 3.01Å; H1618-I1621 WeakPolarHBondContact O-CB 3.28Å; H1618-I1621 PolarHBondContact O-N 3.39Å; H1618-I1621 VanDerWaalsContact O-N 3.1Å; H1618-A1622 PolarHBondContact O-N 3.46Å; H1618-A1622 VanDerWaalsContact O-N 3.14Å; H1618-I1655 HydrophobicContact CB-CD1 4.25Å; H1618-D1671 PolarHBondContact NE2-O 3.02Å; H1618-N1673 PolarHBondContact CD2-OD1 3.45Å; H1618-N1673 PolarHBondContact NE2-OD1 3.19Å |
| 1619 | N | 95.6 | Very high | 92.8 | Very high | 15 Ų | 15 | 15.5 Ų | 15.5 | 8% | 0.08 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.3 | -37.2 | 176.3 | -70.6 | -1.5 | 0 | 0 | 0 | 111.6 | N1615 I1621 A1622 F1623 L1672 N1673 | N1615-N1619 PolarHBondContact O-N 2.73Å; N1619-I1621 PolarHBondContact O-N 2.86Å; N1619-A1622 WeakPolarHBondContact O-CB 3.36Å; N1619-A1622 PolarHBondContact O-N 3.2Å; N1619-F1623 HydrophobicContact CB-CE2 4.14Å; N1619-F1623 HydrophobicContact CB-CZ 4.34Å; N1619-F1623 VanDerWaalsContact O-CD2 3.26Å; N1619-F1623 WeakPolarHBondContact O-CD2 3.46Å; N1619-F1623 WeakPolarHBondContact O-CG 3.39Å; N1619-F1623 PolarHBondContact O-N 3.11Å; N1619-L1672 HydrophobicContact CB-CD2 4.49Å; N1619-L1672 WeakPolarHBondContact OD1-CA 3.4Å; N1619-N1673 PolarHBondContact ND2-O 2.98Å; N1619-N1673 PolarHBondContact OD1-N 3.3Å |
| 1620 | M | 95.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.1 | -38.1 | 173.6 | -172.4 | 170.2 | 54.2 | 0 | 0 | 112.8 | F1004 W1566 F1570 I1616 M1617 H1618 F1623 M1624 L1638 L1641 | F1004-M1620 HydrophobicContact CE1-CB 4.13Å; F1004-M1620 HydrophobicContact CZ-CB 3.82Å; F1004-M1620 HydrophobicContact CZ-CG 4.15Å; F1004-M1620 HydrophobicContact CZ-SD 4.33Å; W1566-M1620 HydrophobicContact CB-SD 4.13Å; W1566-M1620 HydrophobicContact CE3-CG 4Å; W1566-M1620 HydrophobicContact CE3-SD 4.48Å; W1566-M1620 VanDerWaalsContact O-SD 3.39Å; F1570-M1620 HydrophobicContact CB-CE 4.16Å; F1570-M1620 HydrophobicContact CB-SD 3.86Å; F1570-M1620 HydrophobicContact CD2-CE 3.89Å; F1570-M1620 HydrophobicContact CD2-SD 4.4Å; F1570-M1620 HydrophobicContact CG-CE 4.15Å; F1570-M1620 HydrophobicContact CG-SD 4.45Å; I1616-M1620 WeakPolarHBondContact O-CB 3.43Å; I1616-M1620 PolarHBondContact O-N 3.5Å; M1617-M1620 PolarHBondContact O-N 3.48Å; H1618-M1620 VanDerWaalsContact C-N 3.29Å; H1618-M1620 PolarHBondContact O-N 3.01Å; M1620-F1623 PolarHBondContact O-N 3.49Å; M1620-M1624 HydrophobicContact CG-CG 4.14Å; M1620-M1624 HydrophobicContact CG-SD 3.95Å; M1620-M1624 WeakPolarHBondContact O-CB 3.36Å; M1620-M1624 VanDerWaalsContact O-CG 3.26Å; M1620-M1624 WeakPolarHBondContact O-CG 3.35Å; M1620-M1624 PolarHBondContact O-N 2.89Å; M1620-M1624 HydrophobicContact SD-SD 4.44Å; M1620-L1638 HydrophobicContact CE-CD1 3.67Å; M1620-L1638 HydrophobicContact CE-CD2 3.91Å; M1620-L1638 HydrophobicContact CE-CG 4.47Å; M1620-L1641 HydrophobicContact CE-CD1 3.74Å |
| 1621 | I | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 175.5 | -69.5 | 162.2 | 0 | 0 | 0 | 110.2 | M1617 H1618 N1619 M1624 L1625 L1638 I1655 L1658 L1659 L1662 I1670 | M1617-I1621 WeakPolarHBondContact O-CG1 3.27Å; M1617-I1621 PolarHBondContact O-N 2.98Å; H1618-I1621 WeakPolarHBondContact O-CB 3.28Å; H1618-I1621 PolarHBondContact O-N 3.39Å; H1618-I1621 VanDerWaalsContact O-N 3.1Å; N1619-I1621 PolarHBondContact O-N 2.86Å; I1621-M1624 PolarHBondContact O-N 2.77Å; I1621-L1625 VanDerWaalsContact O-CB 3.29Å; I1621-L1625 WeakPolarHBondContact O-CB 3.32Å; I1621-L1625 PolarHBondContact O-N 3.02Å; I1621-L1638 HydrophobicContact CD1-CD1 3.96Å; I1621-L1638 HydrophobicContact CD1-CG 4.02Å; I1621-L1638 HydrophobicContact CG1-CD1 3.82Å; I1621-L1638 HydrophobicContact CG1-CD2 4.39Å; I1621-L1638 HydrophobicContact CG1-CG 3.69Å; I1621-I1655 HydrophobicContact CD1-CD1 4.11Å; I1621-I1655 HydrophobicContact CD1-CG2 4.16Å; I1621-L1658 HydrophobicContact CB-CD2 4.13Å; I1621-L1658 HydrophobicContact CD1-CD2 3.92Å; I1621-L1658 HydrophobicContact CG2-CD2 3.88Å; I1621-L1658 HydrophobicContact CG2-CG 4.2Å; I1621-L1659 HydrophobicContact CD1-CD2 3.82Å; I1621-L1659 HydrophobicContact CD1-CG 4.27Å; I1621-L1659 HydrophobicContact CG1-CD2 4.25Å; I1621-L1662 HydrophobicContact CG2-CD2 3.96Å; I1621-I1670 HydrophobicContact CG2-CD1 3.95Å |
| 1622 | A | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.3 | -47.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H1618 N1619 M1624 L1625 M1626 I1670 L1672 | H1618-A1622 PolarHBondContact O-N 3.46Å; H1618-A1622 VanDerWaalsContact O-N 3.14Å; N1619-A1622 WeakPolarHBondContact O-CB 3.36Å; N1619-A1622 PolarHBondContact O-N 3.2Å; A1622-M1624 PolarHBondContact O-N 2.94Å; A1622-L1625 PolarHBondContact O-N 3.32Å; A1622-M1626 VanDerWaalsContact O-CB 3.23Å; A1622-M1626 WeakPolarHBondContact O-CB 3.41Å; A1622-M1626 PolarHBondContact O-N 2.76Å; A1622-I1670 HydrophobicContact CB-CB 3.86Å; A1622-I1670 HydrophobicContact CB-CG2 3.85Å; A1622-L1672 HydrophobicContact CB-CD2 3.54Å |
| 1623 | F | 94.2 | Very high | 92.7 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.018 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.2 | -38 | -179.8 | -59.5 | -26.8 | 0 | 0 | 0 | 113.7 | F1004 M1007 E1008 H1011 W1566 N1619 M1620 M1626 A1627 L1672 | F1004-F1623 HydrophobicContact CB-CE2 4.14Å; F1004-F1623 HydrophobicContact CD1-CD2 4.06Å; F1004-F1623 AromaticContact CD1-CE2 3.6Å; F1004-F1623 HydrophobicContact CD1-CE2 3.6Å; F1004-F1623 HydrophobicContact CE1-CD2 4.25Å; F1004-F1623 HydrophobicContact CE1-CE2 4.18Å; F1004-F1623 HydrophobicContact CG-CD2 4.34Å; F1004-F1623 AromaticContact CG-CE2 3.95Å; F1004-F1623 HydrophobicContact CG-CE2 3.95Å; M1007-F1623 HydrophobicContact CB-CB 4.06Å; M1007-F1623 HydrophobicContact CB-CD1 3.47Å; M1007-F1623 VanDerWaalsContact CB-CD1 3.47Å; M1007-F1623 HydrophobicContact CB-CD2 3.71Å; M1007-F1623 HydrophobicContact CB-CE1 3.69Å; M1007-F1623 HydrophobicContact CB-CE2 3.92Å; M1007-F1623 HydrophobicContact CB-CG 3.47Å; M1007-F1623 VanDerWaalsContact CB-CG 3.47Å; M1007-F1623 HydrophobicContact CB-CZ 3.92Å; M1007-F1623 HydrophobicContact CG-CB 4.26Å; M1007-F1623 HydrophobicContact CG-CD2 4.38Å; M1007-F1623 HydrophobicContact CG-CG 4.17Å; E1008-F1623 HydrophobicContact CB-CZ 4.26Å; H1011-F1623 HydrophobicContact CB-CE1 4.42Å; W1566-F1623 HydrophobicContact CH2-CB 3.89Å; W1566-F1623 HydrophobicContact CZ3-CB 3.71Å; N1619-F1623 HydrophobicContact CB-CE2 4.14Å; N1619-F1623 HydrophobicContact CB-CZ 4.34Å; N1619-F1623 VanDerWaalsContact O-CD2 3.26Å; N1619-F1623 WeakPolarHBondContact O-CD2 3.46Å; N1619-F1623 WeakPolarHBondContact O-CG 3.39Å; N1619-F1623 PolarHBondContact O-N 3.11Å; M1620-F1623 PolarHBondContact O-N 3.49Å; F1623-M1626 HydrophobicContact CD1-CE 4.19Å; F1623-A1627 VanDerWaalsContact O-CB 3.24Å; F1623-A1627 WeakPolarHBondContact O-CB 3.39Å; F1623-A1627 PolarHBondContact O-N 3.45Å; F1623-L1672 HydrophobicContact CD1-CD2 4.11Å; F1623-L1672 HydrophobicContact CE1-CD1 3.69Å; F1623-L1672 HydrophobicContact CE1-CD2 3.56Å; F1623-L1672 HydrophobicContact CE1-CG 4.29Å; F1623-L1672 HydrophobicContact CZ-CD1 4.12Å; F1623-L1672 HydrophobicContact CZ-CD2 4.15Å |
| 1624 | M | 93 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.3 | -35.3 | 175.3 | -69.3 | 179.9 | 84.5 | 0 | 0 | 112.2 | L1563 W1566 M1620 I1621 A1622 N1628 V1629 I1634 L1638 | L1563-M1624 HydrophobicContact CD2-CE 3.71Å; W1566-M1624 HydrophobicContact CB-CE 4.27Å; W1566-M1624 HydrophobicContact CB-SD 4.29Å; W1566-M1624 HydrophobicContact CD2-CE 4.42Å; W1566-M1624 HydrophobicContact CD2-CG 3.55Å; W1566-M1624 HydrophobicContact CD2-SD 4.22Å; W1566-M1624 HydrophobicContact CE3-CG 3.7Å; W1566-M1624 HydrophobicContact CG-CE 3.94Å; W1566-M1624 HydrophobicContact CG-CG 4.05Å; W1566-M1624 HydrophobicContact CG-SD 4.12Å; W1566-M1624 HydrophobicContact CH2-CG 4.17Å; W1566-M1624 HydrophobicContact CZ2-CG 4.05Å; W1566-M1624 HydrophobicContact CZ3-CG 4.01Å; M1620-M1624 HydrophobicContact CG-CG 4.14Å; M1620-M1624 HydrophobicContact CG-SD 3.95Å; M1620-M1624 WeakPolarHBondContact O-CB 3.36Å; M1620-M1624 VanDerWaalsContact O-CG 3.26Å; M1620-M1624 WeakPolarHBondContact O-CG 3.35Å; M1620-M1624 PolarHBondContact O-N 2.89Å; M1620-M1624 HydrophobicContact SD-SD 4.44Å; I1621-M1624 PolarHBondContact O-N 2.77Å; A1622-M1624 PolarHBondContact O-N 2.94Å; M1624-N1628 PolarHBondContact O-N 3.46Å; M1624-V1629 HydrophobicContact CB-CB 4.29Å; M1624-V1629 HydrophobicContact CB-CG2 4.26Å; M1624-V1629 HydrophobicContact CE-CB 4.47Å; M1624-V1629 HydrophobicContact CE-CG1 3.94Å; M1624-V1629 WeakPolarHBondContact O-CB 3.42Å; M1624-V1629 WeakPolarHBondContact O-CG2 3.4Å; M1624-V1629 PolarHBondContact O-N 2.98Å; M1624-I1634 HydrophobicContact CB-CD1 3.84Å; M1624-I1634 HydrophobicContact CB-CG1 3.91Å; M1624-I1634 HydrophobicContact CE-CG1 3.95Å; M1624-I1634 HydrophobicContact SD-CG1 4.34Å; M1624-L1638 HydrophobicContact SD-CD2 3.9Å |
| 1625 | L | 91.8 | Very high | 92.7 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 6% | 0.063 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.6 | -47.1 | 173.8 | -171.7 | 79.9 | 0 | 0 | 0 | 111.2 | I1621 A1622 A1627 N1628 L1662 L1665 I1670 | I1621-L1625 VanDerWaalsContact O-CB 3.29Å; I1621-L1625 WeakPolarHBondContact O-CB 3.32Å; I1621-L1625 PolarHBondContact O-N 3.02Å; A1622-L1625 PolarHBondContact O-N 3.32Å; L1625-A1627 VanDerWaalsContact C-N 3.34Å; L1625-A1627 PolarHBondContact O-N 3.21Å; L1625-N1628 WeakPolarHBondContact O-CA 3.29Å; L1625-N1628 PolarHBondContact O-N 2.9Å; L1625-L1662 HydrophobicContact CD1-CD2 3.84Å; L1625-L1665 HydrophobicContact CD2-CB 3.82Å; L1625-I1670 HydrophobicContact CD2-CD1 3.78Å; L1625-I1670 HydrophobicContact CD2-CG1 4.2Å |
| 1626 | M | 90 | Very high | 92.7 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.4 | -41.1 | 176.4 | -176.4 | -168 | 60.3 | 0 | 0 | 111.9 | M1007 A1010 H1011 F1546 F1550 A1622 F1623 N1628 G1667 | M1007-M1626 HydrophobicContact CB-CE 3.95Å; M1007-M1626 HydrophobicContact CG-CE 4.29Å; M1007-M1626 HydrophobicContact SD-CE 3.57Å; M1007-M1626 VanDerWaalsContact SD-CE 3.57Å; A1010-M1626 HydrophobicContact CB-CE 4.2Å; A1010-M1626 HydrophobicContact CB-SD 4.35Å; H1011-M1626 VanDerWaalsContact CA-SD 3.56Å; H1011-M1626 HydrophobicContact CB-CE 4.45Å; H1011-M1626 HydrophobicContact CB-SD 3.54Å; H1011-M1626 VanDerWaalsContact CB-SD 3.54Å; F1546-M1626 HydrophobicContact CB-CE 4.47Å; F1546-M1626 HydrophobicContact CB-CG 3.5Å; F1546-M1626 VanDerWaalsContact CB-CG 3.5Å; F1546-M1626 HydrophobicContact CB-SD 3.42Å; F1546-M1626 WeakPolarHBondContact CB-SD 3.39Å; F1546-M1626 HydrophobicContact CD1-CG 3.93Å; F1546-M1626 HydrophobicContact CD1-SD 4.02Å; F1546-M1626 HydrophobicContact CD2-CG 3.61Å; F1546-M1626 HydrophobicContact CE2-CG 4.31Å; F1546-M1626 HydrophobicContact CG-CG 3.41Å; F1546-M1626 VanDerWaalsContact CG-CG 3.41Å; F1546-M1626 HydrophobicContact CG-SD 3.79Å; F1550-M1626 VanDerWaalsContact CD2-O 3.3Å; F1550-M1626 WeakPolarHBondContact CD2-O 3.36Å; F1550-M1626 HydrophobicContact CE2-CE 4.12Å; F1550-M1626 HydrophobicContact CE2-CG 4.1Å; F1550-M1626 HydrophobicContact CZ-CE 4.49Å; A1622-M1626 VanDerWaalsContact O-CB 3.23Å; A1622-M1626 WeakPolarHBondContact O-CB 3.41Å; A1622-M1626 PolarHBondContact O-N 2.76Å; F1623-M1626 HydrophobicContact CD1-CE 4.19Å; M1626-N1628 PolarHBondContact O-N 3.32Å; M1626-G1667 WeakPolarHBondContact CA-O 3.24Å; M1626-G1667 WeakPolarHBondContact CB-O 3.4Å; M1626-G1667 PolarHBondContact N-O 2.9Å |
| 1627 | A | 87.8 | Confident | 92.6 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 14% | 0.14 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 3.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114 | F1550 W1566 F1623 L1625 V1629 | F1550-A1627 HydrophobicContact CE1-CB 4.36Å; F1550-A1627 HydrophobicContact CE2-CB 4.24Å; F1550-A1627 HydrophobicContact CZ-CB 3.98Å; W1566-A1627 HydrophobicContact CH2-CB 4.36Å; W1566-A1627 HydrophobicContact CZ2-CB 4Å; F1623-A1627 VanDerWaalsContact O-CB 3.24Å; F1623-A1627 WeakPolarHBondContact O-CB 3.39Å; F1623-A1627 PolarHBondContact O-N 3.45Å; L1625-A1627 VanDerWaalsContact C-N 3.34Å; L1625-A1627 PolarHBondContact O-N 3.21Å; A1627-V1629 VanDerWaalsContact C-N 3.34Å; A1627-V1629 HydrophobicContact CB-CG2 4.33Å; A1627-V1629 PolarHBondContact O-N 3.3Å |
| 1628 | N | 86.7 | Confident | 92.5 | Very high | 131 Ų | 131 | 34.7 Ų | 34.7 | 70% | 0.701 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 40.4 | 177.5 | -162.3 | 23.1 | 0 | 0 | 0 | 114.1 | M1624 L1625 M1626 | M1624-N1628 PolarHBondContact O-N 3.46Å; L1625-N1628 WeakPolarHBondContact O-CA 3.29Å; L1625-N1628 PolarHBondContact O-N 2.9Å; M1626-N1628 PolarHBondContact O-N 3.32Å |
| 1629 | V | 88.8 | Confident | 92.4 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 10% | 0.103 | 19% | 0.185 | C | C | . | . | trans | -72.8 | 146.2 | 172.8 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | L1563 W1566 M1624 A1627 R1631 I1634 | L1563-V1629 HydrophobicContact CD2-CG1 4.03Å; W1566-V1629 HydrophobicContact CZ2-CG2 4.43Å; M1624-V1629 HydrophobicContact CB-CB 4.29Å; M1624-V1629 HydrophobicContact CB-CG2 4.26Å; M1624-V1629 HydrophobicContact CE-CB 4.47Å; M1624-V1629 HydrophobicContact CE-CG1 3.94Å; M1624-V1629 WeakPolarHBondContact O-CB 3.42Å; M1624-V1629 WeakPolarHBondContact O-CG2 3.4Å; M1624-V1629 PolarHBondContact O-N 2.98Å; A1627-V1629 VanDerWaalsContact C-N 3.34Å; A1627-V1629 HydrophobicContact CB-CG2 4.33Å; A1627-V1629 PolarHBondContact O-N 3.3Å; V1629-R1631 PolarHBondContact O-N 2.04Å; V1629-I1634 HydrophobicContact CB-CD1 4.22Å; V1629-I1634 HydrophobicContact CB-CG1 4.18Å; V1629-I1634 HydrophobicContact CG1-CG1 4.14Å; V1629-I1634 WeakPolarHBondContact O-CD1 3.32Å | ||
| 1630 | D | 89.2 | Confident | 92.1 | Very high | 79 Ų | 79 | 45.6 Ų | 45.6 | 42% | 0.422 | 21% | 0.214 | S | C | . | . | trans | -51 | 121.9 | 177.2 | 159.1 | 41 | 0 | 0 | 0 | 112.6 | I1632 S1633 I1634 | D1630-I1632 PolarHBondContact O-N 3.04Å; D1630-I1632 WeakPolarHBondContact OD1-CB 3.17Å; D1630-I1632 PolarHBondContact OD1-N 3.39Å; D1630-S1633 CarbonylContact O-C 3.48Å; D1630-S1633 WeakPolarHBondContact O-CA 3.39Å; D1630-S1633 WeakPolarHBondContact O-CB 3.19Å; D1630-S1633 PolarHBondContact O-N 2.77Å; D1630-S1633 WeakPolarHBondContact OD2-CB 3.29Å; D1630-S1633 PolarHBondContact OD2-N 3.04Å; D1630-S1633 PolarHBondContact OD2-OG 2.74Å; D1630-I1634 WeakPolarHBondContact O-CG1 3.39Å; D1630-I1634 PolarHBondContact O-N 3.24Å | ||
| 1631 | R | 91.7 | Very high | 91.8 | Very high | 75 Ų | 75 | 45.7 Ų | 45.7 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.3 | -27.3 | 179.3 | -67.3 | 174.3 | 172.1 | 163.5 | -5.5 | 113.7 | V1629 R1635 L1662 N1663 L1665 N1666 | V1629-R1631 PolarHBondContact O-N 2.04Å; R1631-R1635 WeakPolarHBondContact O-CG 3.39Å; R1631-R1635 PolarHBondContact O-N 2.91Å; R1631-L1662 WeakPolarHBondContact CD-O 3.27Å; R1631-L1662 PolarHBondContact NE-O 3.01Å; R1631-N1663 PolarHBondContact NH1-O 3.12Å; R1631-L1665 PolarHBondContact NH2-O 3.22Å; R1631-N1666 PolarHBondContact NH2-OD1 3.18Å |
| 1632 | I | 91.4 | Very high | 91.6 | Very high | 99 Ų | 99 | 46.1 Ų | 46.1 | 51% | 0.508 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -74.6 | -44.6 | 175.7 | -57.8 | 174.6 | 0 | 0 | 0 | 109.6 | D1630 R1635 K1636 | D1630-I1632 PolarHBondContact O-N 3.04Å; D1630-I1632 WeakPolarHBondContact OD1-CB 3.17Å; D1630-I1632 PolarHBondContact OD1-N 3.39Å; I1632-R1635 PolarHBondContact O-N 2.85Å; I1632-K1636 HydrophobicContact CG2-CD 4.1Å; I1632-K1636 WeakPolarHBondContact O-CB 3.37Å; I1632-K1636 WeakPolarHBondContact O-CG 3.46Å; I1632-K1636 PolarHBondContact O-N 3.2Å |
| 1633 | S | 91.8 | Very high | 91.2 | Very high | 32 Ų | 32 | 49.2 Ų | 49.2 | 22% | 0.224 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.3 | -41.3 | 174.5 | -68.7 | 0 | 0 | 0 | 0 | 113.1 | D1630 K1636 K1637 | D1630-S1633 CarbonylContact O-C 3.48Å; D1630-S1633 WeakPolarHBondContact O-CA 3.39Å; D1630-S1633 WeakPolarHBondContact O-CB 3.19Å; D1630-S1633 PolarHBondContact O-N 2.77Å; D1630-S1633 WeakPolarHBondContact OD2-CB 3.29Å; D1630-S1633 PolarHBondContact OD2-N 3.04Å; D1630-S1633 PolarHBondContact OD2-OG 2.74Å; S1633-K1636 PolarHBondContact O-N 2.9Å; S1633-K1637 VanDerWaalsContact O-CB 3.25Å; S1633-K1637 WeakPolarHBondContact O-CB 3.16Å; S1633-K1637 PolarHBondContact O-N 3.47Å |
| 1634 | I | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.2 | -55.8 | 172 | -65.4 | 171 | 0 | 0 | 0 | 109.3 | M1624 V1629 D1630 K1636 K1637 L1638 L1659 L1662 | M1624-I1634 HydrophobicContact CB-CD1 3.84Å; M1624-I1634 HydrophobicContact CB-CG1 3.91Å; M1624-I1634 HydrophobicContact CE-CG1 3.95Å; M1624-I1634 HydrophobicContact SD-CG1 4.34Å; V1629-I1634 HydrophobicContact CB-CD1 4.22Å; V1629-I1634 HydrophobicContact CB-CG1 4.18Å; V1629-I1634 HydrophobicContact CG1-CG1 4.14Å; V1629-I1634 WeakPolarHBondContact O-CD1 3.32Å; D1630-I1634 WeakPolarHBondContact O-CG1 3.39Å; D1630-I1634 PolarHBondContact O-N 3.24Å; I1634-K1636 PolarHBondContact O-N 2.93Å; I1634-K1637 PolarHBondContact O-N 3.04Å; I1634-L1638 HydrophobicContact CG2-CD2 4.25Å; I1634-L1638 WeakPolarHBondContact O-CB 3.18Å; I1634-L1638 WeakPolarHBondContact O-CD2 3.42Å; I1634-L1638 PolarHBondContact O-N 3.14Å; I1634-L1659 HydrophobicContact CG2-CD2 4.21Å; I1634-L1662 HydrophobicContact CB-CD1 4.34Å; I1634-L1662 HydrophobicContact CG2-CD1 3.78Å |
| 1635 | R | 94.7 | Very high | 90.5 | Very high | 49 Ų | 49 | 53.5 Ų | 53.5 | 19% | 0.185 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.8 | -51.5 | 178.7 | -72.8 | 178.5 | 177.2 | 113.6 | -6.4 | 112.3 | R1631 I1632 K1637 L1638 Q1639 L1659 N1660 L1662 N1663 | R1631-R1635 WeakPolarHBondContact O-CG 3.39Å; R1631-R1635 PolarHBondContact O-N 2.91Å; I1632-R1635 PolarHBondContact O-N 2.85Å; R1635-K1637 VanDerWaalsContact C-N 3.31Å; R1635-K1637 PolarHBondContact O-N 3.28Å; R1635-L1638 PolarHBondContact O-N 3.4Å; R1635-Q1639 VanDerWaalsContact O-CB 3.3Å; R1635-Q1639 WeakPolarHBondContact O-CB 3.37Å; R1635-Q1639 VanDerWaalsContact O-CG 3.26Å; R1635-Q1639 WeakPolarHBondContact O-CG 3.49Å; R1635-Q1639 PolarHBondContact O-N 2.92Å; R1635-L1659 HydrophobicContact CG-CB 4.4Å; R1635-L1659 HydrophobicContact CG-CD2 4.29Å; R1635-L1659 VanDerWaalsContact CZ-O 3.25Å; R1635-L1659 PolarHBondContact NE-O 3.08Å; R1635-L1659 PolarHBondContact NH2-O 2.83Å; R1635-N1660 PolarHBondContact NH2-O 3.34Å; R1635-L1662 HydrophobicContact CG-CD1 3.85Å; R1635-N1663 VanDerWaalsContact CZ-OD1 3.31Å; R1635-N1663 PolarHBondContact NH1-OD1 2.99Å; R1635-N1663 PolarHBondContact NH2-OD1 2.66Å |
| 1636 | K | 92.7 | Very high | 90.3 | Very high | 131 Ų | 131 | 58.2 Ų | 58.2 | 57% | 0.57 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.2 | -35.8 | -179.5 | -75 | 178.7 | 178.7 | 177.9 | 0 | 113 | I1632 S1633 I1634 R1640 | I1632-K1636 HydrophobicContact CG2-CD 4.1Å; I1632-K1636 WeakPolarHBondContact O-CB 3.37Å; I1632-K1636 WeakPolarHBondContact O-CG 3.46Å; I1632-K1636 PolarHBondContact O-N 3.2Å; S1633-K1636 PolarHBondContact O-N 2.9Å; I1634-K1636 PolarHBondContact O-N 2.93Å; K1636-R1640 WeakPolarHBondContact O-CD 3.27Å; K1636-R1640 VanDerWaalsContact O-CG 3.28Å; K1636-R1640 WeakPolarHBondContact O-CG 3.24Å |
| 1637 | K | 93 | Very high | 90.1 | Very high | 26 Ų | 26 | 58.7 Ų | 58.7 | 11% | 0.113 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -76.4 | -48.4 | 179.4 | -170.5 | 71.5 | -176.8 | -154.9 | 0 | 111.4 | L1563 E1567 S1633 I1634 R1635 R1640 L1641 | L1563-K1637 HydrophobicContact CB-CD 4.16Å; L1563-K1637 WeakPolarHBondContact O-CE 3.28Å; L1563-K1637 PolarHBondContact O-NZ 3.48Å; E1567-K1637 VanDerWaalsContact CB-CE 3.45Å; E1567-K1637 WeakPolarHBondContact OE2-CE 3.33Å; E1567-K1637 IonicContact OE2-NZ 3.59Å; E1567-K1637 PolarHBondContact OE2-NZ 3.24Å; S1633-K1637 VanDerWaalsContact O-CB 3.25Å; S1633-K1637 WeakPolarHBondContact O-CB 3.16Å; S1633-K1637 PolarHBondContact O-N 3.47Å; I1634-K1637 PolarHBondContact O-N 3.04Å; R1635-K1637 VanDerWaalsContact C-N 3.31Å; R1635-K1637 PolarHBondContact O-N 3.28Å; K1637-R1640 PolarHBondContact O-N 3.2Å; K1637-L1641 HydrophobicContact CG-CD1 4.33Å; K1637-L1641 PolarHBondContact O-N 3.47Å |
| 1638 | L | 94.5 | Very high | 90 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.5 | -40.8 | -178.8 | -87 | -73.5 | 0 | 0 | 0 | 112 | M1617 M1620 I1621 M1624 I1634 R1635 R1640 L1641 L1642 L1659 | M1617-L1638 HydrophobicContact CB-CD1 3.96Å; M1617-L1638 HydrophobicContact CG-CD1 4.1Å; M1617-L1638 HydrophobicContact SD-CD1 4.24Å; M1620-L1638 HydrophobicContact CE-CD1 3.67Å; M1620-L1638 HydrophobicContact CE-CD2 3.91Å; M1620-L1638 HydrophobicContact CE-CG 4.47Å; I1621-L1638 HydrophobicContact CD1-CD1 3.96Å; I1621-L1638 HydrophobicContact CD1-CG 4.02Å; I1621-L1638 HydrophobicContact CG1-CD1 3.82Å; I1621-L1638 HydrophobicContact CG1-CD2 4.39Å; I1621-L1638 HydrophobicContact CG1-CG 3.69Å; M1624-L1638 HydrophobicContact SD-CD2 3.9Å; I1634-L1638 HydrophobicContact CG2-CD2 4.25Å; I1634-L1638 WeakPolarHBondContact O-CB 3.18Å; I1634-L1638 WeakPolarHBondContact O-CD2 3.42Å; I1634-L1638 PolarHBondContact O-N 3.14Å; R1635-L1638 PolarHBondContact O-N 3.4Å; L1638-R1640 VanDerWaalsContact C-N 3.28Å; L1638-R1640 PolarHBondContact O-N 3.39Å; L1638-L1641 PolarHBondContact O-N 3Å; L1638-L1642 VanDerWaalsContact O-CB 3.27Å; L1638-L1642 WeakPolarHBondContact O-CB 3.34Å; L1638-L1642 PolarHBondContact O-N 2.87Å; L1638-L1659 HydrophobicContact CB-CD1 4Å; L1638-L1659 HydrophobicContact CB-CD2 4.08Å; L1638-L1659 HydrophobicContact CG-CD2 4.41Å |
| 1639 | Q | 92.3 | Very high | 90.1 | Very high | 95 Ų | 95 | 59.6 Ų | 59.6 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.1 | -36.5 | 175.2 | -73.9 | 174.2 | -27.8 | 0 | 0 | 112.5 | R1635 A1643 L1659 | R1635-Q1639 VanDerWaalsContact O-CB 3.3Å; R1635-Q1639 WeakPolarHBondContact O-CB 3.37Å; R1635-Q1639 VanDerWaalsContact O-CG 3.26Å; R1635-Q1639 WeakPolarHBondContact O-CG 3.49Å; R1635-Q1639 PolarHBondContact O-N 2.92Å; Q1639-A1643 WeakPolarHBondContact O-CB 3.29Å; Q1639-A1643 PolarHBondContact O-N 3Å; Q1639-A1643 VanDerWaalsContact O-N 3.1Å; Q1639-L1659 HydrophobicContact CG-CD1 3.97Å |
| 1640 | R | 90.4 | Very high | 90.1 | Very high | 184 Ų | 184 | 63.9 Ų | 63.9 | 69% | 0.694 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -68.9 | -42.2 | 174.3 | -74.3 | 174.5 | 176.7 | -170.7 | -1.8 | 112.1 | K1636 K1637 L1638 A1643 K1644 | K1636-R1640 WeakPolarHBondContact O-CD 3.27Å; K1636-R1640 VanDerWaalsContact O-CG 3.28Å; K1636-R1640 WeakPolarHBondContact O-CG 3.24Å; K1637-R1640 PolarHBondContact O-N 3.2Å; L1638-R1640 VanDerWaalsContact C-N 3.28Å; L1638-R1640 PolarHBondContact O-N 3.39Å; R1640-A1643 PolarHBondContact O-N 2.86Å; R1640-K1644 WeakPolarHBondContact O-CG 3.37Å; R1640-K1644 PolarHBondContact O-N 3.35Å |
| 1641 | L | 89.8 | Confident | 90.1 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 176.3 | -74.3 | 171.2 | 0 | 0 | 0 | 111.5 | E1567 F1570 M1617 M1620 K1637 L1638 A1643 K1644 S1645 | E1567-L1641 HydrophobicContact CG-CD2 3.98Å; F1570-L1641 HydrophobicContact CD1-CD2 4.4Å; M1617-L1641 HydrophobicContact CE-CB 3.91Å; M1617-L1641 HydrophobicContact SD-CB 4.43Å; M1620-L1641 HydrophobicContact CE-CD1 3.74Å; K1637-L1641 HydrophobicContact CG-CD1 4.33Å; K1637-L1641 PolarHBondContact O-N 3.47Å; L1638-L1641 PolarHBondContact O-N 3Å; L1641-A1643 VanDerWaalsContact C-N 3.29Å; L1641-A1643 PolarHBondContact O-N 3.12Å; L1641-K1644 PolarHBondContact O-N 3.01Å; L1641-S1645 WeakPolarHBondContact O-CB 3.38Å; L1641-S1645 PolarHBondContact O-N 3.11Å; L1641-S1645 PolarHBondContact O-OG 3.5Å |
| 1642 | L | 90.8 | Very high | 90.1 | Very high | 10 Ų | 10 | 59.4 Ų | 59.4 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 177.8 | -164.5 | 71.8 | 0 | 0 | 0 | 112.2 | V1614 M1617 L1638 S1645 H1646 T1647 I1655 N1656 | V1614-L1642 HydrophobicContact CG2-CD1 4.35Å; M1617-L1642 HydrophobicContact SD-CB 4.37Å; M1617-L1642 HydrophobicContact SD-CD1 3.9Å; L1638-L1642 VanDerWaalsContact O-CB 3.27Å; L1638-L1642 WeakPolarHBondContact O-CB 3.34Å; L1638-L1642 PolarHBondContact O-N 2.87Å; L1642-S1645 VanDerWaalsContact CA-OG 3.32Å; L1642-S1645 WeakPolarHBondContact CA-OG 3.32Å; L1642-S1645 PolarHBondContact O-OG 3.29Å; L1642-H1646 PolarHBondContact O-N 2.84Å; L1642-T1647 WeakPolarHBondContact CD1-OG1 3.27Å; L1642-I1655 HydrophobicContact CD1-CB 4.11Å; L1642-I1655 HydrophobicContact CD1-CG1 4.11Å; L1642-I1655 HydrophobicContact CD1-CG2 4.22Å; L1642-I1655 HydrophobicContact CD2-CB 4.21Å; L1642-I1655 HydrophobicContact CD2-CG2 4.03Å; L1642-N1656 VanDerWaalsContact CD2-ND2 3.34Å; L1642-N1656 WeakPolarHBondContact CD2-ND2 3.38Å |
| 1643 | A | 87.5 | Confident | 90.1 | Very high | 65 Ų | 65 | 62.1 Ų | 62.1 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.1 | -51 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | Q1639 R1640 L1641 S1645 H1646 | Q1639-A1643 WeakPolarHBondContact O-CB 3.29Å; Q1639-A1643 PolarHBondContact O-N 3Å; Q1639-A1643 VanDerWaalsContact O-N 3.1Å; R1640-A1643 PolarHBondContact O-N 2.86Å; L1641-A1643 VanDerWaalsContact C-N 3.29Å; L1641-A1643 PolarHBondContact O-N 3.12Å; A1643-S1645 PolarHBondContact O-N 3.22Å; A1643-H1646 PolarHBondContact O-N 3.21Å; A1643-H1646 VanDerWaalsContact O-N 3.09Å |
| 1644 | K | 85.4 | Confident | 90.2 | Very high | 93 Ų | 93 | 65.9 Ų | 65.9 | 40% | 0.404 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.8 | -33.8 | 174.8 | -75.4 | -176 | 175.4 | -173 | 0 | 112.6 | L493 E1567 R1640 L1641 H1646 | L493-K1644 HydrophobicContact CD2-CB 3.62Å; L493-K1644 WeakPolarHBondContact CD2-O 3.36Å; E1567-K1644 IonicContact OE1-NZ 3.29Å; E1567-K1644 PolarHBondContact OE1-NZ 2.97Å; R1640-K1644 WeakPolarHBondContact O-CG 3.37Å; R1640-K1644 PolarHBondContact O-N 3.35Å; L1641-K1644 PolarHBondContact O-N 3.01Å; K1644-H1646 VanDerWaalsContact C-N 3.3Å; K1644-H1646 PolarHBondContact O-CD2 3.28Å; K1644-H1646 PolarHBondContact O-N 3.24Å |
| 1645 | S | 87.3 | Confident | 90.2 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -0.8 | -178.9 | 60.5 | 0 | 0 | 0 | 0 | 113.9 | R494 M1617 L1641 L1642 A1643 T1647 | R494-S1645 VanDerWaalsContact CD-O 3.31Å; R494-S1645 WeakPolarHBondContact CD-O 3.14Å; R494-S1645 PolarHBondContact NH1-O 3Å; M1617-S1645 WeakPolarHBondContact CE-OG 3.45Å; L1641-S1645 WeakPolarHBondContact O-CB 3.38Å; L1641-S1645 PolarHBondContact O-N 3.11Å; L1641-S1645 PolarHBondContact O-OG 3.5Å; L1642-S1645 VanDerWaalsContact CA-OG 3.32Å; L1642-S1645 WeakPolarHBondContact CA-OG 3.32Å; L1642-S1645 PolarHBondContact O-OG 3.29Å; A1643-S1645 PolarHBondContact O-N 3.22Å; S1645-T1647 PolarHBondContact O-N 3.26Å |
| 1646 | H | 86.4 | Confident | 90.2 | Very high | 112 Ų | 112 | 65.8 Ų | 65.8 | 52% | 0.519 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 34.2 | 175 | -66.1 | -81.9 | 0 | 0 | 0 | 115.2 | L1642 A1643 K1644 | L1642-H1646 PolarHBondContact O-N 2.84Å; A1643-H1646 PolarHBondContact O-N 3.21Å; A1643-H1646 VanDerWaalsContact O-N 3.09Å; K1644-H1646 VanDerWaalsContact C-N 3.3Å; K1644-H1646 PolarHBondContact O-CD2 3.28Å; K1644-H1646 PolarHBondContact O-N 3.24Å |
| 1647 | T | 86.9 | Confident | 90.2 | Very high | 16 Ų | 16 | 64 Ų | 64 | 10% | 0.098 | 31% | 0.311 | C | S | . | . | trans | -68.9 | 140.9 | -174.3 | 48.9 | 0 | 0 | 0 | 0 | 112.1 | D1610 L1613 V1614 L1642 S1645 | D1610-T1647 WeakPolarHBondContact OD1-CA 3.42Å; L1613-T1647 HydrophobicContact CB-CG2 4.43Å; V1614-T1647 HydrophobicContact CG2-CG2 4.17Å; L1642-T1647 WeakPolarHBondContact CD1-OG1 3.27Å; S1645-T1647 PolarHBondContact O-N 3.26Å | ||
| 1648 | G | 85.8 | Confident | 90.3 | Very high | 32 Ų | 32 | 63.9 Ų | 63.9 | 33% | 0.33 | 31% | 0.312 | S | S | . | . | trans | -57.9 | 151.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1610 H1650 Y1651 S1652 | D1610-G1648 WeakPolarHBondContact OD2-CA 3.28Å; D1610-G1648 PolarHBondContact OD2-N 2.85Å; G1648-H1650 PolarHBondContact O-N 2.95Å; G1648-H1650 VanDerWaalsContact O-N 3.08Å; G1648-Y1651 PolarHBondContact O-N 3.49Å; G1648-S1652 WeakPolarHBondContact O-CB 3.38Å; G1648-S1652 PolarHBondContact O-N 3.44Å | ||
| 1649 | L | 87.7 | Confident | 90.2 | Very high | 134 Ų | 134 | 64 Ų | 64 | 70% | 0.702 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -53.3 | -37.1 | -169.3 | -177.6 | 61.9 | 0 | 0 | 0 | 114 | R1653 | L1649-R1653 VanDerWaalsContact O-CB 3.3Å; L1649-R1653 WeakPolarHBondContact O-CB 3.47Å; L1649-R1653 PolarHBondContact O-N 3.24Å |
| 1650 | H | 88.3 | Confident | 90.2 | Very high | 108 Ų | 108 | 64.5 Ų | 64.5 | 50% | 0.5 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.9 | -49.5 | 176.6 | 164.7 | -112.9 | 0 | 0 | 0 | 112.6 | G1648 K1654 | G1648-H1650 PolarHBondContact O-N 2.95Å; G1648-H1650 VanDerWaalsContact O-N 3.08Å; H1650-K1654 WeakPolarHBondContact NE2-CE 3.28Å; H1650-K1654 PolarHBondContact O-N 2.86Å |
| 1651 | Y | 90 | Very high | 90.3 | Very high | 34 Ų | 34 | 57.7 Ų | 57.7 | 13% | 0.133 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -74.8 | -37.7 | -179.8 | -78.4 | -74.9 | 0 | 0 | 0 | 111.8 | L1607 D1610 C1611 V1614 G1648 R1653 K1654 I1655 | L1607-Y1651 HydrophobicContact CD2-CD2 4.37Å; L1607-Y1651 HydrophobicContact CD2-CE2 3.85Å; D1610-Y1651 HydrophobicContact CB-CD2 3.49Å; D1610-Y1651 VanDerWaalsContact CB-CD2 3.49Å; D1610-Y1651 HydrophobicContact CB-CE2 3.89Å; D1610-Y1651 HydrophobicContact CB-CG 3.96Å; C1611-Y1651 HydrophobicContact CB-CE1 3.97Å; C1611-Y1651 WeakPolarHBondContact CB-OH 3.4Å; V1614-Y1651 HydrophobicContact CB-CD1 4.12Å; V1614-Y1651 HydrophobicContact CG1-CD1 4.06Å; G1648-Y1651 PolarHBondContact O-N 3.49Å; Y1651-R1653 VanDerWaalsContact C-N 3.33Å; Y1651-R1653 PolarHBondContact O-N 3.5Å; Y1651-K1654 PolarHBondContact O-N 3.04Å; Y1651-I1655 PolarHBondContact O-N 2.91Å |
| 1652 | S | 91.1 | Very high | 90.4 | Very high | 26 Ų | 26 | 57.6 Ų | 57.6 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59 | -40.6 | 172.1 | -179.6 | 0 | 0 | 0 | 0 | 112.5 | G1648 I1655 N1656 | G1648-S1652 WeakPolarHBondContact O-CB 3.38Å; G1648-S1652 PolarHBondContact O-N 3.44Å; S1652-I1655 PolarHBondContact O-N 2.8Å; S1652-N1656 PolarHBondContact O-N 3.05Å; S1652-N1656 VanDerWaalsContact O-N 3.12Å; S1652-N1656 PolarHBondContact O-ND2 2.89Å |
| 1653 | R | 92.9 | Very high | 90.3 | Very high | 155 Ų | 155 | 61 Ų | 61 | 59% | 0.585 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.9 | -46.5 | 176.4 | -178.7 | 173.9 | -71.7 | 165.4 | -2.7 | 112 | L1649 Y1651 I1655 N1656 D1657 | L1649-R1653 VanDerWaalsContact O-CB 3.3Å; L1649-R1653 WeakPolarHBondContact O-CB 3.47Å; L1649-R1653 PolarHBondContact O-N 3.24Å; Y1651-R1653 VanDerWaalsContact C-N 3.33Å; Y1651-R1653 PolarHBondContact O-N 3.5Å; R1653-I1655 VanDerWaalsContact C-N 3.32Å; R1653-I1655 PolarHBondContact O-N 2.87Å; R1653-N1656 PolarHBondContact O-N 2.88Å; R1653-D1657 VanDerWaalsContact CG-OD2 3.3Å; R1653-D1657 WeakPolarHBondContact CG-OD2 3.33Å; R1653-D1657 VanDerWaalsContact O-CG 3.3Å; R1653-D1657 PolarHBondContact O-N 2.83Å |
| 1654 | K | 92.5 | Very high | 90.5 | Very high | 111 Ų | 111 | 67 Ų | 67 | 48% | 0.483 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -52.8 | -46.2 | 178.2 | -68.9 | -177.5 | 178.1 | -176.2 | 0 | 113 | H1650 Y1651 L1658 | H1650-K1654 WeakPolarHBondContact NE2-CE 3.28Å; H1650-K1654 PolarHBondContact O-N 2.86Å; Y1651-K1654 PolarHBondContact O-N 3.04Å; K1654-L1658 PolarHBondContact O-N 3.33Å |
| 1655 | I | 94.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 176.5 | -68 | -63.9 | 0 | 0 | 0 | 111.2 | V1614 M1617 H1618 I1621 L1642 Y1651 S1652 R1653 D1657 L1658 L1659 | V1614-I1655 HydrophobicContact CB-CG1 4.35Å; V1614-I1655 HydrophobicContact CG1-CD1 3.95Å; V1614-I1655 HydrophobicContact CG1-CG1 3.81Å; V1614-I1655 HydrophobicContact CG2-CG1 3.89Å; M1617-I1655 HydrophobicContact CB-CD1 3.88Å; M1617-I1655 HydrophobicContact CB-CG1 4.5Å; H1618-I1655 HydrophobicContact CB-CD1 4.25Å; I1621-I1655 HydrophobicContact CD1-CD1 4.11Å; I1621-I1655 HydrophobicContact CD1-CG2 4.16Å; L1642-I1655 HydrophobicContact CD1-CB 4.11Å; L1642-I1655 HydrophobicContact CD1-CG1 4.11Å; L1642-I1655 HydrophobicContact CD1-CG2 4.22Å; L1642-I1655 HydrophobicContact CD2-CB 4.21Å; L1642-I1655 HydrophobicContact CD2-CG2 4.03Å; Y1651-I1655 PolarHBondContact O-N 2.91Å; S1652-I1655 PolarHBondContact O-N 2.8Å; R1653-I1655 VanDerWaalsContact C-N 3.32Å; R1653-I1655 PolarHBondContact O-N 2.87Å; I1655-D1657 PolarHBondContact O-N 3.07Å; I1655-L1658 PolarHBondContact O-N 3.39Å; I1655-L1659 HydrophobicContact CG2-CD1 3.92Å; I1655-L1659 HydrophobicContact CG2-CG 4.14Å; I1655-L1659 WeakPolarHBondContact O-CB 3.37Å; I1655-L1659 VanDerWaalsContact O-CG 3.27Å; I1655-L1659 WeakPolarHBondContact O-CG 3.38Å; I1655-L1659 PolarHBondContact O-N 3.05Å |
| 1656 | N | 93.5 | Very high | 90.8 | Very high | 45 Ų | 45 | 68.3 Ų | 68.3 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 179.7 | -77.6 | -72.7 | 0 | 0 | 0 | 112.9 | L1642 S1652 R1653 L1659 N1660 | L1642-N1656 VanDerWaalsContact CD2-ND2 3.34Å; L1642-N1656 WeakPolarHBondContact CD2-ND2 3.38Å; S1652-N1656 PolarHBondContact O-N 3.05Å; S1652-N1656 VanDerWaalsContact O-N 3.12Å; S1652-N1656 PolarHBondContact O-ND2 2.89Å; R1653-N1656 PolarHBondContact O-N 2.88Å; N1656-L1659 CarbonylContact O-C 3.58Å; N1656-L1659 PolarHBondContact O-N 2.86Å; N1656-N1660 PolarHBondContact O-N 3.31Å; N1656-N1660 PolarHBondContact O-ND2 2.8Å; N1656-N1660 VanDerWaalsContact O-ND2 3.14Å |
| 1657 | D | 94 | Very high | 90.7 | Very high | 93 Ų | 93 | 64 Ų | 64 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 176.5 | -64.2 | -25.8 | 0 | 0 | 0 | 111.3 | R1653 I1655 N1660 S1661 | R1653-D1657 VanDerWaalsContact CG-OD2 3.3Å; R1653-D1657 WeakPolarHBondContact CG-OD2 3.33Å; R1653-D1657 VanDerWaalsContact O-CG 3.3Å; R1653-D1657 PolarHBondContact O-N 2.83Å; I1655-D1657 PolarHBondContact O-N 3.07Å; D1657-N1660 WeakPolarHBondContact O-CB 3.41Å; D1657-N1660 PolarHBondContact O-N 2.93Å; D1657-S1661 PolarHBondContact O-N 2.78Å; D1657-S1661 VanDerWaalsContact O-N 3.13Å |
| 1658 | L | 94.2 | Very high | 90.7 | Very high | 24 Ų | 24 | 65.1 Ų | 65.1 | 13% | 0.126 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 171.5 | -175.7 | 63.3 | 0 | 0 | 0 | 111.5 | I1621 K1654 I1655 N1660 S1661 L1662 L1665 I1670 | I1621-L1658 HydrophobicContact CB-CD2 4.13Å; I1621-L1658 HydrophobicContact CD1-CD2 3.92Å; I1621-L1658 HydrophobicContact CG2-CD2 3.88Å; I1621-L1658 HydrophobicContact CG2-CG 4.2Å; K1654-L1658 PolarHBondContact O-N 3.33Å; I1655-L1658 PolarHBondContact O-N 3.39Å; L1658-N1660 PolarHBondContact O-N 2.94Å; L1658-S1661 PolarHBondContact O-N 3.48Å; L1658-S1661 VanDerWaalsContact O-N 3.09Å; L1658-S1661 PolarHBondContact O-OG 3.06Å; L1658-L1662 PolarHBondContact O-N 3.35Å; L1658-L1662 VanDerWaalsContact O-N 3.15Å; L1658-L1665 HydrophobicContact CD1-CD1 3.92Å; L1658-I1670 HydrophobicContact CD1-CD1 3.98Å; L1658-I1670 HydrophobicContact CD1-CG1 4.25Å |
| 1659 | L | 93.5 | Very high | 91 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.3 | -29.3 | 176.2 | -70.5 | -179.4 | 0 | 0 | 0 | 112.9 | I1621 I1634 R1635 L1638 Q1639 I1655 N1656 L1662 | I1621-L1659 HydrophobicContact CD1-CD2 3.82Å; I1621-L1659 HydrophobicContact CD1-CG 4.27Å; I1621-L1659 HydrophobicContact CG1-CD2 4.25Å; I1634-L1659 HydrophobicContact CG2-CD2 4.21Å; R1635-L1659 HydrophobicContact CG-CB 4.4Å; R1635-L1659 HydrophobicContact CG-CD2 4.29Å; R1635-L1659 VanDerWaalsContact CZ-O 3.25Å; R1635-L1659 PolarHBondContact NE-O 3.08Å; R1635-L1659 PolarHBondContact NH2-O 2.83Å; L1638-L1659 HydrophobicContact CB-CD1 4Å; L1638-L1659 HydrophobicContact CB-CD2 4.08Å; L1638-L1659 HydrophobicContact CG-CD2 4.41Å; Q1639-L1659 HydrophobicContact CG-CD1 3.97Å; I1655-L1659 HydrophobicContact CG2-CD1 3.92Å; I1655-L1659 HydrophobicContact CG2-CG 4.14Å; I1655-L1659 WeakPolarHBondContact O-CB 3.37Å; I1655-L1659 VanDerWaalsContact O-CG 3.27Å; I1655-L1659 WeakPolarHBondContact O-CG 3.38Å; I1655-L1659 PolarHBondContact O-N 3.05Å; N1656-L1659 CarbonylContact O-C 3.58Å; N1656-L1659 PolarHBondContact O-N 2.86Å; L1659-L1662 HydrophobicContact CB-CD1 4.48Å; L1659-L1662 HydrophobicContact CD2-CD1 3.55Å; L1659-L1662 HydrophobicContact CD2-CG 4.49Å |
| 1660 | N | 92.2 | Very high | 91.2 | Very high | 107 Ų | 107 | 62 Ų | 62 | 57% | 0.572 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -68.1 | -48.1 | 172.3 | -69.8 | -32.6 | 0 | 0 | 0 | 110.3 | R1635 N1656 D1657 L1658 L1662 | R1635-N1660 PolarHBondContact NH2-O 3.34Å; N1656-N1660 PolarHBondContact O-N 3.31Å; N1656-N1660 PolarHBondContact O-ND2 2.8Å; N1656-N1660 VanDerWaalsContact O-ND2 3.14Å; D1657-N1660 WeakPolarHBondContact O-CB 3.41Å; D1657-N1660 PolarHBondContact O-N 2.93Å; L1658-N1660 PolarHBondContact O-N 2.94Å; N1660-L1662 VanDerWaalsContact C-N 3.28Å; N1660-L1662 PolarHBondContact O-N 2.84Å |
| 1661 | S | 92.8 | Very high | 91.4 | Very high | 40 Ų | 40 | 61.4 Ų | 61.4 | 28% | 0.28 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.9 | -19.6 | -178.5 | 73.3 | 0 | 0 | 0 | 0 | 115.7 | D1657 L1658 N1663 Y1664 L1665 | D1657-S1661 PolarHBondContact O-N 2.78Å; D1657-S1661 VanDerWaalsContact O-N 3.13Å; L1658-S1661 PolarHBondContact O-N 3.48Å; L1658-S1661 VanDerWaalsContact O-N 3.09Å; L1658-S1661 PolarHBondContact O-OG 3.06Å; S1661-N1663 PolarHBondContact O-N 2.85Å; S1661-Y1664 WeakPolarHBondContact O-CD2 3.39Å; S1661-Y1664 PolarHBondContact O-N 3.01Å; S1661-L1665 VanDerWaalsContact OG-CD1 3.28Å; S1661-L1665 WeakPolarHBondContact OG-CD1 3.26Å |
| 1662 | L | 90.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.1 | -22.4 | -177 | -92 | 178.2 | 0 | 0 | 0 | 117.6 | I1621 L1625 R1631 I1634 R1635 L1658 L1659 N1660 Y1664 | I1621-L1662 HydrophobicContact CG2-CD2 3.96Å; L1625-L1662 HydrophobicContact CD1-CD2 3.84Å; R1631-L1662 WeakPolarHBondContact CD-O 3.27Å; R1631-L1662 PolarHBondContact NE-O 3.01Å; I1634-L1662 HydrophobicContact CB-CD1 4.34Å; I1634-L1662 HydrophobicContact CG2-CD1 3.78Å; R1635-L1662 HydrophobicContact CG-CD1 3.85Å; L1658-L1662 PolarHBondContact O-N 3.35Å; L1658-L1662 VanDerWaalsContact O-N 3.15Å; L1659-L1662 HydrophobicContact CB-CD1 4.48Å; L1659-L1662 HydrophobicContact CD2-CD1 3.55Å; L1659-L1662 HydrophobicContact CD2-CG 4.49Å; N1660-L1662 VanDerWaalsContact C-N 3.28Å; N1660-L1662 PolarHBondContact O-N 2.84Å; L1662-Y1664 VanDerWaalsContact C-N 3.31Å |
| 1663 | N | 89.8 | Confident | 91.6 | Very high | 82 Ų | 82 | 59.8 Ų | 59.8 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -22.6 | 178.7 | -70.1 | -6.2 | 0 | 0 | 0 | 113.3 | R1631 R1635 S1661 | R1631-N1663 PolarHBondContact NH1-O 3.12Å; R1635-N1663 VanDerWaalsContact CZ-OD1 3.31Å; R1635-N1663 PolarHBondContact NH1-OD1 2.99Å; R1635-N1663 PolarHBondContact NH2-OD1 2.66Å; S1661-N1663 PolarHBondContact O-N 2.85Å |
| 1664 | Y | 91.6 | Very high | 91.4 | Very high | 190 Ų | 190 | 52.5 Ų | 52.5 | 75% | 0.745 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -20.7 | -175.3 | -54.4 | -73.8 | 0 | 0 | 0 | 112.9 | S1661 L1662 N1666 | S1661-Y1664 WeakPolarHBondContact O-CD2 3.39Å; S1661-Y1664 PolarHBondContact O-N 3.01Å; L1662-Y1664 VanDerWaalsContact C-N 3.31Å; Y1664-N1666 PolarHBondContact O-ND2 2.93Å; Y1664-N1666 VanDerWaalsContact O-ND2 3.08Å |
| 1665 | L | 91 | Very high | 90.9 | Very high | 35 Ų | 35 | 48.5 Ų | 48.5 | 18% | 0.183 | 26% | 0.258 | C | S | . | . | trans | -89.1 | 144.3 | -178 | -56.3 | 172 | 0 | 0 | 0 | 111.8 | L1625 R1631 L1658 S1661 D1669 I1670 | L1625-L1665 HydrophobicContact CD2-CB 3.82Å; R1631-L1665 PolarHBondContact NH2-O 3.22Å; L1658-L1665 HydrophobicContact CD1-CD1 3.92Å; S1661-L1665 VanDerWaalsContact OG-CD1 3.28Å; S1661-L1665 WeakPolarHBondContact OG-CD1 3.26Å; L1665-D1669 HydrophobicContact CB-CB 4.18Å; L1665-D1669 HydrophobicContact CD2-CB 3.88Å; L1665-I1670 HydrophobicContact CD1-CD1 3.94Å; L1665-I1670 HydrophobicContact CD1-CG1 3.84Å | ||
| 1666 | N | 87.1 | Confident | 90.2 | Very high | 87 Ų | 87 | 50 Ų | 50 | 47% | 0.465 | 27% | 0.265 | S | S | . | . | trans | -144.4 | 158.4 | -178.7 | -42.8 | -92.1 | 0 | 0 | 0 | 110.3 | R1631 Y1664 N1668 D1669 | R1631-N1666 PolarHBondContact NH2-OD1 3.18Å; Y1664-N1666 PolarHBondContact O-ND2 2.93Å; Y1664-N1666 VanDerWaalsContact O-ND2 3.08Å; N1666-N1668 PolarHBondContact O-N 2.84Å; N1666-D1669 PolarHBondContact N-OD2 2.83Å; N1666-D1669 PolarHBondContact ND2-OD2 2.99Å; N1666-D1669 VanDerWaalsContact O-CB 3.31Å; N1666-D1669 WeakPolarHBondContact O-CB 3.47Å; N1666-D1669 PolarHBondContact O-N 3.22Å; N1666-D1669 VanDerWaalsContact O-OD2 3.13Å | ||
| 1667 | G | 83.3 | Confident | 89.3 | Confident | 21 Ų | 21 | 48.4 Ų | 48.4 | 22% | 0.216 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | -113.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1626 | M1626-G1667 WeakPolarHBondContact CA-O 3.24Å; M1626-G1667 WeakPolarHBondContact CB-O 3.4Å; M1626-G1667 PolarHBondContact N-O 2.9Å |
| 1668 | N | 88 | Confident | 88.4 | Confident | 40 Ų | 40 | 45.8 Ų | 45.8 | 21% | 0.214 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 26.7 | 179.5 | 64.7 | -30.3 | 0 | 0 | 0 | 114.2 | H1011 Y1544 F1546 N1666 I1670 | H1011-N1668 WeakPolarHBondContact NE2-CA 3.44Å; Y1544-N1668 VanDerWaalsContact CE1-ND2 3.26Å; Y1544-N1668 WeakPolarHBondContact CE1-ND2 3.48Å; Y1544-N1668 WeakPolarHBondContact CE2-ND2 3.33Å; F1546-N1668 HydrophobicContact CD1-CB 4.46Å; F1546-N1668 HydrophobicContact CE1-CB 3.68Å; F1546-N1668 HydrophobicContact CZ-CB 4.16Å; N1666-N1668 PolarHBondContact O-N 2.84Å; N1668-I1670 PolarHBondContact O-N 3.3Å |
| 1669 | D | 91.2 | Very high | 87.2 | Confident | 92 Ų | 92 | 48.6 Ų | 48.6 | 49% | 0.492 | 25% | 0.252 | S | S | . | . | trans | -63.5 | 3 | 175.9 | -69.8 | -23.6 | 0 | 0 | 0 | 114.4 | L1665 N1666 | L1665-D1669 HydrophobicContact CB-CB 4.18Å; L1665-D1669 HydrophobicContact CD2-CB 3.88Å; N1666-D1669 PolarHBondContact N-OD2 2.83Å; N1666-D1669 PolarHBondContact ND2-OD2 2.99Å; N1666-D1669 VanDerWaalsContact O-CB 3.31Å; N1666-D1669 WeakPolarHBondContact O-CB 3.47Å; N1666-D1669 PolarHBondContact O-N 3.22Å; N1666-D1669 VanDerWaalsContact O-OD2 3.13Å | ||
| 1670 | I | 92.8 | Very high | 85.6 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -120.4 | 112.5 | -179.8 | -58.8 | 172.7 | 0 | 0 | 0 | 109.2 | H1011 I1621 A1622 L1625 L1658 L1665 N1668 L1672 | H1011-I1670 PolarHBondContact CE1-O 2.91Å; H1011-I1670 PolarHBondContact NE2-O 3.39Å; I1621-I1670 HydrophobicContact CG2-CD1 3.95Å; A1622-I1670 HydrophobicContact CB-CB 3.86Å; A1622-I1670 HydrophobicContact CB-CG2 3.85Å; L1625-I1670 HydrophobicContact CD2-CD1 3.78Å; L1625-I1670 HydrophobicContact CD2-CG1 4.2Å; L1658-I1670 HydrophobicContact CD1-CD1 3.98Å; L1658-I1670 HydrophobicContact CD1-CG1 4.25Å; L1665-I1670 HydrophobicContact CD1-CD1 3.94Å; L1665-I1670 HydrophobicContact CD1-CG1 3.84Å; N1668-I1670 PolarHBondContact O-N 3.3Å; I1670-L1672 PolarHBondContact O-N 2.91Å |
| 1671 | D | 92.7 | Very high | 83.8 | Confident | 95 Ų | 95 | 48.7 Ų | 48.7 | 51% | 0.508 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 135.3 | 172.7 | -73 | -44.7 | 0 | 0 | 0 | 111.3 | H923 H1618 | H923-D1671 HydrophobicContact CB-CB 4.16Å; H1618-D1671 PolarHBondContact NE2-O 3.02Å |
| 1672 | L | 93.6 | Very high | 81.9 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 131.1 | 179.3 | -57.5 | 179.5 | 0 | 0 | 0 | 110.9 | H923 I924 E1008 H1011 T1012 N1619 A1622 F1623 I1670 | H923-L1672 CarbonylContact C-O 3.29Å; H923-L1672 WeakPolarHBondContact CA-O 3.41Å; I924-L1672 HydrophobicContact CB-CB 4.29Å; I924-L1672 HydrophobicContact CD1-CB 4.08Å; I924-L1672 HydrophobicContact CG1-CB 4.29Å; I924-L1672 PolarHBondContact N-O 2.82Å; E1008-L1672 HydrophobicContact CB-CD1 4.38Å; E1008-L1672 HydrophobicContact CG-CD1 4.16Å; H1011-L1672 HydrophobicContact CB-CD1 4.01Å; T1012-L1672 HydrophobicContact CG2-CD1 3.93Å; N1619-L1672 HydrophobicContact CB-CD2 4.49Å; N1619-L1672 WeakPolarHBondContact OD1-CA 3.4Å; A1622-L1672 HydrophobicContact CB-CD2 3.54Å; F1623-L1672 HydrophobicContact CD1-CD2 4.11Å; F1623-L1672 HydrophobicContact CE1-CD1 3.69Å; F1623-L1672 HydrophobicContact CE1-CD2 3.56Å; F1623-L1672 HydrophobicContact CE1-CG 4.29Å; F1623-L1672 HydrophobicContact CZ-CD1 4.12Å; F1623-L1672 HydrophobicContact CZ-CD2 4.15Å; I1670-L1672 PolarHBondContact O-N 2.91Å |
| 1673 | N | 92.4 | Very high | 80.8 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -72.5 | 142.8 | 173.2 | -65.8 | 0.5 | 0 | 0 | 0 | 110.5 | L922 H923 N1615 H1618 N1619 | L922-N1673 WeakPolarHBondContact O-CA 3.32Å; H923-N1673 PolarHBondContact CD2-OD1 2.89Å; N1615-N1673 HydrophobicContact CB-CB 4.31Å; N1615-N1673 PolarHBondContact OD1-ND2 3.34Å; H1618-N1673 PolarHBondContact CD2-OD1 3.45Å; H1618-N1673 PolarHBondContact NE2-OD1 3.19Å; N1619-N1673 PolarHBondContact ND2-O 2.98Å; N1619-N1673 PolarHBondContact OD1-N 3.3Å |
| 1674 | V | 87.3 | Confident | 80.2 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 134.2 | 172.6 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | I917 L922 I924 R1678 F1679 | I917-V1674 HydrophobicContact CD1-CG1 3.65Å; L922-V1674 PolarHBondContact O-N 2.66Å; I924-V1674 HydrophobicContact CG1-CG2 3.99Å; V1674-R1678 HydrophobicContact CG1-CB 4.23Å; V1674-F1679 HydrophobicContact CB-CE2 3.89Å; V1674-F1679 HydrophobicContact CB-CZ 3.92Å; V1674-F1679 HydrophobicContact CG1-CD2 4.33Å; V1674-F1679 HydrophobicContact CG1-CE2 3.48Å; V1674-F1679 VanDerWaalsContact CG1-CE2 3.48Å; V1674-F1679 HydrophobicContact CG1-CZ 3.64Å |
| 1675 | A | 82.8 | Confident | 80 | Confident | 27 Ų | 27 | 45.4 Ų | 45.4 | 22% | 0.223 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 139.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1677 R1678 | A1675-S1677 VanDerWaalsContact C-N 3.27Å; A1675-S1677 PolarHBondContact O-N 2.78Å; A1675-R1678 PolarHBondContact O-N 2.82Å |
| 1676 | Q | 78.9 | Confident | 79.7 | Confident | 33 Ų | 33 | 46.7 Ų | 46.7 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -62 | -36 | -173.2 | -78 | -172.1 | -8.4 | 0 | 0 | 112.2 | E1577 L1581 E1608 C1611 L1612 R1678 F1679 | E1577-Q1676 PolarHBondContact OE2-N 3.33Å; L1581-Q1676 HydrophobicContact CD1-CB 3.96Å; L1581-Q1676 HydrophobicContact CD2-CB 4.25Å; E1608-Q1676 PolarHBondContact O-NE2 3.05Å; E1608-Q1676 VanDerWaalsContact O-NE2 3.08Å; C1611-Q1676 PolarHBondContact SG-NE2 3.2Å; L1612-Q1676 VanDerWaalsContact N-NE2 3.11Å; Q1676-R1678 PolarHBondContact O-N 3.41Å; Q1676-R1678 VanDerWaalsContact O-N 3.15Å; Q1676-F1679 PolarHBondContact O-N 3.33Å; Q1676-F1679 VanDerWaalsContact O-N 3.15Å |
| 1677 | S | 75.7 | Confident | 79.8 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -47.9 | -40.6 | 176.4 | 53.6 | 0 | 0 | 0 | 0 | 114 | E1577 A1675 F1679 I1680 | E1577-S1677 VanDerWaalsContact CD-OG 3.28Å; E1577-S1677 WeakPolarHBondContact OE1-CB 2.97Å; E1577-S1677 PolarHBondContact OE1-OG 2.96Å; E1577-S1677 WeakPolarHBondContact OE2-CB 3.48Å; E1577-S1677 PolarHBondContact OE2-N 3.33Å; E1577-S1677 PolarHBondContact OE2-OG 3.18Å; A1675-S1677 VanDerWaalsContact C-N 3.27Å; A1675-S1677 PolarHBondContact O-N 2.78Å; S1677-F1679 PolarHBondContact O-N 2.84Å; S1677-F1679 VanDerWaalsContact O-N 3.16Å; S1677-I1680 PolarHBondContact O-N 2.74Å |
| 1678 | R | 75.5 | Confident | 80.1 | Confident | 37 Ų | 37 | 43.9 Ų | 43.9 | 14% | 0.14 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -67 | -17.4 | -174.2 | -57.2 | -164.7 | -171.8 | -173.6 | 7.6 | 114 | N912 L913 I917 E1008 V1674 A1675 Q1676 | N912-R1678 PolarHBondContact O-NH1 3.15Å; L913-R1678 VanDerWaalsContact CD2-CZ 3.42Å; I917-R1678 HydrophobicContact CD1-CB 3.66Å; I917-R1678 HydrophobicContact CD1-CG 4.29Å; E1008-R1678 IonicContact OE1-CZ 3.58Å; E1008-R1678 IonicContact OE1-NH1 2.66Å; E1008-R1678 PolarHBondContact OE1-NH1 2.86Å; E1008-R1678 IonicContact OE1-NH2 3.8Å; E1008-R1678 PolarHBondContact OE1-NH2 3.49Å; E1008-R1678 IonicContact OE2-CZ 2.66Å; E1008-R1678 IonicContact OE2-NH2 2.64Å; E1008-R1678 PolarHBondContact OE2-NH2 3.11Å; V1674-R1678 HydrophobicContact CG1-CB 4.23Å; A1675-R1678 PolarHBondContact O-N 2.82Å; Q1676-R1678 PolarHBondContact O-N 3.41Å; Q1676-R1678 VanDerWaalsContact O-N 3.15Å |
| 1679 | F | 67.8 | Low | 79.9 | Confident | 84 Ų | 84 | 45.7 Ų | 45.7 | 37% | 0.368 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -84.6 | -16.4 | 175.1 | -61.4 | -78.5 | 0 | 0 | 0 | 113.3 | I917 V1674 Q1676 S1677 | I917-F1679 HydrophobicContact CG2-CE1 3.8Å; I917-F1679 HydrophobicContact CG2-CZ 4.22Å; V1674-F1679 HydrophobicContact CB-CE2 3.89Å; V1674-F1679 HydrophobicContact CB-CZ 3.92Å; V1674-F1679 HydrophobicContact CG1-CD2 4.33Å; V1674-F1679 HydrophobicContact CG1-CE2 3.48Å; V1674-F1679 VanDerWaalsContact CG1-CE2 3.48Å; V1674-F1679 HydrophobicContact CG1-CZ 3.64Å; Q1676-F1679 PolarHBondContact O-N 3.33Å; Q1676-F1679 VanDerWaalsContact O-N 3.15Å; S1677-F1679 PolarHBondContact O-N 2.84Å; S1677-F1679 VanDerWaalsContact O-N 3.16Å |
| 1680 | I | 60.9 | Low | 79.5 | Confident | 46 Ų | 46 | 42.4 Ų | 42.4 | 24% | 0.236 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -31.8 | -179.1 | -64.3 | -152.8 | 0 | 0 | 0 | 112.8 | L1581 S1677 Q1682 | L1581-I1680 HydrophobicContact CD2-CD1 3.39Å; L1581-I1680 HydrophobicContact CD2-CG1 3.81Å; S1677-I1680 PolarHBondContact O-N 2.74Å; I1680-Q1682 PolarHBondContact O-N 3.36Å; I1680-Q1682 VanDerWaalsContact O-N 3.07Å |
| 1681 | V | 53.4 | Low | 78.8 | Confident | 64 Ų | 64 | 44.7 Ų | 44.7 | 39% | 0.388 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -63.6 | -20.7 | -169.3 | -178.6 | 0 | 0 | 0 | 0 | 114 | R1683 S1684 | V1681-R1683 PolarHBondContact O-N 3.37Å; V1681-S1684 PolarHBondContact O-N 2.73Å |
| 1682 | Q | 54.2 | Low | 78.1 | Confident | 108 Ų | 108 | 43 Ų | 43 | 51% | 0.505 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -63.1 | -6.1 | -175.4 | -72.3 | -176.3 | -13.6 | 0 | 0 | 116.1 | I917 I1680 | I917-Q1682 PolarHBondContact O-NE2 3.45Å; I917-Q1682 VanDerWaalsContact O-NE2 3.16Å; I1680-Q1682 PolarHBondContact O-N 3.36Å; I1680-Q1682 VanDerWaalsContact O-N 3.07Å |
| 1683 | R | 67.7 | Low | 77.4 | Confident | 82 Ų | 82 | 44.3 Ų | 44.3 | 31% | 0.309 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -129.7 | 37.9 | 177.9 | -61.6 | -172.1 | 173.3 | -149 | -9.2 | 114.4 | V1681 H1685 V1702 Q1763 E1766 | V1681-R1683 PolarHBondContact O-N 3.37Å; R1683-H1685 PolarHBondContact O-CD2 2.92Å; R1683-V1702 HydrophobicContact CB-CB 4.02Å; R1683-V1702 PolarHBondContact O-N 2.85Å; R1683-Q1763 PolarHBondContact NH1-O 2.67Å; R1683-E1766 IonicContact CZ-OE2 2.87Å; R1683-E1766 VanDerWaalsContact CZ-OE2 3.29Å; R1683-E1766 IonicContact NH1-OE2 3.89Å; R1683-E1766 PolarHBondContact NH1-OE2 2.82Å; R1683-E1766 IonicContact NH2-OE2 3.3Å; R1683-E1766 PolarHBondContact NH2-OE2 3.42Å |
| 1684 | S | 77.3 | Confident | 76.5 | Confident | 41 Ų | 41 | 46.8 Ų | 46.8 | 29% | 0.287 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 136 | 172.1 | -164.1 | 0 | 0 | 0 | 0 | 112.8 | V1681 L1700 E1701 | V1681-S1684 PolarHBondContact O-N 2.73Å; S1684-L1700 CarbonylContact C-O 3.44Å; S1684-L1700 WeakPolarHBondContact CA-O 3.45Å; S1684-E1701 WeakPolarHBondContact OG-CG 3.49Å |
| 1685 | H | 85.5 | Confident | 75.8 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 6% | 0.06 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 138.4 | -178.4 | -56.8 | -89.7 | 0 | 0 | 0 | 112.9 | R1683 F1699 L1700 V1760 Q1763 | R1683-H1685 PolarHBondContact O-CD2 2.92Å; H1685-F1699 CarbonylContact O-C 3.45Å; H1685-F1699 WeakPolarHBondContact O-CA 3.43Å; H1685-L1700 PolarHBondContact N-O 2.73Å; H1685-L1700 PolarHBondContact O-N 2.57Å; H1685-V1760 HydrophobicContact CB-CG2 3.83Å; H1685-Q1763 PolarHBondContact NE2-OE1 2.67Å |
| 1686 | E | 86.1 | Confident | 75.6 | Confident | 62 Ų | 62 | 51.8 Ų | 51.8 | 29% | 0.29 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 134.4 | 169.9 | 58.9 | -178.7 | -178.7 | 0 | 0 | 111.8 | L1697 F1699 T1754 | E1686-L1697 HydrophobicContact CB-CD1 4.38Å; E1686-F1699 HydrophobicContact CB-CE1 4.44Å; E1686-T1754 VanDerWaalsContact O-CB 3.25Å; E1686-T1754 WeakPolarHBondContact O-CB 3.45Å; E1686-T1754 PolarHBondContact O-OG1 3.45Å |
| 1687 | A | 88.9 | Confident | 75.8 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 154.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1698 L1700 F1752 Y1753 T1754 | A1687-I1698 HydrophobicContact CB-CG1 4.47Å; A1687-I1698 PolarHBondContact N-O 3.36Å; A1687-I1698 WeakPolarHBondContact O-CG1 3.33Å; A1687-I1698 PolarHBondContact O-N 3.07Å; A1687-I1698 VanDerWaalsContact O-O 3.07Å; A1687-L1700 HydrophobicContact CB-CD1 3.66Å; A1687-L1700 HydrophobicContact CB-CG 3.94Å; A1687-F1752 HydrophobicContact CB-CB 4.4Å; A1687-Y1753 CarbonylContact C-O 3.55Å; A1687-Y1753 WeakPolarHBondContact CA-O 3.23Å; A1687-T1754 HydrophobicContact CB-CG2 4.26Å |
| 1688 | Y | 88.6 | Confident | 76.2 | Confident | 47 Ų | 47 | 51.5 Ų | 51.5 | 18% | 0.184 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 131 | 171.9 | -63.6 | -104.2 | 0 | 0 | 0 | 109 | G1690 E1693 E1696 L1697 F1752 Y1753 | Y1688-G1690 PolarHBondContact O-N 2.64Å; Y1688-G1690 VanDerWaalsContact O-N 3.15Å; Y1688-E1693 HydrophobicContact CE1-CB 4.49Å; Y1688-E1693 HydrophobicContact CE2-CG 4.36Å; Y1688-E1696 CarbonylContact C-O 3.52Å; Y1688-E1696 WeakPolarHBondContact CA-O 3.26Å; Y1688-L1697 HydrophobicContact CD1-CB 4.14Å; Y1688-L1697 HydrophobicContact CD1-CD1 4.25Å; Y1688-L1697 HydrophobicContact CD2-CD1 3.93Å; Y1688-L1697 HydrophobicContact CE1-CB 4.05Å; Y1688-L1697 HydrophobicContact CE1-CD1 4.04Å; Y1688-L1697 HydrophobicContact CE2-CD1 3.71Å; Y1688-L1697 HydrophobicContact CG-CD1 4.21Å; Y1688-F1752 CarbonylContact O-C 3.57Å; Y1688-F1752 WeakPolarHBondContact O-CA 3.5Å; Y1688-Y1753 AromaticContact CD2-CD1 3.98Å; Y1688-Y1753 HydrophobicContact CD2-CD1 3.98Å; Y1688-Y1753 PolarHBondContact N-O 2.9Å; Y1688-Y1753 PolarHBondContact O-N 3.04Å |
| 1689 | R | 84.9 | Confident | 76.8 | Confident | 79 Ų | 79 | 51.9 Ų | 51.9 | 30% | 0.298 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 104.5 | 177 | -164.5 | 177.3 | -164 | 147.6 | 11.1 | 109.7 | G1695 E1696 I1698 E1718 D1750 F1752 | R1689-G1695 WeakPolarHBondContact O-CA 3.32Å; R1689-E1696 PolarHBondContact N-O 2.8Å; R1689-I1698 HydrophobicContact CB-CD1 4.09Å; R1689-E1718 IonicContact CZ-OE2 2.96Å; R1689-E1718 IonicContact NH1-OE2 2.87Å; R1689-E1718 PolarHBondContact NH1-OE2 3.29Å; R1689-E1718 IonicContact NH2-OE2 2.82Å; R1689-E1718 PolarHBondContact NH2-OE2 3.43Å; R1689-D1750 IonicContact CZ-OD1 2.75Å; R1689-D1750 IonicContact NE-OD1 2.64Å; R1689-D1750 IonicContact NH2-OD1 3.39Å; R1689-D1750 PolarHBondContact NH2-OD1 3.03Å; R1689-F1752 HydrophobicContact CG-CE1 4.19Å |
| 1690 | G | 83.3 | Confident | 77.7 | Confident | 22 Ų | 22 | 47.9 Ų | 47.9 | 23% | 0.227 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 145.2 | -172.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1688 L1751 F1752 Y1753 | Y1688-G1690 PolarHBondContact O-N 2.64Å; Y1688-G1690 VanDerWaalsContact O-N 3.15Å; G1690-L1751 PolarHBondContact N-O 3.2Å; G1690-L1751 CarbonylContact O-C 3.57Å; G1690-L1751 VanDerWaalsContact O-C 3.29Å; G1690-F1752 CarbonylContact O-C 3.2Å; G1690-F1752 PolarHBondContact O-N 3.4Å; G1690-Y1753 PolarHBondContact O-N 3.36Å; G1690-Y1753 VanDerWaalsContact O-N 3.13Å |
| 1691 | S | 76.8 | Confident | 78.9 | Confident | 57 Ų | 57 | 46.8 Ų | 46.8 | 40% | 0.399 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -89.9 | -9.5 | 176 | 51.3 | 0 | 0 | 0 | 0 | 114 | I1736 | S1691-I1736 WeakPolarHBondContact O-CD1 3.12Š|
| 1692 | D | 78.2 | Confident | 80.4 | Confident | 58 Ų | 58 | 44.1 Ų | 44.1 | 31% | 0.31 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -146.6 | -176.7 | -176.4 | 81.2 | -27.1 | 0 | 0 | 0 | 112.4 | S1694 | D1692-S1694 PolarHBondContact O-N 3.02Å; D1692-S1694 VanDerWaalsContact OD1-CB 3.27Å; D1692-S1694 WeakPolarHBondContact OD1-CB 3.34Å; D1692-S1694 PolarHBondContact OD1-N 3.06Å; D1692-S1694 VanDerWaalsContact OD1-N 3.13Å; D1692-S1694 PolarHBondContact OD1-OG 3.28Å; D1692-S1694 PolarHBondContact OD2-OG 3.32Å |
| 1693 | E | 78.6 | Confident | 81.6 | Confident | 30 Ų | 30 | 39.4 Ų | 39.4 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 8.7 | -179.4 | -58.7 | -179.6 | 146.4 | 0 | 0 | 113.9 | S796 Y1688 Y1753 R1755 | S796-E1693 WeakPolarHBondContact CB-OE2 3.34Å; S796-E1693 PolarHBondContact OG-OE2 2.89Å; Y1688-E1693 HydrophobicContact CE1-CB 4.49Å; Y1688-E1693 HydrophobicContact CE2-CG 4.36Å; E1693-Y1753 HydrophobicContact CG-CD1 3.63Å; E1693-Y1753 HydrophobicContact CG-CE1 3.23Å; E1693-Y1753 HydrophobicContact CG-CE2 4.38Å; E1693-Y1753 HydrophobicContact CG-CG 4.39Å; E1693-Y1753 WeakPolarHBondContact OE1-CE1 3.43Å; E1693-Y1753 PolarHBondContact OE1-OH 3.22Å; E1693-R1755 IonicContact OE1-CZ 2.75Å; E1693-R1755 IonicContact OE1-NE 2.84Å; E1693-R1755 PolarHBondContact OE1-NE 3.08Å; E1693-R1755 IonicContact OE1-NH2 2.86Å; E1693-R1755 PolarHBondContact OE1-NH2 2.93Å; E1693-R1755 IonicContact OE2-NH2 3.23Å |
| 1694 | S | 74.3 | Confident | 82 | Confident | 77 Ų | 77 | 38.8 Ų | 38.8 | 54% | 0.538 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -15.6 | 176.9 | 77.1 | 0 | 0 | 0 | 0 | 113.9 | D1692 | D1692-S1694 PolarHBondContact O-N 3.02Å; D1692-S1694 VanDerWaalsContact OD1-CB 3.27Å; D1692-S1694 WeakPolarHBondContact OD1-CB 3.34Å; D1692-S1694 PolarHBondContact OD1-N 3.06Å; D1692-S1694 VanDerWaalsContact OD1-N 3.13Å; D1692-S1694 PolarHBondContact OD1-OG 3.28Å; D1692-S1694 PolarHBondContact OD2-OG 3.32Å |
| 1695 | G | 71.7 | Confident | 81.9 | Confident | 25 Ų | 25 | 38.1 Ų | 38.1 | 26% | 0.258 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -72.3 | 179.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R1689 L1697 | R1689-G1695 WeakPolarHBondContact O-CA 3.32Å; G1695-L1697 PolarHBondContact O-N 3.49Å |
| 1696 | E | 78.4 | Confident | 81.8 | Confident | 110 Ų | 110 | 38.8 Ų | 38.8 | 51% | 0.514 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 125.8 | 171 | -173.9 | 178.7 | -170.8 | 0 | 0 | 110 | Y1688 R1689 I1698 | Y1688-E1696 CarbonylContact C-O 3.52Å; Y1688-E1696 WeakPolarHBondContact CA-O 3.26Å; R1689-E1696 PolarHBondContact N-O 2.8Å; E1696-I1698 HydrophobicContact CG-CG2 4.21Å |
| 1697 | L | 83.5 | Confident | 81.9 | Confident | 38 Ų | 38 | 36 Ų | 36 | 20% | 0.199 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 124.8 | 174.1 | -177.3 | 67.3 | 0 | 0 | 0 | 110.1 | E1686 Y1688 G1695 L1712 | E1686-L1697 HydrophobicContact CB-CD1 4.38Å; Y1688-L1697 HydrophobicContact CD1-CB 4.14Å; Y1688-L1697 HydrophobicContact CD1-CD1 4.25Å; Y1688-L1697 HydrophobicContact CD2-CD1 3.93Å; Y1688-L1697 HydrophobicContact CE1-CB 4.05Å; Y1688-L1697 HydrophobicContact CE1-CD1 4.04Å; Y1688-L1697 HydrophobicContact CE2-CD1 3.71Å; Y1688-L1697 HydrophobicContact CG-CD1 4.21Å; G1695-L1697 PolarHBondContact O-N 3.49Å; L1697-L1712 HydrophobicContact CB-CD2 4.11Å; L1697-L1712 HydrophobicContact CD2-CD2 3.84Å; L1697-L1712 HydrophobicContact CG-CD2 3.78Å; L1697-L1712 WeakPolarHBondContact O-CD2 3.12Å; L1697-L1712 WeakPolarHBondContact O-CG 3.42Å |
| 1698 | I | 85.6 | Confident | 81.7 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 165.9 | -173.5 | 51.7 | 167.7 | 0 | 0 | 0 | 110.3 | A1687 R1689 E1696 L1700 I1709 R1710 L1717 F1752 | A1687-I1698 HydrophobicContact CB-CG1 4.47Å; A1687-I1698 PolarHBondContact N-O 3.36Å; A1687-I1698 WeakPolarHBondContact O-CG1 3.33Å; A1687-I1698 PolarHBondContact O-N 3.07Å; A1687-I1698 VanDerWaalsContact O-O 3.07Å; R1689-I1698 HydrophobicContact CB-CD1 4.09Å; E1696-I1698 HydrophobicContact CG-CG2 4.21Å; I1698-L1700 HydrophobicContact CD1-CD2 4.13Å; I1698-I1709 HydrophobicContact CB-CG2 4.33Å; I1698-I1709 HydrophobicContact CD1-CG2 3.73Å; I1698-R1710 WeakPolarHBondContact CA-O 3.48Å; I1698-R1710 WeakPolarHBondContact CB-O 3.5Å; I1698-L1717 HydrophobicContact CG2-CD1 3.77Å; I1698-F1752 HydrophobicContact CD1-CD1 3.77Å; I1698-F1752 HydrophobicContact CD1-CE1 3.62Å |
| 1699 | F | 86.4 | Confident | 81.6 | Confident | 44 Ų | 44 | 33.7 Ų | 33.7 | 19% | 0.193 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 132.2 | 169.6 | -64.7 | -75.9 | 0 | 0 | 0 | 110.2 | V832 H1685 E1686 I1709 R1710 L1712 | V832-F1699 HydrophobicContact CG2-CE2 4.27Å; V832-F1699 HydrophobicContact CG2-CZ 4.08Å; H1685-F1699 CarbonylContact O-C 3.45Å; H1685-F1699 WeakPolarHBondContact O-CA 3.43Å; E1686-F1699 HydrophobicContact CB-CE1 4.44Å; F1699-I1709 WeakPolarHBondContact O-CA 3.13Å; F1699-R1710 HydrophobicContact CB-CB 4.39Å; F1699-R1710 PolarHBondContact N-O 2.64Å; F1699-R1710 PolarHBondContact O-N 3.49Å; F1699-L1712 HydrophobicContact CE2-CD2 4.14Å |
| 1700 | L | 87.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 112.1 | 173 | -63.6 | -178.8 | 0 | 0 | 0 | 108.9 | S1684 H1685 A1687 I1698 L1707 I1709 L1737 F1752 | S1684-L1700 CarbonylContact C-O 3.44Å; S1684-L1700 WeakPolarHBondContact CA-O 3.45Å; H1685-L1700 PolarHBondContact N-O 2.73Å; H1685-L1700 PolarHBondContact O-N 2.57Å; A1687-L1700 HydrophobicContact CB-CD1 3.66Å; A1687-L1700 HydrophobicContact CB-CG 3.94Å; I1698-L1700 HydrophobicContact CD1-CD2 4.13Å; L1700-L1707 HydrophobicContact CB-CD1 4.38Å; L1700-L1707 HydrophobicContact CD2-CD2 4.25Å; L1700-I1709 HydrophobicContact CD2-CB 4.49Å; L1700-I1709 HydrophobicContact CD2-CD1 4.25Å; L1700-I1709 HydrophobicContact CD2-CG1 3.86Å; L1700-I1709 HydrophobicContact CD2-CG2 4.27Å; L1700-L1737 HydrophobicContact CD1-CD2 4.32Å; L1700-F1752 HydrophobicContact CD1-CB 4.2Å; L1700-F1752 HydrophobicContact CD1-CD1 4.23Å; L1700-F1752 HydrophobicContact CD1-CG 4.08Å; L1700-F1752 HydrophobicContact CD2-CD1 4.26Å; L1700-F1752 HydrophobicContact CD2-CE1 4.11Å; L1700-F1752 HydrophobicContact CD2-CZ 4.49Å |
| 1701 | E | 84.8 | Confident | 81.1 | Confident | 24 Ų | 24 | 31 Ų | 31 | 11% | 0.112 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 113.4 | -179.8 | -77.3 | 168.7 | -176.3 | 0 | 0 | 109.9 | S1684 C1703 L1708 R1710 | S1684-E1701 WeakPolarHBondContact OG-CG 3.49Å; E1701-C1703 PolarHBondContact O-N 2.74Å; E1701-L1708 HydrophobicContact CB-CB 3.73Å; E1701-L1708 PolarHBondContact N-O 3.17Å; E1701-L1708 PolarHBondContact O-N 3.36Å; E1701-R1710 VanDerWaalsContact OE1-CD 3.27Å; E1701-R1710 WeakPolarHBondContact OE1-CD 3.23Å; E1701-R1710 IonicContact OE1-NE 2.76Å; E1701-R1710 PolarHBondContact OE1-NE 3.38Å; E1701-R1710 WeakPolarHBondContact OE2-CD 3.34Å; E1701-R1710 IonicContact OE2-CZ 2.85Å; E1701-R1710 IonicContact OE2-NE 3.83Å; E1701-R1710 PolarHBondContact OE2-NE 2.91Å; E1701-R1710 IonicContact OE2-NH2 3.3Å |
| 1702 | V | 85.4 | Confident | 80.6 | Confident | 7 Ų | 7 | 31.3 Ų | 31.3 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 94.4 | -177.3 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | R1683 L1707 Y1722 V1760 Q1763 I1764 | R1683-V1702 HydrophobicContact CB-CB 4.02Å; R1683-V1702 PolarHBondContact O-N 2.85Å; V1702-L1707 HydrophobicContact CG2-CD1 3.93Å; V1702-Y1722 WeakPolarHBondContact CG1-OH 3.45Å; V1702-V1760 HydrophobicContact CG2-CG1 4.44Å; V1702-Q1763 HydrophobicContact CG1-CB 4.1Å; V1702-Q1763 HydrophobicContact CG2-CB 4.44Å; V1702-I1764 HydrophobicContact CB-CG1 4.49Å; V1702-I1764 HydrophobicContact CG1-CB 4.49Å; V1702-I1764 HydrophobicContact CG1-CG1 3.87Å; V1702-I1764 HydrophobicContact CG2-CD1 4.49Å; V1702-I1764 HydrophobicContact CG2-CG1 3.8Å |
| 1703 | C | 80.4 | Confident | 79.6 | Confident | 10 Ų | 10 | 33.1 Ų | 33.1 | 7% | 0.068 | 19% | 0.192 | C | C | . | . | trans | -85.2 | -175.8 | 174.6 | -50.6 | 0 | 0 | 0 | 0 | 111 | E1701 Y1706 Y1722 S1767 | E1701-C1703 PolarHBondContact O-N 2.74Å; C1703-Y1706 HydrophobicContact CB-CD2 3.98Å; C1703-Y1706 HydrophobicContact CB-CE2 3.75Å; C1703-Y1706 VanDerWaalsContact CB-O 3.26Å; C1703-Y1706 WeakPolarHBondContact CB-O 3.23Å; C1703-Y1706 PolarHBondContact N-O 2.99Å; C1703-Y1706 VanDerWaalsContact N-O 3.16Å; C1703-Y1706 VanDerWaalsContact SG-CE2 3.51Å; C1703-Y1722 PolarHBondContact O-OH 3.42Å; C1703-S1767 WeakPolarHBondContact O-CB 3.46Å; C1703-S1767 PolarHBondContact O-OG 2.98Å | ||
| 1704 | S | 76.3 | Confident | 78.8 | Confident | 68 Ų | 68 | 33.4 Ų | 33.4 | 48% | 0.476 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -70.5 | -45.4 | 176.5 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | Y1722 I1771 | S1704-Y1722 WeakPolarHBondContact O-CD2 3.32Å; S1704-Y1722 WeakPolarHBondContact O-CE2 3.49Å; S1704-I1771 WeakPolarHBondContact O-CD1 3.25Å |
| 1705 | D | 75.5 | Confident | 78.3 | Confident | 27 Ų | 27 | 34.4 Ų | 34.4 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -107.1 | -13.7 | -165.1 | -73.1 | 47 | 0 | 0 | 0 | 113.8 | K1601 W1721 Y1722 | K1601-D1705 WeakPolarHBondContact CE-OD2 3.41Å; K1601-D1705 IonicContact NZ-OD1 2.82Å; K1601-D1705 IonicContact NZ-OD2 2.7Å; K1601-D1705 PolarHBondContact NZ-OD2 2.85Å; D1705-W1721 HydrophobicContact CB-CZ3 4.4Å; D1705-Y1722 WeakPolarHBondContact O-CD2 3.34Å; D1705-Y1722 PolarHBondContact O-N 2.76Å |
| 1706 | Y | 83.1 | Confident | 78.3 | Confident | 28 Ų | 28 | 33.4 Ų | 33.4 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 161.3 | -174.3 | 49.6 | -92.9 | 0 | 0 | 0 | 111.8 | L1581 C1703 L1708 R1719 L1720 W1721 Y1722 | L1581-Y1706 PolarHBondContact O-OH 2.74Å; L1581-Y1706 VanDerWaalsContact O-OH 3.08Å; C1703-Y1706 HydrophobicContact CB-CD2 3.98Å; C1703-Y1706 HydrophobicContact CB-CE2 3.75Å; C1703-Y1706 VanDerWaalsContact CB-O 3.26Å; C1703-Y1706 WeakPolarHBondContact CB-O 3.23Å; C1703-Y1706 PolarHBondContact N-O 2.99Å; C1703-Y1706 VanDerWaalsContact N-O 3.16Å; C1703-Y1706 VanDerWaalsContact SG-CE2 3.51Å; Y1706-L1708 HydrophobicContact CD2-CG 3.96Å; Y1706-L1708 HydrophobicContact CE2-CD1 3.82Å; Y1706-L1708 HydrophobicContact CE2-CG 3.74Å; Y1706-R1719 HydrophobicContact CD2-CG 4.04Å; Y1706-R1719 HydrophobicContact CG-CG 3.93Å; Y1706-L1720 CarbonylContact C-O 3.55Å; Y1706-L1720 WeakPolarHBondContact CA-O 3.37Å; Y1706-L1720 WeakPolarHBondContact CB-O 3.47Å; Y1706-W1721 AromaticContact CD1-CE3 3.69Å; Y1706-W1721 HydrophobicContact CD1-CE3 3.69Å; Y1706-W1721 HydrophobicContact CD1-CH2 4.22Å; Y1706-W1721 AromaticContact CD1-CZ3 3.49Å; Y1706-W1721 HydrophobicContact CD1-CZ3 3.49Å; Y1706-W1721 VanDerWaalsContact CD1-CZ3 3.49Å; Y1706-W1721 HydrophobicContact CE1-CZ3 4.13Å; Y1706-W1721 HydrophobicContact CG-CE3 4.21Å; Y1706-W1721 HydrophobicContact CG-CZ3 4.4Å; Y1706-Y1722 VanDerWaalsContact C-CZ 3.42Å; Y1706-Y1722 VanDerWaalsContact N-CE2 3.27Å; Y1706-Y1722 PolarHBondContact O-OH 2.92Å |
| 1707 | L | 86.5 | Confident | 78.4 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 126.4 | 163.8 | -171.1 | 71.8 | 0 | 0 | 0 | 108.9 | L1700 V1702 L1720 Y1722 I1739 I1764 | L1700-L1707 HydrophobicContact CB-CD1 4.38Å; L1700-L1707 HydrophobicContact CD2-CD2 4.25Å; V1702-L1707 HydrophobicContact CG2-CD1 3.93Å; L1707-L1720 HydrophobicContact CB-CB 4.37Å; L1707-L1720 PolarHBondContact N-O 3.46Å; L1707-L1720 PolarHBondContact O-N 2.96Å; L1707-Y1722 HydrophobicContact CB-CE1 4.13Å; L1707-I1739 HydrophobicContact CD2-CD1 3.5Å; L1707-I1764 HydrophobicContact CD1-CD1 3.99Å; L1707-I1764 HydrophobicContact CD1-CG1 4.23Å; L1707-I1764 HydrophobicContact CD2-CD1 4.4Å |
| 1708 | L | 85.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 134.5 | 170.7 | -101.2 | 172.7 | 0 | 0 | 0 | 109.8 | E1701 Y1706 I1716 | E1701-L1708 HydrophobicContact CB-CB 3.73Å; E1701-L1708 PolarHBondContact N-O 3.17Å; E1701-L1708 PolarHBondContact O-N 3.36Å; Y1706-L1708 HydrophobicContact CD2-CG 3.96Å; Y1706-L1708 HydrophobicContact CE2-CD1 3.82Å; Y1706-L1708 HydrophobicContact CE2-CG 3.74Å; L1708-I1716 HydrophobicContact CD2-CB 4.31Å; L1708-I1716 HydrophobicContact CD2-CD1 3.75Å; L1708-I1716 HydrophobicContact CD2-CG1 3.85Å; L1708-I1716 HydrophobicContact CD2-CG2 3.5Å |
| 1709 | I | 87.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 115.7 | 175.1 | -50.8 | -174.4 | 0 | 0 | 0 | 108.4 | I1698 F1699 L1700 L1717 E1718 F1752 | I1698-I1709 HydrophobicContact CB-CG2 4.33Å; I1698-I1709 HydrophobicContact CD1-CG2 3.73Å; F1699-I1709 WeakPolarHBondContact O-CA 3.13Å; L1700-I1709 HydrophobicContact CD2-CB 4.49Å; L1700-I1709 HydrophobicContact CD2-CD1 4.25Å; L1700-I1709 HydrophobicContact CD2-CG1 3.86Å; L1700-I1709 HydrophobicContact CD2-CG2 4.27Å; I1709-L1717 HydrophobicContact CG2-CB 4.46Å; I1709-L1717 HydrophobicContact CG2-CD1 4.42Å; I1709-L1717 PolarHBondContact O-N 2.89Å; I1709-E1718 HydrophobicContact CB-CB 4.18Å; I1709-E1718 HydrophobicContact CD1-CB 4.29Å; I1709-E1718 HydrophobicContact CG1-CB 4.46Å; I1709-E1718 PolarHBondContact N-O 3.39Å; I1709-E1718 PolarHBondContact O-N 3.13Å; I1709-F1752 HydrophobicContact CD1-CE1 4.24Å; I1709-F1752 HydrophobicContact CD1-CZ 3.9Å |
| 1710 | R | 81 | Confident | 78.3 | Confident | 17 Ų | 17 | 28.9 Ų | 28.9 | 6% | 0.064 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 151.4 | 177.7 | -64.6 | -175.2 | -174.5 | -90.7 | -7.3 | 111.7 | D1579 I1580 I1698 F1699 E1701 G1714 R1715 I1716 | D1579-R1710 PolarHBondContact O-NH1 2.86Å; D1579-R1710 PolarHBondContact O-NH2 3.06Å; I1580-R1710 PolarHBondContact O-NH2 2.51Å; I1698-R1710 WeakPolarHBondContact CA-O 3.48Å; I1698-R1710 WeakPolarHBondContact CB-O 3.5Å; F1699-R1710 HydrophobicContact CB-CB 4.39Å; F1699-R1710 PolarHBondContact N-O 2.64Å; F1699-R1710 PolarHBondContact O-N 3.49Å; E1701-R1710 VanDerWaalsContact OE1-CD 3.27Å; E1701-R1710 WeakPolarHBondContact OE1-CD 3.23Å; E1701-R1710 IonicContact OE1-NE 2.76Å; E1701-R1710 PolarHBondContact OE1-NE 3.38Å; E1701-R1710 WeakPolarHBondContact OE2-CD 3.34Å; E1701-R1710 IonicContact OE2-CZ 2.85Å; E1701-R1710 IonicContact OE2-NE 3.83Å; E1701-R1710 PolarHBondContact OE2-NE 2.91Å; E1701-R1710 IonicContact OE2-NH2 3.3Å; R1710-G1714 WeakPolarHBondContact CD-O 3.4Å; R1710-G1714 PolarHBondContact NH1-O 2.9Å; R1710-R1715 WeakPolarHBondContact CA-O 3.44Å; R1710-I1716 HydrophobicContact CG-CG1 4.26Å; R1710-I1716 VanDerWaalsContact NH1-CG1 3.3Å |
| 1711 | N | 75.9 | Confident | 78.1 | Confident | 29 Ų | 29 | 29.9 Ų | 29.9 | 16% | 0.155 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 178 | 170.3 | 77.6 | 2.3 | 0 | 0 | 0 | 112 | S1713 G1714 R1715 L1717 | N1711-S1713 VanDerWaalsContact CG-OG 3.28Å; N1711-S1713 PolarHBondContact ND2-OG 3.32Å; N1711-S1713 PolarHBondContact O-N 3.15Å; N1711-S1713 WeakPolarHBondContact OD1-CA 3.44Å; N1711-S1713 PolarHBondContact OD1-N 3.27Å; N1711-S1713 PolarHBondContact OD1-OG 3.38Å; N1711-G1714 PolarHBondContact O-N 2.98Å; N1711-G1714 PolarHBondContact OD1-N 3.17Å; N1711-R1715 PolarHBondContact N-O 3.39Å; N1711-R1715 PolarHBondContact OD1-N 2.89Å; N1711-L1717 HydrophobicContact CB-CD1 3.92Å; N1711-L1717 HydrophobicContact CB-CD2 4.02Å; N1711-L1717 HydrophobicContact CB-CG 3.93Å |
| 1712 | L | 66.2 | Low | 78 | Confident | 62 Ų | 62 | 29 Ų | 29 | 33% | 0.325 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -9.1 | 178.7 | -57 | -178.2 | 0 | 0 | 0 | 115.8 | V832 F836 L1697 F1699 | V832-L1712 HydrophobicContact CG1-CB 4.31Å; V832-L1712 HydrophobicContact CG1-CD2 4.36Å; F836-L1712 HydrophobicContact CE2-CD1 3.98Å; F836-L1712 HydrophobicContact CZ-CD1 3.88Å; L1697-L1712 HydrophobicContact CB-CD2 4.11Å; L1697-L1712 HydrophobicContact CD2-CD2 3.84Å; L1697-L1712 HydrophobicContact CG-CD2 3.78Å; L1697-L1712 WeakPolarHBondContact O-CD2 3.12Å; L1697-L1712 WeakPolarHBondContact O-CG 3.42Å; F1699-L1712 HydrophobicContact CE2-CD2 4.14Å |
| 1713 | S | 58.1 | Low | 77.5 | Confident | 96 Ų | 96 | 33.4 Ų | 33.4 | 67% | 0.671 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 7.2 | 174.1 | 58.3 | 0 | 0 | 0 | 0 | 113.4 | N1711 R1715 | N1711-S1713 VanDerWaalsContact CG-OG 3.28Å; N1711-S1713 PolarHBondContact ND2-OG 3.32Å; N1711-S1713 PolarHBondContact O-N 3.15Å; N1711-S1713 WeakPolarHBondContact OD1-CA 3.44Å; N1711-S1713 PolarHBondContact OD1-N 3.27Å; N1711-S1713 PolarHBondContact OD1-OG 3.38Å; S1713-R1715 PolarHBondContact O-N 2.76Å |
| 1714 | G | 61.4 | Low | 77.3 | Confident | 36 Ų | 36 | 36.1 Ų | 36.1 | 37% | 0.371 | 20% | 0.198 | S | C | . | . | S | Bend | trans | 76.3 | -1.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1710 N1711 | R1710-G1714 WeakPolarHBondContact CD-O 3.4Å; R1710-G1714 PolarHBondContact NH1-O 2.9Å; N1711-G1714 PolarHBondContact O-N 2.98Å; N1711-G1714 PolarHBondContact OD1-N 3.17Å |
| 1715 | R | 62.8 | Low | 77.3 | Confident | 99 Ų | 99 | 33.1 Ų | 33.1 | 37% | 0.374 | 18% | 0.176 | S | C | . | . | trans | -71.5 | 132.8 | 175.7 | -179.7 | 175.8 | 174.6 | -174.6 | -5.7 | 109.9 | D966 R1710 N1711 S1713 L1717 | D966-R1715 IonicContact OD1-CZ 2.85Å; D966-R1715 IonicContact OD1-NE 3.99Å; D966-R1715 IonicContact OD1-NH2 3.37Å; D966-R1715 PolarHBondContact OD1-NH2 3.46Å; D966-R1715 IonicContact OD2-CZ 3.58Å; D966-R1715 IonicContact OD2-NE 2.66Å; D966-R1715 PolarHBondContact OD2-NE 3.19Å; D966-R1715 IonicContact OD2-NH2 2.69Å; D966-R1715 PolarHBondContact OD2-NH2 2.9Å; R1710-R1715 WeakPolarHBondContact CA-O 3.44Å; N1711-R1715 PolarHBondContact N-O 3.39Å; N1711-R1715 PolarHBondContact OD1-N 2.89Å; S1713-R1715 PolarHBondContact O-N 2.76Å; R1715-L1717 PolarHBondContact O-N 2.77Å | ||
| 1716 | I | 73.3 | Confident | 77 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 119.9 | 172.7 | -55.6 | 171.4 | 0 | 0 | 0 | 108.8 | D1579 G1582 Y1585 L1708 R1710 | D1579-I1716 WeakPolarHBondContact O-CD1 3.47Å; G1582-I1716 VanDerWaalsContact CA-CD1 3.46Å; Y1585-I1716 HydrophobicContact CD1-CG2 4.1Å; Y1585-I1716 HydrophobicContact CD2-CB 3.58Å; Y1585-I1716 HydrophobicContact CD2-CD1 4.49Å; Y1585-I1716 HydrophobicContact CD2-CG2 3.39Å; Y1585-I1716 HydrophobicContact CE1-CG2 4.33Å; Y1585-I1716 HydrophobicContact CE2-CB 4.06Å; Y1585-I1716 HydrophobicContact CE2-CG2 3.63Å; Y1585-I1716 WeakPolarHBondContact CE2-O 3.32Å; Y1585-I1716 HydrophobicContact CG-CB 4.12Å; Y1585-I1716 HydrophobicContact CG-CD1 4.32Å; Y1585-I1716 HydrophobicContact CG-CG2 3.65Å; L1708-I1716 HydrophobicContact CD2-CB 4.31Å; L1708-I1716 HydrophobicContact CD2-CD1 3.75Å; L1708-I1716 HydrophobicContact CD2-CG1 3.85Å; L1708-I1716 HydrophobicContact CD2-CG2 3.5Å; R1710-I1716 HydrophobicContact CG-CG1 4.26Å; R1710-I1716 VanDerWaalsContact NH1-CG1 3.3Å |
| 1717 | L | 80.4 | Confident | 76.5 | Confident | 55 Ų | 55 | 32 Ų | 32 | 29% | 0.288 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -46.3 | 168.6 | -65.9 | 177.2 | 0 | 0 | 0 | 109.9 | Y1585 I1698 I1709 N1711 R1715 | Y1585-L1717 PolarHBondContact OH-O 3.46Å; I1698-L1717 HydrophobicContact CG2-CD1 3.77Å; I1709-L1717 HydrophobicContact CG2-CB 4.46Å; I1709-L1717 HydrophobicContact CG2-CD1 4.42Å; I1709-L1717 PolarHBondContact O-N 2.89Å; N1711-L1717 HydrophobicContact CB-CD1 3.92Å; N1711-L1717 HydrophobicContact CB-CD2 4.02Å; N1711-L1717 HydrophobicContact CB-CG 3.93Å; R1715-L1717 PolarHBondContact O-N 2.77Å |
| 1718 | E | 83.4 | Confident | 76.1 | Confident | 30 Ų | 30 | 32 Ų | 32 | 14% | 0.14 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 142.1 | -166.6 | -170.6 | 158.1 | -154.6 | 0 | 0 | 111 | R1689 I1709 R1741 | R1689-E1718 IonicContact CZ-OE2 2.96Å; R1689-E1718 IonicContact NH1-OE2 2.87Å; R1689-E1718 PolarHBondContact NH1-OE2 3.29Å; R1689-E1718 IonicContact NH2-OE2 2.82Å; R1689-E1718 PolarHBondContact NH2-OE2 3.43Å; I1709-E1718 HydrophobicContact CB-CB 4.18Å; I1709-E1718 HydrophobicContact CD1-CB 4.29Å; I1709-E1718 HydrophobicContact CG1-CB 4.46Å; I1709-E1718 PolarHBondContact N-O 3.39Å; I1709-E1718 PolarHBondContact O-N 3.13Å; E1718-R1741 VanDerWaalsContact CD-NH2 3.35Å; E1718-R1741 IonicContact OE1-CZ 3.68Å; E1718-R1741 IonicContact OE1-NH1 2.66Å; E1718-R1741 PolarHBondContact OE1-NH1 2.04Å; E1718-R1741 IonicContact OE1-NH2 2.75Å; E1718-R1741 PolarHBondContact OE1-NH2 3.21Å; E1718-R1741 IonicContact OE2-NH2 3.75Å; E1718-R1741 PolarHBondContact OE2-NH2 2.79Å |
| 1719 | R | 84.7 | Confident | 75.7 | Confident | 12 Ų | 12 | 32.9 Ų | 32.9 | 5% | 0.045 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.9 | 161.6 | 171.5 | 177.9 | -70.6 | 107 | 10.1 | 107.3 | G1582 Y1585 Y1706 W1721 | G1582-R1719 PolarHBondContact O-NH1 2.94Å; G1582-R1719 PolarHBondContact O-NH2 2.69Å; Y1585-R1719 HydrophobicContact CD1-CB 4.22Å; Y1585-R1719 HydrophobicContact CE1-CB 4.32Å; Y1585-R1719 PolarHBondContact O-NH1 2.95Å; Y1585-R1719 VanDerWaalsContact O-NH1 3.14Å; Y1706-R1719 HydrophobicContact CD2-CG 4.04Å; Y1706-R1719 HydrophobicContact CG-CG 3.93Å; R1719-W1721 VanDerWaalsContact CD-CZ2 3.45Å; R1719-W1721 HydrophobicContact CG-CD2 4.31Å; R1719-W1721 HydrophobicContact CG-CG 4.44Å |
| 1720 | L | 84.8 | Confident | 75.3 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 108 | 177.2 | -161 | 172.2 | 0 | 0 | 0 | 107.6 | Y1706 L1707 V1725 I1739 R1741 | Y1706-L1720 CarbonylContact C-O 3.55Å; Y1706-L1720 WeakPolarHBondContact CA-O 3.37Å; Y1706-L1720 WeakPolarHBondContact CB-O 3.47Å; L1707-L1720 HydrophobicContact CB-CB 4.37Å; L1707-L1720 PolarHBondContact N-O 3.46Å; L1707-L1720 PolarHBondContact O-N 2.96Å; L1720-V1725 HydrophobicContact CD2-CG2 3.54Å; L1720-I1739 HydrophobicContact CD1-CG2 4.22Å; L1720-R1741 HydrophobicContact CD2-CB 4.48Å |
| 1721 | W | 83.1 | Confident | 74.9 | Confident | 21 Ų | 21 | 35.1 Ų | 35.1 | 8% | 0.08 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 146.7 | -176.8 | -59.5 | 95.2 | 0 | 0 | 0 | 111.7 | L1590 K1593 D1705 Y1706 R1719 D1723 Q1724 | L1590-W1721 HydrophobicContact CD1-CH2 3.87Å; L1590-W1721 HydrophobicContact CD1-CZ2 3.92Å; K1593-W1721 HydrophobicContact CD-CD2 3.89Å; K1593-W1721 HydrophobicContact CD-CE3 3.9Å; K1593-W1721 HydrophobicContact CD-CH2 3.83Å; K1593-W1721 HydrophobicContact CD-CZ2 3.83Å; K1593-W1721 HydrophobicContact CD-CZ3 3.86Å; D1705-W1721 HydrophobicContact CB-CZ3 4.4Å; Y1706-W1721 AromaticContact CD1-CE3 3.69Å; Y1706-W1721 HydrophobicContact CD1-CE3 3.69Å; Y1706-W1721 HydrophobicContact CD1-CH2 4.22Å; Y1706-W1721 AromaticContact CD1-CZ3 3.49Å; Y1706-W1721 HydrophobicContact CD1-CZ3 3.49Å; Y1706-W1721 VanDerWaalsContact CD1-CZ3 3.49Å; Y1706-W1721 HydrophobicContact CE1-CZ3 4.13Å; Y1706-W1721 HydrophobicContact CG-CE3 4.21Å; Y1706-W1721 HydrophobicContact CG-CZ3 4.4Å; R1719-W1721 VanDerWaalsContact CD-CZ2 3.45Å; R1719-W1721 HydrophobicContact CG-CD2 4.31Å; R1719-W1721 HydrophobicContact CG-CG 4.44Å; W1721-D1723 VanDerWaalsContact C-N 3.32Å; W1721-D1723 WeakPolarHBondContact CB-OD1 3.45Å; W1721-D1723 PolarHBondContact O-N 3.12Å; W1721-Q1724 HydrophobicContact CB-CG 4.29Å; W1721-Q1724 WeakPolarHBondContact O-CB 3.37Å; W1721-Q1724 PolarHBondContact O-N 3.15Å |
| 1722 | Y | 83.3 | Confident | 74.7 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -71.3 | -23.9 | -176.9 | -65 | -45.5 | 0 | 0 | 0 | 114.3 | V1702 C1703 S1704 D1705 Y1706 L1707 Q1724 V1725 I1764 M1768 I1771 | V1702-Y1722 WeakPolarHBondContact CG1-OH 3.45Å; C1703-Y1722 PolarHBondContact O-OH 3.42Å; S1704-Y1722 WeakPolarHBondContact O-CD2 3.32Å; S1704-Y1722 WeakPolarHBondContact O-CE2 3.49Å; D1705-Y1722 WeakPolarHBondContact O-CD2 3.34Å; D1705-Y1722 PolarHBondContact O-N 2.76Å; Y1706-Y1722 VanDerWaalsContact C-CZ 3.42Å; Y1706-Y1722 VanDerWaalsContact N-CE2 3.27Å; Y1706-Y1722 PolarHBondContact O-OH 2.92Å; L1707-Y1722 HydrophobicContact CB-CE1 4.13Å; Y1722-Q1724 PolarHBondContact O-N 2.95Å; Y1722-V1725 HydrophobicContact CD1-CG2 4.29Å; Y1722-V1725 PolarHBondContact O-N 2.75Å; Y1722-V1725 VanDerWaalsContact O-N 3.13Å; Y1722-I1764 HydrophobicContact CD1-CG2 4.33Å; Y1722-I1764 HydrophobicContact CE1-CG2 3.67Å; Y1722-M1768 HydrophobicContact CD1-CG 3.69Å; Y1722-M1768 HydrophobicContact CD1-SD 4.03Å; Y1722-M1768 HydrophobicContact CD2-CG 4.19Å; Y1722-M1768 HydrophobicContact CE1-CG 4.27Å; Y1722-M1768 HydrophobicContact CG-CG 3.67Å; Y1722-M1768 HydrophobicContact CG-SD 4.49Å; Y1722-I1771 HydrophobicContact CD2-CD1 3.64Å; Y1722-I1771 HydrophobicContact CG-CD1 4.22Å |
| 1723 | D | 73.6 | Confident | 75 | Confident | 101 Ų | 101 | 37.6 Ų | 37.6 | 54% | 0.54 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -69.7 | -11.5 | 170 | 56.2 | -9 | 0 | 0 | 0 | 113.5 | K1593 W1721 | K1593-D1723 WeakPolarHBondContact CE-OD2 3.45Å; K1593-D1723 IonicContact NZ-OD1 2.77Å; K1593-D1723 PolarHBondContact NZ-OD1 2.8Å; K1593-D1723 IonicContact NZ-OD2 3.62Å; K1593-D1723 PolarHBondContact NZ-OD2 3.28Å; W1721-D1723 VanDerWaalsContact C-N 3.32Å; W1721-D1723 WeakPolarHBondContact CB-OD1 3.45Å; W1721-D1723 PolarHBondContact O-N 3.12Å |
| 1724 | Q | 77.6 | Confident | 75.8 | Confident | 67 Ų | 67 | 34.2 Ų | 34.2 | 31% | 0.313 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -93.5 | -10.4 | 171 | -61.5 | 174.6 | -33.5 | 0 | 0 | 112.7 | W1721 Y1722 I1726 R1741 Q1742 | W1721-Q1724 HydrophobicContact CB-CG 4.29Å; W1721-Q1724 WeakPolarHBondContact O-CB 3.37Å; W1721-Q1724 PolarHBondContact O-N 3.15Å; Y1722-Q1724 PolarHBondContact O-N 2.95Å; Q1724-I1726 PolarHBondContact O-N 3.46Å; Q1724-R1741 CarbonylContact O-C 3.15Å; Q1724-R1741 WeakPolarHBondContact O-CA 3.31Å; Q1724-R1741 WeakPolarHBondContact O-CB 3.41Å; Q1724-Q1742 PolarHBondContact O-N 2.86Å |
| 1725 | V | 76.7 | Confident | 76.9 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 113.5 | -176.6 | 177 | 0 | 0 | 0 | 0 | 110.1 | L1720 Y1722 I1739 M1768 | L1720-V1725 HydrophobicContact CD2-CG2 3.54Å; Y1722-V1725 HydrophobicContact CD1-CG2 4.29Å; Y1722-V1725 PolarHBondContact O-N 2.75Å; Y1722-V1725 VanDerWaalsContact O-N 3.13Å; V1725-I1739 HydrophobicContact CG1-CG2 4.14Å; V1725-I1739 HydrophobicContact CG2-CG2 4.01Å; V1725-M1768 HydrophobicContact CB-CE 3.8Å; V1725-M1768 HydrophobicContact CG1-CE 3.84Å; V1725-M1768 HydrophobicContact CG1-SD 4.3Å |
| 1726 | I | 69 | Low | 77.9 | Confident | 18 Ų | 18 | 31.2 Ų | 31.2 | 9% | 0.092 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -52.7 | 172.1 | -66.5 | 172.8 | 0 | 0 | 0 | 109.1 | Q1724 T1740 Q1742 H1859 | Q1724-I1726 PolarHBondContact O-N 3.46Å; I1726-T1740 HydrophobicContact CB-CG2 4.22Å; I1726-T1740 HydrophobicContact CD1-CG2 4.31Å; I1726-T1740 HydrophobicContact CG2-CG2 4.26Å; I1726-T1740 PolarHBondContact N-O 2.89Å; I1726-Q1742 HydrophobicContact CD1-CB 3.88Å; I1726-Q1742 HydrophobicContact CG1-CB 4.01Å; I1726-H1859 VanDerWaalsContact CG2-CE1 3.45Å; I1726-H1859 WeakPolarHBondContact CG2-CE1 3.41Å; I1726-H1859 VanDerWaalsContact CG2-NE2 3.3Å; I1726-H1859 WeakPolarHBondContact CG2-NE2 3.44Å; I1726-H1859 PolarHBondContact O-CE1 3.24Å; I1726-H1859 PolarHBondContact O-NE2 2.76Å |
| 1727 | N | 72 | Confident | 78.6 | Confident | 14 Ų | 14 | 31 Ų | 31 | 8% | 0.075 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 148.9 | -174.2 | 176.1 | 52 | 0 | 0 | 0 | 111.7 | T1740 N1863 | N1727-T1740 PolarHBondContact N-O 2.99Å; N1727-T1740 VanDerWaalsContact N-O 3.09Å; N1727-T1740 PolarHBondContact O-N 3.11Å; N1727-N1863 WeakPolarHBondContact CB-OD1 3.46Å; N1727-N1863 PolarHBondContact ND2-OD1 3.1Å |
| 1728 | L | 78.8 | Confident | 78.8 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 121.4 | 175.7 | -168.9 | 80.8 | 0 | 0 | 0 | 109.3 | L1737 I1739 Y1761 I1764 L1784 | L1728-L1737 HydrophobicContact CD1-CD1 4.41Å; L1728-I1739 HydrophobicContact CD1-CB 4.34Å; L1728-I1739 HydrophobicContact CD1-CD1 4.18Å; L1728-I1739 HydrophobicContact CD1-CG1 3.78Å; L1728-I1739 HydrophobicContact CD1-CG2 4.18Å; L1728-Y1761 HydrophobicContact CB-CE2 4.43Å; L1728-Y1761 HydrophobicContact CD2-CD2 3.55Å; L1728-Y1761 HydrophobicContact CD2-CE2 3.83Å; L1728-Y1761 HydrophobicContact CD2-CG 4.4Å; L1728-Y1761 HydrophobicContact CG-CD2 3.81Å; L1728-Y1761 HydrophobicContact CG-CE2 4.08Å; L1728-Y1761 WeakPolarHBondContact O-CE2 3.47Å; L1728-I1764 HydrophobicContact CD1-CD1 4.4Å; L1728-I1764 HydrophobicContact CD1-CG2 4.2Å; L1728-I1764 HydrophobicContact CD2-CB 3.9Å; L1728-I1764 HydrophobicContact CD2-CG2 3.54Å; L1728-L1784 HydrophobicContact CB-CD2 4.29Å |
| 1729 | T | 75.5 | Confident | 78.9 | Confident | 17 Ų | 17 | 27.1 Ų | 27.1 | 10% | 0.104 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 155.2 | 175.9 | 49.5 | 0 | 0 | 0 | 0 | 111 | C1738 | T1729-C1738 PolarHBondContact N-O 2.79Å; T1729-C1738 PolarHBondContact O-N 2.87Å; T1729-C1738 WeakPolarHBondContact OG1-CB 3.4Å |
| 1730 | Y | 80.6 | Confident | 78.5 | Confident | 33 Ų | 33 | 26.6 Ų | 26.6 | 13% | 0.129 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 156.2 | 172.5 | 93.7 | -85.6 | 0 | 0 | 0 | 110.5 | I1736 R1758 Y1761 | Y1730-I1736 CarbonylContact C-O 3.53Å; Y1730-I1736 WeakPolarHBondContact CA-O 3.33Å; Y1730-R1758 HydrophobicContact CD2-CB 4.01Å; Y1730-R1758 HydrophobicContact CE1-CG 4.37Å; Y1730-R1758 HydrophobicContact CE2-CB 3.47Å; Y1730-R1758 VanDerWaalsContact CE2-CB 3.47Å; Y1730-R1758 HydrophobicContact CE2-CG 3.96Å; Y1730-Y1761 AromaticContact CD1-CD1 3.47Å; Y1730-Y1761 HydrophobicContact CD1-CD1 3.47Å; Y1730-Y1761 VanDerWaalsContact CD1-CD1 3.47Å; Y1730-Y1761 AromaticContact CD1-CD2 3.86Å; Y1730-Y1761 HydrophobicContact CD1-CD2 3.86Å; Y1730-Y1761 HydrophobicContact CD1-CE1 4.06Å; Y1730-Y1761 HydrophobicContact CD1-CE2 4.39Å; Y1730-Y1761 AromaticContact CD1-CG 3.39Å; Y1730-Y1761 HydrophobicContact CD1-CG 3.39Å; Y1730-Y1761 AromaticContact CE1-CD1 3.8Å; Y1730-Y1761 HydrophobicContact CE1-CD1 3.8Å; Y1730-Y1761 HydrophobicContact CE1-CE1 4.22Å; Y1730-Y1761 HydrophobicContact CE1-CG 4.19Å; Y1730-Y1761 HydrophobicContact CG-CD1 4.49Å; Y1730-Y1761 HydrophobicContact CG-CD2 4.48Å; Y1730-Y1761 HydrophobicContact CG-CG 4.06Å |
| 1731 | R | 71.4 | Confident | 78.2 | Confident | 31 Ų | 31 | 26.9 Ų | 26.9 | 12% | 0.117 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 108.5 | 173.6 | -162.6 | 171.9 | -168.5 | -124.9 | -5.2 | 108.9 | N1733 H1735 I1736 M1870 S1874 | R1731-N1733 PolarHBondContact O-N 2.66Å; R1731-H1735 PolarHBondContact O-N 3Å; R1731-H1735 VanDerWaalsContact O-N 3.1Å; R1731-I1736 PolarHBondContact N-O 2.96Å; R1731-I1736 PolarHBondContact O-N 3.06Å; R1731-M1870 HydrophobicContact CB-CE 3.68Å; R1731-M1870 HydrophobicContact CB-SD 4.37Å; R1731-M1870 PolarHBondContact NH1-O 2.87Å; R1731-S1874 PolarHBondContact NH1-OG 3.19Å |
| 1732 | S | 72.4 | Confident | 77.6 | Confident | 45 Ų | 45 | 29.9 Ų | 29.9 | 32% | 0.315 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -36.6 | -179.8 | 24 | 0 | 0 | 0 | 0 | 112.4 | H1735 | S1732-H1735 PolarHBondContact O-N 3.25Å; S1732-H1735 PolarHBondContact O-ND1 3.47Å |
| 1733 | N | 71.5 | Confident | 76.9 | Confident | 98 Ų | 98 | 32 Ų | 32 | 52% | 0.524 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -29.5 | -163.9 | -39.1 | -1.5 | 0 | 0 | 0 | 111.5 | R1731 D1806 | R1731-N1733 PolarHBondContact O-N 2.66Å; N1733-D1806 PolarHBondContact ND2-OD1 2.97Å |
| 1734 | T | 76.4 | Confident | 76.7 | Confident | 25 Ų | 25 | 36.8 Ų | 36.8 | 15% | 0.153 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -1.5 | 174.7 | 53.3 | 0 | 0 | 0 | 0 | 112.6 | I1736 Y1753 | T1734-I1736 PolarHBondContact O-N 3.13Å; T1734-Y1753 VanDerWaalsContact O-CE2 3.28Å; T1734-Y1753 WeakPolarHBondContact O-CE2 3.17Å |
| 1735 | H | 84.4 | Confident | 76 | Confident | 69 Ų | 69 | 40.6 Ų | 40.6 | 32% | 0.319 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 28.5 | -173.6 | -58.7 | -54.2 | 0 | 0 | 0 | 114.8 | R1731 S1732 Y1753 T1754 | R1731-H1735 PolarHBondContact O-N 3Å; R1731-H1735 VanDerWaalsContact O-N 3.1Å; S1732-H1735 PolarHBondContact O-N 3.25Å; S1732-H1735 PolarHBondContact O-ND1 3.47Å; H1735-Y1753 HydrophobicContact CB-CD2 4.22Å; H1735-Y1753 HydrophobicContact CB-CE1 4.46Å; H1735-Y1753 HydrophobicContact CB-CE2 3.73Å; H1735-Y1753 CarbonylContact O-C 3.51Å; H1735-T1754 WeakPolarHBondContact CB-O 3.39Å; H1735-T1754 CarbonylContact O-C 3.48Å; H1735-T1754 PolarHBondContact O-N 3.04Å |
| 1736 | I | 82.5 | Confident | 75.2 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 134.6 | -179.8 | -55.1 | 174.2 | 0 | 0 | 0 | 110.6 | S1691 Y1730 R1731 T1734 L1751 M1870 | S1691-I1736 WeakPolarHBondContact O-CD1 3.12Å; Y1730-I1736 CarbonylContact C-O 3.53Å; Y1730-I1736 WeakPolarHBondContact CA-O 3.33Å; R1731-I1736 PolarHBondContact N-O 2.96Å; R1731-I1736 PolarHBondContact O-N 3.06Å; T1734-I1736 PolarHBondContact O-N 3.13Å; I1736-L1751 HydrophobicContact CG2-CD2 3.75Å; I1736-M1870 HydrophobicContact CB-CE 3.76Å; I1736-M1870 HydrophobicContact CG2-CE 3.71Å; I1736-M1870 WeakPolarHBondContact O-CE 3.49Å |
| 1737 | L | 88 | Confident | 75.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 139.5 | 162.4 | 178.7 | 75.4 | 0 | 0 | 0 | 108.2 | L1700 L1728 I1739 F1752 V1760 Y1761 I1764 | L1700-L1737 HydrophobicContact CD1-CD2 4.32Å; L1728-L1737 HydrophobicContact CD1-CD1 4.41Å; L1737-I1739 HydrophobicContact CD2-CD1 4.44Å; L1737-F1752 HydrophobicContact CB-CB 4.34Å; L1737-F1752 PolarHBondContact N-O 2.85Å; L1737-F1752 PolarHBondContact O-N 2.86Å; L1737-V1760 HydrophobicContact CD2-CB 4.41Å; L1737-V1760 HydrophobicContact CD2-CG1 3.74Å; L1737-Y1761 HydrophobicContact CD1-CD2 4.5Å; L1737-I1764 HydrophobicContact CD2-CD1 4.2Å |
| 1738 | C | 84.3 | Confident | 75.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.7 | 179.1 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | T1729 M1749 L1751 S1866 M1870 | T1729-C1738 PolarHBondContact N-O 2.79Å; T1729-C1738 PolarHBondContact O-N 2.87Å; T1729-C1738 WeakPolarHBondContact OG1-CB 3.4Å; C1738-M1749 WeakPolarHBondContact SG-CG 3.38Å; C1738-L1751 HydrophobicContact CB-CD2 3.81Å; C1738-S1866 PolarHBondContact SG-OG 3.3Å; C1738-M1870 HydrophobicContact CB-CE 4.27Å; C1738-M1870 HydrophobicContact CB-SD 4.48Å |
| 1739 | I | 86 | Confident | 75 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 113.4 | 179.2 | -42.1 | -169.5 | 0 | 0 | 0 | 107.7 | L1707 L1720 V1725 L1728 L1737 D1750 F1752 | L1707-I1739 HydrophobicContact CD2-CD1 3.5Å; L1720-I1739 HydrophobicContact CD1-CG2 4.22Å; V1725-I1739 HydrophobicContact CG1-CG2 4.14Å; V1725-I1739 HydrophobicContact CG2-CG2 4.01Å; L1728-I1739 HydrophobicContact CD1-CB 4.34Å; L1728-I1739 HydrophobicContact CD1-CD1 4.18Å; L1728-I1739 HydrophobicContact CD1-CG1 3.78Å; L1728-I1739 HydrophobicContact CD1-CG2 4.18Å; L1737-I1739 HydrophobicContact CD2-CD1 4.44Å; I1739-D1750 PolarHBondContact N-O 3.04Å; I1739-D1750 PolarHBondContact O-N 3.42Å; I1739-F1752 HydrophobicContact CB-CE2 4.47Å; I1739-F1752 HydrophobicContact CD1-CD2 4.05Å; I1739-F1752 HydrophobicContact CD1-CE2 3.7Å; I1739-F1752 HydrophobicContact CG1-CD2 4.02Å; I1739-F1752 HydrophobicContact CG1-CE2 3.86Å |
| 1740 | T | 76.7 | Confident | 75.3 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 132.4 | 170.8 | -43.1 | 0 | 0 | 0 | 0 | 108 | I1726 N1727 Q1748 | I1726-T1740 HydrophobicContact CB-CG2 4.22Å; I1726-T1740 HydrophobicContact CD1-CG2 4.31Å; I1726-T1740 HydrophobicContact CG2-CG2 4.26Å; I1726-T1740 PolarHBondContact N-O 2.89Å; N1727-T1740 PolarHBondContact N-O 2.99Å; N1727-T1740 VanDerWaalsContact N-O 3.09Å; N1727-T1740 PolarHBondContact O-N 3.11Å; T1740-Q1748 CarbonylContact C-O 3.46Å; T1740-Q1748 WeakPolarHBondContact CA-O 3.46Å |
| 1741 | R | 78.3 | Confident | 75.6 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 152.5 | -175.7 | 55.4 | 165.2 | 163.2 | 162.6 | -3.2 | 113 | E1718 L1720 Q1724 I1743 S1747 Q1748 D1750 | E1718-R1741 VanDerWaalsContact CD-NH2 3.35Å; E1718-R1741 IonicContact OE1-CZ 3.68Å; E1718-R1741 IonicContact OE1-NH1 2.66Å; E1718-R1741 PolarHBondContact OE1-NH1 2.04Å; E1718-R1741 IonicContact OE1-NH2 2.75Å; E1718-R1741 PolarHBondContact OE1-NH2 3.21Å; E1718-R1741 IonicContact OE2-NH2 3.75Å; E1718-R1741 PolarHBondContact OE2-NH2 2.79Å; L1720-R1741 HydrophobicContact CD2-CB 4.48Å; Q1724-R1741 CarbonylContact O-C 3.15Å; Q1724-R1741 WeakPolarHBondContact O-CA 3.31Å; Q1724-R1741 WeakPolarHBondContact O-CB 3.41Å; R1741-I1743 HydrophobicContact CG-CG1 4.4Å; R1741-S1747 CarbonylContact O-C 3.58Å; R1741-S1747 WeakPolarHBondContact O-CA 3.45Å; R1741-Q1748 HydrophobicContact CG-CB 4.32Å; R1741-Q1748 PolarHBondContact N-O 2.84Å; R1741-Q1748 VanDerWaalsContact NH2-NE2 3.2Å; R1741-Q1748 PolarHBondContact O-N 3.46Å; R1741-D1750 IonicContact CZ-OD2 2.76Å; R1741-D1750 VanDerWaalsContact CZ-OD2 3.22Å; R1741-D1750 IonicContact NE-OD2 3.31Å; R1741-D1750 PolarHBondContact NE-OD2 3Å; R1741-D1750 IonicContact NH2-OD1 3.35Å; R1741-D1750 IonicContact NH2-OD2 3.37Å; R1741-D1750 PolarHBondContact NH2-OD2 3.49Å |
| 1742 | Q | 70.4 | Confident | 76.5 | Confident | 84 Ų | 84 | 54.3 Ų | 54.3 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129.5 | 173.6 | -168.3 | 147.5 | -15.6 | 0 | 0 | 110.4 | Q1724 I1726 Y1744 | Q1724-Q1742 PolarHBondContact O-N 2.86Å; I1726-Q1742 HydrophobicContact CD1-CB 3.88Å; I1726-Q1742 HydrophobicContact CG1-CB 4.01Å; Q1742-Y1744 WeakPolarHBondContact CG-O 3.43Å; Q1742-Y1744 PolarHBondContact NE2-O 3.02Å; Q1742-Y1744 VanDerWaalsContact NE2-O 3.09Å |
| 1743 | I | 68.7 | Low | 77.3 | Confident | 48 Ų | 48 | 53.7 Ų | 53.7 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 104.4 | 174.5 | -50.8 | 179.9 | 0 | 0 | 0 | 106.6 | R1741 D1745 H1746 Q1748 | R1741-I1743 HydrophobicContact CG-CG1 4.4Å; I1743-D1745 PolarHBondContact O-N 2.94Å; I1743-H1746 PolarHBondContact N-O 3.47Å; I1743-H1746 PolarHBondContact O-N 3.42Å; I1743-H1746 VanDerWaalsContact O-N 3.16Å; I1743-Q1748 HydrophobicContact CD1-CB 4.03Å |
| 1744 | Y | 69.9 | Low | 78.1 | Confident | 201 Ų | 201 | 49.2 Ų | 49.2 | 79% | 0.788 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | -125.5 | -165 | -46.3 | -73.8 | 0 | 0 | 0 | 110.2 | Q1742 H1746 | Q1742-Y1744 WeakPolarHBondContact CG-O 3.43Å; Q1742-Y1744 PolarHBondContact NE2-O 3.02Å; Q1742-Y1744 VanDerWaalsContact NE2-O 3.09Å; Y1744-H1746 VanDerWaalsContact C-N 3.32Å; Y1744-H1746 PolarHBondContact O-N 3.44Å |
| 1745 | D | 62.7 | Low | 78.5 | Confident | 147 Ų | 147 | 51.4 Ų | 51.4 | 79% | 0.786 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 16.5 | -178.3 | -53.2 | -46.5 | 0 | 0 | 0 | 113.5 | I1743 | I1743-D1745 PolarHBondContact O-N 2.94Š|
| 1746 | H | 59.1 | Low | 78.7 | Confident | 144 Ų | 144 | 52.5 Ų | 52.5 | 67% | 0.667 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130.4 | -173.5 | -62.9 | -11.5 | 0 | 0 | 0 | 112.4 | I1743 Y1744 | I1743-H1746 PolarHBondContact N-O 3.47Å; I1743-H1746 PolarHBondContact O-N 3.42Å; I1743-H1746 VanDerWaalsContact O-N 3.16Å; Y1744-H1746 VanDerWaalsContact C-N 3.32Å; Y1744-H1746 PolarHBondContact O-N 3.44Å |
| 1747 | S | 66.9 | Low | 78.9 | Confident | 59 Ų | 59 | 52.5 Ų | 52.5 | 41% | 0.413 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 114.3 | 173.5 | 59.6 | 0 | 0 | 0 | 0 | 111 | R1741 Q1862 | R1741-S1747 CarbonylContact O-C 3.58Å; R1741-S1747 WeakPolarHBondContact O-CA 3.45Å; S1747-Q1862 PolarHBondContact OG-NE2 3.4Å |
| 1748 | Q | 74.7 | Confident | 78.7 | Confident | 78 Ų | 78 | 59.5 Ų | 59.5 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 140.3 | 170.7 | 175.8 | 170.8 | -32 | 0 | 0 | 110.3 | T1740 R1741 I1743 D1750 | T1740-Q1748 CarbonylContact C-O 3.46Å; T1740-Q1748 WeakPolarHBondContact CA-O 3.46Å; R1741-Q1748 HydrophobicContact CG-CB 4.32Å; R1741-Q1748 PolarHBondContact N-O 2.84Å; R1741-Q1748 VanDerWaalsContact NH2-NE2 3.2Å; R1741-Q1748 PolarHBondContact O-N 3.46Å; I1743-Q1748 HydrophobicContact CD1-CB 4.03Å; Q1748-D1750 PolarHBondContact NE2-OD1 3.43Å; Q1748-D1750 PolarHBondContact NE2-OD2 3.49Å |
| 1749 | M | 74.6 | Confident | 78.8 | Confident | 69 Ų | 69 | 63.3 Ų | 63.3 | 34% | 0.34 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 117.4 | 172.5 | -166 | -170.6 | -60.7 | 0 | 0 | 109.4 | C1738 | C1738-M1749 WeakPolarHBondContact SG-CG 3.38Å |
| 1750 | D | 82.8 | Confident | 78.9 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 5% | 0.053 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 135.1 | 173.6 | -74.1 | -84.8 | 0 | 0 | 0 | 110.1 | R1689 I1739 R1741 Q1748 F1752 | R1689-D1750 IonicContact CZ-OD1 2.75Å; R1689-D1750 IonicContact NE-OD1 2.64Å; R1689-D1750 IonicContact NH2-OD1 3.39Å; R1689-D1750 PolarHBondContact NH2-OD1 3.03Å; I1739-D1750 PolarHBondContact N-O 3.04Å; I1739-D1750 PolarHBondContact O-N 3.42Å; R1741-D1750 IonicContact CZ-OD2 2.76Å; R1741-D1750 VanDerWaalsContact CZ-OD2 3.22Å; R1741-D1750 IonicContact NE-OD2 3.31Å; R1741-D1750 PolarHBondContact NE-OD2 3Å; R1741-D1750 IonicContact NH2-OD1 3.35Å; R1741-D1750 IonicContact NH2-OD2 3.37Å; R1741-D1750 PolarHBondContact NH2-OD2 3.49Å; Q1748-D1750 PolarHBondContact NE2-OD1 3.43Å; Q1748-D1750 PolarHBondContact NE2-OD2 3.49Å; D1750-F1752 HydrophobicContact CB-CE2 3.66Å; D1750-F1752 HydrophobicContact CB-CZ 3.84Å |
| 1751 | L | 86.3 | Confident | 79.5 | Confident | 49 Ų | 49 | 64 Ų | 64 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.4 | 179.1 | -75 | 163 | 0 | 0 | 0 | 110.2 | G1690 I1736 C1738 | G1690-L1751 PolarHBondContact N-O 3.2Å; G1690-L1751 CarbonylContact O-C 3.57Å; G1690-L1751 VanDerWaalsContact O-C 3.29Å; I1736-L1751 HydrophobicContact CG2-CD2 3.75Å; C1738-L1751 HydrophobicContact CB-CD2 3.81Å |
| 1752 | F | 89.5 | Confident | 79.8 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 116 | -179 | -58.3 | -77.2 | 0 | 0 | 0 | 110.8 | A1687 Y1688 R1689 G1690 I1698 L1700 I1709 L1737 I1739 D1750 | A1687-F1752 HydrophobicContact CB-CB 4.4Å; Y1688-F1752 CarbonylContact O-C 3.57Å; Y1688-F1752 WeakPolarHBondContact O-CA 3.5Å; R1689-F1752 HydrophobicContact CG-CE1 4.19Å; G1690-F1752 CarbonylContact O-C 3.2Å; G1690-F1752 PolarHBondContact O-N 3.4Å; I1698-F1752 HydrophobicContact CD1-CD1 3.77Å; I1698-F1752 HydrophobicContact CD1-CE1 3.62Å; L1700-F1752 HydrophobicContact CD1-CB 4.2Å; L1700-F1752 HydrophobicContact CD1-CD1 4.23Å; L1700-F1752 HydrophobicContact CD1-CG 4.08Å; L1700-F1752 HydrophobicContact CD2-CD1 4.26Å; L1700-F1752 HydrophobicContact CD2-CE1 4.11Å; L1700-F1752 HydrophobicContact CD2-CZ 4.49Å; I1709-F1752 HydrophobicContact CD1-CE1 4.24Å; I1709-F1752 HydrophobicContact CD1-CZ 3.9Å; L1737-F1752 HydrophobicContact CB-CB 4.34Å; L1737-F1752 PolarHBondContact N-O 2.85Å; L1737-F1752 PolarHBondContact O-N 2.86Å; I1739-F1752 HydrophobicContact CB-CE2 4.47Å; I1739-F1752 HydrophobicContact CD1-CD2 4.05Å; I1739-F1752 HydrophobicContact CD1-CE2 3.7Å; I1739-F1752 HydrophobicContact CG1-CD2 4.02Å; I1739-F1752 HydrophobicContact CG1-CE2 3.86Å; D1750-F1752 HydrophobicContact CB-CE2 3.66Å; D1750-F1752 HydrophobicContact CB-CZ 3.84Å |
| 1753 | Y | 89.6 | Confident | 80.6 | Confident | 31 Ų | 31 | 65.7 Ų | 65.7 | 12% | 0.122 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 118.4 | 169.7 | 178.2 | -80.8 | 0 | 0 | 0 | 109.5 | A1687 Y1688 G1690 E1693 T1734 H1735 R1755 | A1687-Y1753 CarbonylContact C-O 3.55Å; A1687-Y1753 WeakPolarHBondContact CA-O 3.23Å; Y1688-Y1753 AromaticContact CD2-CD1 3.98Å; Y1688-Y1753 HydrophobicContact CD2-CD1 3.98Å; Y1688-Y1753 PolarHBondContact N-O 2.9Å; Y1688-Y1753 PolarHBondContact O-N 3.04Å; G1690-Y1753 PolarHBondContact O-N 3.36Å; G1690-Y1753 VanDerWaalsContact O-N 3.13Å; E1693-Y1753 HydrophobicContact CG-CD1 3.63Å; E1693-Y1753 HydrophobicContact CG-CE1 3.23Å; E1693-Y1753 HydrophobicContact CG-CE2 4.38Å; E1693-Y1753 HydrophobicContact CG-CG 4.39Å; E1693-Y1753 WeakPolarHBondContact OE1-CE1 3.43Å; E1693-Y1753 PolarHBondContact OE1-OH 3.22Å; T1734-Y1753 VanDerWaalsContact O-CE2 3.28Å; T1734-Y1753 WeakPolarHBondContact O-CE2 3.17Å; H1735-Y1753 HydrophobicContact CB-CD2 4.22Å; H1735-Y1753 HydrophobicContact CB-CE1 4.46Å; H1735-Y1753 HydrophobicContact CB-CE2 3.73Å; H1735-Y1753 CarbonylContact O-C 3.51Å; Y1753-R1755 HydrophobicContact CE1-CG 4.31Å |
| 1754 | T | 88.7 | Confident | 81.4 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | trans | -150 | 131.9 | 171.1 | 177 | 0 | 0 | 0 | 0 | 111.4 | E1686 A1687 H1735 K1756 S1757 V1760 | E1686-T1754 VanDerWaalsContact O-CB 3.25Å; E1686-T1754 WeakPolarHBondContact O-CB 3.45Å; E1686-T1754 PolarHBondContact O-OG1 3.45Å; A1687-T1754 HydrophobicContact CB-CG2 4.26Å; H1735-T1754 WeakPolarHBondContact CB-O 3.39Å; H1735-T1754 CarbonylContact O-C 3.48Å; H1735-T1754 PolarHBondContact O-N 3.04Å; T1754-K1756 PolarHBondContact O-N 3.39Å; T1754-K1756 PolarHBondContact OG1-N 2.85Å; T1754-S1757 VanDerWaalsContact O-CB 3.26Å; T1754-S1757 WeakPolarHBondContact O-CB 3.47Å; T1754-S1757 PolarHBondContact O-N 2.79Å; T1754-S1757 PolarHBondContact O-OG 3Å; T1754-V1760 HydrophobicContact CG2-CG2 4.23Å | ||
| 1755 | R | 85.4 | Confident | 82 | Confident | 71 Ų | 71 | 55.1 Ų | 55.1 | 27% | 0.268 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -22.4 | -179.8 | -63.9 | 172.8 | -171.5 | 168.7 | -5 | 112.5 | S796 S799 S800 E1693 Y1753 | S796-R1755 PolarHBondContact O-NH1 2.95Å; S796-R1755 PolarHBondContact O-NH2 3.1Å; S799-R1755 PolarHBondContact O-NH1 3.08Å; S800-R1755 VanDerWaalsContact CA-NH1 3.27Å; S800-R1755 VanDerWaalsContact OG-CZ 3.22Å; S800-R1755 PolarHBondContact OG-NH1 3.29Å; S800-R1755 PolarHBondContact OG-NH2 2.98Å; E1693-R1755 IonicContact OE1-CZ 2.75Å; E1693-R1755 IonicContact OE1-NE 2.84Å; E1693-R1755 PolarHBondContact OE1-NE 3.08Å; E1693-R1755 IonicContact OE1-NH2 2.86Å; E1693-R1755 PolarHBondContact OE1-NH2 2.93Å; E1693-R1755 IonicContact OE2-NH2 3.23Å; Y1753-R1755 HydrophobicContact CE1-CG 4.31Å |
| 1756 | K | 87.4 | Confident | 82.9 | Confident | 92 Ų | 92 | 52.8 Ų | 52.8 | 40% | 0.4 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 12 | 175 | -62.6 | 179.1 | -176.9 | 173.4 | 0 | 113.8 | T1754 R1758 L1759 V1760 | T1754-K1756 PolarHBondContact O-N 3.39Å; T1754-K1756 PolarHBondContact OG1-N 2.85Å; K1756-R1758 VanDerWaalsContact C-N 3.28Å; K1756-R1758 PolarHBondContact O-N 3.03Å; K1756-L1759 WeakPolarHBondContact O-CA 3.35Å; K1756-L1759 WeakPolarHBondContact O-CB 3.3Å; K1756-L1759 PolarHBondContact O-N 2.98Å; K1756-V1760 HydrophobicContact CB-CG2 4.12Å; K1756-V1760 PolarHBondContact O-N 3.33Å |
| 1757 | S | 87.3 | Confident | 84 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -44 | -43.7 | -172.4 | 50.6 | 0 | 0 | 0 | 0 | 115.3 | T1754 Y1761 | T1754-S1757 VanDerWaalsContact O-CB 3.26Å; T1754-S1757 WeakPolarHBondContact O-CB 3.47Å; T1754-S1757 PolarHBondContact O-N 2.79Å; T1754-S1757 PolarHBondContact O-OG 3Å; S1757-Y1761 WeakPolarHBondContact O-CB 3.25Å; S1757-Y1761 PolarHBondContact O-N 2.66Å |
| 1758 | R | 84.5 | Confident | 84.5 | Confident | 147 Ų | 147 | 43.6 Ų | 43.6 | 56% | 0.555 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -57.7 | -47.2 | 173.6 | 179.4 | 173.3 | 176.2 | 163.7 | 3.6 | 113.1 | Y1730 K1756 Q1762 | Y1730-R1758 HydrophobicContact CD2-CB 4.01Å; Y1730-R1758 HydrophobicContact CE1-CG 4.37Å; Y1730-R1758 HydrophobicContact CE2-CB 3.47Å; Y1730-R1758 VanDerWaalsContact CE2-CB 3.47Å; Y1730-R1758 HydrophobicContact CE2-CG 3.96Å; K1756-R1758 VanDerWaalsContact C-N 3.28Å; K1756-R1758 PolarHBondContact O-N 3.03Å; R1758-Q1762 WeakPolarHBondContact O-CB 3.45Å; R1758-Q1762 VanDerWaalsContact O-CG 3.28Å; R1758-Q1762 WeakPolarHBondContact O-CG 3.28Å; R1758-Q1762 PolarHBondContact O-N 3.35Å |
| 1759 | L | 86.2 | Confident | 84.3 | Confident | 80 Ų | 80 | 44.9 Ų | 44.9 | 42% | 0.419 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -74 | -39.4 | -175.4 | -169.1 | 156.2 | 0 | 0 | 0 | 110.8 | K1756 Q1762 Q1763 | K1756-L1759 WeakPolarHBondContact O-CA 3.35Å; K1756-L1759 WeakPolarHBondContact O-CB 3.3Å; K1756-L1759 PolarHBondContact O-N 2.98Å; L1759-Q1762 PolarHBondContact O-N 3.22Å; L1759-Q1763 HydrophobicContact CD2-CG 4.31Å; L1759-Q1763 WeakPolarHBondContact O-CG 3.1Å; L1759-Q1763 PolarHBondContact O-N 2.9Å |
| 1760 | V | 87.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.4 | -47.4 | 171.8 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | H1685 V1702 L1737 T1754 K1756 Q1762 Q1763 I1764 | H1685-V1760 HydrophobicContact CB-CG2 3.83Å; V1702-V1760 HydrophobicContact CG2-CG1 4.44Å; L1737-V1760 HydrophobicContact CD2-CB 4.41Å; L1737-V1760 HydrophobicContact CD2-CG1 3.74Å; T1754-V1760 HydrophobicContact CG2-CG2 4.23Å; K1756-V1760 HydrophobicContact CB-CG2 4.12Å; K1756-V1760 PolarHBondContact O-N 3.33Å; V1760-Q1762 PolarHBondContact O-N 3.34Å; V1760-Q1763 PolarHBondContact O-N 2.85Å; V1760-I1764 HydrophobicContact CG1-CD1 3.85Å; V1760-I1764 HydrophobicContact CG1-CG1 4.45Å; V1760-I1764 WeakPolarHBondContact O-CG1 3.4Å; V1760-I1764 PolarHBondContact O-N 3.07Å |
| 1761 | Y | 88.1 | Confident | 82.8 | Confident | 19 Ų | 19 | 47.7 Ų | 47.7 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57 | -46.8 | 174.6 | 168.5 | -89.2 | 0 | 0 | 0 | 112.2 | L1728 Y1730 L1737 S1757 Q1763 I1764 K1765 L1784 | L1728-Y1761 HydrophobicContact CB-CE2 4.43Å; L1728-Y1761 HydrophobicContact CD2-CD2 3.55Å; L1728-Y1761 HydrophobicContact CD2-CE2 3.83Å; L1728-Y1761 HydrophobicContact CD2-CG 4.4Å; L1728-Y1761 HydrophobicContact CG-CD2 3.81Å; L1728-Y1761 HydrophobicContact CG-CE2 4.08Å; L1728-Y1761 WeakPolarHBondContact O-CE2 3.47Å; Y1730-Y1761 AromaticContact CD1-CD1 3.47Å; Y1730-Y1761 HydrophobicContact CD1-CD1 3.47Å; Y1730-Y1761 VanDerWaalsContact CD1-CD1 3.47Å; Y1730-Y1761 AromaticContact CD1-CD2 3.86Å; Y1730-Y1761 HydrophobicContact CD1-CD2 3.86Å; Y1730-Y1761 HydrophobicContact CD1-CE1 4.06Å; Y1730-Y1761 HydrophobicContact CD1-CE2 4.39Å; Y1730-Y1761 AromaticContact CD1-CG 3.39Å; Y1730-Y1761 HydrophobicContact CD1-CG 3.39Å; Y1730-Y1761 AromaticContact CE1-CD1 3.8Å; Y1730-Y1761 HydrophobicContact CE1-CD1 3.8Å; Y1730-Y1761 HydrophobicContact CE1-CE1 4.22Å; Y1730-Y1761 HydrophobicContact CE1-CG 4.19Å; Y1730-Y1761 HydrophobicContact CG-CD1 4.49Å; Y1730-Y1761 HydrophobicContact CG-CD2 4.48Å; Y1730-Y1761 HydrophobicContact CG-CG 4.06Å; L1737-Y1761 HydrophobicContact CD1-CD2 4.5Å; S1757-Y1761 WeakPolarHBondContact O-CB 3.25Å; S1757-Y1761 PolarHBondContact O-N 2.66Å; Y1761-Q1763 PolarHBondContact O-N 3.03Å; Y1761-I1764 PolarHBondContact O-N 3.23Å; Y1761-K1765 HydrophobicContact CE1-CD 4.03Å; Y1761-K1765 VanDerWaalsContact O-CB 3.28Å; Y1761-K1765 WeakPolarHBondContact O-CB 3.36Å; Y1761-K1765 PolarHBondContact O-N 3.49Å; Y1761-L1784 PolarHBondContact OH-O 2.88Å |
| 1762 | Q | 85.6 | Confident | 81 | Confident | 93 Ų | 93 | 47 Ų | 47 | 44% | 0.435 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 178.5 | -75.7 | 177.5 | -71.5 | 0 | 0 | 111.8 | R1758 L1759 V1760 K1765 E1766 | R1758-Q1762 WeakPolarHBondContact O-CB 3.45Å; R1758-Q1762 VanDerWaalsContact O-CG 3.28Å; R1758-Q1762 WeakPolarHBondContact O-CG 3.28Å; R1758-Q1762 PolarHBondContact O-N 3.35Å; L1759-Q1762 PolarHBondContact O-N 3.22Å; V1760-Q1762 PolarHBondContact O-N 3.34Å; Q1762-K1765 PolarHBondContact O-N 3.19Å; Q1762-E1766 WeakPolarHBondContact O-CG 2.89Å; Q1762-E1766 PolarHBondContact O-N 2.86Å |
| 1763 | Q | 86.9 | Confident | 79 | Confident | 34 Ų | 34 | 53.1 Ų | 53.1 | 16% | 0.159 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 177.8 | -72.9 | -174.5 | -13.2 | 0 | 0 | 113 | R1683 H1685 V1702 L1759 V1760 Y1761 E1766 S1767 | R1683-Q1763 PolarHBondContact NH1-O 2.67Å; H1685-Q1763 PolarHBondContact NE2-OE1 2.67Å; V1702-Q1763 HydrophobicContact CG1-CB 4.1Å; V1702-Q1763 HydrophobicContact CG2-CB 4.44Å; L1759-Q1763 HydrophobicContact CD2-CG 4.31Å; L1759-Q1763 WeakPolarHBondContact O-CG 3.1Å; L1759-Q1763 PolarHBondContact O-N 2.9Å; V1760-Q1763 PolarHBondContact O-N 2.85Å; Y1761-Q1763 PolarHBondContact O-N 3.03Å; Q1763-E1766 PolarHBondContact O-N 3.07Å; Q1763-S1767 PolarHBondContact O-N 3.13Å; Q1763-S1767 VanDerWaalsContact O-N 3.13Å; Q1763-S1767 PolarHBondContact O-OG 3.4Å |
| 1764 | I | 86.2 | Confident | 76.7 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 174.2 | -66.5 | 168.8 | 0 | 0 | 0 | 110 | V1702 L1707 Y1722 L1728 L1737 V1760 Y1761 E1766 S1767 M1768 | V1702-I1764 HydrophobicContact CB-CG1 4.49Å; V1702-I1764 HydrophobicContact CG1-CB 4.49Å; V1702-I1764 HydrophobicContact CG1-CG1 3.87Å; V1702-I1764 HydrophobicContact CG2-CD1 4.49Å; V1702-I1764 HydrophobicContact CG2-CG1 3.8Å; L1707-I1764 HydrophobicContact CD1-CD1 3.99Å; L1707-I1764 HydrophobicContact CD1-CG1 4.23Å; L1707-I1764 HydrophobicContact CD2-CD1 4.4Å; Y1722-I1764 HydrophobicContact CD1-CG2 4.33Å; Y1722-I1764 HydrophobicContact CE1-CG2 3.67Å; L1728-I1764 HydrophobicContact CD1-CD1 4.4Å; L1728-I1764 HydrophobicContact CD1-CG2 4.2Å; L1728-I1764 HydrophobicContact CD2-CB 3.9Å; L1728-I1764 HydrophobicContact CD2-CG2 3.54Å; L1737-I1764 HydrophobicContact CD2-CD1 4.2Å; V1760-I1764 HydrophobicContact CG1-CD1 3.85Å; V1760-I1764 HydrophobicContact CG1-CG1 4.45Å; V1760-I1764 WeakPolarHBondContact O-CG1 3.4Å; V1760-I1764 PolarHBondContact O-N 3.07Å; Y1761-I1764 PolarHBondContact O-N 3.23Å; I1764-E1766 VanDerWaalsContact C-N 3.32Å; I1764-E1766 PolarHBondContact O-N 3.37Å; I1764-S1767 PolarHBondContact O-N 3.06Å; I1764-S1767 VanDerWaalsContact O-N 3.16Å; I1764-M1768 HydrophobicContact CG2-CG 4.15Å; I1764-M1768 HydrophobicContact CG2-SD 3.83Å; I1764-M1768 WeakPolarHBondContact O-CG 3.48Å; I1764-M1768 PolarHBondContact O-N 3.09Å |
| 1765 | K | 81.9 | Confident | 74.4 | Confident | 27 Ų | 27 | 58 Ų | 58 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.9 | -38 | 177.6 | 177.1 | 163.9 | 178.6 | 150.9 | 0 | 112.5 | Y1761 Q1762 K1769 D1783 L1784 N1785 | Y1761-K1765 HydrophobicContact CE1-CD 4.03Å; Y1761-K1765 VanDerWaalsContact O-CB 3.28Å; Y1761-K1765 WeakPolarHBondContact O-CB 3.36Å; Y1761-K1765 PolarHBondContact O-N 3.49Å; Q1762-K1765 PolarHBondContact O-N 3.19Å; K1765-K1769 WeakPolarHBondContact O-CG 3.31Å; K1765-K1769 PolarHBondContact O-N 3.25Å; K1765-K1769 VanDerWaalsContact O-N 3.09Å; K1765-D1783 WeakPolarHBondContact CE-OD1 3.38Å; K1765-D1783 IonicContact NZ-OD1 3.38Å; K1765-D1783 PolarHBondContact NZ-OD1 3.43Å; K1765-L1784 HydrophobicContact CB-CD1 4.29Å; K1765-L1784 HydrophobicContact CD-CB 3.78Å; K1765-L1784 HydrophobicContact CG-CB 4.18Å; K1765-L1784 HydrophobicContact CG-CD1 4.07Å; K1765-L1784 VanDerWaalsContact NZ-C 3.33Å; K1765-N1785 PolarHBondContact NZ-OD1 3.26Å |
| 1766 | E | 81.5 | Confident | 72 | Confident | 98 Ų | 98 | 60 Ų | 60 | 46% | 0.458 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 170.2 | -76.2 | 176.2 | 176.5 | 0 | 0 | 112 | R1683 Q1762 Q1763 I1764 M1768 K1769 N1770 | R1683-E1766 IonicContact CZ-OE2 2.87Å; R1683-E1766 VanDerWaalsContact CZ-OE2 3.29Å; R1683-E1766 IonicContact NH1-OE2 3.89Å; R1683-E1766 PolarHBondContact NH1-OE2 2.82Å; R1683-E1766 IonicContact NH2-OE2 3.3Å; R1683-E1766 PolarHBondContact NH2-OE2 3.42Å; Q1762-E1766 WeakPolarHBondContact O-CG 2.89Å; Q1762-E1766 PolarHBondContact O-N 2.86Å; Q1763-E1766 PolarHBondContact O-N 3.07Å; I1764-E1766 VanDerWaalsContact C-N 3.32Å; I1764-E1766 PolarHBondContact O-N 3.37Å; E1766-M1768 PolarHBondContact O-N 2.88Å; E1766-K1769 PolarHBondContact O-N 2.81Å; E1766-N1770 PolarHBondContact O-N 2.87Å; E1766-N1770 PolarHBondContact O-ND2 3.17Å; E1766-N1770 VanDerWaalsContact O-ND2 3.11Å |
| 1767 | S | 81.6 | Confident | 69.3 | Low | 8 Ų | 8 | 63.9 Ų | 63.9 | 6% | 0.056 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.4 | -46.8 | 178.4 | -70.3 | 0 | 0 | 0 | 0 | 111.9 | C1703 Q1763 I1764 K1769 N1770 | C1703-S1767 WeakPolarHBondContact O-CB 3.46Å; C1703-S1767 PolarHBondContact O-OG 2.98Å; Q1763-S1767 PolarHBondContact O-N 3.13Å; Q1763-S1767 VanDerWaalsContact O-N 3.13Å; Q1763-S1767 PolarHBondContact O-OG 3.4Å; I1764-S1767 PolarHBondContact O-N 3.06Å; I1764-S1767 VanDerWaalsContact O-N 3.16Å; S1767-K1769 PolarHBondContact O-N 2.95Å; S1767-N1770 WeakPolarHBondContact O-CB 3.45Å; S1767-N1770 PolarHBondContact O-N 3.26Å |
| 1768 | M | 77 | Confident | 66.8 | Low | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 179.5 | -67.8 | -175.5 | 72.9 | 0 | 0 | 112.8 | Y1722 V1725 I1764 E1766 N1770 I1771 S1772 L1780 L1784 | Y1722-M1768 HydrophobicContact CD1-CG 3.69Å; Y1722-M1768 HydrophobicContact CD1-SD 4.03Å; Y1722-M1768 HydrophobicContact CD2-CG 4.19Å; Y1722-M1768 HydrophobicContact CE1-CG 4.27Å; Y1722-M1768 HydrophobicContact CG-CG 3.67Å; Y1722-M1768 HydrophobicContact CG-SD 4.49Å; V1725-M1768 HydrophobicContact CB-CE 3.8Å; V1725-M1768 HydrophobicContact CG1-CE 3.84Å; V1725-M1768 HydrophobicContact CG1-SD 4.3Å; I1764-M1768 HydrophobicContact CG2-CG 4.15Å; I1764-M1768 HydrophobicContact CG2-SD 3.83Å; I1764-M1768 WeakPolarHBondContact O-CG 3.48Å; I1764-M1768 PolarHBondContact O-N 3.09Å; E1766-M1768 PolarHBondContact O-N 2.88Å; M1768-N1770 PolarHBondContact O-N 3.08Å; M1768-I1771 PolarHBondContact O-N 3.09Å; M1768-S1772 PolarHBondContact O-N 3.07Å; M1768-S1772 PolarHBondContact O-OG 3.15Å; M1768-L1780 HydrophobicContact CE-CD1 3.71Å; M1768-L1780 HydrophobicContact CE-CD2 3.6Å; M1768-L1780 HydrophobicContact CE-CG 4.33Å; M1768-L1784 HydrophobicContact CB-CD1 4.1Å; M1768-L1784 HydrophobicContact CE-CD1 4.28Å; M1768-L1784 HydrophobicContact SD-CD1 3.86Å |
| 1769 | K | 70.5 | Confident | 64.7 | Low | 104 Ų | 104 | 64.1 Ų | 64.1 | 45% | 0.452 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.1 | -30.5 | 176.3 | -82.3 | -156.9 | 172 | -158.2 | 0 | 113.4 | K1765 E1766 S1767 I1771 D1783 | K1765-K1769 WeakPolarHBondContact O-CG 3.31Å; K1765-K1769 PolarHBondContact O-N 3.25Å; K1765-K1769 VanDerWaalsContact O-N 3.09Å; E1766-K1769 PolarHBondContact O-N 2.81Å; S1767-K1769 PolarHBondContact O-N 2.95Å; K1769-I1771 PolarHBondContact O-N 3.31Å; K1769-D1783 VanDerWaalsContact CE-OD1 3.28Å; K1769-D1783 WeakPolarHBondContact CE-OD1 3.41Å; K1769-D1783 WeakPolarHBondContact CE-OD2 3.36Å; K1769-D1783 VanDerWaalsContact NZ-CG 3.34Å; K1769-D1783 IonicContact NZ-OD1 3.84Å; K1769-D1783 PolarHBondContact NZ-OD1 3.16Å; K1769-D1783 IonicContact NZ-OD2 3.66Å; K1769-D1783 PolarHBondContact NZ-OD2 3.3Å |
| 1770 | N | 64 | Low | 62.3 | Low | 104 Ų | 104 | 61.9 Ų | 61.9 | 56% | 0.556 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -16.2 | 176.6 | -65.4 | -47.8 | 0 | 0 | 0 | 113.4 | E1766 S1767 M1768 | E1766-N1770 PolarHBondContact O-N 2.87Å; E1766-N1770 PolarHBondContact O-ND2 3.17Å; E1766-N1770 VanDerWaalsContact O-ND2 3.11Å; S1767-N1770 WeakPolarHBondContact O-CB 3.45Å; S1767-N1770 PolarHBondContact O-N 3.26Å; M1768-N1770 PolarHBondContact O-N 3.08Å |
| 1771 | I | 62 | Low | 59.8 | Low | 34 Ų | 34 | 67.9 Ų | 67.9 | 17% | 0.174 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -34.6 | -178.7 | -57.7 | 169.1 | 0 | 0 | 0 | 111.8 | S1704 Y1722 M1768 K1769 V1773 E1774 A1775 | S1704-I1771 WeakPolarHBondContact O-CD1 3.25Å; Y1722-I1771 HydrophobicContact CD2-CD1 3.64Å; Y1722-I1771 HydrophobicContact CG-CD1 4.22Å; M1768-I1771 PolarHBondContact O-N 3.09Å; K1769-I1771 PolarHBondContact O-N 3.31Å; I1771-V1773 PolarHBondContact O-N 3.36Å; I1771-E1774 PolarHBondContact O-N 2.89Å; I1771-A1775 PolarHBondContact O-N 2.76Å |
| 1772 | S | 49.8 | Very low | 57.3 | Low | 35 Ų | 35 | 69.1 Ų | 69.1 | 25% | 0.245 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -14.8 | -178 | -58 | 0 | 0 | 0 | 0 | 113.9 | M1768 E1774 L1780 | M1768-S1772 PolarHBondContact O-N 3.07Å; M1768-S1772 PolarHBondContact O-OG 3.15Å; S1772-E1774 VanDerWaalsContact C-N 3.33Å; S1772-L1780 PolarHBondContact OG-O 3.48Å |
| 1773 | V | 47.1 | Very low | 55.2 | Low | 129 Ų | 129 | 68.5 Ų | 68.5 | 78% | 0.782 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -22.4 | 172.2 | -173.3 | 0 | 0 | 0 | 0 | 112.7 | I1771 | I1771-V1773 PolarHBondContact O-N 3.36Š|
| 1774 | E | 41.5 | Very low | 53.1 | Low | 95 Ų | 95 | 68.2 Ų | 68.2 | 44% | 0.444 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -13 | -177.9 | -59.7 | -171.4 | 161.9 | 0 | 0 | 113.9 | I1771 S1772 S1776 | I1771-E1774 PolarHBondContact O-N 2.89Å; S1772-E1774 VanDerWaalsContact C-N 3.33Å; E1774-S1776 PolarHBondContact O-N 3.06Å |
| 1775 | A | 40 | Very low | 51.1 | Low | 43 Ų | 43 | 72.7 Ų | 72.7 | 36% | 0.355 | 42% | 0.419 | S | S | . | . | trans | -100.4 | 87.6 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1771 H1777 | I1771-A1775 PolarHBondContact O-N 2.76Å; A1775-H1777 PolarHBondContact O-N 3.17Å | ||
| 1776 | S | 35 | Very low | 49.5 | Very low | 113 Ų | 113 | 72.2 Ų | 72.2 | 79% | 0.79 | 42% | 0.422 | S | S | * | . | trans | -67.7 | 15.6 | 179 | -41.9 | 0 | 0 | 0 | 0 | 115.5 | E1774 | E1774-S1776 PolarHBondContact O-N 3.06Š| ||
| 1777 | H | 31.8 | Very low | 48.2 | Very low | 173 Ų | 173 | 73 Ų | 73 | 80% | 0.801 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -132.3 | 84.4 | -169.2 | -71.3 | -13 | 0 | 0 | 0 | 112.9 | A1775 I1779 | A1775-H1777 PolarHBondContact O-N 3.17Å; H1777-I1779 PolarHBondContact O-N 3.14Å; H1777-I1779 VanDerWaalsContact O-N 3.17Å |
| 1778 | G | 33.5 | Very low | 47.7 | Very low | 73 Ų | 73 | 73.5 Ų | 73.5 | 75% | 0.753 | 43% | 0.427 | S | S | * | . | S | Bend | 95.1 | -44.2 | 129.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||
| 1779 | I | 40.1 | Very low | 47.5 | Very low | 81 Ų | 81 | 79.4 Ų | 79.4 | 42% | 0.415 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -116 | -30.6 | -160.9 | -58.4 | -178.7 | 0 | 0 | 0 | 115 | H1777 | H1777-I1779 PolarHBondContact O-N 3.14Å; H1777-I1779 VanDerWaalsContact O-N 3.17Å |
| 1780 | L | 36.6 | Very low | 48.1 | Very low | 33 Ų | 33 | 74.7 Ų | 74.7 | 17% | 0.173 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -108.2 | 15.6 | -167.1 | -69.2 | 175.6 | 0 | 0 | 0 | 116.3 | M1768 S1772 G1782 | M1768-L1780 HydrophobicContact CE-CD1 3.71Å; M1768-L1780 HydrophobicContact CE-CD2 3.6Å; M1768-L1780 HydrophobicContact CE-CG 4.33Å; S1772-L1780 PolarHBondContact OG-O 3.48Å; L1780-G1782 VanDerWaalsContact C-N 3.31Å |
| 1781 | N | 35.6 | Very low | 48.9 | Very low | 127 Ų | 127 | 72.3 Ų | 72.3 | 68% | 0.679 | 43% | 0.429 | S | S | * | . | trans | -79.1 | -11 | 178.2 | -76.5 | -0.8 | 0 | 0 | 0 | 114.1 | ||||
| 1782 | G | 36.1 | Very low | 50.1 | Low | 44 Ų | 44 | 71.4 Ų | 71.4 | 45% | 0.454 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -79.2 | 123.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1780 L1784 | L1780-G1782 VanDerWaalsContact C-N 3.31Å; G1782-L1784 PolarHBondContact O-N 3.04Å |
| 1783 | D | 40 | Very low | 51.8 | Low | 80 Ų | 80 | 72.1 Ų | 72.1 | 43% | 0.428 | 43% | 0.425 | S | S | . | . | trans | -55 | 131.2 | 171.6 | -159.6 | -35.2 | 0 | 0 | 0 | 109.1 | K1765 K1769 N1785 G1786 | K1765-D1783 WeakPolarHBondContact CE-OD1 3.38Å; K1765-D1783 IonicContact NZ-OD1 3.38Å; K1765-D1783 PolarHBondContact NZ-OD1 3.43Å; K1769-D1783 VanDerWaalsContact CE-OD1 3.28Å; K1769-D1783 WeakPolarHBondContact CE-OD1 3.41Å; K1769-D1783 WeakPolarHBondContact CE-OD2 3.36Å; K1769-D1783 VanDerWaalsContact NZ-CG 3.34Å; K1769-D1783 IonicContact NZ-OD1 3.84Å; K1769-D1783 PolarHBondContact NZ-OD1 3.16Å; K1769-D1783 IonicContact NZ-OD2 3.66Å; K1769-D1783 PolarHBondContact NZ-OD2 3.3Å; D1783-N1785 CarbonylContact O-C 3.6Å; D1783-N1785 PolarHBondContact O-N 2.96Å; D1783-G1786 PolarHBondContact O-N 3.36Å | ||
| 1784 | L | 44.4 | Very low | 53.4 | Low | 29 Ų | 29 | 69.5 Ų | 69.5 | 15% | 0.152 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 14.3 | -165.6 | -81.5 | 162.9 | 0 | 0 | 0 | 116.7 | L1728 Y1761 K1765 M1768 G1782 | L1728-L1784 HydrophobicContact CB-CD2 4.29Å; Y1761-L1784 PolarHBondContact OH-O 2.88Å; K1765-L1784 HydrophobicContact CB-CD1 4.29Å; K1765-L1784 HydrophobicContact CD-CB 3.78Å; K1765-L1784 HydrophobicContact CG-CB 4.18Å; K1765-L1784 HydrophobicContact CG-CD1 4.07Å; K1765-L1784 VanDerWaalsContact NZ-C 3.33Å; M1768-L1784 HydrophobicContact CB-CD1 4.1Å; M1768-L1784 HydrophobicContact CE-CD1 4.28Å; M1768-L1784 HydrophobicContact SD-CD1 3.86Å; G1782-L1784 PolarHBondContact O-N 3.04Å |
| 1785 | N | 43.9 | Very low | 55.4 | Low | 95 Ų | 95 | 69 Ų | 69 | 51% | 0.508 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -2.8 | 159.6 | -62.4 | 5.4 | 0 | 0 | 0 | 111.8 | K1765 D1783 I1803 | K1765-N1785 PolarHBondContact NZ-OD1 3.26Å; D1783-N1785 CarbonylContact O-C 3.6Å; D1783-N1785 PolarHBondContact O-N 2.96Å; N1785-I1803 PolarHBondContact O-N 3.47Å |
| 1786 | G | 48.1 | Very low | 57.3 | Low | 17 Ų | 17 | 72.6 Ų | 72.6 | 18% | 0.175 | 42% | 0.42 | C | S | . | . | trans | 52.7 | 69.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1783 I1788 S1802 I1803 | D1783-G1786 PolarHBondContact O-N 3.36Å; G1786-I1788 PolarHBondContact O-N 3.25Å; G1786-S1802 WeakPolarHBondContact O-CA 3.41Å; G1786-I1803 PolarHBondContact O-N 3.42Å; G1786-I1803 VanDerWaalsContact O-N 3.13Å | ||
| 1787 | E | 54.1 | Low | 59.6 | Low | 115 Ų | 115 | 71.2 Ų | 71.2 | 54% | 0.537 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 108.5 | 153.8 | -66.2 | -142.7 | 118 | 0 | 0 | 107.7 | I1801 S1802 | E1787-I1801 WeakPolarHBondContact CA-O 3.42Å; E1787-S1802 PolarHBondContact OE1-OG 2.97Å |
| 1788 | I | 70.2 | Confident | 62 | Low | 18 Ų | 18 | 67.6 Ų | 67.6 | 9% | 0.092 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 121.4 | -178.1 | -65.5 | 168.9 | 0 | 0 | 0 | 107.9 | G1786 A1790 T1800 I1801 I1803 M1856 L1860 | G1786-I1788 PolarHBondContact O-N 3.25Å; I1788-A1790 PolarHBondContact O-N 3.04Å; I1788-T1800 WeakPolarHBondContact O-CA 3.21Å; I1788-I1801 PolarHBondContact N-O 3.14Å; I1788-I1801 PolarHBondContact O-N 3.07Å; I1788-I1803 HydrophobicContact CD1-CD1 3.95Å; I1788-M1856 HydrophobicContact CG2-CB 3.94Å; I1788-L1860 HydrophobicContact CB-CD1 4.32Å; I1788-L1860 HydrophobicContact CD1-CD1 4.13Å; I1788-L1860 HydrophobicContact CD1-CG 3.76Å; I1788-L1860 HydrophobicContact CG2-CD1 3.87Å |
| 1789 | N | 73.5 | Confident | 64.4 | Low | 125 Ų | 125 | 65 Ų | 65 | 67% | 0.668 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 129.5 | 172.9 | -68.7 | -10 | 0 | 0 | 0 | 109.3 | T1854 | N1789-T1854 WeakPolarHBondContact O-CB 3.26Å; N1789-T1854 PolarHBondContact O-OG1 3.27Å |
| 1790 | A | 82 | Confident | 66.5 | Low | 5 Ų | 5 | 62.5 Ų | 62.5 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 155.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I1788 G1799 I1801 F1812 F1852 Q1853 T1854 | I1788-A1790 PolarHBondContact O-N 3.04Å; A1790-G1799 PolarHBondContact N-O 2.66Å; A1790-G1799 PolarHBondContact O-N 3.23Å; A1790-G1799 VanDerWaalsContact O-O 3.06Å; A1790-I1801 HydrophobicContact CB-CD1 3.76Å; A1790-I1801 HydrophobicContact CB-CG1 3.9Å; A1790-F1812 WeakPolarHBondContact O-CE1 3.35Å; A1790-F1852 HydrophobicContact CB-CB 4.2Å; A1790-Q1853 CarbonylContact C-O 3.44Å; A1790-Q1853 WeakPolarHBondContact CA-O 3.48Å; A1790-T1854 HydrophobicContact CB-CG2 4.3Å |
| 1791 | T | 82.5 | Confident | 68.5 | Low | 54 Ų | 54 | 61 Ų | 61 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 123.3 | 174.4 | -36.4 | 0 | 0 | 0 | 0 | 108.4 | L1793 F1852 Q1853 | T1791-L1793 PolarHBondContact O-N 3.15Å; T1791-F1852 CarbonylContact O-C 3.6Å; T1791-F1852 VanDerWaalsContact O-CA 3.32Å; T1791-F1852 WeakPolarHBondContact O-CA 3.33Å; T1791-Q1853 PolarHBondContact N-O 2.94Å; T1791-Q1853 PolarHBondContact O-N 3.37Å |
| 1792 | N | 85.7 | Confident | 70.3 | Confident | 16 Ų | 16 | 55.7 Ų | 55.7 | 9% | 0.086 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 116.8 | 176.6 | 179.4 | -6 | 0 | 0 | 0 | 109.2 | D1794 N1795 N1796 Q1797 F1812 R1851 | N1792-D1794 PolarHBondContact O-N 2.78Å; N1792-D1794 WeakPolarHBondContact OD1-CB 3.18Å; N1792-D1794 PolarHBondContact OD1-N 3.05Å; N1792-D1794 PolarHBondContact OD1-OD2 3.11Å; N1792-N1795 VanDerWaalsContact CB-OD1 3.3Å; N1792-N1795 WeakPolarHBondContact CB-OD1 3.27Å; N1792-N1795 PolarHBondContact ND2-OD1 2.93Å; N1792-N1795 PolarHBondContact O-N 3.2Å; N1792-N1796 WeakPolarHBondContact O-CA 3.28Å; N1792-N1796 PolarHBondContact O-N 2.84Å; N1792-Q1797 PolarHBondContact N-O 3.13Å; N1792-F1812 HydrophobicContact CB-CD1 3.67Å; N1792-F1812 HydrophobicContact CB-CD2 4.42Å; N1792-F1812 HydrophobicContact CB-CE1 3.57Å; N1792-F1812 HydrophobicContact CB-CE2 4.34Å; N1792-F1812 HydrophobicContact CB-CG 4.12Å; N1792-F1812 HydrophobicContact CB-CZ 3.94Å; N1792-R1851 WeakPolarHBondContact CA-O 3.19Å; N1792-R1851 PolarHBondContact OD1-O 3.09Å |
| 1793 | L | 85.6 | Confident | 71.9 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 26% | 0.262 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -11.5 | -175.9 | -74.6 | 159.9 | 0 | 0 | 0 | 113.6 | T1791 I1834 R1851 Q1853 | T1791-L1793 PolarHBondContact O-N 3.15Å; L1793-I1834 HydrophobicContact CD1-CB 4.3Å; L1793-I1834 HydrophobicContact CD1-CD1 3.9Å; L1793-I1834 HydrophobicContact CD1-CG1 3.9Å; L1793-I1834 HydrophobicContact CD1-CG2 3.54Å; L1793-R1851 HydrophobicContact CB-CB 3.9Å; L1793-R1851 HydrophobicContact CD1-CB 4.08Å; L1793-R1851 PolarHBondContact N-O 3.47Å; L1793-Q1853 HydrophobicContact CD1-CB 4.15Å; L1793-Q1853 HydrophobicContact CD2-CB 4.3Å; L1793-Q1853 HydrophobicContact CG-CB 4.19Å |
| 1794 | D | 82.2 | Confident | 73.1 | Confident | 74 Ų | 74 | 53.8 Ų | 53.8 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -18.8 | 179.2 | -59 | -56.6 | 0 | 0 | 0 | 112.2 | N1792 R1851 | N1792-D1794 PolarHBondContact O-N 2.78Å; N1792-D1794 WeakPolarHBondContact OD1-CB 3.18Å; N1792-D1794 PolarHBondContact OD1-N 3.05Å; N1792-D1794 PolarHBondContact OD1-OD2 3.11Å; D1794-R1851 IonicContact OD1-CZ 3.35Å; D1794-R1851 IonicContact OD1-NE 2.74Å; D1794-R1851 PolarHBondContact OD1-NE 2.71Å; D1794-R1851 IonicContact OD1-NH2 3.33Å; D1794-R1851 PolarHBondContact OD1-NH2 2.98Å; D1794-R1851 PolarHBondContact OD2-N 2.88Å |
| 1795 | N | 82 | Confident | 73.6 | Confident | 83 Ų | 83 | 54.1 Ų | 54.1 | 44% | 0.444 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.4 | 8.8 | 177.6 | 69.7 | -12.4 | 0 | 0 | 0 | 115.3 | N1792 Q1797 | N1792-N1795 VanDerWaalsContact CB-OD1 3.3Å; N1792-N1795 WeakPolarHBondContact CB-OD1 3.27Å; N1792-N1795 PolarHBondContact ND2-OD1 2.93Å; N1792-N1795 PolarHBondContact O-N 3.2Å; N1795-Q1797 PolarHBondContact ND2-OE1 3.14Å; N1795-Q1797 PolarHBondContact O-N 3.04Å; N1795-Q1797 VanDerWaalsContact O-N 3.09Å |
| 1796 | N | 81.3 | Confident | 74.6 | Confident | 120 Ų | 120 | 53.8 Ų | 53.8 | 64% | 0.642 | 30% | 0.301 | S | S | * | . | trans | 51.9 | 21.5 | -178.4 | -78.6 | -1.7 | 0 | 0 | 0 | 116.5 | N1792 | N1792-N1796 WeakPolarHBondContact O-CA 3.28Å; N1792-N1796 PolarHBondContact O-N 2.84Å | ||
| 1797 | Q | 81.5 | Confident | 75.7 | Confident | 83 Ų | 83 | 53 Ų | 53 | 39% | 0.388 | 29% | 0.293 | S | S | . | . | trans | -82.8 | 134.9 | 174 | -75 | -173.5 | -33.4 | 0 | 0 | 111.6 | N1792 N1795 F1812 | N1792-Q1797 PolarHBondContact N-O 3.13Å; N1795-Q1797 PolarHBondContact ND2-OE1 3.14Å; N1795-Q1797 PolarHBondContact O-N 3.04Å; N1795-Q1797 VanDerWaalsContact O-N 3.09Å; Q1797-F1812 HydrophobicContact CB-CD1 4.42Å; Q1797-F1812 VanDerWaalsContact O-CD1 3.28Å; Q1797-F1812 WeakPolarHBondContact O-CD1 3.38Å; Q1797-F1812 WeakPolarHBondContact O-CE1 3.48Å | ||
| 1798 | P | 83.4 | Confident | 77 | Confident | 97 Ų | 97 | 47.6 Ų | 47.6 | 63% | 0.63 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 153.4 | 163.9 | 31.8 | -34.2 | 0 | 0 | 0 | 110.5 | ||
| 1799 | G | 83.5 | Confident | 77.5 | Confident | 19 Ų | 19 | 47.6 Ų | 47.6 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174 | -174.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1790 K1811 | A1790-G1799 PolarHBondContact N-O 2.66Å; A1790-G1799 PolarHBondContact O-N 3.23Å; A1790-G1799 VanDerWaalsContact O-O 3.06Å; G1799-K1811 CarbonylContact C-O 3.59Å; G1799-K1811 WeakPolarHBondContact CA-O 3.24Å |
| 1800 | T | 83.4 | Confident | 78.1 | Confident | 29 Ų | 29 | 42 Ų | 42 | 18% | 0.178 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 142.5 | 179 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | I1788 K1811 | I1788-T1800 WeakPolarHBondContact O-CA 3.21Å; T1800-K1811 PolarHBondContact N-O 3.02Å; T1800-K1811 PolarHBondContact O-N 2.86Å |
| 1801 | I | 78.5 | Confident | 78.3 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 103.7 | 170.8 | -47.1 | -170 | 0 | 0 | 0 | 107.3 | E1787 I1788 A1790 V1809 I1810 F1852 L1860 | E1787-I1801 WeakPolarHBondContact CA-O 3.42Å; I1788-I1801 PolarHBondContact N-O 3.14Å; I1788-I1801 PolarHBondContact O-N 3.07Å; A1790-I1801 HydrophobicContact CB-CD1 3.76Å; A1790-I1801 HydrophobicContact CB-CG1 3.9Å; I1801-V1809 CarbonylContact C-O 3.52Å; I1801-V1809 WeakPolarHBondContact CA-O 3.38Å; I1801-I1810 HydrophobicContact CB-CG2 4.35Å; I1801-I1810 HydrophobicContact CD1-CG2 4.47Å; I1801-I1810 HydrophobicContact CG1-CG2 4.05Å; I1801-I1810 HydrophobicContact CG2-CG2 3.97Å; I1801-F1852 HydrophobicContact CD1-CB 4.12Å; I1801-F1852 HydrophobicContact CD1-CD1 3.88Å; I1801-F1852 HydrophobicContact CD1-CD2 4.07Å; I1801-F1852 HydrophobicContact CD1-CE1 4.28Å; I1801-F1852 HydrophobicContact CD1-CE2 4.46Å; I1801-F1852 HydrophobicContact CD1-CG 3.74Å; I1801-L1860 HydrophobicContact CD1-CD1 4.02Å; I1801-L1860 HydrophobicContact CG2-CD2 4.44Å |
| 1802 | S | 74.6 | Confident | 78.3 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 121 | 177.6 | -14.7 | 0 | 0 | 0 | 0 | 110.7 | G1786 E1787 F1808 V1809 | G1786-S1802 WeakPolarHBondContact O-CA 3.41Å; E1787-S1802 PolarHBondContact OE1-OG 2.97Å; S1802-F1808 WeakPolarHBondContact O-CA 3.41Å; S1802-V1809 PolarHBondContact N-O 3.36Å; S1802-V1809 PolarHBondContact O-N 3Å |
| 1803 | I | 70.1 | Confident | 77.8 | Confident | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.082 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128 | -175.1 | -57.9 | 179.6 | 0 | 0 | 0 | 111.6 | N1785 G1786 I1788 F1808 L1860 N1863 L1867 | N1785-I1803 PolarHBondContact O-N 3.47Å; G1786-I1803 PolarHBondContact O-N 3.42Å; G1786-I1803 VanDerWaalsContact O-N 3.13Å; I1788-I1803 HydrophobicContact CD1-CD1 3.95Å; I1803-F1808 HydrophobicContact CG2-CD1 4.45Å; I1803-L1860 HydrophobicContact CD1-CD2 3.93Å; I1803-N1863 HydrophobicContact CD1-CB 4.01Å; I1803-L1867 HydrophobicContact CG2-CD1 3.61Å |
| 1804 | L | 64.2 | Low | 77.3 | Confident | 69 Ų | 69 | 50.6 Ų | 50.6 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 157.5 | -177.9 | -70.8 | 140.3 | 0 | 0 | 0 | 112 | D1806 G1807 V1809 F1818 | L1804-D1806 PolarHBondContact O-N 3Å; L1804-D1806 VanDerWaalsContact O-N 3.1Å; L1804-G1807 CarbonylContact C-O 3.6Å; L1804-G1807 WeakPolarHBondContact CA-O 3.37Å; L1804-G1807 WeakPolarHBondContact CB-O 3.37Å; L1804-G1807 PolarHBondContact N-O 3.45Å; L1804-G1807 PolarHBondContact O-N 3.23Å; L1804-V1809 HydrophobicContact CD1-CB 4.47Å; L1804-V1809 HydrophobicContact CD1-CG2 3.76Å; L1804-F1818 HydrophobicContact CD1-CD2 4.33Å; L1804-F1818 HydrophobicContact CD1-CE2 3.94Å |
| 1805 | P | 55.6 | Low | 76.9 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 23% | 0.234 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -19.9 | -179.2 | -26 | 36 | 0 | 0 | 0 | 115.8 | ||
| 1806 | D | 64 | Low | 77.1 | Confident | 87 Ų | 87 | 56.1 Ų | 56.1 | 47% | 0.465 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -5.4 | -176.2 | -60.2 | -46.6 | 0 | 0 | 0 | 113.3 | N1733 L1804 L1821 | N1733-D1806 PolarHBondContact ND2-OD1 2.97Å; L1804-D1806 PolarHBondContact O-N 3Å; L1804-D1806 VanDerWaalsContact O-N 3.1Å; D1806-L1821 PolarHBondContact O-N 2.88Å; D1806-L1821 VanDerWaalsContact O-N 3.14Å |
| 1807 | G | 72.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | -156.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1804 I1819 | L1804-G1807 CarbonylContact C-O 3.6Å; L1804-G1807 WeakPolarHBondContact CA-O 3.37Å; L1804-G1807 WeakPolarHBondContact CB-O 3.37Å; L1804-G1807 PolarHBondContact N-O 3.45Å; L1804-G1807 PolarHBondContact O-N 3.23Å; G1807-I1819 CarbonylContact C-O 3.58Å; G1807-I1819 WeakPolarHBondContact CA-O 3.17Å |
| 1808 | F | 79.9 | Confident | 77.5 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 135.2 | -170.8 | -38.2 | -90.7 | 0 | 0 | 0 | 108.7 | S1802 I1803 F1818 I1819 L1821 I1824 F1864 L1867 | S1802-F1808 WeakPolarHBondContact O-CA 3.41Å; I1803-F1808 HydrophobicContact CG2-CD1 4.45Å; F1808-F1818 CarbonylContact O-C 3.51Å; F1808-F1818 WeakPolarHBondContact O-CA 3.42Å; F1808-F1818 VanDerWaalsContact O-CD2 3.26Å; F1808-F1818 WeakPolarHBondContact O-CD2 3.44Å; F1808-I1819 HydrophobicContact CD2-CB 4.26Å; F1808-I1819 HydrophobicContact CD2-CG2 4.23Å; F1808-I1819 WeakPolarHBondContact CD2-O 3.49Å; F1808-I1819 PolarHBondContact N-O 3.15Å; F1808-I1819 PolarHBondContact O-N 2.96Å; F1808-L1821 HydrophobicContact CE2-CD2 4.01Å; F1808-L1821 HydrophobicContact CE2-CG 3.88Å; F1808-L1821 HydrophobicContact CZ-CD2 3.71Å; F1808-L1821 HydrophobicContact CZ-CG 3.88Å; F1808-I1824 HydrophobicContact CD2-CD1 3.74Å; F1808-I1824 HydrophobicContact CE2-CD1 3.2Å; F1808-I1824 HydrophobicContact CZ-CD1 4Å; F1808-F1864 HydrophobicContact CD1-CD2 4.34Å; F1808-F1864 HydrophobicContact CD1-CE1 4.44Å; F1808-F1864 AromaticContact CD1-CE2 3.42Å; F1808-F1864 HydrophobicContact CD1-CE2 3.42Å; F1808-F1864 VanDerWaalsContact CD1-CE2 3.42Å; F1808-F1864 AromaticContact CD1-CZ 3.47Å; F1808-F1864 HydrophobicContact CD1-CZ 3.47Å; F1808-F1864 VanDerWaalsContact CD1-CZ 3.47Å; F1808-F1864 HydrophobicContact CD2-CZ 4.09Å; F1808-F1864 HydrophobicContact CE1-CD1 4.37Å; F1808-F1864 AromaticContact CE1-CD2 3.71Å; F1808-F1864 HydrophobicContact CE1-CD2 3.71Å; F1808-F1864 AromaticContact CE1-CE1 3.93Å; F1808-F1864 HydrophobicContact CE1-CE1 3.93Å; F1808-F1864 AromaticContact CE1-CE2 3.18Å; F1808-F1864 HydrophobicContact CE1-CE2 3.18Å; F1808-F1864 HydrophobicContact CE1-CG 4.27Å; F1808-F1864 AromaticContact CE1-CZ 3.29Å; F1808-F1864 HydrophobicContact CE1-CZ 3.29Å; F1808-F1864 HydrophobicContact CE2-CE1 4.15Å; F1808-F1864 HydrophobicContact CE2-CZ 4.01Å; F1808-F1864 HydrophobicContact CG-CE2 4.26Å; F1808-F1864 AromaticContact CG-CZ 3.87Å; F1808-F1864 HydrophobicContact CG-CZ 3.87Å; F1808-F1864 HydrophobicContact CZ-CD1 4.19Å; F1808-F1864 HydrophobicContact CZ-CD2 4.32Å; F1808-F1864 AromaticContact CZ-CE1 3.77Å; F1808-F1864 HydrophobicContact CZ-CE1 3.77Å; F1808-F1864 AromaticContact CZ-CE2 3.91Å; F1808-F1864 HydrophobicContact CZ-CE2 3.91Å; F1808-F1864 HydrophobicContact CZ-CG 4.45Å; F1808-F1864 AromaticContact CZ-CZ 3.59Å; F1808-F1864 HydrophobicContact CZ-CZ 3.59Å; F1808-L1867 HydrophobicContact CE1-CD1 3.68Å; F1808-L1867 HydrophobicContact CZ-CD1 4.13Å |
| 1809 | V | 81.5 | Confident | 77.6 | Confident | 18 Ų | 18 | 50 Ų | 50 | 11% | 0.109 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127.6 | 161 | 169.4 | 0 | 0 | 0 | 0 | 106.8 | I1801 S1802 L1804 Q1816 F1818 | I1801-V1809 CarbonylContact C-O 3.52Å; I1801-V1809 WeakPolarHBondContact CA-O 3.38Å; S1802-V1809 PolarHBondContact N-O 3.36Å; S1802-V1809 PolarHBondContact O-N 3Å; L1804-V1809 HydrophobicContact CD1-CB 4.47Å; L1804-V1809 HydrophobicContact CD1-CG2 3.76Å; V1809-Q1816 HydrophobicContact CG1-CG 3.57Å; V1809-F1818 HydrophobicContact CG2-CD2 3.92Å |
| 1810 | I | 87.3 | Confident | 77.5 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 135.7 | 161 | 41.8 | 171.9 | 0 | 0 | 0 | 108.2 | I1801 F1812 Q1816 K1817 I1819 Y1850 F1852 | I1801-I1810 HydrophobicContact CB-CG2 4.35Å; I1801-I1810 HydrophobicContact CD1-CG2 4.47Å; I1801-I1810 HydrophobicContact CG1-CG2 4.05Å; I1801-I1810 HydrophobicContact CG2-CG2 3.97Å; I1810-F1812 HydrophobicContact CB-CD2 4.24Å; I1810-F1812 HydrophobicContact CB-CE2 3.96Å; I1810-F1812 HydrophobicContact CG2-CE2 4.14Å; I1810-Q1816 WeakPolarHBondContact O-CA 3.36Å; I1810-K1817 HydrophobicContact CG1-CB 4.26Å; I1810-K1817 WeakPolarHBondContact CG1-O 3.37Å; I1810-K1817 PolarHBondContact N-O 2.91Å; I1810-K1817 PolarHBondContact O-N 2.96Å; I1810-I1819 HydrophobicContact CD1-CD1 3.56Å; I1810-I1819 HydrophobicContact CD1-CG1 4.5Å; I1810-I1819 HydrophobicContact CG1-CD1 3.98Å; I1810-Y1850 HydrophobicContact CD1-CD1 3.91Å; I1810-Y1850 HydrophobicContact CD1-CE1 3.75Å; I1810-Y1850 HydrophobicContact CD1-CG 4.47Å; I1810-F1852 HydrophobicContact CD1-CZ 4.39Å; I1810-F1852 HydrophobicContact CG2-CE1 4.14Å; I1810-F1852 HydrophobicContact CG2-CZ 4.08Å |
| 1811 | K | 85.3 | Confident | 77.3 | Confident | 82 Ų | 82 | 53.3 Ų | 53.3 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 112.2 | -178.2 | -168.8 | 169.1 | -173.1 | 161.7 | 0 | 110.2 | G1799 T1800 E1815 Q1816 | G1799-K1811 CarbonylContact C-O 3.59Å; G1799-K1811 WeakPolarHBondContact CA-O 3.24Å; T1800-K1811 PolarHBondContact N-O 3.02Å; T1800-K1811 PolarHBondContact O-N 2.86Å; K1811-E1815 WeakPolarHBondContact CA-O 3.34Å; K1811-Q1816 HydrophobicContact CB-CG 4.32Å; K1811-Q1816 HydrophobicContact CD-CB 4.22Å; K1811-Q1816 HydrophobicContact CD-CG 4.14Å; K1811-Q1816 HydrophobicContact CG-CB 4.07Å; K1811-Q1816 HydrophobicContact CG-CG 4.24Å |
| 1812 | F | 82 | Confident | 77.3 | Confident | 13 Ų | 13 | 58.9 Ų | 58.9 | 6% | 0.057 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 115.8 | -177.5 | -72.6 | -80.2 | 0 | 0 | 0 | 109 | A1790 N1792 Q1797 I1810 D1814 E1815 F1852 | A1790-F1812 WeakPolarHBondContact O-CE1 3.35Å; N1792-F1812 HydrophobicContact CB-CD1 3.67Å; N1792-F1812 HydrophobicContact CB-CD2 4.42Å; N1792-F1812 HydrophobicContact CB-CE1 3.57Å; N1792-F1812 HydrophobicContact CB-CE2 4.34Å; N1792-F1812 HydrophobicContact CB-CG 4.12Å; N1792-F1812 HydrophobicContact CB-CZ 3.94Å; Q1797-F1812 HydrophobicContact CB-CD1 4.42Å; Q1797-F1812 VanDerWaalsContact O-CD1 3.28Å; Q1797-F1812 WeakPolarHBondContact O-CD1 3.38Å; Q1797-F1812 WeakPolarHBondContact O-CE1 3.48Å; I1810-F1812 HydrophobicContact CB-CD2 4.24Å; I1810-F1812 HydrophobicContact CB-CE2 3.96Å; I1810-F1812 HydrophobicContact CG2-CE2 4.14Å; F1812-D1814 PolarHBondContact O-N 3.3Å; F1812-E1815 PolarHBondContact N-O 3.4Å; F1812-E1815 PolarHBondContact O-N 3.26Å; F1812-E1815 VanDerWaalsContact O-N 3.1Å; F1812-F1852 AromaticContact CE2-CD1 3.94Å; F1812-F1852 HydrophobicContact CE2-CD1 3.94Å; F1812-F1852 AromaticContact CE2-CE1 3.61Å; F1812-F1852 HydrophobicContact CE2-CE1 3.61Å; F1812-F1852 AromaticContact CZ-CD1 3.67Å; F1812-F1852 HydrophobicContact CZ-CD1 3.67Å; F1812-F1852 AromaticContact CZ-CE1 3.86Å; F1812-F1852 HydrophobicContact CZ-CE1 3.86Å |
| 1813 | G | 76.1 | Confident | 77.7 | Confident | 43 Ų | 43 | 59.4 Ų | 59.4 | 44% | 0.443 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | -131.4 | -163 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1814 | D | 75 | Confident | 78.3 | Confident | 168 Ų | 168 | 59 Ų | 59 | 90% | 0.898 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -16 | 176.8 | -61.6 | -51.2 | 0 | 0 | 0 | 113.9 | F1812 Q1816 | F1812-D1814 PolarHBondContact O-N 3.3Å; D1814-Q1816 PolarHBondContact O-N 2.86Å |
| 1815 | E | 74 | Confident | 79.1 | Confident | 156 Ų | 156 | 62.2 Ų | 62.2 | 73% | 0.729 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 111.1 | -179.8 | -73.3 | -155.3 | 164 | 0 | 0 | 111.4 | K1811 F1812 | K1811-E1815 WeakPolarHBondContact CA-O 3.34Å; F1812-E1815 PolarHBondContact N-O 3.4Å; F1812-E1815 PolarHBondContact O-N 3.26Å; F1812-E1815 VanDerWaalsContact O-N 3.1Å |
| 1816 | Q | 84.8 | Confident | 80.3 | Confident | 118 Ų | 118 | 69 Ų | 69 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 114.3 | 171 | -171.9 | 175 | -28.1 | 0 | 0 | 110.4 | V1809 I1810 K1811 D1814 | V1809-Q1816 HydrophobicContact CG1-CG 3.57Å; I1810-Q1816 WeakPolarHBondContact O-CA 3.36Å; K1811-Q1816 HydrophobicContact CB-CG 4.32Å; K1811-Q1816 HydrophobicContact CD-CB 4.22Å; K1811-Q1816 HydrophobicContact CD-CG 4.14Å; K1811-Q1816 HydrophobicContact CG-CB 4.07Å; K1811-Q1816 HydrophobicContact CG-CG 4.24Å; D1814-Q1816 PolarHBondContact O-N 2.86Å |
| 1817 | K | 85.2 | Confident | 81.3 | Confident | 70 Ų | 70 | 66 Ų | 66 | 30% | 0.304 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130.5 | -175.9 | -165.1 | 170.4 | -177 | 178.5 | 0 | 111.8 | I1810 D1841 Y1850 | I1810-K1817 HydrophobicContact CG1-CB 4.26Å; I1810-K1817 WeakPolarHBondContact CG1-O 3.37Å; I1810-K1817 PolarHBondContact N-O 2.91Å; I1810-K1817 PolarHBondContact O-N 2.96Å; K1817-D1841 IonicContact NZ-OD2 3.68Å; K1817-D1841 PolarHBondContact NZ-OD2 3.42Å; K1817-Y1850 PolarHBondContact NZ-OH 3.01Å |
| 1818 | F | 86.8 | Confident | 81.8 | Confident | 97 Ų | 97 | 68.6 Ų | 68.6 | 43% | 0.425 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 115.9 | 177.8 | -178.9 | -116.4 | 0 | 0 | 0 | 111.7 | L1804 F1808 V1809 K1820 | L1804-F1818 HydrophobicContact CD1-CD2 4.33Å; L1804-F1818 HydrophobicContact CD1-CE2 3.94Å; F1808-F1818 CarbonylContact O-C 3.51Å; F1808-F1818 WeakPolarHBondContact O-CA 3.42Å; F1808-F1818 VanDerWaalsContact O-CD2 3.26Å; F1808-F1818 WeakPolarHBondContact O-CD2 3.44Å; V1809-F1818 HydrophobicContact CG2-CD2 3.92Å; F1818-K1820 HydrophobicContact CD1-CG 4.13Å; F1818-K1820 HydrophobicContact CE1-CG 3.63Å; F1818-K1820 HydrophobicContact CZ-CG 4.4Å |
| 1819 | I | 86 | Confident | 81.9 | Confident | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 118.1 | 175.6 | -63.6 | 161.4 | 0 | 0 | 0 | 108.7 | G1807 F1808 I1810 I1824 V1839 Y1850 | G1807-I1819 CarbonylContact C-O 3.58Å; G1807-I1819 WeakPolarHBondContact CA-O 3.17Å; F1808-I1819 HydrophobicContact CD2-CB 4.26Å; F1808-I1819 HydrophobicContact CD2-CG2 4.23Å; F1808-I1819 WeakPolarHBondContact CD2-O 3.49Å; F1808-I1819 PolarHBondContact N-O 3.15Å; F1808-I1819 PolarHBondContact O-N 2.96Å; I1810-I1819 HydrophobicContact CD1-CD1 3.56Å; I1810-I1819 HydrophobicContact CD1-CG1 4.5Å; I1810-I1819 HydrophobicContact CG1-CD1 3.98Å; I1819-I1824 HydrophobicContact CG2-CD1 3.83Å; I1819-I1824 HydrophobicContact CG2-CG1 3.76Å; I1819-V1839 HydrophobicContact CD1-CG2 3.99Å; I1819-V1839 HydrophobicContact CG1-CG1 4.36Å; I1819-V1839 HydrophobicContact CG1-CG2 4.5Å; I1819-V1839 HydrophobicContact CG2-CG1 3.74Å; I1819-V1839 HydrophobicContact CG2-CG2 4.11Å; I1819-Y1850 HydrophobicContact CD1-CE2 4.21Å |
| 1820 | K | 81.9 | Confident | 81.7 | Confident | 106 Ų | 106 | 74.1 Ų | 74.1 | 46% | 0.461 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 141 | 171.2 | -66.3 | 179.2 | -174.7 | 173.2 | 0 | 110.5 | F1818 H1822 N1823 | F1818-K1820 HydrophobicContact CD1-CG 4.13Å; F1818-K1820 HydrophobicContact CE1-CG 3.63Å; F1818-K1820 HydrophobicContact CZ-CG 4.4Å; K1820-H1822 VanDerWaalsContact C-N 3.26Å; K1820-H1822 PolarHBondContact O-N 2.89Å; K1820-H1822 VanDerWaalsContact O-N 3.11Å; K1820-N1823 WeakPolarHBondContact O-CB 3.47Å; K1820-N1823 PolarHBondContact O-N 2.98Å |
| 1821 | L | 78.2 | Confident | 81.3 | Confident | 11 Ų | 11 | 82.3 Ų | 82.3 | 6% | 0.058 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -47.6 | -43 | -179.5 | -98.7 | 158 | 0 | 0 | 0 | 114 | D1806 F1808 N1823 I1824 L1867 F1868 | D1806-L1821 PolarHBondContact O-N 2.88Å; D1806-L1821 VanDerWaalsContact O-N 3.14Å; F1808-L1821 HydrophobicContact CE2-CD2 4.01Å; F1808-L1821 HydrophobicContact CE2-CG 3.88Å; F1808-L1821 HydrophobicContact CZ-CD2 3.71Å; F1808-L1821 HydrophobicContact CZ-CG 3.88Å; L1821-N1823 VanDerWaalsContact C-N 3.26Å; L1821-N1823 PolarHBondContact O-N 3.45Å; L1821-I1824 PolarHBondContact O-N 3.34Å; L1821-L1867 HydrophobicContact CD1-CB 4.15Å; L1821-L1867 HydrophobicContact CD1-CD2 4.41Å; L1821-L1867 HydrophobicContact CD2-CB 4.12Å; L1821-F1868 HydrophobicContact CD2-CD2 4.33Å; L1821-F1868 HydrophobicContact CD2-CE2 4.28Å; L1821-F1868 HydrophobicContact CD2-CG 4.5Å; L1821-F1868 HydrophobicContact CD2-CZ 4.4Å |
| 1822 | H | 78.6 | Confident | 80.7 | Confident | 118 Ų | 118 | 81.8 Ų | 81.8 | 55% | 0.546 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -70.7 | -13.5 | -177.5 | 61.3 | -112.2 | 0 | 0 | 0 | 115.5 | K1820 | K1820-H1822 VanDerWaalsContact C-N 3.26Å; K1820-H1822 PolarHBondContact O-N 2.89Å; K1820-H1822 VanDerWaalsContact O-N 3.11Å |
| 1823 | N | 83.7 | Confident | 80.4 | Confident | 25 Ų | 25 | 86.5 Ų | 86.5 | 13% | 0.134 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -81.2 | -22.3 | 174.4 | -77.6 | -7.1 | 0 | 0 | 0 | 111.7 | K1820 L1821 V1839 Y1840 Q1842 | K1820-N1823 WeakPolarHBondContact O-CB 3.47Å; K1820-N1823 PolarHBondContact O-N 2.98Å; L1821-N1823 VanDerWaalsContact C-N 3.26Å; L1821-N1823 PolarHBondContact O-N 3.45Å; N1823-V1839 HydrophobicContact CB-CG1 3.94Å; N1823-Y1840 WeakPolarHBondContact CB-O 3.41Å; N1823-Y1840 PolarHBondContact O-N 3.02Å; N1823-Q1842 PolarHBondContact OD1-NE2 3.43Å |
| 1824 | I | 82.8 | Confident | 80.8 | Confident | 7 Ų | 7 | 86.4 Ų | 86.4 | 4% | 0.036 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 133.6 | 179.2 | -66.2 | 154.5 | 0 | 0 | 0 | 109.9 | F1808 I1819 L1821 R1826 I1837 D1838 V1839 F1864 F1868 | F1808-I1824 HydrophobicContact CD2-CD1 3.74Å; F1808-I1824 HydrophobicContact CE2-CD1 3.2Å; F1808-I1824 HydrophobicContact CZ-CD1 4Å; I1819-I1824 HydrophobicContact CG2-CD1 3.83Å; I1819-I1824 HydrophobicContact CG2-CG1 3.76Å; L1821-I1824 PolarHBondContact O-N 3.34Å; I1824-R1826 WeakPolarHBondContact CG2-O 3.3Å; I1824-I1837 HydrophobicContact CB-CG2 4.33Å; I1824-I1837 HydrophobicContact CD1-CG2 4.1Å; I1824-I1837 HydrophobicContact CG1-CG2 3.73Å; I1824-I1837 HydrophobicContact CG2-CG2 3.64Å; I1824-D1838 CarbonylContact C-O 3.49Å; I1824-D1838 WeakPolarHBondContact CA-O 3.27Å; I1824-V1839 HydrophobicContact CG1-CG2 4.05Å; I1824-F1864 HydrophobicContact CD1-CE1 3.82Å; I1824-F1868 HydrophobicContact CB-CE2 4.33Å; I1824-F1868 HydrophobicContact CB-CZ 3.81Å; I1824-F1868 HydrophobicContact CG2-CE2 3.84Å; I1824-F1868 HydrophobicContact CG2-CZ 3.63Å |
| 1825 | K | 81 | Confident | 81.3 | Confident | 138 Ų | 138 | 78.4 Ų | 78.4 | 60% | 0.6 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | -20.7 | 176.8 | -64.6 | -53.9 | -172.7 | -170.3 | 0 | 113.3 | D1838 M1847 | K1825-D1838 PolarHBondContact N-O 2.96Å; K1825-M1847 HydrophobicContact CB-CE 4.1Å; K1825-M1847 HydrophobicContact CB-SD 3.9Å; K1825-M1847 HydrophobicContact CG-SD 3.76Å |
| 1826 | R | 81 | Confident | 82 | Confident | 177 Ų | 177 | 71.5 Ų | 71.5 | 67% | 0.668 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 150.7 | 178.7 | -132.8 | 173.9 | -170.8 | 151.9 | 4.9 | 110.9 | I1824 I1837 D1838 | I1824-R1826 WeakPolarHBondContact CG2-O 3.3Å; R1826-I1837 WeakPolarHBondContact O-CA 3.4Å; R1826-D1838 HydrophobicContact CB-CB 3.78Å; R1826-D1838 WeakPolarHBondContact CB-OD2 3.49Å; R1826-D1838 PolarHBondContact N-O 2.97Å; R1826-D1838 PolarHBondContact O-N 2.99Å |
| 1827 | C | 84 | Confident | 82.1 | Confident | 26 Ų | 26 | 66 Ų | 66 | 18% | 0.176 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 151.7 | 157.4 | 65.6 | 0 | 0 | 0 | 0 | 109.5 | F1835 T1836 F1864 | C1827-F1835 HydrophobicContact CB-CE2 4.23Å; C1827-F1835 HydrophobicContact CB-CZ 4.2Å; C1827-T1836 CarbonylContact C-O 3.59Å; C1827-T1836 WeakPolarHBondContact CA-O 3.36Å; C1827-F1864 HydrophobicContact CB-CD1 3.98Å |
| 1828 | C | 82.6 | Confident | 82.2 | Confident | 54 Ų | 54 | 64 Ų | 64 | 37% | 0.365 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 163.1 | 176.2 | 60 | 0 | 0 | 0 | 0 | 111.6 | T1836 | C1828-T1836 PolarHBondContact N-O 3.05Å; C1828-T1836 PolarHBondContact O-N 3.29Å |
| 1829 | T | 82.4 | Confident | 82.2 | Confident | 52 Ų | 52 | 59.7 Ų | 59.7 | 32% | 0.319 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 136.7 | 172.5 | 55.1 | 0 | 0 | 0 | 0 | 110.4 | I1834 F1835 T1857 F1861 | T1829-I1834 CarbonylContact C-O 3.07Å; T1829-I1834 WeakPolarHBondContact CA-O 3.5Å; T1829-F1835 HydrophobicContact CG2-CD2 4.28Å; T1829-T1857 HydrophobicContact CG2-CG2 3.56Å; T1829-F1861 HydrophobicContact CG2-CB 3.44Å; T1829-F1861 VanDerWaalsContact CG2-CB 3.44Å; T1829-F1861 HydrophobicContact CG2-CD1 4.41Å; T1829-F1861 HydrophobicContact CG2-CD2 3.99Å; T1829-F1861 HydrophobicContact CG2-CG 3.7Å |
| 1830 | I | 77.8 | Confident | 82.2 | Confident | 84 Ų | 84 | 63.5 Ų | 63.5 | 43% | 0.431 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.7 | 174.5 | -58.3 | 173.1 | 0 | 0 | 0 | 107.5 | S1832 E1833 I1834 | I1830-S1832 PolarHBondContact O-N 2.82Å; I1830-E1833 PolarHBondContact O-N 3.45Å; I1830-I1834 HydrophobicContact CB-CB 4.22Å; I1830-I1834 PolarHBondContact N-O 3.22Å; I1830-I1834 PolarHBondContact O-N 3.17Å; I1830-I1834 VanDerWaalsContact O-N 3.12Å |
| 1831 | K | 78 | Confident | 82.3 | Confident | 179 Ų | 179 | 59.2 Ų | 59.2 | 78% | 0.778 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 12.3 | -176 | -62.7 | -179.6 | 177.9 | 179.4 | 0 | 116.4 | E1833 | K1831-E1833 PolarHBondContact O-N 3.38Š|
| 1832 | S | 72.2 | Confident | 82.3 | Confident | 71 Ų | 71 | 64.2 Ų | 64.2 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 5.2 | -172.2 | -50.1 | 0 | 0 | 0 | 0 | 116.2 | I1830 T1857 | I1830-S1832 PolarHBondContact O-N 2.82Å; S1832-T1857 VanDerWaalsContact O-CB 3.31Å; S1832-T1857 WeakPolarHBondContact O-CB 3.39Å; S1832-T1857 WeakPolarHBondContact O-CG2 3.15Å |
| 1833 | E | 77.3 | Confident | 82.3 | Confident | 112 Ų | 112 | 67.2 Ų | 67.2 | 52% | 0.523 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -22.6 | 179.5 | -66.1 | 167.4 | 173.4 | 0 | 0 | 112.8 | I1830 K1831 T1854 T1857 | I1830-E1833 PolarHBondContact O-N 3.45Å; K1831-E1833 PolarHBondContact O-N 3.38Å; E1833-T1854 PolarHBondContact O-N 3.08Å; E1833-T1854 VanDerWaalsContact O-N 3.12Å; E1833-T1857 VanDerWaalsContact C-OG1 3.27Å; E1833-T1857 PolarHBondContact O-OG1 3.21Å; E1833-T1857 VanDerWaalsContact O-OG1 3.04Å |
| 1834 | I | 83.9 | Confident | 82.2 | Confident | 40 Ų | 40 | 73.1 Ų | 73.1 | 21% | 0.205 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 122.3 | -176.8 | -60.3 | 176 | 0 | 0 | 0 | 109.6 | L1793 T1829 I1830 F1852 | L1793-I1834 HydrophobicContact CD1-CB 4.3Å; L1793-I1834 HydrophobicContact CD1-CD1 3.9Å; L1793-I1834 HydrophobicContact CD1-CG1 3.9Å; L1793-I1834 HydrophobicContact CD1-CG2 3.54Å; T1829-I1834 CarbonylContact C-O 3.07Å; T1829-I1834 WeakPolarHBondContact CA-O 3.5Å; I1830-I1834 HydrophobicContact CB-CB 4.22Å; I1830-I1834 PolarHBondContact N-O 3.22Å; I1830-I1834 PolarHBondContact O-N 3.17Å; I1830-I1834 VanDerWaalsContact O-N 3.12Å; I1834-F1852 CarbonylContact C-O 3.44Å; I1834-F1852 WeakPolarHBondContact CA-O 3.35Å |
| 1835 | F | 85.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131.4 | 172.5 | -173.6 | -121.8 | 0 | 0 | 0 | 110.2 | C1827 T1829 I1837 F1852 T1857 L1860 F1861 F1864 | C1827-F1835 HydrophobicContact CB-CE2 4.23Å; C1827-F1835 HydrophobicContact CB-CZ 4.2Å; T1829-F1835 HydrophobicContact CG2-CD2 4.28Å; F1835-I1837 HydrophobicContact CD1-CD1 4.34Å; F1835-I1837 HydrophobicContact CD1-CG1 4.09Å; F1835-I1837 HydrophobicContact CE1-CD1 3.66Å; F1835-I1837 HydrophobicContact CE1-CG1 3.52Å; F1835-I1837 HydrophobicContact CZ-CD1 4.41Å; F1835-I1837 HydrophobicContact CZ-CG1 3.97Å; F1835-F1852 HydrophobicContact CD1-CD2 4Å; F1835-F1852 PolarHBondContact N-O 2.95Å; F1835-F1852 PolarHBondContact O-N 2.95Å; F1835-T1857 HydrophobicContact CB-CG2 4.13Å; F1835-L1860 HydrophobicContact CD1-CB 4.37Å; F1835-L1860 HydrophobicContact CD1-CD1 4.21Å; F1835-L1860 HydrophobicContact CD1-CD2 4.14Å; F1835-L1860 HydrophobicContact CD1-CG 4.46Å; F1835-L1860 HydrophobicContact CE1-CB 4.49Å; F1835-L1860 HydrophobicContact CE1-CD2 3.77Å; F1835-L1860 HydrophobicContact CG-CB 4.4Å; F1835-L1860 HydrophobicContact CZ-CD2 4.3Å; F1835-F1861 HydrophobicContact CD2-CB 4.22Å; F1835-F1861 HydrophobicContact CE2-CB 3.94Å; F1835-F1861 HydrophobicContact CE2-CD2 4.1Å; F1835-F1864 HydrophobicContact CE1-CD1 4.47Å; F1835-F1864 HydrophobicContact CE1-CD2 4.03Å; F1835-F1864 HydrophobicContact CE1-CE1 4.17Å; F1835-F1864 AromaticContact CE1-CE2 3.71Å; F1835-F1864 HydrophobicContact CE1-CE2 3.71Å; F1835-F1864 HydrophobicContact CE1-CG 4.41Å; F1835-F1864 AromaticContact CE1-CZ 3.8Å; F1835-F1864 HydrophobicContact CE1-CZ 3.8Å; F1835-F1864 HydrophobicContact CE2-CG 4.48Å; F1835-F1864 HydrophobicContact CZ-CB 4.27Å; F1835-F1864 AromaticContact CZ-CD1 3.75Å; F1835-F1864 HydrophobicContact CZ-CD1 3.75Å; F1835-F1864 AromaticContact CZ-CD2 3.58Å; F1835-F1864 HydrophobicContact CZ-CD2 3.58Å; F1835-F1864 AromaticContact CZ-CE1 3.88Å; F1835-F1864 HydrophobicContact CZ-CE1 3.88Å; F1835-F1864 AromaticContact CZ-CE2 3.73Å; F1835-F1864 HydrophobicContact CZ-CE2 3.73Å; F1835-F1864 AromaticContact CZ-CG 3.6Å; F1835-F1864 HydrophobicContact CZ-CG 3.6Å; F1835-F1864 AromaticContact CZ-CZ 3.89Å; F1835-F1864 HydrophobicContact CZ-CZ 3.89Å |
| 1836 | T | 87.2 | Confident | 82.3 | Confident | 12 Ų | 12 | 75.9 Ų | 75.9 | 7% | 0.074 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 136.4 | -177.7 | -55.3 | 0 | 0 | 0 | 0 | 110.4 | C1827 C1828 T1849 Y1850 R1851 | C1827-T1836 CarbonylContact C-O 3.59Å; C1827-T1836 WeakPolarHBondContact CA-O 3.36Å; C1828-T1836 PolarHBondContact N-O 3.05Å; C1828-T1836 PolarHBondContact O-N 3.29Å; T1836-T1849 HydrophobicContact CG2-CG2 3.59Å; T1836-Y1850 WeakPolarHBondContact CA-O 3.02Å; T1836-R1851 HydrophobicContact CG2-CG 3.94Å |
| 1837 | I | 88 | Confident | 82.5 | Confident | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 129.9 | 177.9 | -42.6 | 168.4 | 0 | 0 | 0 | 110.3 | I1824 R1826 F1835 V1839 T1849 Y1850 F1852 F1864 | I1824-I1837 HydrophobicContact CB-CG2 4.33Å; I1824-I1837 HydrophobicContact CD1-CG2 4.1Å; I1824-I1837 HydrophobicContact CG1-CG2 3.73Å; I1824-I1837 HydrophobicContact CG2-CG2 3.64Å; R1826-I1837 WeakPolarHBondContact O-CA 3.4Å; F1835-I1837 HydrophobicContact CD1-CD1 4.34Å; F1835-I1837 HydrophobicContact CD1-CG1 4.09Å; F1835-I1837 HydrophobicContact CE1-CD1 3.66Å; F1835-I1837 HydrophobicContact CE1-CG1 3.52Å; F1835-I1837 HydrophobicContact CZ-CD1 4.41Å; F1835-I1837 HydrophobicContact CZ-CG1 3.97Å; I1837-V1839 HydrophobicContact CB-CG2 4.47Å; I1837-V1839 HydrophobicContact CG2-CG2 3.88Å; I1837-T1849 CarbonylContact O-C 3.58Å; I1837-T1849 WeakPolarHBondContact O-CA 3.41Å; I1837-Y1850 PolarHBondContact N-O 2.67Å; I1837-Y1850 PolarHBondContact O-N 2.98Å; I1837-F1852 HydrophobicContact CD1-CD2 4.39Å; I1837-F1852 HydrophobicContact CD1-CE2 3.54Å; I1837-F1852 HydrophobicContact CD1-CZ 4.28Å; I1837-F1852 HydrophobicContact CG1-CD2 4.49Å; I1837-F1852 HydrophobicContact CG1-CE2 3.87Å; I1837-F1864 HydrophobicContact CD1-CE1 3.71Å; I1837-F1864 HydrophobicContact CD1-CZ 3.48Å; I1837-F1864 VanDerWaalsContact CD1-CZ 3.48Å; I1837-F1864 HydrophobicContact CG1-CE1 3.99Å; I1837-F1864 HydrophobicContact CG1-CZ 4.2Å; I1837-F1864 HydrophobicContact CG2-CE1 4.1Å |
| 1838 | D | 87 | Confident | 82.6 | Confident | 29 Ų | 29 | 72.8 Ų | 72.8 | 16% | 0.155 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 120.9 | 168 | -69.3 | -34.2 | 0 | 0 | 0 | 110.5 | I1824 K1825 R1826 M1847 T1849 | I1824-D1838 CarbonylContact C-O 3.49Å; I1824-D1838 WeakPolarHBondContact CA-O 3.27Å; K1825-D1838 PolarHBondContact N-O 2.96Å; R1826-D1838 HydrophobicContact CB-CB 3.78Å; R1826-D1838 WeakPolarHBondContact CB-OD2 3.49Å; R1826-D1838 PolarHBondContact N-O 2.97Å; R1826-D1838 PolarHBondContact O-N 2.99Å; D1838-M1847 HydrophobicContact CB-CE 3.6Å; D1838-M1847 HydrophobicContact CB-SD 4.37Å; D1838-T1849 WeakPolarHBondContact OD1-CB 3.23Å; D1838-T1849 WeakPolarHBondContact OD1-CG2 3.46Å; D1838-T1849 PolarHBondContact OD1-OG1 3.2Å |
| 1839 | V | 87.6 | Confident | 82.9 | Confident | 6 Ų | 6 | 73.4 Ų | 73.4 | 4% | 0.036 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 126.6 | -176.2 | -170.8 | 0 | 0 | 0 | 0 | 110.8 | I1819 N1823 I1824 I1837 D1841 M1847 I1848 Y1850 | I1819-V1839 HydrophobicContact CD1-CG2 3.99Å; I1819-V1839 HydrophobicContact CG1-CG1 4.36Å; I1819-V1839 HydrophobicContact CG1-CG2 4.5Å; I1819-V1839 HydrophobicContact CG2-CG1 3.74Å; I1819-V1839 HydrophobicContact CG2-CG2 4.11Å; N1823-V1839 HydrophobicContact CB-CG1 3.94Å; I1824-V1839 HydrophobicContact CG1-CG2 4.05Å; I1837-V1839 HydrophobicContact CB-CG2 4.47Å; I1837-V1839 HydrophobicContact CG2-CG2 3.88Å; V1839-D1841 PolarHBondContact O-N 3.49Å; V1839-M1847 CarbonylContact O-C 3.56Å; V1839-M1847 WeakPolarHBondContact O-CA 3.24Å; V1839-I1848 PolarHBondContact N-O 3.1Å; V1839-I1848 PolarHBondContact O-N 3.02Å; V1839-Y1850 HydrophobicContact CB-CD2 4.41Å; V1839-Y1850 HydrophobicContact CB-CE2 3.97Å; V1839-Y1850 HydrophobicContact CG2-CD2 3.77Å; V1839-Y1850 HydrophobicContact CG2-CE2 3.7Å |
| 1840 | Y | 86.2 | Confident | 83.2 | Confident | 86 Ų | 86 | 72.2 Ų | 72.2 | 34% | 0.337 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 108.8 | 167.8 | -170.2 | -101.5 | 0 | 0 | 0 | 110.5 | N1823 Q1842 K1845 M1847 | N1823-Y1840 WeakPolarHBondContact CB-O 3.41Å; N1823-Y1840 PolarHBondContact O-N 3.02Å; Y1840-Q1842 HydrophobicContact CD1-CG 4.46Å; Y1840-K1845 WeakPolarHBondContact CE2-O 3.26Å; Y1840-K1845 WeakPolarHBondContact OH-CA 3.41Å; Y1840-K1845 PolarHBondContact OH-O 3.34Å; Y1840-K1845 VanDerWaalsContact OH-O 3.12Å; Y1840-M1847 HydrophobicContact CD2-CG 4.49Å |
| 1841 | D | 82.2 | Confident | 83.7 | Confident | 16 Ų | 16 | 73.7 Ų | 73.7 | 9% | 0.086 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 117.8 | 176.6 | -168 | -42.4 | 0 | 0 | 0 | 109.7 | K1817 V1839 E1843 K1844 K1845 A1846 I1848 | K1817-D1841 IonicContact NZ-OD2 3.68Å; K1817-D1841 PolarHBondContact NZ-OD2 3.42Å; V1839-D1841 PolarHBondContact O-N 3.49Å; D1841-E1843 VanDerWaalsContact C-N 3.34Å; D1841-E1843 PolarHBondContact O-N 3.39Å; D1841-E1843 PolarHBondContact OD1-N 3.03Å; D1841-K1844 HydrophobicContact CB-CB 4.39Å; D1841-K1844 PolarHBondContact OD1-N 3.09Å; D1841-K1845 VanDerWaalsContact O-CA 3.25Å; D1841-K1845 WeakPolarHBondContact O-CA 3.42Å; D1841-K1845 PolarHBondContact O-N 3.14Å; D1841-A1846 PolarHBondContact N-O 2.67Å; D1841-A1846 PolarHBondContact O-N 2.86Å; D1841-I1848 HydrophobicContact CB-CD1 3.55Å; D1841-I1848 HydrophobicContact CB-CG1 3.99Å; D1841-I1848 WeakPolarHBondContact OD2-CD1 3.06Å |
| 1842 | Q | 78.8 | Confident | 84.1 | Confident | 116 Ų | 116 | 65.2 Ų | 65.2 | 54% | 0.542 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -27.7 | -174.3 | -64.6 | -176.6 | 11 | 0 | 0 | 112.9 | N1823 Y1840 | N1823-Q1842 PolarHBondContact OD1-NE2 3.43Å; Y1840-Q1842 HydrophobicContact CD1-CG 4.46Å |
| 1843 | E | 79.2 | Confident | 84.7 | Confident | 180 Ų | 180 | 66.1 Ų | 66.1 | 84% | 0.841 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -45.4 | 179.6 | -62.2 | -173.8 | 156.8 | 0 | 0 | 110.5 | D1841 K1845 | D1841-E1843 VanDerWaalsContact C-N 3.34Å; D1841-E1843 PolarHBondContact O-N 3.39Å; D1841-E1843 PolarHBondContact OD1-N 3.03Å; E1843-K1845 VanDerWaalsContact C-N 3.31Å |
| 1844 | K | 80.5 | Confident | 84.9 | Confident | 149 Ų | 149 | 61.1 Ų | 61.1 | 65% | 0.648 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -10.2 | 177.2 | -57.8 | -169.1 | -175.6 | -179.3 | 0 | 113.4 | D1841 A1846 I1848 | D1841-K1844 HydrophobicContact CB-CB 4.39Å; D1841-K1844 PolarHBondContact OD1-N 3.09Å; K1844-A1846 HydrophobicContact CB-CB 4.37Å; K1844-A1846 PolarHBondContact O-N 3.15Å; K1844-A1846 VanDerWaalsContact O-N 3.15Å; K1844-I1848 HydrophobicContact CD-CD1 4.2Å |
| 1845 | K | 82.4 | Confident | 84.4 | Confident | 162 Ų | 162 | 67.1 Ų | 67.1 | 70% | 0.704 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 26.5 | -173.5 | -65.2 | -176.3 | 177.9 | 176.8 | 0 | 114.4 | Y1840 D1841 E1843 | Y1840-K1845 WeakPolarHBondContact CE2-O 3.26Å; Y1840-K1845 WeakPolarHBondContact OH-CA 3.41Å; Y1840-K1845 PolarHBondContact OH-O 3.34Å; Y1840-K1845 VanDerWaalsContact OH-O 3.12Å; D1841-K1845 VanDerWaalsContact O-CA 3.25Å; D1841-K1845 WeakPolarHBondContact O-CA 3.42Å; D1841-K1845 PolarHBondContact O-N 3.14Å; E1843-K1845 VanDerWaalsContact C-N 3.31Å |
| 1846 | A | 83.9 | Confident | 83.6 | Confident | 42 Ų | 42 | 70.2 Ų | 70.2 | 35% | 0.347 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 156.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1841 K1844 | D1841-A1846 PolarHBondContact N-O 2.67Å; D1841-A1846 PolarHBondContact O-N 2.86Å; K1844-A1846 HydrophobicContact CB-CB 4.37Å; K1844-A1846 PolarHBondContact O-N 3.15Å; K1844-A1846 VanDerWaalsContact O-N 3.15Å |
| 1847 | M | 84.5 | Confident | 83 | Confident | 98 Ų | 98 | 69.6 Ų | 69.6 | 48% | 0.483 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 130.1 | 163.1 | -73.7 | -91.4 | -79.7 | 0 | 0 | 109 | K1825 D1838 V1839 Y1840 | K1825-M1847 HydrophobicContact CB-CE 4.1Å; K1825-M1847 HydrophobicContact CB-SD 3.9Å; K1825-M1847 HydrophobicContact CG-SD 3.76Å; D1838-M1847 HydrophobicContact CB-CE 3.6Å; D1838-M1847 HydrophobicContact CB-SD 4.37Å; V1839-M1847 CarbonylContact O-C 3.56Å; V1839-M1847 WeakPolarHBondContact O-CA 3.24Å; Y1840-M1847 HydrophobicContact CD2-CG 4.49Å |
| 1848 | I | 87.2 | Confident | 81.9 | Confident | 39 Ų | 39 | 73.2 Ų | 73.2 | 20% | 0.2 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 113.3 | 168.6 | -53.4 | -178.9 | 0 | 0 | 0 | 106.4 | V1839 D1841 K1844 Y1850 | V1839-I1848 PolarHBondContact N-O 3.1Å; V1839-I1848 PolarHBondContact O-N 3.02Å; D1841-I1848 HydrophobicContact CB-CD1 3.55Å; D1841-I1848 HydrophobicContact CB-CG1 3.99Å; D1841-I1848 WeakPolarHBondContact OD2-CD1 3.06Å; K1844-I1848 HydrophobicContact CD-CD1 4.2Å; I1848-Y1850 HydrophobicContact CB-CE2 3.92Å; I1848-Y1850 HydrophobicContact CG2-CD2 4.05Å; I1848-Y1850 HydrophobicContact CG2-CE1 4.16Å; I1848-Y1850 HydrophobicContact CG2-CE2 3.57Å |
| 1849 | T | 88.6 | Confident | 80.8 | Confident | 67 Ų | 67 | 73.4 Ų | 73.4 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 134.7 | 165.4 | -52.5 | 0 | 0 | 0 | 0 | 108.2 | T1836 I1837 D1838 R1851 | T1836-T1849 HydrophobicContact CG2-CG2 3.59Å; I1837-T1849 CarbonylContact O-C 3.58Å; I1837-T1849 WeakPolarHBondContact O-CA 3.41Å; D1838-T1849 WeakPolarHBondContact OD1-CB 3.23Å; D1838-T1849 WeakPolarHBondContact OD1-CG2 3.46Å; D1838-T1849 PolarHBondContact OD1-OG1 3.2Å; T1849-R1851 HydrophobicContact CG2-CG 4.35Å |
| 1850 | Y | 87.9 | Confident | 80 | Confident | 27 Ų | 27 | 73.1 Ų | 73.1 | 11% | 0.106 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 137.9 | 167.9 | -57.9 | -101.5 | 0 | 0 | 0 | 108.7 | I1810 K1817 I1819 T1836 I1837 V1839 I1848 F1852 | I1810-Y1850 HydrophobicContact CD1-CD1 3.91Å; I1810-Y1850 HydrophobicContact CD1-CE1 3.75Å; I1810-Y1850 HydrophobicContact CD1-CG 4.47Å; K1817-Y1850 PolarHBondContact NZ-OH 3.01Å; I1819-Y1850 HydrophobicContact CD1-CE2 4.21Å; T1836-Y1850 WeakPolarHBondContact CA-O 3.02Å; I1837-Y1850 PolarHBondContact N-O 2.67Å; I1837-Y1850 PolarHBondContact O-N 2.98Å; V1839-Y1850 HydrophobicContact CB-CD2 4.41Å; V1839-Y1850 HydrophobicContact CB-CE2 3.97Å; V1839-Y1850 HydrophobicContact CG2-CD2 3.77Å; V1839-Y1850 HydrophobicContact CG2-CE2 3.7Å; I1848-Y1850 HydrophobicContact CB-CE2 3.92Å; I1848-Y1850 HydrophobicContact CG2-CD2 4.05Å; I1848-Y1850 HydrophobicContact CG2-CE1 4.16Å; I1848-Y1850 HydrophobicContact CG2-CE2 3.57Å; Y1850-F1852 HydrophobicContact CD1-CZ 4.37Å; Y1850-F1852 HydrophobicContact CG-CZ 4.02Å |
| 1851 | R | 88.3 | Confident | 79.5 | Confident | 116 Ų | 116 | 72.2 Ų | 72.2 | 44% | 0.438 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.6 | 177.3 | -66.8 | 177.4 | -68.1 | 174.3 | 0.5 | 110.7 | N1792 L1793 D1794 T1836 T1849 | N1792-R1851 WeakPolarHBondContact CA-O 3.19Å; N1792-R1851 PolarHBondContact OD1-O 3.09Å; L1793-R1851 HydrophobicContact CB-CB 3.9Å; L1793-R1851 HydrophobicContact CD1-CB 4.08Å; L1793-R1851 PolarHBondContact N-O 3.47Å; D1794-R1851 IonicContact OD1-CZ 3.35Å; D1794-R1851 IonicContact OD1-NE 2.74Å; D1794-R1851 PolarHBondContact OD1-NE 2.71Å; D1794-R1851 IonicContact OD1-NH2 3.33Å; D1794-R1851 PolarHBondContact OD1-NH2 2.98Å; D1794-R1851 PolarHBondContact OD2-N 2.88Å; T1836-R1851 HydrophobicContact CG2-CG 3.94Å; T1849-R1851 HydrophobicContact CG2-CG 4.35Å |
| 1852 | F | 87.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 133 | -176.1 | -45 | -79.8 | 0 | 0 | 0 | 110.3 | A1790 T1791 I1801 I1810 F1812 I1834 F1835 I1837 Y1850 | A1790-F1852 HydrophobicContact CB-CB 4.2Å; T1791-F1852 CarbonylContact O-C 3.6Å; T1791-F1852 VanDerWaalsContact O-CA 3.32Å; T1791-F1852 WeakPolarHBondContact O-CA 3.33Å; I1801-F1852 HydrophobicContact CD1-CB 4.12Å; I1801-F1852 HydrophobicContact CD1-CD1 3.88Å; I1801-F1852 HydrophobicContact CD1-CD2 4.07Å; I1801-F1852 HydrophobicContact CD1-CE1 4.28Å; I1801-F1852 HydrophobicContact CD1-CE2 4.46Å; I1801-F1852 HydrophobicContact CD1-CG 3.74Å; I1810-F1852 HydrophobicContact CD1-CZ 4.39Å; I1810-F1852 HydrophobicContact CG2-CE1 4.14Å; I1810-F1852 HydrophobicContact CG2-CZ 4.08Å; F1812-F1852 AromaticContact CE2-CD1 3.94Å; F1812-F1852 HydrophobicContact CE2-CD1 3.94Å; F1812-F1852 AromaticContact CE2-CE1 3.61Å; F1812-F1852 HydrophobicContact CE2-CE1 3.61Å; F1812-F1852 AromaticContact CZ-CD1 3.67Å; F1812-F1852 HydrophobicContact CZ-CD1 3.67Å; F1812-F1852 AromaticContact CZ-CE1 3.86Å; F1812-F1852 HydrophobicContact CZ-CE1 3.86Å; I1834-F1852 CarbonylContact C-O 3.44Å; I1834-F1852 WeakPolarHBondContact CA-O 3.35Å; F1835-F1852 HydrophobicContact CD1-CD2 4Å; F1835-F1852 PolarHBondContact N-O 2.95Å; F1835-F1852 PolarHBondContact O-N 2.95Å; I1837-F1852 HydrophobicContact CD1-CD2 4.39Å; I1837-F1852 HydrophobicContact CD1-CE2 3.54Å; I1837-F1852 HydrophobicContact CD1-CZ 4.28Å; I1837-F1852 HydrophobicContact CG1-CD2 4.49Å; I1837-F1852 HydrophobicContact CG1-CE2 3.87Å; Y1850-F1852 HydrophobicContact CD1-CZ 4.37Å; Y1850-F1852 HydrophobicContact CG-CZ 4.02Å |
| 1853 | Q | 85.5 | Confident | 78 | Confident | 91 Ų | 91 | 68.6 Ų | 68.6 | 43% | 0.425 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 129.2 | 167.1 | -172.1 | 171.7 | -4.7 | 0 | 0 | 109.3 | A1790 T1791 L1793 | A1790-Q1853 CarbonylContact C-O 3.44Å; A1790-Q1853 WeakPolarHBondContact CA-O 3.48Å; T1791-Q1853 PolarHBondContact N-O 2.94Å; T1791-Q1853 PolarHBondContact O-N 3.37Å; L1793-Q1853 HydrophobicContact CD1-CB 4.15Å; L1793-Q1853 HydrophobicContact CD2-CB 4.3Å; L1793-Q1853 HydrophobicContact CG-CB 4.19Å |
| 1854 | T | 81.3 | Confident | 77.7 | Confident | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | trans | -164.1 | 137.4 | 178.8 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | N1789 A1790 E1833 M1856 T1857 L1860 | N1789-T1854 WeakPolarHBondContact O-CB 3.26Å; N1789-T1854 PolarHBondContact O-OG1 3.27Å; A1790-T1854 HydrophobicContact CB-CG2 4.3Å; E1833-T1854 PolarHBondContact O-N 3.08Å; E1833-T1854 VanDerWaalsContact O-N 3.12Å; T1854-M1856 PolarHBondContact O-N 3.41Å; T1854-M1856 VanDerWaalsContact O-N 3.13Å; T1854-M1856 PolarHBondContact OG1-N 2.87Å; T1854-T1857 WeakPolarHBondContact CG2-OG1 3.43Å; T1854-T1857 VanDerWaalsContact O-CB 3.23Å; T1854-T1857 WeakPolarHBondContact O-CB 3.45Å; T1854-T1857 PolarHBondContact O-N 2.9Å; T1854-T1857 PolarHBondContact O-OG1 2.68Å; T1854-L1860 HydrophobicContact CG2-CD1 3.85Å | ||
| 1855 | D | 72.7 | Confident | 77 | Confident | 166 Ų | 166 | 56.2 Ų | 56.2 | 89% | 0.888 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -31.7 | 177.8 | -22.9 | -23.4 | 0 | 0 | 0 | 111.3 | T1857 | D1855-T1857 VanDerWaalsContact C-N 3.3Å; D1855-T1857 PolarHBondContact O-N 3.3Å |
| 1856 | M | 69.2 | Low | 75.9 | Confident | 65 Ų | 65 | 48.5 Ų | 48.5 | 32% | 0.32 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 14.4 | -179.3 | -65.7 | -67.1 | -85.6 | 0 | 0 | 113.4 | I1788 T1854 T1858 H1859 L1860 | I1788-M1856 HydrophobicContact CG2-CB 3.94Å; T1854-M1856 PolarHBondContact O-N 3.41Å; T1854-M1856 VanDerWaalsContact O-N 3.13Å; T1854-M1856 PolarHBondContact OG1-N 2.87Å; M1856-T1858 VanDerWaalsContact C-N 3.35Å; M1856-T1858 PolarHBondContact O-N 3.45Å; M1856-H1859 HydrophobicContact CB-CB 4.29Å; M1856-H1859 HydrophobicContact CE-CB 4.09Å; M1856-H1859 WeakPolarHBondContact CE-CD2 3.45Å; M1856-H1859 CarbonylContact O-C 3.56Å; M1856-H1859 WeakPolarHBondContact O-CA 3.48Å; M1856-H1859 WeakPolarHBondContact O-CB 3.49Å; M1856-H1859 PolarHBondContact O-N 3Å; M1856-H1859 HydrophobicContact SD-CB 4.48Å; M1856-L1860 PolarHBondContact O-N 2.84Å |
| 1857 | T | 74.9 | Confident | 75 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -50.9 | -46.2 | -174.5 | -81 | 0 | 0 | 0 | 0 | 113.8 | T1829 S1832 E1833 F1835 T1854 D1855 H1859 L1860 F1861 | T1829-T1857 HydrophobicContact CG2-CG2 3.56Å; S1832-T1857 VanDerWaalsContact O-CB 3.31Å; S1832-T1857 WeakPolarHBondContact O-CB 3.39Å; S1832-T1857 WeakPolarHBondContact O-CG2 3.15Å; E1833-T1857 VanDerWaalsContact C-OG1 3.27Å; E1833-T1857 PolarHBondContact O-OG1 3.21Å; E1833-T1857 VanDerWaalsContact O-OG1 3.04Å; F1835-T1857 HydrophobicContact CB-CG2 4.13Å; T1854-T1857 WeakPolarHBondContact CG2-OG1 3.43Å; T1854-T1857 VanDerWaalsContact O-CB 3.23Å; T1854-T1857 WeakPolarHBondContact O-CB 3.45Å; T1854-T1857 PolarHBondContact O-N 2.9Å; T1854-T1857 PolarHBondContact O-OG1 2.68Å; D1855-T1857 VanDerWaalsContact C-N 3.3Å; D1855-T1857 PolarHBondContact O-N 3.3Å; T1857-H1859 VanDerWaalsContact C-N 3.27Å; T1857-H1859 PolarHBondContact O-N 3.41Å; T1857-L1860 PolarHBondContact O-N 3.08Å; T1857-F1861 PolarHBondContact O-N 3.4Å |
| 1858 | T | 65.1 | Low | 74.1 | Confident | 77 Ų | 77 | 44.5 Ų | 44.5 | 47% | 0.472 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.3 | -38.4 | 177.7 | -39.5 | 0 | 0 | 0 | 0 | 111.8 | M1856 Q1862 | M1856-T1858 VanDerWaalsContact C-N 3.35Å; M1856-T1858 PolarHBondContact O-N 3.45Å; T1858-Q1862 WeakPolarHBondContact O-CG 3.44Å; T1858-Q1862 PolarHBondContact O-N 3.44Å |
| 1859 | H | 62.8 | Low | 72.7 | Confident | 33 Ų | 33 | 44.7 Ų | 44.7 | 15% | 0.153 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.5 | -40 | -179.5 | -148.1 | -60.8 | 0 | 0 | 0 | 111.2 | I1726 M1856 T1857 Q1862 N1863 | I1726-H1859 VanDerWaalsContact CG2-CE1 3.45Å; I1726-H1859 WeakPolarHBondContact CG2-CE1 3.41Å; I1726-H1859 VanDerWaalsContact CG2-NE2 3.3Å; I1726-H1859 WeakPolarHBondContact CG2-NE2 3.44Å; I1726-H1859 PolarHBondContact O-CE1 3.24Å; I1726-H1859 PolarHBondContact O-NE2 2.76Å; M1856-H1859 HydrophobicContact CB-CB 4.29Å; M1856-H1859 HydrophobicContact CE-CB 4.09Å; M1856-H1859 WeakPolarHBondContact CE-CD2 3.45Å; M1856-H1859 CarbonylContact O-C 3.56Å; M1856-H1859 WeakPolarHBondContact O-CA 3.48Å; M1856-H1859 WeakPolarHBondContact O-CB 3.49Å; M1856-H1859 PolarHBondContact O-N 3Å; M1856-H1859 HydrophobicContact SD-CB 4.48Å; T1857-H1859 VanDerWaalsContact C-N 3.27Å; T1857-H1859 PolarHBondContact O-N 3.41Å; H1859-Q1862 PolarHBondContact O-N 2.67Å; H1859-N1863 WeakPolarHBondContact O-CB 3.19Å; H1859-N1863 PolarHBondContact O-N 3.25Å; H1859-N1863 PolarHBondContact O-OD1 3.47Å |
| 1860 | L | 71.8 | Confident | 71 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 173.3 | -120.7 | 164.8 | 0 | 0 | 0 | 111.3 | I1788 I1801 I1803 F1835 T1854 M1856 T1857 N1863 F1864 | I1788-L1860 HydrophobicContact CB-CD1 4.32Å; I1788-L1860 HydrophobicContact CD1-CD1 4.13Å; I1788-L1860 HydrophobicContact CD1-CG 3.76Å; I1788-L1860 HydrophobicContact CG2-CD1 3.87Å; I1801-L1860 HydrophobicContact CD1-CD1 4.02Å; I1801-L1860 HydrophobicContact CG2-CD2 4.44Å; I1803-L1860 HydrophobicContact CD1-CD2 3.93Å; F1835-L1860 HydrophobicContact CD1-CB 4.37Å; F1835-L1860 HydrophobicContact CD1-CD1 4.21Å; F1835-L1860 HydrophobicContact CD1-CD2 4.14Å; F1835-L1860 HydrophobicContact CD1-CG 4.46Å; F1835-L1860 HydrophobicContact CE1-CB 4.49Å; F1835-L1860 HydrophobicContact CE1-CD2 3.77Å; F1835-L1860 HydrophobicContact CG-CB 4.4Å; F1835-L1860 HydrophobicContact CZ-CD2 4.3Å; T1854-L1860 HydrophobicContact CG2-CD1 3.85Å; M1856-L1860 PolarHBondContact O-N 2.84Å; T1857-L1860 PolarHBondContact O-N 3.08Å; L1860-N1863 PolarHBondContact O-N 3.05Å; L1860-F1864 HydrophobicContact CD2-CD2 3.93Å; L1860-F1864 HydrophobicContact CD2-CE2 3.67Å; L1860-F1864 WeakPolarHBondContact O-CD2 3.16Å; L1860-F1864 PolarHBondContact O-N 3.2Å |
| 1861 | F | 75.6 | Confident | 69.2 | Low | 66 Ų | 66 | 41.1 Ų | 41.1 | 29% | 0.289 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.3 | -42.7 | 175.7 | -178.7 | -98.9 | 0 | 0 | 0 | 112.4 | T1829 F1835 T1857 N1863 F1864 V1865 | T1829-F1861 HydrophobicContact CG2-CB 3.44Å; T1829-F1861 VanDerWaalsContact CG2-CB 3.44Å; T1829-F1861 HydrophobicContact CG2-CD1 4.41Å; T1829-F1861 HydrophobicContact CG2-CD2 3.99Å; T1829-F1861 HydrophobicContact CG2-CG 3.7Å; F1835-F1861 HydrophobicContact CD2-CB 4.22Å; F1835-F1861 HydrophobicContact CE2-CB 3.94Å; F1835-F1861 HydrophobicContact CE2-CD2 4.1Å; T1857-F1861 PolarHBondContact O-N 3.4Å; F1861-N1863 VanDerWaalsContact C-N 3.32Å; F1861-N1863 PolarHBondContact O-N 3.09Å; F1861-F1864 PolarHBondContact O-N 3.27Å; F1861-V1865 HydrophobicContact CD1-CG2 4.2Å; F1861-V1865 HydrophobicContact CE1-CG2 3.8Å; F1861-V1865 HydrophobicContact CE2-CG2 4.27Å; F1861-V1865 HydrophobicContact CZ-CG2 3.83Å; F1861-V1865 WeakPolarHBondContact O-CG2 3.42Å; F1861-V1865 PolarHBondContact O-N 3.41Å |
| 1862 | Q | 64.1 | Low | 67.3 | Low | 49 Ų | 49 | 37.9 Ų | 37.9 | 23% | 0.229 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 172.6 | -75 | -165.9 | -4 | 0 | 0 | 112.2 | S1747 T1858 H1859 F1864 V1865 S1866 | S1747-Q1862 PolarHBondContact OG-NE2 3.4Å; T1858-Q1862 WeakPolarHBondContact O-CG 3.44Å; T1858-Q1862 PolarHBondContact O-N 3.44Å; H1859-Q1862 PolarHBondContact O-N 2.67Å; Q1862-F1864 PolarHBondContact O-N 3.17Å; Q1862-V1865 PolarHBondContact O-N 3.15Å; Q1862-S1866 WeakPolarHBondContact O-CB 3.4Å; Q1862-S1866 PolarHBondContact O-N 3.06Å |
| 1863 | N | 66.1 | Low | 65 | Low | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.043 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -38.3 | 175.6 | -71.8 | 5 | 0 | 0 | 0 | 112 | N1727 I1803 H1859 L1860 F1861 L1867 | N1727-N1863 WeakPolarHBondContact CB-OD1 3.46Å; N1727-N1863 PolarHBondContact ND2-OD1 3.1Å; I1803-N1863 HydrophobicContact CD1-CB 4.01Å; H1859-N1863 WeakPolarHBondContact O-CB 3.19Å; H1859-N1863 PolarHBondContact O-N 3.25Å; H1859-N1863 PolarHBondContact O-OD1 3.47Å; L1860-N1863 PolarHBondContact O-N 3.05Å; F1861-N1863 VanDerWaalsContact C-N 3.32Å; F1861-N1863 PolarHBondContact O-N 3.09Å; N1863-L1867 WeakPolarHBondContact O-CG 3.48Å; N1863-L1867 PolarHBondContact O-N 3.47Å |
| 1864 | F | 71.1 | Confident | 62.6 | Low | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.9 | -47.4 | 173 | -95 | -120.9 | 0 | 0 | 0 | 112.2 | F1808 I1824 C1827 F1835 I1837 L1860 F1861 Q1862 S1866 L1867 F1868 | F1808-F1864 HydrophobicContact CD1-CD2 4.34Å; F1808-F1864 HydrophobicContact CD1-CE1 4.44Å; F1808-F1864 AromaticContact CD1-CE2 3.42Å; F1808-F1864 HydrophobicContact CD1-CE2 3.42Å; F1808-F1864 VanDerWaalsContact CD1-CE2 3.42Å; F1808-F1864 AromaticContact CD1-CZ 3.47Å; F1808-F1864 HydrophobicContact CD1-CZ 3.47Å; F1808-F1864 VanDerWaalsContact CD1-CZ 3.47Å; F1808-F1864 HydrophobicContact CD2-CZ 4.09Å; F1808-F1864 HydrophobicContact CE1-CD1 4.37Å; F1808-F1864 AromaticContact CE1-CD2 3.71Å; F1808-F1864 HydrophobicContact CE1-CD2 3.71Å; F1808-F1864 AromaticContact CE1-CE1 3.93Å; F1808-F1864 HydrophobicContact CE1-CE1 3.93Å; F1808-F1864 AromaticContact CE1-CE2 3.18Å; F1808-F1864 HydrophobicContact CE1-CE2 3.18Å; F1808-F1864 HydrophobicContact CE1-CG 4.27Å; F1808-F1864 AromaticContact CE1-CZ 3.29Å; F1808-F1864 HydrophobicContact CE1-CZ 3.29Å; F1808-F1864 HydrophobicContact CE2-CE1 4.15Å; F1808-F1864 HydrophobicContact CE2-CZ 4.01Å; F1808-F1864 HydrophobicContact CG-CE2 4.26Å; F1808-F1864 AromaticContact CG-CZ 3.87Å; F1808-F1864 HydrophobicContact CG-CZ 3.87Å; F1808-F1864 HydrophobicContact CZ-CD1 4.19Å; F1808-F1864 HydrophobicContact CZ-CD2 4.32Å; F1808-F1864 AromaticContact CZ-CE1 3.77Å; F1808-F1864 HydrophobicContact CZ-CE1 3.77Å; F1808-F1864 AromaticContact CZ-CE2 3.91Å; F1808-F1864 HydrophobicContact CZ-CE2 3.91Å; F1808-F1864 HydrophobicContact CZ-CG 4.45Å; F1808-F1864 AromaticContact CZ-CZ 3.59Å; F1808-F1864 HydrophobicContact CZ-CZ 3.59Å; I1824-F1864 HydrophobicContact CD1-CE1 3.82Å; C1827-F1864 HydrophobicContact CB-CD1 3.98Å; F1835-F1864 HydrophobicContact CE1-CD1 4.47Å; F1835-F1864 HydrophobicContact CE1-CD2 4.03Å; F1835-F1864 HydrophobicContact CE1-CE1 4.17Å; F1835-F1864 AromaticContact CE1-CE2 3.71Å; F1835-F1864 HydrophobicContact CE1-CE2 3.71Å; F1835-F1864 HydrophobicContact CE1-CG 4.41Å; F1835-F1864 AromaticContact CE1-CZ 3.8Å; F1835-F1864 HydrophobicContact CE1-CZ 3.8Å; F1835-F1864 HydrophobicContact CE2-CG 4.48Å; F1835-F1864 HydrophobicContact CZ-CB 4.27Å; F1835-F1864 AromaticContact CZ-CD1 3.75Å; F1835-F1864 HydrophobicContact CZ-CD1 3.75Å; F1835-F1864 AromaticContact CZ-CD2 3.58Å; F1835-F1864 HydrophobicContact CZ-CD2 3.58Å; F1835-F1864 AromaticContact CZ-CE1 3.88Å; F1835-F1864 HydrophobicContact CZ-CE1 3.88Å; F1835-F1864 AromaticContact CZ-CE2 3.73Å; F1835-F1864 HydrophobicContact CZ-CE2 3.73Å; F1835-F1864 AromaticContact CZ-CG 3.6Å; F1835-F1864 HydrophobicContact CZ-CG 3.6Å; F1835-F1864 AromaticContact CZ-CZ 3.89Å; F1835-F1864 HydrophobicContact CZ-CZ 3.89Å; I1837-F1864 HydrophobicContact CD1-CE1 3.71Å; I1837-F1864 HydrophobicContact CD1-CZ 3.48Å; I1837-F1864 VanDerWaalsContact CD1-CZ 3.48Å; I1837-F1864 HydrophobicContact CG1-CE1 3.99Å; I1837-F1864 HydrophobicContact CG1-CZ 4.2Å; I1837-F1864 HydrophobicContact CG2-CE1 4.1Å; L1860-F1864 HydrophobicContact CD2-CD2 3.93Å; L1860-F1864 HydrophobicContact CD2-CE2 3.67Å; L1860-F1864 WeakPolarHBondContact O-CD2 3.16Å; L1860-F1864 PolarHBondContact O-N 3.2Å; F1861-F1864 PolarHBondContact O-N 3.27Å; Q1862-F1864 PolarHBondContact O-N 3.17Å; F1864-S1866 VanDerWaalsContact C-N 3.31Å; F1864-S1866 PolarHBondContact O-N 3.14Å; F1864-L1867 PolarHBondContact O-N 3.28Å; F1864-F1868 HydrophobicContact CD1-CE2 4.35Å; F1864-F1868 WeakPolarHBondContact O-CB 3.5Å; F1864-F1868 WeakPolarHBondContact O-CD2 3.43Å; F1864-F1868 PolarHBondContact O-N 3.13Å |
| 1865 | V | 66.4 | Low | 60 | Low | 68 Ų | 68 | 41.7 Ų | 41.7 | 41% | 0.412 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.4 | -40.3 | 177 | 172.6 | 0 | 0 | 0 | 0 | 111 | F1861 Q1862 F1868 S1869 | F1861-V1865 HydrophobicContact CD1-CG2 4.2Å; F1861-V1865 HydrophobicContact CE1-CG2 3.8Å; F1861-V1865 HydrophobicContact CE2-CG2 4.27Å; F1861-V1865 HydrophobicContact CZ-CG2 3.83Å; F1861-V1865 WeakPolarHBondContact O-CG2 3.42Å; F1861-V1865 PolarHBondContact O-N 3.41Å; Q1862-V1865 PolarHBondContact O-N 3.15Å; V1865-F1868 PolarHBondContact O-N 2.9Å; V1865-S1869 WeakPolarHBondContact O-CB 3.48Å; V1865-S1869 PolarHBondContact O-N 3.16Å; V1865-S1869 PolarHBondContact O-OG 3.49Å |
| 1866 | S | 60.2 | Low | 57.9 | Low | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.2 | -56.9 | 172.1 | 177.5 | 0 | 0 | 0 | 0 | 111 | C1738 Q1862 F1864 F1868 S1869 M1870 | C1738-S1866 PolarHBondContact SG-OG 3.3Å; Q1862-S1866 WeakPolarHBondContact O-CB 3.4Å; Q1862-S1866 PolarHBondContact O-N 3.06Å; F1864-S1866 VanDerWaalsContact C-N 3.31Å; F1864-S1866 PolarHBondContact O-N 3.14Å; S1866-F1868 VanDerWaalsContact C-N 3.32Å; S1866-F1868 PolarHBondContact O-N 3.49Å; S1866-S1869 PolarHBondContact O-N 3.27Å; S1866-S1869 VanDerWaalsContact O-N 3.1Å; S1866-S1869 PolarHBondContact O-OG 3.04Å; S1866-M1870 WeakPolarHBondContact O-CG 3.43Å; S1866-M1870 PolarHBondContact O-N 2.78Å |
| 1867 | L | 64.1 | Low | 55.9 | Low | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.4 | -37.7 | 179.5 | -75.6 | 168.1 | 0 | 0 | 0 | 113.2 | I1803 F1808 L1821 N1863 F1864 M1870 S1871 | I1803-L1867 HydrophobicContact CG2-CD1 3.61Å; F1808-L1867 HydrophobicContact CE1-CD1 3.68Å; F1808-L1867 HydrophobicContact CZ-CD1 4.13Å; L1821-L1867 HydrophobicContact CD1-CB 4.15Å; L1821-L1867 HydrophobicContact CD1-CD2 4.41Å; L1821-L1867 HydrophobicContact CD2-CB 4.12Å; N1863-L1867 WeakPolarHBondContact O-CG 3.48Å; N1863-L1867 PolarHBondContact O-N 3.47Å; F1864-L1867 PolarHBondContact O-N 3.28Å; L1867-M1870 PolarHBondContact O-N 3.13Å; L1867-S1871 PolarHBondContact O-N 3.31Å; L1867-S1871 VanDerWaalsContact O-N 3.12Å |
| 1868 | F | 65.7 | Low | 53.5 | Low | 53 Ų | 53 | 46.3 Ų | 46.3 | 23% | 0.232 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65 | -43.2 | 174.1 | -94.9 | -70.5 | 0 | 0 | 0 | 112 | L1821 I1824 F1864 V1865 S1866 M1870 S1871 S1872 | L1821-F1868 HydrophobicContact CD2-CD2 4.33Å; L1821-F1868 HydrophobicContact CD2-CE2 4.28Å; L1821-F1868 HydrophobicContact CD2-CG 4.5Å; L1821-F1868 HydrophobicContact CD2-CZ 4.4Å; I1824-F1868 HydrophobicContact CB-CE2 4.33Å; I1824-F1868 HydrophobicContact CB-CZ 3.81Å; I1824-F1868 HydrophobicContact CG2-CE2 3.84Å; I1824-F1868 HydrophobicContact CG2-CZ 3.63Å; F1864-F1868 HydrophobicContact CD1-CE2 4.35Å; F1864-F1868 WeakPolarHBondContact O-CB 3.5Å; F1864-F1868 WeakPolarHBondContact O-CD2 3.43Å; F1864-F1868 PolarHBondContact O-N 3.13Å; V1865-F1868 PolarHBondContact O-N 2.9Å; S1866-F1868 VanDerWaalsContact C-N 3.32Å; S1866-F1868 PolarHBondContact O-N 3.49Å; F1868-M1870 VanDerWaalsContact C-N 3.31Å; F1868-M1870 PolarHBondContact O-N 3.03Å; F1868-S1871 WeakPolarHBondContact O-CA 3.24Å; F1868-S1871 WeakPolarHBondContact O-CB 3.07Å; F1868-S1871 PolarHBondContact O-N 3.23Å; F1868-S1871 PolarHBondContact O-OG 2.95Å; F1868-S1872 PolarHBondContact O-N 3.2Å; F1868-S1872 PolarHBondContact O-OG 2.9Å |
| 1869 | S | 58.5 | Low | 51.4 | Low | 44 Ų | 44 | 47.8 Ų | 47.8 | 31% | 0.308 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65 | -33.7 | 176.9 | 76.8 | 0 | 0 | 0 | 0 | 112.9 | V1865 S1866 S1871 S1872 S1873 | V1865-S1869 WeakPolarHBondContact O-CB 3.48Å; V1865-S1869 PolarHBondContact O-N 3.16Å; V1865-S1869 PolarHBondContact O-OG 3.49Å; S1866-S1869 PolarHBondContact O-N 3.27Å; S1866-S1869 VanDerWaalsContact O-N 3.1Å; S1866-S1869 PolarHBondContact O-OG 3.04Å; S1869-S1871 PolarHBondContact O-N 3.13Å; S1869-S1872 PolarHBondContact O-OG 3.45Å; S1869-S1873 PolarHBondContact O-OG 3.23Å |
| 1870 | M | 51.8 | Low | 49.6 | Very low | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.6 | -16 | 169.7 | -61.3 | 178.4 | 103 | 0 | 0 | 113.4 | R1731 I1736 C1738 S1866 L1867 F1868 S1873 | R1731-M1870 HydrophobicContact CB-CE 3.68Å; R1731-M1870 HydrophobicContact CB-SD 4.37Å; R1731-M1870 PolarHBondContact NH1-O 2.87Å; I1736-M1870 HydrophobicContact CB-CE 3.76Å; I1736-M1870 HydrophobicContact CG2-CE 3.71Å; I1736-M1870 WeakPolarHBondContact O-CE 3.49Å; C1738-M1870 HydrophobicContact CB-CE 4.27Å; C1738-M1870 HydrophobicContact CB-SD 4.48Å; S1866-M1870 WeakPolarHBondContact O-CG 3.43Å; S1866-M1870 PolarHBondContact O-N 2.78Å; L1867-M1870 PolarHBondContact O-N 3.13Å; F1868-M1870 VanDerWaalsContact C-N 3.31Å; F1868-M1870 PolarHBondContact O-N 3.03Å; M1870-S1873 PolarHBondContact O-OG 3.14Å |
| 1871 | S | 51.3 | Low | 48.5 | Very low | 16 Ų | 16 | 60.3 Ų | 60.3 | 11% | 0.112 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -94 | -43.5 | -180 | 81.3 | 0 | 0 | 0 | 0 | 113.2 | L1867 F1868 S1869 S1873 S1874 | L1867-S1871 PolarHBondContact O-N 3.31Å; L1867-S1871 VanDerWaalsContact O-N 3.12Å; F1868-S1871 WeakPolarHBondContact O-CA 3.24Å; F1868-S1871 WeakPolarHBondContact O-CB 3.07Å; F1868-S1871 PolarHBondContact O-N 3.23Å; F1868-S1871 PolarHBondContact O-OG 2.95Å; S1869-S1871 PolarHBondContact O-N 3.13Å; S1871-S1873 VanDerWaalsContact C-N 3.29Å; S1871-S1873 PolarHBondContact O-N 3.13Å; S1871-S1874 PolarHBondContact O-N 3.46Å; S1871-S1874 PolarHBondContact O-OG 3.35Å |
| 1872 | S | 47.6 | Very low | 47 | Very low | 49 Ų | 49 | 60 Ų | 60 | 34% | 0.343 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.2 | -31.5 | 179.6 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | F1868 S1869 S1874 S1875 | F1868-S1872 PolarHBondContact O-N 3.2Å; F1868-S1872 PolarHBondContact O-OG 2.9Å; S1869-S1872 PolarHBondContact O-OG 3.45Å; S1872-S1874 PolarHBondContact O-N 3.33Å; S1872-S1874 VanDerWaalsContact O-N 3.12Å; S1872-S1875 CarbonylContact O-C 3.53Å; S1872-S1875 PolarHBondContact O-N 2.94Å |
| 1873 | S | 39.2 | Very low | 46.1 | Very low | 65 Ų | 65 | 60.6 Ų | 60.6 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -14.9 | 169.7 | 42.7 | 0 | 0 | 0 | 0 | 114.4 | S1869 M1870 S1871 | S1869-S1873 PolarHBondContact O-OG 3.23Å; M1870-S1873 PolarHBondContact O-OG 3.14Å; S1871-S1873 VanDerWaalsContact C-N 3.29Å; S1871-S1873 PolarHBondContact O-N 3.13Å |
| 1874 | S | 34.6 | Very low | 44.9 | Very low | 68 Ų | 68 | 63.7 Ų | 63.7 | 48% | 0.476 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -2.9 | 172.4 | 53.6 | 0 | 0 | 0 | 0 | 115.1 | R1731 S1871 S1872 | R1731-S1874 PolarHBondContact NH1-OG 3.19Å; S1871-S1874 PolarHBondContact O-N 3.46Å; S1871-S1874 PolarHBondContact O-OG 3.35Å; S1872-S1874 PolarHBondContact O-N 3.33Å; S1872-S1874 VanDerWaalsContact O-N 3.12Å |
| 1875 | S | 27.6 | Very low | 43.3 | Very low | 43 Ų | 43 | 67.7 Ų | 67.7 | 30% | 0.301 | 43% | 0.425 | S | S | . | . | trans | -154.9 | 109.9 | 178.6 | 57.2 | 0 | 0 | 0 | 0 | 111.9 | S1872 S1877 | S1872-S1875 CarbonylContact O-C 3.53Å; S1872-S1875 PolarHBondContact O-N 2.94Å; S1875-S1877 PolarHBondContact O-N 3.42Å | ||
| 1876 | S | 28.6 | Very low | 41.7 | Very low | 138 Ų | 138 | 67.7 Ų | 67.7 | 97% | 0.965 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | 39.2 | -175.8 | 61.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1877 | S | 25.8 | Very low | 40.4 | Very low | 96 Ų | 96 | 72.5 Ų | 72.5 | 67% | 0.671 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.3 | 4.5 | -170.1 | 54.3 | 0 | 0 | 0 | 0 | 114.3 | S1875 | S1875-S1877 PolarHBondContact O-N 3.42Š|
| 1878 | I | 24.7 | Very low | 38.6 | Very low | 95 Ų | 95 | 77.8 Ų | 77.8 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | trans | -120 | 84.9 | 173.9 | -52.4 | -178.7 | 0 | 0 | 0 | 109.1 | ||||
| 1879 | S | 22 | Very low | 36.3 | Very low | 108 Ų | 108 | 79.9 Ų | 79.9 | 76% | 0.755 | 51% | 0.512 | S | S | * | . | trans | -133 | 74.9 | 167.2 | 62.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1880 | N | 24.4 | Very low | 34.3 | Very low | 235 Ų | 235 | 83.2 Ų | 83.2 | 100% | 1.257 | 53% | 0.53 | S | S | * | . | trans | -165 | 0 | 169.4 | -92.4 | -27 | 0 | 0 | 0 | 107.8 |
Retrieved 1,880 of 1,880 residues in 2772 ms
(Link to these results)