| 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 | 25.6 | Very low | 69.2 | Low | 125 Ų | 125 | 51.6 Ų | 51.6 | 62% | 0.616 | 31% | 0.309 | S | S | * | . | 0 | 129.5 | 0 | -75.5 | -170.3 | 179.1 | 0 | 0 | 107.9 | S1502 D1503 | M1-S1502 VanDerWaalsContact SD-O 3.38Å; M1-D1503 HydrophobicContact CG-CB 4.04Å; M1-D1503 PolarHBondContact N-O 3.13Å | |||
| 2 | C | 30.6 | Very low | 71.5 | Confident | 123 Ų | 123 | 47.3 Ų | 47.3 | 83% | 0.831 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 143.3 | 171.6 | -49.9 | 0 | 0 | 0 | 0 | 109.4 | A4 | C2-A4 PolarHBondContact O-N 3.2Å; C2-A4 VanDerWaalsContact O-N 3.14Å |
| 3 | S | 41 | Very low | 73.4 | Confident | 106 Ų | 106 | 45.4 Ų | 45.4 | 74% | 0.741 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 117 | 156.2 | 49.2 | 0 | 0 | 0 | 0 | 107.4 | E5 | S3-E5 PolarHBondContact O-N 3.45Š|
| 4 | A | 53.4 | Low | 74.9 | Confident | 60 Ų | 60 | 42.1 Ų | 42.1 | 50% | 0.496 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 117.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109 | C2 K220 | C2-A4 PolarHBondContact O-N 3.2Å; C2-A4 VanDerWaalsContact O-N 3.14Å; A4-K220 HydrophobicContact CB-CB 4.06Å; A4-K220 HydrophobicContact CB-CG 4.25Å |
| 5 | E | 70.3 | Confident | 76.1 | Confident | 78 Ų | 78 | 39.3 Ų | 39.3 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -64 | 143.5 | -171.7 | -63.2 | -157.7 | 84.9 | 0 | 0 | 110.6 | S3 R177 L221 | S3-E5 PolarHBondContact O-N 3.45Å; E5-R177 IonicContact OE1-CZ 3.9Å; E5-R177 IonicContact OE1-NH1 3.02Å; E5-R177 PolarHBondContact OE1-NH1 2.88Å; E5-R177 IonicContact OE1-NH2 2.66Å; E5-L221 HydrophobicContact CB-CB 4.23Å; E5-L221 HydrophobicContact CB-CD2 4.29Å; E5-L221 WeakPolarHBondContact O-CB 3.37Å; E5-L221 PolarHBondContact O-N 3.16Å |
| 6 | Q | 81.1 | Confident | 77 | Confident | 65 Ų | 65 | 37.2 Ų | 37.2 | 30% | 0.304 | 22% | 0.223 | S | C | . | . | B | Isolated β-bridge | trans | -71.3 | 135.7 | 171.4 | -67.4 | 170.3 | -92.1 | 0 | 0 | 108.5 | I8 L216 | Q6-I8 VanDerWaalsContact C-N 3.3Å; Q6-L216 PolarHBondContact NE2-O 3.12Å |
| 7 | V | 86.5 | Confident | 77.7 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -70.5 | -32.6 | 179 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | S176 F180 T219 L221 V228 F230 | V7-S176 WeakPolarHBondContact O-CB 3.36Å; V7-S176 PolarHBondContact O-OG 3.47Å; V7-F180 HydrophobicContact CG1-CD2 3.48Å; V7-F180 VanDerWaalsContact CG1-CD2 3.48Å; V7-F180 HydrophobicContact CG1-CE2 3.66Å; V7-F180 HydrophobicContact CG2-CE2 4.44Å; V7-T219 HydrophobicContact CB-CG2 4.18Å; V7-T219 HydrophobicContact CG2-CG2 4.05Å; V7-L221 HydrophobicContact CG2-CB 4.32Å; V7-L221 HydrophobicContact CG2-CD1 4.27Å; V7-V228 HydrophobicContact CG2-CG2 4.24Å; V7-F230 HydrophobicContact CG1-CE1 3.83Å; V7-F230 HydrophobicContact CG1-CZ 4.07Å |
| 8 | I | 90.6 | Very high | 78.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -112.1 | 132.6 | 177 | -59.2 | -55.1 | 0 | 0 | 0 | 108.8 | Q6 Y10 L174 L184 M215 L216 | Q6-I8 VanDerWaalsContact C-N 3.3Å; I8-Y10 VanDerWaalsContact CG2-C 3.5Å; I8-Y10 WeakPolarHBondContact CG2-O 3.47Å; I8-L174 HydrophobicContact CD1-CB 4.32Å; I8-L174 HydrophobicContact CD1-CD1 4.13Å; I8-L174 HydrophobicContact CD1-CD2 4.2Å; I8-L174 HydrophobicContact CD1-CG 4.46Å; I8-L174 HydrophobicContact CG1-CD2 4.22Å; I8-L174 HydrophobicContact CG2-CD2 3.77Å; I8-L184 HydrophobicContact CD1-CD1 3.71Å; I8-L184 HydrophobicContact CD1-CD2 3.81Å; I8-L184 HydrophobicContact CD1-CG 4.41Å; I8-M215 HydrophobicContact CD1-CE 4.09Å; I8-M215 HydrophobicContact CG1-CE 3.78Å; I8-M215 HydrophobicContact CG1-CG 4.13Å; I8-L216 HydrophobicContact CB-CD2 4.15Å; I8-L216 HydrophobicContact CG2-CD2 3.57Å | ||
| 9 | D | 91 | Very high | 78.3 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -86.9 | -37.9 | 174 | -63.9 | -76.9 | 0 | 0 | 0 | 111 | P53 C59 L175 S176 R177 | D9-P53 WeakPolarHBondContact O-CD 3.48Å; D9-C59 HydrophobicContact CB-CB 4.25Å; D9-L175 PolarHBondContact N-O 2.96Å; D9-S176 WeakPolarHBondContact OD2-CA 3.06Å; D9-R177 IonicContact OD1-CZ 3.25Å; D9-R177 VanDerWaalsContact OD1-CZ 3.26Å; D9-R177 IonicContact OD1-NE 2.86Å; D9-R177 PolarHBondContact OD1-NE 3.18Å; D9-R177 IonicContact OD1-NH2 3.6Å; D9-R177 PolarHBondContact OD1-NH2 3.2Å; D9-R177 WeakPolarHBondContact OD2-CG 3.33Å; D9-R177 IonicContact OD2-CZ 3.92Å; D9-R177 PolarHBondContact OD2-N 3.15Å; D9-R177 IonicContact OD2-NE 3.28Å; D9-R177 PolarHBondContact OD2-NE 2.85Å; D9-R177 IonicContact OD2-NH2 3.42Å |
| 10 | Y | 94.9 | Very high | 78.4 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 150.2 | 173.4 | -62.5 | -88 | 0 | 0 | 0 | 113.7 | I8 F52 P53 S56 C59 F61 L174 L175 | I8-Y10 VanDerWaalsContact CG2-C 3.5Å; I8-Y10 WeakPolarHBondContact CG2-O 3.47Å; Y10-F52 CarbonylContact C-O 3.53Å; Y10-F52 WeakPolarHBondContact CA-O 3.38Å; Y10-P53 HydrophobicContact CD1-CG 4.21Å; Y10-P53 VanDerWaalsContact CD1-O 3.26Å; Y10-P53 WeakPolarHBondContact CD1-O 3.17Å; Y10-P53 HydrophobicContact CE1-CG 4.15Å; Y10-P53 VanDerWaalsContact CE1-O 3.26Å; Y10-P53 WeakPolarHBondContact CE1-O 3.27Å; Y10-S56 WeakPolarHBondContact OH-CB 3.35Å; Y10-S56 PolarHBondContact OH-N 3.39Å; Y10-C59 HydrophobicContact CE2-CB 4.39Å; Y10-C59 WeakPolarHBondContact CE2-O 3.45Å; Y10-C59 VanDerWaalsContact CZ-O 3.3Å; Y10-C59 PolarHBondContact OH-O 2.88Å; Y10-F61 HydrophobicContact CD1-CB 4.45Å; Y10-F61 AromaticContact CD1-CD2 3.85Å; Y10-F61 HydrophobicContact CD1-CD2 3.85Å; Y10-F61 HydrophobicContact CD1-CG 4.42Å; Y10-F61 AromaticContact CD2-CD2 3.8Å; Y10-F61 HydrophobicContact CD2-CD2 3.8Å; Y10-F61 HydrophobicContact CE1-CB 3.88Å; Y10-F61 HydrophobicContact CE1-CD2 4.14Å; Y10-F61 HydrophobicContact CE1-CG 4.32Å; Y10-F61 HydrophobicContact CE2-CB 4.09Å; Y10-F61 HydrophobicContact CE2-CD2 4.09Å; Y10-F61 AromaticContact CG-CD2 3.68Å; Y10-F61 HydrophobicContact CG-CD2 3.68Å; Y10-F61 HydrophobicContact CG-CE2 4.23Å; Y10-F61 PolarHBondContact OH-N 3.5Å; Y10-L174 CarbonylContact O-C 3.49Å; Y10-L174 WeakPolarHBondContact O-CA 3.12Å; Y10-L175 HydrophobicContact CD2-CB 4.46Å; Y10-L175 HydrophobicContact CD2-CD1 4.21Å; Y10-L175 PolarHBondContact N-O 3.06Å; Y10-L175 PolarHBondContact O-N 3.18Å |
| 11 | F | 96.3 | Very high | 78.3 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 141.2 | 156 | 171.7 | -94.6 | 0 | 0 | 0 | 109 | V13 H51 F52 I172 G173 L174 L188 L191 I212 L216 | F11-V13 HydrophobicContact CE1-CG2 3.97Å; F11-V13 HydrophobicContact CZ-CG2 4.32Å; F11-H51 CarbonylContact O-C 3.59Å; F11-H51 WeakPolarHBondContact O-CA 3.4Å; F11-F52 HydrophobicContact CD1-CD2 4.2Å; F11-F52 PolarHBondContact N-O 3.17Å; F11-F52 PolarHBondContact O-N 2.91Å; F11-I172 HydrophobicContact CE2-CB 4.25Å; F11-I172 HydrophobicContact CZ-CB 4.2Å; F11-I172 HydrophobicContact CZ-CG2 4.35Å; F11-G173 CarbonylContact C-O 3.55Å; F11-G173 WeakPolarHBondContact CA-O 3.47Å; F11-G173 WeakPolarHBondContact CD2-O 3.5Å; F11-L174 HydrophobicContact CB-CD2 4.08Å; F11-L174 HydrophobicContact CD2-CD2 3.89Å; F11-L174 HydrophobicContact CG-CD2 4.49Å; F11-L188 HydrophobicContact CE2-CD2 4.19Å; F11-L191 HydrophobicContact CE2-CD2 3.6Å; F11-L191 HydrophobicContact CZ-CD2 3.89Å; F11-I212 HydrophobicContact CB-CG2 4.23Å; F11-I212 HydrophobicContact CD1-CD1 4.15Å; F11-I212 HydrophobicContact CD1-CG1 4.45Å; F11-I212 HydrophobicContact CD1-CG2 3.92Å; F11-I212 HydrophobicContact CE1-CD1 3.67Å; F11-I212 HydrophobicContact CE1-CG1 4.33Å; F11-I212 HydrophobicContact CG-CG2 4.07Å; F11-I212 HydrophobicContact CZ-CD1 3.88Å; F11-I212 HydrophobicContact CZ-CG1 4.38Å; F11-L216 HydrophobicContact CB-CD1 4.37Å; F11-L216 HydrophobicContact CB-CD2 4.31Å |
| 12 | Y | 96.7 | Very high | 80.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 162.1 | -177.3 | 67.6 | -87.9 | 0 | 0 | 0 | 113.1 | C14 Q50 F61 T66 T70 F96 L109 I172 G173 L175 | Y12-C14 WeakPolarHBondContact CD2-SG 3.46Å; Y12-Q50 WeakPolarHBondContact CA-O 3.19Å; Y12-F61 HydrophobicContact CG-CZ 4.43Å; Y12-T66 HydrophobicContact CD1-CG2 4.37Å; Y12-T66 HydrophobicContact CD2-CG2 4.03Å; Y12-T66 HydrophobicContact CE1-CG2 4.23Å; Y12-T66 HydrophobicContact CE2-CG2 3.89Å; Y12-T66 HydrophobicContact CG-CG2 4.29Å; Y12-T70 HydrophobicContact CE2-CG2 4.3Å; Y12-F96 WeakPolarHBondContact OH-CE1 3.46Å; Y12-F96 VanDerWaalsContact OH-CZ 3.28Å; Y12-F96 WeakPolarHBondContact OH-CZ 3.49Å; Y12-L109 PolarHBondContact OH-O 3Å; Y12-L109 VanDerWaalsContact OH-O 3.07Å; Y12-I172 CarbonylContact O-C 3.57Å; Y12-I172 WeakPolarHBondContact O-CA 3.26Å; Y12-G173 PolarHBondContact N-O 3.04Å; Y12-G173 PolarHBondContact O-N 3.41Å; Y12-L175 HydrophobicContact CD1-CD2 4.42Å; Y12-L175 HydrophobicContact CD1-CG 4.02Å; Y12-L175 HydrophobicContact CE1-CD2 3.79Å; Y12-L175 HydrophobicContact CE1-CG 3.86Å |
| 13 | V | 96.1 | Very high | 83.2 | Confident | 22 Ų | 22 | 35.5 Ų | 35.5 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125.5 | 177.8 | -173.6 | 0 | 0 | 0 | 0 | 109 | F11 V48 L49 Q50 A171 I172 | F11-V13 HydrophobicContact CE1-CG2 3.97Å; F11-V13 HydrophobicContact CZ-CG2 4.32Å; V13-V48 CarbonylContact O-C 3.51Å; V13-V48 WeakPolarHBondContact O-CA 3.35Å; V13-L49 HydrophobicContact CG1-CD1 4.42Å; V13-L49 PolarHBondContact O-N 2.8Å; V13-Q50 PolarHBondContact N-O 3.42Å; V13-A171 CarbonylContact C-O 3.58Å; V13-A171 WeakPolarHBondContact CA-O 3.33Å; V13-I172 HydrophobicContact CG1-CG2 4.44Å; V13-I172 HydrophobicContact CG2-CG2 4.32Å |
| 14 | C | 95.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 148.4 | 178.4 | -67.2 | 0 | 0 | 0 | 0 | 112 | Y12 H47 T70 M71 K170 A171 | Y12-C14 WeakPolarHBondContact CD2-SG 3.46Å; C14-H47 CarbonylContact C-O 3.6Å; C14-H47 VanDerWaalsContact CA-O 3.29Å; C14-H47 WeakPolarHBondContact CA-O 3.38Å; C14-T70 HydrophobicContact CB-CG2 3.93Å; C14-M71 HydrophobicContact CB-CE 4.49Å; C14-K170 WeakPolarHBondContact O-CA 3.28Å; C14-K170 VanDerWaalsContact O-CG 3.26Å; C14-K170 WeakPolarHBondContact O-CG 3.35Å; C14-A171 HydrophobicContact CB-CB 4.34Å; C14-A171 PolarHBondContact N-O 3.15Å; C14-A171 PolarHBondContact O-N 2.88Å |
| 15 | G | 93 | Very high | 85.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.5 | -143.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | C46 H47 | G15-C46 PolarHBondContact N-SG 3.13Å; G15-C46 PolarHBondContact O-SG 2.88Å; G15-H47 PolarHBondContact N-O 2.82Å; G15-H47 PolarHBondContact O-N 3.35Å |
| 16 | V | 89.9 | Confident | 84.9 | Confident | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.03 | 19% | 0.191 | C | C | . | . | trans | -85.8 | 124.4 | 174.9 | 171.8 | 0 | 0 | 0 | 0 | 110.1 | Y18 L49 L75 F122 T168 | V16-Y18 HydrophobicContact CB-CE1 4.45Å; V16-Y18 HydrophobicContact CG1-CD1 3.78Å; V16-Y18 HydrophobicContact CG1-CE1 3.77Å; V16-Y18 HydrophobicContact CG1-CG 4.21Å; V16-Y18 PolarHBondContact O-N 3.1Å; V16-L49 VanDerWaalsContact O-CD2 3.31Å; V16-L49 WeakPolarHBondContact O-CD2 3.5Å; V16-L75 HydrophobicContact CG2-CD1 3.61Å; V16-L75 HydrophobicContact CG2-CD2 3.66Å; V16-L75 HydrophobicContact CG2-CG 4.33Å; V16-F122 HydrophobicContact CG1-CD2 4.05Å; V16-F122 HydrophobicContact CG1-CE2 3.36Å; V16-F122 HydrophobicContact CG1-CZ 3.88Å; V16-F122 HydrophobicContact CG2-CE2 4.41Å; V16-F122 HydrophobicContact CG2-CZ 4.13Å; V16-T168 HydrophobicContact CG2-CG2 4.31Å; V16-T168 VanDerWaalsContact CG2-OG1 3.23Å; V16-T168 WeakPolarHBondContact CG2-OG1 3.39Å | ||
| 17 | D | 89.3 | Confident | 83.3 | Confident | 41 Ų | 41 | 34.5 Ų | 34.5 | 22% | 0.219 | 22% | 0.216 | C | C | . | . | trans | -85.6 | 104.2 | 161.6 | -174.1 | -10.3 | 0 | 0 | 0 | 109.5 | G19 V20 G21 H47 L49 | D17-G19 PolarHBondContact O-N 3.4Å; D17-G19 WeakPolarHBondContact OD1-CA 3.18Å; D17-G19 PolarHBondContact OD1-N 3.23Å; D17-V20 HydrophobicContact CB-CB 4.21Å; D17-V20 HydrophobicContact CB-CG2 4.21Å; D17-V20 PolarHBondContact O-N 3.02Å; D17-V20 WeakPolarHBondContact OD2-CG2 3.31Å; D17-G21 PolarHBondContact O-N 3.44Å; D17-H47 HydrophobicContact CB-CB 4.31Å; D17-L49 HydrophobicContact CB-CD2 4.32Å | ||
| 18 | Y | 85 | Confident | 81.3 | Confident | 68 Ų | 68 | 36.9 Ų | 36.9 | 27% | 0.267 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -15.9 | 177.7 | -62.3 | -71.7 | 0 | 0 | 0 | 113.8 | V16 V117 H119 F122 | V16-Y18 HydrophobicContact CB-CE1 4.45Å; V16-Y18 HydrophobicContact CG1-CD1 3.78Å; V16-Y18 HydrophobicContact CG1-CE1 3.77Å; V16-Y18 HydrophobicContact CG1-CG 4.21Å; V16-Y18 PolarHBondContact O-N 3.1Å; Y18-V117 HydrophobicContact CE1-CG1 4.07Å; Y18-H119 HydrophobicContact CD1-CB 3.7Å; Y18-H119 HydrophobicContact CE1-CB 3.87Å; Y18-H119 HydrophobicContact CG-CB 4.18Å; Y18-F122 HydrophobicContact CD1-CB 4.02Å; Y18-F122 AromaticContact CD1-CD2 3.72Å; Y18-F122 HydrophobicContact CD1-CD2 3.72Å; Y18-F122 HydrophobicContact CD1-CE2 4.35Å; Y18-F122 HydrophobicContact CD1-CG 4.02Å; Y18-F122 HydrophobicContact CE1-CB 4.18Å; Y18-F122 HydrophobicContact CE1-CD1 4.47Å; Y18-F122 AromaticContact CE1-CD2 3.94Å; Y18-F122 HydrophobicContact CE1-CD2 3.94Å; Y18-F122 HydrophobicContact CE1-CE2 4.35Å; Y18-F122 AromaticContact CE1-CG 3.97Å; Y18-F122 HydrophobicContact CE1-CG 3.97Å |
| 19 | G | 81.8 | Confident | 78.8 | Confident | 73 Ų | 73 | 46.4 Ų | 46.4 | 75% | 0.753 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -26.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D17 | D17-G19 PolarHBondContact O-N 3.4Å; D17-G19 WeakPolarHBondContact OD1-CA 3.18Å; D17-G19 PolarHBondContact OD1-N 3.23Å |
| 20 | V | 80.5 | Confident | 76.5 | Confident | 49 Ų | 49 | 55 Ų | 55 | 30% | 0.297 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -40 | 173 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | D17 E23 | D17-V20 HydrophobicContact CB-CB 4.21Å; D17-V20 HydrophobicContact CB-CG2 4.21Å; D17-V20 PolarHBondContact O-N 3.02Å; D17-V20 WeakPolarHBondContact OD2-CG2 3.31Å; V20-E23 HydrophobicContact CG1-CG 3.99Å |
| 21 | G | 75.7 | Confident | 73.9 | Confident | 31 Ų | 31 | 65 Ų | 65 | 32% | 0.32 | 36% | 0.361 | S | S | . | . | trans | 92.9 | -139.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | D17 | D17-G21 PolarHBondContact O-N 3.44Š| ||
| 22 | L | 78.5 | Confident | 71.3 | Confident | 46 Ų | 46 | 71 Ų | 71 | 24% | 0.241 | 39% | 0.393 | C | S | . | . | trans | -107.2 | 82.6 | -169.4 | -72.5 | 178.6 | 0 | 0 | 0 | 112.8 | Y44 I77 F122 A125 V126 L129 | L22-Y44 HydrophobicContact CB-CD1 3.93Å; L22-Y44 HydrophobicContact CB-CE1 3.86Å; L22-Y44 HydrophobicContact CD1-CE1 4.33Å; L22-Y44 HydrophobicContact CD2-CD1 3.76Å; L22-Y44 HydrophobicContact CD2-CE1 3.93Å; L22-Y44 HydrophobicContact CD2-CG 4.08Å; L22-Y44 HydrophobicContact CG-CD1 4.39Å; L22-Y44 HydrophobicContact CG-CE1 4.27Å; L22-I77 HydrophobicContact CD2-CD1 3.44Å; L22-I77 VanDerWaalsContact CD2-CD1 3.44Å; L22-F122 HydrophobicContact CD1-CE2 4.48Å; L22-F122 HydrophobicContact CD2-CD2 4.43Å; L22-F122 HydrophobicContact CD2-CE1 4.42Å; L22-F122 HydrophobicContact CD2-CE2 3.42Å; L22-F122 VanDerWaalsContact CD2-CE2 3.42Å; L22-F122 HydrophobicContact CD2-CZ 3.46Å; L22-F122 VanDerWaalsContact CD2-CZ 3.46Å; L22-F122 HydrophobicContact CG-CD2 4.44Å; L22-F122 HydrophobicContact CG-CE2 3.85Å; L22-F122 HydrophobicContact CG-CZ 4.23Å; L22-A125 HydrophobicContact CD1-CB 4.37Å; L22-V126 HydrophobicContact CD1-CG2 3.8Å; L22-L129 HydrophobicContact CD1-CD1 3.66Å | ||
| 23 | E | 80.4 | Confident | 68.9 | Low | 90 Ų | 90 | 75.7 Ų | 75.7 | 42% | 0.421 | 42% | 0.421 | S | S | . | . | trans | -81.1 | 136.2 | 169.7 | -63.1 | -164.2 | 161.7 | 0 | 0 | 111.8 | V20 Y44 K45 | V20-E23 HydrophobicContact CG1-CG 3.99Å; E23-Y44 CarbonylContact O-C 3.51Å; E23-Y44 WeakPolarHBondContact O-CA 3.48Å; E23-Y44 WeakPolarHBondContact O-CB 3.43Å; E23-Y44 WeakPolarHBondContact O-CD1 3.35Å; E23-K45 HydrophobicContact CB-CB 3.93Å; E23-K45 PolarHBondContact O-N 2.92Å; E23-K45 WeakPolarHBondContact OE2-CD 3.48Å | ||
| 24 | S | 72.2 | Confident | 66.6 | Low | 56 Ų | 56 | 75.4 Ų | 75.4 | 39% | 0.392 | 42% | 0.42 | S | S | . | . | B | Isolated β-bridge | trans | -70.3 | 138.7 | 173.4 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | N26 | S24-N26 PolarHBondContact O-N 2.74Å |
| 25 | F | 67.1 | Low | 64.6 | Low | 21 Ų | 21 | 80.4 Ų | 80.4 | 9% | 0.092 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -65.9 | -22.6 | -178.1 | -172.7 | -106.9 | 0 | 0 | 0 | 114.2 | P43 L68 P72 G74 V332 | F25-P43 HydrophobicContact CB-CB 3.9Å; F25-P43 HydrophobicContact CB-CG 4.07Å; F25-P43 WeakPolarHBondContact CB-O 3.44Å; F25-P43 HydrophobicContact CG-CB 4.36Å; F25-P43 PolarHBondContact N-O 3.29Å; F25-P43 VanDerWaalsContact N-O 3.15Å; F25-L68 HydrophobicContact CE2-CD1 4.02Å; F25-L68 HydrophobicContact CZ-CD1 3.84Å; F25-P72 WeakPolarHBondContact CZ-O 3.5Å; F25-G74 VanDerWaalsContact CE2-N 3.29Å; F25-V332 HydrophobicContact CE1-CB 4.31Å |
| 26 | N | 61.5 | Low | 62.8 | Low | 92 Ų | 92 | 85.9 Ų | 85.9 | 49% | 0.492 | 48% | 0.476 | S | S | . | . | trans | -91.8 | 111.1 | -176.3 | -72.6 | -1.6 | 0 | 0 | 0 | 112.3 | S24 | S24-N26 PolarHBondContact O-N 2.74Š| ||
| 27 | S | 47.9 | Very low | 61.7 | Low | 119 Ų | 119 | 88.8 Ų | 88.8 | 83% | 0.832 | 49% | 0.49 | S | S | * | . | trans | -90.2 | -11.2 | 175.4 | 51.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 28 | G | 44.5 | Very low | 60.9 | Low | 51 Ų | 51 | 88.6 Ų | 88.6 | 53% | 0.526 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -77.9 | 160.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | K30 | G28-K30 VanDerWaalsContact C-N 3.27Å; G28-K30 PolarHBondContact O-N 3.22Å |
| 29 | E | 37.8 | Very low | 60.5 | Low | 200 Ų | 200 | 85.5 Ų | 85.5 | 94% | 0.935 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -59.1 | -19.6 | -161.6 | -60.9 | -174 | 104.1 | 0 | 0 | 117.5 | R31 | E29-R31 VanDerWaalsContact C-N 3.33Å; E29-R31 PolarHBondContact O-N 2.95Å |
| 30 | K | 42.8 | Very low | 60.4 | Low | 181 Ų | 181 | 82.3 Ų | 82.3 | 79% | 0.787 | 45% | 0.445 | S | S | * | . | trans | -84.8 | 66.4 | -176.2 | -67.7 | -177.1 | -179.4 | 174.5 | 0 | 112.7 | G28 D32 V33 | G28-K30 VanDerWaalsContact C-N 3.27Å; G28-K30 PolarHBondContact O-N 3.22Å; K30-D32 VanDerWaalsContact C-N 3.26Å; K30-D32 PolarHBondContact O-N 2.72Å; K30-V33 HydrophobicContact CB-CG2 4.48Å | ||
| 31 | R | 40.1 | Very low | 60 | Low | 212 Ų | 212 | 83.4 Ų | 83.4 | 80% | 0.8 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -59.2 | -31.8 | 179.6 | -75.7 | -176.3 | 171.4 | 151.3 | 1.7 | 114.3 | E29 V33 | E29-R31 VanDerWaalsContact C-N 3.33Å; E29-R31 PolarHBondContact O-N 2.95Å; R31-V33 PolarHBondContact O-N 2.88Å |
| 32 | D | 40.6 | Very low | 60 | Low | 134 Ų | 134 | 83.2 Ų | 83.2 | 72% | 0.717 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -67.5 | -31 | -169.4 | -56.7 | -29.8 | 0 | 0 | 0 | 113.8 | K30 C34 L35 | K30-D32 VanDerWaalsContact C-N 3.26Å; K30-D32 PolarHBondContact O-N 2.72Å; D32-C34 VanDerWaalsContact C-N 3.27Å; D32-C34 PolarHBondContact O-N 3.35Å; D32-L35 PolarHBondContact O-N 3.23Å |
| 33 | V | 47 | Very low | 60.1 | Low | 98 Ų | 98 | 82.5 Ų | 82.5 | 59% | 0.594 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -71.7 | -18.5 | -172.9 | -172.8 | 0 | 0 | 0 | 0 | 113.1 | K30 R31 | K30-V33 HydrophobicContact CB-CG2 4.48Å; R31-V33 PolarHBondContact O-N 2.88Å |
| 34 | C | 48.5 | Very low | 60.3 | Low | 17 Ų | 17 | 78.4 Ų | 78.4 | 12% | 0.115 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -85.8 | -14.5 | -175.3 | -157.8 | 0 | 0 | 0 | 0 | 113.6 | D32 R42 | D32-C34 VanDerWaalsContact C-N 3.27Å; D32-C34 PolarHBondContact O-N 3.35Å; C34-R42 PolarHBondContact O-NE 3.13Å; C34-R42 PolarHBondContact O-NH2 3.38Å; C34-R42 PolarHBondContact SG-NE 3.08Å |
| 35 | L | 51.6 | Low | 61 | Low | 105 Ų | 105 | 79 Ų | 79 | 55% | 0.55 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -30.5 | -177.9 | -69.1 | 176.2 | 0 | 0 | 0 | 113 | D32 I37 Y133 | D32-L35 PolarHBondContact O-N 3.23Å; L35-I37 PolarHBondContact O-N 2.82Å; L35-Y133 WeakPolarHBondContact O-CD2 3.19Å; L35-Y133 VanDerWaalsContact O-CE2 3.32Å; L35-Y133 WeakPolarHBondContact O-CE2 3.3Å |
| 36 | D | 55.8 | Low | 62.1 | Low | 115 Ų | 115 | 78.3 Ų | 78.3 | 62% | 0.615 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -15.4 | 177 | -64.8 | -37.6 | 0 | 0 | 0 | 113.7 | Y133 | D36-Y133 WeakPolarHBondContact O-CE2 3.47Å; D36-Y133 PolarHBondContact O-OH 2.96Å |
| 37 | I | 67.3 | Low | 63.6 | Low | 66 Ų | 66 | 75.2 Ų | 75.2 | 34% | 0.338 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -90.3 | 125.9 | -178.1 | -55.2 | 177.9 | 0 | 0 | 0 | 110.1 | L35 K41 R42 | L35-I37 PolarHBondContact O-N 2.82Å; I37-K41 HydrophobicContact CG2-CB 3.85Å; I37-K41 WeakPolarHBondContact CG2-O 3.23Å; I37-R42 PolarHBondContact O-NH2 3.18Å; I37-R42 VanDerWaalsContact O-NH2 3.14Å |
| 38 | P | 72.7 | Confident | 65.9 | Low | 37 Ų | 37 | 69.9 Ų | 69.9 | 24% | 0.24 | 35% | 0.353 | C | S | . | . | trans | -54.8 | 144.3 | 176.4 | -24.6 | 31.5 | 0 | 0 | 0 | 112.7 | L40 K41 R42 Y133 | P38-L40 VanDerWaalsContact C-N 3.3Å; P38-L40 PolarHBondContact O-N 2.85Å; P38-L40 VanDerWaalsContact O-N 3.13Å; P38-K41 CarbonylContact O-C 3.49Å; P38-K41 WeakPolarHBondContact O-CA 3.28Å; P38-K41 PolarHBondContact O-N 3.34Å; P38-R42 PolarHBondContact O-N 3.4Å; P38-Y133 HydrophobicContact CB-CD1 4.48Å; P38-Y133 HydrophobicContact CB-CE1 3.96Å; P38-Y133 WeakPolarHBondContact CD-OH 3.45Å; P38-Y133 HydrophobicContact CG-CE1 3.81Å; P38-Y133 WeakPolarHBondContact CG-OH 3.27Å | ||
| 39 | P | 77.1 | Confident | 68.2 | Low | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.019 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -54.5 | -34.8 | -177.4 | -30.2 | 36.3 | 0 | 0 | 0 | 115.8 | K41 R42 Y44 L129 Q130 | P39-K41 PolarHBondContact O-N 2.82Å; P39-R42 PolarHBondContact O-N 2.85Å; P39-Y44 WeakPolarHBondContact O-CE2 3.26Å; P39-Y44 PolarHBondContact O-OH 3.43Å; P39-L129 HydrophobicContact CB-CB 4.08Å; P39-L129 HydrophobicContact CG-CB 3.82Å; P39-Q130 HydrophobicContact CB-CG 4.17Å; P39-Q130 HydrophobicContact CG-CG 3.99Å |
| 40 | L | 78.9 | Confident | 70.8 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -79.2 | 3.9 | 175.9 | -60.3 | -179.7 | 0 | 0 | 0 | 114.2 | P38 I77 V126 Q130 F159 L166 | P38-L40 VanDerWaalsContact C-N 3.3Å; P38-L40 PolarHBondContact O-N 2.85Å; P38-L40 VanDerWaalsContact O-N 3.13Å; L40-I77 CarbonylContact C-O 3.53Å; L40-I77 WeakPolarHBondContact CA-O 3.34Å; L40-I77 HydrophobicContact CD2-CB 4.34Å; L40-I77 HydrophobicContact CD2-CG2 3.86Å; L40-I77 WeakPolarHBondContact CD2-O 3.32Å; L40-V126 HydrophobicContact CD2-CG1 3.91Å; L40-Q130 VanDerWaalsContact CD1-NE2 3.32Å; L40-F159 HydrophobicContact CD1-CB 4.38Å; L40-L166 HydrophobicContact CD2-CD1 3.96Å |
| 41 | K | 71.9 | Confident | 73.3 | Confident | 73 Ų | 73 | 59.3 Ų | 59.3 | 32% | 0.317 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -122.7 | 2.9 | 173.4 | -60.6 | -172.1 | -178.2 | -179.9 | 0 | 112.2 | I37 P38 P39 E157 | I37-K41 HydrophobicContact CG2-CB 3.85Å; I37-K41 WeakPolarHBondContact CG2-O 3.23Å; P38-K41 CarbonylContact O-C 3.49Å; P38-K41 WeakPolarHBondContact O-CA 3.28Å; P38-K41 PolarHBondContact O-N 3.34Å; P39-K41 PolarHBondContact O-N 2.82Å; K41-E157 VanDerWaalsContact CE-OE1 3.28Å; K41-E157 WeakPolarHBondContact CE-OE1 3.47Å; K41-E157 WeakPolarHBondContact CE-OE2 3.48Å; K41-E157 VanDerWaalsContact NZ-CD 3.31Å; K41-E157 IonicContact NZ-OE1 3.91Å; K41-E157 PolarHBondContact NZ-OE1 2.7Å; K41-E157 IonicContact NZ-OE2 3.66Å; K41-E157 PolarHBondContact NZ-OE2 2.99Å |
| 42 | R | 76.5 | Confident | 75.8 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -87.3 | 133.3 | 175.3 | -176.1 | 174.7 | -65 | 146.4 | 7.7 | 109.3 | C34 I37 P38 P39 Y44 | C34-R42 PolarHBondContact O-NE 3.13Å; C34-R42 PolarHBondContact O-NH2 3.38Å; C34-R42 PolarHBondContact SG-NE 3.08Å; I37-R42 PolarHBondContact O-NH2 3.18Å; I37-R42 VanDerWaalsContact O-NH2 3.14Å; P38-R42 PolarHBondContact O-N 3.4Å; P39-R42 PolarHBondContact O-N 2.85Å; R42-Y44 HydrophobicContact CB-CE2 3.99Å; R42-Y44 HydrophobicContact CG-CE2 4.34Å; R42-Y44 WeakPolarHBondContact O-CD2 3.4Å; R42-Y44 WeakPolarHBondContact O-CE2 3.47Å |
| 43 | P | 79.1 | Confident | 78.3 | Confident | 30 Ų | 30 | 48 Ų | 48 | 20% | 0.195 | 25% | 0.246 | C | C | . | . | trans | -77.9 | 139.3 | 169.5 | 30.7 | -33.2 | 0 | 0 | 0 | 111.2 | F25 Q73 | F25-P43 HydrophobicContact CB-CB 3.9Å; F25-P43 HydrophobicContact CB-CG 4.07Å; F25-P43 WeakPolarHBondContact CB-O 3.44Å; F25-P43 HydrophobicContact CG-CB 4.36Å; F25-P43 PolarHBondContact N-O 3.29Å; F25-P43 VanDerWaalsContact N-O 3.15Å; P43-Q73 WeakPolarHBondContact CB-O 3.5Å | ||
| 44 | Y | 86 | Confident | 80 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 2% | 0.02 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -116.9 | 158.2 | 178.5 | -61.7 | -93.9 | 0 | 0 | 0 | 111.7 | L22 E23 P39 R42 C46 G74 L75 I77 L129 | L22-Y44 HydrophobicContact CB-CD1 3.93Å; L22-Y44 HydrophobicContact CB-CE1 3.86Å; L22-Y44 HydrophobicContact CD1-CE1 4.33Å; L22-Y44 HydrophobicContact CD2-CD1 3.76Å; L22-Y44 HydrophobicContact CD2-CE1 3.93Å; L22-Y44 HydrophobicContact CD2-CG 4.08Å; L22-Y44 HydrophobicContact CG-CD1 4.39Å; L22-Y44 HydrophobicContact CG-CE1 4.27Å; E23-Y44 CarbonylContact O-C 3.51Å; E23-Y44 WeakPolarHBondContact O-CA 3.48Å; E23-Y44 WeakPolarHBondContact O-CB 3.43Å; E23-Y44 WeakPolarHBondContact O-CD1 3.35Å; P39-Y44 WeakPolarHBondContact O-CE2 3.26Å; P39-Y44 PolarHBondContact O-OH 3.43Å; R42-Y44 HydrophobicContact CB-CE2 3.99Å; R42-Y44 HydrophobicContact CG-CE2 4.34Å; R42-Y44 WeakPolarHBondContact O-CD2 3.4Å; R42-Y44 WeakPolarHBondContact O-CE2 3.47Å; Y44-C46 PolarHBondContact O-N 2.74Å; Y44-G74 WeakPolarHBondContact O-CA 3.47Å; Y44-L75 PolarHBondContact N-O 3.42Å; Y44-L75 VanDerWaalsContact N-O 3.09Å; Y44-L75 PolarHBondContact O-N 3.41Å; Y44-I77 HydrophobicContact CD2-CD1 3.6Å; Y44-I77 HydrophobicContact CD2-CG1 4.07Å; Y44-I77 HydrophobicContact CE2-CD1 3.63Å; Y44-I77 HydrophobicContact CE2-CG1 4.27Å; Y44-I77 HydrophobicContact CG-CD1 4.22Å; Y44-L129 HydrophobicContact CE1-CD1 4.49Å |
| 45 | K | 86.6 | Confident | 81.7 | Confident | 68 Ų | 68 | 57 Ų | 57 | 30% | 0.296 | 28% | 0.275 | S | S | . | . | trans | -66.8 | 126 | 179.7 | -165.8 | 178 | -176.5 | 177.5 | 0 | 110.9 | E23 E64 L75 | E23-K45 HydrophobicContact CB-CB 3.93Å; E23-K45 PolarHBondContact O-N 2.92Å; E23-K45 WeakPolarHBondContact OE2-CD 3.48Å; K45-E64 WeakPolarHBondContact CE-OE1 3.49Å; K45-E64 IonicContact NZ-OE1 2.87Å; K45-E64 PolarHBondContact NZ-OE1 3.5Å; K45-L75 VanDerWaalsContact O-CD2 3.32Å; K45-L75 WeakPolarHBondContact O-CD2 3.47Å | ||
| 46 | C | 90.2 | Very high | 83 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | trans | -87.7 | 147.2 | 172.9 | -171.3 | 0 | 0 | 0 | 0 | 110.1 | G15 Y44 A67 M71 L75 | G15-C46 PolarHBondContact N-SG 3.13Å; G15-C46 PolarHBondContact O-SG 2.88Å; Y44-C46 PolarHBondContact O-N 2.74Å; C46-A67 WeakPolarHBondContact O-CB 3.4Å; C46-M71 HydrophobicContact CB-CB 4.07Å; C46-M71 HydrophobicContact CB-CG 4.22Å; C46-M71 HydrophobicContact CB-SD 4.01Å; C46-L75 HydrophobicContact CB-CB 4.29Å | ||
| 47 | H | 93.1 | Very high | 83.7 | Confident | 27 Ų | 27 | 48.6 Ų | 48.6 | 13% | 0.125 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 154.1 | 176.9 | -66.4 | -97.3 | 0 | 0 | 0 | 110.7 | C14 G15 D17 L49 | C14-H47 CarbonylContact C-O 3.6Å; C14-H47 VanDerWaalsContact CA-O 3.29Å; C14-H47 WeakPolarHBondContact CA-O 3.38Å; G15-H47 PolarHBondContact N-O 2.82Å; G15-H47 PolarHBondContact O-N 3.35Å; D17-H47 HydrophobicContact CB-CB 4.31Å; H47-L49 PolarHBondContact O-N 3.37Å |
| 48 | V | 95.3 | Very high | 83.8 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 119.9 | 165.6 | -174.7 | 0 | 0 | 0 | 0 | 107 | V13 Q50 H51 F61 E63 T66 A67 | V13-V48 CarbonylContact O-C 3.51Å; V13-V48 WeakPolarHBondContact O-CA 3.35Å; V48-Q50 WeakPolarHBondContact CG1-O 3.26Å; V48-H51 HydrophobicContact CG1-CB 4.33Å; V48-F61 HydrophobicContact CB-CE1 4.41Å; V48-F61 HydrophobicContact CG1-CE1 4.08Å; V48-F61 HydrophobicContact CG1-CZ 4.06Å; V48-F61 HydrophobicContact CG2-CE1 4.05Å; V48-F61 HydrophobicContact CG2-CZ 4.1Å; V48-E63 HydrophobicContact CB-CG 3.5Å; V48-E63 VanDerWaalsContact CB-CG 3.5Å; V48-E63 HydrophobicContact CG1-CG 4.5Å; V48-E63 HydrophobicContact CG2-CB 4.49Å; V48-E63 HydrophobicContact CG2-CG 3.5Å; V48-T66 HydrophobicContact CG2-CG2 4.43Å; V48-A67 HydrophobicContact CG2-CB 4.25Å |
| 49 | L | 93.4 | Very high | 84.1 | Confident | 47 Ų | 47 | 48.5 Ų | 48.5 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -37.3 | -178.4 | -50.6 | -177.7 | 0 | 0 | 0 | 111 | V13 V16 D17 H47 | V13-L49 HydrophobicContact CG1-CD1 4.42Å; V13-L49 PolarHBondContact O-N 2.8Å; V16-L49 VanDerWaalsContact O-CD2 3.31Å; V16-L49 WeakPolarHBondContact O-CD2 3.5Å; D17-L49 HydrophobicContact CB-CD2 4.32Å; H47-L49 PolarHBondContact O-N 3.37Å |
| 50 | Q | 93.3 | Very high | 84.5 | Confident | 116 Ų | 116 | 52 Ų | 52 | 54% | 0.542 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 148.6 | 179 | -61.5 | -175.2 | -6.9 | 0 | 0 | 110.2 | Y12 V13 V48 F52 | Y12-Q50 WeakPolarHBondContact CA-O 3.19Å; V13-Q50 PolarHBondContact N-O 3.42Å; V48-Q50 WeakPolarHBondContact CG1-O 3.26Å; Q50-F52 HydrophobicContact CB-CE2 3.92Å; Q50-F52 HydrophobicContact CB-CZ 4.37Å |
| 51 | H | 94.6 | Very high | 85 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 22% | 0.218 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 153 | 166.8 | 65 | 86.6 | 0 | 0 | 0 | 111.9 | F11 V48 P53 E54 F61 | F11-H51 CarbonylContact O-C 3.59Å; F11-H51 WeakPolarHBondContact O-CA 3.4Å; V48-H51 HydrophobicContact CG1-CB 4.33Å; H51-P53 PolarHBondContact ND1-O 3.49Å; H51-E54 PolarHBondContact CE1-O 3.24Å; H51-F61 HydrophobicContact CB-CD1 4.45Å; H51-F61 HydrophobicContact CB-CE1 3.98Å; H51-F61 HydrophobicContact CB-CE2 4.08Å; H51-F61 HydrophobicContact CB-CZ 3.78Å; H51-F61 AromaticContact CD2-CD1 3.48Å; H51-F61 VanDerWaalsContact CD2-CD1 3.48Å; H51-F61 WeakPolarHBondContact CD2-CD1 3.41Å; H51-F61 AromaticContact CD2-CE1 3.39Å; H51-F61 WeakPolarHBondContact CD2-CE1 3.38Å; H51-F61 AromaticContact CE1-CD1 3.9Å; H51-F61 AromaticContact CG-CD1 3.77Å; H51-F61 AromaticContact CG-CE1 3.68Å; H51-F61 AromaticContact CG-CZ 3.99Å; H51-F61 AromaticContact NE2-CD1 3.59Å; H51-F61 AromaticContact NE2-CE1 4Å |
| 52 | F | 92.8 | Very high | 85.9 | Confident | 86 Ų | 86 | 53.7 Ų | 53.7 | 38% | 0.377 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 129.5 | -175.7 | -61 | -82.7 | 0 | 0 | 0 | 109.9 | Y10 F11 Q50 L216 | Y10-F52 CarbonylContact C-O 3.53Å; Y10-F52 WeakPolarHBondContact CA-O 3.38Å; F11-F52 HydrophobicContact CD1-CD2 4.2Å; F11-F52 PolarHBondContact N-O 3.17Å; F11-F52 PolarHBondContact O-N 2.91Å; Q50-F52 HydrophobicContact CB-CE2 3.92Å; Q50-F52 HydrophobicContact CB-CZ 4.37Å; F52-L216 HydrophobicContact CB-CD1 3.77Å; F52-L216 WeakPolarHBondContact O-CD1 3.45Å |
| 53 | P | 91.9 | Very high | 86.6 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | S | Bend | cis | -63.7 | 168.9 | -8.3 | 31.1 | -37.2 | 0 | 0 | 0 | 112.4 | D9 Y10 H51 Y55 F217 | D9-P53 WeakPolarHBondContact O-CD 3.48Å; Y10-P53 HydrophobicContact CD1-CG 4.21Å; Y10-P53 VanDerWaalsContact CD1-O 3.26Å; Y10-P53 WeakPolarHBondContact CD1-O 3.17Å; Y10-P53 HydrophobicContact CE1-CG 4.15Å; Y10-P53 VanDerWaalsContact CE1-O 3.26Å; Y10-P53 WeakPolarHBondContact CE1-O 3.27Å; H51-P53 PolarHBondContact ND1-O 3.49Å; P53-Y55 PolarHBondContact O-N 3.16Å; P53-F217 HydrophobicContact CB-CZ 4.34Å |
| 54 | E | 84.4 | Confident | 87.1 | Confident | 169 Ų | 169 | 60.1 Ų | 60.1 | 79% | 0.79 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -66.5 | -24 | 170.4 | -65.4 | 172.7 | 171.7 | 0 | 0 | 111.8 | H51 | H51-E54 PolarHBondContact CE1-O 3.24Š|
| 55 | Y | 82.5 | Confident | 87.3 | Confident | 133 Ų | 133 | 62 Ų | 62 | 52% | 0.522 | 31% | 0.308 | S | S | . | . | trans | -155.9 | 128.8 | 178.8 | 178.9 | -103.6 | 0 | 0 | 0 | 112.5 | P53 P57 | P53-Y55 PolarHBondContact O-N 3.16Å; Y55-P57 HydrophobicContact CE1-CB 4.16Å | ||
| 56 | S | 80.5 | Confident | 87.7 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | trans | -111.6 | 131.3 | 165.8 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | Y10 N58 C59 | Y10-S56 WeakPolarHBondContact OH-CB 3.35Å; Y10-S56 PolarHBondContact OH-N 3.39Å; S56-N58 PolarHBondContact O-N 3.43Å; S56-C59 CarbonylContact O-C 3.6Å | ||
| 57 | P | 69.2 | Low | 87.8 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 25% | 0.247 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -70.5 | -30 | -172.2 | 29.2 | -36.8 | 0 | 0 | 0 | 113.8 | Y55 L1511 | Y55-P57 HydrophobicContact CE1-CB 4.16Å; P57-L1511 HydrophobicContact CB-CD1 4.21Å; P57-L1511 VanDerWaalsContact O-CD1 3.31Å; P57-L1511 WeakPolarHBondContact O-CD1 3.34Å |
| 58 | N | 70.6 | Confident | 87.6 | Confident | 98 Ų | 98 | 59.5 Ų | 59.5 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -93.1 | -16.5 | -173.8 | -63.4 | 9.8 | 0 | 0 | 0 | 112.1 | S56 R100 | S56-N58 PolarHBondContact O-N 3.43Å; N58-R100 PolarHBondContact O-NH1 3.3Å |
| 59 | C | 78.6 | Confident | 87.5 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.02 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -139.5 | 103.6 | -180 | -168.6 | 0 | 0 | 0 | 0 | 108.8 | D9 Y10 S56 | D9-C59 HydrophobicContact CB-CB 4.25Å; Y10-C59 HydrophobicContact CE2-CB 4.39Å; Y10-C59 WeakPolarHBondContact CE2-O 3.45Å; Y10-C59 VanDerWaalsContact CZ-O 3.3Å; Y10-C59 PolarHBondContact OH-O 2.88Å; S56-C59 CarbonylContact O-C 3.6Å |
| 60 | P | 84.6 | Confident | 87.5 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | trans | -66 | 148.1 | 171.5 | 29.9 | -33.6 | 0 | 0 | 0 | 109.9 | ||||
| 61 | F | 91.1 | Very high | 87.3 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | trans | -84.2 | 132.6 | 172.2 | -164.4 | -107.1 | 0 | 0 | 0 | 109.6 | Y10 Y12 V48 H51 E63 T66 L175 | Y10-F61 HydrophobicContact CD1-CB 4.45Å; Y10-F61 AromaticContact CD1-CD2 3.85Å; Y10-F61 HydrophobicContact CD1-CD2 3.85Å; Y10-F61 HydrophobicContact CD1-CG 4.42Å; Y10-F61 AromaticContact CD2-CD2 3.8Å; Y10-F61 HydrophobicContact CD2-CD2 3.8Å; Y10-F61 HydrophobicContact CE1-CB 3.88Å; Y10-F61 HydrophobicContact CE1-CD2 4.14Å; Y10-F61 HydrophobicContact CE1-CG 4.32Å; Y10-F61 HydrophobicContact CE2-CB 4.09Å; Y10-F61 HydrophobicContact CE2-CD2 4.09Å; Y10-F61 AromaticContact CG-CD2 3.68Å; Y10-F61 HydrophobicContact CG-CD2 3.68Å; Y10-F61 HydrophobicContact CG-CE2 4.23Å; Y10-F61 PolarHBondContact OH-N 3.5Å; Y12-F61 HydrophobicContact CG-CZ 4.43Å; V48-F61 HydrophobicContact CB-CE1 4.41Å; V48-F61 HydrophobicContact CG1-CE1 4.08Å; V48-F61 HydrophobicContact CG1-CZ 4.06Å; V48-F61 HydrophobicContact CG2-CE1 4.05Å; V48-F61 HydrophobicContact CG2-CZ 4.1Å; H51-F61 HydrophobicContact CB-CD1 4.45Å; H51-F61 HydrophobicContact CB-CE1 3.98Å; H51-F61 HydrophobicContact CB-CE2 4.08Å; H51-F61 HydrophobicContact CB-CZ 3.78Å; H51-F61 AromaticContact CD2-CD1 3.48Å; H51-F61 VanDerWaalsContact CD2-CD1 3.48Å; H51-F61 WeakPolarHBondContact CD2-CD1 3.41Å; H51-F61 AromaticContact CD2-CE1 3.39Å; H51-F61 WeakPolarHBondContact CD2-CE1 3.38Å; H51-F61 AromaticContact CE1-CD1 3.9Å; H51-F61 AromaticContact CG-CD1 3.77Å; H51-F61 AromaticContact CG-CE1 3.68Å; H51-F61 AromaticContact CG-CZ 3.99Å; H51-F61 AromaticContact NE2-CD1 3.59Å; H51-F61 AromaticContact NE2-CE1 4Å; F61-E63 HydrophobicContact CD1-CB 4.37Å; F61-E63 HydrophobicContact CE1-CB 4.19Å; F61-E63 HydrophobicContact CE1-CG 4.16Å; F61-T66 HydrophobicContact CE2-CG2 4.37Å; F61-T66 HydrophobicContact CZ-CG2 4.08Å; F61-L175 HydrophobicContact CD2-CD1 3.84Å; F61-L175 HydrophobicContact CE2-CD1 3.62Å | ||
| 62 | D | 90 | Very high | 87 | Confident | 76 Ų | 76 | 50.4 Ų | 50.4 | 41% | 0.406 | 26% | 0.256 | S | S | . | . | trans | -112.7 | 103.8 | 171.3 | -179.7 | -18.1 | 0 | 0 | 0 | 107.9 | E64 S65 T66 | D62-E64 PolarHBondContact OD1-N 3.26Å; D62-S65 VanDerWaalsContact CG-OG 3.22Å; D62-S65 WeakPolarHBondContact OD1-CB 3.49Å; D62-S65 PolarHBondContact OD1-N 3Å; D62-S65 PolarHBondContact OD1-OG 2.98Å; D62-S65 WeakPolarHBondContact OD2-CB 3.23Å; D62-S65 PolarHBondContact OD2-OG 3.32Å; D62-T66 WeakPolarHBondContact O-CB 3.36Å; D62-T66 PolarHBondContact O-N 2.97Å; D62-T66 PolarHBondContact O-OG1 2.68Å | ||
| 63 | E | 91.9 | Very high | 86.6 | Confident | 73 Ų | 73 | 48.3 Ų | 48.3 | 34% | 0.341 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.8 | -46.1 | -173.9 | -158.4 | -163.4 | 125.6 | 0 | 0 | 112.2 | V48 F61 T66 A67 | V48-E63 HydrophobicContact CB-CG 3.5Å; V48-E63 VanDerWaalsContact CB-CG 3.5Å; V48-E63 HydrophobicContact CG1-CG 4.5Å; V48-E63 HydrophobicContact CG2-CB 4.49Å; V48-E63 HydrophobicContact CG2-CG 3.5Å; F61-E63 HydrophobicContact CD1-CB 4.37Å; F61-E63 HydrophobicContact CE1-CB 4.19Å; F61-E63 HydrophobicContact CE1-CG 4.16Å; E63-T66 PolarHBondContact O-N 3.03Å; E63-A67 WeakPolarHBondContact O-CB 3.42Å; E63-A67 PolarHBondContact O-N 3.16Å |
| 64 | E | 89.4 | Confident | 86.2 | Confident | 120 Ų | 120 | 47.4 Ų | 47.4 | 56% | 0.561 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -73.7 | -43.2 | -174.4 | -177.3 | 157.5 | -125.6 | 0 | 0 | 111.2 | K45 D62 T66 A67 L68 | K45-E64 WeakPolarHBondContact CE-OE1 3.49Å; K45-E64 IonicContact NZ-OE1 2.87Å; K45-E64 PolarHBondContact NZ-OE1 3.5Å; D62-E64 PolarHBondContact OD1-N 3.26Å; E64-T66 PolarHBondContact O-N 3.15Å; E64-A67 PolarHBondContact O-N 3.41Å; E64-L68 WeakPolarHBondContact O-CB 3.48Å; E64-L68 PolarHBondContact O-N 3.09Å |
| 65 | S | 89.7 | Confident | 86.4 | Confident | 44 Ų | 44 | 39.5 Ų | 39.5 | 31% | 0.308 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.1 | -44.1 | 172.6 | -64.2 | 0 | 0 | 0 | 0 | 111.1 | D62 L68 V69 | D62-S65 VanDerWaalsContact CG-OG 3.22Å; D62-S65 WeakPolarHBondContact OD1-CB 3.49Å; D62-S65 PolarHBondContact OD1-N 3Å; D62-S65 PolarHBondContact OD1-OG 2.98Å; D62-S65 WeakPolarHBondContact OD2-CB 3.23Å; D62-S65 PolarHBondContact OD2-OG 3.32Å; S65-L68 PolarHBondContact O-N 3.18Å; S65-V69 WeakPolarHBondContact O-CG2 3.02Å; S65-V69 PolarHBondContact O-N 3.38Å |
| 66 | T | 93.8 | Very high | 86.5 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 179.5 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | Y12 V48 F61 D62 E63 E64 T70 F96 | Y12-T66 HydrophobicContact CD1-CG2 4.37Å; Y12-T66 HydrophobicContact CD2-CG2 4.03Å; Y12-T66 HydrophobicContact CE1-CG2 4.23Å; Y12-T66 HydrophobicContact CE2-CG2 3.89Å; Y12-T66 HydrophobicContact CG-CG2 4.29Å; V48-T66 HydrophobicContact CG2-CG2 4.43Å; F61-T66 HydrophobicContact CE2-CG2 4.37Å; F61-T66 HydrophobicContact CZ-CG2 4.08Å; D62-T66 WeakPolarHBondContact O-CB 3.36Å; D62-T66 PolarHBondContact O-N 2.97Å; D62-T66 PolarHBondContact O-OG1 2.68Å; E63-T66 PolarHBondContact O-N 3.03Å; E64-T66 PolarHBondContact O-N 3.15Å; T66-T70 WeakPolarHBondContact O-CB 3.38Å; T66-T70 PolarHBondContact O-N 2.85Å; T66-T70 PolarHBondContact O-OG1 3.27Å; T66-F96 HydrophobicContact CG2-CZ 4.39Å |
| 67 | A | 92.7 | Very high | 86.8 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 3% | 0.033 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | C46 V48 E63 E64 T70 M71 | C46-A67 WeakPolarHBondContact O-CB 3.4Å; V48-A67 HydrophobicContact CG2-CB 4.25Å; E63-A67 WeakPolarHBondContact O-CB 3.42Å; E63-A67 PolarHBondContact O-N 3.16Å; E64-A67 PolarHBondContact O-N 3.41Å; A67-T70 PolarHBondContact O-N 3.05Å; A67-M71 PolarHBondContact O-N 3.49Å |
| 68 | L | 90.1 | Very high | 87.5 | Confident | 45 Ų | 45 | 33 Ų | 33 | 24% | 0.236 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.6 | -44.4 | -179.8 | -178.4 | 65.2 | 0 | 0 | 0 | 112.4 | F25 E64 S65 M71 P72 P331 L334 | F25-L68 HydrophobicContact CE2-CD1 4.02Å; F25-L68 HydrophobicContact CZ-CD1 3.84Å; E64-L68 WeakPolarHBondContact O-CB 3.48Å; E64-L68 PolarHBondContact O-N 3.09Å; S65-L68 PolarHBondContact O-N 3.18Å; L68-M71 CarbonylContact O-C 3.6Å; L68-M71 VanDerWaalsContact O-C 3.28Å; L68-P72 VanDerWaalsContact O-CA 3.25Å; L68-P72 WeakPolarHBondContact O-CA 3.38Å; L68-P331 HydrophobicContact CD1-CB 3.78Å; L68-P331 HydrophobicContact CD1-CG 4.23Å; L68-P331 HydrophobicContact CD2-CB 4.21Å; L68-P331 HydrophobicContact CD2-CG 4.01Å; L68-P331 HydrophobicContact CG-CB 3.83Å; L68-P331 HydrophobicContact CG-CG 3.7Å; L68-L334 HydrophobicContact CD2-CD1 4.35Å |
| 69 | V | 91.9 | Very high | 88.1 | Confident | 19 Ų | 19 | 28.4 Ų | 28.4 | 12% | 0.115 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -81.5 | -19.9 | 177.4 | -55.5 | 0 | 0 | 0 | 0 | 113.2 | S65 P72 H94 F96 I98 P331 | S65-V69 WeakPolarHBondContact O-CG2 3.02Å; S65-V69 PolarHBondContact O-N 3.38Å; V69-P72 WeakPolarHBondContact O-CG 3.07Å; V69-H94 PolarHBondContact O-NE2 3.44Å; V69-F96 HydrophobicContact CB-CB 4.19Å; V69-F96 HydrophobicContact CB-CD1 4.48Å; V69-F96 HydrophobicContact CB-CD2 4.17Å; V69-F96 HydrophobicContact CB-CG 4.06Å; V69-F96 HydrophobicContact CG2-CB 4.14Å; V69-F96 HydrophobicContact CG2-CD1 3.94Å; V69-F96 HydrophobicContact CG2-CD2 3.22Å; V69-F96 HydrophobicContact CG2-CE1 4.06Å; V69-F96 HydrophobicContact CG2-CE2 3.35Å; V69-F96 HydrophobicContact CG2-CG 3.51Å; V69-F96 HydrophobicContact CG2-CZ 3.77Å; V69-I98 HydrophobicContact CG2-CD1 4.42Å; V69-I98 HydrophobicContact CG2-CG1 4.25Å; V69-P331 HydrophobicContact CG1-CG 4.37Å |
| 70 | T | 93.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.3 | -35.7 | 171.7 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | Y12 C14 T66 A67 H94 A110 A171 | Y12-T70 HydrophobicContact CE2-CG2 4.3Å; C14-T70 HydrophobicContact CB-CG2 3.93Å; T66-T70 WeakPolarHBondContact O-CB 3.38Å; T66-T70 PolarHBondContact O-N 2.85Å; T66-T70 PolarHBondContact O-OG1 3.27Å; A67-T70 PolarHBondContact O-N 3.05Å; T70-H94 PolarHBondContact O-CD2 3.17Å; T70-H94 VanDerWaalsContact O-CD2 3.24Å; T70-A110 HydrophobicContact CG2-CB 4.08Å; T70-A171 HydrophobicContact CG2-CB 3.69Å |
| 71 | M | 90.7 | Very high | 87.4 | Confident | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -130.5 | 78.3 | 173.6 | -58.8 | -163.2 | -166.7 | 0 | 0 | 111.2 | C14 C46 A67 L68 Q73 G74 L75 T169 A171 | C14-M71 HydrophobicContact CB-CE 4.49Å; C46-M71 HydrophobicContact CB-CB 4.07Å; C46-M71 HydrophobicContact CB-CG 4.22Å; C46-M71 HydrophobicContact CB-SD 4.01Å; A67-M71 PolarHBondContact O-N 3.49Å; L68-M71 CarbonylContact O-C 3.6Å; L68-M71 VanDerWaalsContact O-C 3.28Å; M71-Q73 PolarHBondContact O-N 2.86Å; M71-Q73 VanDerWaalsContact O-N 3.11Å; M71-G74 WeakPolarHBondContact O-CA 3.5Å; M71-G74 PolarHBondContact O-N 2.97Å; M71-L75 HydrophobicContact SD-CB 3.65Å; M71-T169 HydrophobicContact CE-CG2 3.76Å; M71-T169 HydrophobicContact SD-CG2 3.86Å; M71-A171 HydrophobicContact CE-CB 4.11Å |
| 72 | P | 88 | Confident | 86.5 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -14.2 | -171 | -21.5 | 33.1 | 0 | 0 | 0 | 116.5 | F25 L68 V69 Y303 I329 P331 V332 | F25-P72 WeakPolarHBondContact CZ-O 3.5Å; L68-P72 VanDerWaalsContact O-CA 3.25Å; L68-P72 WeakPolarHBondContact O-CA 3.38Å; V69-P72 WeakPolarHBondContact O-CG 3.07Å; P72-Y303 HydrophobicContact CB-CE1 3.67Å; P72-Y303 HydrophobicContact CG-CD1 4.01Å; P72-Y303 HydrophobicContact CG-CE1 3.52Å; P72-I329 HydrophobicContact CB-CG2 4.07Å; P72-I329 HydrophobicContact CG-CG2 3.38Å; P72-P331 HydrophobicContact CB-CB 4.34Å; P72-P331 HydrophobicContact CB-CG 4.48Å; P72-P331 WeakPolarHBondContact O-CA 3.26Å; P72-V332 PolarHBondContact O-N 2.75Å |
| 73 | Q | 82.9 | Confident | 85.4 | Confident | 42 Ų | 42 | 28.4 Ų | 28.4 | 20% | 0.196 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 8.2 | 171.9 | -82.3 | 168.4 | -10.2 | 0 | 0 | 112.3 | P43 M71 Y303 V332 N349 | P43-Q73 WeakPolarHBondContact CB-O 3.5Å; M71-Q73 PolarHBondContact O-N 2.86Å; M71-Q73 VanDerWaalsContact O-N 3.11Å; Q73-Y303 WeakPolarHBondContact CB-OH 3.31Å; Q73-Y303 VanDerWaalsContact CD-OH 3.25Å; Q73-Y303 WeakPolarHBondContact CG-OH 3.44Å; Q73-Y303 PolarHBondContact N-OH 3.11Å; Q73-Y303 PolarHBondContact OE1-OH 2.89Å; Q73-V332 HydrophobicContact CB-CG2 4.49Å; Q73-V332 HydrophobicContact CG-CG2 3.62Å; Q73-N349 VanDerWaalsContact NE2-CG 3.32Å; Q73-N349 PolarHBondContact NE2-O 3.06Å; Q73-N349 PolarHBondContact NE2-OD1 2.89Å |
| 74 | G | 84.6 | Confident | 84.2 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | trans | 80.8 | 174.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F25 Y44 M71 | F25-G74 VanDerWaalsContact CE2-N 3.29Å; Y44-G74 WeakPolarHBondContact O-CA 3.47Å; M71-G74 WeakPolarHBondContact O-CA 3.5Å; M71-G74 PolarHBondContact O-N 2.97Å | ||
| 75 | L | 87.4 | Confident | 83.3 | Confident | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -81.8 | 148.6 | 175.1 | 90.5 | 95.3 | 0 | 0 | 0 | 110.1 | V16 Y44 K45 C46 M71 I77 T168 | V16-L75 HydrophobicContact CG2-CD1 3.61Å; V16-L75 HydrophobicContact CG2-CD2 3.66Å; V16-L75 HydrophobicContact CG2-CG 4.33Å; Y44-L75 PolarHBondContact N-O 3.42Å; Y44-L75 VanDerWaalsContact N-O 3.09Å; Y44-L75 PolarHBondContact O-N 3.41Å; K45-L75 VanDerWaalsContact O-CD2 3.32Å; K45-L75 WeakPolarHBondContact O-CD2 3.47Å; C46-L75 HydrophobicContact CB-CB 4.29Å; M71-L75 HydrophobicContact SD-CB 3.65Å; L75-I77 HydrophobicContact CD1-CD1 4.49Å; L75-I77 HydrophobicContact CD1-CG1 3.78Å; L75-T168 VanDerWaalsContact CD1-OG1 3.23Å; L75-T168 WeakPolarHBondContact CD1-OG1 3.39Å |
| 76 | N | 85 | Confident | 82.3 | Confident | 38 Ų | 38 | 22.7 Ų | 22.7 | 20% | 0.203 | 14% | 0.136 | C | C | . | . | trans | -111.2 | 141.2 | 178.7 | -68.8 | -91.6 | 0 | 0 | 0 | 111 | F78 T168 T169 | N76-F78 HydrophobicContact CB-CD1 4.13Å; N76-F78 HydrophobicContact CB-CE1 4.23Å; N76-T168 WeakPolarHBondContact O-CA 3.4Å; N76-T169 PolarHBondContact N-OG1 3.07Å; N76-T169 PolarHBondContact O-N 3.21Å; N76-T169 PolarHBondContact O-OG1 3.04Å | ||
| 77 | I | 86.6 | Confident | 81 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 127.3 | 177.5 | -53.3 | 173.2 | 0 | 0 | 0 | 107.8 | L22 L40 Y44 L75 F122 V126 L166 F167 | L22-I77 HydrophobicContact CD2-CD1 3.44Å; L22-I77 VanDerWaalsContact CD2-CD1 3.44Å; L40-I77 CarbonylContact C-O 3.53Å; L40-I77 WeakPolarHBondContact CA-O 3.34Å; L40-I77 HydrophobicContact CD2-CB 4.34Å; L40-I77 HydrophobicContact CD2-CG2 3.86Å; L40-I77 WeakPolarHBondContact CD2-O 3.32Å; Y44-I77 HydrophobicContact CD2-CD1 3.6Å; Y44-I77 HydrophobicContact CD2-CG1 4.07Å; Y44-I77 HydrophobicContact CE2-CD1 3.63Å; Y44-I77 HydrophobicContact CE2-CG1 4.27Å; Y44-I77 HydrophobicContact CG-CD1 4.22Å; L75-I77 HydrophobicContact CD1-CD1 4.49Å; L75-I77 HydrophobicContact CD1-CG1 3.78Å; I77-F122 HydrophobicContact CD1-CE1 4Å; I77-F122 HydrophobicContact CD1-CZ 3.67Å; I77-F122 HydrophobicContact CG1-CZ 4.45Å; I77-F122 HydrophobicContact CG2-CE1 4.45Å; I77-V126 HydrophobicContact CD1-CG2 4.46Å; I77-V126 HydrophobicContact CG2-CG2 4.41Å; I77-L166 HydrophobicContact CG2-CD1 3.75Å; I77-L166 HydrophobicContact CG2-CD2 4.23Å; I77-L166 HydrophobicContact CG2-CG 4.03Å; I77-F167 WeakPolarHBondContact CA-O 3.42Å |
| 78 | F | 84.7 | Confident | 79.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 148.8 | -172.5 | 44.1 | -88.1 | 0 | 0 | 0 | 112.3 | N76 L84 F85 F88 C114 F167 | N76-F78 HydrophobicContact CB-CD1 4.13Å; N76-F78 HydrophobicContact CB-CE1 4.23Å; F78-L84 HydrophobicContact CB-CB 4.04Å; F78-L84 HydrophobicContact CB-CD1 4.3Å; F78-L84 HydrophobicContact CD1-CB 4.01Å; F78-L84 HydrophobicContact CD1-CD1 4.29Å; F78-L84 HydrophobicContact CD2-CB 4.3Å; F78-L84 HydrophobicContact CG-CB 3.86Å; F78-F85 HydrophobicContact CD2-CB 4.12Å; F78-F85 HydrophobicContact CE2-CB 4.29Å; F78-F85 HydrophobicContact CE2-CD2 4.24Å; F78-F88 AromaticContact CE1-CD2 3.82Å; F78-F88 HydrophobicContact CE1-CD2 3.82Å; F78-F88 HydrophobicContact CE1-CE2 4.26Å; F78-F88 HydrophobicContact CZ-CB 3.99Å; F78-F88 AromaticContact CZ-CD2 3.69Å; F78-F88 HydrophobicContact CZ-CD2 3.69Å; F78-F88 HydrophobicContact CZ-CG 4.13Å; F78-C114 HydrophobicContact CE2-CB 4.04Å; F78-C114 HydrophobicContact CZ-CB 3.82Å; F78-F167 HydrophobicContact CD2-CB 3.8Å; F78-F167 HydrophobicContact CE2-CB 3.56Å; F78-F167 HydrophobicContact CE2-CG 4.48Å; F78-F167 HydrophobicContact CZ-CB 4.23Å; F78-F167 PolarHBondContact N-O 3.12Å; F78-F167 PolarHBondContact O-N 3.14Å |
| 79 | S | 83.4 | Confident | 78.6 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 164.6 | 171.5 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | S81 S82 D164 S165 | S79-S81 VanDerWaalsContact CB-OG 3.31Å; S79-S81 WeakPolarHBondContact CB-OG 3.4Å; S79-S81 PolarHBondContact O-N 3.16Å; S79-S81 PolarHBondContact OG-OG 3.03Å; S79-S82 VanDerWaalsContact O-CB 3.26Å; S79-S82 WeakPolarHBondContact O-CB 3.32Å; S79-S82 PolarHBondContact O-N 2.96Å; S79-S82 PolarHBondContact OG-N 2.9Å; S79-D164 WeakPolarHBondContact CB-OD2 3.3Å; S79-S165 CarbonylContact C-O 3.59Å; S79-S165 WeakPolarHBondContact CA-O 3.35Å |
| 80 | Q | 77.8 | Confident | 77.7 | Confident | 32 Ų | 32 | 30.8 Ų | 30.8 | 15% | 0.15 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.9 | 172 | -164.6 | 173.1 | 24.5 | 0 | 0 | 111.8 | S82 F85 D164 S165 F167 I539 | Q80-S82 VanDerWaalsContact C-N 3.28Å; Q80-S82 PolarHBondContact O-N 3.48Å; Q80-F85 HydrophobicContact CG-CE1 4.47Å; Q80-D164 WeakPolarHBondContact CB-OD1 3.49Å; Q80-D164 PolarHBondContact N-OD1 2.93Å; Q80-S165 PolarHBondContact N-O 3.25Å; Q80-F167 HydrophobicContact CB-CD2 4.48Å; Q80-F167 HydrophobicContact CB-CE2 3.97Å; Q80-F167 HydrophobicContact CG-CE2 4.13Å; Q80-I539 PolarHBondContact NE2-O 3.02Å |
| 81 | S | 69.6 | Low | 77.3 | Confident | 76 Ų | 76 | 31.6 Ų | 31.6 | 53% | 0.531 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -10.5 | 174.4 | 50.8 | 0 | 0 | 0 | 0 | 114.9 | S79 D164 | S79-S81 VanDerWaalsContact CB-OG 3.31Å; S79-S81 WeakPolarHBondContact CB-OG 3.4Å; S79-S81 PolarHBondContact O-N 3.16Å; S79-S81 PolarHBondContact OG-OG 3.03Å; S81-D164 WeakPolarHBondContact CB-OD2 3.47Å; S81-D164 PolarHBondContact OG-OD2 3.45Å |
| 82 | S | 72.1 | Confident | 77.2 | Confident | 8 Ų | 8 | 34.7 Ų | 34.7 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -80 | 141.6 | -175.6 | -178 | 0 | 0 | 0 | 0 | 113.2 | S79 Q80 L84 F85 | S79-S82 VanDerWaalsContact O-CB 3.26Å; S79-S82 WeakPolarHBondContact O-CB 3.32Å; S79-S82 PolarHBondContact O-N 2.96Å; S79-S82 PolarHBondContact OG-N 2.9Å; Q80-S82 VanDerWaalsContact C-N 3.28Å; Q80-S82 PolarHBondContact O-N 3.48Å; S82-L84 PolarHBondContact O-N 3.48Å; S82-L84 VanDerWaalsContact O-N 3.07Å; S82-L84 PolarHBondContact OG-N 3.03Å; S82-F85 WeakPolarHBondContact O-CB 3.41Å; S82-F85 PolarHBondContact O-N 3.28Å |
| 83 | P | 68.4 | Low | 77.4 | Confident | 77 Ų | 77 | 36.6 Ų | 36.6 | 50% | 0.5 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -5.3 | 170.3 | 29.6 | -36.6 | 0 | 0 | 0 | 114.1 | S86 | P83-S86 PolarHBondContact O-OG 3.36Å; P83-S86 VanDerWaalsContact O-OG 3.09Å |
| 84 | L | 66.3 | Low | 77.9 | Confident | 39 Ų | 39 | 34.7 Ų | 34.7 | 20% | 0.204 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -30.2 | 168.3 | -64.1 | -179.6 | 0 | 0 | 0 | 112.3 | F78 S82 S86 R87 F88 | F78-L84 HydrophobicContact CB-CB 4.04Å; F78-L84 HydrophobicContact CB-CD1 4.3Å; F78-L84 HydrophobicContact CD1-CB 4.01Å; F78-L84 HydrophobicContact CD1-CD1 4.29Å; F78-L84 HydrophobicContact CD2-CB 4.3Å; F78-L84 HydrophobicContact CG-CB 3.86Å; S82-L84 PolarHBondContact O-N 3.48Å; S82-L84 VanDerWaalsContact O-N 3.07Å; S82-L84 PolarHBondContact OG-N 3.03Å; L84-S86 VanDerWaalsContact C-N 3.31Å; L84-S86 PolarHBondContact O-N 3.14Å; L84-R87 WeakPolarHBondContact O-CA 3.5Å; L84-R87 WeakPolarHBondContact O-CB 3.32Å; L84-R87 PolarHBondContact O-N 2.68Å; L84-F88 WeakPolarHBondContact O-CD2 3.38Å; L84-F88 PolarHBondContact O-N 3.05Å |
| 85 | F | 70.7 | Confident | 78.3 | Confident | 15 Ų | 15 | 34.5 Ų | 34.5 | 7% | 0.066 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.4 | -40.8 | 177.3 | -177.7 | -103 | 0 | 0 | 0 | 111.5 | F78 Q80 S82 R87 F88 H89 F167 Y541 | F78-F85 HydrophobicContact CD2-CB 4.12Å; F78-F85 HydrophobicContact CE2-CB 4.29Å; F78-F85 HydrophobicContact CE2-CD2 4.24Å; Q80-F85 HydrophobicContact CG-CE1 4.47Å; S82-F85 WeakPolarHBondContact O-CB 3.41Å; S82-F85 PolarHBondContact O-N 3.28Å; F85-R87 PolarHBondContact O-N 3.11Å; F85-F88 PolarHBondContact O-N 3.12Å; F85-H89 PolarHBondContact O-N 2.94Å; F85-F167 HydrophobicContact CD2-CD1 4.42Å; F85-F167 AromaticContact CD2-CD2 3.82Å; F85-F167 HydrophobicContact CD2-CD2 3.82Å; F85-F167 HydrophobicContact CD2-CE2 4Å; F85-F167 HydrophobicContact CD2-CG 4.04Å; F85-F167 HydrophobicContact CD2-CZ 4.39Å; F85-F167 HydrophobicContact CE2-CD1 4.03Å; F85-F167 AromaticContact CE2-CD2 3.87Å; F85-F167 HydrophobicContact CE2-CD2 3.87Å; F85-F167 AromaticContact CE2-CE1 3.81Å; F85-F167 HydrophobicContact CE2-CE1 3.81Å; F85-F167 AromaticContact CE2-CE2 3.63Å; F85-F167 HydrophobicContact CE2-CE2 3.63Å; F85-F167 HydrophobicContact CE2-CG 4.07Å; F85-F167 AromaticContact CE2-CZ 3.6Å; F85-F167 HydrophobicContact CE2-CZ 3.6Å; F85-F167 HydrophobicContact CZ-CE2 4.42Å; F85-F167 HydrophobicContact CZ-CZ 4.27Å; F85-Y541 AromaticContact CE2-CD2 3.94Å; F85-Y541 HydrophobicContact CE2-CD2 3.94Å; F85-Y541 AromaticContact CZ-CD2 3.92Å; F85-Y541 HydrophobicContact CZ-CD2 3.92Å |
| 86 | S | 67.2 | Low | 78.7 | Confident | 64 Ų | 64 | 34.3 Ų | 34.3 | 45% | 0.448 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -69 | -15.5 | 175.1 | 64.3 | 0 | 0 | 0 | 0 | 113.9 | P83 L84 H89 | P83-S86 PolarHBondContact O-OG 3.36Å; P83-S86 VanDerWaalsContact O-OG 3.09Å; L84-S86 VanDerWaalsContact C-N 3.31Å; L84-S86 PolarHBondContact O-N 3.14Å; S86-H89 PolarHBondContact O-CE1 3.11Å; S86-H89 VanDerWaalsContact O-CE1 3.26Å; S86-H89 PolarHBondContact O-ND1 3.41Å |
| 87 | R | 66.7 | Low | 79 | Confident | 125 Ų | 125 | 33.6 Ų | 33.6 | 47% | 0.472 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -81.1 | -35.9 | 169.1 | -61 | -174.5 | -178 | -153.9 | -4.7 | 112.4 | L84 F85 Q92 D352 | L84-R87 WeakPolarHBondContact O-CA 3.5Å; L84-R87 WeakPolarHBondContact O-CB 3.32Å; L84-R87 PolarHBondContact O-N 2.68Å; F85-R87 PolarHBondContact O-N 3.11Å; R87-Q92 PolarHBondContact O-NE2 3.42Å; R87-D352 IonicContact CZ-OD2 2.78Å; R87-D352 VanDerWaalsContact CZ-OD2 3.28Å; R87-D352 IonicContact NH1-OD2 2.7Å; R87-D352 PolarHBondContact NH1-OD2 2.98Å; R87-D352 IonicContact NH2-OD2 3.8Å; R87-D352 PolarHBondContact NH2-OD2 3.11Å |
| 88 | F | 66.3 | Low | 79.2 | Confident | 24 Ų | 24 | 35 Ų | 35 | 11% | 0.105 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -103.8 | 0.6 | -172.1 | -69 | -70.2 | 0 | 0 | 0 | 116 | F78 L84 F85 L90 C114 T169 | F78-F88 AromaticContact CE1-CD2 3.82Å; F78-F88 HydrophobicContact CE1-CD2 3.82Å; F78-F88 HydrophobicContact CE1-CE2 4.26Å; F78-F88 HydrophobicContact CZ-CB 3.99Å; F78-F88 AromaticContact CZ-CD2 3.69Å; F78-F88 HydrophobicContact CZ-CD2 3.69Å; F78-F88 HydrophobicContact CZ-CG 4.13Å; L84-F88 WeakPolarHBondContact O-CD2 3.38Å; L84-F88 PolarHBondContact O-N 3.05Å; F85-F88 PolarHBondContact O-N 3.12Å; F88-L90 PolarHBondContact O-N 3.04Å; F88-C114 HydrophobicContact CB-CB 3.9Å; F88-C114 PolarHBondContact O-N 3.46Å; F88-C114 PolarHBondContact O-SG 2.95Å; F88-T169 HydrophobicContact CE1-CG2 4.27Å |
| 89 | H | 65.9 | Low | 79.4 | Confident | 46 Ų | 46 | 38.5 Ų | 38.5 | 21% | 0.213 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -65.2 | -15.5 | 176.5 | 79 | -76.4 | 0 | 0 | 0 | 114.7 | F85 S86 | F85-H89 PolarHBondContact O-N 2.94Å; S86-H89 PolarHBondContact O-CE1 3.11Å; S86-H89 VanDerWaalsContact O-CE1 3.26Å; S86-H89 PolarHBondContact O-ND1 3.41Å |
| 90 | L | 73.2 | Confident | 79.3 | Confident | 43 Ų | 43 | 41.3 Ų | 41.3 | 23% | 0.225 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -115.7 | 145.5 | 171.5 | -78.5 | 165.5 | 0 | 0 | 0 | 109.4 | F88 Q92 I481 T484 A548 | F88-L90 PolarHBondContact O-N 3.04Å; L90-Q92 PolarHBondContact O-N 3.06Å; L90-I481 HydrophobicContact CD1-CD1 4.42Å; L90-I481 HydrophobicContact CD1-CG1 4.44Å; L90-T484 HydrophobicContact CD1-CG2 4.07Å; L90-A548 HydrophobicContact CD2-CB 3.49Å; L90-A548 VanDerWaalsContact CD2-CB 3.49Å |
| 91 | P | 85.7 | Confident | 79.2 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 12% | 0.117 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 130.3 | 176.6 | 28.5 | -34.3 | 0 | 0 | 0 | 110.7 | L111 L112 W192 I552 | P91-L111 HydrophobicContact CB-CD1 4.01Å; P91-L111 HydrophobicContact CB-CD2 3.86Å; P91-L111 HydrophobicContact CB-CG 3.78Å; P91-L112 CarbonylContact C-O 3.07Å; P91-L112 WeakPolarHBondContact CA-O 3.32Å; P91-W192 HydrophobicContact CB-CD2 4.14Å; P91-W192 HydrophobicContact CB-CG 4.44Å; P91-W192 HydrophobicContact CG-CD2 3.93Å; P91-W192 HydrophobicContact CG-CE3 3.85Å; P91-W192 HydrophobicContact CG-CH2 4.11Å; P91-W192 HydrophobicContact CG-CZ2 4.17Å; P91-W192 HydrophobicContact CG-CZ3 3.94Å; P91-I552 HydrophobicContact CG-CD1 4.03Å |
| 92 | Q | 88.3 | Confident | 79.3 | Confident | 69 Ų | 69 | 49.9 Ų | 49.9 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.7 | 178.9 | -61.6 | -172.1 | 9.8 | 0 | 0 | 110.7 | R87 L90 L111 L112 | R87-Q92 PolarHBondContact O-NE2 3.42Å; L90-Q92 PolarHBondContact O-N 3.06Å; Q92-L111 WeakPolarHBondContact O-CA 3.48Å; Q92-L112 HydrophobicContact CB-CB 4.46Å; Q92-L112 PolarHBondContact N-O 2.83Å; Q92-L112 PolarHBondContact O-N 3.28Å |
| 93 | R | 92.5 | Very high | 79.4 | Confident | 41 Ų | 41 | 52 Ų | 52 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 132.4 | 170.2 | -64 | -176.2 | -175.3 | -154.9 | -5.3 | 110.1 | L111 F185 N186 E189 Y304 | R93-L111 HydrophobicContact CG-CD1 4.3Å; R93-F185 HydrophobicContact CB-CD1 4.05Å; R93-F185 HydrophobicContact CB-CE1 3.64Å; R93-F185 HydrophobicContact CB-CE2 4.35Å; R93-F185 HydrophobicContact CB-CZ 3.8Å; R93-F185 HydrophobicContact CG-CD1 3.74Å; R93-F185 HydrophobicContact CG-CE1 3.89Å; R93-F185 HydrophobicContact CG-CG 4.12Å; R93-F185 HydrophobicContact CG-CZ 4.35Å; R93-N186 PolarHBondContact NH2-OD1 3.16Å; R93-E189 IonicContact CZ-OE1 3.74Å; R93-E189 IonicContact CZ-OE2 2.74Å; R93-E189 IonicContact NE-OE1 3.47Å; R93-E189 PolarHBondContact NE-OE1 2.97Å; R93-E189 IonicContact NH2-OE1 3.2Å; R93-E189 PolarHBondContact NH2-OE1 3.38Å; R93-E189 IonicContact NH2-OE2 2.66Å; R93-E189 PolarHBondContact NH2-OE2 2.95Å; R93-Y304 HydrophobicContact CB-CD2 4.21Å; R93-Y304 HydrophobicContact CB-CG 4.4Å; R93-Y304 VanDerWaalsContact O-CB 3.27Å; R93-Y304 WeakPolarHBondContact O-CB 3.4Å |
| 94 | H | 93.2 | Very high | 79.9 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.009 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 143.9 | 170.8 | 175.8 | 32.7 | 0 | 0 | 0 | 109.1 | V69 T70 F96 A110 L112 F185 Y303 | V69-H94 PolarHBondContact O-NE2 3.44Å; T70-H94 PolarHBondContact O-CD2 3.17Å; T70-H94 VanDerWaalsContact O-CD2 3.24Å; H94-F96 AromaticContact NE2-CD1 3.73Å; H94-A110 HydrophobicContact CB-CB 4.2Å; H94-A110 PolarHBondContact N-O 2.73Å; H94-A110 PolarHBondContact O-N 3.22Å; H94-L112 HydrophobicContact CB-CD1 3.64Å; H94-F185 WeakPolarHBondContact O-CE1 3.46Å; H94-F185 WeakPolarHBondContact O-CZ 3.49Å; H94-Y303 AromaticContact CE1-CG 3.97Å; H94-Y303 WeakPolarHBondContact ND1-CB 3.4Å; H94-Y303 AromaticContact ND1-CG 3.91Å |
| 95 | T | 94.1 | Very high | 80.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 143 | 178.6 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | G108 F185 Y269 Y304 M307 I329 | T95-G108 WeakPolarHBondContact CA-O 3.37Å; T95-G108 VanDerWaalsContact CB-O 3.25Å; T95-G108 WeakPolarHBondContact CB-O 3.29Å; T95-G108 PolarHBondContact OG1-O 2.9Å; T95-F185 HydrophobicContact CG2-CE2 4.03Å; T95-F185 HydrophobicContact CG2-CZ 3.96Å; T95-Y269 HydrophobicContact CG2-CE1 3.94Å; T95-Y269 WeakPolarHBondContact CG2-OH 3.42Å; T95-Y269 PolarHBondContact OG1-OH 3.15Å; T95-Y304 HydrophobicContact CG2-CD2 3.95Å; T95-M307 HydrophobicContact CG2-CB 3.96Å; T95-M307 HydrophobicContact CG2-CG 3.91Å; T95-I329 WeakPolarHBondContact O-CG1 3.34Å |
| 96 | F | 94.6 | Very high | 81.7 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 167.4 | -171.2 | 55.4 | -100.9 | 0 | 0 | 0 | 109.5 | Y12 T66 V69 H94 I98 G108 A110 L175 I329 | Y12-F96 WeakPolarHBondContact OH-CE1 3.46Å; Y12-F96 VanDerWaalsContact OH-CZ 3.28Å; Y12-F96 WeakPolarHBondContact OH-CZ 3.49Å; T66-F96 HydrophobicContact CG2-CZ 4.39Å; V69-F96 HydrophobicContact CB-CB 4.19Å; V69-F96 HydrophobicContact CB-CD1 4.48Å; V69-F96 HydrophobicContact CB-CD2 4.17Å; V69-F96 HydrophobicContact CB-CG 4.06Å; V69-F96 HydrophobicContact CG2-CB 4.14Å; V69-F96 HydrophobicContact CG2-CD1 3.94Å; V69-F96 HydrophobicContact CG2-CD2 3.22Å; V69-F96 HydrophobicContact CG2-CE1 4.06Å; V69-F96 HydrophobicContact CG2-CE2 3.35Å; V69-F96 HydrophobicContact CG2-CG 3.51Å; V69-F96 HydrophobicContact CG2-CZ 3.77Å; H94-F96 AromaticContact NE2-CD1 3.73Å; F96-I98 HydrophobicContact CD2-CG1 4.08Å; F96-I98 HydrophobicContact CE2-CD1 3.96Å; F96-I98 HydrophobicContact CE2-CG1 4.02Å; F96-G108 PolarHBondContact N-O 3.48Å; F96-G108 PolarHBondContact O-N 3.26Å; F96-A110 HydrophobicContact CE1-CB 4.27Å; F96-L175 HydrophobicContact CE2-CD2 3.78Å; F96-L175 HydrophobicContact CZ-CD2 3.95Å; F96-I329 HydrophobicContact CB-CB 4.39Å; F96-I329 HydrophobicContact CB-CG1 4.07Å |
| 97 | I | 92.3 | Very high | 82.9 | Confident | 22 Ų | 22 | 50.3 Ų | 50.3 | 11% | 0.113 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 131.1 | 171.7 | -79.8 | 161.7 | 0 | 0 | 0 | 107.9 | R105 V106 M307 E311 Y326 | I97-R105 HydrophobicContact CG2-CB 3.79Å; I97-R105 HydrophobicContact CG2-CG 3.86Å; I97-V106 WeakPolarHBondContact CA-O 3.45Å; I97-M307 HydrophobicContact CB-CE 4.05Å; I97-M307 HydrophobicContact CD1-CE 3.8Å; I97-M307 HydrophobicContact CD1-SD 3.96Å; I97-M307 HydrophobicContact CG1-CE 3.71Å; I97-M307 HydrophobicContact CG1-SD 4.5Å; I97-E311 VanDerWaalsContact CD1-OE1 3.31Å; I97-E311 WeakPolarHBondContact CD1-OE1 3.45Å; I97-Y326 HydrophobicContact CD1-CE1 3.97Å |
| 98 | I | 90.9 | Very high | 84.2 | Confident | 31 Ų | 31 | 44.4 Ų | 44.4 | 16% | 0.159 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 110 | 166.1 | -60.3 | 176.2 | 0 | 0 | 0 | 106.4 | V69 F96 V106 | V69-I98 HydrophobicContact CG2-CD1 4.42Å; V69-I98 HydrophobicContact CG2-CG1 4.25Å; F96-I98 HydrophobicContact CD2-CG1 4.08Å; F96-I98 HydrophobicContact CE2-CD1 3.96Å; F96-I98 HydrophobicContact CE2-CG1 4.02Å; I98-V106 HydrophobicContact CB-CB 4.49Å; I98-V106 PolarHBondContact N-O 3.32Å; I98-V106 PolarHBondContact O-N 3.35Å |
| 99 | T | 87.2 | Confident | 85.6 | Confident | 75 Ų | 75 | 43.2 Ų | 43.2 | 46% | 0.46 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.6 | 173.4 | -56.8 | 0 | 0 | 0 | 0 | 108.6 | T104 | T99-T104 WeakPolarHBondContact CA-O 3.32Å |
| 100 | R | 81.9 | Confident | 87 | Confident | 59 Ų | 59 | 41 Ų | 41 | 22% | 0.223 | 22% | 0.215 | C | C | . | . | trans | -86.3 | 167.9 | -177.8 | -70 | -178.4 | 60.7 | -168 | -6.5 | 112.1 | N58 D102 G103 T104 V106 | N58-R100 PolarHBondContact O-NH1 3.3Å; R100-D102 VanDerWaalsContact CB-OD1 3.27Å; R100-D102 WeakPolarHBondContact CB-OD1 3.03Å; R100-D102 PolarHBondContact O-N 3.25Å; R100-D102 VanDerWaalsContact O-N 3.16Å; R100-G103 WeakPolarHBondContact O-CA 3.3Å; R100-G103 PolarHBondContact O-N 3.07Å; R100-T104 PolarHBondContact N-O 3.29Å; R100-V106 HydrophobicContact CG-CG2 4.33Å | ||
| 101 | E | 75.3 | Confident | 88 | Confident | 197 Ų | 197 | 39 Ų | 39 | 92% | 0.921 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.8 | 179.6 | 65.6 | -176.7 | 156.3 | 0 | 0 | 114.6 | G103 | E101-G103 VanDerWaalsContact C-N 3.33Š|
| 102 | D | 72.7 | Confident | 88.3 | Confident | 92 Ų | 92 | 38.6 Ų | 38.6 | 49% | 0.492 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 0.8 | 174.7 | 59.1 | 11.6 | 0 | 0 | 0 | 113.3 | R100 T104 | R100-D102 VanDerWaalsContact CB-OD1 3.27Å; R100-D102 WeakPolarHBondContact CB-OD1 3.03Å; R100-D102 PolarHBondContact O-N 3.25Å; R100-D102 VanDerWaalsContact O-N 3.16Å; D102-T104 VanDerWaalsContact C-N 3.29Å; D102-T104 PolarHBondContact O-N 3.08Å; D102-T104 VanDerWaalsContact OD1-CB 3.27Å; D102-T104 WeakPolarHBondContact OD1-CB 3.48Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.17Å; D102-T104 PolarHBondContact OD1-N 3.18Å; D102-T104 PolarHBondContact OD1-OG1 3.06Å; D102-T104 PolarHBondContact OD2-OG1 3.13Å |
| 103 | G | 73 | Confident | 88.4 | Confident | 52 Ų | 52 | 35.6 Ų | 35.6 | 54% | 0.536 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 80.2 | 0.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R100 E101 | R100-G103 WeakPolarHBondContact O-CA 3.3Å; R100-G103 PolarHBondContact O-N 3.07Å; E101-G103 VanDerWaalsContact C-N 3.33Å |
| 104 | T | 78.8 | Confident | 88.2 | Confident | 61 Ų | 61 | 33.6 Ų | 33.6 | 37% | 0.374 | 18% | 0.179 | S | C | . | . | trans | -71.9 | 148.5 | 175.9 | 65.9 | 0 | 0 | 0 | 0 | 111.3 | T99 R100 D102 | T99-T104 WeakPolarHBondContact CA-O 3.32Å; R100-T104 PolarHBondContact N-O 3.29Å; D102-T104 VanDerWaalsContact C-N 3.29Å; D102-T104 PolarHBondContact O-N 3.08Å; D102-T104 VanDerWaalsContact OD1-CB 3.27Å; D102-T104 WeakPolarHBondContact OD1-CB 3.48Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.17Å; D102-T104 PolarHBondContact OD1-N 3.18Å; D102-T104 PolarHBondContact OD1-OG1 3.06Å; D102-T104 PolarHBondContact OD2-OG1 3.13Å | ||
| 105 | R | 86.1 | Confident | 88 | Confident | 76 Ų | 76 | 36 Ų | 36 | 29% | 0.287 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 122.3 | -180 | -64.4 | -179.1 | -176.3 | -169 | 0.9 | 109.9 | I97 E311 Y326 | I97-R105 HydrophobicContact CG2-CB 3.79Å; I97-R105 HydrophobicContact CG2-CG 3.86Å; R105-E311 IonicContact NH1-OE1 2.68Å; R105-Y326 VanDerWaalsContact CZ-CD1 3.47Å; R105-Y326 VanDerWaalsContact NH1-CD1 3.35Å |
| 106 | V | 89.9 | Confident | 87.6 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.024 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 121.2 | 168 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | I97 I98 R100 L175 R177 | I97-V106 WeakPolarHBondContact CA-O 3.45Å; I98-V106 HydrophobicContact CB-CB 4.49Å; I98-V106 PolarHBondContact N-O 3.32Å; I98-V106 PolarHBondContact O-N 3.35Å; R100-V106 HydrophobicContact CG-CG2 4.33Å; V106-L175 HydrophobicContact CG1-CB 3.94Å; V106-R177 HydrophobicContact CG2-CG 4.4Å |
| 107 | H | 92.1 | Very high | 87.3 | Confident | 19 Ų | 19 | 39.7 Ų | 39.7 | 9% | 0.088 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 120 | -180 | -53.4 | 85.4 | 0 | 0 | 0 | 108.9 | S176 I181 | H107-S176 WeakPolarHBondContact CB-O 3.41Å; H107-S176 PolarHBondContact N-O 3.29Å; H107-S176 PolarHBondContact ND1-O 2.87Å; H107-S176 PolarHBondContact O-N 3.5Å; H107-I181 HydrophobicContact CB-CD1 4.37Å |
| 108 | G | 94.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 133.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T95 F96 L174 | T95-G108 WeakPolarHBondContact CA-O 3.37Å; T95-G108 VanDerWaalsContact CB-O 3.25Å; T95-G108 WeakPolarHBondContact CB-O 3.29Å; T95-G108 PolarHBondContact OG1-O 2.9Å; F96-G108 PolarHBondContact N-O 3.48Å; F96-G108 PolarHBondContact O-N 3.26Å; G108-L174 WeakPolarHBondContact CA-O 3.44Å |
| 109 | L | 95.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 136.6 | 164.6 | -60.9 | 89.9 | 0 | 0 | 0 | 107.9 | Y12 G173 L174 I181 L184 F185 L188 | Y12-L109 PolarHBondContact OH-O 3Å; Y12-L109 VanDerWaalsContact OH-O 3.07Å; L109-G173 CarbonylContact O-C 3.59Å; L109-G173 WeakPolarHBondContact O-CA 3.23Å; L109-L174 HydrophobicContact CD1-CB 4.5Å; L109-L174 PolarHBondContact N-O 2.95Å; L109-L174 PolarHBondContact O-N 3.06Å; L109-I181 HydrophobicContact CD1-CD1 4.08Å; L109-I181 HydrophobicContact CD2-CD1 4.39Å; L109-I181 HydrophobicContact CD2-CG2 4.42Å; L109-I181 HydrophobicContact CG-CD1 4.25Å; L109-L184 HydrophobicContact CD1-CB 4.37Å; L109-L184 HydrophobicContact CD1-CD1 4.03Å; L109-L184 HydrophobicContact CD2-CB 3.58Å; L109-F185 HydrophobicContact CB-CE1 4.22Å; L109-F185 HydrophobicContact CB-CZ 4.43Å; L109-F185 HydrophobicContact CD2-CB 4.49Å; L109-F185 HydrophobicContact CD2-CD1 4.11Å; L109-F185 HydrophobicContact CD2-CD2 3.84Å; L109-F185 HydrophobicContact CD2-CE1 4.3Å; L109-F185 HydrophobicContact CD2-CE2 4.06Å; L109-F185 HydrophobicContact CD2-CG 3.87Å; L109-F185 HydrophobicContact CD2-CZ 4.28Å; L109-F185 HydrophobicContact CG-CZ 4.49Å; L109-L188 HydrophobicContact CB-CD1 3.98Å |
| 110 | A | 95.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 137.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | T70 H94 F96 L112 I172 | T70-A110 HydrophobicContact CG2-CB 4.08Å; H94-A110 HydrophobicContact CB-CB 4.2Å; H94-A110 PolarHBondContact N-O 2.73Å; H94-A110 PolarHBondContact O-N 3.22Å; F96-A110 HydrophobicContact CE1-CB 4.27Å; A110-L112 HydrophobicContact CB-CD1 3.78Å; A110-I172 CarbonylContact C-O 3.6Å; A110-I172 WeakPolarHBondContact CA-O 3.48Å |
| 111 | L | 94.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 106.4 | 172.3 | -163.6 | 74.8 | 0 | 0 | 0 | 107.6 | P91 Q92 R93 F113 A171 I172 L188 E189 W192 | P91-L111 HydrophobicContact CB-CD1 4.01Å; P91-L111 HydrophobicContact CB-CD2 3.86Å; P91-L111 HydrophobicContact CB-CG 3.78Å; Q92-L111 WeakPolarHBondContact O-CA 3.48Å; R93-L111 HydrophobicContact CG-CD1 4.3Å; L111-F113 WeakPolarHBondContact O-CD1 3.41Å; L111-A171 WeakPolarHBondContact O-CA 3.3Å; L111-I172 HydrophobicContact CB-CG1 4.05Å; L111-I172 PolarHBondContact N-O 3.22Å; L111-I172 PolarHBondContact O-N 3.32Å; L111-L188 HydrophobicContact CB-CB 4.45Å; L111-L188 HydrophobicContact CD2-CB 4.45Å; L111-E189 HydrophobicContact CD1-CG 3.93Å; L111-E189 HydrophobicContact CD2-CG 4.19Å; L111-W192 HydrophobicContact CD2-CB 3.67Å; L111-W192 HydrophobicContact CD2-CG 4.08Å |
| 112 | L | 92.5 | Very high | 86.6 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 133.5 | -177.2 | -81.5 | 65.5 | 0 | 0 | 0 | 110 | P91 Q92 H94 A110 T169 K170 A171 | P91-L112 CarbonylContact C-O 3.07Å; P91-L112 WeakPolarHBondContact CA-O 3.32Å; Q92-L112 HydrophobicContact CB-CB 4.46Å; Q92-L112 PolarHBondContact N-O 2.83Å; Q92-L112 PolarHBondContact O-N 3.28Å; H94-L112 HydrophobicContact CB-CD1 3.64Å; A110-L112 HydrophobicContact CB-CD1 3.78Å; L112-T169 HydrophobicContact CD2-CG2 4.34Å; L112-T169 HydrophobicContact CG-CG2 4.5Å; L112-K170 WeakPolarHBondContact CA-O 3.44Å; L112-A171 HydrophobicContact CD1-CB 3.93Å; L112-A171 HydrophobicContact CG-CB 4.09Å |
| 113 | F | 90.5 | Very high | 87.2 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 2% | 0.022 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 170.1 | 176.4 | 55.4 | -79.5 | 0 | 0 | 0 | 109.9 | L111 K170 I172 W192 M195 | L111-F113 WeakPolarHBondContact O-CD1 3.41Å; F113-K170 HydrophobicContact CE2-CB 4.26Å; F113-K170 HydrophobicContact CE2-CD 4.03Å; F113-K170 HydrophobicContact CZ-CB 4.33Å; F113-K170 HydrophobicContact CZ-CD 3.89Å; F113-K170 HydrophobicContact CZ-CG 4.43Å; F113-K170 PolarHBondContact N-O 3.13Å; F113-K170 PolarHBondContact O-N 2.84Å; F113-I172 HydrophobicContact CE1-CG1 4.12Å; F113-I172 HydrophobicContact CE1-CG2 4.07Å; F113-I172 HydrophobicContact CZ-CG2 4.24Å; F113-W192 AromaticContact CD1-CD1 3.72Å; F113-W192 AromaticContact CD1-NE1 3.93Å; F113-W192 AromaticContact CD2-NE1 3.71Å; F113-W192 AromaticContact CE1-CD1 3.97Å; F113-W192 AromaticContact CG-CD1 3.8Å; F113-W192 AromaticContact CG-NE1 3.52Å; F113-M195 HydrophobicContact CE2-CE 4.44Å; F113-M195 HydrophobicContact CZ-CE 4.47Å |
| 114 | C | 88.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 144.5 | 170.7 | 54.1 | 0 | 0 | 0 | 0 | 111.8 | F78 F88 F167 T168 Y541 | F78-C114 HydrophobicContact CE2-CB 4.04Å; F78-C114 HydrophobicContact CZ-CB 3.82Å; F88-C114 HydrophobicContact CB-CB 3.9Å; F88-C114 PolarHBondContact O-N 3.46Å; F88-C114 PolarHBondContact O-SG 2.95Å; C114-F167 HydrophobicContact CB-CB 4.47Å; C114-F167 HydrophobicContact CB-CD1 4.42Å; C114-T168 CarbonylContact C-O 3.58Å; C114-T168 VanDerWaalsContact CA-O 3.29Å; C114-T168 WeakPolarHBondContact CA-O 3.41Å; C114-Y541 PolarHBondContact O-OH 2.76Å; C114-Y541 WeakPolarHBondContact SG-CE2 3.37Å |
| 115 | E | 87.5 | Confident | 87.8 | Confident | 52 Ų | 52 | 37.8 Ų | 37.8 | 24% | 0.243 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 142.3 | 170.7 | 171.4 | 168.3 | -114.8 | 0 | 0 | 109.5 | F167 T168 K170 | E115-F167 CarbonylContact O-C 2.97Å; E115-F167 VanDerWaalsContact O-CA 3.26Å; E115-F167 WeakPolarHBondContact O-CA 3.45Å; E115-T168 HydrophobicContact CB-CG2 3.98Å; E115-T168 HydrophobicContact CG-CG2 4.41Å; E115-T168 PolarHBondContact N-O 2.89Å; E115-T168 PolarHBondContact O-N 3.41Å; E115-K170 HydrophobicContact CB-CB 4.04Å; E115-K170 HydrophobicContact CB-CD 4.29Å; E115-K170 IonicContact OE1-NZ 3.29Å; E115-K170 PolarHBondContact OE1-NZ 2.72Å; E115-K170 IonicContact OE2-NZ 3.32Å; E115-K170 PolarHBondContact OE2-NZ 3.26Å |
| 116 | L | 86.9 | Confident | 87.7 | Confident | 76 Ų | 76 | 34.2 Ų | 34.2 | 40% | 0.398 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 125.1 | 173 | 178.1 | 68.5 | 0 | 0 | 0 | 109.6 | T118 F167 | L116-T118 PolarHBondContact O-N 3.46Å; L116-F167 HydrophobicContact CB-CD1 4.3Å; L116-F167 HydrophobicContact CB-CE1 3.98Å; L116-F167 HydrophobicContact CD1-CD1 4.39Å; L116-F167 HydrophobicContact CD1-CE1 3.89Å; L116-F167 HydrophobicContact CD1-CE2 4.34Å; L116-F167 HydrophobicContact CD1-CZ 3.86Å |
| 117 | V | 87 | Confident | 87.4 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | trans | -77.3 | 107.8 | 178.3 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | Y18 F122 K123 L166 T168 | Y18-V117 HydrophobicContact CE1-CG1 4.07Å; V117-F122 HydrophobicContact CG1-CB 4.28Å; V117-F122 HydrophobicContact CG1-CD1 3.63Å; V117-F122 HydrophobicContact CG1-CE1 4.21Å; V117-F122 HydrophobicContact CG1-CG 4.23Å; V117-F122 HydrophobicContact CG2-CE1 4.31Å; V117-K123 HydrophobicContact CG1-CG 4.36Å; V117-K123 WeakPolarHBondContact O-CE 3.12Å; V117-L166 HydrophobicContact CB-CB 4.2Å; V117-L166 HydrophobicContact CB-CD2 4.24Å; V117-L166 HydrophobicContact CB-CG 4.33Å; V117-L166 WeakPolarHBondContact CB-O 3.3Å; V117-L166 HydrophobicContact CG1-CD2 4.26Å; V117-L166 HydrophobicContact CG2-CD2 4.3Å; V117-L166 HydrophobicContact CG2-CG 4.21Å; V117-L166 PolarHBondContact N-O 2.91Å; V117-T168 HydrophobicContact CG2-CG2 3.82Å | ||
| 118 | T | 83.3 | Confident | 86.9 | Confident | 104 Ų | 104 | 38 Ų | 38 | 64% | 0.638 | 21% | 0.213 | S | C | * | . | trans | -92.9 | -13.5 | 178.6 | 53.9 | 0 | 0 | 0 | 0 | 113.9 | L116 E120 | L116-T118 PolarHBondContact O-N 3.46Å; T118-E120 PolarHBondContact O-N 3.27Å | ||
| 119 | H | 85.3 | Confident | 86.3 | Confident | 91 Ų | 91 | 40.4 Ų | 40.4 | 42% | 0.421 | 23% | 0.226 | S | C | . | . | trans | -81.2 | 104 | -176.7 | -169 | -104 | 0 | 0 | 0 | 111.5 | Y18 G121 F122 K123 | Y18-H119 HydrophobicContact CD1-CB 3.7Å; Y18-H119 HydrophobicContact CE1-CB 3.87Å; Y18-H119 HydrophobicContact CG-CB 4.18Å; H119-G121 PolarHBondContact O-N 3.32Å; H119-F122 HydrophobicContact CB-CB 4.11Å; H119-F122 PolarHBondContact ND1-N 2.91Å; H119-F122 VanDerWaalsContact O-CB 3.31Å; H119-F122 WeakPolarHBondContact O-CB 3.34Å; H119-F122 PolarHBondContact O-N 2.93Å; H119-K123 PolarHBondContact O-N 3.04Å | ||
| 120 | E | 81.4 | Confident | 85.7 | Confident | 110 Ų | 110 | 41.4 Ų | 41.4 | 51% | 0.514 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56.7 | -44 | -175.6 | -58.4 | -53.5 | 145.7 | 0 | 0 | 113 | T118 F122 K123 E124 | T118-E120 PolarHBondContact O-N 3.27Å; E120-F122 PolarHBondContact O-N 3.39Å; E120-K123 WeakPolarHBondContact O-CA 3.43Å; E120-K123 WeakPolarHBondContact O-CB 3.48Å; E120-K123 PolarHBondContact O-N 3.33Å; E120-K123 IonicContact OE1-NZ 2.61Å; E120-K123 PolarHBondContact OE1-NZ 2.97Å; E120-K123 WeakPolarHBondContact OE2-CD 3.42Å; E120-K123 WeakPolarHBondContact OE2-CE 3.43Å; E120-K123 IonicContact OE2-NZ 3.85Å; E120-K123 PolarHBondContact OE2-NZ 3.02Å; E120-E124 PolarHBondContact O-N 3.2Å |
| 121 | G | 80 | Confident | 84.9 | Confident | 33 Ų | 33 | 47.9 Ų | 47.9 | 34% | 0.34 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.2 | -19.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | H119 A125 | H119-G121 PolarHBondContact O-N 3.32Å; G121-A125 WeakPolarHBondContact O-CB 2.91Å; G121-A125 PolarHBondContact O-N 2.78Å; G121-A125 VanDerWaalsContact O-N 3.14Å |
| 122 | F | 84.1 | Confident | 84.2 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -80.7 | -38.5 | 171.6 | -173.5 | -82.7 | 0 | 0 | 0 | 111.5 | V16 Y18 L22 I77 V117 H119 E120 E124 A125 V126 L166 | V16-F122 HydrophobicContact CG1-CD2 4.05Å; V16-F122 HydrophobicContact CG1-CE2 3.36Å; V16-F122 HydrophobicContact CG1-CZ 3.88Å; V16-F122 HydrophobicContact CG2-CE2 4.41Å; V16-F122 HydrophobicContact CG2-CZ 4.13Å; Y18-F122 HydrophobicContact CD1-CB 4.02Å; Y18-F122 AromaticContact CD1-CD2 3.72Å; Y18-F122 HydrophobicContact CD1-CD2 3.72Å; Y18-F122 HydrophobicContact CD1-CE2 4.35Å; Y18-F122 HydrophobicContact CD1-CG 4.02Å; Y18-F122 HydrophobicContact CE1-CB 4.18Å; Y18-F122 HydrophobicContact CE1-CD1 4.47Å; Y18-F122 AromaticContact CE1-CD2 3.94Å; Y18-F122 HydrophobicContact CE1-CD2 3.94Å; Y18-F122 HydrophobicContact CE1-CE2 4.35Å; Y18-F122 AromaticContact CE1-CG 3.97Å; Y18-F122 HydrophobicContact CE1-CG 3.97Å; L22-F122 HydrophobicContact CD1-CE2 4.48Å; L22-F122 HydrophobicContact CD2-CD2 4.43Å; L22-F122 HydrophobicContact CD2-CE1 4.42Å; L22-F122 HydrophobicContact CD2-CE2 3.42Å; L22-F122 VanDerWaalsContact CD2-CE2 3.42Å; L22-F122 HydrophobicContact CD2-CZ 3.46Å; L22-F122 VanDerWaalsContact CD2-CZ 3.46Å; L22-F122 HydrophobicContact CG-CD2 4.44Å; L22-F122 HydrophobicContact CG-CE2 3.85Å; L22-F122 HydrophobicContact CG-CZ 4.23Å; I77-F122 HydrophobicContact CD1-CE1 4Å; I77-F122 HydrophobicContact CD1-CZ 3.67Å; I77-F122 HydrophobicContact CG1-CZ 4.45Å; I77-F122 HydrophobicContact CG2-CE1 4.45Å; V117-F122 HydrophobicContact CG1-CB 4.28Å; V117-F122 HydrophobicContact CG1-CD1 3.63Å; V117-F122 HydrophobicContact CG1-CE1 4.21Å; V117-F122 HydrophobicContact CG1-CG 4.23Å; V117-F122 HydrophobicContact CG2-CE1 4.31Å; H119-F122 HydrophobicContact CB-CB 4.11Å; H119-F122 PolarHBondContact ND1-N 2.91Å; H119-F122 VanDerWaalsContact O-CB 3.31Å; H119-F122 WeakPolarHBondContact O-CB 3.34Å; H119-F122 PolarHBondContact O-N 2.93Å; E120-F122 PolarHBondContact O-N 3.39Å; F122-E124 VanDerWaalsContact C-N 3.32Å; F122-A125 PolarHBondContact O-N 3.05Å; F122-V126 HydrophobicContact CD1-CG2 4.06Å; F122-V126 HydrophobicContact CE1-CG2 3.91Å; F122-V126 WeakPolarHBondContact O-CG2 3.48Å; F122-V126 PolarHBondContact O-N 3.05Å; F122-L166 HydrophobicContact CD1-CD2 4.1Å; F122-L166 HydrophobicContact CE1-CD2 4.21Å |
| 123 | K | 84.4 | Confident | 83.5 | Confident | 38 Ų | 38 | 54.3 Ų | 54.3 | 17% | 0.165 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 171.5 | -57.2 | -175.6 | -157.3 | 159.7 | 0 | 111.2 | V117 H119 E120 V126 S127 F159 L166 | V117-K123 HydrophobicContact CG1-CG 4.36Å; V117-K123 WeakPolarHBondContact O-CE 3.12Å; H119-K123 PolarHBondContact O-N 3.04Å; E120-K123 WeakPolarHBondContact O-CA 3.43Å; E120-K123 WeakPolarHBondContact O-CB 3.48Å; E120-K123 PolarHBondContact O-N 3.33Å; E120-K123 IonicContact OE1-NZ 2.61Å; E120-K123 PolarHBondContact OE1-NZ 2.97Å; E120-K123 WeakPolarHBondContact OE2-CD 3.42Å; E120-K123 WeakPolarHBondContact OE2-CE 3.43Å; E120-K123 IonicContact OE2-NZ 3.85Å; E120-K123 PolarHBondContact OE2-NZ 3.02Å; K123-V126 PolarHBondContact O-N 2.72Å; K123-S127 WeakPolarHBondContact O-CB 3.47Å; K123-S127 PolarHBondContact O-N 3.07Å; K123-S127 PolarHBondContact O-OG 3.4Å; K123-F159 HydrophobicContact CB-CE1 3.95Å; K123-F159 HydrophobicContact CB-CZ 4.42Å; K123-F159 HydrophobicContact CD-CE1 4.39Å; K123-F159 HydrophobicContact CD-CZ 4.08Å; K123-F159 HydrophobicContact CG-CE1 4.38Å; K123-F159 HydrophobicContact CG-CZ 4.38Å; K123-L166 HydrophobicContact CG-CD2 4.21Å |
| 124 | E | 82 | Confident | 82.9 | Confident | 129 Ų | 129 | 55.7 Ų | 55.7 | 60% | 0.603 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.3 | -43.1 | 172.5 | -70 | 178.2 | 170.9 | 0 | 0 | 111.6 | E120 F122 S127 S128 | E120-E124 PolarHBondContact O-N 3.2Å; F122-E124 VanDerWaalsContact C-N 3.32Å; E124-S127 PolarHBondContact O-N 3Å; E124-S128 VanDerWaalsContact O-CB 3.32Å; E124-S128 WeakPolarHBondContact O-CB 3.48Å; E124-S128 PolarHBondContact O-N 3.31Å; E124-S128 PolarHBondContact O-OG 3.45Å |
| 125 | A | 83.4 | Confident | 82.2 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 31% | 0.314 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L22 G121 F122 S128 L129 | L22-A125 HydrophobicContact CD1-CB 4.37Å; G121-A125 WeakPolarHBondContact O-CB 2.91Å; G121-A125 PolarHBondContact O-N 2.78Å; G121-A125 VanDerWaalsContact O-N 3.14Å; F122-A125 PolarHBondContact O-N 3.05Å; A125-S128 WeakPolarHBondContact O-CB 3.44Å; A125-S128 PolarHBondContact O-N 2.69Å; A125-L129 WeakPolarHBondContact O-CG 3.42Å; A125-L129 PolarHBondContact O-N 2.85Å |
| 126 | V | 83.8 | Confident | 81.5 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63 | -43.1 | 175.3 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | L22 L40 I77 F122 K123 S128 L129 Q130 L166 | L22-V126 HydrophobicContact CD1-CG2 3.8Å; L40-V126 HydrophobicContact CD2-CG1 3.91Å; I77-V126 HydrophobicContact CD1-CG2 4.46Å; I77-V126 HydrophobicContact CG2-CG2 4.41Å; F122-V126 HydrophobicContact CD1-CG2 4.06Å; F122-V126 HydrophobicContact CE1-CG2 3.91Å; F122-V126 WeakPolarHBondContact O-CG2 3.48Å; F122-V126 PolarHBondContact O-N 3.05Å; K123-V126 PolarHBondContact O-N 2.72Å; V126-S128 VanDerWaalsContact C-N 3.32Å; V126-S128 PolarHBondContact O-N 3.1Å; V126-L129 PolarHBondContact O-N 3.26Å; V126-Q130 WeakPolarHBondContact O-CG 3.34Å; V126-Q130 PolarHBondContact O-N 3.17Å; V126-L166 HydrophobicContact CB-CD2 4.31Å; V126-L166 HydrophobicContact CG1-CD1 4.42Å; V126-L166 HydrophobicContact CG1-CD2 4.45Å; V126-L166 HydrophobicContact CG2-CD2 4.11Å |
| 127 | S | 82.8 | Confident | 80.6 | Confident | 35 Ų | 35 | 58.3 Ų | 58.3 | 25% | 0.245 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 175.5 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | K123 E124 Q130 M131 | K123-S127 WeakPolarHBondContact O-CB 3.47Å; K123-S127 PolarHBondContact O-N 3.07Å; K123-S127 PolarHBondContact O-OG 3.4Å; E124-S127 PolarHBondContact O-N 3Å; S127-Q130 PolarHBondContact O-N 2.94Å; S127-M131 WeakPolarHBondContact O-CG 3.48Å; S127-M131 PolarHBondContact O-N 3.03Å |
| 128 | S | 83 | Confident | 79.7 | Confident | 68 Ų | 68 | 63.9 Ų | 63.9 | 48% | 0.476 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 176.1 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | E124 A125 V126 Q130 M131 I132 | E124-S128 VanDerWaalsContact O-CB 3.32Å; E124-S128 WeakPolarHBondContact O-CB 3.48Å; E124-S128 PolarHBondContact O-N 3.31Å; E124-S128 PolarHBondContact O-OG 3.45Å; A125-S128 WeakPolarHBondContact O-CB 3.44Å; A125-S128 PolarHBondContact O-N 2.69Å; V126-S128 VanDerWaalsContact C-N 3.32Å; V126-S128 PolarHBondContact O-N 3.1Å; S128-Q130 VanDerWaalsContact C-N 3.32Å; S128-Q130 PolarHBondContact O-N 3.27Å; S128-M131 PolarHBondContact O-N 3.09Å; S128-I132 VanDerWaalsContact O-CG1 3.32Å; S128-I132 WeakPolarHBondContact O-CG1 3.44Å; S128-I132 PolarHBondContact O-N 3.29Å |
| 129 | L | 81.7 | Confident | 78.6 | Confident | 50 Ų | 50 | 62 Ų | 62 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 173.5 | -71.9 | 174.1 | 0 | 0 | 0 | 112.1 | L22 P39 Y44 A125 V126 Y133 | L22-L129 HydrophobicContact CD1-CD1 3.66Å; P39-L129 HydrophobicContact CB-CB 4.08Å; P39-L129 HydrophobicContact CG-CB 3.82Å; Y44-L129 HydrophobicContact CE1-CD1 4.49Å; A125-L129 WeakPolarHBondContact O-CG 3.42Å; A125-L129 PolarHBondContact O-N 2.85Å; V126-L129 PolarHBondContact O-N 3.26Å; L129-Y133 WeakPolarHBondContact O-CB 3.41Å; L129-Y133 PolarHBondContact O-N 3.4Å |
| 130 | Q | 81.5 | Confident | 77.3 | Confident | 20 Ų | 20 | 62.1 Ų | 62.1 | 9% | 0.093 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 174.8 | -74.4 | -172.5 | -26.6 | 0 | 0 | 112.2 | P39 L40 V126 S127 S128 A134 E157 | P39-Q130 HydrophobicContact CB-CG 4.17Å; P39-Q130 HydrophobicContact CG-CG 3.99Å; L40-Q130 VanDerWaalsContact CD1-NE2 3.32Å; V126-Q130 WeakPolarHBondContact O-CG 3.34Å; V126-Q130 PolarHBondContact O-N 3.17Å; S127-Q130 PolarHBondContact O-N 2.94Å; S128-Q130 VanDerWaalsContact C-N 3.32Å; S128-Q130 PolarHBondContact O-N 3.27Å; Q130-A134 VanDerWaalsContact O-CB 3.26Å; Q130-A134 WeakPolarHBondContact O-CB 3.49Å; Q130-A134 PolarHBondContact O-N 2.85Å; Q130-E157 PolarHBondContact NE2-O 2.86Å |
| 131 | M | 79.3 | Confident | 76.1 | Confident | 137 Ų | 137 | 62.4 Ų | 62.4 | 68% | 0.675 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.1 | -39.5 | 174.8 | -74.6 | -60.6 | -60 | 0 | 0 | 112.7 | S127 S128 A134 A135 | S127-M131 WeakPolarHBondContact O-CG 3.48Å; S127-M131 PolarHBondContact O-N 3.03Å; S128-M131 PolarHBondContact O-N 3.09Å; M131-A134 PolarHBondContact O-N 2.79Å; M131-A135 WeakPolarHBondContact O-CB 3.33Å; M131-A135 PolarHBondContact O-N 3.21Å |
| 132 | I | 80.1 | Confident | 75 | Confident | 95 Ų | 95 | 68.1 Ų | 68.1 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.2 | -53.7 | 173.7 | -68.2 | 162.8 | 0 | 0 | 0 | 109.8 | S128 A134 A135 D136 | S128-I132 VanDerWaalsContact O-CG1 3.32Å; S128-I132 WeakPolarHBondContact O-CG1 3.44Å; S128-I132 PolarHBondContact O-N 3.29Å; I132-A134 VanDerWaalsContact C-N 3.29Å; I132-A134 PolarHBondContact O-N 2.92Å; I132-A135 WeakPolarHBondContact O-CA 3.45Å; I132-A135 WeakPolarHBondContact O-CB 3.48Å; I132-A135 PolarHBondContact O-N 3.27Å; I132-D136 WeakPolarHBondContact CG2-OD2 3.45Å; I132-D136 PolarHBondContact O-N 3.03Å |
| 133 | Y | 77.4 | Confident | 73.5 | Confident | 50 Ų | 50 | 72.1 Ų | 72.1 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -56.4 | -40.3 | 178 | 180 | -105.7 | 0 | 0 | 0 | 113 | L35 D36 P38 L129 D136 L137 | L35-Y133 WeakPolarHBondContact O-CD2 3.19Å; L35-Y133 VanDerWaalsContact O-CE2 3.32Å; L35-Y133 WeakPolarHBondContact O-CE2 3.3Å; D36-Y133 WeakPolarHBondContact O-CE2 3.47Å; D36-Y133 PolarHBondContact O-OH 2.96Å; P38-Y133 HydrophobicContact CB-CD1 4.48Å; P38-Y133 HydrophobicContact CB-CE1 3.96Å; P38-Y133 WeakPolarHBondContact CD-OH 3.45Å; P38-Y133 HydrophobicContact CG-CE1 3.81Å; P38-Y133 WeakPolarHBondContact CG-OH 3.27Å; L129-Y133 WeakPolarHBondContact O-CB 3.41Å; L129-Y133 PolarHBondContact O-N 3.4Å; Y133-D136 PolarHBondContact O-N 3.25Å; Y133-L137 HydrophobicContact CD1-CD1 3.98Å; Y133-L137 HydrophobicContact CE1-CD1 3.45Å; Y133-L137 VanDerWaalsContact CE1-CD1 3.45Å; Y133-L137 HydrophobicContact CE1-CG 4.34Å; Y133-L137 HydrophobicContact CE2-CD1 4.44Å; Y133-L137 WeakPolarHBondContact O-CB 3.33Å; Y133-L137 WeakPolarHBondContact O-CG 3.18Å; Y133-L137 PolarHBondContact O-N 3.08Å |
| 134 | A | 77.1 | Confident | 71.6 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 28% | 0.281 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.1 | -31 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q130 M131 I132 Q138 | Q130-A134 VanDerWaalsContact O-CB 3.26Å; Q130-A134 WeakPolarHBondContact O-CB 3.49Å; Q130-A134 PolarHBondContact O-N 2.85Å; M131-A134 PolarHBondContact O-N 2.79Å; I132-A134 VanDerWaalsContact C-N 3.29Å; I132-A134 PolarHBondContact O-N 2.92Å; A134-Q138 VanDerWaalsContact O-CG 3.26Å; A134-Q138 WeakPolarHBondContact O-CG 3.47Å; A134-Q138 PolarHBondContact O-N 3.33Å; A134-Q138 PolarHBondContact O-NE2 3.26Å |
| 135 | A | 74.3 | Confident | 70 | Confident | 52 Ų | 52 | 72.5 Ų | 72.5 | 43% | 0.43 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -74.5 | -40.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | M131 I132 Q138 S139 | M131-A135 WeakPolarHBondContact O-CB 3.33Å; M131-A135 PolarHBondContact O-N 3.21Å; I132-A135 WeakPolarHBondContact O-CA 3.45Å; I132-A135 WeakPolarHBondContact O-CB 3.48Å; I132-A135 PolarHBondContact O-N 3.27Å; A135-Q138 WeakPolarHBondContact O-CB 3.44Å; A135-Q138 PolarHBondContact O-N 3.47Å; A135-Q138 VanDerWaalsContact O-N 3.13Å; A135-S139 PolarHBondContact O-N 3.05Å |
| 136 | D | 72.3 | Confident | 68 | Low | 74 Ų | 74 | 75.9 Ų | 75.9 | 40% | 0.396 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 176.3 | -67 | -30.2 | 0 | 0 | 0 | 110.7 | I132 Y133 Q138 S139 L140 | I132-D136 WeakPolarHBondContact CG2-OD2 3.45Å; I132-D136 PolarHBondContact O-N 3.03Å; Y133-D136 PolarHBondContact O-N 3.25Å; D136-Q138 VanDerWaalsContact C-N 3.29Å; D136-Q138 PolarHBondContact O-N 2.78Å; D136-S139 WeakPolarHBondContact O-CB 3.4Å; D136-S139 PolarHBondContact O-N 3.03Å; D136-S139 VanDerWaalsContact O-N 3.09Å; D136-S139 PolarHBondContact O-OG 3Å; D136-L140 WeakPolarHBondContact O-CG 3.18Å; D136-L140 PolarHBondContact O-N 2.9Å |
| 137 | L | 69.4 | Low | 65.9 | Low | 57 Ų | 57 | 82.8 Ų | 82.8 | 30% | 0.298 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.2 | -35.8 | 171.5 | -80.7 | 175 | 0 | 0 | 0 | 113.5 | Y133 R141 | Y133-L137 HydrophobicContact CD1-CD1 3.98Å; Y133-L137 HydrophobicContact CE1-CD1 3.45Å; Y133-L137 VanDerWaalsContact CE1-CD1 3.45Å; Y133-L137 HydrophobicContact CE1-CG 4.34Å; Y133-L137 HydrophobicContact CE2-CD1 4.44Å; Y133-L137 WeakPolarHBondContact O-CB 3.33Å; Y133-L137 WeakPolarHBondContact O-CG 3.18Å; Y133-L137 PolarHBondContact O-N 3.08Å; L137-R141 WeakPolarHBondContact O-CB 3.46Å; L137-R141 WeakPolarHBondContact O-CG 3.28Å; L137-R141 PolarHBondContact O-N 3.07Å; L137-R141 VanDerWaalsContact O-N 3.08Å |
| 138 | Q | 66.6 | Low | 63.8 | Low | 118 Ų | 118 | 89.6 Ų | 89.6 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -70.6 | -38.2 | 174.5 | -77.2 | 169.7 | 63.1 | 0 | 0 | 111.8 | A134 A135 D136 R141 L142 | A134-Q138 VanDerWaalsContact O-CG 3.26Å; A134-Q138 WeakPolarHBondContact O-CG 3.47Å; A134-Q138 PolarHBondContact O-N 3.33Å; A134-Q138 PolarHBondContact O-NE2 3.26Å; A135-Q138 WeakPolarHBondContact O-CB 3.44Å; A135-Q138 PolarHBondContact O-N 3.47Å; A135-Q138 VanDerWaalsContact O-N 3.13Å; D136-Q138 VanDerWaalsContact C-N 3.29Å; D136-Q138 PolarHBondContact O-N 2.78Å; Q138-R141 PolarHBondContact O-N 3.16Å; Q138-L142 WeakPolarHBondContact O-CG 3.39Å; Q138-L142 PolarHBondContact O-N 3.3Å |
| 139 | S | 61.8 | Low | 61.8 | Low | 64 Ų | 64 | 89 Ų | 89 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 175.4 | 83.2 | 0 | 0 | 0 | 0 | 111.8 | A135 D136 L142 S143 | A135-S139 PolarHBondContact O-N 3.05Å; D136-S139 WeakPolarHBondContact O-CB 3.4Å; D136-S139 PolarHBondContact O-N 3.03Å; D136-S139 VanDerWaalsContact O-N 3.09Å; D136-S139 PolarHBondContact O-OG 3Å; S139-L142 PolarHBondContact O-N 3.46Å; S139-S143 PolarHBondContact O-N 2.87Å |
| 140 | L | 57.5 | Low | 59.8 | Low | 94 Ų | 94 | 91.8 Ų | 91.8 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 175 | -73.3 | 165.2 | 0 | 0 | 0 | 111.2 | D136 L142 S143 S144 | D136-L140 WeakPolarHBondContact O-CG 3.18Å; D136-L140 PolarHBondContact O-N 2.9Å; L140-L142 VanDerWaalsContact C-N 3.29Å; L140-L142 PolarHBondContact O-N 3.22Å; L140-S143 PolarHBondContact O-N 3.01Å; L140-S143 PolarHBondContact O-OG 3.27Å; L140-S144 PolarHBondContact O-N 3.06Å |
| 141 | R | 56.5 | Low | 57.9 | Low | 116 Ų | 116 | 94.2 Ų | 94.2 | 44% | 0.438 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.5 | -33.2 | 174.7 | -77.1 | 174.1 | 170.3 | -170.9 | -5.2 | 113.4 | L137 Q138 S143 L150 | L137-R141 WeakPolarHBondContact O-CB 3.46Å; L137-R141 WeakPolarHBondContact O-CG 3.28Å; L137-R141 PolarHBondContact O-N 3.07Å; L137-R141 VanDerWaalsContact O-N 3.08Å; Q138-R141 PolarHBondContact O-N 3.16Å; R141-S143 VanDerWaalsContact C-N 3.34Å; R141-L150 PolarHBondContact NH2-O 2.9Å; R141-L150 VanDerWaalsContact NH2-O 3.15Å |
| 142 | L | 56.3 | Low | 56 | Low | 154 Ų | 154 | 93 Ų | 93 | 81% | 0.806 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -76.6 | -20.1 | 174.9 | -72.1 | 167.7 | 0 | 0 | 0 | 113.2 | Q138 S139 L140 | Q138-L142 WeakPolarHBondContact O-CG 3.39Å; Q138-L142 PolarHBondContact O-N 3.3Å; S139-L142 PolarHBondContact O-N 3.46Å; L140-L142 VanDerWaalsContact C-N 3.29Å; L140-L142 PolarHBondContact O-N 3.22Å |
| 143 | S | 51.9 | Low | 54.2 | Low | 90 Ų | 90 | 90 Ų | 90 | 63% | 0.629 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -85.5 | -20.1 | -179.1 | 76.2 | 0 | 0 | 0 | 0 | 114.8 | S139 L140 R141 | S139-S143 PolarHBondContact O-N 2.87Å; L140-S143 PolarHBondContact O-N 3.01Å; L140-S143 PolarHBondContact O-OG 3.27Å; R141-S143 VanDerWaalsContact C-N 3.34Å |
| 144 | S | 45.7 | Very low | 52.6 | Low | 61 Ų | 61 | 91.7 Ų | 91.7 | 43% | 0.427 | 55% | 0.55 | S | S | . | * | trans | -144.8 | 100.3 | -179.7 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | L140 T146 | L140-S144 PolarHBondContact O-N 3.06Å; S144-T146 PolarHBondContact O-N 3.01Å; S144-T146 VanDerWaalsContact O-N 3.15Å | ||
| 145 | P | 46.7 | Very low | 51.2 | Low | 115 Ų | 115 | 95 Ų | 95 | 75% | 0.747 | 56% | 0.562 | S | S | * | * | trans | -84.2 | 24.4 | -173.4 | 35.8 | -37.6 | 0 | 0 | 0 | 114 | ||||
| 146 | T | 42 | Very low | 50 | Low | 109 Ų | 109 | 101.3 Ų | 101.3 | 67% | 0.669 | 58% | 0.58 | S | S | * | * | trans | -134.9 | 50.7 | -173.5 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | S144 | S144-T146 PolarHBondContact O-N 3.01Å; S144-T146 VanDerWaalsContact O-N 3.15Å | ||
| 147 | M | 40.9 | Very low | 49.1 | Very low | 146 Ų | 146 | 100.4 Ų | 100.4 | 72% | 0.719 | 57% | 0.573 | S | S | * | * | trans | -142.9 | 72.8 | 167.2 | -73.9 | -62.7 | -84.6 | 0 | 0 | 110.7 | G149 | M147-G149 PolarHBondContact O-N 3.4Š| ||
| 148 | D | 37.6 | Very low | 48.5 | Very low | 178 Ų | 178 | 100.6 Ų | 100.6 | 95% | 0.952 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 33.2 | 175.1 | -72.4 | -44.7 | 0 | 0 | 0 | 113.8 | ||
| 149 | G | 41 | Very low | 48.4 | Very low | 54 Ų | 54 | 95.6 Ų | 95.6 | 56% | 0.557 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | -5.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | M147 N151 | M147-G149 PolarHBondContact O-N 3.4Å; G149-N151 VanDerWaalsContact C-N 3.26Å; G149-N151 PolarHBondContact O-N 3.29Å |
| 150 | L | 40.2 | Very low | 48.5 | Very low | 109 Ų | 109 | 95 Ų | 95 | 57% | 0.571 | 55% | 0.554 | S | S | * | * | trans | -77.9 | 76.5 | 179.7 | -78.2 | 173.9 | 0 | 0 | 0 | 112.1 | R141 | R141-L150 PolarHBondContact NH2-O 2.9Å; R141-L150 VanDerWaalsContact NH2-O 3.15Å | ||
| 151 | N | 40.5 | Very low | 48.6 | Very low | 71 Ų | 71 | 92.7 Ų | 92.7 | 38% | 0.38 | 55% | 0.552 | S | S | . | * | trans | -32.8 | 121.2 | 177.4 | -175.1 | -10.4 | 0 | 0 | 0 | 113.7 | G149 G153 A154 D358 | G149-N151 VanDerWaalsContact C-N 3.26Å; G149-N151 PolarHBondContact O-N 3.29Å; N151-G153 PolarHBondContact O-N 2.89Å; N151-G153 PolarHBondContact OD1-N 3.27Å; N151-A154 PolarHBondContact O-N 3.25Å; N151-D358 PolarHBondContact ND2-OD2 3.38Å | ||
| 152 | P | 40.6 | Very low | 48.7 | Very low | 111 Ų | 111 | 96.4 Ų | 96.4 | 72% | 0.721 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -57.7 | -17 | 178.9 | -26.4 | 35.4 | 0 | 0 | 0 | 115.2 | A154 | P152-A154 PolarHBondContact O-N 2.91Š|
| 153 | G | 42.6 | Very low | 49.1 | Very low | 32 Ų | 32 | 96.9 Ų | 96.9 | 33% | 0.33 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -59.3 | -23.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N151 I155 K156 | N151-G153 PolarHBondContact O-N 2.89Å; N151-G153 PolarHBondContact OD1-N 3.27Å; G153-I155 PolarHBondContact O-N 2.86Å; G153-K156 WeakPolarHBondContact O-CB 3.34Å; G153-K156 PolarHBondContact O-N 3.04Å |
| 154 | A | 43.9 | Very low | 50.1 | Low | 86 Ų | 86 | 94.1 Ų | 94.1 | 71% | 0.711 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -61.5 | -16.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N151 P152 | N151-A154 PolarHBondContact O-N 3.25Å; P152-A154 PolarHBondContact O-N 2.91Å |
| 155 | I | 47.7 | Very low | 51.8 | Low | 103 Ų | 103 | 92.7 Ų | 92.7 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -92.3 | -1.1 | -179.7 | -59.7 | 172.1 | 0 | 0 | 0 | 111.7 | G153 E157 C158 | G153-I155 PolarHBondContact O-N 2.86Å; I155-E157 PolarHBondContact O-N 3.28Å; I155-C158 PolarHBondContact O-SG 3Å; I155-C158 VanDerWaalsContact O-SG 3.39Å |
| 156 | K | 48.7 | Very low | 53.7 | Low | 185 Ų | 185 | 87.3 Ų | 87.3 | 80% | 0.804 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -15.2 | 179.8 | -83.8 | -172.8 | 171.6 | 180 | 0 | 115.4 | G153 | G153-K156 WeakPolarHBondContact O-CB 3.34Å; G153-K156 PolarHBondContact O-N 3.04Å |
| 157 | E | 52.8 | Low | 55.9 | Low | 56 Ų | 56 | 82.3 Ų | 82.3 | 26% | 0.262 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 47.4 | 178.4 | -67.6 | 178.9 | -117.9 | 0 | 0 | 111.8 | K41 Q130 I155 | K41-E157 VanDerWaalsContact CE-OE1 3.28Å; K41-E157 WeakPolarHBondContact CE-OE1 3.47Å; K41-E157 WeakPolarHBondContact CE-OE2 3.48Å; K41-E157 VanDerWaalsContact NZ-CD 3.31Å; K41-E157 IonicContact NZ-OE1 3.91Å; K41-E157 PolarHBondContact NZ-OE1 2.7Å; K41-E157 IonicContact NZ-OE2 3.66Å; K41-E157 PolarHBondContact NZ-OE2 2.99Å; Q130-E157 PolarHBondContact NE2-O 2.86Å; I155-E157 PolarHBondContact O-N 3.28Å |
| 158 | C | 58.1 | Low | 58.2 | Low | 61 Ų | 61 | 75.3 Ų | 75.3 | 41% | 0.412 | 44% | 0.438 | S | S | . | . | trans | -97.6 | 139.1 | 170.3 | -70 | 0 | 0 | 0 | 0 | 110.9 | I155 A160 | I155-C158 PolarHBondContact O-SG 3Å; I155-C158 VanDerWaalsContact O-SG 3.39Å; C158-A160 PolarHBondContact O-N 3.49Å | ||
| 159 | F | 63.6 | Low | 60.7 | Low | 13 Ų | 13 | 67 Ų | 67 | 6% | 0.057 | 39% | 0.394 | C | S | . | . | trans | -82.4 | 104.8 | 178.7 | 171.2 | -108.6 | 0 | 0 | 0 | 109.6 | L40 K123 G161 D164 L166 | L40-F159 HydrophobicContact CD1-CB 4.38Å; K123-F159 HydrophobicContact CB-CE1 3.95Å; K123-F159 HydrophobicContact CB-CZ 4.42Å; K123-F159 HydrophobicContact CD-CE1 4.39Å; K123-F159 HydrophobicContact CD-CZ 4.08Å; K123-F159 HydrophobicContact CG-CE1 4.38Å; K123-F159 HydrophobicContact CG-CZ 4.38Å; F159-G161 PolarHBondContact O-N 3.14Å; F159-D164 HydrophobicContact CD2-CB 4.13Å; F159-D164 HydrophobicContact CE2-CB 4.27Å; F159-D164 WeakPolarHBondContact CE2-O 3.5Å; F159-L166 HydrophobicContact CD2-CB 4.13Å; F159-L166 HydrophobicContact CD2-CD1 3.96Å; F159-L166 HydrophobicContact CE2-CB 3.66Å; F159-L166 HydrophobicContact CE2-CD1 4.36Å; F159-L166 HydrophobicContact CG-CD1 4.15Å; F159-L166 HydrophobicContact CZ-CB 3.95Å | ||
| 160 | A | 63.4 | Low | 63.1 | Low | 52 Ų | 52 | 65.9 Ų | 65.9 | 43% | 0.43 | 37% | 0.374 | S | S | . | . | trans | -80 | 95.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | C158 E162 K163 D164 | C158-A160 PolarHBondContact O-N 3.49Å; A160-E162 PolarHBondContact O-N 3.27Å; A160-K163 HydrophobicContact CB-CB 4.42Å; A160-K163 PolarHBondContact O-N 2.79Å; A160-D164 PolarHBondContact O-N 3.25Å | ||
| 161 | G | 59.5 | Low | 65.7 | Low | 44 Ų | 44 | 60.7 Ų | 60.7 | 45% | 0.454 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -21.9 | -163.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | F159 | F159-G161 PolarHBondContact O-N 3.14Š|
| 162 | E | 59.1 | Low | 68.4 | Low | 194 Ų | 194 | 57.9 Ų | 57.9 | 91% | 0.907 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -3.7 | 176.9 | -61.8 | -176.2 | 148.8 | 0 | 0 | 114.2 | A160 | A160-E162 PolarHBondContact O-N 3.27Š|
| 163 | K | 64.9 | Low | 71 | Confident | 164 Ų | 164 | 52.6 Ų | 52.6 | 71% | 0.713 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.2 | -30.4 | -169.3 | -65.3 | -169.8 | 178 | -174.6 | 0 | 115.5 | A160 | A160-K163 HydrophobicContact CB-CB 4.42Å; A160-K163 PolarHBondContact O-N 2.79Å |
| 164 | D | 73 | Confident | 73.6 | Confident | 32 Ų | 32 | 51.1 Ų | 51.1 | 17% | 0.171 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -100.4 | 159.3 | 175 | -152.7 | -41.7 | 0 | 0 | 0 | 110.1 | S79 Q80 S81 F159 A160 | S79-D164 WeakPolarHBondContact CB-OD2 3.3Å; Q80-D164 WeakPolarHBondContact CB-OD1 3.49Å; Q80-D164 PolarHBondContact N-OD1 2.93Å; S81-D164 WeakPolarHBondContact CB-OD2 3.47Å; S81-D164 PolarHBondContact OG-OD2 3.45Å; F159-D164 HydrophobicContact CD2-CB 4.13Å; F159-D164 HydrophobicContact CE2-CB 4.27Å; F159-D164 WeakPolarHBondContact CE2-O 3.5Å; A160-D164 PolarHBondContact O-N 3.25Å |
| 165 | S | 81.8 | Confident | 76 | Confident | 32 Ų | 32 | 47.2 Ų | 47.2 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | trans | -107 | 130.9 | 175.4 | -69.5 | 0 | 0 | 0 | 0 | 110.3 | S79 Q80 F167 | S79-S165 CarbonylContact C-O 3.59Å; S79-S165 WeakPolarHBondContact CA-O 3.35Å; Q80-S165 PolarHBondContact N-O 3.25Å; S165-F167 WeakPolarHBondContact O-CD2 3.18Å | ||
| 166 | L | 86.2 | Confident | 78.1 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 129.6 | -179.8 | -166.4 | 68.9 | 0 | 0 | 0 | 110.5 | L40 I77 V117 F122 K123 V126 F159 | L40-L166 HydrophobicContact CD2-CD1 3.96Å; I77-L166 HydrophobicContact CG2-CD1 3.75Å; I77-L166 HydrophobicContact CG2-CD2 4.23Å; I77-L166 HydrophobicContact CG2-CG 4.03Å; V117-L166 HydrophobicContact CB-CB 4.2Å; V117-L166 HydrophobicContact CB-CD2 4.24Å; V117-L166 HydrophobicContact CB-CG 4.33Å; V117-L166 WeakPolarHBondContact CB-O 3.3Å; V117-L166 HydrophobicContact CG1-CD2 4.26Å; V117-L166 HydrophobicContact CG2-CD2 4.3Å; V117-L166 HydrophobicContact CG2-CG 4.21Å; V117-L166 PolarHBondContact N-O 2.91Å; F122-L166 HydrophobicContact CD1-CD2 4.1Å; F122-L166 HydrophobicContact CE1-CD2 4.21Å; K123-L166 HydrophobicContact CG-CD2 4.21Å; V126-L166 HydrophobicContact CB-CD2 4.31Å; V126-L166 HydrophobicContact CG1-CD1 4.42Å; V126-L166 HydrophobicContact CG1-CD2 4.45Å; V126-L166 HydrophobicContact CG2-CD2 4.11Å; F159-L166 HydrophobicContact CD2-CB 4.13Å; F159-L166 HydrophobicContact CD2-CD1 3.96Å; F159-L166 HydrophobicContact CE2-CB 3.66Å; F159-L166 HydrophobicContact CE2-CD1 4.36Å; F159-L166 HydrophobicContact CG-CD1 4.15Å; F159-L166 HydrophobicContact CZ-CB 3.95Å |
| 167 | F | 87.5 | Confident | 79.8 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 154 | 178.2 | -67.6 | -89 | 0 | 0 | 0 | 111.3 | I77 F78 Q80 F85 C114 E115 L116 S165 Y541 | I77-F167 WeakPolarHBondContact CA-O 3.42Å; F78-F167 HydrophobicContact CD2-CB 3.8Å; F78-F167 HydrophobicContact CE2-CB 3.56Å; F78-F167 HydrophobicContact CE2-CG 4.48Å; F78-F167 HydrophobicContact CZ-CB 4.23Å; F78-F167 PolarHBondContact N-O 3.12Å; F78-F167 PolarHBondContact O-N 3.14Å; Q80-F167 HydrophobicContact CB-CD2 4.48Å; Q80-F167 HydrophobicContact CB-CE2 3.97Å; Q80-F167 HydrophobicContact CG-CE2 4.13Å; F85-F167 HydrophobicContact CD2-CD1 4.42Å; F85-F167 AromaticContact CD2-CD2 3.82Å; F85-F167 HydrophobicContact CD2-CD2 3.82Å; F85-F167 HydrophobicContact CD2-CE2 4Å; F85-F167 HydrophobicContact CD2-CG 4.04Å; F85-F167 HydrophobicContact CD2-CZ 4.39Å; F85-F167 HydrophobicContact CE2-CD1 4.03Å; F85-F167 AromaticContact CE2-CD2 3.87Å; F85-F167 HydrophobicContact CE2-CD2 3.87Å; F85-F167 AromaticContact CE2-CE1 3.81Å; F85-F167 HydrophobicContact CE2-CE1 3.81Å; F85-F167 AromaticContact CE2-CE2 3.63Å; F85-F167 HydrophobicContact CE2-CE2 3.63Å; F85-F167 HydrophobicContact CE2-CG 4.07Å; F85-F167 AromaticContact CE2-CZ 3.6Å; F85-F167 HydrophobicContact CE2-CZ 3.6Å; F85-F167 HydrophobicContact CZ-CE2 4.42Å; F85-F167 HydrophobicContact CZ-CZ 4.27Å; C114-F167 HydrophobicContact CB-CB 4.47Å; C114-F167 HydrophobicContact CB-CD1 4.42Å; E115-F167 CarbonylContact O-C 2.97Å; E115-F167 VanDerWaalsContact O-CA 3.26Å; E115-F167 WeakPolarHBondContact O-CA 3.45Å; L116-F167 HydrophobicContact CB-CD1 4.3Å; L116-F167 HydrophobicContact CB-CE1 3.98Å; L116-F167 HydrophobicContact CD1-CD1 4.39Å; L116-F167 HydrophobicContact CD1-CE1 3.89Å; L116-F167 HydrophobicContact CD1-CE2 4.34Å; L116-F167 HydrophobicContact CD1-CZ 3.86Å; S165-F167 WeakPolarHBondContact O-CD2 3.18Å; F167-Y541 HydrophobicContact CE1-CD1 4.04Å; F167-Y541 HydrophobicContact CE1-CD2 4.08Å; F167-Y541 AromaticContact CE1-CG 3.8Å; F167-Y541 HydrophobicContact CE1-CG 3.8Å; F167-Y541 HydrophobicContact CZ-CG 4.21Å |
| 168 | T | 89.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 152.7 | 178.6 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | V16 L75 N76 C114 E115 V117 | V16-T168 HydrophobicContact CG2-CG2 4.31Å; V16-T168 VanDerWaalsContact CG2-OG1 3.23Å; V16-T168 WeakPolarHBondContact CG2-OG1 3.39Å; L75-T168 VanDerWaalsContact CD1-OG1 3.23Å; L75-T168 WeakPolarHBondContact CD1-OG1 3.39Å; N76-T168 WeakPolarHBondContact O-CA 3.4Å; C114-T168 CarbonylContact C-O 3.58Å; C114-T168 VanDerWaalsContact CA-O 3.29Å; C114-T168 WeakPolarHBondContact CA-O 3.41Å; E115-T168 HydrophobicContact CB-CG2 3.98Å; E115-T168 HydrophobicContact CG-CG2 4.41Å; E115-T168 PolarHBondContact N-O 2.89Å; E115-T168 PolarHBondContact O-N 3.41Å; V117-T168 HydrophobicContact CG2-CG2 3.82Å |
| 169 | T | 89.6 | Confident | 82.7 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 135.3 | 167.1 | -44.5 | 0 | 0 | 0 | 0 | 110.5 | M71 N76 F88 L112 | M71-T169 HydrophobicContact CE-CG2 3.76Å; M71-T169 HydrophobicContact SD-CG2 3.86Å; N76-T169 PolarHBondContact N-OG1 3.07Å; N76-T169 PolarHBondContact O-N 3.21Å; N76-T169 PolarHBondContact O-OG1 3.04Å; F88-T169 HydrophobicContact CE1-CG2 4.27Å; L112-T169 HydrophobicContact CD2-CG2 4.34Å; L112-T169 HydrophobicContact CG-CG2 4.5Å |
| 170 | K | 92.1 | Very high | 83.9 | Confident | 31 Ų | 31 | 35.3 Ų | 35.3 | 14% | 0.135 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 157.3 | 169.8 | -155.4 | -167.2 | -166.6 | 95.4 | 0 | 109 | C14 L112 F113 E115 | C14-K170 WeakPolarHBondContact O-CA 3.28Å; C14-K170 VanDerWaalsContact O-CG 3.26Å; C14-K170 WeakPolarHBondContact O-CG 3.35Å; L112-K170 WeakPolarHBondContact CA-O 3.44Å; F113-K170 HydrophobicContact CE2-CB 4.26Å; F113-K170 HydrophobicContact CE2-CD 4.03Å; F113-K170 HydrophobicContact CZ-CB 4.33Å; F113-K170 HydrophobicContact CZ-CD 3.89Å; F113-K170 HydrophobicContact CZ-CG 4.43Å; F113-K170 PolarHBondContact N-O 3.13Å; F113-K170 PolarHBondContact O-N 2.84Å; E115-K170 HydrophobicContact CB-CB 4.04Å; E115-K170 HydrophobicContact CB-CD 4.29Å; E115-K170 IonicContact OE1-NZ 3.29Å; E115-K170 PolarHBondContact OE1-NZ 2.72Å; E115-K170 IonicContact OE2-NZ 3.32Å; E115-K170 PolarHBondContact OE2-NZ 3.26Å |
| 171 | A | 95.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 149 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V13 C14 T70 M71 L111 L112 | V13-A171 CarbonylContact C-O 3.58Å; V13-A171 WeakPolarHBondContact CA-O 3.33Å; C14-A171 HydrophobicContact CB-CB 4.34Å; C14-A171 PolarHBondContact N-O 3.15Å; C14-A171 PolarHBondContact O-N 2.88Å; T70-A171 HydrophobicContact CG2-CB 3.69Å; M71-A171 HydrophobicContact CE-CB 4.11Å; L111-A171 WeakPolarHBondContact O-CA 3.3Å; L112-A171 HydrophobicContact CD1-CB 3.93Å; L112-A171 HydrophobicContact CG-CB 4.09Å |
| 172 | I | 96 | Very high | 86.5 | Confident | 11 Ų | 11 | 32.7 Ų | 32.7 | 6% | 0.056 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 148.7 | 159.8 | 59.3 | 175.9 | 0 | 0 | 0 | 108.2 | F11 Y12 V13 A110 L111 F113 L188 L191 W192 | F11-I172 HydrophobicContact CE2-CB 4.25Å; F11-I172 HydrophobicContact CZ-CB 4.2Å; F11-I172 HydrophobicContact CZ-CG2 4.35Å; Y12-I172 CarbonylContact O-C 3.57Å; Y12-I172 WeakPolarHBondContact O-CA 3.26Å; V13-I172 HydrophobicContact CG1-CG2 4.44Å; V13-I172 HydrophobicContact CG2-CG2 4.32Å; A110-I172 CarbonylContact C-O 3.6Å; A110-I172 WeakPolarHBondContact CA-O 3.48Å; L111-I172 HydrophobicContact CB-CG1 4.05Å; L111-I172 PolarHBondContact N-O 3.22Å; L111-I172 PolarHBondContact O-N 3.32Å; F113-I172 HydrophobicContact CE1-CG1 4.12Å; F113-I172 HydrophobicContact CE1-CG2 4.07Å; F113-I172 HydrophobicContact CZ-CG2 4.24Å; I172-L188 HydrophobicContact CD1-CD2 4.16Å; I172-L188 HydrophobicContact CG1-CD2 4.17Å; I172-L191 HydrophobicContact CD1-CD2 4.38Å; I172-W192 HydrophobicContact CD1-CB 4.29Å |
| 173 | G | 96.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 171.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | F11 Y12 L109 | F11-G173 CarbonylContact C-O 3.55Å; F11-G173 WeakPolarHBondContact CA-O 3.47Å; F11-G173 WeakPolarHBondContact CD2-O 3.5Å; Y12-G173 PolarHBondContact N-O 3.04Å; Y12-G173 PolarHBondContact O-N 3.41Å; L109-G173 CarbonylContact O-C 3.59Å; L109-G173 WeakPolarHBondContact O-CA 3.23Å |
| 174 | L | 96.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142 | -179.9 | -65.2 | 167.5 | 0 | 0 | 0 | 109.3 | I8 Y10 F11 G108 L109 L184 W187 L188 | I8-L174 HydrophobicContact CD1-CB 4.32Å; I8-L174 HydrophobicContact CD1-CD1 4.13Å; I8-L174 HydrophobicContact CD1-CD2 4.2Å; I8-L174 HydrophobicContact CD1-CG 4.46Å; I8-L174 HydrophobicContact CG1-CD2 4.22Å; I8-L174 HydrophobicContact CG2-CD2 3.77Å; Y10-L174 CarbonylContact O-C 3.49Å; Y10-L174 WeakPolarHBondContact O-CA 3.12Å; F11-L174 HydrophobicContact CB-CD2 4.08Å; F11-L174 HydrophobicContact CD2-CD2 3.89Å; F11-L174 HydrophobicContact CG-CD2 4.49Å; G108-L174 WeakPolarHBondContact CA-O 3.44Å; L109-L174 HydrophobicContact CD1-CB 4.5Å; L109-L174 PolarHBondContact N-O 2.95Å; L109-L174 PolarHBondContact O-N 3.06Å; L174-L184 HydrophobicContact CD1-CB 4.08Å; L174-L184 HydrophobicContact CD1-CD2 4.16Å; L174-L184 HydrophobicContact CD1-CG 4.49Å; L174-W187 HydrophobicContact CD1-CE3 4.04Å; L174-W187 HydrophobicContact CD1-CZ3 4.18Å; L174-W187 HydrophobicContact CD2-CZ3 4.14Å; L174-L188 HydrophobicContact CD1-CD1 3.98Å; L174-L188 HydrophobicContact CD1-CD2 4.22Å; L174-L188 HydrophobicContact CD1-CG 3.85Å; L174-L188 HydrophobicContact CG-CD1 4.12Å; L174-L188 HydrophobicContact CG-CD2 4.1Å; L174-L188 HydrophobicContact CG-CG 4.19Å |
| 175 | L | 94.4 | Very high | 90.1 | Very high | 5 Ų | 5 | 14.2 Ų | 14.2 | 3% | 0.026 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.1 | 164.9 | -59.7 | -176 | 0 | 0 | 0 | 108.7 | D9 Y10 Y12 F61 F96 V106 | D9-L175 PolarHBondContact N-O 2.96Å; Y10-L175 HydrophobicContact CD2-CB 4.46Å; Y10-L175 HydrophobicContact CD2-CD1 4.21Å; Y10-L175 PolarHBondContact N-O 3.06Å; Y10-L175 PolarHBondContact O-N 3.18Å; Y12-L175 HydrophobicContact CD1-CD2 4.42Å; Y12-L175 HydrophobicContact CD1-CG 4.02Å; Y12-L175 HydrophobicContact CE1-CD2 3.79Å; Y12-L175 HydrophobicContact CE1-CG 3.86Å; F61-L175 HydrophobicContact CD2-CD1 3.84Å; F61-L175 HydrophobicContact CE2-CD1 3.62Å; F96-L175 HydrophobicContact CE2-CD2 3.78Å; F96-L175 HydrophobicContact CZ-CD2 3.95Å; V106-L175 HydrophobicContact CG1-CB 3.94Å |
| 176 | S | 91.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 138.3 | 179.9 | 178.2 | 0 | 0 | 0 | 0 | 112.7 | V7 D9 H107 H178 | V7-S176 WeakPolarHBondContact O-CB 3.36Å; V7-S176 PolarHBondContact O-OG 3.47Å; D9-S176 WeakPolarHBondContact OD2-CA 3.06Å; H107-S176 WeakPolarHBondContact CB-O 3.41Å; H107-S176 PolarHBondContact N-O 3.29Å; H107-S176 PolarHBondContact ND1-O 2.87Å; H107-S176 PolarHBondContact O-N 3.5Å; S176-H178 PolarHBondContact O-N 3.31Å; S176-H178 PolarHBondContact OG-N 3Å; S176-H178 PolarHBondContact OG-O 2.87Å; S176-H178 VanDerWaalsContact OG-O 3.1Å |
| 177 | R | 86.3 | Confident | 90.8 | Very high | 62 Ų | 62 | 13.3 Ų | 13.3 | 23% | 0.234 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -69.3 | -11.7 | 165.8 | -70.4 | 170 | -67.1 | 120.8 | 5.5 | 113.6 | E5 D9 V106 | E5-R177 IonicContact OE1-CZ 3.9Å; E5-R177 IonicContact OE1-NH1 3.02Å; E5-R177 PolarHBondContact OE1-NH1 2.88Å; E5-R177 IonicContact OE1-NH2 2.66Å; D9-R177 IonicContact OD1-CZ 3.25Å; D9-R177 VanDerWaalsContact OD1-CZ 3.26Å; D9-R177 IonicContact OD1-NE 2.86Å; D9-R177 PolarHBondContact OD1-NE 3.18Å; D9-R177 IonicContact OD1-NH2 3.6Å; D9-R177 PolarHBondContact OD1-NH2 3.2Å; D9-R177 WeakPolarHBondContact OD2-CG 3.33Å; D9-R177 IonicContact OD2-CZ 3.92Å; D9-R177 PolarHBondContact OD2-N 3.15Å; D9-R177 IonicContact OD2-NE 3.28Å; D9-R177 PolarHBondContact OD2-NE 2.85Å; D9-R177 IonicContact OD2-NH2 3.42Å; V106-R177 HydrophobicContact CG2-CG 4.4Å |
| 178 | H | 85.5 | Confident | 91.1 | Very high | 33 Ų | 33 | 13.2 Ų | 13.2 | 15% | 0.153 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -110.8 | 120.6 | -178.7 | -54.3 | -72.6 | 0 | 0 | 0 | 112.1 | S176 F180 | S176-H178 PolarHBondContact O-N 3.31Å; S176-H178 PolarHBondContact OG-N 3Å; S176-H178 PolarHBondContact OG-O 2.87Å; S176-H178 VanDerWaalsContact OG-O 3.1Å; H178-F180 VanDerWaalsContact C-N 3.26Å; H178-F180 HydrophobicContact CB-CD2 3.73Å; H178-F180 HydrophobicContact CB-CE2 3.48Å; H178-F180 VanDerWaalsContact CB-CE2 3.48Å; H178-F180 HydrophobicContact CB-CZ 4.17Å; H178-F180 PolarHBondContact O-N 3.32Å |
| 179 | P | 84.7 | Confident | 91.2 | Very high | 59 Ų | 59 | 13.9 Ų | 13.9 | 38% | 0.383 | 7% | 0.067 | S | C | . | . | trans | -81.4 | 57.7 | -173.1 | 34.1 | -37.4 | 0 | 0 | 0 | 113.7 | I181 | P179-I181 HydrophobicContact CB-CD1 4.37Å; P179-I181 HydrophobicContact CB-CG1 4.25Å; P179-I181 PolarHBondContact O-N 2.91Å | ||
| 180 | F | 88.6 | Confident | 91.2 | Very high | 13 Ų | 13 | 13.8 Ų | 13.8 | 6% | 0.057 | 7% | 0.066 | C | C | . | . | trans | -77.9 | 49.5 | 173.5 | -59.5 | -55.9 | 0 | 0 | 0 | 112.2 | V7 H178 F182 G183 L184 L221 V228 F230 E268 | V7-F180 HydrophobicContact CG1-CD2 3.48Å; V7-F180 VanDerWaalsContact CG1-CD2 3.48Å; V7-F180 HydrophobicContact CG1-CE2 3.66Å; V7-F180 HydrophobicContact CG2-CE2 4.44Å; H178-F180 VanDerWaalsContact C-N 3.26Å; H178-F180 HydrophobicContact CB-CD2 3.73Å; H178-F180 HydrophobicContact CB-CE2 3.48Å; H178-F180 VanDerWaalsContact CB-CE2 3.48Å; H178-F180 HydrophobicContact CB-CZ 4.17Å; H178-F180 PolarHBondContact O-N 3.32Å; F180-F182 VanDerWaalsContact C-N 3.32Å; F180-F182 PolarHBondContact O-N 2.96Å; F180-G183 PolarHBondContact O-N 2.91Å; F180-L184 HydrophobicContact CB-CD1 4.05Å; F180-L184 HydrophobicContact CB-CG 3.97Å; F180-L184 WeakPolarHBondContact O-CB 3.39Å; F180-L184 WeakPolarHBondContact O-CG 3.13Å; F180-L184 PolarHBondContact O-N 2.9Å; F180-L221 HydrophobicContact CE2-CD1 3.92Å; F180-L221 HydrophobicContact CZ-CD1 3.89Å; F180-V228 HydrophobicContact CE2-CG1 4.3Å; F180-V228 HydrophobicContact CZ-CG1 4.35Å; F180-F230 HydrophobicContact CB-CE2 4.12Å; F180-F230 HydrophobicContact CB-CZ 4.02Å; F180-F230 AromaticContact CD2-CZ 3.99Å; F180-F230 HydrophobicContact CD2-CZ 3.99Å; F180-F230 HydrophobicContact CG-CZ 4.12Å; F180-E268 WeakPolarHBondContact CA-OE2 3.38Å | ||
| 181 | I | 89.7 | Confident | 91.1 | Very high | 4 Ų | 4 | 12.5 Ų | 12.5 | 2% | 0.021 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.2 | -38.3 | -163.3 | -55.8 | -56.8 | 0 | 0 | 0 | 113 | H107 L109 P179 F185 E268 Y269 | H107-I181 HydrophobicContact CB-CD1 4.37Å; L109-I181 HydrophobicContact CD1-CD1 4.08Å; L109-I181 HydrophobicContact CD2-CD1 4.39Å; L109-I181 HydrophobicContact CD2-CG2 4.42Å; L109-I181 HydrophobicContact CG-CD1 4.25Å; P179-I181 HydrophobicContact CB-CD1 4.37Å; P179-I181 HydrophobicContact CB-CG1 4.25Å; P179-I181 PolarHBondContact O-N 2.91Å; I181-F185 HydrophobicContact CG2-CD2 3.62Å; I181-F185 HydrophobicContact CG2-CE2 3.6Å; I181-F185 WeakPolarHBondContact O-CB 3.21Å; I181-F185 VanDerWaalsContact O-CD2 3.26Å; I181-F185 WeakPolarHBondContact O-CD2 3.43Å; I181-F185 PolarHBondContact O-N 2.88Å; I181-F185 VanDerWaalsContact O-N 3.15Å; I181-E268 HydrophobicContact CB-CB 4.31Å; I181-E268 PolarHBondContact N-OE2 3.38Å; I181-E268 VanDerWaalsContact N-OE2 3.11Å; I181-Y269 HydrophobicContact CB-CE2 4.44Å; I181-Y269 HydrophobicContact CG1-CD2 4.44Å; I181-Y269 HydrophobicContact CG1-CE2 3.78Å; I181-Y269 HydrophobicContact CG2-CD1 4.31Å; I181-Y269 HydrophobicContact CG2-CE1 3.82Å; I181-Y269 HydrophobicContact CG2-CE2 4.39Å |
| 182 | F | 88.8 | Confident | 91 | Very high | 38 Ų | 38 | 12.6 Ų | 12.6 | 17% | 0.167 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -73.8 | -47.6 | -177.9 | -173.8 | -92 | 0 | 0 | 0 | 111.2 | F180 L184 N186 E268 Y561 L564 | F180-F182 VanDerWaalsContact C-N 3.32Å; F180-F182 PolarHBondContact O-N 2.96Å; F182-L184 PolarHBondContact O-N 3.4Å; F182-N186 VanDerWaalsContact CD1-ND2 3.26Å; F182-N186 WeakPolarHBondContact CD1-ND2 3.45Å; F182-N186 WeakPolarHBondContact CE1-ND2 3.31Å; F182-N186 WeakPolarHBondContact CZ-ND2 3.48Å; F182-N186 PolarHBondContact O-N 3.33Å; F182-N186 PolarHBondContact O-ND2 2.67Å; F182-N186 VanDerWaalsContact O-ND2 3.08Å; F182-E268 HydrophobicContact CB-CB 4.22Å; F182-E268 PolarHBondContact N-OE2 2.96Å; F182-Y561 HydrophobicContact CB-CD2 4.25Å; F182-Y561 HydrophobicContact CB-CE2 4.37Å; F182-Y561 AromaticContact CD1-CD2 3.48Å; F182-Y561 HydrophobicContact CD1-CD2 3.48Å; F182-Y561 VanDerWaalsContact CD1-CD2 3.48Å; F182-Y561 HydrophobicContact CD1-CE2 4.34Å; F182-Y561 HydrophobicContact CD1-CG 4.22Å; F182-Y561 HydrophobicContact CE1-CD2 4.13Å; F182-Y561 HydrophobicContact CE1-CG 4.49Å; F182-Y561 HydrophobicContact CG-CD2 4.14Å; F182-L564 HydrophobicContact CB-CD2 3.8Å; F182-L564 HydrophobicContact CD1-CD2 4.21Å; F182-L564 HydrophobicContact CD2-CD2 3.42Å; F182-L564 VanDerWaalsContact CD2-CD2 3.42Å; F182-L564 HydrophobicContact CE2-CD2 3.97Å; F182-L564 HydrophobicContact CG-CD2 3.55Å |
| 183 | G | 88.5 | Confident | 90.6 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F180 W187 Y238 E268 | F180-G183 PolarHBondContact O-N 2.91Å; G183-W187 PolarHBondContact O-N 3.38Å; G183-W187 VanDerWaalsContact O-N 3.11Å; G183-Y238 WeakPolarHBondContact CA-O 3.36Å; G183-E268 PolarHBondContact N-OE2 3.25Å |
| 184 | L | 92.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -73.5 | -37 | -176.1 | -64.4 | -178.5 | 0 | 0 | 0 | 113.6 | I8 L109 L174 F180 F182 W187 L188 M215 F230 | I8-L184 HydrophobicContact CD1-CD1 3.71Å; I8-L184 HydrophobicContact CD1-CD2 3.81Å; I8-L184 HydrophobicContact CD1-CG 4.41Å; L109-L184 HydrophobicContact CD1-CB 4.37Å; L109-L184 HydrophobicContact CD1-CD1 4.03Å; L109-L184 HydrophobicContact CD2-CB 3.58Å; L174-L184 HydrophobicContact CD1-CB 4.08Å; L174-L184 HydrophobicContact CD1-CD2 4.16Å; L174-L184 HydrophobicContact CD1-CG 4.49Å; F180-L184 HydrophobicContact CB-CD1 4.05Å; F180-L184 HydrophobicContact CB-CG 3.97Å; F180-L184 WeakPolarHBondContact O-CB 3.39Å; F180-L184 WeakPolarHBondContact O-CG 3.13Å; F180-L184 PolarHBondContact O-N 2.9Å; F182-L184 PolarHBondContact O-N 3.4Å; L184-W187 PolarHBondContact O-N 2.96Å; L184-L188 PolarHBondContact O-N 2.52Å; L184-M215 HydrophobicContact CD2-CE 3.13Å; L184-F230 HydrophobicContact CD2-CD1 4.41Å; L184-F230 HydrophobicContact CD2-CD2 3.96Å; L184-F230 HydrophobicContact CD2-CE1 4.2Å; L184-F230 HydrophobicContact CD2-CE2 3.73Å; L184-F230 HydrophobicContact CD2-CG 4.29Å; L184-F230 HydrophobicContact CD2-CZ 3.85Å; L184-F230 HydrophobicContact CG-CE2 4.18Å; L184-F230 HydrophobicContact CG-CZ 4.44Å |
| 185 | F | 91.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 17.3 Ų | 17.3 | 0% | 0.004 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.3 | -43.4 | 172.4 | -90.9 | -53.4 | 0 | 0 | 0 | 112.2 | R93 H94 T95 L109 I181 W187 L188 E189 Y304 | R93-F185 HydrophobicContact CB-CD1 4.05Å; R93-F185 HydrophobicContact CB-CE1 3.64Å; R93-F185 HydrophobicContact CB-CE2 4.35Å; R93-F185 HydrophobicContact CB-CZ 3.8Å; R93-F185 HydrophobicContact CG-CD1 3.74Å; R93-F185 HydrophobicContact CG-CE1 3.89Å; R93-F185 HydrophobicContact CG-CG 4.12Å; R93-F185 HydrophobicContact CG-CZ 4.35Å; H94-F185 WeakPolarHBondContact O-CE1 3.46Å; H94-F185 WeakPolarHBondContact O-CZ 3.49Å; T95-F185 HydrophobicContact CG2-CE2 4.03Å; T95-F185 HydrophobicContact CG2-CZ 3.96Å; L109-F185 HydrophobicContact CB-CE1 4.22Å; L109-F185 HydrophobicContact CB-CZ 4.43Å; L109-F185 HydrophobicContact CD2-CB 4.49Å; L109-F185 HydrophobicContact CD2-CD1 4.11Å; L109-F185 HydrophobicContact CD2-CD2 3.84Å; L109-F185 HydrophobicContact CD2-CE1 4.3Å; L109-F185 HydrophobicContact CD2-CE2 4.06Å; L109-F185 HydrophobicContact CD2-CG 3.87Å; L109-F185 HydrophobicContact CD2-CZ 4.28Å; L109-F185 HydrophobicContact CG-CZ 4.49Å; I181-F185 HydrophobicContact CG2-CD2 3.62Å; I181-F185 HydrophobicContact CG2-CE2 3.6Å; I181-F185 WeakPolarHBondContact O-CB 3.21Å; I181-F185 VanDerWaalsContact O-CD2 3.26Å; I181-F185 WeakPolarHBondContact O-CD2 3.43Å; I181-F185 PolarHBondContact O-N 2.88Å; I181-F185 VanDerWaalsContact O-N 3.15Å; F185-W187 PolarHBondContact O-N 2.96Å; F185-L188 PolarHBondContact O-N 3.12Å; F185-E189 WeakPolarHBondContact O-CG 3.28Å; F185-E189 PolarHBondContact O-N 3.1Å; F185-Y304 HydrophobicContact CE2-CD2 4Å; F185-Y304 HydrophobicContact CE2-CE2 4.12Å; F185-Y304 HydrophobicContact CZ-CD2 4.3Å |
| 186 | N | 90.2 | Very high | 89.1 | Confident | 13 Ų | 13 | 18 Ų | 18 | 7% | 0.07 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.5 | -29.4 | -179.6 | -62.8 | -22.6 | 0 | 0 | 0 | 111.6 | R93 F182 D190 R235 H237 | R93-N186 PolarHBondContact NH2-OD1 3.16Å; F182-N186 VanDerWaalsContact CD1-ND2 3.26Å; F182-N186 WeakPolarHBondContact CD1-ND2 3.45Å; F182-N186 WeakPolarHBondContact CE1-ND2 3.31Å; F182-N186 WeakPolarHBondContact CZ-ND2 3.48Å; F182-N186 PolarHBondContact O-N 3.33Å; F182-N186 PolarHBondContact O-ND2 2.67Å; F182-N186 VanDerWaalsContact O-ND2 3.08Å; N186-D190 PolarHBondContact O-N 3.37Å; N186-R235 PolarHBondContact O-NH2 2.97Å; N186-R235 VanDerWaalsContact O-NH2 3.14Å; N186-H237 WeakPolarHBondContact CB-ND1 3.15Å; N186-H237 PolarHBondContact O-CE1 3.07Å; N186-H237 PolarHBondContact O-NE2 3.33Å |
| 187 | W | 92.7 | Very high | 88.7 | Confident | 3 Ų | 3 | 19.1 Ų | 19.1 | 1% | 0.011 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -71.4 | -43.5 | 171.5 | -177.3 | 95 | 0 | 0 | 0 | 112.5 | L174 G183 L184 F185 E189 D190 L191 I212 M215 F230 S231 T232 | L174-W187 HydrophobicContact CD1-CE3 4.04Å; L174-W187 HydrophobicContact CD1-CZ3 4.18Å; L174-W187 HydrophobicContact CD2-CZ3 4.14Å; G183-W187 PolarHBondContact O-N 3.38Å; G183-W187 VanDerWaalsContact O-N 3.11Å; L184-W187 PolarHBondContact O-N 2.96Å; F185-W187 PolarHBondContact O-N 2.96Å; W187-E189 VanDerWaalsContact C-N 3.33Å; W187-E189 PolarHBondContact O-N 3.32Å; W187-D190 WeakPolarHBondContact O-CB 3.4Å; W187-D190 PolarHBondContact O-N 3.31Å; W187-L191 HydrophobicContact CH2-CD1 4.24Å; W187-L191 HydrophobicContact CH2-CD2 3.85Å; W187-L191 HydrophobicContact CZ2-CD1 4.37Å; W187-L191 HydrophobicContact CZ3-CD2 3.87Å; W187-L191 PolarHBondContact O-N 2.93Å; W187-I212 HydrophobicContact CH2-CG1 4.32Å; W187-M215 HydrophobicContact CD2-CE 4.45Å; W187-M215 HydrophobicContact CD2-CG 4.43Å; W187-M215 HydrophobicContact CD2-SD 4.36Å; W187-M215 HydrophobicContact CH2-CB 4.01Å; W187-M215 HydrophobicContact CH2-CG 3.92Å; W187-M215 HydrophobicContact CZ2-CB 3.55Å; W187-M215 HydrophobicContact CZ2-CG 3.64Å; W187-M215 HydrophobicContact CZ2-SD 4.31Å; W187-M215 HydrophobicContact CZ3-CG 4.41Å; W187-F230 HydrophobicContact CB-CB 4.47Å; W187-F230 HydrophobicContact CG-CB 4.26Å; W187-S231 PolarHBondContact NE1-O 2.97Å; W187-T232 HydrophobicContact CG-CG2 4.14Å |
| 188 | L | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.2 | -38.6 | 173.9 | -80.8 | 172.9 | 0 | 0 | 0 | 112.4 | F11 L109 L111 I172 L174 L184 F185 D190 L191 W192 | F11-L188 HydrophobicContact CE2-CD2 4.19Å; L109-L188 HydrophobicContact CB-CD1 3.98Å; L111-L188 HydrophobicContact CB-CB 4.45Å; L111-L188 HydrophobicContact CD2-CB 4.45Å; I172-L188 HydrophobicContact CD1-CD2 4.16Å; I172-L188 HydrophobicContact CG1-CD2 4.17Å; L174-L188 HydrophobicContact CD1-CD1 3.98Å; L174-L188 HydrophobicContact CD1-CD2 4.22Å; L174-L188 HydrophobicContact CD1-CG 3.85Å; L174-L188 HydrophobicContact CG-CD1 4.12Å; L174-L188 HydrophobicContact CG-CD2 4.1Å; L174-L188 HydrophobicContact CG-CG 4.19Å; L184-L188 PolarHBondContact O-N 2.52Å; F185-L188 PolarHBondContact O-N 3.12Å; L188-D190 VanDerWaalsContact C-N 3.29Å; L188-D190 PolarHBondContact O-N 2.91Å; L188-L191 PolarHBondContact O-N 3.15Å; L188-W192 PolarHBondContact O-N 3.01Å |
| 189 | E | 91.5 | Very high | 86 | Confident | 15 Ų | 15 | 22.7 Ų | 22.7 | 7% | 0.07 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64 | -32.9 | 175 | -78.2 | 178.9 | 178.9 | 0 | 0 | 112.8 | R93 L111 F185 W187 A193 I552 | R93-E189 IonicContact CZ-OE1 3.74Å; R93-E189 IonicContact CZ-OE2 2.74Å; R93-E189 IonicContact NE-OE1 3.47Å; R93-E189 PolarHBondContact NE-OE1 2.97Å; R93-E189 IonicContact NH2-OE1 3.2Å; R93-E189 PolarHBondContact NH2-OE1 3.38Å; R93-E189 IonicContact NH2-OE2 2.66Å; R93-E189 PolarHBondContact NH2-OE2 2.95Å; L111-E189 HydrophobicContact CD1-CG 3.93Å; L111-E189 HydrophobicContact CD2-CG 4.19Å; F185-E189 WeakPolarHBondContact O-CG 3.28Å; F185-E189 PolarHBondContact O-N 3.1Å; W187-E189 VanDerWaalsContact C-N 3.33Å; W187-E189 PolarHBondContact O-N 3.32Å; E189-A193 VanDerWaalsContact O-CB 3.3Å; E189-A193 WeakPolarHBondContact O-CB 2.85Å; E189-A193 PolarHBondContact O-N 3.45Å; E189-I552 HydrophobicContact CB-CG2 3.91Å |
| 190 | D | 90.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.7 | -43.4 | 171.2 | -93.3 | -19.2 | 0 | 0 | 0 | 112.7 | N186 W187 L188 W192 A193 M194 T232 F234 R235 H237 | N186-D190 PolarHBondContact O-N 3.37Å; W187-D190 WeakPolarHBondContact O-CB 3.4Å; W187-D190 PolarHBondContact O-N 3.31Å; L188-D190 VanDerWaalsContact C-N 3.29Å; L188-D190 PolarHBondContact O-N 2.91Å; D190-W192 VanDerWaalsContact C-N 3.26Å; D190-W192 PolarHBondContact O-N 3.03Å; D190-A193 CarbonylContact O-C 3.57Å; D190-A193 WeakPolarHBondContact O-CA 3.44Å; D190-A193 WeakPolarHBondContact O-CB 3.45Å; D190-A193 PolarHBondContact O-N 3.44Å; D190-M194 WeakPolarHBondContact O-CG 3.33Å; D190-M194 PolarHBondContact O-N 2.91Å; D190-T232 HydrophobicContact CB-CG2 3.66Å; D190-T232 WeakPolarHBondContact OD2-CG2 3.25Å; D190-T232 PolarHBondContact OD2-OG1 3.11Å; D190-F234 HydrophobicContact CB-CD2 4.34Å; D190-R235 IonicContact OD1-CZ 3.82Å; D190-R235 VanDerWaalsContact OD1-CZ 3.28Å; D190-R235 IonicContact OD1-NH1 2.78Å; D190-R235 PolarHBondContact OD1-NH1 3.43Å; D190-R235 IonicContact OD1-NH2 3.89Å; D190-R235 VanDerWaalsContact OD2-CG 3.25Å; D190-R235 WeakPolarHBondContact OD2-CG 3.34Å; D190-R235 IonicContact OD2-CZ 3.25Å; D190-R235 IonicContact OD2-NE 2.99Å; D190-R235 IonicContact OD2-NH1 2.89Å; D190-R235 IonicContact OD2-NH2 3.07Å; D190-H237 IonicContact OD2-CE1 3.5Å; D190-H237 PolarHBondContact OD2-CE1 3.1Å; D190-H237 VanDerWaalsContact OD2-CE1 3.32Å; D190-H237 IonicContact OD2-NE2 3.67Å; D190-H237 PolarHBondContact OD2-NE2 3.42Å |
| 191 | L | 90.9 | Very high | 82.8 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.6 | -40.1 | 178.1 | -161.5 | 74.7 | 0 | 0 | 0 | 110.7 | F11 I172 W187 L188 M194 L208 C211 I212 | F11-L191 HydrophobicContact CE2-CD2 3.6Å; F11-L191 HydrophobicContact CZ-CD2 3.89Å; I172-L191 HydrophobicContact CD1-CD2 4.38Å; W187-L191 HydrophobicContact CH2-CD1 4.24Å; W187-L191 HydrophobicContact CH2-CD2 3.85Å; W187-L191 HydrophobicContact CZ2-CD1 4.37Å; W187-L191 HydrophobicContact CZ3-CD2 3.87Å; W187-L191 PolarHBondContact O-N 2.93Å; L188-L191 PolarHBondContact O-N 3.15Å; L191-M194 HydrophobicContact CD1-SD 4.42Å; L191-L208 HydrophobicContact CD1-CD1 4.28Å; L191-L208 HydrophobicContact CD1-CG 3.92Å; L191-L208 HydrophobicContact CG-CD1 4.21Å; L191-L208 HydrophobicContact CG-CG 4.28Å; L191-C211 HydrophobicContact CD1-CB 4.18Å; L191-I212 HydrophobicContact CD1-CG1 4.17Å; L191-I212 HydrophobicContact CD2-CD1 4.17Å; L191-I212 HydrophobicContact CD2-CG1 3.94Å |
| 192 | W | 91.2 | Very high | 80.9 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64 | -44.9 | 169.1 | 179.9 | 87.8 | 0 | 0 | 0 | 112 | P91 L111 F113 I172 L188 D190 M194 M195 Y196 C545 A548 A549 I552 | P91-W192 HydrophobicContact CB-CD2 4.14Å; P91-W192 HydrophobicContact CB-CG 4.44Å; P91-W192 HydrophobicContact CG-CD2 3.93Å; P91-W192 HydrophobicContact CG-CE3 3.85Å; P91-W192 HydrophobicContact CG-CH2 4.11Å; P91-W192 HydrophobicContact CG-CZ2 4.17Å; P91-W192 HydrophobicContact CG-CZ3 3.94Å; L111-W192 HydrophobicContact CD2-CB 3.67Å; L111-W192 HydrophobicContact CD2-CG 4.08Å; F113-W192 AromaticContact CD1-CD1 3.72Å; F113-W192 AromaticContact CD1-NE1 3.93Å; F113-W192 AromaticContact CD2-NE1 3.71Å; F113-W192 AromaticContact CE1-CD1 3.97Å; F113-W192 AromaticContact CG-CD1 3.8Å; F113-W192 AromaticContact CG-NE1 3.52Å; I172-W192 HydrophobicContact CD1-CB 4.29Å; L188-W192 PolarHBondContact O-N 3.01Å; D190-W192 VanDerWaalsContact C-N 3.26Å; D190-W192 PolarHBondContact O-N 3.03Å; W192-M194 VanDerWaalsContact C-N 3.28Å; W192-M194 PolarHBondContact O-N 2.84Å; W192-M195 VanDerWaalsContact O-CB 3.3Å; W192-M195 WeakPolarHBondContact O-CB 3.14Å; W192-M195 PolarHBondContact O-N 2.61Å; W192-Y196 HydrophobicContact CD2-CD2 4.3Å; W192-Y196 AromaticContact CD2-CE2 3.95Å; W192-Y196 HydrophobicContact CD2-CE2 3.95Å; W192-Y196 AromaticContact CE2-CE2 3.39Å; W192-Y196 HydrophobicContact CG-CE2 4.3Å; W192-Y196 HydrophobicContact CH2-CD2 4.36Å; W192-Y196 HydrophobicContact CH2-CE2 4.33Å; W192-Y196 HydrophobicContact CZ2-CD2 4.08Å; W192-Y196 AromaticContact CZ2-CE2 3.61Å; W192-Y196 HydrophobicContact CZ2-CE2 3.61Å; W192-Y196 AromaticContact NE1-CE2 3.44Å; W192-Y196 AromaticContact NE1-CZ 3.94Å; W192-Y196 WeakPolarHBondContact O-CD2 3.36Å; W192-C545 HydrophobicContact CH2-CB 3.86Å; W192-C545 HydrophobicContact CZ2-CB 3.89Å; W192-A548 HydrophobicContact CH2-CB 4.19Å; W192-A548 HydrophobicContact CZ3-CB 4.44Å; W192-A549 HydrophobicContact CZ3-CB 4.1Å; W192-I552 HydrophobicContact CE3-CD1 4.12Å; W192-I552 HydrophobicContact CZ3-CD1 3.91Å |
| 193 | A | 89.5 | Confident | 79.1 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.2 | -32.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E189 D190 M195 Y196 I197 F234 A549 I553 | E189-A193 VanDerWaalsContact O-CB 3.3Å; E189-A193 WeakPolarHBondContact O-CB 2.85Å; E189-A193 PolarHBondContact O-N 3.45Å; D190-A193 CarbonylContact O-C 3.57Å; D190-A193 WeakPolarHBondContact O-CA 3.44Å; D190-A193 WeakPolarHBondContact O-CB 3.45Å; D190-A193 PolarHBondContact O-N 3.44Å; A193-M195 PolarHBondContact O-N 3.39Å; A193-Y196 PolarHBondContact O-N 3Å; A193-I197 WeakPolarHBondContact O-CG1 3.23Å; A193-I197 PolarHBondContact O-N 2.81Å; A193-F234 HydrophobicContact CB-CE2 4.29Å; A193-A549 HydrophobicContact CB-CB 3.74Å; A193-I553 HydrophobicContact CB-CD1 3.84Å; A193-I553 HydrophobicContact CB-CG1 4.21Å |
| 194 | M | 86.7 | Confident | 77.7 | Confident | 22 Ų | 22 | 44 Ų | 44 | 11% | 0.108 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.1 | -31.9 | 172.5 | -71.5 | 178.1 | 65.7 | 0 | 0 | 112.3 | D190 L191 W192 Y196 L208 P233 F234 | D190-M194 WeakPolarHBondContact O-CG 3.33Å; D190-M194 PolarHBondContact O-N 2.91Å; L191-M194 HydrophobicContact CD1-SD 4.42Å; W192-M194 VanDerWaalsContact C-N 3.28Å; W192-M194 PolarHBondContact O-N 2.84Å; M194-Y196 VanDerWaalsContact C-N 3.26Å; M194-Y196 PolarHBondContact O-N 2.96Å; M194-L208 HydrophobicContact CE-CB 4.2Å; M194-P233 HydrophobicContact CE-CG 3.85Å; M194-P233 HydrophobicContact SD-CG 3.92Å; M194-F234 HydrophobicContact CB-CE2 4.29Å; M194-F234 HydrophobicContact CG-CD2 4.27Å; M194-F234 HydrophobicContact CG-CE2 3.39Å; M194-F234 HydrophobicContact CG-CZ 3.82Å |
| 195 | M | 85.3 | Confident | 76.1 | Confident | 90 Ų | 90 | 52.7 Ų | 52.7 | 44% | 0.443 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -20.8 | -177.9 | -57.6 | 171.6 | 62 | 0 | 0 | 113.7 | F113 W192 A193 L208 | F113-M195 HydrophobicContact CE2-CE 4.44Å; F113-M195 HydrophobicContact CZ-CE 4.47Å; W192-M195 VanDerWaalsContact O-CB 3.3Å; W192-M195 WeakPolarHBondContact O-CB 3.14Å; W192-M195 PolarHBondContact O-N 2.61Å; A193-M195 PolarHBondContact O-N 3.39Å; M195-L208 HydrophobicContact CG-CD1 3.88Å |
| 196 | Y | 83.1 | Confident | 74.9 | Confident | 18 Ų | 18 | 55 Ų | 55 | 7% | 0.071 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 8.9 | -175.1 | -54.2 | -95.1 | 0 | 0 | 0 | 113.6 | W192 A193 M194 Y541 F542 C545 S546 | W192-Y196 HydrophobicContact CD2-CD2 4.3Å; W192-Y196 AromaticContact CD2-CE2 3.95Å; W192-Y196 HydrophobicContact CD2-CE2 3.95Å; W192-Y196 AromaticContact CE2-CE2 3.39Å; W192-Y196 HydrophobicContact CG-CE2 4.3Å; W192-Y196 HydrophobicContact CH2-CD2 4.36Å; W192-Y196 HydrophobicContact CH2-CE2 4.33Å; W192-Y196 HydrophobicContact CZ2-CD2 4.08Å; W192-Y196 AromaticContact CZ2-CE2 3.61Å; W192-Y196 HydrophobicContact CZ2-CE2 3.61Å; W192-Y196 AromaticContact NE1-CE2 3.44Å; W192-Y196 AromaticContact NE1-CZ 3.94Å; W192-Y196 WeakPolarHBondContact O-CD2 3.36Å; A193-Y196 PolarHBondContact O-N 3Å; M194-Y196 VanDerWaalsContact C-N 3.26Å; M194-Y196 PolarHBondContact O-N 2.96Å; Y196-Y541 HydrophobicContact CE1-CE1 4.03Å; Y196-Y541 PolarHBondContact OH-OH 2.79Å; Y196-F542 AromaticContact CD1-CD2 3.84Å; Y196-F542 HydrophobicContact CD1-CD2 3.84Å; Y196-F542 HydrophobicContact CD1-CE2 4.04Å; Y196-C545 HydrophobicContact CD1-CB 3.3Å; Y196-C545 HydrophobicContact CD2-CB 4.17Å; Y196-C545 HydrophobicContact CE1-CB 3.37Å; Y196-C545 HydrophobicContact CE2-CB 4.28Å; Y196-C545 HydrophobicContact CG-CB 3.71Å; Y196-S546 VanDerWaalsContact O-CB 3.24Å; Y196-S546 WeakPolarHBondContact O-CB 3.49Å; Y196-S546 PolarHBondContact O-OG 3.26Å |
| 197 | I | 81.3 | Confident | 74.5 | Confident | 24 Ų | 24 | 58 Ų | 58 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -114.1 | 120.8 | 178.7 | -69.7 | 173.6 | 0 | 0 | 0 | 108.7 | A193 I204 F234 A549 K550 I553 | A193-I197 WeakPolarHBondContact O-CG1 3.23Å; A193-I197 PolarHBondContact O-N 2.81Å; I197-I204 HydrophobicContact CG2-CD1 4.12Å; I197-F234 HydrophobicContact CB-CZ 4.46Å; I197-F234 HydrophobicContact CD1-CZ 4.01Å; I197-F234 HydrophobicContact CG2-CZ 4.42Å; I197-A549 HydrophobicContact CD1-CB 3.96Å; I197-A549 HydrophobicContact CG1-CB 4.13Å; I197-K550 HydrophobicContact CD1-CG 4.4Å; I197-I553 HydrophobicContact CD1-CD1 3.23Å |
| 198 | S | 62.4 | Low | 74.1 | Confident | 68 Ų | 68 | 60.4 Ų | 60.4 | 48% | 0.476 | 33% | 0.329 | S | S | . | . | trans | -62.6 | 132.7 | -173.9 | -178 | 0 | 0 | 0 | 0 | 111.7 | N200 T201 | S198-N200 PolarHBondContact O-N 3.29Å; S198-T201 PolarHBondContact O-N 2.91Å; S198-T201 PolarHBondContact O-OG1 3.15Å | ||
| 199 | P | 54.3 | Low | 73.8 | Confident | 103 Ų | 103 | 66.5 Ų | 66.5 | 67% | 0.669 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -2.2 | -179.4 | 27.9 | -36.4 | 0 | 0 | 0 | 114.3 | T201 | P199-T201 PolarHBondContact O-N 3.19Š|
| 200 | N | 50.9 | Low | 73.5 | Confident | 150 Ų | 150 | 69.8 Ų | 69.8 | 80% | 0.802 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -3.7 | 173.6 | -73.1 | -22.3 | 0 | 0 | 0 | 113.6 | S198 | S198-N200 PolarHBondContact O-N 3.29Š|
| 201 | T | 53.5 | Low | 73.4 | Confident | 70 Ų | 70 | 70.2 Ų | 70.2 | 43% | 0.429 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -77.3 | 122.3 | 165.6 | 49.2 | 0 | 0 | 0 | 0 | 110.2 | S198 P199 C203 I204 | S198-T201 PolarHBondContact O-N 2.91Å; S198-T201 PolarHBondContact O-OG1 3.15Å; P199-T201 PolarHBondContact O-N 3.19Å; T201-C203 PolarHBondContact O-N 3.38Å; T201-I204 PolarHBondContact O-N 3.29Å |
| 202 | K | 50.5 | Low | 73.4 | Confident | 204 Ų | 204 | 70.8 Ų | 70.8 | 89% | 0.887 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -2 | -173.1 | -68.7 | -176.4 | 175.6 | -179.4 | 0 | 116.7 | ||
| 203 | C | 50.4 | Low | 73.4 | Confident | 100 Ų | 100 | 74.6 Ų | 74.6 | 68% | 0.676 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -26.1 | -177.6 | -57 | 0 | 0 | 0 | 0 | 113.8 | T201 Q205 | T201-C203 PolarHBondContact O-N 3.38Å; C203-Q205 PolarHBondContact O-N 3.07Å; C203-Q205 VanDerWaalsContact O-N 3.11Å |
| 204 | I | 58.9 | Low | 73.3 | Confident | 38 Ų | 38 | 77.1 Ų | 77.1 | 20% | 0.195 | 41% | 0.41 | C | S | . | . | trans | -86.5 | 89.4 | -172.5 | -51.8 | 179.1 | 0 | 0 | 0 | 109.7 | I197 T201 S206 P233 F234 | I197-I204 HydrophobicContact CG2-CD1 4.12Å; T201-I204 PolarHBondContact O-N 3.29Å; I204-S206 WeakPolarHBondContact CG2-O 3.46Å; I204-P233 HydrophobicContact CG2-CB 4.41Å; I204-F234 HydrophobicContact CD1-CE1 3.9Å; I204-F234 HydrophobicContact CD1-CZ 4.03Å; I204-F234 HydrophobicContact CG1-CE1 4.11Å | ||
| 205 | Q | 59.2 | Low | 73.5 | Confident | 181 Ų | 181 | 76.3 Ų | 76.3 | 85% | 0.846 | 41% | 0.406 | S | S | * | . | trans | -90.9 | -27.3 | 174.4 | -65.7 | -171.2 | -3.5 | 0 | 0 | 113.4 | C203 | C203-Q205 PolarHBondContact O-N 3.07Å; C203-Q205 VanDerWaalsContact O-N 3.11Å | ||
| 206 | S | 66.7 | Low | 73.7 | Confident | 49 Ų | 49 | 72.1 Ų | 72.1 | 34% | 0.343 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -91.8 | 140.4 | 177.3 | -48 | 0 | 0 | 0 | 0 | 111.2 | I204 | I204-S206 WeakPolarHBondContact CG2-O 3.46Š|
| 207 | T | 81.4 | Confident | 73.9 | Confident | 76 Ų | 76 | 75.4 Ų | 75.4 | 47% | 0.466 | 40% | 0.401 | S | S | . | . | trans | -80.6 | 166.1 | 172.3 | 80 | 0 | 0 | 0 | 0 | 111.2 | E209 Q210 C211 | T207-E209 VanDerWaalsContact C-N 3.27Å; T207-E209 WeakPolarHBondContact CB-OE2 3.35Å; T207-E209 PolarHBondContact O-N 3.33Å; T207-E209 PolarHBondContact OG1-OE2 2.93Å; T207-Q210 WeakPolarHBondContact O-CB 3.36Å; T207-Q210 PolarHBondContact O-N 3.28Å; T207-Q210 PolarHBondContact OG1-N 2.97Å; T207-C211 PolarHBondContact O-N 3.28Å; T207-C211 VanDerWaalsContact O-N 3.13Å; T207-C211 PolarHBondContact O-SG 2.76Å | ||
| 208 | L | 84.2 | Confident | 74.1 | Confident | 54 Ų | 54 | 79.4 Ų | 79.4 | 28% | 0.283 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.6 | -37.1 | 178.1 | 178.8 | 141.5 | 0 | 0 | 0 | 111.5 | L191 M194 M195 C211 I212 | L191-L208 HydrophobicContact CD1-CD1 4.28Å; L191-L208 HydrophobicContact CD1-CG 3.92Å; L191-L208 HydrophobicContact CG-CD1 4.21Å; L191-L208 HydrophobicContact CG-CG 4.28Å; M194-L208 HydrophobicContact CE-CB 4.2Å; M195-L208 HydrophobicContact CG-CD1 3.88Å; L208-C211 PolarHBondContact O-N 3.09Å; L208-I212 HydrophobicContact CD2-CD1 3.64Å; L208-I212 HydrophobicContact CG-CD1 4.4Å; L208-I212 WeakPolarHBondContact O-CG1 3.49Å; L208-I212 PolarHBondContact O-N 3.28Å; L208-I212 VanDerWaalsContact O-N 3.13Å |
| 209 | E | 87 | Confident | 75.3 | Confident | 128 Ų | 128 | 77.2 Ų | 77.2 | 60% | 0.598 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -66.6 | -38.2 | 175.3 | -50.8 | 80 | -177.8 | 0 | 0 | 111.8 | T207 I212 H213 | T207-E209 VanDerWaalsContact C-N 3.27Å; T207-E209 WeakPolarHBondContact CB-OE2 3.35Å; T207-E209 PolarHBondContact O-N 3.33Å; T207-E209 PolarHBondContact OG1-OE2 2.93Å; E209-I212 PolarHBondContact O-N 3.31Å; E209-H213 WeakPolarHBondContact O-CB 3.22Å; E209-H213 PolarHBondContact O-N 2.66Å |
| 210 | Q | 85.9 | Confident | 76.7 | Confident | 85 Ų | 85 | 76.9 Ų | 76.9 | 40% | 0.397 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 174.8 | -172.2 | 66.7 | 52.7 | 0 | 0 | 110.9 | T207 I212 H213 D214 | T207-Q210 WeakPolarHBondContact O-CB 3.36Å; T207-Q210 PolarHBondContact O-N 3.28Å; T207-Q210 PolarHBondContact OG1-N 2.97Å; Q210-I212 VanDerWaalsContact C-N 3.34Å; Q210-I212 PolarHBondContact O-N 2.69Å; Q210-H213 WeakPolarHBondContact O-CB 3.31Å; Q210-H213 PolarHBondContact O-N 2.6Å; Q210-D214 PolarHBondContact NE2-OD1 3.42Å; Q210-D214 PolarHBondContact NE2-OD2 3.29Å; Q210-D214 WeakPolarHBondContact O-CB 3.42Å; Q210-D214 PolarHBondContact O-N 2.77Å |
| 211 | C | 88.3 | Confident | 78.2 | Confident | 8 Ų | 8 | 71.3 Ų | 71.3 | 5% | 0.054 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 177.1 | -65.5 | 0 | 0 | 0 | 0 | 112.5 | L191 T207 L208 M215 | L191-C211 HydrophobicContact CD1-CB 4.18Å; T207-C211 PolarHBondContact O-N 3.28Å; T207-C211 VanDerWaalsContact O-N 3.13Å; T207-C211 PolarHBondContact O-SG 2.76Å; L208-C211 PolarHBondContact O-N 3.09Å; C211-M215 VanDerWaalsContact O-CB 3.29Å; C211-M215 WeakPolarHBondContact O-CB 3.36Å; C211-M215 PolarHBondContact O-N 2.76Å; C211-M215 VanDerWaalsContact O-N 3.15Å |
| 212 | I | 91.4 | Very high | 79.4 | Confident | 18 Ų | 18 | 69.3 Ų | 69.3 | 9% | 0.092 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 174.3 | -65 | 162.5 | 0 | 0 | 0 | 110.9 | F11 W187 L191 L208 E209 Q210 M215 L216 | F11-I212 HydrophobicContact CB-CG2 4.23Å; F11-I212 HydrophobicContact CD1-CD1 4.15Å; F11-I212 HydrophobicContact CD1-CG1 4.45Å; F11-I212 HydrophobicContact CD1-CG2 3.92Å; F11-I212 HydrophobicContact CE1-CD1 3.67Å; F11-I212 HydrophobicContact CE1-CG1 4.33Å; F11-I212 HydrophobicContact CG-CG2 4.07Å; F11-I212 HydrophobicContact CZ-CD1 3.88Å; F11-I212 HydrophobicContact CZ-CG1 4.38Å; W187-I212 HydrophobicContact CH2-CG1 4.32Å; L191-I212 HydrophobicContact CD1-CG1 4.17Å; L191-I212 HydrophobicContact CD2-CD1 4.17Å; L191-I212 HydrophobicContact CD2-CG1 3.94Å; L208-I212 HydrophobicContact CD2-CD1 3.64Å; L208-I212 HydrophobicContact CG-CD1 4.4Å; L208-I212 WeakPolarHBondContact O-CG1 3.49Å; L208-I212 PolarHBondContact O-N 3.28Å; L208-I212 VanDerWaalsContact O-N 3.13Å; E209-I212 PolarHBondContact O-N 3.31Å; Q210-I212 VanDerWaalsContact C-N 3.34Å; Q210-I212 PolarHBondContact O-N 2.69Å; I212-M215 PolarHBondContact O-N 2.87Å; I212-L216 HydrophobicContact CG2-CD1 3.8Å; I212-L216 HydrophobicContact CG2-CG 4.4Å; I212-L216 WeakPolarHBondContact O-CB 3.25Å; I212-L216 WeakPolarHBondContact O-CG 3.37Å; I212-L216 PolarHBondContact O-N 3Å |
| 213 | H | 90 | Very high | 80.3 | Confident | 80 Ų | 80 | 64.1 Ų | 64.1 | 37% | 0.37 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.3 | -50.4 | 176.9 | 172.7 | -80.1 | 0 | 0 | 0 | 111.8 | E209 Q210 M215 L216 F217 | E209-H213 WeakPolarHBondContact O-CB 3.22Å; E209-H213 PolarHBondContact O-N 2.66Å; Q210-H213 WeakPolarHBondContact O-CB 3.31Å; Q210-H213 PolarHBondContact O-N 2.6Å; H213-M215 VanDerWaalsContact C-N 3.3Å; H213-M215 PolarHBondContact O-N 2.9Å; H213-L216 PolarHBondContact O-N 3.39Å; H213-F217 AromaticContact CD2-CD2 3.57Å; H213-F217 AromaticContact NE2-CD2 3.84Å; H213-F217 VanDerWaalsContact O-CD2 3.32Å; H213-F217 WeakPolarHBondContact O-CD2 3.43Å; H213-F217 PolarHBondContact O-N 2.71Å |
| 214 | D | 88.4 | Confident | 81.1 | Confident | 54 Ų | 54 | 63 Ų | 63 | 29% | 0.289 | 32% | 0.324 | S | S | . | . | I | π-helix | trans | -63.4 | -39.9 | -177.3 | -62.8 | -16 | 0 | 0 | 0 | 110.8 | Q210 L216 E218 T219 | Q210-D214 PolarHBondContact NE2-OD1 3.42Å; Q210-D214 PolarHBondContact NE2-OD2 3.29Å; Q210-D214 WeakPolarHBondContact O-CB 3.42Å; Q210-D214 PolarHBondContact O-N 2.77Å; D214-L216 PolarHBondContact O-N 3.38Å; D214-E218 CarbonylContact O-C 3.53Å; D214-E218 WeakPolarHBondContact O-CA 3.42Å; D214-E218 WeakPolarHBondContact O-CB 3.26Å; D214-E218 PolarHBondContact O-N 2.89Å; D214-T219 PolarHBondContact O-N 3.05Å; D214-T219 PolarHBondContact O-OG1 3.13Å |
| 215 | M | 90.3 | Very high | 81.5 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.02 | 33% | 0.328 | C | S | . | . | I | π-helix | trans | -65.8 | -33.6 | 176.7 | -167.5 | 66.9 | -178.5 | 0 | 0 | 113.8 | I8 L184 W187 C211 I212 H213 T219 F230 | I8-M215 HydrophobicContact CD1-CE 4.09Å; I8-M215 HydrophobicContact CG1-CE 3.78Å; I8-M215 HydrophobicContact CG1-CG 4.13Å; L184-M215 HydrophobicContact CD2-CE 3.13Å; W187-M215 HydrophobicContact CD2-CE 4.45Å; W187-M215 HydrophobicContact CD2-CG 4.43Å; W187-M215 HydrophobicContact CD2-SD 4.36Å; W187-M215 HydrophobicContact CH2-CB 4.01Å; W187-M215 HydrophobicContact CH2-CG 3.92Å; W187-M215 HydrophobicContact CZ2-CB 3.55Å; W187-M215 HydrophobicContact CZ2-CG 3.64Å; W187-M215 HydrophobicContact CZ2-SD 4.31Å; W187-M215 HydrophobicContact CZ3-CG 4.41Å; C211-M215 VanDerWaalsContact O-CB 3.29Å; C211-M215 WeakPolarHBondContact O-CB 3.36Å; C211-M215 PolarHBondContact O-N 2.76Å; C211-M215 VanDerWaalsContact O-N 3.15Å; I212-M215 PolarHBondContact O-N 2.87Å; H213-M215 VanDerWaalsContact C-N 3.3Å; H213-M215 PolarHBondContact O-N 2.9Å; M215-T219 HydrophobicContact SD-CG2 4.36Å; M215-F230 HydrophobicContact CE-CB 4.03Å; M215-F230 HydrophobicContact CE-CD1 3.47Å; M215-F230 VanDerWaalsContact CE-CD1 3.47Å; M215-F230 HydrophobicContact CE-CD2 4.46Å; M215-F230 HydrophobicContact CE-CE1 3.97Å; M215-F230 HydrophobicContact CE-CG 3.74Å; M215-F230 HydrophobicContact SD-CB 3.96Å; M215-F230 HydrophobicContact SD-CD1 3.84Å; M215-F230 HydrophobicContact SD-CG 4.19Å |
| 216 | L | 89.6 | Confident | 82.2 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -83.9 | -38.2 | 178.9 | -71.9 | 173.3 | 0 | 0 | 0 | 113.1 | Q6 I8 F11 F52 I212 H213 D214 | Q6-L216 PolarHBondContact NE2-O 3.12Å; I8-L216 HydrophobicContact CB-CD2 4.15Å; I8-L216 HydrophobicContact CG2-CD2 3.57Å; F11-L216 HydrophobicContact CB-CD1 4.37Å; F11-L216 HydrophobicContact CB-CD2 4.31Å; F52-L216 HydrophobicContact CB-CD1 3.77Å; F52-L216 WeakPolarHBondContact O-CD1 3.45Å; I212-L216 HydrophobicContact CG2-CD1 3.8Å; I212-L216 HydrophobicContact CG2-CG 4.4Å; I212-L216 WeakPolarHBondContact O-CB 3.25Å; I212-L216 WeakPolarHBondContact O-CG 3.37Å; I212-L216 PolarHBondContact O-N 3Å; H213-L216 PolarHBondContact O-N 3.39Å; D214-L216 PolarHBondContact O-N 3.38Å |
| 217 | F | 87.9 | Confident | 82.9 | Confident | 87 Ų | 87 | 60.1 Ų | 60.1 | 38% | 0.382 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -117.8 | -26.4 | -165.2 | -56.5 | -63.7 | 0 | 0 | 0 | 114.6 | P53 H213 | P53-F217 HydrophobicContact CB-CZ 4.34Å; H213-F217 AromaticContact CD2-CD2 3.57Å; H213-F217 AromaticContact NE2-CD2 3.84Å; H213-F217 VanDerWaalsContact O-CD2 3.32Å; H213-F217 WeakPolarHBondContact O-CD2 3.43Å; H213-F217 PolarHBondContact O-N 2.71Å |
| 218 | E | 85.9 | Confident | 83.2 | Confident | 108 Ų | 108 | 56.9 Ų | 56.9 | 51% | 0.505 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -99.2 | -38.1 | 178.7 | -62.1 | -56.3 | 163.4 | 0 | 0 | 113.4 | D214 K220 | D214-E218 CarbonylContact O-C 3.53Å; D214-E218 WeakPolarHBondContact O-CA 3.42Å; D214-E218 WeakPolarHBondContact O-CB 3.26Å; D214-E218 PolarHBondContact O-N 2.89Å; E218-K220 PolarHBondContact O-N 2.99Å; E218-K220 PolarHBondContact O-NZ 3.33Å; E218-K220 IonicContact OE2-NZ 2.74Å; E218-K220 PolarHBondContact OE2-NZ 2.95Å |
| 219 | T | 86.9 | Confident | 83.4 | Confident | 22 Ų | 22 | 57.8 Ų | 57.8 | 14% | 0.135 | 30% | 0.296 | C | S | . | . | trans | -67.4 | 94.7 | 175.3 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | V7 D214 M215 V228 F230 | V7-T219 HydrophobicContact CB-CG2 4.18Å; V7-T219 HydrophobicContact CG2-CG2 4.05Å; D214-T219 PolarHBondContact O-N 3.05Å; D214-T219 PolarHBondContact O-OG1 3.13Å; M215-T219 HydrophobicContact SD-CG2 4.36Å; T219-V228 HydrophobicContact CG2-CG2 3.81Å; T219-F230 HydrophobicContact CG2-CD1 3.81Å; T219-F230 HydrophobicContact CG2-CE1 3.94Å | ||
| 220 | K | 84.4 | Confident | 83.4 | Confident | 96 Ų | 96 | 51.7 Ų | 51.7 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -94.6 | 151.4 | 175.3 | -69.3 | 142 | -166.9 | 127.5 | 0 | 110.9 | A4 E218 | A4-K220 HydrophobicContact CB-CB 4.06Å; A4-K220 HydrophobicContact CB-CG 4.25Å; E218-K220 PolarHBondContact O-N 2.99Å; E218-K220 PolarHBondContact O-NZ 3.33Å; E218-K220 IonicContact OE2-NZ 2.74Å; E218-K220 PolarHBondContact OE2-NZ 2.95Å |
| 221 | L | 81.8 | Confident | 83.4 | Confident | 33 Ų | 33 | 50.9 Ų | 50.9 | 17% | 0.173 | 27% | 0.271 | C | S | . | . | trans | -59.8 | 127.9 | 170.2 | -166.3 | 73.4 | 0 | 0 | 0 | 108.4 | E5 V7 F180 | E5-L221 HydrophobicContact CB-CB 4.23Å; E5-L221 HydrophobicContact CB-CD2 4.29Å; E5-L221 WeakPolarHBondContact O-CB 3.37Å; E5-L221 PolarHBondContact O-N 3.16Å; V7-L221 HydrophobicContact CG2-CB 4.32Å; V7-L221 HydrophobicContact CG2-CD1 4.27Å; F180-L221 HydrophobicContact CE2-CD1 3.92Å; F180-L221 HydrophobicContact CZ-CD1 3.89Å | ||
| 222 | P | 77.8 | Confident | 83.1 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | trans | -77.7 | 175.3 | -173.8 | 35.8 | -36.9 | 0 | 0 | 0 | 109.5 | V224 Q226 V228 C241 | P222-V224 PolarHBondContact O-N 2.85Å; P222-Q226 HydrophobicContact CB-CB 4.11Å; P222-Q226 HydrophobicContact CG-CB 4.46Å; P222-V228 HydrophobicContact CG-CB 3.98Å; P222-C241 HydrophobicContact CG-CB 3.82Å | ||
| 223 | T | 69.9 | Low | 82.5 | Confident | 94 Ų | 94 | 52 Ų | 52 | 58% | 0.577 | 28% | 0.279 | S | S | * | . | trans | -68.7 | 134.6 | 169.8 | 65.3 | 0 | 0 | 0 | 0 | 109.4 | G225 Q226 | T223-G225 PolarHBondContact O-N 2.99Å; T223-Q226 VanDerWaalsContact N-OE1 3.09Å; T223-Q226 WeakPolarHBondContact O-CB 3.37Å; T223-Q226 WeakPolarHBondContact O-CG 3.4Å; T223-Q226 PolarHBondContact O-N 3.5Å; T223-Q226 VanDerWaalsContact O-N 3.12Å; T223-Q226 PolarHBondContact O-OE1 3.48Å; T223-Q226 PolarHBondContact OG1-NE2 3.15Å; T223-Q226 PolarHBondContact OG1-OE1 3.09Å | ||
| 224 | V | 67.1 | Low | 82.1 | Confident | 77 Ų | 77 | 50.8 Ų | 50.8 | 47% | 0.467 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.5 | 133.2 | 176.8 | -71.2 | 0 | 0 | 0 | 0 | 113.2 | P222 P242 P244 | P222-V224 PolarHBondContact O-N 2.85Å; V224-P242 WeakPolarHBondContact CB-O 3.49Å; V224-P244 HydrophobicContact CB-CG 4.23Å; V224-P244 HydrophobicContact CG1-CG 4.45Å; V224-P244 HydrophobicContact CG2-CG 3.77Å |
| 225 | G | 66.8 | Low | 81.9 | Confident | 26 Ų | 26 | 49.8 Ų | 49.8 | 27% | 0.268 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 8.5 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T223 C241 | T223-G225 PolarHBondContact O-N 2.99Å; G225-C241 WeakPolarHBondContact CA-O 3.45Å; G225-C241 PolarHBondContact N-O 3.29Å |
| 226 | Q | 74 | Confident | 81.6 | Confident | 85 Ų | 85 | 51.8 Ų | 51.8 | 40% | 0.397 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 159.6 | -179.4 | -58.7 | 177.6 | -39.6 | 0 | 0 | 113.1 | P222 T223 C241 | P222-Q226 HydrophobicContact CB-CB 4.11Å; P222-Q226 HydrophobicContact CG-CB 4.46Å; T223-Q226 VanDerWaalsContact N-OE1 3.09Å; T223-Q226 WeakPolarHBondContact O-CB 3.37Å; T223-Q226 WeakPolarHBondContact O-CG 3.4Å; T223-Q226 PolarHBondContact O-N 3.5Å; T223-Q226 VanDerWaalsContact O-N 3.12Å; T223-Q226 PolarHBondContact O-OE1 3.48Å; T223-Q226 PolarHBondContact OG1-NE2 3.15Å; T223-Q226 PolarHBondContact OG1-OE1 3.09Å; Q226-C241 PolarHBondContact N-O 3.36Å; Q226-C241 PolarHBondContact O-N 2.86Å |
| 227 | Y | 81.9 | Confident | 81.6 | Confident | 96 Ų | 96 | 51.7 Ų | 51.7 | 38% | 0.376 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 142.4 | 169.6 | -63.8 | -91.8 | 0 | 0 | 0 | 111.5 | G239 Y240 Y561 | Y227-G239 CarbonylContact C-O 3.58Å; Y227-G239 VanDerWaalsContact CA-O 3.26Å; Y227-G239 WeakPolarHBondContact CA-O 3.3Å; Y227-Y240 AromaticContact CD1-CD2 3.8Å; Y227-Y240 HydrophobicContact CD1-CD2 3.8Å; Y227-Y240 HydrophobicContact CD1-CG 4.2Å; Y227-Y240 AromaticContact CD2-CD2 3.78Å; Y227-Y240 HydrophobicContact CD2-CD2 3.78Å; Y227-Y240 HydrophobicContact CD2-CE2 4.31Å; Y227-Y240 AromaticContact CE1-CD2 3.71Å; Y227-Y240 HydrophobicContact CE1-CD2 3.71Å; Y227-Y240 HydrophobicContact CE1-CG 4.01Å; Y227-Y240 AromaticContact CE2-CD2 3.68Å; Y227-Y240 HydrophobicContact CE2-CD2 3.68Å; Y227-Y240 HydrophobicContact CE2-CE2 4.04Å; Y227-Y240 AromaticContact CG-CD2 3.83Å; Y227-Y240 HydrophobicContact CG-CD2 3.83Å; Y227-Y240 AromaticContact CZ-CD2 3.64Å; Y227-Y561 HydrophobicContact CD1-CE1 4.11Å; Y227-Y561 HydrophobicContact CE1-CD1 4.49Å; Y227-Y561 AromaticContact CE1-CE1 3.94Å; Y227-Y561 HydrophobicContact CE1-CE1 3.94Å |
| 228 | V | 86.9 | Confident | 81.5 | Confident | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.055 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 145.8 | 159.4 | 62.6 | 0 | 0 | 0 | 0 | 109.4 | V7 F180 T219 P222 F230 Y238 G239 | V7-V228 HydrophobicContact CG2-CG2 4.24Å; F180-V228 HydrophobicContact CE2-CG1 4.3Å; F180-V228 HydrophobicContact CZ-CG1 4.35Å; T219-V228 HydrophobicContact CG2-CG2 3.81Å; P222-V228 HydrophobicContact CG-CB 3.98Å; V228-F230 HydrophobicContact CB-CE1 4.26Å; V228-F230 HydrophobicContact CG1-CD1 4.5Å; V228-F230 HydrophobicContact CG1-CE1 3.52Å; V228-F230 HydrophobicContact CG1-CE2 4.32Å; V228-F230 HydrophobicContact CG1-CZ 3.41Å; V228-F230 VanDerWaalsContact CG1-CZ 3.41Å; V228-F230 HydrophobicContact CG2-CD1 4.28Å; V228-F230 HydrophobicContact CG2-CE1 3.76Å; V228-Y238 WeakPolarHBondContact O-CA 3.26Å; V228-G239 PolarHBondContact N-O 3.18Å; V228-G239 PolarHBondContact O-N 2.94Å |
| 229 | T | 88.2 | Confident | 81.5 | Confident | 72 Ų | 72 | 44.9 Ų | 44.9 | 44% | 0.442 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.6 | 177.1 | 47.2 | 0 | 0 | 0 | 0 | 111 | T236 H237 Y238 | T229-T236 HydrophobicContact CG2-CG2 3.82Å; T229-H237 CarbonylContact C-O 3.45Å; T229-H237 WeakPolarHBondContact CA-O 3.49Å; T229-Y238 HydrophobicContact CG2-CD1 3.98Å; T229-Y238 HydrophobicContact CG2-CE1 3.87Å |
| 230 | F | 88.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 101.8 | 171.3 | -39.7 | -54.4 | 0 | 0 | 0 | 107.4 | V7 F180 L184 W187 M215 T219 V228 H237 | V7-F230 HydrophobicContact CG1-CE1 3.83Å; V7-F230 HydrophobicContact CG1-CZ 4.07Å; F180-F230 HydrophobicContact CB-CE2 4.12Å; F180-F230 HydrophobicContact CB-CZ 4.02Å; F180-F230 AromaticContact CD2-CZ 3.99Å; F180-F230 HydrophobicContact CD2-CZ 3.99Å; F180-F230 HydrophobicContact CG-CZ 4.12Å; L184-F230 HydrophobicContact CD2-CD1 4.41Å; L184-F230 HydrophobicContact CD2-CD2 3.96Å; L184-F230 HydrophobicContact CD2-CE1 4.2Å; L184-F230 HydrophobicContact CD2-CE2 3.73Å; L184-F230 HydrophobicContact CD2-CG 4.29Å; L184-F230 HydrophobicContact CD2-CZ 3.85Å; L184-F230 HydrophobicContact CG-CE2 4.18Å; L184-F230 HydrophobicContact CG-CZ 4.44Å; W187-F230 HydrophobicContact CB-CB 4.47Å; W187-F230 HydrophobicContact CG-CB 4.26Å; M215-F230 HydrophobicContact CE-CB 4.03Å; M215-F230 HydrophobicContact CE-CD1 3.47Å; M215-F230 VanDerWaalsContact CE-CD1 3.47Å; M215-F230 HydrophobicContact CE-CD2 4.46Å; M215-F230 HydrophobicContact CE-CE1 3.97Å; M215-F230 HydrophobicContact CE-CG 3.74Å; M215-F230 HydrophobicContact SD-CB 3.96Å; M215-F230 HydrophobicContact SD-CD1 3.84Å; M215-F230 HydrophobicContact SD-CG 4.19Å; T219-F230 HydrophobicContact CG2-CD1 3.81Å; T219-F230 HydrophobicContact CG2-CE1 3.94Å; V228-F230 HydrophobicContact CB-CE1 4.26Å; V228-F230 HydrophobicContact CG1-CD1 4.5Å; V228-F230 HydrophobicContact CG1-CE1 3.52Å; V228-F230 HydrophobicContact CG1-CE2 4.32Å; V228-F230 HydrophobicContact CG1-CZ 3.41Å; V228-F230 VanDerWaalsContact CG1-CZ 3.41Å; V228-F230 HydrophobicContact CG2-CD1 4.28Å; V228-F230 HydrophobicContact CG2-CE1 3.76Å; F230-H237 HydrophobicContact CB-CB 4.2Å; F230-H237 HydrophobicContact CD2-CB 4.16Å; F230-H237 PolarHBondContact N-O 2.96Å; F230-H237 PolarHBondContact O-CD2 2.69Å; F230-H237 VanDerWaalsContact O-CD2 3.27Å; F230-H237 PolarHBondContact O-N 2.9Å |
| 231 | S | 83.9 | Confident | 80.8 | Confident | 69 Ų | 69 | 41.2 Ų | 41.2 | 48% | 0.483 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 142.8 | -175 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | W187 | W187-S231 PolarHBondContact NE1-O 2.97Å |
| 232 | T | 83.8 | Confident | 79.9 | Confident | 20 Ų | 20 | 41.3 Ų | 41.3 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | trans | -126.7 | 167.6 | 167.1 | 79.2 | 0 | 0 | 0 | 0 | 109.3 | W187 D190 F234 R235 | W187-T232 HydrophobicContact CG-CG2 4.14Å; D190-T232 HydrophobicContact CB-CG2 3.66Å; D190-T232 WeakPolarHBondContact OD2-CG2 3.25Å; D190-T232 PolarHBondContact OD2-OG1 3.11Å; T232-F234 PolarHBondContact O-N 2.78Å; T232-F234 PolarHBondContact OG1-N 3.37Å; T232-R235 PolarHBondContact N-O 2.73Å; T232-R235 PolarHBondContact OG1-N 2.7Å; T232-R235 VanDerWaalsContact OG1-N 3.1Å; T232-R235 PolarHBondContact OG1-O 3.36Å | ||
| 233 | P | 77.4 | Confident | 78.7 | Confident | 30 Ų | 30 | 41.8 Ų | 41.8 | 20% | 0.195 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -65.6 | -5 | 174.7 | -21.4 | 35.8 | 0 | 0 | 0 | 114.1 | M194 I204 | M194-P233 HydrophobicContact CE-CG 3.85Å; M194-P233 HydrophobicContact SD-CG 3.92Å; I204-P233 HydrophobicContact CG2-CB 4.41Å |
| 234 | F | 81.6 | Confident | 77.7 | Confident | 54 Ų | 54 | 41.2 Ų | 41.2 | 24% | 0.237 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -109.3 | -44 | -179.1 | -55.1 | -48.1 | 0 | 0 | 0 | 113 | D190 A193 M194 I197 I204 T232 I553 | D190-F234 HydrophobicContact CB-CD2 4.34Å; A193-F234 HydrophobicContact CB-CE2 4.29Å; M194-F234 HydrophobicContact CB-CE2 4.29Å; M194-F234 HydrophobicContact CG-CD2 4.27Å; M194-F234 HydrophobicContact CG-CE2 3.39Å; M194-F234 HydrophobicContact CG-CZ 3.82Å; I197-F234 HydrophobicContact CB-CZ 4.46Å; I197-F234 HydrophobicContact CD1-CZ 4.01Å; I197-F234 HydrophobicContact CG2-CZ 4.42Å; I204-F234 HydrophobicContact CD1-CE1 3.9Å; I204-F234 HydrophobicContact CD1-CZ 4.03Å; I204-F234 HydrophobicContact CG1-CE1 4.11Å; T232-F234 PolarHBondContact O-N 2.78Å; T232-F234 PolarHBondContact OG1-N 3.37Å; F234-I553 HydrophobicContact CB-CD1 4.42Å; F234-I553 HydrophobicContact CB-CG1 4.16Å; F234-I553 HydrophobicContact CB-CG2 4.06Å; F234-I553 HydrophobicContact CD1-CD1 3.96Å; F234-I553 HydrophobicContact CD2-CD1 3.4Å; F234-I553 VanDerWaalsContact CD2-CD1 3.4Å; F234-I553 HydrophobicContact CD2-CG1 3.74Å; F234-I553 HydrophobicContact CE1-CD1 3.99Å; F234-I553 HydrophobicContact CE2-CD1 3.43Å; F234-I553 VanDerWaalsContact CE2-CD1 3.43Å; F234-I553 HydrophobicContact CE2-CG1 4.24Å; F234-I553 HydrophobicContact CG-CD1 3.67Å; F234-I553 HydrophobicContact CG-CG1 3.93Å; F234-I553 HydrophobicContact CG-CG2 4.31Å; F234-I553 HydrophobicContact CZ-CD1 3.74Å |
| 235 | R | 84.3 | Confident | 76.7 | Confident | 32 Ų | 32 | 39.1 Ų | 39.1 | 12% | 0.121 | 22% | 0.221 | C | C | . | . | trans | -160 | 161.7 | -176.5 | 59.7 | -168.9 | -160.8 | -91.3 | -9.8 | 112.3 | N186 D190 T232 H237 I552 V557 | N186-R235 PolarHBondContact O-NH2 2.97Å; N186-R235 VanDerWaalsContact O-NH2 3.14Å; D190-R235 IonicContact OD1-CZ 3.82Å; D190-R235 VanDerWaalsContact OD1-CZ 3.28Å; D190-R235 IonicContact OD1-NH1 2.78Å; D190-R235 PolarHBondContact OD1-NH1 3.43Å; D190-R235 IonicContact OD1-NH2 3.89Å; D190-R235 VanDerWaalsContact OD2-CG 3.25Å; D190-R235 WeakPolarHBondContact OD2-CG 3.34Å; D190-R235 IonicContact OD2-CZ 3.25Å; D190-R235 IonicContact OD2-NE 2.99Å; D190-R235 IonicContact OD2-NH1 2.89Å; D190-R235 IonicContact OD2-NH2 3.07Å; T232-R235 PolarHBondContact N-O 2.73Å; T232-R235 PolarHBondContact OG1-N 2.7Å; T232-R235 VanDerWaalsContact OG1-N 3.1Å; T232-R235 PolarHBondContact OG1-O 3.36Å; R235-H237 PolarHBondContact NE-CE1 3.32Å; R235-H237 VanDerWaalsContact NE-CE1 3.28Å; R235-I552 PolarHBondContact NH1-O 3.15Å; R235-V557 VanDerWaalsContact CD-CG2 3.44Å; R235-V557 HydrophobicContact CG-CG2 4.13Å | ||
| 236 | T | 84.8 | Confident | 75.2 | Confident | 47 Ų | 47 | 40.7 Ų | 40.7 | 29% | 0.288 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 134.5 | 172.8 | -54 | 0 | 0 | 0 | 0 | 110.1 | T229 Y238 | T229-T236 HydrophobicContact CG2-CG2 3.82Å; T236-Y238 HydrophobicContact CG2-CE1 4.15Å; T236-Y238 HydrophobicContact CG2-CE2 4.42Å; T236-Y238 VanDerWaalsContact O-CE2 3.22Å; T236-Y238 WeakPolarHBondContact O-CE2 3.45Å |
| 237 | H | 89.2 | Confident | 73.4 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 166.8 | 171.6 | -45.8 | -88.7 | 0 | 0 | 0 | 110.3 | N186 D190 T229 F230 R235 V557 | N186-H237 WeakPolarHBondContact CB-ND1 3.15Å; N186-H237 PolarHBondContact O-CE1 3.07Å; N186-H237 PolarHBondContact O-NE2 3.33Å; D190-H237 IonicContact OD2-CE1 3.5Å; D190-H237 PolarHBondContact OD2-CE1 3.1Å; D190-H237 VanDerWaalsContact OD2-CE1 3.32Å; D190-H237 IonicContact OD2-NE2 3.67Å; D190-H237 PolarHBondContact OD2-NE2 3.42Å; T229-H237 CarbonylContact C-O 3.45Å; T229-H237 WeakPolarHBondContact CA-O 3.49Å; F230-H237 HydrophobicContact CB-CB 4.2Å; F230-H237 HydrophobicContact CD2-CB 4.16Å; F230-H237 PolarHBondContact N-O 2.96Å; F230-H237 PolarHBondContact O-CD2 2.69Å; F230-H237 VanDerWaalsContact O-CD2 3.27Å; F230-H237 PolarHBondContact O-N 2.9Å; R235-H237 PolarHBondContact NE-CE1 3.32Å; R235-H237 VanDerWaalsContact NE-CE1 3.28Å; H237-V557 HydrophobicContact CB-CG1 4.39Å |
| 238 | Y | 86.4 | Confident | 71.3 | Confident | 53 Ų | 53 | 37.5 Ų | 37.5 | 21% | 0.208 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 140.9 | -169.8 | -54.8 | -90.9 | 0 | 0 | 0 | 110.4 | G183 V228 T229 T236 V557 Y558 | G183-Y238 WeakPolarHBondContact CA-O 3.36Å; V228-Y238 WeakPolarHBondContact O-CA 3.26Å; T229-Y238 HydrophobicContact CG2-CD1 3.98Å; T229-Y238 HydrophobicContact CG2-CE1 3.87Å; T236-Y238 HydrophobicContact CG2-CE1 4.15Å; T236-Y238 HydrophobicContact CG2-CE2 4.42Å; T236-Y238 VanDerWaalsContact O-CE2 3.22Å; T236-Y238 WeakPolarHBondContact O-CE2 3.45Å; Y238-V557 HydrophobicContact CD2-CG1 4.33Å; Y238-Y558 HydrophobicContact CD1-CD2 4.15Å; Y238-Y558 HydrophobicContact CD1-CE2 4.43Å; Y238-Y558 AromaticContact CD2-CD2 3.83Å; Y238-Y558 HydrophobicContact CD2-CD2 3.83Å; Y238-Y558 AromaticContact CE1-CD2 3.99Å; Y238-Y558 HydrophobicContact CE1-CD2 3.99Å; Y238-Y558 HydrophobicContact CE1-CE2 4.38Å; Y238-Y558 AromaticContact CE2-CD2 3.69Å; Y238-Y558 HydrophobicContact CE2-CD2 3.69Å; Y238-Y558 HydrophobicContact CE2-CG 4.24Å; Y238-Y558 HydrophobicContact CG-CD2 4.08Å; Y238-Y558 AromaticContact CZ-CD2 3.77Å |
| 239 | G | 85.7 | Confident | 68.8 | Low | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 156.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | Y227 V228 Y561 | Y227-G239 CarbonylContact C-O 3.58Å; Y227-G239 VanDerWaalsContact CA-O 3.26Å; Y227-G239 WeakPolarHBondContact CA-O 3.3Å; V228-G239 PolarHBondContact N-O 3.18Å; V228-G239 PolarHBondContact O-N 2.94Å; G239-Y561 VanDerWaalsContact C-OH 3.31Å; G239-Y561 VanDerWaalsContact CA-OH 3.29Å; G239-Y561 WeakPolarHBondContact CA-OH 3.47Å |
| 240 | Y | 80.8 | Confident | 66.3 | Low | 28 Ų | 28 | 42.2 Ų | 42.2 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 122.8 | 178.5 | 176 | -96.8 | 0 | 0 | 0 | 111.4 | Y227 P242 E263 L266 Y561 | Y227-Y240 AromaticContact CD1-CD2 3.8Å; Y227-Y240 HydrophobicContact CD1-CD2 3.8Å; Y227-Y240 HydrophobicContact CD1-CG 4.2Å; Y227-Y240 AromaticContact CD2-CD2 3.78Å; Y227-Y240 HydrophobicContact CD2-CD2 3.78Å; Y227-Y240 HydrophobicContact CD2-CE2 4.31Å; Y227-Y240 AromaticContact CE1-CD2 3.71Å; Y227-Y240 HydrophobicContact CE1-CD2 3.71Å; Y227-Y240 HydrophobicContact CE1-CG 4.01Å; Y227-Y240 AromaticContact CE2-CD2 3.68Å; Y227-Y240 HydrophobicContact CE2-CD2 3.68Å; Y227-Y240 HydrophobicContact CE2-CE2 4.04Å; Y227-Y240 AromaticContact CG-CD2 3.83Å; Y227-Y240 HydrophobicContact CG-CD2 3.83Å; Y227-Y240 AromaticContact CZ-CD2 3.64Å; Y240-P242 HydrophobicContact CE1-CB 4.29Å; Y240-P242 WeakPolarHBondContact O-CD 3.42Å; Y240-E263 VanDerWaalsContact CE1-OE1 3.32Å; Y240-E263 WeakPolarHBondContact CE1-OE1 3.43Å; Y240-E263 WeakPolarHBondContact CE1-OE2 3.47Å; Y240-E263 PolarHBondContact OH-OE1 3.18Å; Y240-E263 PolarHBondContact OH-OE2 2.89Å; Y240-L266 HydrophobicContact CD1-CD1 3.82Å; Y240-L266 HydrophobicContact CD1-CD2 3.84Å; Y240-L266 HydrophobicContact CD1-CG 4.41Å; Y240-L266 HydrophobicContact CE1-CD1 4.3Å; Y240-L266 HydrophobicContact CG-CD2 4.32Å; Y240-Y561 PolarHBondContact N-OH 2.9Å |
| 241 | C | 74.9 | Confident | 63.8 | Low | 13 Ų | 13 | 47 Ų | 47 | 9% | 0.088 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 110 | 179.2 | -168.2 | 0 | 0 | 0 | 0 | 108.7 | P222 G225 Q226 | P222-C241 HydrophobicContact CG-CB 3.82Å; G225-C241 WeakPolarHBondContact CA-O 3.45Å; G225-C241 PolarHBondContact N-O 3.29Å; Q226-C241 PolarHBondContact N-O 3.36Å; Q226-C241 PolarHBondContact O-N 2.86Å |
| 242 | P | 63 | Low | 61.6 | Low | 34 Ų | 34 | 49.8 Ų | 49.8 | 22% | 0.221 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 157.5 | -175.5 | 28.8 | -35.9 | 0 | 0 | 0 | 112.7 | V224 Y240 E263 | V224-P242 WeakPolarHBondContact CB-O 3.49Å; Y240-P242 HydrophobicContact CE1-CB 4.29Å; Y240-P242 WeakPolarHBondContact O-CD 3.42Å; P242-E263 WeakPolarHBondContact CA-OE2 3.48Å; P242-E263 HydrophobicContact CB-CG 4.33Å; P242-E263 WeakPolarHBondContact CB-OE2 3.15Å |
| 243 | A | 53.6 | Low | 59.3 | Low | 38 Ų | 38 | 54.3 Ų | 54.3 | 31% | 0.314 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 132 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E263 | A243-E263 PolarHBondContact N-OE2 3.35Å; A243-E263 VanDerWaalsContact N-OE2 3.15Å |
| 244 | P | 48.4 | Very low | 57.2 | Low | 82 Ų | 82 | 56 Ų | 56 | 53% | 0.532 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 148.5 | 169.6 | 33 | -37.5 | 0 | 0 | 0 | 109.4 | V224 S246 | V224-P244 HydrophobicContact CB-CG 4.23Å; V224-P244 HydrophobicContact CG1-CG 4.45Å; V224-P244 HydrophobicContact CG2-CG 3.77Å; P244-S246 PolarHBondContact O-N 3.25Å |
| 245 | I | 46.2 | Very low | 54.6 | Low | 34 Ų | 34 | 62.1 Ų | 62.1 | 17% | 0.174 | 36% | 0.356 | C | S | . | . | trans | -74 | 115.6 | -179.8 | -57.3 | 167.6 | 0 | 0 | 0 | 108.3 | V262 V665 T668 V669 | I245-V262 HydrophobicContact CB-CG2 4.48Å; I245-V262 HydrophobicContact CD1-CG1 3.47Å; I245-V262 VanDerWaalsContact CD1-CG1 3.47Å; I245-V262 HydrophobicContact CD1-CG2 4.44Å; I245-V262 HydrophobicContact CG1-CB 4.38Å; I245-V262 HydrophobicContact CG1-CG1 3.72Å; I245-V262 HydrophobicContact CG1-CG2 4Å; I245-V262 HydrophobicContact CG2-CG2 3.85Å; I245-V665 HydrophobicContact CD1-CB 4.36Å; I245-V665 HydrophobicContact CD1-CG1 3.79Å; I245-V665 WeakPolarHBondContact CD1-O 3.24Å; I245-V665 HydrophobicContact CG1-CG1 4.22Å; I245-T668 HydrophobicContact CB-CG2 4.4Å; I245-T668 HydrophobicContact CD1-CG2 3.63Å; I245-T668 HydrophobicContact CG2-CG2 3.89Å; I245-V669 HydrophobicContact CD1-CG2 4.2Å | ||
| 246 | S | 35.7 | Very low | 51.9 | Low | 58 Ų | 58 | 67.8 Ų | 67.8 | 41% | 0.406 | 39% | 0.388 | S | S | . | . | trans | -54 | 139.6 | 171.5 | 58 | 0 | 0 | 0 | 0 | 110.3 | P244 I248 | P244-S246 PolarHBondContact O-N 3.25Å; S246-I248 PolarHBondContact O-N 2.94Å | ||
| 247 | P | 35.2 | Very low | 49.2 | Very low | 83 Ų | 83 | 73 Ų | 73 | 54% | 0.539 | 41% | 0.414 | S | S | . | . | trans | -51.5 | 127.9 | -170.6 | -29.9 | 35.5 | 0 | 0 | 0 | 114.2 | T249 N250 M657 | P247-T249 PolarHBondContact O-N 3.02Å; P247-N250 PolarHBondContact O-N 3.08Å; P247-M657 HydrophobicContact CB-CE 4.14Å | ||
| 248 | I | 37.9 | Very low | 46.4 | Very low | 31 Ų | 31 | 80.3 Ų | 80.3 | 16% | 0.159 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -57.5 | -11 | -179.8 | -84.3 | -175.8 | 0 | 0 | 0 | 113.6 | S246 N250 L251 M252 W648 T668 | S246-I248 PolarHBondContact O-N 2.94Å; I248-N250 PolarHBondContact O-N 3.46Å; I248-N250 VanDerWaalsContact O-N 3.1Å; I248-L251 HydrophobicContact CG2-CB 4.4Å; I248-L251 WeakPolarHBondContact O-CA 3.43Å; I248-L251 WeakPolarHBondContact O-CB 3.44Å; I248-L251 PolarHBondContact O-N 2.92Å; I248-M252 HydrophobicContact CG2-CG 4.06Å; I248-M252 PolarHBondContact O-N 3.4Å; I248-W648 HydrophobicContact CD1-CZ2 4.43Å; I248-W648 HydrophobicContact CG2-CZ2 4.17Å; I248-T668 HydrophobicContact CD1-CG2 3.49Å; I248-T668 VanDerWaalsContact CD1-CG2 3.49Å; I248-T668 HydrophobicContact CG1-CG2 4.23Å |
| 249 | T | 35 | Very low | 43.8 | Very low | 64 Ų | 64 | 86 Ų | 86 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -45.9 | -35.7 | 168.4 | -35.8 | 0 | 0 | 0 | 0 | 113.5 | P247 N253 | P247-T249 PolarHBondContact O-N 3.02Å; T249-N253 PolarHBondContact O-ND2 2.81Å |
| 250 | N | 34.7 | Very low | 41.4 | Very low | 117 Ų | 117 | 93.2 Ų | 93.2 | 63% | 0.626 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -77.3 | -30.5 | 175.5 | -74.4 | -8.3 | 0 | 0 | 0 | 113.3 | P247 I248 | P247-N250 PolarHBondContact O-N 3.08Å; I248-N250 PolarHBondContact O-N 3.46Å; I248-N250 VanDerWaalsContact O-N 3.1Å |
| 251 | L | 37.8 | Very low | 39.5 | Very low | 100 Ų | 100 | 100.3 Ų | 100.3 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -71.3 | -33.9 | -177.8 | -151.3 | 87.2 | 0 | 0 | 0 | 112.3 | I248 N253 L672 | I248-L251 HydrophobicContact CG2-CB 4.4Å; I248-L251 WeakPolarHBondContact O-CA 3.43Å; I248-L251 WeakPolarHBondContact O-CB 3.44Å; I248-L251 PolarHBondContact O-N 2.92Å; L251-N253 VanDerWaalsContact C-N 3.34Å; L251-N253 PolarHBondContact O-N 2.84Å; L251-L672 HydrophobicContact CD2-CD2 3.52Å |
| 252 | M | 37.7 | Very low | 38.1 | Very low | 127 Ų | 127 | 102 Ų | 102 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -79.9 | -9.7 | -178 | -62.4 | -148.3 | -64.5 | 0 | 0 | 114.5 | I248 G254 | I248-M252 HydrophobicContact CG2-CG 4.06Å; I248-M252 PolarHBondContact O-N 3.4Å; M252-G254 PolarHBondContact O-N 3.3Å |
| 253 | N | 35.8 | Very low | 37.5 | Very low | 116 Ų | 116 | 103.2 Ų | 103.2 | 62% | 0.62 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -89.7 | 8.5 | -176.3 | -74.7 | -20.5 | 0 | 0 | 0 | 114.5 | T249 L251 Q255 | T249-N253 PolarHBondContact O-ND2 2.81Å; L251-N253 VanDerWaalsContact C-N 3.34Å; L251-N253 PolarHBondContact O-N 2.84Å; N253-Q255 PolarHBondContact O-N 3.43Å |
| 254 | G | 32.4 | Very low | 37.8 | Very low | 66 Ų | 66 | 102.3 Ų | 102.3 | 68% | 0.68 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 72 | -3.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | M252 L256 | M252-G254 PolarHBondContact O-N 3.3Å; G254-L256 VanDerWaalsContact C-N 3.31Å; G254-L256 PolarHBondContact O-N 3.16Å |
| 255 | Q | 27.8 | Very low | 38.3 | Very low | 181 Ų | 181 | 100 Ų | 100 | 85% | 0.846 | 52% | 0.519 | S | S | * | . | trans | -84.6 | 69.1 | 176.1 | -69.3 | -169.8 | -29.2 | 0 | 0 | 111.8 | N253 N257 | N253-Q255 PolarHBondContact O-N 3.43Å; Q255-N257 PolarHBondContact O-N 3.32Å | ||
| 256 | L | 27 | Very low | 39.1 | Very low | 152 Ų | 152 | 100.6 Ų | 100.6 | 80% | 0.796 | 52% | 0.522 | S | S | * | . | trans | -70.3 | 90.9 | 170.5 | -85.7 | 168.3 | 0 | 0 | 0 | 110.7 | G254 | G254-L256 VanDerWaalsContact C-N 3.31Å; G254-L256 PolarHBondContact O-N 3.16Å | ||
| 257 | N | 27.6 | Very low | 41.3 | Very low | 156 Ų | 156 | 98.6 Ų | 98.6 | 83% | 0.834 | 51% | 0.506 | S | S | * | . | trans | -153.9 | 40.9 | 168.6 | -119.2 | -14.6 | 0 | 0 | 0 | 115.4 | Q255 | Q255-N257 PolarHBondContact O-N 3.32Š| ||
| 258 | Q | 30.1 | Very low | 43.8 | Very low | 154 Ų | 154 | 95 Ų | 95 | 72% | 0.72 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -161.1 | 150.9 | 154.2 | -111.1 | 158.6 | 15.4 | 0 | 0 | 111.3 | Y260 | Q258-Y260 HydrophobicContact CB-CE2 3.82Å; Q258-Y260 PolarHBondContact O-N 3.47Å |
| 259 | K | 32.8 | Very low | 46.2 | Very low | 171 Ų | 171 | 93.8 Ų | 93.8 | 74% | 0.743 | 48% | 0.475 | S | S | * | . | trans | -78.6 | 115.1 | -178.6 | -67.6 | 175.3 | 175.6 | 179.9 | 0 | 110.3 | Y261 | K259-Y261 HydrophobicContact CB-CE2 4.16Å; K259-Y261 HydrophobicContact CD-CE2 4.39Å | ||
| 260 | Y | 35.3 | Very low | 48.8 | Very low | 153 Ų | 153 | 92.1 Ų | 92.1 | 60% | 0.6 | 47% | 0.465 | S | S | * | . | trans | -116.1 | 110.9 | 167.5 | -66.7 | -81.7 | 0 | 0 | 0 | 108.9 | Q258 | Q258-Y260 HydrophobicContact CB-CE2 3.82Å; Q258-Y260 PolarHBondContact O-N 3.47Å | ||
| 261 | Y | 40.7 | Very low | 51.5 | Low | 176 Ų | 176 | 86.5 Ų | 86.5 | 69% | 0.69 | 44% | 0.436 | S | S | * | . | trans | -81.3 | 149.3 | 174.2 | -63.6 | -83 | 0 | 0 | 0 | 109.8 | K259 | K259-Y261 HydrophobicContact CB-CE2 4.16Å; K259-Y261 HydrophobicContact CD-CE2 4.39Å | ||
| 262 | V | 45.5 | Very low | 54 | Low | 48 Ų | 48 | 83.7 Ų | 83.7 | 29% | 0.291 | 42% | 0.419 | S | S | . | . | trans | -124 | 119.5 | 178 | 162.6 | 0 | 0 | 0 | 0 | 108.4 | I245 V669 L672 | I245-V262 HydrophobicContact CB-CG2 4.48Å; I245-V262 HydrophobicContact CD1-CG1 3.47Å; I245-V262 VanDerWaalsContact CD1-CG1 3.47Å; I245-V262 HydrophobicContact CD1-CG2 4.44Å; I245-V262 HydrophobicContact CG1-CB 4.38Å; I245-V262 HydrophobicContact CG1-CG1 3.72Å; I245-V262 HydrophobicContact CG1-CG2 4Å; I245-V262 HydrophobicContact CG2-CG2 3.85Å; V262-V669 HydrophobicContact CG1-CB 4.11Å; V262-V669 HydrophobicContact CG1-CG1 4.39Å; V262-V669 HydrophobicContact CG1-CG2 3.49Å; V262-V669 VanDerWaalsContact CG1-CG2 3.49Å; V262-L672 HydrophobicContact CB-CD1 3.82Å; V262-L672 HydrophobicContact CG1-CD1 3.81Å; V262-L672 HydrophobicContact CG2-CD1 3.55Å | ||
| 263 | E | 50.7 | Low | 56.5 | Low | 61 Ų | 61 | 79.2 Ų | 79.2 | 29% | 0.285 | 40% | 0.397 | S | S | . | . | trans | -102 | 145.9 | -167.4 | -171.3 | 167.8 | -136.9 | 0 | 0 | 111.1 | Y240 P242 A243 | Y240-E263 VanDerWaalsContact CE1-OE1 3.32Å; Y240-E263 WeakPolarHBondContact CE1-OE1 3.43Å; Y240-E263 WeakPolarHBondContact CE1-OE2 3.47Å; Y240-E263 PolarHBondContact OH-OE1 3.18Å; Y240-E263 PolarHBondContact OH-OE2 2.89Å; P242-E263 WeakPolarHBondContact CA-OE2 3.48Å; P242-E263 HydrophobicContact CB-CG 4.33Å; P242-E263 WeakPolarHBondContact CB-OE2 3.15Å; A243-E263 PolarHBondContact N-OE2 3.35Å; A243-E263 VanDerWaalsContact N-OE2 3.15Å | ||
| 264 | L | 59.6 | Low | 59.2 | Low | 18 Ų | 18 | 73.7 Ų | 73.7 | 9% | 0.094 | 37% | 0.368 | C | S | . | . | trans | -81.3 | 126.7 | 172.2 | -79.6 | 167.8 | 0 | 0 | 0 | 109.6 | L266 L318 R572 L576 V669 | L264-L266 PolarHBondContact O-N 3.16Å; L264-L318 HydrophobicContact CD2-CD1 4.3Å; L264-R572 HydrophobicContact CD1-CB 4.49Å; L264-L576 HydrophobicContact CD1-CD2 3.96Å; L264-L576 HydrophobicContact CD2-CD2 3.79Å; L264-L576 HydrophobicContact CG-CD2 4.31Å; L264-V669 HydrophobicContact CD2-CB 4.41Å; L264-V669 HydrophobicContact CD2-CG1 4.08Å; L264-V669 HydrophobicContact CD2-CG2 4.18Å; L264-V669 HydrophobicContact CG-CG1 4.38Å | ||
| 265 | S | 58.5 | Low | 62.1 | Low | 35 Ų | 35 | 71.8 Ų | 71.8 | 25% | 0.245 | 34% | 0.341 | C | S | . | . | trans | -46 | 128.9 | 174.4 | -38.3 | 0 | 0 | 0 | 0 | 110.2 | R572 H666 | S265-R572 VanDerWaalsContact O-CZ 3.28Å; S265-R572 PolarHBondContact O-NH1 3.31Å; S265-R572 PolarHBondContact O-NH2 3.44Å; S265-H666 WeakPolarHBondContact CB-CE1 3.37Å; S265-H666 VanDerWaalsContact CB-NE2 3.35Å; S265-H666 WeakPolarHBondContact CB-NE2 3.28Å; S265-H666 PolarHBondContact OG-CE1 3.43Å; S265-H666 PolarHBondContact OG-NE2 2.91Å | ||
| 266 | L | 63.9 | Low | 65.1 | Low | 46 Ų | 46 | 68.5 Ų | 68.5 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | trans | -66.7 | 162.5 | -160.2 | -138.2 | 74.1 | 0 | 0 | 0 | 113.6 | Y240 L264 L565 | Y240-L266 HydrophobicContact CD1-CD1 3.82Å; Y240-L266 HydrophobicContact CD1-CD2 3.84Å; Y240-L266 HydrophobicContact CD1-CG 4.41Å; Y240-L266 HydrophobicContact CE1-CD1 4.3Å; Y240-L266 HydrophobicContact CG-CD2 4.32Å; L264-L266 PolarHBondContact O-N 3.16Å; L266-L565 HydrophobicContact CD1-CD2 4.48Å; L266-L565 HydrophobicContact CD2-CD1 3.87Å; L266-L565 HydrophobicContact CD2-CD2 3.45Å; L266-L565 VanDerWaalsContact CD2-CD2 3.45Å; L266-L565 HydrophobicContact CD2-CG 4.28Å; L266-L565 HydrophobicContact CG-CD2 3.85Å | ||
| 267 | F | 81.6 | Confident | 68.2 | Low | 16 Ų | 16 | 62.2 Ų | 62.2 | 7% | 0.07 | 29% | 0.292 | C | S | . | . | trans | -142.9 | 121.3 | 178.6 | -171.6 | -102.3 | 0 | 0 | 0 | 110.2 | Y269 I271 E311 C312 C315 N568 | F267-Y269 WeakPolarHBondContact CD1-O 3.35Å; F267-Y269 WeakPolarHBondContact CE1-O 3.5Å; F267-Y269 HydrophobicContact CE2-CD2 4.02Å; F267-Y269 AromaticContact CZ-CD2 3.83Å; F267-Y269 HydrophobicContact CZ-CD2 3.83Å; F267-Y269 HydrophobicContact CZ-CG 4.19Å; F267-I271 HydrophobicContact CD1-CD1 3.76Å; F267-I271 HydrophobicContact CD1-CG1 3.75Å; F267-I271 HydrophobicContact CE1-CD1 3.94Å; F267-I271 HydrophobicContact CE1-CG1 3.52Å; F267-E311 HydrophobicContact CE2-CB 3.93Å; F267-E311 WeakPolarHBondContact CE2-O 3.35Å; F267-E311 VanDerWaalsContact CZ-C 3.47Å; F267-E311 HydrophobicContact CZ-CB 3.97Å; F267-E311 WeakPolarHBondContact CZ-O 3.18Å; F267-C312 HydrophobicContact CZ-CB 4.38Å; F267-C315 HydrophobicContact CD2-CB 3.39Å; F267-C315 VanDerWaalsContact CD2-SG 3.56Å; F267-C315 HydrophobicContact CE2-CB 3.43Å; F267-C315 VanDerWaalsContact CE2-CB 3.43Å; F267-C315 VanDerWaalsContact CE2-SG 3.51Å; F267-C315 HydrophobicContact CG-CB 4.01Å; F267-C315 HydrophobicContact CZ-CB 4.08Å; F267-C315 VanDerWaalsContact CZ-SG 3.53Å; F267-N568 PolarHBondContact O-ND2 2.89Å | ||
| 268 | E | 86.7 | Confident | 71.3 | Confident | 7 Ų | 7 | 55 Ų | 55 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | trans | -109.3 | -4.1 | -170.3 | -68.4 | -158.2 | -175.3 | 0 | 0 | 115.6 | F180 I181 F182 G183 Y561 L565 | F180-E268 WeakPolarHBondContact CA-OE2 3.38Å; I181-E268 HydrophobicContact CB-CB 4.31Å; I181-E268 PolarHBondContact N-OE2 3.38Å; I181-E268 VanDerWaalsContact N-OE2 3.11Å; F182-E268 HydrophobicContact CB-CB 4.22Å; F182-E268 PolarHBondContact N-OE2 2.96Å; G183-E268 PolarHBondContact N-OE2 3.25Å; E268-Y561 HydrophobicContact CG-CE2 4.24Å; E268-Y561 WeakPolarHBondContact OE1-CE2 3.42Å; E268-Y561 PolarHBondContact OE1-OH 2.66Å; E268-L565 HydrophobicContact CG-CD2 4.32Å | ||
| 269 | Y | 89.5 | Confident | 74.3 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -74.1 | 141.6 | 166.9 | -68.2 | -87.3 | 0 | 0 | 0 | 110.1 | T95 I181 F267 I271 Y304 M307 L308 E311 N568 | T95-Y269 HydrophobicContact CG2-CE1 3.94Å; T95-Y269 WeakPolarHBondContact CG2-OH 3.42Å; T95-Y269 PolarHBondContact OG1-OH 3.15Å; I181-Y269 HydrophobicContact CB-CE2 4.44Å; I181-Y269 HydrophobicContact CG1-CD2 4.44Å; I181-Y269 HydrophobicContact CG1-CE2 3.78Å; I181-Y269 HydrophobicContact CG2-CD1 4.31Å; I181-Y269 HydrophobicContact CG2-CE1 3.82Å; I181-Y269 HydrophobicContact CG2-CE2 4.39Å; F267-Y269 WeakPolarHBondContact CD1-O 3.35Å; F267-Y269 WeakPolarHBondContact CE1-O 3.5Å; F267-Y269 HydrophobicContact CE2-CD2 4.02Å; F267-Y269 AromaticContact CZ-CD2 3.83Å; F267-Y269 HydrophobicContact CZ-CD2 3.83Å; F267-Y269 HydrophobicContact CZ-CG 4.19Å; Y269-I271 PolarHBondContact O-N 3.23Å; Y269-Y304 HydrophobicContact CD1-CE2 4.2Å; Y269-Y304 HydrophobicContact CE1-CE2 4.19Å; Y269-M307 HydrophobicContact CE1-CG 4.13Å; Y269-M307 HydrophobicContact CE2-CG 4.49Å; Y269-M307 WeakPolarHBondContact OH-CG 3.32Å; Y269-L308 HydrophobicContact CD1-CB 4.38Å; Y269-L308 HydrophobicContact CD1-CD1 4.15Å; Y269-L308 HydrophobicContact CG-CD1 4.41Å; Y269-E311 HydrophobicContact CD2-CB 3.71Å; Y269-E311 HydrophobicContact CD2-CG 4.17Å; Y269-E311 HydrophobicContact CE2-CB 3.75Å; Y269-E311 HydrophobicContact CE2-CG 3.66Å; Y269-E311 HydrophobicContact CG-CB 4.46Å; Y269-N568 PolarHBondContact O-ND2 3.14Å |
| 270 | P | 89.5 | Confident | 77.1 | Confident | 29 Ų | 29 | 43.6 Ų | 43.6 | 19% | 0.188 | 21% | 0.206 | C | C | . | . | trans | -71 | 101.7 | 177.6 | 28.5 | -34.2 | 0 | 0 | 0 | 111.2 | E272 E273 Y304 L308 L564 | P270-E272 PolarHBondContact O-N 3.37Å; P270-E272 VanDerWaalsContact O-N 3.17Å; P270-E273 HydrophobicContact CB-CB 4.19Å; P270-E273 HydrophobicContact CG-CB 3.84Å; P270-E273 WeakPolarHBondContact CG-OE2 2.99Å; P270-E273 WeakPolarHBondContact O-CB 3.37Å; P270-E273 PolarHBondContact O-N 3.17Å; P270-Y304 WeakPolarHBondContact CD-OH 3.46Å; P270-L308 HydrophobicContact CG-CD1 4.25Å; P270-L564 HydrophobicContact CB-CD1 3.97Å | ||
| 271 | I | 91.4 | Very high | 79.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.9 | -22.5 | 174.8 | -55.6 | 177 | 0 | 0 | 0 | 110.7 | F267 Y269 E273 L274 F275 N568 I571 R572 | F267-I271 HydrophobicContact CD1-CD1 3.76Å; F267-I271 HydrophobicContact CD1-CG1 3.75Å; F267-I271 HydrophobicContact CE1-CD1 3.94Å; F267-I271 HydrophobicContact CE1-CG1 3.52Å; Y269-I271 PolarHBondContact O-N 3.23Å; I271-E273 VanDerWaalsContact C-N 3.29Å; I271-E273 PolarHBondContact O-N 3.04Å; I271-L274 HydrophobicContact CG2-CD2 4.27Å; I271-L274 WeakPolarHBondContact O-CB 3.48Å; I271-L274 PolarHBondContact O-N 3.49Å; I271-F275 HydrophobicContact CG2-CD2 4.23Å; I271-F275 HydrophobicContact CG2-CE2 3.67Å; I271-F275 HydrophobicContact CG2-CZ 4.35Å; I271-F275 VanDerWaalsContact O-CD2 3.25Å; I271-F275 WeakPolarHBondContact O-CD2 3.46Å; I271-N568 WeakPolarHBondContact CB-OD1 3.12Å; I271-N568 HydrophobicContact CD1-CB 4.08Å; I271-N568 VanDerWaalsContact CG1-OD1 3.31Å; I271-N568 WeakPolarHBondContact CG1-OD1 3.23Å; I271-N568 PolarHBondContact N-OD1 3.21Å; I271-I571 HydrophobicContact CB-CD1 4.06Å; I271-I571 HydrophobicContact CG2-CD1 3.9Å; I271-I571 HydrophobicContact CG2-CG2 4.01Å; I271-R572 HydrophobicContact CD1-CG 4.01Å |
| 272 | E | 90.1 | Very high | 82.3 | Confident | 40 Ų | 40 | 33 Ų | 33 | 19% | 0.187 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.1 | -39.1 | 168 | -62.7 | -162.5 | 95.2 | 0 | 0 | 112.8 | P270 F275 E276 L426 A429 I567 | P270-E272 PolarHBondContact O-N 3.37Å; P270-E272 VanDerWaalsContact O-N 3.17Å; E272-F275 CarbonylContact O-C 3.53Å; E272-F275 PolarHBondContact O-N 3.39Å; E272-F275 VanDerWaalsContact O-N 3.15Å; E272-E276 PolarHBondContact O-N 3.11Å; E272-E276 VanDerWaalsContact O-N 3.16Å; E272-L426 HydrophobicContact CG-CD2 4.31Å; E272-A429 WeakPolarHBondContact OE1-CB 3.23Å; E272-I567 HydrophobicContact CG-CG2 3.81Å |
| 273 | E | 89.5 | Confident | 84.7 | Confident | 34 Ų | 34 | 30.7 Ų | 30.7 | 16% | 0.159 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.1 | -34.2 | -176.9 | -166.9 | -177.8 | 171 | 0 | 0 | 111.7 | P270 I271 F275 E276 L277 Y304 L308 | P270-E273 HydrophobicContact CB-CB 4.19Å; P270-E273 HydrophobicContact CG-CB 3.84Å; P270-E273 WeakPolarHBondContact CG-OE2 2.99Å; P270-E273 WeakPolarHBondContact O-CB 3.37Å; P270-E273 PolarHBondContact O-N 3.17Å; I271-E273 VanDerWaalsContact C-N 3.29Å; I271-E273 PolarHBondContact O-N 3.04Å; E273-F275 VanDerWaalsContact C-N 3.28Å; E273-F275 PolarHBondContact O-N 2.83Å; E273-E276 PolarHBondContact O-N 3.28Å; E273-E276 VanDerWaalsContact O-N 3.1Å; E273-L277 HydrophobicContact CG-CD1 4.16Å; E273-L277 VanDerWaalsContact O-CG 3.31Å; E273-L277 WeakPolarHBondContact O-CG 3.47Å; E273-L277 PolarHBondContact O-N 2.84Å; E273-L277 VanDerWaalsContact O-N 3.09Å; E273-Y304 WeakPolarHBondContact OE2-CE1 3.25Å; E273-Y304 PolarHBondContact OE2-OH 3.46Å; E273-L308 HydrophobicContact CB-CD1 4.5Å; E273-L308 HydrophobicContact CB-CD2 3.91Å; E273-L308 VanDerWaalsContact CD-CD2 3.44Å; E273-L308 HydrophobicContact CG-CD2 3.67Å |
| 274 | L | 93.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -52.9 | -46.9 | 168.4 | 157.1 | 66 | 0 | 0 | 0 | 110.9 | I271 E276 L277 I278 F283 I309 C312 | I271-L274 HydrophobicContact CG2-CD2 4.27Å; I271-L274 WeakPolarHBondContact O-CB 3.48Å; I271-L274 PolarHBondContact O-N 3.49Å; L274-E276 VanDerWaalsContact C-N 3.28Å; L274-E276 PolarHBondContact O-N 3.05Å; L274-L277 PolarHBondContact O-N 2.98Å; L274-I278 HydrophobicContact CD1-CB 4.4Å; L274-I278 HydrophobicContact CD1-CD1 4.18Å; L274-I278 HydrophobicContact CD1-CG1 4.45Å; L274-I278 PolarHBondContact O-N 3.35Å; L274-F283 HydrophobicContact CD1-CD2 3.92Å; L274-F283 HydrophobicContact CD1-CE2 4.44Å; L274-F283 HydrophobicContact CD2-CD2 3.86Å; L274-F283 HydrophobicContact CD2-CE2 3.66Å; L274-F283 HydrophobicContact CD2-CZ 4.42Å; L274-F283 HydrophobicContact CG-CD2 4.29Å; L274-I309 HydrophobicContact CB-CD1 4.12Å; L274-I309 HydrophobicContact CD1-CD1 3.43Å; L274-I309 VanDerWaalsContact CD1-CD1 3.43Å; L274-I309 HydrophobicContact CG-CD1 4.38Å; L274-C312 HydrophobicContact CB-CB 4.31Å; L274-C312 HydrophobicContact CD2-CB 3.71Å |
| 275 | F | 92.5 | Very high | 88.4 | Confident | 26 Ų | 26 | 34.3 Ų | 34.3 | 11% | 0.114 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -81.1 | -0.9 | -179.2 | -59.3 | -53.7 | 0 | 0 | 0 | 114.6 | I271 E272 E273 L280 F283 L422 L426 I571 | I271-F275 HydrophobicContact CG2-CD2 4.23Å; I271-F275 HydrophobicContact CG2-CE2 3.67Å; I271-F275 HydrophobicContact CG2-CZ 4.35Å; I271-F275 VanDerWaalsContact O-CD2 3.25Å; I271-F275 WeakPolarHBondContact O-CD2 3.46Å; E272-F275 CarbonylContact O-C 3.53Å; E272-F275 PolarHBondContact O-N 3.39Å; E272-F275 VanDerWaalsContact O-N 3.15Å; E273-F275 VanDerWaalsContact C-N 3.28Å; E273-F275 PolarHBondContact O-N 2.83Å; F275-L280 HydrophobicContact CD1-CD2 3.51Å; F275-L280 HydrophobicContact CE1-CD2 3.56Å; F275-L280 HydrophobicContact CG-CD2 4.26Å; F275-L280 HydrophobicContact CZ-CD2 4.33Å; F275-F283 HydrophobicContact CE1-CB 4.42Å; F275-F283 AromaticContact CE1-CD1 3.67Å; F275-F283 HydrophobicContact CE1-CD1 3.67Å; F275-F283 HydrophobicContact CE1-CD2 4.32Å; F275-F283 HydrophobicContact CE1-CE1 4.03Å; F275-F283 AromaticContact CE1-CG 3.82Å; F275-F283 HydrophobicContact CE1-CG 3.82Å; F275-F283 HydrophobicContact CE1-CZ 4.49Å; F275-F283 HydrophobicContact CZ-CD1 4.35Å; F275-F283 HydrophobicContact CZ-CE1 4.26Å; F275-L422 HydrophobicContact CE1-CD1 4.4Å; F275-L422 HydrophobicContact CE2-CD2 4.13Å; F275-L422 HydrophobicContact CZ-CD1 4.03Å; F275-L422 HydrophobicContact CZ-CD2 4.1Å; F275-L426 HydrophobicContact CB-CD1 3.86Å; F275-L426 HydrophobicContact CB-CD2 4.48Å; F275-L426 HydrophobicContact CD2-CD1 3.82Å; F275-L426 HydrophobicContact CD2-CD2 4Å; F275-L426 HydrophobicContact CD2-CG 4.42Å; F275-L426 HydrophobicContact CG-CD1 3.94Å; F275-I571 HydrophobicContact CE2-CD1 4.26Å; F275-I571 HydrophobicContact CE2-CG2 4.32Å |
| 276 | E | 90.1 | Very high | 90.1 | Very high | 112 Ų | 112 | 32.7 Ų | 32.7 | 52% | 0.523 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -97 | -16.1 | 164.9 | -61.4 | -157.9 | 146.3 | 0 | 0 | 112.6 | E272 E273 L274 K430 | E272-E276 PolarHBondContact O-N 3.11Å; E272-E276 VanDerWaalsContact O-N 3.16Å; E273-E276 PolarHBondContact O-N 3.28Å; E273-E276 VanDerWaalsContact O-N 3.1Å; L274-E276 VanDerWaalsContact C-N 3.28Å; L274-E276 PolarHBondContact O-N 3.05Å; E276-K430 WeakPolarHBondContact OE1-CE 3.37Å; E276-K430 IonicContact OE1-NZ 3.46Å; E276-K430 PolarHBondContact OE1-NZ 3.09Å |
| 277 | L | 92.5 | Very high | 91.7 | Very high | 20 Ų | 20 | 30.5 Ų | 30.5 | 11% | 0.105 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -97.5 | -42.8 | 178 | -66.7 | 168.4 | 0 | 0 | 0 | 113.1 | E273 L274 R305 L308 I309 I398 G401 | E273-L277 HydrophobicContact CG-CD1 4.16Å; E273-L277 VanDerWaalsContact O-CG 3.31Å; E273-L277 WeakPolarHBondContact O-CG 3.47Å; E273-L277 PolarHBondContact O-N 2.84Å; E273-L277 VanDerWaalsContact O-N 3.09Å; L274-L277 PolarHBondContact O-N 2.98Å; L277-R305 HydrophobicContact CD1-CG 4Å; L277-L308 HydrophobicContact CD1-CD2 3.82Å; L277-I309 HydrophobicContact CD1-CD1 4.3Å; L277-I398 HydrophobicContact CB-CG2 4.06Å; L277-I398 HydrophobicContact CD1-CG2 4.02Å; L277-I398 HydrophobicContact CG-CG2 4.44Å; L277-G401 WeakPolarHBondContact O-CA 3.16Å |
| 278 | I | 93.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.015 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -120.4 | 133.4 | -178.6 | -51.1 | -178.7 | 0 | 0 | 0 | 108.6 | L274 N282 F283 L286 I309 V396 V403 | L274-I278 HydrophobicContact CD1-CB 4.4Å; L274-I278 HydrophobicContact CD1-CD1 4.18Å; L274-I278 HydrophobicContact CD1-CG1 4.45Å; L274-I278 PolarHBondContact O-N 3.35Å; I278-N282 HydrophobicContact CG2-CB 3.88Å; I278-F283 HydrophobicContact CG2-CB 4.26Å; I278-L286 HydrophobicContact CD1-CD2 4.24Å; I278-I309 HydrophobicContact CD1-CD1 3.96Å; I278-I309 HydrophobicContact CD1-CG1 4.46Å; I278-I309 HydrophobicContact CD1-CG2 4.09Å; I278-I309 HydrophobicContact CG1-CD1 4.35Å; I278-V396 HydrophobicContact CD1-CG1 3.81Å; I278-V403 HydrophobicContact CG2-CG2 4.11Å |
| 279 | D | 92.3 | Very high | 92.7 | Very high | 67 Ų | 67 | 29.6 Ų | 29.6 | 36% | 0.358 | 14% | 0.142 | S | C | . | . | trans | -72.3 | 160.3 | 175.7 | 69.6 | 31.8 | 0 | 0 | 0 | 112.4 | D281 N282 F283 | D279-D281 PolarHBondContact O-N 3.33Å; D279-D281 PolarHBondContact OD1-N 2.76Å; D279-N282 PolarHBondContact O-N 3.28Å; D279-N282 WeakPolarHBondContact OD1-CB 3.26Å; D279-N282 PolarHBondContact OD1-N 2.78Å; D279-N282 PolarHBondContact OD1-ND2 3.36Å; D279-N282 PolarHBondContact OD2-ND2 3.23Å; D279-F283 WeakPolarHBondContact O-CB 3.21Å; D279-F283 PolarHBondContact O-N 2.79Å | ||
| 280 | L | 92.6 | Very high | 93 | Very high | 19 Ų | 19 | 29.3 Ų | 29.3 | 10% | 0.099 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.5 | -28.4 | -172.1 | -68 | 171.9 | 0 | 0 | 0 | 113.4 | F275 I284 K419 L422 L423 | F275-L280 HydrophobicContact CD1-CD2 3.51Å; F275-L280 HydrophobicContact CE1-CD2 3.56Å; F275-L280 HydrophobicContact CG-CD2 4.26Å; F275-L280 HydrophobicContact CZ-CD2 4.33Å; L280-I284 WeakPolarHBondContact O-CB 3.37Å; L280-I284 VanDerWaalsContact O-CG1 3.25Å; L280-I284 WeakPolarHBondContact O-CG1 3.47Å; L280-I284 PolarHBondContact O-N 3.12Å; L280-K419 HydrophobicContact CB-CG 4.1Å; L280-K419 HydrophobicContact CD1-CG 4.08Å; L280-L422 HydrophobicContact CD2-CB 4.24Å; L280-L422 HydrophobicContact CD2-CD1 3.89Å; L280-L423 HydrophobicContact CD1-CD1 4.28Å; L280-L423 HydrophobicContact CD1-CD2 3.6Å; L280-L423 HydrophobicContact CD1-CG 3.56Å |
| 281 | D | 91.7 | Very high | 93.3 | Very high | 81 Ų | 81 | 28 Ų | 28 | 43% | 0.433 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -72.2 | -47.4 | 178.5 | -72.1 | -72.8 | 0 | 0 | 0 | 111.5 | D279 I284 R285 K419 | D279-D281 PolarHBondContact O-N 3.33Å; D279-D281 PolarHBondContact OD1-N 2.76Å; D281-I284 PolarHBondContact O-N 3.09Å; D281-R285 WeakPolarHBondContact O-CG 3.35Å; D281-R285 PolarHBondContact O-N 3.19Å; D281-K419 IonicContact OD1-NZ 3.45Å; D281-K419 PolarHBondContact OD1-NZ 3.03Å; D281-K419 WeakPolarHBondContact OD2-CE 3.26Å; D281-K419 IonicContact OD2-NZ 2.75Å; D281-K419 PolarHBondContact OD2-NZ 2.59Å |
| 282 | N | 93.4 | Very high | 93.4 | Very high | 25 Ų | 25 | 28.8 Ų | 28.8 | 13% | 0.134 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -71.6 | -31.2 | 176.4 | -69.5 | -65 | 0 | 0 | 0 | 112 | I278 D279 R285 L286 V403 | I278-N282 HydrophobicContact CG2-CB 3.88Å; D279-N282 PolarHBondContact O-N 3.28Å; D279-N282 WeakPolarHBondContact OD1-CB 3.26Å; D279-N282 PolarHBondContact OD1-N 2.78Å; D279-N282 PolarHBondContact OD1-ND2 3.36Å; D279-N282 PolarHBondContact OD2-ND2 3.23Å; N282-R285 PolarHBondContact O-N 3.02Å; N282-L286 WeakPolarHBondContact O-CB 3.46Å; N282-L286 PolarHBondContact O-N 3.37Å; N282-V403 HydrophobicContact CB-CB 3.97Å; N282-V403 HydrophobicContact CB-CG2 3.83Å |
| 283 | F | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.9 | -47.5 | 170.8 | 169.4 | -99.4 | 0 | 0 | 0 | 112.4 | L274 F275 I278 D279 R285 L286 F287 V313 L316 F575 | L274-F283 HydrophobicContact CD1-CD2 3.92Å; L274-F283 HydrophobicContact CD1-CE2 4.44Å; L274-F283 HydrophobicContact CD2-CD2 3.86Å; L274-F283 HydrophobicContact CD2-CE2 3.66Å; L274-F283 HydrophobicContact CD2-CZ 4.42Å; L274-F283 HydrophobicContact CG-CD2 4.29Å; F275-F283 HydrophobicContact CE1-CB 4.42Å; F275-F283 AromaticContact CE1-CD1 3.67Å; F275-F283 HydrophobicContact CE1-CD1 3.67Å; F275-F283 HydrophobicContact CE1-CD2 4.32Å; F275-F283 HydrophobicContact CE1-CE1 4.03Å; F275-F283 AromaticContact CE1-CG 3.82Å; F275-F283 HydrophobicContact CE1-CG 3.82Å; F275-F283 HydrophobicContact CE1-CZ 4.49Å; F275-F283 HydrophobicContact CZ-CD1 4.35Å; F275-F283 HydrophobicContact CZ-CE1 4.26Å; I278-F283 HydrophobicContact CG2-CB 4.26Å; D279-F283 WeakPolarHBondContact O-CB 3.21Å; D279-F283 PolarHBondContact O-N 2.79Å; F283-R285 VanDerWaalsContact C-N 3.28Å; F283-R285 PolarHBondContact O-N 3.16Å; F283-L286 PolarHBondContact O-N 3.18Å; F283-L286 VanDerWaalsContact O-N 3.17Å; F283-F287 HydrophobicContact CE1-CB 4.31Å; F283-F287 HydrophobicContact CE2-CB 4.43Å; F283-F287 HydrophobicContact CZ-CB 4.08Å; F283-F287 HydrophobicContact CZ-CD2 4.16Å; F283-F287 HydrophobicContact CZ-CG 4.23Å; F283-F287 WeakPolarHBondContact O-CB 3.43Å; F283-F287 PolarHBondContact O-N 2.95Å; F283-V313 HydrophobicContact CE2-CG2 4.11Å; F283-L316 HydrophobicContact CE2-CD1 4.37Å; F283-L316 HydrophobicContact CZ-CD1 3.76Å; F283-F575 HydrophobicContact CE1-CE1 4.48Å; F283-F575 AromaticContact CE1-CZ 3.85Å; F283-F575 HydrophobicContact CE1-CZ 3.85Å; F283-F575 HydrophobicContact CZ-CZ 4.4Å |
| 284 | I | 94.2 | Very high | 93.9 | Very high | 25 Ų | 25 | 27.9 Ų | 27.9 | 13% | 0.128 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.5 | -39.5 | 178.7 | -71.1 | -69.3 | 0 | 0 | 0 | 110.4 | L280 D281 F287 T288 F412 F575 | L280-I284 WeakPolarHBondContact O-CB 3.37Å; L280-I284 VanDerWaalsContact O-CG1 3.25Å; L280-I284 WeakPolarHBondContact O-CG1 3.47Å; L280-I284 PolarHBondContact O-N 3.12Å; D281-I284 PolarHBondContact O-N 3.09Å; I284-F287 PolarHBondContact O-N 2.88Å; I284-T288 PolarHBondContact O-N 3.39Å; I284-T288 PolarHBondContact O-OG1 3.49Å; I284-T288 VanDerWaalsContact O-OG1 3.09Å; I284-F412 HydrophobicContact CG2-CB 4.08Å; I284-F575 HydrophobicContact CD1-CZ 4.47Å |
| 285 | R | 93.6 | Very high | 93.9 | Very high | 130 Ų | 130 | 29.2 Ų | 29.2 | 49% | 0.491 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -59.4 | -46.7 | 172.6 | -71.6 | 169.4 | 172.8 | 179.5 | -7.2 | 112.9 | D281 N282 F283 F287 T288 C289 V405 | D281-R285 WeakPolarHBondContact O-CG 3.35Å; D281-R285 PolarHBondContact O-N 3.19Å; N282-R285 PolarHBondContact O-N 3.02Å; F283-R285 VanDerWaalsContact C-N 3.28Å; F283-R285 PolarHBondContact O-N 3.16Å; R285-F287 VanDerWaalsContact C-N 3.35Å; R285-T288 PolarHBondContact O-N 3.21Å; R285-C289 PolarHBondContact O-N 3.32Å; R285-C289 PolarHBondContact O-SG 2.93Å; R285-V405 HydrophobicContact CB-CG1 4.31Å |
| 286 | L | 95.3 | Very high | 94 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 175.2 | 175.4 | 55.8 | 0 | 0 | 0 | 111.3 | I278 N282 F283 T288 C289 T290 I296 I309 V313 V396 V403 | I278-L286 HydrophobicContact CD1-CD2 4.24Å; N282-L286 WeakPolarHBondContact O-CB 3.46Å; N282-L286 PolarHBondContact O-N 3.37Å; F283-L286 PolarHBondContact O-N 3.18Å; F283-L286 VanDerWaalsContact O-N 3.17Å; L286-T288 PolarHBondContact O-N 3.19Å; L286-C289 WeakPolarHBondContact O-CB 3.4Å; L286-C289 PolarHBondContact O-N 3.09Å; L286-T290 PolarHBondContact O-N 3.39Å; L286-T290 PolarHBondContact O-OG1 3.22Å; L286-I296 HydrophobicContact CD1-CD1 4.1Å; L286-I296 HydrophobicContact CD1-CG1 4.36Å; L286-I296 HydrophobicContact CD1-CG2 3.97Å; L286-I309 HydrophobicContact CD2-CG2 4.15Å; L286-V313 HydrophobicContact CD2-CG2 4.02Å; L286-V313 HydrophobicContact CG-CG2 4.27Å; L286-V396 HydrophobicContact CD1-CG2 3.59Å; L286-V396 HydrophobicContact CD2-CG1 4.22Å; L286-V396 HydrophobicContact CD2-CG2 3.91Å; L286-V396 HydrophobicContact CG-CG2 4.33Å; L286-V403 HydrophobicContact CB-CG1 4.19Å; L286-V403 HydrophobicContact CB-CG2 4.29Å |
| 287 | F | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 178.2 | -169.8 | -112.5 | 0 | 0 | 0 | 112.2 | F283 I284 R285 T290 L291 L316 L317 F412 F575 F579 | F283-F287 HydrophobicContact CE1-CB 4.31Å; F283-F287 HydrophobicContact CE2-CB 4.43Å; F283-F287 HydrophobicContact CZ-CB 4.08Å; F283-F287 HydrophobicContact CZ-CD2 4.16Å; F283-F287 HydrophobicContact CZ-CG 4.23Å; F283-F287 WeakPolarHBondContact O-CB 3.43Å; F283-F287 PolarHBondContact O-N 2.95Å; I284-F287 PolarHBondContact O-N 2.88Å; R285-F287 VanDerWaalsContact C-N 3.35Å; F287-T290 PolarHBondContact O-N 3.04Å; F287-L291 HydrophobicContact CD1-CD1 3.77Å; F287-L291 HydrophobicContact CE1-CD1 3.54Å; F287-L291 HydrophobicContact CE1-CG 4.4Å; F287-L291 HydrophobicContact CZ-CD1 4.08Å; F287-L291 WeakPolarHBondContact O-CG 3.23Å; F287-L291 PolarHBondContact O-N 2.87Å; F287-L316 HydrophobicContact CE2-CB 3.68Å; F287-L316 HydrophobicContact CZ-CB 4.23Å; F287-L316 WeakPolarHBondContact CZ-O 3.26Å; F287-L317 HydrophobicContact CD2-CD2 4.45Å; F287-L317 HydrophobicContact CE2-CD2 3.86Å; F287-L317 HydrophobicContact CZ-CD2 4.4Å; F287-F412 HydrophobicContact CD1-CE1 4.23Å; F287-F412 HydrophobicContact CD1-CE2 4.49Å; F287-F412 HydrophobicContact CD1-CZ 4.21Å; F287-F412 HydrophobicContact CE1-CE1 4.02Å; F287-F412 HydrophobicContact CE1-CE2 4.22Å; F287-F412 AromaticContact CE1-CZ 3.72Å; F287-F412 HydrophobicContact CE1-CZ 3.72Å; F287-F575 HydrophobicContact CD1-CD1 4.27Å; F287-F575 AromaticContact CD1-CE1 3.86Å; F287-F575 HydrophobicContact CD1-CE1 3.86Å; F287-F575 AromaticContact CE1-CD1 3.48Å; F287-F575 HydrophobicContact CE1-CD1 3.48Å; F287-F575 VanDerWaalsContact CE1-CD1 3.48Å; F287-F575 AromaticContact CE1-CE1 3.55Å; F287-F575 HydrophobicContact CE1-CE1 3.55Å; F287-F575 AromaticContact CZ-CD1 3.64Å; F287-F575 HydrophobicContact CZ-CD1 3.64Å; F287-F575 HydrophobicContact CZ-CE1 4.01Å; F287-F575 HydrophobicContact CZ-CG 4.49Å; F287-F579 HydrophobicContact CE1-CZ 4.07Å; F287-F579 HydrophobicContact CZ-CE2 4.18Å; F287-F579 AromaticContact CZ-CZ 3.97Å; F287-F579 HydrophobicContact CZ-CZ 3.97Å |
| 288 | T | 95.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.018 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 170.9 | -56 | 0 | 0 | 0 | 0 | 111.8 | I284 R285 L286 T290 L291 L292 I409 F628 | I284-T288 PolarHBondContact O-N 3.39Å; I284-T288 PolarHBondContact O-OG1 3.49Å; I284-T288 VanDerWaalsContact O-OG1 3.09Å; R285-T288 PolarHBondContact O-N 3.21Å; L286-T288 PolarHBondContact O-N 3.19Å; T288-T290 PolarHBondContact O-N 2.65Å; T288-L291 PolarHBondContact O-N 2.8Å; T288-L291 VanDerWaalsContact O-N 3.15Å; T288-L292 HydrophobicContact CG2-CD1 3.84Å; T288-L292 HydrophobicContact CG2-CG 4.25Å; T288-L292 WeakPolarHBondContact O-CG 3.49Å; T288-L292 PolarHBondContact O-N 3.22Å; T288-I409 HydrophobicContact CG2-CG2 3.69Å; T288-F628 HydrophobicContact CG2-CD2 4.07Å; T288-F628 HydrophobicContact CG2-CE2 4.17Å |
| 289 | C | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57 | -40.2 | 175.9 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | R285 L286 L292 E293 Y294 C394 I409 | R285-C289 PolarHBondContact O-N 3.32Å; R285-C289 PolarHBondContact O-SG 2.93Å; L286-C289 WeakPolarHBondContact O-CB 3.4Å; L286-C289 PolarHBondContact O-N 3.09Å; C289-L292 PolarHBondContact O-N 3.07Å; C289-E293 PolarHBondContact O-N 2.93Å; C289-Y294 HydrophobicContact CB-CD2 4.14Å; C289-Y294 HydrophobicContact CB-CG 4.31Å; C289-Y294 WeakPolarHBondContact O-CB 3.12Å; C289-Y294 PolarHBondContact O-N 3.05Å; C289-C394 HydrophobicContact CB-CB 4.08Å; C289-I409 WeakPolarHBondContact SG-CD1 3.4Å |
| 290 | T | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.8 | -48.3 | 175.3 | -48.4 | 0 | 0 | 0 | 0 | 111.1 | L286 F287 T288 L292 E293 I296 V313 L317 W322 I345 M637 | L286-T290 PolarHBondContact O-N 3.39Å; L286-T290 PolarHBondContact O-OG1 3.22Å; F287-T290 PolarHBondContact O-N 3.04Å; T288-T290 PolarHBondContact O-N 2.65Å; T290-L292 PolarHBondContact O-N 3.09Å; T290-E293 PolarHBondContact O-N 3.3Å; T290-I296 HydrophobicContact CG2-CD1 4.29Å; T290-I296 WeakPolarHBondContact OG1-CD1 3.36Å; T290-V313 HydrophobicContact CG2-CG1 3.81Å; T290-V313 WeakPolarHBondContact OG1-CG1 3.47Å; T290-L317 HydrophobicContact CG2-CD1 3.91Å; T290-L317 HydrophobicContact CG2-CD2 3.85Å; T290-L317 HydrophobicContact CG2-CG 4.39Å; T290-W322 HydrophobicContact CG2-CE3 3.69Å; T290-W322 HydrophobicContact CG2-CZ3 3.74Å; T290-W322 WeakPolarHBondContact O-CZ3 3.45Å; T290-I345 HydrophobicContact CG2-CD1 4.35Å; T290-M637 VanDerWaalsContact O-CE 3.23Å; T290-M637 WeakPolarHBondContact O-CE 3.14Å |
| 291 | L | 95 | Very high | 94 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.2 | -32.2 | 179.3 | -75.1 | 166.3 | 0 | 0 | 0 | 112.8 | F287 T288 E293 L317 F412 F579 F628 F632 T635 M637 | F287-L291 HydrophobicContact CD1-CD1 3.77Å; F287-L291 HydrophobicContact CE1-CD1 3.54Å; F287-L291 HydrophobicContact CE1-CG 4.4Å; F287-L291 HydrophobicContact CZ-CD1 4.08Å; F287-L291 WeakPolarHBondContact O-CG 3.23Å; F287-L291 PolarHBondContact O-N 2.87Å; T288-L291 PolarHBondContact O-N 2.8Å; T288-L291 VanDerWaalsContact O-N 3.15Å; L291-E293 VanDerWaalsContact C-N 3.3Å; L291-L317 HydrophobicContact CD2-CD2 3.67Å; L291-L317 HydrophobicContact CG-CD2 3.96Å; L291-F412 HydrophobicContact CD1-CD2 3.96Å; L291-F412 HydrophobicContact CD1-CE2 3.4Å; L291-F412 VanDerWaalsContact CD1-CE2 3.4Å; L291-F412 HydrophobicContact CD1-CZ 4.1Å; L291-F579 HydrophobicContact CD1-CE1 4.28Å; L291-F579 HydrophobicContact CD1-CZ 4.01Å; L291-F579 HydrophobicContact CD2-CE1 4.28Å; L291-F579 HydrophobicContact CD2-CZ 3.91Å; L291-F628 HydrophobicContact CB-CE2 4.01Å; L291-F628 HydrophobicContact CB-CZ 3.96Å; L291-F628 HydrophobicContact CD1-CE2 4.24Å; L291-F628 HydrophobicContact CD1-CZ 3.92Å; L291-F628 HydrophobicContact CG-CZ 4.5Å; L291-F632 HydrophobicContact CB-CD2 4.14Å; L291-F632 HydrophobicContact CB-CE2 4.21Å; L291-F632 HydrophobicContact CD2-CD2 4.5Å; L291-F632 HydrophobicContact CD2-CE2 3.8Å; L291-F632 HydrophobicContact CD2-CZ 4.49Å; L291-F632 VanDerWaalsContact O-CD2 3.27Å; L291-F632 WeakPolarHBondContact O-CD2 3.34Å; L291-T635 WeakPolarHBondContact O-CG2 3.35Å; L291-M637 WeakPolarHBondContact O-CE 3.46Å |
| 292 | L | 94.7 | Very high | 93.8 | Very high | 18 Ų | 18 | 21.6 Ų | 21.6 | 9% | 0.094 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 10.2 | 176.5 | -60.7 | 179.7 | 0 | 0 | 0 | 114.1 | T288 C289 T290 Y294 P410 F628 A631 F632 | T288-L292 HydrophobicContact CG2-CD1 3.84Å; T288-L292 HydrophobicContact CG2-CG 4.25Å; T288-L292 WeakPolarHBondContact O-CG 3.49Å; T288-L292 PolarHBondContact O-N 3.22Å; C289-L292 PolarHBondContact O-N 3.07Å; T290-L292 PolarHBondContact O-N 3.09Å; L292-Y294 HydrophobicContact CB-CD1 3.91Å; L292-Y294 HydrophobicContact CB-CE1 3.76Å; L292-Y294 HydrophobicContact CD1-CE1 4.44Å; L292-Y294 WeakPolarHBondContact O-CD1 3.21Å; L292-Y294 PolarHBondContact O-N 2.84Å; L292-P410 HydrophobicContact CD1-CG 3.83Å; L292-F628 HydrophobicContact CD2-CD2 4.19Å; L292-F628 HydrophobicContact CD2-CE2 4.05Å; L292-F628 HydrophobicContact CG-CE2 4.33Å; L292-A631 HydrophobicContact CD2-CB 3.8Å; L292-F632 HydrophobicContact CD2-CB 4.22Å |
| 293 | E | 95 | Very high | 93.6 | Very high | 26 Ų | 26 | 21.8 Ų | 21.8 | 12% | 0.121 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 46.8 | 177.8 | -55.8 | -172.7 | 153.8 | 0 | 0 | 114 | C289 T290 L291 H324 P343 T635 Q636 M637 | C289-E293 PolarHBondContact O-N 2.93Å; T290-E293 PolarHBondContact O-N 3.3Å; L291-E293 VanDerWaalsContact C-N 3.3Å; E293-H324 IonicContact OE1-CD2 2.66Å; E293-H324 IonicContact OE1-NE2 2.73Å; E293-H324 PolarHBondContact OE1-NE2 3.44Å; E293-H324 VanDerWaalsContact OE1-NE2 3.15Å; E293-H324 IonicContact OE2-CD2 3.4Å; E293-H324 IonicContact OE2-CE1 3.1Å; E293-H324 IonicContact OE2-NE2 2.7Å; E293-H324 PolarHBondContact OE2-NE2 2.76Å; E293-P343 HydrophobicContact CB-CB 4.09Å; E293-P343 HydrophobicContact CB-CG 3.9Å; E293-P343 VanDerWaalsContact O-CB 3.22Å; E293-P343 WeakPolarHBondContact O-CB 3.49Å; E293-P343 WeakPolarHBondContact O-CG 3.43Å; E293-T635 HydrophobicContact CG-CG2 3.91Å; E293-Q636 VanDerWaalsContact CD-N 3.32Å; E293-Q636 WeakPolarHBondContact OE1-CA 3.28Å; E293-Q636 WeakPolarHBondContact OE1-CB 3.18Å; E293-Q636 PolarHBondContact OE1-N 3.05Å; E293-Q636 PolarHBondContact OE2-N 3.34Å; E293-M637 HydrophobicContact CG-CE 4.02Å; E293-M637 HydrophobicContact CG-CG 4.45Å; E293-M637 VanDerWaalsContact OE1-CG 3.26Å; E293-M637 WeakPolarHBondContact OE1-CG 3.27Å; E293-M637 PolarHBondContact OE1-N 3.46Å |
| 294 | Y | 94 | Very high | 93.5 | Very high | 29 Ų | 29 | 22.6 Ų | 22.6 | 11% | 0.114 | 10% | 0.099 | C | C | . | . | trans | -79.6 | 164.6 | 174.9 | -77.9 | 22.9 | 0 | 0 | 0 | 112.2 | C289 L292 I296 N392 P406 I409 | C289-Y294 HydrophobicContact CB-CD2 4.14Å; C289-Y294 HydrophobicContact CB-CG 4.31Å; C289-Y294 WeakPolarHBondContact O-CB 3.12Å; C289-Y294 PolarHBondContact O-N 3.05Å; L292-Y294 HydrophobicContact CB-CD1 3.91Å; L292-Y294 HydrophobicContact CB-CE1 3.76Å; L292-Y294 HydrophobicContact CD1-CE1 4.44Å; L292-Y294 WeakPolarHBondContact O-CD1 3.21Å; L292-Y294 PolarHBondContact O-N 2.84Å; Y294-I296 PolarHBondContact O-N 3.47Å; Y294-N392 VanDerWaalsContact CB-O 3.29Å; Y294-N392 WeakPolarHBondContact CB-O 3.06Å; Y294-N392 HydrophobicContact CD1-CB 4.02Å; Y294-N392 HydrophobicContact CD2-CB 4.28Å; Y294-N392 HydrophobicContact CE1-CB 4.21Å; Y294-N392 HydrophobicContact CE2-CB 4.45Å; Y294-N392 HydrophobicContact CG-CB 4.07Å; Y294-P406 HydrophobicContact CD2-CG 4.32Å; Y294-P406 HydrophobicContact CE2-CG 3.9Å; Y294-I409 HydrophobicContact CE2-CD1 3.91Å; Y294-I409 HydrophobicContact CE2-CG1 3.93Å | ||
| 295 | R | 93.5 | Very high | 93.5 | Very high | 28 Ų | 28 | 21.9 Ų | 21.9 | 11% | 0.106 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 102.6 | 172.8 | -63.6 | -179.3 | -161.5 | 133.8 | 5.1 | 109.5 | A340 P341 V342 F344 S389 T391 N392 V393 C394 | R295-A340 PolarHBondContact NE-O 2.86Å; R295-P341 PolarHBondContact NE-O 3.38Å; R295-P341 PolarHBondContact NH2-O 3.45Å; R295-V342 WeakPolarHBondContact CG-O 3.44Å; R295-F344 HydrophobicContact CB-CD1 4.29Å; R295-F344 HydrophobicContact CB-CD2 4.38Å; R295-F344 HydrophobicContact CB-CE1 3.91Å; R295-F344 HydrophobicContact CB-CE2 3.99Å; R295-F344 HydrophobicContact CB-CZ 3.75Å; R295-F344 HydrophobicContact CG-CD1 4.06Å; R295-F344 HydrophobicContact CG-CE1 3.81Å; R295-F344 HydrophobicContact CG-CZ 4.18Å; R295-S389 PolarHBondContact NH1-O 3.16Å; R295-S389 PolarHBondContact NH1-OG 3.17Å; R295-T391 PolarHBondContact NH1-O 3.21Å; R295-N392 PolarHBondContact N-O 3.01Å; R295-V393 HydrophobicContact CB-CG2 4.11Å; R295-V393 CarbonylContact O-C 3.55Å; R295-V393 WeakPolarHBondContact O-CA 3.44Å; R295-C394 PolarHBondContact O-N 3.4Å |
| 296 | I | 95 | Very high | 93.5 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.01 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 121.1 | -174.9 | -64.9 | 166.5 | 0 | 0 | 0 | 110 | L286 T290 Y294 L298 F344 I345 M346 C394 V396 | L286-I296 HydrophobicContact CD1-CD1 4.1Å; L286-I296 HydrophobicContact CD1-CG1 4.36Å; L286-I296 HydrophobicContact CD1-CG2 3.97Å; T290-I296 HydrophobicContact CG2-CD1 4.29Å; T290-I296 WeakPolarHBondContact OG1-CD1 3.36Å; Y294-I296 PolarHBondContact O-N 3.47Å; I296-L298 HydrophobicContact CG2-CD2 3.62Å; I296-L298 HydrophobicContact CG2-CG 4.25Å; I296-F344 PolarHBondContact N-O 2.8Å; I296-I345 HydrophobicContact CB-CG1 4.17Å; I296-I345 HydrophobicContact CD1-CG1 4.17Å; I296-I345 WeakPolarHBondContact O-CA 3.41Å; I296-M346 PolarHBondContact O-N 2.97Å; I296-C394 WeakPolarHBondContact CA-O 3.23Å; I296-C394 HydrophobicContact CG1-CB 4.1Å; I296-V396 HydrophobicContact CG2-CG2 4.29Å |
| 297 | I | 94.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 113.2 | 175.8 | -58.1 | 166.2 | 0 | 0 | 0 | 108.7 | F299 V338 F344 M346 I348 L387 V393 C394 Y395 V396 | I297-F299 HydrophobicContact CB-CE2 4.43Å; I297-F299 HydrophobicContact CG2-CD1 4.41Å; I297-F299 HydrophobicContact CG2-CD2 4.27Å; I297-F299 HydrophobicContact CG2-CE1 3.83Å; I297-F299 HydrophobicContact CG2-CE2 3.67Å; I297-F299 HydrophobicContact CG2-CZ 3.43Å; I297-F299 VanDerWaalsContact CG2-CZ 3.43Å; I297-V338 HydrophobicContact CD1-CG1 3.55Å; I297-V338 HydrophobicContact CG1-CG1 4.19Å; I297-F344 HydrophobicContact CD1-CE2 4.42Å; I297-F344 HydrophobicContact CD1-CZ 4.48Å; I297-F344 HydrophobicContact CG1-CE2 3.69Å; I297-F344 HydrophobicContact CG1-CZ 4.23Å; I297-M346 CarbonylContact C-O 3.51Å; I297-M346 WeakPolarHBondContact CA-O 3.47Å; I297-I348 HydrophobicContact CG2-CD1 3.99Å; I297-I348 HydrophobicContact CG2-CG1 4.49Å; I297-L387 HydrophobicContact CD1-CD1 3.83Å; I297-V393 HydrophobicContact CD1-CG1 3.84Å; I297-C394 PolarHBondContact N-O 3.37Å; I297-Y395 HydrophobicContact CB-CD1 4.19Å; I297-Y395 HydrophobicContact CD1-CD1 3.93Å; I297-Y395 HydrophobicContact CD1-CE1 3.71Å; I297-V396 PolarHBondContact O-N 2.83Å |
| 298 | L | 95.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.01 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 136 | 177.1 | -52.6 | -177.1 | 0 | 0 | 0 | 110.5 | I296 L306 I309 A310 I345 M346 G347 I348 V396 I398 | I296-L298 HydrophobicContact CG2-CD2 3.62Å; I296-L298 HydrophobicContact CG2-CG 4.25Å; L298-L306 HydrophobicContact CB-CD2 3.78Å; L298-L306 WeakPolarHBondContact CD1-O 3.24Å; L298-L306 WeakPolarHBondContact O-CD2 3.39Å; L298-I309 HydrophobicContact CD2-CG2 4.3Å; L298-A310 HydrophobicContact CD1-CB 3.83Å; L298-I345 HydrophobicContact CD1-CG2 4.12Å; L298-I345 HydrophobicContact CG-CG2 4.46Å; L298-M346 PolarHBondContact N-O 3.5Å; L298-G347 CarbonylContact O-C 3.53Å; L298-G347 WeakPolarHBondContact O-CA 3.47Å; L298-I348 PolarHBondContact O-N 2.79Å; L298-V396 HydrophobicContact CD2-CB 3.63Å; L298-V396 HydrophobicContact CD2-CG1 4.02Å; L298-V396 HydrophobicContact CD2-CG2 3.68Å; L298-I398 HydrophobicContact CB-CD1 4.25Å |
| 299 | F | 93.6 | Very high | 93.5 | Very high | 17 Ų | 17 | 15.6 Ų | 15.6 | 8% | 0.075 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 127.6 | 178.2 | -66.4 | -66 | 0 | 0 | 0 | 111.5 | I297 I348 I350 Y395 V396 Y397 I398 | I297-F299 HydrophobicContact CB-CE2 4.43Å; I297-F299 HydrophobicContact CG2-CD1 4.41Å; I297-F299 HydrophobicContact CG2-CD2 4.27Å; I297-F299 HydrophobicContact CG2-CE1 3.83Å; I297-F299 HydrophobicContact CG2-CE2 3.67Å; I297-F299 HydrophobicContact CG2-CZ 3.43Å; I297-F299 VanDerWaalsContact CG2-CZ 3.43Å; F299-I348 HydrophobicContact CD1-CB 4.03Å; F299-I348 HydrophobicContact CE1-CB 4.02Å; F299-I348 HydrophobicContact CE1-CD1 4.05Å; F299-I348 HydrophobicContact CE1-CG2 4.45Å; F299-I350 HydrophobicContact CB-CD1 3.72Å; F299-I350 HydrophobicContact CB-CG1 4.18Å; F299-I350 HydrophobicContact CD1-CD1 3.89Å; F299-I350 HydrophobicContact CD1-CG1 3.91Å; F299-I350 HydrophobicContact CG-CD1 3.95Å; F299-I350 HydrophobicContact CG-CG1 4.38Å; F299-Y395 HydrophobicContact CE2-CD1 4Å; F299-V396 PolarHBondContact N-O 3.39Å; F299-Y397 HydrophobicContact CB-CD1 4.11Å; F299-Y397 HydrophobicContact CB-CE1 4.46Å; F299-Y397 AromaticContact CD2-CD1 3.98Å; F299-Y397 HydrophobicContact CD2-CD1 3.98Å; F299-Y397 HydrophobicContact CD2-CD2 4.4Å; F299-Y397 AromaticContact CD2-CE1 3.68Å; F299-Y397 HydrophobicContact CD2-CE1 3.68Å; F299-Y397 HydrophobicContact CD2-CE2 4.13Å; F299-Y397 HydrophobicContact CD2-CG 4.33Å; F299-Y397 AromaticContact CD2-CZ 3.76Å; F299-Y397 HydrophobicContact CE2-CE1 4.1Å; F299-Y397 HydrophobicContact CE2-CE2 4.31Å; F299-Y397 AromaticContact CE2-CZ 3.82Å; F299-Y397 HydrophobicContact CG-CD1 4.33Å; F299-Y397 HydrophobicContact CG-CE1 4.2Å; F299-I398 WeakPolarHBondContact O-CB 3.31Å; F299-I398 WeakPolarHBondContact O-CG1 3.26Å; F299-I398 PolarHBondContact O-N 3.13Å |
| 300 | S | 92.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.007 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 157.3 | 169.4 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | V302 N349 I350 D399 | S300-V302 VanDerWaalsContact C-N 3.26Å; S300-V302 PolarHBondContact OG-N 3.42Å; S300-V302 PolarHBondContact OG-O 3.12Å; S300-N349 VanDerWaalsContact O-CA 3.25Å; S300-N349 WeakPolarHBondContact O-CA 3.33Å; S300-I350 PolarHBondContact O-N 3.43Å; S300-I350 VanDerWaalsContact O-N 3.17Å; S300-D399 VanDerWaalsContact CA-OD2 3.22Å; S300-D399 WeakPolarHBondContact CA-OD2 3.43Å; S300-D399 VanDerWaalsContact OG-CG 3.24Å; S300-D399 PolarHBondContact OG-OD1 3.48Å; S300-D399 PolarHBondContact OG-OD2 2.87Å |
| 301 | K | 85.4 | Confident | 93.4 | Very high | 99 Ų | 99 | 16.6 Ų | 16.6 | 43% | 0.43 | 8% | 0.076 | S | C | . | . | S | Bend | trans | -78.1 | -13.2 | 169 | -48.5 | -169.2 | -179.7 | -176.4 | 0 | 112 | N349 I350 D352 D399 | K301-N349 PolarHBondContact O-ND2 3.46Å; K301-I350 WeakPolarHBondContact CG-O 3.24Å; K301-D352 IonicContact NZ-OD1 3.19Å; K301-D352 PolarHBondContact NZ-OD1 2.85Å; K301-D399 WeakPolarHBondContact CG-OD2 3.34Å; K301-D399 PolarHBondContact N-OD2 3.11Å |
| 302 | V | 88.4 | Confident | 93.3 | Very high | 45 Ų | 45 | 16.6 Ų | 16.6 | 27% | 0.273 | 8% | 0.076 | S | C | . | . | S | Bend | trans | -118.2 | 111.6 | -174.7 | -179.4 | 0 | 0 | 0 | 0 | 110 | S300 Y304 R305 | S300-V302 VanDerWaalsContact C-N 3.26Å; S300-V302 PolarHBondContact OG-N 3.42Å; S300-V302 PolarHBondContact OG-O 3.12Å; V302-Y304 PolarHBondContact O-N 3.17Å; V302-R305 HydrophobicContact CB-CG 4.22Å; V302-R305 HydrophobicContact CG1-CG 4.31Å; V302-R305 WeakPolarHBondContact O-CB 3.49Å; V302-R305 PolarHBondContact O-N 2.87Å |
| 303 | Y | 90.1 | Very high | 93.3 | Very high | 30 Ų | 30 | 16 Ų | 16 | 12% | 0.118 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -57.5 | -41.9 | -174.6 | -66.6 | -73.7 | 0 | 0 | 0 | 114.4 | P72 Q73 H94 R305 L306 M307 I329 N349 | P72-Y303 HydrophobicContact CB-CE1 3.67Å; P72-Y303 HydrophobicContact CG-CD1 4.01Å; P72-Y303 HydrophobicContact CG-CE1 3.52Å; Q73-Y303 WeakPolarHBondContact CB-OH 3.31Å; Q73-Y303 VanDerWaalsContact CD-OH 3.25Å; Q73-Y303 WeakPolarHBondContact CG-OH 3.44Å; Q73-Y303 PolarHBondContact N-OH 3.11Å; Q73-Y303 PolarHBondContact OE1-OH 2.89Å; H94-Y303 AromaticContact CE1-CG 3.97Å; H94-Y303 WeakPolarHBondContact ND1-CB 3.4Å; H94-Y303 AromaticContact ND1-CG 3.91Å; Y303-R305 PolarHBondContact O-N 3.38Å; Y303-R305 VanDerWaalsContact O-N 3.09Å; Y303-L306 HydrophobicContact CD1-CD1 4.19Å; Y303-L306 WeakPolarHBondContact O-CB 3.45Å; Y303-L306 PolarHBondContact O-N 2.87Å; Y303-M307 PolarHBondContact O-N 3.23Å; Y303-I329 HydrophobicContact CD1-CD1 4.14Å; Y303-I329 HydrophobicContact CD1-CG2 4.38Å; Y303-I329 WeakPolarHBondContact O-CD1 3.26Å; Y303-N349 HydrophobicContact CD1-CB 3.97Å; Y303-N349 HydrophobicContact CE1-CB 3.34Å; Y303-N349 WeakPolarHBondContact CE1-ND2 3.29Å; Y303-N349 WeakPolarHBondContact CE2-ND2 3.27Å; Y303-N349 VanDerWaalsContact CZ-ND2 3.32Å |
| 304 | Y | 92.3 | Very high | 93.1 | Very high | 16 Ų | 16 | 15.7 Ų | 15.7 | 6% | 0.063 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -54.9 | -29.2 | 176.1 | 163 | -87.9 | 0 | 0 | 0 | 113 | R93 T95 F185 Y269 P270 E273 V302 L308 | R93-Y304 HydrophobicContact CB-CD2 4.21Å; R93-Y304 HydrophobicContact CB-CG 4.4Å; R93-Y304 VanDerWaalsContact O-CB 3.27Å; R93-Y304 WeakPolarHBondContact O-CB 3.4Å; T95-Y304 HydrophobicContact CG2-CD2 3.95Å; F185-Y304 HydrophobicContact CE2-CD2 4Å; F185-Y304 HydrophobicContact CE2-CE2 4.12Å; F185-Y304 HydrophobicContact CZ-CD2 4.3Å; Y269-Y304 HydrophobicContact CD1-CE2 4.2Å; Y269-Y304 HydrophobicContact CE1-CE2 4.19Å; P270-Y304 WeakPolarHBondContact CD-OH 3.46Å; E273-Y304 WeakPolarHBondContact OE2-CE1 3.25Å; E273-Y304 PolarHBondContact OE2-OH 3.46Å; V302-Y304 PolarHBondContact O-N 3.17Å; Y304-L308 HydrophobicContact CE1-CB 4.42Å; Y304-L308 HydrophobicContact CE1-CD2 4.05Å; Y304-L308 WeakPolarHBondContact O-CB 3.28Å; Y304-L308 PolarHBondContact O-N 3.25Å |
| 305 | R | 93.8 | Very high | 92.9 | Very high | 11 Ų | 11 | 14.9 Ų | 14.9 | 4% | 0.042 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -69.9 | -38.2 | 175.3 | -71.2 | -169.9 | -179.4 | 114.7 | 25.5 | 113.6 | L277 V302 Y303 M307 L308 I309 I398 D399 S478 | L277-R305 HydrophobicContact CD1-CG 4Å; V302-R305 HydrophobicContact CB-CG 4.22Å; V302-R305 HydrophobicContact CG1-CG 4.31Å; V302-R305 WeakPolarHBondContact O-CB 3.49Å; V302-R305 PolarHBondContact O-N 2.87Å; Y303-R305 PolarHBondContact O-N 3.38Å; Y303-R305 VanDerWaalsContact O-N 3.09Å; R305-M307 VanDerWaalsContact C-N 3.28Å; R305-M307 PolarHBondContact O-N 3.3Å; R305-L308 PolarHBondContact O-N 3.05Å; R305-I309 VanDerWaalsContact O-CG1 3.29Å; R305-I309 WeakPolarHBondContact O-CG1 3.22Å; R305-I309 PolarHBondContact O-N 2.89Å; R305-I398 HydrophobicContact CB-CD1 4.36Å; R305-I398 HydrophobicContact CB-CG2 4.25Å; R305-D399 WeakPolarHBondContact CD-OD1 3.29Å; R305-D399 IonicContact CZ-OD1 3.95Å; R305-D399 IonicContact NE-OD1 3.28Å; R305-D399 IonicContact NH1-OD1 3.57Å; R305-D399 PolarHBondContact NH1-OD1 3.02Å; R305-S478 PolarHBondContact NH1-O 2.94Å; R305-S478 PolarHBondContact NH2-O 3.32Å |
| 306 | L | 94.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.3 | -45.8 | 178.9 | -60.2 | 168.3 | 0 | 0 | 0 | 109.8 | L298 Y303 A310 P328 I329 I398 | L298-L306 HydrophobicContact CB-CD2 3.78Å; L298-L306 WeakPolarHBondContact CD1-O 3.24Å; L298-L306 WeakPolarHBondContact O-CD2 3.39Å; Y303-L306 HydrophobicContact CD1-CD1 4.19Å; Y303-L306 WeakPolarHBondContact O-CB 3.45Å; Y303-L306 PolarHBondContact O-N 2.87Å; L306-A310 WeakPolarHBondContact O-CB 3.32Å; L306-A310 PolarHBondContact O-N 3.26Å; L306-P328 WeakPolarHBondContact CB-O 3.39Å; L306-I329 HydrophobicContact CB-CD1 3.99Å; L306-I329 HydrophobicContact CD1-CD1 4.01Å; L306-I398 HydrophobicContact CD2-CD1 4.06Å |
| 307 | M | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -68 | -48.2 | 174.7 | -173.2 | 62.6 | 83.6 | 0 | 0 | 112.7 | T95 I97 Y269 Y303 R305 I309 A310 E311 P328 | T95-M307 HydrophobicContact CG2-CB 3.96Å; T95-M307 HydrophobicContact CG2-CG 3.91Å; I97-M307 HydrophobicContact CB-CE 4.05Å; I97-M307 HydrophobicContact CD1-CE 3.8Å; I97-M307 HydrophobicContact CD1-SD 3.96Å; I97-M307 HydrophobicContact CG1-CE 3.71Å; I97-M307 HydrophobicContact CG1-SD 4.5Å; Y269-M307 HydrophobicContact CE1-CG 4.13Å; Y269-M307 HydrophobicContact CE2-CG 4.49Å; Y269-M307 WeakPolarHBondContact OH-CG 3.32Å; Y303-M307 PolarHBondContact O-N 3.23Å; R305-M307 VanDerWaalsContact C-N 3.28Å; R305-M307 PolarHBondContact O-N 3.3Å; M307-I309 VanDerWaalsContact C-N 3.3Å; M307-I309 PolarHBondContact O-N 2.81Å; M307-A310 PolarHBondContact O-N 2.9Å; M307-E311 HydrophobicContact CG-CG 3.92Å; M307-E311 WeakPolarHBondContact O-CB 3.47Å; M307-E311 WeakPolarHBondContact O-CG 3.45Å; M307-E311 PolarHBondContact O-N 3.43Å; M307-E311 HydrophobicContact SD-CG 3.48Å; M307-E311 WeakPolarHBondContact SD-CG 3.47Å; M307-P328 HydrophobicContact CE-CB 4.2Å; M307-P328 HydrophobicContact CE-CG 4.28Å; M307-P328 HydrophobicContact SD-CB 3.88Å; M307-P328 HydrophobicContact SD-CG 3.86Å |
| 308 | L | 94.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -50.1 | -48.3 | 177.8 | 167.5 | 67.7 | 0 | 0 | 0 | 112.2 | Y269 P270 E273 L277 Y304 R305 C312 | Y269-L308 HydrophobicContact CD1-CB 4.38Å; Y269-L308 HydrophobicContact CD1-CD1 4.15Å; Y269-L308 HydrophobicContact CG-CD1 4.41Å; P270-L308 HydrophobicContact CG-CD1 4.25Å; E273-L308 HydrophobicContact CB-CD1 4.5Å; E273-L308 HydrophobicContact CB-CD2 3.91Å; E273-L308 VanDerWaalsContact CD-CD2 3.44Å; E273-L308 HydrophobicContact CG-CD2 3.67Å; L277-L308 HydrophobicContact CD1-CD2 3.82Å; Y304-L308 HydrophobicContact CE1-CB 4.42Å; Y304-L308 HydrophobicContact CE1-CD2 4.05Å; Y304-L308 WeakPolarHBondContact O-CB 3.28Å; Y304-L308 PolarHBondContact O-N 3.25Å; R305-L308 PolarHBondContact O-N 3.05Å; L308-C312 WeakPolarHBondContact O-CB 3.17Å; L308-C312 PolarHBondContact O-N 2.94Å; L308-C312 PolarHBondContact O-SG 3.43Å |
| 309 | I | 95.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -70.8 | -43.7 | -178.6 | -60.5 | -63.1 | 0 | 0 | 0 | 110.5 | L274 L277 I278 L286 L298 R305 M307 C312 V313 I398 | L274-I309 HydrophobicContact CB-CD1 4.12Å; L274-I309 HydrophobicContact CD1-CD1 3.43Å; L274-I309 VanDerWaalsContact CD1-CD1 3.43Å; L274-I309 HydrophobicContact CG-CD1 4.38Å; L277-I309 HydrophobicContact CD1-CD1 4.3Å; I278-I309 HydrophobicContact CD1-CD1 3.96Å; I278-I309 HydrophobicContact CD1-CG1 4.46Å; I278-I309 HydrophobicContact CD1-CG2 4.09Å; I278-I309 HydrophobicContact CG1-CD1 4.35Å; L286-I309 HydrophobicContact CD2-CG2 4.15Å; L298-I309 HydrophobicContact CD2-CG2 4.3Å; R305-I309 VanDerWaalsContact O-CG1 3.29Å; R305-I309 WeakPolarHBondContact O-CG1 3.22Å; R305-I309 PolarHBondContact O-N 2.89Å; M307-I309 VanDerWaalsContact C-N 3.3Å; M307-I309 PolarHBondContact O-N 2.81Å; I309-C312 PolarHBondContact O-N 2.71Å; I309-V313 HydrophobicContact CG2-CG2 4.36Å; I309-V313 WeakPolarHBondContact O-CB 3.25Å; I309-V313 VanDerWaalsContact O-CG2 3.23Å; I309-V313 WeakPolarHBondContact O-CG2 3.31Å; I309-V313 PolarHBondContact O-N 3.29Å; I309-I398 HydrophobicContact CB-CD1 4.13Å; I309-I398 HydrophobicContact CD1-CG2 4.24Å; I309-I398 HydrophobicContact CG1-CD1 3.73Å; I309-I398 HydrophobicContact CG1-CG1 4.05Å; I309-I398 HydrophobicContact CG1-CG2 3.87Å |
| 310 | A | 95.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 2% | 0.017 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.9 | -45.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | L298 L306 M307 T314 Y326 P328 I345 | L298-A310 HydrophobicContact CD1-CB 3.83Å; L306-A310 WeakPolarHBondContact O-CB 3.32Å; L306-A310 PolarHBondContact O-N 3.26Å; M307-A310 PolarHBondContact O-N 2.9Å; A310-T314 WeakPolarHBondContact O-CB 3.43Å; A310-T314 WeakPolarHBondContact O-CG2 3.29Å; A310-T314 PolarHBondContact O-N 2.88Å; A310-T314 PolarHBondContact O-OG1 3.04Å; A310-Y326 HydrophobicContact CB-CE2 4.07Å; A310-Y326 WeakPolarHBondContact CB-OH 3.42Å; A310-Y326 PolarHBondContact O-OH 3.31Å; A310-P328 HydrophobicContact CB-CB 3.72Å; A310-P328 HydrophobicContact CB-CG 3.6Å; A310-I345 HydrophobicContact CB-CG2 4.05Å |
| 311 | E | 93.4 | Very high | 91.4 | Very high | 20 Ų | 20 | 17.5 Ų | 17.5 | 9% | 0.093 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -70.2 | -40.3 | 179.3 | -72.1 | -67.6 | 133.5 | 0 | 0 | 111.5 | I97 R105 F267 Y269 M307 T314 C315 Y326 | I97-E311 VanDerWaalsContact CD1-OE1 3.31Å; I97-E311 WeakPolarHBondContact CD1-OE1 3.45Å; R105-E311 IonicContact NH1-OE1 2.68Å; F267-E311 HydrophobicContact CE2-CB 3.93Å; F267-E311 WeakPolarHBondContact CE2-O 3.35Å; F267-E311 VanDerWaalsContact CZ-C 3.47Å; F267-E311 HydrophobicContact CZ-CB 3.97Å; F267-E311 WeakPolarHBondContact CZ-O 3.18Å; Y269-E311 HydrophobicContact CD2-CB 3.71Å; Y269-E311 HydrophobicContact CD2-CG 4.17Å; Y269-E311 HydrophobicContact CE2-CB 3.75Å; Y269-E311 HydrophobicContact CE2-CG 3.66Å; Y269-E311 HydrophobicContact CG-CB 4.46Å; M307-E311 HydrophobicContact CG-CG 3.92Å; M307-E311 WeakPolarHBondContact O-CB 3.47Å; M307-E311 WeakPolarHBondContact O-CG 3.45Å; M307-E311 PolarHBondContact O-N 3.43Å; M307-E311 HydrophobicContact SD-CG 3.48Å; M307-E311 WeakPolarHBondContact SD-CG 3.47Å; E311-T314 PolarHBondContact O-N 2.78Å; E311-T314 PolarHBondContact O-OG1 2.69Å; E311-C315 VanDerWaalsContact O-CB 3.25Å; E311-C315 WeakPolarHBondContact O-CB 3.49Å; E311-C315 PolarHBondContact O-N 2.68Å; E311-Y326 VanDerWaalsContact CD-OH 3.3Å; E311-Y326 PolarHBondContact N-OH 3.34Å; E311-Y326 VanDerWaalsContact OE1-CE1 3.3Å; E311-Y326 WeakPolarHBondContact OE1-CE1 3.3Å; E311-Y326 VanDerWaalsContact OE1-CZ 3.32Å; E311-Y326 PolarHBondContact OE1-OH 3.35Å |
| 312 | C | 94.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65 | -40.7 | 175.2 | -71.8 | 0 | 0 | 0 | 0 | 112.1 | F267 L274 L308 I309 C315 L316 | F267-C312 HydrophobicContact CZ-CB 4.38Å; L274-C312 HydrophobicContact CB-CB 4.31Å; L274-C312 HydrophobicContact CD2-CB 3.71Å; L308-C312 WeakPolarHBondContact O-CB 3.17Å; L308-C312 PolarHBondContact O-N 2.94Å; L308-C312 PolarHBondContact O-SG 3.43Å; I309-C312 PolarHBondContact O-N 2.71Å; C312-C315 PolarHBondContact O-SG 3.27Å; C312-L316 VanDerWaalsContact O-CD1 3.28Å; C312-L316 WeakPolarHBondContact O-CD1 3.35Å; C312-L316 VanDerWaalsContact O-CG 3.24Å; C312-L316 WeakPolarHBondContact O-CG 3.2Å |
| 313 | V | 94.2 | Very high | 91.5 | Very high | 5 Ų | 5 | 15.4 Ų | 15.4 | 3% | 0.03 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66.1 | -45.7 | 177.2 | 166.2 | 0 | 0 | 0 | 0 | 110.7 | F283 L286 T290 I309 L316 | F283-V313 HydrophobicContact CE2-CG2 4.11Å; L286-V313 HydrophobicContact CD2-CG2 4.02Å; L286-V313 HydrophobicContact CG-CG2 4.27Å; T290-V313 HydrophobicContact CG2-CG1 3.81Å; T290-V313 WeakPolarHBondContact OG1-CG1 3.47Å; I309-V313 HydrophobicContact CG2-CG2 4.36Å; I309-V313 WeakPolarHBondContact O-CB 3.25Å; I309-V313 VanDerWaalsContact O-CG2 3.23Å; I309-V313 WeakPolarHBondContact O-CG2 3.31Å; I309-V313 PolarHBondContact O-N 3.29Å; V313-L316 PolarHBondContact O-N 2.96Å |
| 314 | T | 91.9 | Very high | 91.6 | Very high | 19 Ų | 19 | 16.3 Ų | 16.3 | 12% | 0.117 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -72.5 | -32.9 | -178 | 52.6 | 0 | 0 | 0 | 0 | 113.6 | A310 E311 L316 L317 W322 Y326 I345 | A310-T314 WeakPolarHBondContact O-CB 3.43Å; A310-T314 WeakPolarHBondContact O-CG2 3.29Å; A310-T314 PolarHBondContact O-N 2.88Å; A310-T314 PolarHBondContact O-OG1 3.04Å; E311-T314 PolarHBondContact O-N 2.78Å; E311-T314 PolarHBondContact O-OG1 2.69Å; T314-L316 PolarHBondContact O-N 3.45Å; T314-L317 HydrophobicContact CG2-CD1 4.24Å; T314-L317 WeakPolarHBondContact O-CB 3.48Å; T314-L317 PolarHBondContact O-N 2.97Å; T314-W322 HydrophobicContact CG2-CB 3.98Å; T314-Y326 HydrophobicContact CG2-CD2 4.46Å; T314-Y326 HydrophobicContact CG2-CE2 3.74Å; T314-I345 HydrophobicContact CG2-CD1 3.79Å |
| 315 | C | 89.5 | Confident | 91.5 | Very high | 13 Ų | 13 | 18.8 Ų | 18.8 | 9% | 0.088 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -9.7 | 178.7 | 87.4 | 0 | 0 | 0 | 0 | 114.5 | F267 E311 C312 L318 R572 | F267-C315 HydrophobicContact CD2-CB 3.39Å; F267-C315 VanDerWaalsContact CD2-SG 3.56Å; F267-C315 HydrophobicContact CE2-CB 3.43Å; F267-C315 VanDerWaalsContact CE2-CB 3.43Å; F267-C315 VanDerWaalsContact CE2-SG 3.51Å; F267-C315 HydrophobicContact CG-CB 4.01Å; F267-C315 HydrophobicContact CZ-CB 4.08Å; F267-C315 VanDerWaalsContact CZ-SG 3.53Å; E311-C315 VanDerWaalsContact O-CB 3.25Å; E311-C315 WeakPolarHBondContact O-CB 3.49Å; E311-C315 PolarHBondContact O-N 2.68Å; C312-C315 PolarHBondContact O-SG 3.27Å; C315-L318 WeakPolarHBondContact O-CD1 3.42Å; C315-R572 PolarHBondContact O-NE 2.83Å |
| 316 | L | 92.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.016 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -9.4 | 175.5 | -67.1 | 170.2 | 0 | 0 | 0 | 113.5 | F283 F287 C312 V313 T314 L318 I571 R572 F575 | F283-L316 HydrophobicContact CE2-CD1 4.37Å; F283-L316 HydrophobicContact CZ-CD1 3.76Å; F287-L316 HydrophobicContact CE2-CB 3.68Å; F287-L316 HydrophobicContact CZ-CB 4.23Å; F287-L316 WeakPolarHBondContact CZ-O 3.26Å; C312-L316 VanDerWaalsContact O-CD1 3.28Å; C312-L316 WeakPolarHBondContact O-CD1 3.35Å; C312-L316 VanDerWaalsContact O-CG 3.24Å; C312-L316 WeakPolarHBondContact O-CG 3.2Å; V313-L316 PolarHBondContact O-N 2.96Å; T314-L316 PolarHBondContact O-N 3.45Å; L316-L318 PolarHBondContact O-N 3.29Å; L316-I571 HydrophobicContact CD2-CG2 3.99Å; L316-R572 HydrophobicContact CD2-CB 4.34Å; L316-R572 HydrophobicContact CD2-CG 3.62Å; L316-F575 HydrophobicContact CD1-CE2 4.43Å; L316-F575 HydrophobicContact CD2-CD2 3.73Å; L316-F575 HydrophobicContact CD2-CE2 4.29Å; L316-F575 HydrophobicContact CD2-CG 4.27Å |
| 317 | L | 91.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -70.4 | -12.9 | 178.4 | -62.6 | 173.5 | 0 | 0 | 0 | 113.8 | F287 T290 L291 T314 F320 W322 M637 | F287-L317 HydrophobicContact CD2-CD2 4.45Å; F287-L317 HydrophobicContact CE2-CD2 3.86Å; F287-L317 HydrophobicContact CZ-CD2 4.4Å; T290-L317 HydrophobicContact CG2-CD1 3.91Å; T290-L317 HydrophobicContact CG2-CD2 3.85Å; T290-L317 HydrophobicContact CG2-CG 4.39Å; L291-L317 HydrophobicContact CD2-CD2 3.67Å; L291-L317 HydrophobicContact CG-CD2 3.96Å; T314-L317 HydrophobicContact CG2-CD1 4.24Å; T314-L317 WeakPolarHBondContact O-CB 3.48Å; T314-L317 PolarHBondContact O-N 2.97Å; L317-F320 CarbonylContact C-O 3.57Å; L317-F320 HydrophobicContact CB-CB 4.49Å; L317-F320 WeakPolarHBondContact O-CA 3.34Å; L317-F320 VanDerWaalsContact O-CB 3.29Å; L317-F320 WeakPolarHBondContact O-CB 3.42Å; L317-F320 VanDerWaalsContact O-CD2 3.29Å; L317-F320 WeakPolarHBondContact O-CD2 3.5Å; L317-F320 PolarHBondContact O-N 3.21Å; L317-W322 HydrophobicContact CD1-CB 4.27Å; L317-M637 HydrophobicContact CD1-SD 4.06Å |
| 318 | L | 85.2 | Confident | 91.3 | Very high | 13 Ų | 13 | 20.5 Ų | 20.5 | 7% | 0.068 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 129.1 | -172.1 | -62.7 | 173.7 | 0 | 0 | 0 | 112 | L264 C315 L316 Y321 L576 F579 H666 | L264-L318 HydrophobicContact CD2-CD1 4.3Å; C315-L318 WeakPolarHBondContact O-CD1 3.42Å; L316-L318 PolarHBondContact O-N 3.29Å; L318-Y321 HydrophobicContact CD2-CD1 4.28Å; L318-Y321 HydrophobicContact CD2-CE1 3.86Å; L318-L576 HydrophobicContact CB-CD1 4.39Å; L318-L576 VanDerWaalsContact O-CD1 3.32Å; L318-L576 WeakPolarHBondContact O-CD1 3.41Å; L318-F579 VanDerWaalsContact O-CD2 3.26Å; L318-F579 WeakPolarHBondContact O-CD2 3.45Å; L318-H666 VanDerWaalsContact CD1-ND1 3.35Å; L318-H666 WeakPolarHBondContact CD1-ND1 3.38Å; L318-H666 HydrophobicContact CD2-CB 3.88Å |
| 319 | P | 85.1 | Confident | 91.2 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.013 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -86.1 | 0 | 19.8 | 36.9 | -40.5 | 0 | 0 | 0 | 116 | Y321 F641 F670 | P319-Y321 WeakPolarHBondContact O-CE2 3.48Å; P319-F641 HydrophobicContact CB-CD2 4.23Å; P319-F641 HydrophobicContact CB-CE2 4.01Å; P319-F641 HydrophobicContact CG-CD2 4.13Å; P319-F641 HydrophobicContact CG-CE2 3.79Å; P319-F670 HydrophobicContact CB-CB 3.99Å; P319-F670 HydrophobicContact CB-CD1 4.14Å; P319-F670 HydrophobicContact CB-CD2 4.13Å; P319-F670 HydrophobicContact CB-CG 3.84Å; P319-F670 HydrophobicContact CG-CB 4.48Å; P319-F670 HydrophobicContact CG-CD1 3.88Å; P319-F670 HydrophobicContact CG-CD2 3.76Å; P319-F670 HydrophobicContact CG-CE1 3.93Å; P319-F670 HydrophobicContact CG-CE2 3.79Å; P319-F670 HydrophobicContact CG-CG 3.79Å; P319-F670 HydrophobicContact CG-CZ 3.88Å |
| 320 | F | 90 | Very high | 91 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | trans | -81.8 | 163.9 | 177.7 | -46.1 | -71.6 | 0 | 0 | 0 | 111.3 | L317 F579 F583 F632 M637 F638 F641 | L317-F320 CarbonylContact C-O 3.57Å; L317-F320 HydrophobicContact CB-CB 4.49Å; L317-F320 WeakPolarHBondContact O-CA 3.34Å; L317-F320 VanDerWaalsContact O-CB 3.29Å; L317-F320 WeakPolarHBondContact O-CB 3.42Å; L317-F320 VanDerWaalsContact O-CD2 3.29Å; L317-F320 WeakPolarHBondContact O-CD2 3.5Å; L317-F320 PolarHBondContact O-N 3.21Å; F320-F579 HydrophobicContact CD2-CE1 4.43Å; F320-F579 HydrophobicContact CD2-CZ 4.5Å; F320-F579 AromaticContact CE2-CD1 3.88Å; F320-F579 HydrophobicContact CE2-CD1 3.88Å; F320-F579 HydrophobicContact CE2-CE1 4.07Å; F320-F579 HydrophobicContact CE2-CG 4.19Å; F320-F583 HydrophobicContact CE2-CE2 4.04Å; F320-F583 HydrophobicContact CZ-CD2 4.14Å; F320-F583 AromaticContact CZ-CE2 3.7Å; F320-F583 HydrophobicContact CZ-CE2 3.7Å; F320-F583 HydrophobicContact CZ-CZ 4.14Å; F320-F632 AromaticContact CD1-CZ 3.99Å; F320-F632 HydrophobicContact CD1-CZ 3.99Å; F320-F632 AromaticContact CD2-CZ 3.83Å; F320-F632 HydrophobicContact CD2-CZ 3.83Å; F320-F632 HydrophobicContact CE1-CE1 4.07Å; F320-F632 AromaticContact CE1-CZ 3.84Å; F320-F632 HydrophobicContact CE1-CZ 3.84Å; F320-F632 HydrophobicContact CE2-CE1 4.09Å; F320-F632 AromaticContact CE2-CZ 3.67Å; F320-F632 HydrophobicContact CE2-CZ 3.67Å; F320-F632 AromaticContact CG-CZ 4Å; F320-F632 HydrophobicContact CG-CZ 4Å; F320-F632 AromaticContact CZ-CE1 3.76Å; F320-F632 HydrophobicContact CZ-CE1 3.76Å; F320-F632 AromaticContact CZ-CZ 3.68Å; F320-F632 HydrophobicContact CZ-CZ 3.68Å; F320-M637 HydrophobicContact CB-CB 4.43Å; F320-M637 HydrophobicContact CB-SD 4.39Å; F320-F638 HydrophobicContact CE1-CD2 4.03Å; F320-F641 HydrophobicContact CD1-CB 3.8Å; F320-F641 HydrophobicContact CD1-CD2 4.25Å; F320-F641 HydrophobicContact CD1-CG 4.02Å; F320-F641 HydrophobicContact CE1-CB 3.89Å; F320-F641 AromaticContact CE1-CD1 3.94Å; F320-F641 HydrophobicContact CE1-CD1 3.94Å; F320-F641 HydrophobicContact CE1-CD2 4.01Å; F320-F641 HydrophobicContact CE1-CE1 4.5Å; F320-F641 AromaticContact CE1-CG 3.67Å; F320-F641 HydrophobicContact CE1-CG 3.67Å | ||
| 321 | Y | 86.9 | Confident | 90.6 | Very high | 86 Ų | 86 | 21.8 Ų | 21.8 | 34% | 0.337 | 11% | 0.114 | S | C | . | . | trans | -140.6 | 141.4 | -178.1 | -56.1 | -90.8 | 0 | 0 | 0 | 110 | L318 P319 L323 M637 S664 H666 | L318-Y321 HydrophobicContact CD2-CD1 4.28Å; L318-Y321 HydrophobicContact CD2-CE1 3.86Å; P319-Y321 WeakPolarHBondContact O-CE2 3.48Å; Y321-L323 PolarHBondContact O-N 3.13Å; Y321-M637 WeakPolarHBondContact O-CG 3.32Å; Y321-S664 VanDerWaalsContact OH-CB 3.24Å; Y321-S664 WeakPolarHBondContact OH-CB 3.25Å; Y321-S664 PolarHBondContact OH-OG 2.93Å; Y321-H666 AromaticContact CE1-CD2 3.93Å; Y321-H666 WeakPolarHBondContact OH-CB 3.41Å; Y321-H666 PolarHBondContact OH-CD2 3.29Å | ||
| 322 | W | 90.4 | Very high | 89.8 | Confident | 16 Ų | 16 | 23.8 Ų | 23.8 | 6% | 0.061 | 13% | 0.127 | C | C | . | . | trans | -69 | 116.2 | 173.3 | -171.6 | -93.3 | 0 | 0 | 0 | 111.3 | T290 T314 L317 H324 V325 Y326 P343 F344 I345 M637 | T290-W322 HydrophobicContact CG2-CE3 3.69Å; T290-W322 HydrophobicContact CG2-CZ3 3.74Å; T290-W322 WeakPolarHBondContact O-CZ3 3.45Å; T314-W322 HydrophobicContact CG2-CB 3.98Å; L317-W322 HydrophobicContact CD1-CB 4.27Å; W322-H324 VanDerWaalsContact CD1-O 3.31Å; W322-H324 HydrophobicContact CZ2-CB 3.92Å; W322-H324 PolarHBondContact NE1-O 3.26Å; W322-V325 PolarHBondContact NE1-O 3.02Å; W322-Y326 AromaticContact CD1-CD2 3.94Å; W322-P343 HydrophobicContact CH2-CB 4.09Å; W322-P343 HydrophobicContact CZ2-CB 4.12Å; W322-F344 VanDerWaalsContact CZ2-C 3.48Å; W322-I345 HydrophobicContact CD2-CD1 3.7Å; W322-I345 HydrophobicContact CD2-CG1 4.17Å; W322-I345 HydrophobicContact CE3-CD1 3.98Å; W322-I345 HydrophobicContact CE3-CG1 4.49Å; W322-I345 HydrophobicContact CG-CD1 4.08Å; W322-I345 HydrophobicContact CH2-CG1 4.2Å; W322-I345 HydrophobicContact CZ2-CD1 4.33Å; W322-I345 HydrophobicContact CZ2-CG1 3.87Å; W322-I345 HydrophobicContact CZ3-CD1 4.38Å; W322-I345 HydrophobicContact CZ3-CG1 4.5Å; W322-M637 HydrophobicContact CE3-SD 4.43Å | ||
| 323 | L | 86.5 | Confident | 88.8 | Confident | 84 Ų | 84 | 25.8 Ų | 25.8 | 44% | 0.44 | 14% | 0.141 | S | C | . | . | trans | -102.7 | -15.2 | -174.9 | -68 | 160.2 | 0 | 0 | 0 | 114 | Y321 Q636 | Y321-L323 PolarHBondContact O-N 3.13Å; L323-Q636 HydrophobicContact CD1-CG 4.13Å | ||
| 324 | H | 91.5 | Very high | 88.3 | Confident | 49 Ų | 49 | 28.3 Ų | 28.3 | 23% | 0.227 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -89 | -172.7 | -176.8 | -59.3 | -70.5 | 0 | 0 | 0 | 111.5 | E293 W322 Y326 P343 | E293-H324 IonicContact OE1-CD2 2.66Å; E293-H324 IonicContact OE1-NE2 2.73Å; E293-H324 PolarHBondContact OE1-NE2 3.44Å; E293-H324 VanDerWaalsContact OE1-NE2 3.15Å; E293-H324 IonicContact OE2-CD2 3.4Å; E293-H324 IonicContact OE2-CE1 3.1Å; E293-H324 IonicContact OE2-NE2 2.7Å; E293-H324 PolarHBondContact OE2-NE2 2.76Å; W322-H324 VanDerWaalsContact CD1-O 3.31Å; W322-H324 HydrophobicContact CZ2-CB 3.92Å; W322-H324 PolarHBondContact NE1-O 3.26Å; H324-Y326 PolarHBondContact O-N 3.22Å; H324-P343 HydrophobicContact CB-CB 3.96Å; H324-P343 WeakPolarHBondContact CB-O 3.1Å |
| 325 | V | 91.6 | Very high | 87.8 | Confident | 68 Ų | 68 | 29.1 Ų | 29.1 | 41% | 0.412 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 133.3 | -176.1 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | W322 V342 F344 I345 M346 | W322-V325 PolarHBondContact NE1-O 3.02Å; V325-V342 HydrophobicContact CG2-CG2 4.16Å; V325-F344 HydrophobicContact CB-CB 3.87Å; V325-F344 HydrophobicContact CG1-CB 4.43Å; V325-F344 CarbonylContact O-C 3.57Å; V325-F344 VanDerWaalsContact O-CA 3.29Å; V325-F344 WeakPolarHBondContact O-CA 3.31Å; V325-I345 PolarHBondContact O-N 3Å; V325-M346 HydrophobicContact CG1-CE 3.86Å |
| 326 | Y | 92.4 | Very high | 87.3 | Confident | 17 Ų | 17 | 33.8 Ų | 33.8 | 7% | 0.067 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 100.7 | -176.3 | -170.6 | -104.1 | 0 | 0 | 0 | 109.5 | I97 R105 A310 E311 T314 W322 H324 P328 I345 | I97-Y326 HydrophobicContact CD1-CE1 3.97Å; R105-Y326 VanDerWaalsContact CZ-CD1 3.47Å; R105-Y326 VanDerWaalsContact NH1-CD1 3.35Å; A310-Y326 HydrophobicContact CB-CE2 4.07Å; A310-Y326 WeakPolarHBondContact CB-OH 3.42Å; A310-Y326 PolarHBondContact O-OH 3.31Å; E311-Y326 VanDerWaalsContact CD-OH 3.3Å; E311-Y326 PolarHBondContact N-OH 3.34Å; E311-Y326 VanDerWaalsContact OE1-CE1 3.3Å; E311-Y326 WeakPolarHBondContact OE1-CE1 3.3Å; E311-Y326 VanDerWaalsContact OE1-CZ 3.32Å; E311-Y326 PolarHBondContact OE1-OH 3.35Å; T314-Y326 HydrophobicContact CG2-CD2 4.46Å; T314-Y326 HydrophobicContact CG2-CE2 3.74Å; W322-Y326 AromaticContact CD1-CD2 3.94Å; H324-Y326 PolarHBondContact O-N 3.22Å; Y326-P328 HydrophobicContact CD1-CG 3.98Å; Y326-P328 HydrophobicContact CD2-CG 4.4Å; Y326-P328 HydrophobicContact CE1-CG 3.46Å; Y326-P328 VanDerWaalsContact CE1-CG 3.46Å; Y326-P328 HydrophobicContact CE2-CG 3.9Å; Y326-P328 HydrophobicContact CG-CG 4.43Å; Y326-P328 VanDerWaalsContact CZ-CG 3.41Å; Y326-I345 HydrophobicContact CD2-CB 3.94Å; Y326-I345 HydrophobicContact CD2-CD1 4.04Å; Y326-I345 HydrophobicContact CD2-CG2 4.38Å; Y326-I345 HydrophobicContact CE2-CB 4.24Å; Y326-I345 HydrophobicContact CE2-CD1 4Å; Y326-I345 HydrophobicContact CE2-CG2 4.23Å |
| 327 | A | 92.4 | Very high | 87.1 | Confident | 28 Ų | 28 | 38.8 Ų | 38.8 | 23% | 0.231 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 71.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I329 I345 M346 G347 | A327-I329 PolarHBondContact O-N 3.4Å; A327-I345 CarbonylContact C-O 3.28Å; A327-I345 PolarHBondContact N-O 3.32Å; A327-M346 HydrophobicContact CB-CG 4.49Å; A327-M346 WeakPolarHBondContact O-CA 3.41Å; A327-G347 PolarHBondContact O-N 2.86Å; A327-G347 VanDerWaalsContact O-N 3.09Å |
| 328 | P | 92.6 | Very high | 86.8 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.019 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -58.6 | -16.5 | -179 | -25.2 | 36 | 0 | 0 | 0 | 114.4 | L306 M307 A310 Y326 G347 | L306-P328 WeakPolarHBondContact CB-O 3.39Å; M307-P328 HydrophobicContact CE-CB 4.2Å; M307-P328 HydrophobicContact CE-CG 4.28Å; M307-P328 HydrophobicContact SD-CB 3.88Å; M307-P328 HydrophobicContact SD-CG 3.86Å; A310-P328 HydrophobicContact CB-CB 3.72Å; A310-P328 HydrophobicContact CB-CG 3.6Å; Y326-P328 HydrophobicContact CD1-CG 3.98Å; Y326-P328 HydrophobicContact CD2-CG 4.4Å; Y326-P328 HydrophobicContact CE1-CG 3.46Å; Y326-P328 VanDerWaalsContact CE1-CG 3.46Å; Y326-P328 HydrophobicContact CE2-CG 3.9Å; Y326-P328 HydrophobicContact CG-CG 4.43Å; Y326-P328 VanDerWaalsContact CZ-CG 3.41Å; P328-G347 VanDerWaalsContact O-CA 3.29Å; P328-G347 WeakPolarHBondContact O-CA 3.36Å |
| 329 | I | 93.3 | Very high | 86.9 | Confident | 14 Ų | 14 | 41.6 Ų | 41.6 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -123.7 | 105.5 | 171.1 | -54.6 | -64.5 | 0 | 0 | 0 | 107.3 | P72 T95 F96 Y303 L306 A327 | P72-I329 HydrophobicContact CB-CG2 4.07Å; P72-I329 HydrophobicContact CG-CG2 3.38Å; T95-I329 WeakPolarHBondContact O-CG1 3.34Å; F96-I329 HydrophobicContact CB-CB 4.39Å; F96-I329 HydrophobicContact CB-CG1 4.07Å; Y303-I329 HydrophobicContact CD1-CD1 4.14Å; Y303-I329 HydrophobicContact CD1-CG2 4.38Å; Y303-I329 WeakPolarHBondContact O-CD1 3.26Å; L306-I329 HydrophobicContact CB-CD1 3.99Å; L306-I329 HydrophobicContact CD1-CD1 4.01Å; A327-I329 PolarHBondContact O-N 3.4Å |
| 330 | L | 90.4 | Very high | 86.9 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | trans | -104.2 | 113.4 | 175.6 | -169 | 66.2 | 0 | 0 | 0 | 109.5 | L334 V338 M346 G347 I348 | L330-L334 HydrophobicContact CD1-CB 3.75Å; L330-L334 HydrophobicContact CG-CB 4.29Å; L330-V338 HydrophobicContact CD2-CG2 3.71Å; L330-M346 HydrophobicContact CD2-CB 4.43Å; L330-M346 HydrophobicContact CD2-SD 3.9Å; L330-G347 WeakPolarHBondContact CB-O 3.43Å; L330-G347 PolarHBondContact N-O 3.46Å; L330-I348 HydrophobicContact CD2-CG1 4.42Å | ||
| 331 | P | 87.2 | Confident | 86.8 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | trans | -58.7 | 150.6 | 173.8 | -23.4 | 33 | 0 | 0 | 0 | 113 | L68 V69 P72 S333 L334 T335 | L68-P331 HydrophobicContact CD1-CB 3.78Å; L68-P331 HydrophobicContact CD1-CG 4.23Å; L68-P331 HydrophobicContact CD2-CB 4.21Å; L68-P331 HydrophobicContact CD2-CG 4.01Å; L68-P331 HydrophobicContact CG-CB 3.83Å; L68-P331 HydrophobicContact CG-CG 3.7Å; V69-P331 HydrophobicContact CG1-CG 4.37Å; P72-P331 HydrophobicContact CB-CB 4.34Å; P72-P331 HydrophobicContact CB-CG 4.48Å; P72-P331 WeakPolarHBondContact O-CA 3.26Å; P331-S333 PolarHBondContact O-N 2.81Å; P331-L334 HydrophobicContact CB-CG 4.33Å; P331-L334 HydrophobicContact CG-CD1 4.16Å; P331-L334 HydrophobicContact CG-CG 4.47Å; P331-L334 WeakPolarHBondContact O-CA 3.38Å; P331-L334 PolarHBondContact O-N 3.26Å; P331-T335 PolarHBondContact O-N 3.16Å | ||
| 332 | V | 75.8 | Confident | 86.9 | Confident | 63 Ų | 63 | 46.8 Ų | 46.8 | 38% | 0.382 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -62.6 | -27.7 | -176.4 | 176.7 | 0 | 0 | 0 | 0 | 112.7 | F25 P72 Q73 L334 T335 | F25-V332 HydrophobicContact CE1-CB 4.31Å; P72-V332 PolarHBondContact O-N 2.75Å; Q73-V332 HydrophobicContact CB-CG2 4.49Å; Q73-V332 HydrophobicContact CG-CG2 3.62Å; V332-L334 PolarHBondContact O-N 3.06Å; V332-T335 PolarHBondContact O-OG1 3.46Å; V332-T335 VanDerWaalsContact O-OG1 3.09Å |
| 333 | S | 73.4 | Confident | 87 | Confident | 41 Ų | 41 | 47.2 Ų | 47.2 | 29% | 0.287 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -66.9 | -21.3 | 171.9 | 50 | 0 | 0 | 0 | 0 | 114 | P331 H336 | P331-S333 PolarHBondContact O-N 2.81Å; S333-H336 PolarHBondContact O-CE1 3.32Å; S333-H336 PolarHBondContact O-ND1 3.41Å; S333-H336 VanDerWaalsContact O-ND1 3.16Å |
| 334 | L | 83.5 | Confident | 87.4 | Confident | 58 Ų | 58 | 43.2 Ų | 43.2 | 30% | 0.304 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -108.5 | 7.3 | -173 | -55.2 | -170.9 | 0 | 0 | 0 | 113.3 | L68 L330 P331 V332 H336 F337 | L68-L334 HydrophobicContact CD2-CD1 4.35Å; L330-L334 HydrophobicContact CD1-CB 3.75Å; L330-L334 HydrophobicContact CG-CB 4.29Å; P331-L334 HydrophobicContact CB-CG 4.33Å; P331-L334 HydrophobicContact CG-CD1 4.16Å; P331-L334 HydrophobicContact CG-CG 4.47Å; P331-L334 WeakPolarHBondContact O-CA 3.38Å; P331-L334 PolarHBondContact O-N 3.26Å; V332-L334 PolarHBondContact O-N 3.06Å; L334-H336 PolarHBondContact O-N 3.18Å; L334-H336 VanDerWaalsContact O-N 3.12Å; L334-F337 HydrophobicContact CB-CD2 4.12Å; L334-F337 HydrophobicContact CD2-CE2 4.26Å; L334-F337 WeakPolarHBondContact O-CD2 3.32Å; L334-F337 PolarHBondContact O-N 3.46Å |
| 335 | T | 81.2 | Confident | 87.6 | Confident | 37 Ų | 37 | 41 Ų | 41 | 23% | 0.227 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -59.7 | -23.1 | 179.3 | 48.6 | 0 | 0 | 0 | 0 | 114.1 | P331 V332 F337 V338 | P331-T335 PolarHBondContact O-N 3.16Å; V332-T335 PolarHBondContact O-OG1 3.46Å; V332-T335 VanDerWaalsContact O-OG1 3.09Å; T335-F337 PolarHBondContact O-N 3.38Å; T335-F337 VanDerWaalsContact O-N 3.16Å; T335-V338 WeakPolarHBondContact O-CB 3.23Å; T335-V338 WeakPolarHBondContact O-CG2 3.3Å; T335-V338 PolarHBondContact O-N 3.32Å; T335-V338 VanDerWaalsContact O-N 3.09Å |
| 336 | H | 80.8 | Confident | 87.7 | Confident | 111 Ų | 111 | 38 Ų | 38 | 51% | 0.514 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -64 | -13.4 | 174.5 | 66.1 | -92.8 | 0 | 0 | 0 | 114 | S333 L334 V338 | S333-H336 PolarHBondContact O-CE1 3.32Å; S333-H336 PolarHBondContact O-ND1 3.41Å; S333-H336 VanDerWaalsContact O-ND1 3.16Å; L334-H336 PolarHBondContact O-N 3.18Å; L334-H336 VanDerWaalsContact O-N 3.12Å; H336-V338 PolarHBondContact O-N 3.14Å |
| 337 | F | 86.4 | Confident | 87.8 | Confident | 108 Ų | 108 | 37.2 Ų | 37.2 | 47% | 0.474 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -75.7 | -9.4 | 172 | -76 | -72.4 | 0 | 0 | 0 | 113.9 | L334 T335 D339 A340 M346 | L334-F337 HydrophobicContact CB-CD2 4.12Å; L334-F337 HydrophobicContact CD2-CE2 4.26Å; L334-F337 WeakPolarHBondContact O-CD2 3.32Å; L334-F337 PolarHBondContact O-N 3.46Å; T335-F337 PolarHBondContact O-N 3.38Å; T335-F337 VanDerWaalsContact O-N 3.16Å; F337-D339 PolarHBondContact O-N 3.02Å; F337-A340 WeakPolarHBondContact O-CB 3.25Å; F337-A340 PolarHBondContact O-N 3.19Å; F337-A340 VanDerWaalsContact O-N 3.14Å; F337-M346 HydrophobicContact CB-CE 4.19Å; F337-M346 WeakPolarHBondContact O-CE 3.2Å |
| 338 | V | 86.9 | Confident | 87.7 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -66.2 | -23.7 | 177.2 | 178 | 0 | 0 | 0 | 0 | 111.9 | I297 L330 T335 H336 A340 F344 M346 I348 V385 L387 | I297-V338 HydrophobicContact CD1-CG1 3.55Å; I297-V338 HydrophobicContact CG1-CG1 4.19Å; L330-V338 HydrophobicContact CD2-CG2 3.71Å; T335-V338 WeakPolarHBondContact O-CB 3.23Å; T335-V338 WeakPolarHBondContact O-CG2 3.3Å; T335-V338 PolarHBondContact O-N 3.32Å; T335-V338 VanDerWaalsContact O-N 3.09Å; H336-V338 PolarHBondContact O-N 3.14Å; V338-A340 PolarHBondContact O-N 2.68Å; V338-F344 HydrophobicContact CG1-CZ 4.16Å; V338-F344 VanDerWaalsContact O-CE1 3.28Å; V338-F344 WeakPolarHBondContact O-CE1 3.37Å; V338-F344 VanDerWaalsContact O-CZ 3.25Å; V338-F344 WeakPolarHBondContact O-CZ 3.45Å; V338-M346 HydrophobicContact CG2-SD 4.06Å; V338-I348 HydrophobicContact CG2-CD1 3.87Å; V338-V385 HydrophobicContact CB-CG1 4.37Å; V338-V385 HydrophobicContact CG1-CG1 3.97Å; V338-L387 HydrophobicContact CG1-CD1 4.34Å; V338-L387 HydrophobicContact CG1-CD2 4.11Å; V338-L387 HydrophobicContact CG1-CG 4.23Å; V338-L387 WeakPolarHBondContact O-CD2 3.23Å |
| 339 | D | 85.6 | Confident | 87.4 | Confident | 70 Ų | 70 | 37.3 Ų | 37.3 | 37% | 0.374 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -73.3 | 4.1 | 173.2 | -68.1 | -55.4 | 0 | 0 | 0 | 114.4 | F337 L387 A388 | F337-D339 PolarHBondContact O-N 3.02Å; D339-L387 WeakPolarHBondContact OD1-CA 3.36Å; D339-A388 HydrophobicContact CB-CB 4.27Å; D339-A388 WeakPolarHBondContact OD1-CB 3.25Å; D339-A388 PolarHBondContact OD1-N 2.86Å |
| 340 | A | 86.5 | Confident | 86.8 | Confident | 23 Ų | 23 | 39.1 Ų | 39.1 | 19% | 0.19 | 22% | 0.219 | C | C | . | . | trans | -60.4 | 127.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R295 F337 V338 V342 F344 | R295-A340 PolarHBondContact NE-O 2.86Å; F337-A340 WeakPolarHBondContact O-CB 3.25Å; F337-A340 PolarHBondContact O-N 3.19Å; F337-A340 VanDerWaalsContact O-N 3.14Å; V338-A340 PolarHBondContact O-N 2.68Å; A340-V342 HydrophobicContact CB-CG2 4.19Å; A340-V342 PolarHBondContact O-N 3.09Å; A340-F344 HydrophobicContact CB-CD1 4.16Å; A340-F344 HydrophobicContact CB-CE1 4.26Å | ||
| 341 | P | 86.6 | Confident | 85.5 | Confident | 105 Ų | 105 | 42.3 Ų | 42.3 | 68% | 0.682 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -74.2 | -15.1 | -176 | 29.2 | -35.8 | 0 | 0 | 0 | 113.6 | R295 | R295-P341 PolarHBondContact NE-O 3.38Å; R295-P341 PolarHBondContact NH2-O 3.45Å |
| 342 | V | 90.3 | Very high | 83.7 | Confident | 70 Ų | 70 | 44.6 Ų | 44.6 | 42% | 0.424 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -78 | 162.1 | 177.3 | -63.9 | 0 | 0 | 0 | 0 | 111.8 | R295 V325 A340 F344 | R295-V342 WeakPolarHBondContact CG-O 3.44Å; V325-V342 HydrophobicContact CG2-CG2 4.16Å; A340-V342 HydrophobicContact CB-CG2 4.19Å; A340-V342 PolarHBondContact O-N 3.09Å; V342-F344 WeakPolarHBondContact O-CD1 3.39Å |
| 343 | P | 92.3 | Very high | 81.9 | Confident | 26 Ų | 26 | 47.5 Ų | 47.5 | 17% | 0.169 | 27% | 0.274 | C | S | . | . | trans | -58.4 | 148.9 | 167.8 | -23.5 | 35.7 | 0 | 0 | 0 | 111.8 | E293 W322 H324 | E293-P343 HydrophobicContact CB-CB 4.09Å; E293-P343 HydrophobicContact CB-CG 3.9Å; E293-P343 VanDerWaalsContact O-CB 3.22Å; E293-P343 WeakPolarHBondContact O-CB 3.49Å; E293-P343 WeakPolarHBondContact O-CG 3.43Å; W322-P343 HydrophobicContact CH2-CB 4.09Å; W322-P343 HydrophobicContact CZ2-CB 4.12Å; H324-P343 HydrophobicContact CB-CB 3.96Å; H324-P343 WeakPolarHBondContact CB-O 3.1Å | ||
| 344 | F | 94.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 160.2 | 174.2 | 57 | -111.6 | 0 | 0 | 0 | 112.2 | R295 I296 I297 W322 V325 V338 A340 V342 M346 | R295-F344 HydrophobicContact CB-CD1 4.29Å; R295-F344 HydrophobicContact CB-CD2 4.38Å; R295-F344 HydrophobicContact CB-CE1 3.91Å; R295-F344 HydrophobicContact CB-CE2 3.99Å; R295-F344 HydrophobicContact CB-CZ 3.75Å; R295-F344 HydrophobicContact CG-CD1 4.06Å; R295-F344 HydrophobicContact CG-CE1 3.81Å; R295-F344 HydrophobicContact CG-CZ 4.18Å; I296-F344 PolarHBondContact N-O 2.8Å; I297-F344 HydrophobicContact CD1-CE2 4.42Å; I297-F344 HydrophobicContact CD1-CZ 4.48Å; I297-F344 HydrophobicContact CG1-CE2 3.69Å; I297-F344 HydrophobicContact CG1-CZ 4.23Å; W322-F344 VanDerWaalsContact CZ2-C 3.48Å; V325-F344 HydrophobicContact CB-CB 3.87Å; V325-F344 HydrophobicContact CG1-CB 4.43Å; V325-F344 CarbonylContact O-C 3.57Å; V325-F344 VanDerWaalsContact O-CA 3.29Å; V325-F344 WeakPolarHBondContact O-CA 3.31Å; V338-F344 HydrophobicContact CG1-CZ 4.16Å; V338-F344 VanDerWaalsContact O-CE1 3.28Å; V338-F344 WeakPolarHBondContact O-CE1 3.37Å; V338-F344 VanDerWaalsContact O-CZ 3.25Å; V338-F344 WeakPolarHBondContact O-CZ 3.45Å; A340-F344 HydrophobicContact CB-CD1 4.16Å; A340-F344 HydrophobicContact CB-CE1 4.26Å; V342-F344 WeakPolarHBondContact O-CD1 3.39Å; F344-M346 HydrophobicContact CB-CE 3.95Å; F344-M346 HydrophobicContact CB-CG 4.2Å; F344-M346 HydrophobicContact CD1-CE 4Å; F344-M346 HydrophobicContact CD2-CB 3.95Å; F344-M346 HydrophobicContact CD2-CE 4.26Å; F344-M346 HydrophobicContact CD2-CG 3.57Å; F344-M346 HydrophobicContact CD2-SD 4Å; F344-M346 HydrophobicContact CE2-CB 4.19Å; F344-M346 HydrophobicContact CE2-CG 4.1Å; F344-M346 HydrophobicContact CE2-SD 4.16Å; F344-M346 HydrophobicContact CG-CE 3.84Å; F344-M346 HydrophobicContact CG-CG 4.02Å; F344-M346 HydrophobicContact CG-SD 4.2Å; F344-M346 HydrophobicContact CZ-SD 4.48Å |
| 345 | I | 95.5 | Very high | 77.3 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 112.3 | 158.2 | -62 | 167.2 | 0 | 0 | 0 | 106.6 | T290 I296 L298 A310 T314 W322 V325 Y326 A327 | T290-I345 HydrophobicContact CG2-CD1 4.35Å; I296-I345 HydrophobicContact CB-CG1 4.17Å; I296-I345 HydrophobicContact CD1-CG1 4.17Å; I296-I345 WeakPolarHBondContact O-CA 3.41Å; L298-I345 HydrophobicContact CD1-CG2 4.12Å; L298-I345 HydrophobicContact CG-CG2 4.46Å; A310-I345 HydrophobicContact CB-CG2 4.05Å; T314-I345 HydrophobicContact CG2-CD1 3.79Å; W322-I345 HydrophobicContact CD2-CD1 3.7Å; W322-I345 HydrophobicContact CD2-CG1 4.17Å; W322-I345 HydrophobicContact CE3-CD1 3.98Å; W322-I345 HydrophobicContact CE3-CG1 4.49Å; W322-I345 HydrophobicContact CG-CD1 4.08Å; W322-I345 HydrophobicContact CH2-CG1 4.2Å; W322-I345 HydrophobicContact CZ2-CD1 4.33Å; W322-I345 HydrophobicContact CZ2-CG1 3.87Å; W322-I345 HydrophobicContact CZ3-CD1 4.38Å; W322-I345 HydrophobicContact CZ3-CG1 4.5Å; V325-I345 PolarHBondContact O-N 3Å; Y326-I345 HydrophobicContact CD2-CB 3.94Å; Y326-I345 HydrophobicContact CD2-CD1 4.04Å; Y326-I345 HydrophobicContact CD2-CG2 4.38Å; Y326-I345 HydrophobicContact CE2-CB 4.24Å; Y326-I345 HydrophobicContact CE2-CD1 4Å; Y326-I345 HydrophobicContact CE2-CG2 4.23Å; A327-I345 CarbonylContact C-O 3.28Å; A327-I345 PolarHBondContact N-O 3.32Å |
| 346 | M | 94.6 | Very high | 74.7 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.025 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 144.9 | 178.2 | -67.6 | -173.1 | -172.7 | 0 | 0 | 110.5 | I296 I297 L298 V325 A327 L330 F337 V338 F344 | I296-M346 PolarHBondContact O-N 2.97Å; I297-M346 CarbonylContact C-O 3.51Å; I297-M346 WeakPolarHBondContact CA-O 3.47Å; L298-M346 PolarHBondContact N-O 3.5Å; V325-M346 HydrophobicContact CG1-CE 3.86Å; A327-M346 HydrophobicContact CB-CG 4.49Å; A327-M346 WeakPolarHBondContact O-CA 3.41Å; L330-M346 HydrophobicContact CD2-CB 4.43Å; L330-M346 HydrophobicContact CD2-SD 3.9Å; F337-M346 HydrophobicContact CB-CE 4.19Å; F337-M346 WeakPolarHBondContact O-CE 3.2Å; V338-M346 HydrophobicContact CG2-SD 4.06Å; F344-M346 HydrophobicContact CB-CE 3.95Å; F344-M346 HydrophobicContact CB-CG 4.2Å; F344-M346 HydrophobicContact CD1-CE 4Å; F344-M346 HydrophobicContact CD2-CB 3.95Å; F344-M346 HydrophobicContact CD2-CE 4.26Å; F344-M346 HydrophobicContact CD2-CG 3.57Å; F344-M346 HydrophobicContact CD2-SD 4Å; F344-M346 HydrophobicContact CE2-CB 4.19Å; F344-M346 HydrophobicContact CE2-CG 4.1Å; F344-M346 HydrophobicContact CE2-SD 4.16Å; F344-M346 HydrophobicContact CG-CE 3.84Å; F344-M346 HydrophobicContact CG-CG 4.02Å; F344-M346 HydrophobicContact CG-SD 4.2Å; F344-M346 HydrophobicContact CZ-SD 4.48Å |
| 347 | G | 93.5 | Very high | 72.1 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 127.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L298 A327 P328 L330 | L298-G347 CarbonylContact O-C 3.53Å; L298-G347 WeakPolarHBondContact O-CA 3.47Å; A327-G347 PolarHBondContact O-N 2.86Å; A327-G347 VanDerWaalsContact O-N 3.09Å; P328-G347 VanDerWaalsContact O-CA 3.29Å; P328-G347 WeakPolarHBondContact O-CA 3.36Å; L330-G347 WeakPolarHBondContact CB-O 3.43Å; L330-G347 PolarHBondContact N-O 3.46Å |
| 348 | I | 90.1 | Very high | 69.2 | Low | 14 Ų | 14 | 59.8 Ų | 59.8 | 7% | 0.072 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.2 | -173.3 | -53.4 | 174.4 | 0 | 0 | 0 | 109.2 | I297 L298 F299 L330 V338 V385 | I297-I348 HydrophobicContact CG2-CD1 3.99Å; I297-I348 HydrophobicContact CG2-CG1 4.49Å; L298-I348 PolarHBondContact O-N 2.79Å; F299-I348 HydrophobicContact CD1-CB 4.03Å; F299-I348 HydrophobicContact CE1-CB 4.02Å; F299-I348 HydrophobicContact CE1-CD1 4.05Å; F299-I348 HydrophobicContact CE1-CG2 4.45Å; L330-I348 HydrophobicContact CD2-CG1 4.42Å; V338-I348 HydrophobicContact CG2-CD1 3.87Å; I348-V385 HydrophobicContact CD1-CG2 4.4Å |
| 349 | N | 87.3 | Confident | 66.6 | Low | 18 Ų | 18 | 68.1 Ų | 68.1 | 10% | 0.096 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 124.7 | 175.8 | -173.5 | -52.3 | 0 | 0 | 0 | 111.7 | Q73 S300 K301 Y303 | Q73-N349 VanDerWaalsContact NE2-CG 3.32Å; Q73-N349 PolarHBondContact NE2-O 3.06Å; Q73-N349 PolarHBondContact NE2-OD1 2.89Å; S300-N349 VanDerWaalsContact O-CA 3.25Å; S300-N349 WeakPolarHBondContact O-CA 3.33Å; K301-N349 PolarHBondContact O-ND2 3.46Å; Y303-N349 HydrophobicContact CD1-CB 3.97Å; Y303-N349 HydrophobicContact CE1-CB 3.34Å; Y303-N349 WeakPolarHBondContact CE1-ND2 3.29Å; Y303-N349 WeakPolarHBondContact CE2-ND2 3.27Å; Y303-N349 VanDerWaalsContact CZ-ND2 3.32Å |
| 350 | I | 80.3 | Confident | 63.8 | Low | 52 Ų | 52 | 73.4 Ų | 73.4 | 27% | 0.267 | 41% | 0.411 | S | S | . | . | trans | -87.3 | 106.9 | 174.1 | -60.2 | -175.9 | 0 | 0 | 0 | 109.7 | F299 S300 K301 Y397 | F299-I350 HydrophobicContact CB-CD1 3.72Å; F299-I350 HydrophobicContact CB-CG1 4.18Å; F299-I350 HydrophobicContact CD1-CD1 3.89Å; F299-I350 HydrophobicContact CD1-CG1 3.91Å; F299-I350 HydrophobicContact CG-CD1 3.95Å; F299-I350 HydrophobicContact CG-CG1 4.38Å; S300-I350 PolarHBondContact O-N 3.43Å; S300-I350 VanDerWaalsContact O-N 3.17Å; K301-I350 WeakPolarHBondContact CG-O 3.24Å; I350-Y397 HydrophobicContact CD1-CD1 4.31Å; I350-Y397 HydrophobicContact CD1-CE1 4.22Å | ||
| 351 | S | 63.1 | Low | 60.8 | Low | 80 Ų | 80 | 79.4 Ų | 79.4 | 56% | 0.559 | 44% | 0.44 | S | S | * | . | trans | -71 | 140.5 | 166.1 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 352 | D | 49.9 | Very low | 57.9 | Low | 52 Ų | 52 | 82.6 Ų | 82.6 | 28% | 0.278 | 45% | 0.446 | S | S | . | . | trans | -68.4 | 125.9 | 172.6 | -71.5 | -63.2 | 0 | 0 | 0 | 111.2 | R87 K301 C354 | R87-D352 IonicContact CZ-OD2 2.78Å; R87-D352 VanDerWaalsContact CZ-OD2 3.28Å; R87-D352 IonicContact NH1-OD2 2.7Å; R87-D352 PolarHBondContact NH1-OD2 2.98Å; R87-D352 IonicContact NH2-OD2 3.8Å; R87-D352 PolarHBondContact NH2-OD2 3.11Å; K301-D352 IonicContact NZ-OD1 3.19Å; K301-D352 PolarHBondContact NZ-OD1 2.85Å; D352-C354 PolarHBondContact O-N 3.32Å; D352-C354 VanDerWaalsContact O-N 3.09Å | ||
| 353 | P | 36.6 | Very low | 54.7 | Low | 123 Ų | 123 | 87.9 Ų | 87.9 | 80% | 0.799 | 46% | 0.463 | S | S | * | . | trans | -65.1 | 111.5 | 166.4 | 27.2 | -32.2 | 0 | 0 | 0 | 108.8 | N355 | P353-N355 PolarHBondContact O-N 3.24Š| ||
| 354 | C | 31.8 | Very low | 51.5 | Low | 85 Ų | 85 | 97.1 Ų | 97.1 | 57% | 0.574 | 50% | 0.496 | S | S | * | . | trans | -70.2 | 118 | -167.1 | -72.2 | 0 | 0 | 0 | 0 | 113.4 | D352 | D352-C354 PolarHBondContact O-N 3.32Å; D352-C354 VanDerWaalsContact O-N 3.09Å | ||
| 355 | N | 28.8 | Very low | 48.1 | Very low | 116 Ų | 116 | 102.5 Ų | 102.5 | 62% | 0.62 | 53% | 0.531 | S | S | * | . | trans | 54.2 | 54.7 | 156.3 | -83.9 | -8.3 | 0 | 0 | 0 | 118 | P353 N357 | P353-N355 PolarHBondContact O-N 3.24Å; N355-N357 PolarHBondContact O-N 3.05Å | ||
| 356 | N | 27 | Very low | 44.7 | Very low | 158 Ų | 158 | 112.1 Ų | 112.1 | 85% | 0.845 | 57% | 0.573 | S | S | * | * | trans | -79.5 | 63.6 | 150.4 | -82 | -2.5 | 0 | 0 | 0 | 110.4 | ||||
| 357 | N | 25.5 | Very low | 41.3 | Very low | 141 Ų | 141 | 119.5 Ų | 119.5 | 75% | 0.754 | 61% | 0.611 | S | S | * | * | trans | -109.5 | 2.3 | 177.8 | -105.2 | -13.5 | 0 | 0 | 0 | 113.6 | N355 | N355-N357 PolarHBondContact O-N 3.05Š| ||
| 358 | D | 25.9 | Very low | 38.1 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 61% | 0.61 | 65% | 0.649 | S | S | * | * | trans | -105.6 | 81.7 | 167.4 | -82.1 | -38.1 | 0 | 0 | 0 | 109.4 | N151 | N151-D358 PolarHBondContact ND2-OD2 3.38Š| ||
| 359 | H | 33 | Very low | 34.8 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 81% | 0.81 | 68% | 0.683 | S | S | * | * | trans | -177.5 | 101.7 | 142 | -93.1 | -55.6 | 0 | 0 | 0 | 109.9 | ||||
| 360 | Q | 25.9 | Very low | 32 | Very low | 182 Ų | 182 | 144.5 Ų | 144.5 | 85% | 0.85 | 72% | 0.717 | S | S | * | * | trans | -74.5 | 143.2 | 153.5 | -69.5 | -177.9 | -9.6 | 0 | 0 | 108.5 | ||||
| 361 | N | 24.3 | Very low | 29.3 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 80.2 | 126.1 | 177.1 | -58.6 | -19.5 | 0 | 0 | 0 | 118.7 | ||
| 362 | E | 24.6 | Very low | 27.6 | Very low | 172 Ų | 172 | 149.7 Ų | 149.7 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 78.3 | 130.1 | 156.5 | -64.4 | -170.5 | -154.9 | 0 | 0 | 122.2 | ||
| 363 | K | 24.6 | Very low | 26.4 | Very low | 181 Ų | 181 | 154.3 Ų | 154.3 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | trans | 58.6 | 82.8 | 162.6 | -71.5 | 174.7 | 178.2 | 162.4 | 0 | 118.6 | P365 | K363-P365 WeakPolarHBondContact O-CD 3.38Š| ||
| 364 | Y | 24.2 | Very low | 25.9 | Very low | 220 Ų | 220 | 156.2 Ų | 156.2 | 86% | 0.863 | 78% | 0.775 | S | S | * | * | trans | -83 | 113.5 | 137.5 | -78.9 | -86.1 | 0 | 0 | 0 | 109.7 | F366 | Y364-F366 PolarHBondContact O-N 2.92Š| ||
| 365 | P | 24.5 | Very low | 25.7 | Very low | 113 Ų | 113 | 161 Ų | 161 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -93.1 | 56.7 | -177.6 | 38 | -36 | 0 | 0 | 0 | 112.8 | K363 | K363-P365 WeakPolarHBondContact O-CD 3.38Š| ||
| 366 | F | 23.9 | Very low | 25.5 | Very low | 206 Ų | 206 | 162.3 Ų | 162.3 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | trans | -154.6 | 40.2 | 167.1 | -107.9 | -63 | 0 | 0 | 0 | 115.5 | Y364 | Y364-F366 PolarHBondContact O-N 2.92Š| ||
| 367 | I | 23.5 | Very low | 25.5 | Very low | 160 Ų | 160 | 158.9 Ų | 158.9 | 82% | 0.821 | 78% | 0.78 | S | S | * | * | trans | -123.4 | 103.8 | 156.8 | -58.4 | 179.4 | 0 | 0 | 0 | 108 | ||||
| 368 | K | 25.1 | Very low | 25.3 | Very low | 180 Ų | 180 | 156.8 Ų | 156.8 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -90.4 | 120.5 | 157.8 | -86.6 | -173.1 | 171.3 | -175.2 | 0 | 107.6 | Y370 | K368-Y370 HydrophobicContact CB-CD2 4.47Å; K368-Y370 HydrophobicContact CD-CE2 4.28Å | ||
| 369 | Q | 21.7 | Very low | 25.4 | Very low | 172 Ų | 172 | 156.2 Ų | 156.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -63.1 | 133.2 | 154.1 | -66.7 | 172.5 | -92.8 | 0 | 0 | 108.1 | ||||
| 370 | Y | 27.2 | Very low | 25.1 | Very low | 205 Ų | 205 | 157.1 Ų | 157.1 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -138.3 | 128.3 | 150.9 | -99.7 | -82.5 | 0 | 0 | 0 | 107.5 | K368 | K368-Y370 HydrophobicContact CB-CD2 4.47Å; K368-Y370 HydrophobicContact CD-CE2 4.28Å | ||
| 371 | D | 25.2 | Very low | 25.3 | Very low | 138 Ų | 138 | 155.5 Ų | 155.5 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -72.6 | 164.2 | 170.7 | -67.2 | -69.9 | 0 | 0 | 0 | 110.8 | ||||
| 372 | S | 26.3 | Very low | 25.8 | Very low | 102 Ų | 102 | 151.1 Ų | 151.1 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 62.8 | 119.3 | 170.4 | 51.9 | 0 | 0 | 0 | 0 | 117.8 | ||
| 373 | D | 25.4 | Very low | 26.3 | Very low | 149 Ų | 149 | 149.2 Ų | 149.2 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | 58.3 | 75.2 | 139.9 | -49 | -18.3 | 0 | 0 | 0 | 118.3 | ||||
| 374 | N | 26.5 | Very low | 27.4 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | -171.9 | 160.9 | 123.6 | -101.6 | -65.8 | 0 | 0 | 0 | 112.6 | |||||
| 375 | H | 26.4 | Very low | 28.9 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 86% | 0.861 | 71% | 0.705 | S | S | * | * | trans | -72.1 | 123.4 | 176.7 | -84.4 | -109.7 | 0 | 0 | 0 | 112.3 | ||||
| 376 | T | 25.6 | Very low | 30.3 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 88% | 0.877 | 71% | 0.711 | S | S | * | * | trans | -157.7 | 140.3 | 147.2 | -17.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 377 | Q | 25.3 | Very low | 32.1 | Very low | 85 Ų | 85 | 130.8 Ų | 130.8 | 40% | 0.397 | 68% | 0.675 | S | S | . | * | trans | -83.6 | 142.3 | -177 | -54.7 | -170.8 | 16.1 | 0 | 0 | 111.7 | Y379 D407 | Q377-Y379 HydrophobicContact CB-CD2 4.36Å; Q377-Y379 HydrophobicContact CB-CE2 3.82Å; Q377-Y379 WeakPolarHBondContact O-CD2 3.35Å; Q377-Y379 PolarHBondContact O-N 3.17Å; Q377-Y379 PolarHBondContact OE1-OH 2.73Å; Q377-D407 VanDerWaalsContact NE2-CG 3.31Å; Q377-D407 PolarHBondContact NE2-OD1 2.7Å; Q377-D407 PolarHBondContact NE2-OD2 3.45Å | ||
| 378 | A | 22.2 | Very low | 33.8 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 80% | 0.802 | 67% | 0.669 | S | S | * | * | trans | -90.4 | 91 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 379 | Y | 27.8 | Very low | 35.8 | Very low | 102 Ų | 102 | 120.9 Ų | 120.9 | 40% | 0.4 | 65% | 0.648 | S | S | . | * | trans | -74.9 | 123.5 | 178.6 | -66.5 | -84.2 | 0 | 0 | 0 | 112.3 | Q377 Y381 | Q377-Y379 HydrophobicContact CB-CD2 4.36Å; Q377-Y379 HydrophobicContact CB-CE2 3.82Å; Q377-Y379 WeakPolarHBondContact O-CD2 3.35Å; Q377-Y379 PolarHBondContact O-N 3.17Å; Q377-Y379 PolarHBondContact OE1-OH 2.73Å; Y379-Y381 HydrophobicContact CG-CE2 4.5Å; Y379-Y381 PolarHBondContact O-N 2.68Å | ||
| 380 | F | 26.4 | Very low | 38.1 | Very low | 194 Ų | 194 | 116.4 Ų | 116.4 | 85% | 0.851 | 63% | 0.627 | S | S | * | * | trans | -78.7 | 93.1 | 166 | -87.7 | -95 | 0 | 0 | 0 | 109.6 | ||||
| 381 | Y | 30.2 | Very low | 40.4 | Very low | 148 Ų | 148 | 110.9 Ų | 110.9 | 58% | 0.58 | 62% | 0.615 | S | S | * | * | trans | -70.8 | 128.8 | 175.9 | -83.4 | -93.2 | 0 | 0 | 0 | 112.3 | Y379 | Y379-Y381 HydrophobicContact CG-CE2 4.5Å; Y379-Y381 PolarHBondContact O-N 2.68Å | ||
| 382 | S | 34.7 | Very low | 43.3 | Very low | 56 Ų | 56 | 108.5 Ų | 108.5 | 39% | 0.392 | 60% | 0.602 | S | S | . | * | trans | -73.6 | 126.6 | 150.1 | -175.9 | 0 | 0 | 0 | 0 | 107.5 | S384 | S382-S384 PolarHBondContact O-N 2.82Å; S382-S384 PolarHBondContact OG-OG 2.92Å | ||
| 383 | P | 34.8 | Very low | 46.4 | Very low | 132 Ų | 132 | 103.9 Ų | 103.9 | 86% | 0.857 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 45.7 | -169.3 | 34.6 | -38.6 | 0 | 0 | 0 | 112.9 | ||
| 384 | S | 48.9 | Very low | 49.6 | Very low | 86 Ų | 86 | 96.8 Ų | 96.8 | 60% | 0.601 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150.6 | -6.4 | -165.4 | 59.8 | 0 | 0 | 0 | 0 | 116.2 | S382 | S382-S384 PolarHBondContact O-N 2.82Å; S382-S384 PolarHBondContact OG-OG 2.92Å |
| 385 | V | 54.5 | Low | 52.8 | Low | 35 Ų | 35 | 90.5 Ų | 90.5 | 21% | 0.212 | 50% | 0.496 | C | S | . | . | trans | -139.1 | 97.4 | 173.2 | -174.9 | 0 | 0 | 0 | 0 | 107.7 | V338 I348 | V338-V385 HydrophobicContact CB-CG1 4.37Å; V338-V385 HydrophobicContact CG1-CG1 3.97Å; I348-V385 HydrophobicContact CD1-CG2 4.4Å | ||
| 386 | E | 54 | Low | 56 | Low | 183 Ų | 183 | 81.7 Ų | 81.7 | 86% | 0.855 | 46% | 0.455 | S | S | * | . | trans | -103.6 | 100.9 | 179.1 | -173.6 | 170.5 | -139.6 | 0 | 0 | 107.9 | ||||
| 387 | L | 63.1 | Low | 59.2 | Low | 29 Ų | 29 | 77.1 Ų | 77.1 | 15% | 0.152 | 42% | 0.422 | C | S | . | . | trans | -76.6 | 132.1 | -166.6 | -107.1 | 160 | 0 | 0 | 0 | 112.9 | I297 V338 D339 S389 E390 V393 Y395 | I297-L387 HydrophobicContact CD1-CD1 3.83Å; V338-L387 HydrophobicContact CG1-CD1 4.34Å; V338-L387 HydrophobicContact CG1-CD2 4.11Å; V338-L387 HydrophobicContact CG1-CG 4.23Å; V338-L387 WeakPolarHBondContact O-CD2 3.23Å; D339-L387 WeakPolarHBondContact OD1-CA 3.36Å; L387-S389 PolarHBondContact O-N 2.74Å; L387-E390 HydrophobicContact CB-CG 4.43Å; L387-V393 HydrophobicContact CD1-CG1 4.21Å; L387-V393 HydrophobicContact CD1-CG2 4.35Å; L387-Y395 HydrophobicContact CD1-CE1 3.98Å; L387-Y395 WeakPolarHBondContact CD1-OH 3.48Å | ||
| 388 | A | 59.1 | Low | 62.5 | Low | 85 Ų | 85 | 73.1 Ų | 73.1 | 70% | 0.702 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -63.9 | -23.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | D339 | D339-A388 HydrophobicContact CB-CB 4.27Å; D339-A388 WeakPolarHBondContact OD1-CB 3.25Å; D339-A388 PolarHBondContact OD1-N 2.86Å |
| 389 | S | 65.7 | Low | 65.7 | Low | 47 Ų | 47 | 70.6 Ų | 70.6 | 33% | 0.329 | 38% | 0.376 | S | S | . | . | trans | -157.3 | 130.2 | 163.2 | 69.5 | 0 | 0 | 0 | 0 | 112 | R295 L387 T391 | R295-S389 PolarHBondContact NH1-O 3.16Å; R295-S389 PolarHBondContact NH1-OG 3.17Å; L387-S389 PolarHBondContact O-N 2.74Å; S389-T391 VanDerWaalsContact C-N 3.29Å; S389-T391 PolarHBondContact O-N 2.98Å | ||
| 390 | E | 70.4 | Confident | 68.7 | Low | 79 Ų | 79 | 71.7 Ų | 71.7 | 37% | 0.369 | 39% | 0.385 | S | S | . | . | trans | -85.2 | 3.5 | 178.2 | -57.9 | -161.9 | 106.3 | 0 | 0 | 113.9 | L387 N392 V393 Y395 | L387-E390 HydrophobicContact CB-CG 4.43Å; E390-N392 PolarHBondContact O-N 3.19Å; E390-V393 PolarHBondContact O-N 3.26Å; E390-Y395 PolarHBondContact OE1-OH 2.82Å | ||
| 391 | T | 76.6 | Confident | 71.7 | Confident | 89 Ų | 89 | 63.1 Ų | 63.1 | 55% | 0.546 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 129.6 | -179.8 | 47.9 | 0 | 0 | 0 | 0 | 111.5 | R295 S389 V393 | R295-T391 PolarHBondContact NH1-O 3.21Å; S389-T391 VanDerWaalsContact C-N 3.29Å; S389-T391 PolarHBondContact O-N 2.98Å; T391-V393 PolarHBondContact O-N 2.99Å |
| 392 | N | 85.6 | Confident | 74.5 | Confident | 88 Ų | 88 | 61.4 Ų | 61.4 | 47% | 0.471 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 32 | -178.3 | -56.1 | -1.2 | 0 | 0 | 0 | 114 | Y294 R295 E390 | Y294-N392 VanDerWaalsContact CB-O 3.29Å; Y294-N392 WeakPolarHBondContact CB-O 3.06Å; Y294-N392 HydrophobicContact CD1-CB 4.02Å; Y294-N392 HydrophobicContact CD2-CB 4.28Å; Y294-N392 HydrophobicContact CE1-CB 4.21Å; Y294-N392 HydrophobicContact CE2-CB 4.45Å; Y294-N392 HydrophobicContact CG-CB 4.07Å; R295-N392 PolarHBondContact N-O 3.01Å; E390-N392 PolarHBondContact O-N 3.19Å |
| 393 | V | 90.3 | Very high | 77.2 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.03 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 135.5 | 174.3 | -178.2 | 0 | 0 | 0 | 0 | 111 | R295 I297 L387 E390 T391 Y395 P406 | R295-V393 HydrophobicContact CB-CG2 4.11Å; R295-V393 CarbonylContact O-C 3.55Å; R295-V393 WeakPolarHBondContact O-CA 3.44Å; I297-V393 HydrophobicContact CD1-CG1 3.84Å; L387-V393 HydrophobicContact CD1-CG1 4.21Å; L387-V393 HydrophobicContact CD1-CG2 4.35Å; E390-V393 PolarHBondContact O-N 3.26Å; T391-V393 PolarHBondContact O-N 2.99Å; V393-Y395 HydrophobicContact CG1-CD1 3.95Å; V393-Y395 HydrophobicContact CG1-CD2 4.24Å; V393-Y395 HydrophobicContact CG1-CE1 3.57Å; V393-Y395 HydrophobicContact CG1-CE2 3.89Å; V393-Y395 HydrophobicContact CG1-CG 4.29Å; V393-P406 WeakPolarHBondContact O-CD 3.35Å |
| 394 | C | 93.2 | Very high | 79.8 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 118.5 | 176.7 | 174.2 | 0 | 0 | 0 | 0 | 109.3 | C289 R295 I296 I297 I404 | C289-C394 HydrophobicContact CB-CB 4.08Å; R295-C394 PolarHBondContact O-N 3.4Å; I296-C394 WeakPolarHBondContact CA-O 3.23Å; I296-C394 HydrophobicContact CG1-CB 4.1Å; I297-C394 PolarHBondContact N-O 3.37Å; C394-I404 WeakPolarHBondContact CA-O 3.41Å |
| 395 | Y | 93.2 | Very high | 81.8 | Confident | 32 Ų | 32 | 52.2 Ų | 52.2 | 13% | 0.125 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 123.5 | -176.6 | -55.4 | -78.8 | 0 | 0 | 0 | 110.8 | I297 F299 L387 E390 V393 V403 I404 | I297-Y395 HydrophobicContact CB-CD1 4.19Å; I297-Y395 HydrophobicContact CD1-CD1 3.93Å; I297-Y395 HydrophobicContact CD1-CE1 3.71Å; F299-Y395 HydrophobicContact CE2-CD1 4Å; L387-Y395 HydrophobicContact CD1-CE1 3.98Å; L387-Y395 WeakPolarHBondContact CD1-OH 3.48Å; E390-Y395 PolarHBondContact OE1-OH 2.82Å; V393-Y395 HydrophobicContact CG1-CD1 3.95Å; V393-Y395 HydrophobicContact CG1-CD2 4.24Å; V393-Y395 HydrophobicContact CG1-CE1 3.57Å; V393-Y395 HydrophobicContact CG1-CE2 3.89Å; V393-Y395 HydrophobicContact CG1-CG 4.29Å; Y395-V403 WeakPolarHBondContact O-CA 3.49Å; Y395-I404 HydrophobicContact CD2-CB 4.49Å; Y395-I404 PolarHBondContact N-O 2.97Å; Y395-I404 PolarHBondContact O-N 3.26Å |
| 396 | V | 94 | Very high | 83.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 101.5 | -175.6 | -176.5 | 0 | 0 | 0 | 0 | 110.6 | I278 L286 I296 I297 L298 F299 I398 V403 | I278-V396 HydrophobicContact CD1-CG1 3.81Å; L286-V396 HydrophobicContact CD1-CG2 3.59Å; L286-V396 HydrophobicContact CD2-CG1 4.22Å; L286-V396 HydrophobicContact CD2-CG2 3.91Å; L286-V396 HydrophobicContact CG-CG2 4.33Å; I296-V396 HydrophobicContact CG2-CG2 4.29Å; I297-V396 PolarHBondContact O-N 2.83Å; L298-V396 HydrophobicContact CD2-CB 3.63Å; L298-V396 HydrophobicContact CD2-CG1 4.02Å; L298-V396 HydrophobicContact CD2-CG2 3.68Å; F299-V396 PolarHBondContact N-O 3.39Å; V396-I398 HydrophobicContact CG1-CG1 3.81Å; V396-I398 PolarHBondContact O-N 3.25Å; V396-V403 HydrophobicContact CG1-CG2 4.16Å; V396-V403 HydrophobicContact CG2-CG1 4.27Å; V396-V403 HydrophobicContact CG2-CG2 4.31Å |
| 397 | Y | 94 | Very high | 84 | Confident | 47 Ų | 47 | 49.8 Ų | 49.8 | 18% | 0.184 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 83.3 | 174.7 | -66.1 | -91.5 | 0 | 0 | 0 | 109.7 | F299 I350 D399 E400 G401 R402 I404 | F299-Y397 HydrophobicContact CB-CD1 4.11Å; F299-Y397 HydrophobicContact CB-CE1 4.46Å; F299-Y397 AromaticContact CD2-CD1 3.98Å; F299-Y397 HydrophobicContact CD2-CD1 3.98Å; F299-Y397 HydrophobicContact CD2-CD2 4.4Å; F299-Y397 AromaticContact CD2-CE1 3.68Å; F299-Y397 HydrophobicContact CD2-CE1 3.68Å; F299-Y397 HydrophobicContact CD2-CE2 4.13Å; F299-Y397 HydrophobicContact CD2-CG 4.33Å; F299-Y397 AromaticContact CD2-CZ 3.76Å; F299-Y397 HydrophobicContact CE2-CE1 4.1Å; F299-Y397 HydrophobicContact CE2-CE2 4.31Å; F299-Y397 AromaticContact CE2-CZ 3.82Å; F299-Y397 HydrophobicContact CG-CD1 4.33Å; F299-Y397 HydrophobicContact CG-CE1 4.2Å; I350-Y397 HydrophobicContact CD1-CD1 4.31Å; I350-Y397 HydrophobicContact CD1-CE1 4.22Å; Y397-D399 VanDerWaalsContact C-N 3.34Å; Y397-D399 PolarHBondContact O-N 3.14Å; Y397-E400 CarbonylContact O-C 3.49Å; Y397-E400 PolarHBondContact O-N 2.88Å; Y397-G401 PolarHBondContact O-N 2.74Å; Y397-R402 PolarHBondContact N-O 3.15Å; Y397-R402 PolarHBondContact O-N 2.88Å; Y397-I404 HydrophobicContact CD2-CD1 4.34Å; Y397-I404 HydrophobicContact CE2-CD1 3.94Å |
| 398 | I | 93.1 | Very high | 84.7 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -59.2 | -42.6 | -168.8 | -54.8 | 166.6 | 0 | 0 | 0 | 111.5 | L277 L298 F299 R305 L306 I309 V396 E400 G401 | L277-I398 HydrophobicContact CB-CG2 4.06Å; L277-I398 HydrophobicContact CD1-CG2 4.02Å; L277-I398 HydrophobicContact CG-CG2 4.44Å; L298-I398 HydrophobicContact CB-CD1 4.25Å; F299-I398 WeakPolarHBondContact O-CB 3.31Å; F299-I398 WeakPolarHBondContact O-CG1 3.26Å; F299-I398 PolarHBondContact O-N 3.13Å; R305-I398 HydrophobicContact CB-CD1 4.36Å; R305-I398 HydrophobicContact CB-CG2 4.25Å; L306-I398 HydrophobicContact CD2-CD1 4.06Å; I309-I398 HydrophobicContact CB-CD1 4.13Å; I309-I398 HydrophobicContact CD1-CG2 4.24Å; I309-I398 HydrophobicContact CG1-CD1 3.73Å; I309-I398 HydrophobicContact CG1-CG1 4.05Å; I309-I398 HydrophobicContact CG1-CG2 3.87Å; V396-I398 HydrophobicContact CG1-CG1 3.81Å; V396-I398 PolarHBondContact O-N 3.25Å; I398-E400 PolarHBondContact O-N 3.03Å; I398-G401 PolarHBondContact O-N 3.48Å; I398-G401 VanDerWaalsContact O-N 3.16Å |
| 399 | D | 89.8 | Confident | 86.1 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 24% | 0.235 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -73.3 | -8.7 | -178.7 | -59.6 | -40.5 | 0 | 0 | 0 | 113.9 | S300 K301 R305 Y397 | S300-D399 VanDerWaalsContact CA-OD2 3.22Å; S300-D399 WeakPolarHBondContact CA-OD2 3.43Å; S300-D399 VanDerWaalsContact OG-CG 3.24Å; S300-D399 PolarHBondContact OG-OD1 3.48Å; S300-D399 PolarHBondContact OG-OD2 2.87Å; K301-D399 WeakPolarHBondContact CG-OD2 3.34Å; K301-D399 PolarHBondContact N-OD2 3.11Å; R305-D399 WeakPolarHBondContact CD-OD1 3.29Å; R305-D399 IonicContact CZ-OD1 3.95Å; R305-D399 IonicContact NE-OD1 3.28Å; R305-D399 IonicContact NH1-OD1 3.57Å; R305-D399 PolarHBondContact NH1-OD1 3.02Å; Y397-D399 VanDerWaalsContact C-N 3.34Å; Y397-D399 PolarHBondContact O-N 3.14Å |
| 400 | E | 90.3 | Very high | 87.3 | Confident | 125 Ų | 125 | 53.8 Ų | 53.8 | 58% | 0.584 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -108.8 | -4.6 | 172.6 | -59.6 | -167 | -174.1 | 0 | 0 | 112.7 | Y397 I398 R402 | Y397-E400 CarbonylContact O-C 3.49Å; Y397-E400 PolarHBondContact O-N 2.88Å; I398-E400 PolarHBondContact O-N 3.03Å; E400-R402 HydrophobicContact CB-CB 4.48Å; E400-R402 PolarHBondContact O-N 3.42Å; E400-R402 IonicContact OE2-CZ 2.89Å; E400-R402 IonicContact OE2-NH1 2.9Å; E400-R402 PolarHBondContact OE2-NH1 3.08Å; E400-R402 IonicContact OE2-NH2 3.48Å; E400-R402 PolarHBondContact OE2-NH2 3.4Å |
| 401 | G | 89.6 | Confident | 88.3 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 16% | 0.155 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 12.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L277 Y397 I398 | L277-G401 WeakPolarHBondContact O-CA 3.16Å; Y397-G401 PolarHBondContact O-N 2.74Å; I398-G401 PolarHBondContact O-N 3.48Å; I398-G401 VanDerWaalsContact O-N 3.16Å |
| 402 | R | 88.9 | Confident | 89 | Confident | 112 Ų | 112 | 54.4 Ų | 54.4 | 42% | 0.423 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.7 | -174.5 | -171.3 | -171.1 | -56.9 | 112.2 | 17 | 110.9 | Y397 E400 I404 | Y397-R402 PolarHBondContact N-O 3.15Å; Y397-R402 PolarHBondContact O-N 2.88Å; E400-R402 HydrophobicContact CB-CB 4.48Å; E400-R402 PolarHBondContact O-N 3.42Å; E400-R402 IonicContact OE2-CZ 2.89Å; E400-R402 IonicContact OE2-NH1 2.9Å; E400-R402 PolarHBondContact OE2-NH1 3.08Å; E400-R402 IonicContact OE2-NH2 3.48Å; E400-R402 PolarHBondContact OE2-NH2 3.4Å; R402-I404 HydrophobicContact CG-CG1 4.08Å |
| 403 | V | 92.1 | Very high | 89.3 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 125 | 165.8 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | I278 N282 L286 Y395 V396 V405 | I278-V403 HydrophobicContact CG2-CG2 4.11Å; N282-V403 HydrophobicContact CB-CB 3.97Å; N282-V403 HydrophobicContact CB-CG2 3.83Å; L286-V403 HydrophobicContact CB-CG1 4.19Å; L286-V403 HydrophobicContact CB-CG2 4.29Å; Y395-V403 WeakPolarHBondContact O-CA 3.49Å; V396-V403 HydrophobicContact CG1-CG2 4.16Å; V396-V403 HydrophobicContact CG2-CG1 4.27Å; V396-V403 HydrophobicContact CG2-CG2 4.31Å; V403-V405 HydrophobicContact CG1-CG1 3.6Å |
| 404 | I | 90.6 | Very high | 89.4 | Confident | 42 Ų | 42 | 52 Ų | 52 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.5 | 173.8 | -52.1 | 179.8 | 0 | 0 | 0 | 107.1 | C394 Y395 Y397 R402 | C394-I404 WeakPolarHBondContact CA-O 3.41Å; Y395-I404 HydrophobicContact CD2-CB 4.49Å; Y395-I404 PolarHBondContact N-O 2.97Å; Y395-I404 PolarHBondContact O-N 3.26Å; Y397-I404 HydrophobicContact CD2-CD1 4.34Å; Y397-I404 HydrophobicContact CE2-CD1 3.94Å; R402-I404 HydrophobicContact CG-CG1 4.08Å |
| 405 | V | 89.7 | Confident | 89.1 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | trans | -136.9 | 158.4 | -173.3 | -52.8 | 0 | 0 | 0 | 0 | 110.3 | R285 V403 I409 | R285-V405 HydrophobicContact CB-CG1 4.31Å; V403-V405 HydrophobicContact CG1-CG1 3.6Å; V405-I409 HydrophobicContact CB-CD1 3.47Å; V405-I409 VanDerWaalsContact CB-CD1 3.47Å; V405-I409 HydrophobicContact CG1-CD1 4.26Å; V405-I409 HydrophobicContact CG2-CD1 3.63Å | ||
| 406 | P | 84 | Confident | 88.9 | Confident | 39 Ų | 39 | 56.4 Ų | 56.4 | 25% | 0.253 | 28% | 0.281 | S | S | . | . | trans | -60.3 | 148.3 | 172.9 | -24.6 | 36.1 | 0 | 0 | 0 | 112.7 | Y294 V393 E408 | Y294-P406 HydrophobicContact CD2-CG 4.32Å; Y294-P406 HydrophobicContact CE2-CG 3.9Å; V393-P406 WeakPolarHBondContact O-CD 3.35Å; P406-E408 PolarHBondContact O-N 2.93Å; P406-E408 VanDerWaalsContact O-N 3.09Å | ||
| 407 | D | 70.8 | Confident | 88.7 | Confident | 129 Ų | 129 | 61.4 Ų | 61.4 | 69% | 0.69 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -7.8 | -168.4 | -71.1 | -20.8 | 0 | 0 | 0 | 115.1 | Q377 | Q377-D407 VanDerWaalsContact NE2-CG 3.31Å; Q377-D407 PolarHBondContact NE2-OD1 2.7Å; Q377-D407 PolarHBondContact NE2-OD2 3.45Å |
| 408 | E | 77.7 | Confident | 88.6 | Confident | 181 Ų | 181 | 59.4 Ų | 59.4 | 85% | 0.846 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | 39.1 | -173.6 | -61.5 | -168.9 | 159.7 | 0 | 0 | 114.7 | P406 | P406-E408 PolarHBondContact O-N 2.93Å; P406-E408 VanDerWaalsContact O-N 3.09Å |
| 409 | I | 89 | Confident | 88.5 | Confident | 40 Ų | 40 | 61.2 Ų | 61.2 | 21% | 0.205 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -83.7 | 131.7 | 178.9 | -78.9 | 158.5 | 0 | 0 | 0 | 112.8 | T288 C289 Y294 V405 | T288-I409 HydrophobicContact CG2-CG2 3.69Å; C289-I409 WeakPolarHBondContact SG-CD1 3.4Å; Y294-I409 HydrophobicContact CE2-CD1 3.91Å; Y294-I409 HydrophobicContact CE2-CG1 3.93Å; V405-I409 HydrophobicContact CB-CD1 3.47Å; V405-I409 VanDerWaalsContact CB-CD1 3.47Å; V405-I409 HydrophobicContact CG1-CD1 4.26Å; V405-I409 HydrophobicContact CG2-CD1 3.63Å |
| 410 | P | 91.3 | Very high | 88.5 | Confident | 23 Ų | 23 | 63.8 Ų | 63.8 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 151.7 | 175.8 | 30.8 | -36.5 | 0 | 0 | 0 | 112.6 | L292 P627 F628 | L292-P410 HydrophobicContact CD1-CG 3.83Å; P410-P627 HydrophobicContact CB-CB 3.68Å; P410-F628 HydrophobicContact CB-CB 4.2Å; P410-F628 HydrophobicContact CG-CB 4.27Å |
| 411 | E | 89.8 | Confident | 88.5 | Confident | 170 Ų | 170 | 60 Ų | 60 | 79% | 0.794 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 144.2 | 176.2 | -62.9 | -164.5 | 153.8 | 0 | 0 | 112.3 | F628 | E411-F628 WeakPolarHBondContact O-CB 3.4Š|
| 412 | F | 93.3 | Very high | 88.6 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 5% | 0.053 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 127.2 | 178.5 | -175 | -121.7 | 0 | 0 | 0 | 111.3 | I284 F287 L291 N414 G415 I418 F575 N578 F579 F628 | I284-F412 HydrophobicContact CG2-CB 4.08Å; F287-F412 HydrophobicContact CD1-CE1 4.23Å; F287-F412 HydrophobicContact CD1-CE2 4.49Å; F287-F412 HydrophobicContact CD1-CZ 4.21Å; F287-F412 HydrophobicContact CE1-CE1 4.02Å; F287-F412 HydrophobicContact CE1-CE2 4.22Å; F287-F412 AromaticContact CE1-CZ 3.72Å; F287-F412 HydrophobicContact CE1-CZ 3.72Å; L291-F412 HydrophobicContact CD1-CD2 3.96Å; L291-F412 HydrophobicContact CD1-CE2 3.4Å; L291-F412 VanDerWaalsContact CD1-CE2 3.4Å; L291-F412 HydrophobicContact CD1-CZ 4.1Å; F412-N414 PolarHBondContact O-N 3.38Å; F412-G415 PolarHBondContact O-N 3.5Å; F412-I418 HydrophobicContact CD1-CD1 4.2Å; F412-I418 HydrophobicContact CE1-CD1 3.65Å; F412-F575 HydrophobicContact CE1-CE1 4.36Å; F412-N578 WeakPolarHBondContact CE1-ND2 3.18Å; F412-N578 WeakPolarHBondContact CZ-ND2 3.47Å; F412-F579 HydrophobicContact CE2-CE1 4.15Å; F412-F579 HydrophobicContact CE2-CZ 4.47Å; F412-F579 HydrophobicContact CZ-CE1 4.02Å; F412-F579 HydrophobicContact CZ-CZ 4.12Å; F412-F628 HydrophobicContact CD2-CD2 4.44Å; F412-F628 HydrophobicContact CD2-CE2 4.07Å; F412-F628 HydrophobicContact CD2-CZ 4.13Å; F412-F628 HydrophobicContact CE2-CE1 4.42Å; F412-F628 HydrophobicContact CE2-CE2 4.49Å; F412-F628 HydrophobicContact CE2-CZ 4.11Å |
| 413 | P | 91.8 | Very high | 88.7 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 123.6 | 177.1 | -34 | 39.3 | 0 | 0 | 0 | 113.9 | G415 N578 I582 H625 F628 | P413-G415 PolarHBondContact O-N 2.8Å; P413-N578 PolarHBondContact O-ND2 3.48Å; P413-I582 HydrophobicContact CB-CD1 3.69Å; P413-I582 HydrophobicContact CB-CG1 4.12Å; P413-I582 HydrophobicContact CG-CD1 4.42Å; P413-H625 HydrophobicContact CG-CB 4.17Å; P413-F628 VanDerWaalsContact CD-CD1 3.45Å; P413-F628 HydrophobicContact CG-CB 4.2Å; P413-F628 HydrophobicContact CG-CD1 3.58Å; P413-F628 HydrophobicContact CG-CE1 4.3Å; P413-F628 HydrophobicContact CG-CG 4.06Å |
| 414 | N | 90.5 | Very high | 88.5 | Confident | 40 Ų | 40 | 58.1 Ų | 58.1 | 21% | 0.214 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 20.9 | -175.9 | -39.7 | -64.6 | 0 | 0 | 0 | 114.9 | F412 Q416 D417 I418 N578 M581 | F412-N414 PolarHBondContact O-N 3.38Å; N414-Q416 VanDerWaalsContact C-N 3.27Å; N414-Q416 PolarHBondContact O-N 2.66Å; N414-D417 PolarHBondContact O-N 2.79Å; N414-D417 VanDerWaalsContact O-N 3.11Å; N414-I418 WeakPolarHBondContact O-CG1 3.47Å; N414-I418 PolarHBondContact O-N 2.96Å; N414-I418 VanDerWaalsContact O-N 3.15Å; N414-N578 PolarHBondContact ND2-OD1 2.88Å; N414-M581 VanDerWaalsContact ND2-CE 3.25Å; N414-M581 WeakPolarHBondContact ND2-CE 3.41Å |
| 415 | G | 88.7 | Confident | 88.3 | Confident | 11 Ų | 11 | 58 Ų | 58 | 11% | 0.113 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.6 | -33.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F412 P413 K419 | F412-G415 PolarHBondContact O-N 3.5Å; P413-G415 PolarHBondContact O-N 2.8Å; G415-K419 WeakPolarHBondContact O-CB 3.36Å; G415-K419 PolarHBondContact O-N 3.34Å |
| 416 | Q | 88.8 | Confident | 88.2 | Confident | 113 Ų | 113 | 57.5 Ų | 57.5 | 53% | 0.528 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70.4 | -37.3 | 177.2 | 178.2 | 64.5 | -4.3 | 0 | 0 | 112.6 | N414 K419 Q420 | N414-Q416 VanDerWaalsContact C-N 3.27Å; N414-Q416 PolarHBondContact O-N 2.66Å; Q416-K419 WeakPolarHBondContact O-CB 3.37Å; Q416-K419 PolarHBondContact O-N 2.86Å; Q416-Q420 WeakPolarHBondContact O-CG 3.32Å; Q416-Q420 PolarHBondContact O-N 2.8Å; Q416-Q420 VanDerWaalsContact O-N 3.1Å |
| 417 | D | 89.3 | Confident | 88.3 | Confident | 105 Ų | 105 | 61.9 Ų | 61.9 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -69.5 | -42.7 | 177.4 | -61 | -53.5 | 0 | 0 | 0 | 110.7 | N414 K419 Q420 S421 | N414-D417 PolarHBondContact O-N 2.79Å; N414-D417 VanDerWaalsContact O-N 3.11Å; D417-K419 VanDerWaalsContact C-N 3.29Å; D417-K419 PolarHBondContact O-N 3Å; D417-Q420 PolarHBondContact O-N 3.38Å; D417-Q420 VanDerWaalsContact O-N 3.12Å; D417-S421 PolarHBondContact O-N 3.28Å; D417-S421 PolarHBondContact O-OG 3.39Å |
| 418 | I | 91.3 | Very high | 88.7 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.5 | -43.6 | 172.4 | -65.6 | 166.9 | 0 | 0 | 0 | 110.6 | F412 N414 Q420 S421 L422 L574 F575 N578 | F412-I418 HydrophobicContact CD1-CD1 4.2Å; F412-I418 HydrophobicContact CE1-CD1 3.65Å; N414-I418 WeakPolarHBondContact O-CG1 3.47Å; N414-I418 PolarHBondContact O-N 2.96Å; N414-I418 VanDerWaalsContact O-N 3.15Å; I418-Q420 VanDerWaalsContact C-N 3.33Å; I418-Q420 PolarHBondContact O-N 2.81Å; I418-S421 PolarHBondContact O-N 3.1Å; I418-L422 HydrophobicContact CG2-CD1 3.93Å; I418-L422 HydrophobicContact CG2-CG 4.24Å; I418-L422 WeakPolarHBondContact O-CB 3.39Å; I418-L422 VanDerWaalsContact O-CG 3.3Å; I418-L422 WeakPolarHBondContact O-CG 3.33Å; I418-L422 PolarHBondContact O-N 3.3Å; I418-L574 HydrophobicContact CG2-CD2 4.04Å; I418-L574 HydrophobicContact CG2-CG 4.39Å; I418-F575 HydrophobicContact CG2-CE1 3.95Å; I418-F575 HydrophobicContact CG2-CE2 4.02Å; I418-F575 HydrophobicContact CG2-CZ 3.57Å; I418-N578 HydrophobicContact CD1-CB 3.87Å; I418-N578 WeakPolarHBondContact CD1-ND2 3.03Å |
| 419 | K | 90.8 | Very high | 88.7 | Confident | 38 Ų | 38 | 52.3 Ų | 52.3 | 17% | 0.165 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 176.2 | -173.2 | -178 | -176.6 | -177.4 | 0 | 112.1 | L280 D281 G415 Q416 D417 L423 | L280-K419 HydrophobicContact CB-CG 4.1Å; L280-K419 HydrophobicContact CD1-CG 4.08Å; D281-K419 IonicContact OD1-NZ 3.45Å; D281-K419 PolarHBondContact OD1-NZ 3.03Å; D281-K419 WeakPolarHBondContact OD2-CE 3.26Å; D281-K419 IonicContact OD2-NZ 2.75Å; D281-K419 PolarHBondContact OD2-NZ 2.59Å; G415-K419 WeakPolarHBondContact O-CB 3.36Å; G415-K419 PolarHBondContact O-N 3.34Å; Q416-K419 WeakPolarHBondContact O-CB 3.37Å; Q416-K419 PolarHBondContact O-N 2.86Å; D417-K419 VanDerWaalsContact C-N 3.29Å; D417-K419 PolarHBondContact O-N 3Å; K419-L423 VanDerWaalsContact O-CG 3.3Å; K419-L423 WeakPolarHBondContact O-CG 3.29Å; K419-L423 PolarHBondContact O-N 3.38Å; K419-L423 VanDerWaalsContact O-N 3.09Å |
| 420 | Q | 90.9 | Very high | 88.2 | Confident | 99 Ų | 99 | 54.4 Ų | 54.4 | 46% | 0.463 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.6 | -42.9 | 174.6 | -61.4 | -54.2 | -29.7 | 0 | 0 | 112.2 | Q416 D417 I418 L423 G424 | Q416-Q420 WeakPolarHBondContact O-CG 3.32Å; Q416-Q420 PolarHBondContact O-N 2.8Å; Q416-Q420 VanDerWaalsContact O-N 3.1Å; D417-Q420 PolarHBondContact O-N 3.38Å; D417-Q420 VanDerWaalsContact O-N 3.12Å; I418-Q420 VanDerWaalsContact C-N 3.33Å; I418-Q420 PolarHBondContact O-N 2.81Å; Q420-L423 PolarHBondContact O-N 3.2Å; Q420-G424 PolarHBondContact O-N 3.1Å |
| 421 | S | 90.8 | Very high | 87.3 | Confident | 45 Ų | 45 | 59.6 Ų | 59.6 | 32% | 0.315 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 176.5 | -62 | 0 | 0 | 0 | 0 | 112.5 | D417 I418 G424 I425 | D417-S421 PolarHBondContact O-N 3.28Å; D417-S421 PolarHBondContact O-OG 3.39Å; I418-S421 PolarHBondContact O-N 3.1Å; S421-G424 WeakPolarHBondContact O-CA 3.43Å; S421-G424 PolarHBondContact O-N 3.18Å; S421-G424 VanDerWaalsContact O-N 3.12Å; S421-I425 WeakPolarHBondContact O-CG1 3.45Å; S421-I425 PolarHBondContact O-N 2.86Å |
| 422 | L | 90.8 | Very high | 86 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 173.2 | -74 | 174 | 0 | 0 | 0 | 111.7 | F275 L280 I418 G424 I425 L426 I571 L574 F575 | F275-L422 HydrophobicContact CE1-CD1 4.4Å; F275-L422 HydrophobicContact CE2-CD2 4.13Å; F275-L422 HydrophobicContact CZ-CD1 4.03Å; F275-L422 HydrophobicContact CZ-CD2 4.1Å; L280-L422 HydrophobicContact CD2-CB 4.24Å; L280-L422 HydrophobicContact CD2-CD1 3.89Å; I418-L422 HydrophobicContact CG2-CD1 3.93Å; I418-L422 HydrophobicContact CG2-CG 4.24Å; I418-L422 WeakPolarHBondContact O-CB 3.39Å; I418-L422 VanDerWaalsContact O-CG 3.3Å; I418-L422 WeakPolarHBondContact O-CG 3.33Å; I418-L422 PolarHBondContact O-N 3.3Å; L422-G424 PolarHBondContact O-N 3.25Å; L422-I425 PolarHBondContact O-N 2.95Å; L422-L426 WeakPolarHBondContact O-CB 3.25Å; L422-L426 VanDerWaalsContact O-CG 3.29Å; L422-L426 WeakPolarHBondContact O-CG 3.18Å; L422-L426 PolarHBondContact O-N 3.06Å; L422-I571 HydrophobicContact CD2-CG1 4.32Å; L422-I571 HydrophobicContact CD2-CG2 3.84Å; L422-L574 HydrophobicContact CD2-CD2 3.87Å; L422-L574 HydrophobicContact CG-CD2 3.8Å; L422-F575 HydrophobicContact CD1-CE2 4.1Å; L422-F575 HydrophobicContact CD1-CZ 4.1Å; L422-F575 HydrophobicContact CD2-CE2 4.24Å |
| 423 | L | 91.2 | Very high | 84.6 | Confident | 58 Ų | 58 | 55.5 Ų | 55.5 | 30% | 0.304 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.3 | -32.2 | 173.7 | -74.4 | 169.9 | 0 | 0 | 0 | 112.3 | L280 K419 Q420 K427 | L280-L423 HydrophobicContact CD1-CD1 4.28Å; L280-L423 HydrophobicContact CD1-CD2 3.6Å; L280-L423 HydrophobicContact CD1-CG 3.56Å; K419-L423 VanDerWaalsContact O-CG 3.3Å; K419-L423 WeakPolarHBondContact O-CG 3.29Å; K419-L423 PolarHBondContact O-N 3.38Å; K419-L423 VanDerWaalsContact O-N 3.09Å; Q420-L423 PolarHBondContact O-N 3.2Å; L423-K427 WeakPolarHBondContact O-CB 3.4Å; L423-K427 WeakPolarHBondContact O-CD 3.47Å; L423-K427 WeakPolarHBondContact O-CG 3.36Å; L423-K427 PolarHBondContact O-N 3.42Å |
| 424 | G | 87.1 | Confident | 82.6 | Confident | 37 Ų | 37 | 63.9 Ų | 63.9 | 38% | 0.381 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.9 | -55.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q420 S421 L422 L426 K427 L428 | Q420-G424 PolarHBondContact O-N 3.1Å; S421-G424 WeakPolarHBondContact O-CA 3.43Å; S421-G424 PolarHBondContact O-N 3.18Å; S421-G424 VanDerWaalsContact O-N 3.12Å; L422-G424 PolarHBondContact O-N 3.25Å; G424-L426 PolarHBondContact O-N 2.92Å; G424-K427 PolarHBondContact O-N 2.83Å; G424-L428 PolarHBondContact O-N 3.27Å; G424-L428 VanDerWaalsContact O-N 3.13Å |
| 425 | I | 87.9 | Confident | 80.1 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 21% | 0.205 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.4 | -46.3 | -179 | -64.4 | 165.9 | 0 | 0 | 0 | 110.9 | S421 L422 K427 L428 A429 A570 I571 L574 | S421-I425 WeakPolarHBondContact O-CG1 3.45Å; S421-I425 PolarHBondContact O-N 2.86Å; L422-I425 PolarHBondContact O-N 2.95Å; I425-K427 PolarHBondContact O-N 2.88Å; I425-L428 PolarHBondContact O-N 3.2Å; I425-A429 WeakPolarHBondContact O-CB 3.48Å; I425-A429 PolarHBondContact O-N 2.81Å; I425-A570 HydrophobicContact CD1-CB 4.48Å; I425-A570 HydrophobicContact CG2-CB 4.43Å; I425-I571 HydrophobicContact CG2-CG1 4.03Å; I425-L574 HydrophobicContact CD1-CD2 4.33Å |
| 426 | L | 87 | Confident | 77.4 | Confident | 19 Ų | 19 | 68.5 Ų | 68.5 | 10% | 0.099 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.9 | -30.5 | -178.8 | -67.2 | 169.3 | 0 | 0 | 0 | 113.2 | E272 F275 L422 G424 K430 | E272-L426 HydrophobicContact CG-CD2 4.31Å; F275-L426 HydrophobicContact CB-CD1 3.86Å; F275-L426 HydrophobicContact CB-CD2 4.48Å; F275-L426 HydrophobicContact CD2-CD1 3.82Å; F275-L426 HydrophobicContact CD2-CD2 4Å; F275-L426 HydrophobicContact CD2-CG 4.42Å; F275-L426 HydrophobicContact CG-CD1 3.94Å; L422-L426 WeakPolarHBondContact O-CB 3.25Å; L422-L426 VanDerWaalsContact O-CG 3.29Å; L422-L426 WeakPolarHBondContact O-CG 3.18Å; L422-L426 PolarHBondContact O-N 3.06Å; G424-L426 PolarHBondContact O-N 2.92Å; L426-K430 WeakPolarHBondContact O-CB 3.47Å; L426-K430 VanDerWaalsContact O-CG 3.29Å; L426-K430 WeakPolarHBondContact O-CG 3.37Å; L426-K430 PolarHBondContact O-N 2.66Å; L426-K430 VanDerWaalsContact O-N 3.11Å |
| 427 | K | 85 | Confident | 74.8 | Confident | 132 Ų | 132 | 68.6 Ų | 68.6 | 57% | 0.574 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.6 | -45.6 | 171.1 | -75.3 | 165 | -168.7 | 170.5 | 0 | 111 | L423 G424 I425 K430 H431 | L423-K427 WeakPolarHBondContact O-CB 3.4Å; L423-K427 WeakPolarHBondContact O-CD 3.47Å; L423-K427 WeakPolarHBondContact O-CG 3.36Å; L423-K427 PolarHBondContact O-N 3.42Å; G424-K427 PolarHBondContact O-N 2.83Å; I425-K427 PolarHBondContact O-N 2.88Å; K427-K430 PolarHBondContact O-N 3.03Å; K427-H431 PolarHBondContact O-CD2 3.28Å; K427-H431 PolarHBondContact O-N 3.4Å |
| 428 | L | 80.1 | Confident | 72 | Confident | 106 Ų | 106 | 68 Ų | 68 | 56% | 0.555 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.4 | -48.5 | 179.5 | -162.5 | 166.1 | 0 | 0 | 0 | 110.7 | G424 I425 K430 H431 L432 | G424-L428 PolarHBondContact O-N 3.27Å; G424-L428 VanDerWaalsContact O-N 3.13Å; I425-L428 PolarHBondContact O-N 3.2Å; L428-K430 VanDerWaalsContact C-N 3.33Å; L428-K430 PolarHBondContact O-N 3.35Å; L428-H431 WeakPolarHBondContact O-CB 3.29Å; L428-H431 PolarHBondContact O-N 3.17Å; L428-H431 VanDerWaalsContact O-N 3.12Å; L428-L432 HydrophobicContact CD2-CD1 3.56Å; L428-L432 HydrophobicContact CD2-CG 4.02Å; L428-L432 PolarHBondContact O-N 2.83Å |
| 429 | A | 78.3 | Confident | 69.1 | Low | 2 Ų | 2 | 73.5 Ų | 73.5 | 2% | 0.017 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.5 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E272 I425 L432 S433 K563 I567 | E272-A429 WeakPolarHBondContact OE1-CB 3.23Å; I425-A429 WeakPolarHBondContact O-CB 3.48Å; I425-A429 PolarHBondContact O-N 2.81Å; A429-L432 PolarHBondContact O-N 3.32Å; A429-S433 PolarHBondContact O-N 3.05Å; A429-S433 PolarHBondContact O-OG 3.38Å; A429-K563 PolarHBondContact O-NZ 2.87Å; A429-I567 HydrophobicContact CB-CD1 3.61Å; A429-I567 HydrophobicContact CB-CG1 4.04Å |
| 430 | K | 77.3 | Confident | 66.2 | Low | 85 Ų | 85 | 76.9 Ų | 76.9 | 37% | 0.37 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -70 | -30 | 175.9 | -74.1 | 178 | 175.9 | -173 | 0 | 113.3 | E276 L426 K427 L428 S433 | E276-K430 WeakPolarHBondContact OE1-CE 3.37Å; E276-K430 IonicContact OE1-NZ 3.46Å; E276-K430 PolarHBondContact OE1-NZ 3.09Å; L426-K430 WeakPolarHBondContact O-CB 3.47Å; L426-K430 VanDerWaalsContact O-CG 3.29Å; L426-K430 WeakPolarHBondContact O-CG 3.37Å; L426-K430 PolarHBondContact O-N 2.66Å; L426-K430 VanDerWaalsContact O-N 3.11Å; K427-K430 PolarHBondContact O-N 3.03Å; L428-K430 VanDerWaalsContact C-N 3.33Å; L428-K430 PolarHBondContact O-N 3.35Å; K430-S433 PolarHBondContact O-N 3.07Å |
| 431 | H | 72.4 | Confident | 63.2 | Low | 132 Ų | 132 | 76.7 Ų | 76.7 | 61% | 0.611 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.8 | -47.4 | 167.5 | -93.6 | -93 | 0 | 0 | 0 | 111.8 | K427 L428 S433 R434 S435 | K427-H431 PolarHBondContact O-CD2 3.28Å; K427-H431 PolarHBondContact O-N 3.4Å; L428-H431 WeakPolarHBondContact O-CB 3.29Å; L428-H431 PolarHBondContact O-N 3.17Å; L428-H431 VanDerWaalsContact O-N 3.12Å; H431-S433 PolarHBondContact O-N 3.49Å; H431-S433 VanDerWaalsContact O-N 3.12Å; H431-R434 PolarHBondContact O-N 3.34Å; H431-S435 PolarHBondContact O-N 3Å |
| 432 | L | 62.7 | Low | 60.1 | Low | 48 Ų | 48 | 80.1 Ų | 80.1 | 25% | 0.251 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.8 | -18.7 | 174.3 | -69.3 | 173.1 | 0 | 0 | 0 | 113.5 | L428 A429 K563 | L428-L432 HydrophobicContact CD2-CD1 3.56Å; L428-L432 HydrophobicContact CD2-CG 4.02Å; L428-L432 PolarHBondContact O-N 2.83Å; A429-L432 PolarHBondContact O-N 3.32Å; L432-K563 PolarHBondContact O-NZ 2.97Å |
| 433 | S | 63.1 | Low | 56.9 | Low | 48 Ų | 48 | 88.9 Ų | 88.9 | 34% | 0.336 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -81.1 | -20.3 | 173.9 | -73.5 | 0 | 0 | 0 | 0 | 112.8 | A429 K430 H431 N437 K563 | A429-S433 PolarHBondContact O-N 3.05Å; A429-S433 PolarHBondContact O-OG 3.38Å; K430-S433 PolarHBondContact O-N 3.07Å; H431-S433 PolarHBondContact O-N 3.49Å; H431-S433 VanDerWaalsContact O-N 3.12Å; S433-N437 PolarHBondContact O-ND2 2.93Å; S433-K563 PolarHBondContact OG-NZ 3.15Å |
| 434 | R | 51.5 | Low | 53.8 | Low | 178 Ų | 178 | 94.6 Ų | 94.6 | 67% | 0.672 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -88.6 | -43.3 | -177.5 | -72.2 | 175 | 171.1 | 165.5 | -4 | 112.1 | H431 F436 N437 T438 | H431-R434 PolarHBondContact O-N 3.34Å; R434-F436 PolarHBondContact O-N 2.87Å; R434-N437 PolarHBondContact O-N 3.02Å; R434-T438 PolarHBondContact O-N 2.63Å; R434-T438 PolarHBondContact O-OG1 3.4Å |
| 435 | S | 36.6 | Very low | 50.7 | Low | 54 Ų | 54 | 99.9 Ų | 99.9 | 38% | 0.378 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.1 | -43.3 | -177.6 | 47.6 | 0 | 0 | 0 | 0 | 114 | H431 T438 | H431-S435 PolarHBondContact O-N 3Å; S435-T438 PolarHBondContact O-N 3.28Å; S435-T438 PolarHBondContact O-OG1 2.82Å |
| 436 | F | 33.2 | Very low | 47.7 | Very low | 94 Ų | 94 | 104 Ų | 104 | 41% | 0.412 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 177.4 | -84 | -89.2 | 0 | 0 | 0 | 113 | R434 T438 Q439 S559 | R434-F436 PolarHBondContact O-N 2.87Å; F436-T438 PolarHBondContact O-N 3.23Å; F436-Q439 PolarHBondContact O-N 2.96Å; F436-Q439 VanDerWaalsContact O-N 3.14Å; F436-S559 WeakPolarHBondContact CE1-OG 3.3Å |
| 437 | N | 33.6 | Very low | 44.7 | Very low | 116 Ų | 116 | 110 Ų | 110 | 62% | 0.62 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.6 | -27.6 | 179.4 | -80.2 | -85.2 | 0 | 0 | 0 | 112.4 | S433 R434 | S433-N437 PolarHBondContact O-ND2 2.93Å; R434-N437 PolarHBondContact O-N 3.02Å |
| 438 | T | 31.1 | Very low | 41.8 | Very low | 93 Ų | 93 | 112.3 Ų | 112.3 | 57% | 0.571 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -11.1 | 175.8 | 36.1 | 0 | 0 | 0 | 0 | 115.4 | R434 S435 F436 T441 | R434-T438 PolarHBondContact O-N 2.63Å; R434-T438 PolarHBondContact O-OG1 3.4Å; S435-T438 PolarHBondContact O-N 3.28Å; S435-T438 PolarHBondContact O-OG1 2.82Å; F436-T438 PolarHBondContact O-N 3.23Å; T438-T441 PolarHBondContact O-OG1 2.99Å |
| 439 | Q | 29.1 | Very low | 39.1 | Very low | 120 Ų | 120 | 115.5 Ų | 115.5 | 56% | 0.561 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -11.8 | 177.6 | -73.8 | -172.4 | -41 | 0 | 0 | 114.1 | F436 | F436-Q439 PolarHBondContact O-N 2.96Å; F436-Q439 VanDerWaalsContact O-N 3.14Å |
| 440 | I | 31.1 | Very low | 36.6 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 56% | 0.559 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -94.2 | -10.3 | 176.6 | -63 | 173 | 0 | 0 | 0 | 111.3 | T442 | I440-T442 VanDerWaalsContact C-N 3.35Å; I440-T442 PolarHBondContact O-N 3.48Å |
| 441 | T | 26.6 | Very low | 34.1 | Very low | 94 Ų | 94 | 123.9 Ų | 123.9 | 58% | 0.577 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 18.8 | -179.1 | 47.8 | 0 | 0 | 0 | 0 | 115 | T438 | T438-T441 PolarHBondContact O-OG1 2.99Š|
| 442 | T | 26.3 | Very low | 31.7 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 72% | 0.718 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 10.4 | 179.4 | 47.5 | 0 | 0 | 0 | 0 | 115.1 | I440 | I440-T442 VanDerWaalsContact C-N 3.35Å; I440-T442 PolarHBondContact O-N 3.48Å |
| 443 | E | 24.6 | Very low | 30 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 86% | 0.86 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -143.1 | 35.2 | 174 | -143.2 | 171.6 | -117 | 0 | 0 | 114.9 | ||
| 444 | Q | 25.5 | Very low | 28.3 | Very low | 179 Ų | 179 | 131.9 Ų | 131.9 | 84% | 0.836 | 69% | 0.693 | S | S | * | * | trans | -153 | 48.6 | 168.7 | -135.8 | 151.7 | 102.2 | 0 | 0 | 114.7 | T446 | Q444-T446 PolarHBondContact O-N 2.9Š| ||
| 445 | N | 22.4 | Very low | 26.9 | Very low | 147 Ų | 147 | 132 Ų | 132 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | trans | -74.7 | 91.5 | 172.1 | -89.4 | -22 | 0 | 0 | 0 | 111.6 | ||||
| 446 | T | 23.8 | Very low | 26.4 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | trans | -151.9 | 135.9 | 153.8 | -14.8 | 0 | 0 | 0 | 0 | 109.5 | Q444 | Q444-T446 PolarHBondContact O-N 2.9Š| ||
| 447 | V | 24.9 | Very low | 26.2 | Very low | 144 Ų | 144 | 136 Ų | 136 | 87% | 0.873 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 69.6 | 58.9 | -175.7 | -158.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 448 | Q | 23 | Very low | 25.9 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | -125.9 | 110.1 | 141.7 | -81 | -163.8 | -1.5 | 0 | 0 | 109.8 | ||||
| 449 | H | 25 | Very low | 25.8 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 80% | 0.801 | 75% | 0.748 | S | S | * | * | trans | -166.9 | 123.5 | 142.1 | -131.9 | -94.4 | 0 | 0 | 0 | 111.7 | ||||
| 450 | L | 24 | Very low | 25.7 | Very low | 162 Ų | 162 | 139 Ų | 139 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 144.7 | 103.1 | 163.9 | -86.6 | 169 | 0 | 0 | 0 | 108.8 | ||
| 451 | T | 26 | Very low | 25.3 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 61% | 0.613 | 77% | 0.773 | S | S | * | * | cis | -163.2 | 138.5 | -14 | -5.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 452 | D | 21.5 | Very low | 25.1 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -81.4 | 144.9 | 160.7 | -97.1 | -44.6 | 0 | 0 | 0 | 110.3 | ||||
| 453 | I | 27.9 | Very low | 25 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -135.5 | 120.9 | 160.2 | -65.1 | -174.9 | 0 | 0 | 0 | 108.3 | ||||
| 454 | S | 25.8 | Very low | 25 | Very low | 90 Ų | 90 | 137.1 Ų | 137.1 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | trans | -5 | 132.5 | 166.2 | 54.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 455 | Q | 23.6 | Very low | 24.9 | Very low | 180 Ų | 180 | 133 Ų | 133 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | 53.6 | 136.2 | 72.3 | -53.9 | 179.6 | 15.5 | 0 | 0 | 112.3 | |||||
| 456 | T | 26.1 | Very low | 25.1 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | cis | -159.2 | 166.5 | 44.7 | 49.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 457 | T | 28.3 | Very low | 25 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | 64.7 | 143.6 | 150.8 | 51.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 458 | T | 28.2 | Very low | 25 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | cis | -159 | 160.7 | -4 | 11 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 459 | P | 27.3 | Very low | 25.1 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | trans | -103.1 | 141.1 | -179.7 | 37.2 | -30.6 | 0 | 0 | 0 | 115 | ||||
| 460 | V | 28.1 | Very low | 25.3 | Very low | 150 Ų | 150 | 125.2 Ų | 125.2 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | -144.3 | 154.5 | 163.4 | -176 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 461 | S | 23 | Very low | 25.5 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -103.3 | 167 | -163.7 | -49.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 462 | C | 21.6 | Very low | 25.5 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | 100.8 | 138.6 | 145.2 | -67.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 463 | T | 24.7 | Very low | 25.8 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | trans | 83.4 | 115.8 | 145.7 | 39.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 464 | T | 24.6 | Very low | 25.7 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | trans | 71.8 | 98.3 | 137.4 | 51.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 465 | S | 23.4 | Very low | 25.7 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | 48 | 115.5 | 124.4 | 60.1 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 466 | H | 25.5 | Very low | 25.8 | Very low | 165 Ų | 165 | 125.1 Ų | 125.1 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | -178.9 | 149.8 | 94.2 | -97.1 | -78.3 | 0 | 0 | 0 | 112.8 | |||||
| 467 | T | 23.4 | Very low | 25.7 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 32.6 | 104.3 | 154.2 | 56.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 468 | A | 24.6 | Very low | 25.6 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | trans | -173 | 145.3 | 135.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 469 | A | 25.4 | Very low | 25.5 | Very low | 84 Ų | 84 | 119.2 Ų | 119.2 | 69% | 0.694 | 73% | 0.725 | S | S | * | * | trans | 34.7 | 129.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | V471 | A469-V471 PolarHBondContact O-N 3.5Å; A469-V471 VanDerWaalsContact O-N 3.14Å | ||
| 470 | P | 27.7 | Very low | 25.5 | Very low | 131 Ų | 131 | 119.6 Ų | 119.6 | 85% | 0.851 | 72% | 0.72 | S | S | * | * | trans | -71 | 107.9 | 165 | 30.5 | -32.4 | 0 | 0 | 0 | 110.8 | ||||
| 471 | V | 28.4 | Very low | 25.6 | Very low | 125 Ų | 125 | 115.9 Ų | 115.9 | 76% | 0.758 | 69% | 0.694 | S | S | * | * | trans | -60.4 | 132.6 | 171.5 | 177.3 | 0 | 0 | 0 | 0 | 109.6 | A469 R473 | A469-V471 PolarHBondContact O-N 3.5Å; A469-V471 VanDerWaalsContact O-N 3.14Å; V471-R473 PolarHBondContact O-N 3.45Å | ||
| 472 | P | 26.3 | Very low | 25.7 | Very low | 119 Ų | 119 | 120.1 Ų | 120.1 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | trans | -64 | 108.2 | 176.5 | 25.9 | -33.9 | 0 | 0 | 0 | 110 | ||||
| 473 | R | 28.5 | Very low | 25.9 | Very low | 211 Ų | 211 | 122.6 Ų | 122.6 | 80% | 0.796 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 132.6 | 178.7 | -163.4 | 178.7 | -63 | -172.8 | 4.9 | 109 | V471 K475 | V471-R473 PolarHBondContact O-N 3.45Å; R473-K475 PolarHBondContact O-N 3.03Å |
| 474 | P | 26.1 | Very low | 25.9 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 74% | 0.74 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 132.8 | 177.7 | 24.5 | -33.5 | 0 | 0 | 0 | 109.9 | ||
| 475 | K | 25.8 | Very low | 25.8 | Very low | 193 Ų | 193 | 118.5 Ų | 118.5 | 84% | 0.839 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 133.5 | -178.4 | -64.2 | -177.8 | 178 | -176.3 | 0 | 109.9 | R473 | R473-K475 PolarHBondContact O-N 3.03Š|
| 476 | P | 24.4 | Very low | 25.8 | Very low | 75 Ų | 75 | 120.9 Ų | 120.9 | 49% | 0.487 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 142.9 | 167.5 | 27.4 | -33.1 | 0 | 0 | 0 | 108.9 | S478 | P476-S478 VanDerWaalsContact C-N 3.31Å; P476-S478 PolarHBondContact O-N 2.93Å |
| 477 | P | 24.8 | Very low | 25.7 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 79% | 0.792 | 70% | 0.695 | S | S | * | * | trans | -71.3 | 88.1 | -179.3 | 29.2 | -34.3 | 0 | 0 | 0 | 109.6 | S479 | P477-S479 PolarHBondContact O-N 2.65Š| ||
| 478 | S | 25.2 | Very low | 25.8 | Very low | 57 Ų | 57 | 127.5 Ų | 127.5 | 40% | 0.399 | 70% | 0.703 | S | S | . | * | trans | -77 | 67.1 | -168.7 | 47.7 | 0 | 0 | 0 | 0 | 112.5 | R305 P476 | R305-S478 PolarHBondContact NH1-O 2.94Å; R305-S478 PolarHBondContact NH2-O 3.32Å; P476-S478 VanDerWaalsContact C-N 3.31Å; P476-S478 PolarHBondContact O-N 2.93Å | ||
| 479 | S | 27.1 | Very low | 25.9 | Very low | 56 Ų | 56 | 131.4 Ų | 131.4 | 39% | 0.392 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -162.7 | 147.6 | 178.2 | 58.4 | 0 | 0 | 0 | 0 | 112.3 | P477 I481 | P477-S479 PolarHBondContact O-N 2.65Å; S479-I481 PolarHBondContact O-N 2.9Å; S479-I481 WeakPolarHBondContact OG-CB 3.48Å |
| 480 | L | 27.2 | Very low | 25.8 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 65% | 0.654 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -73.9 | 44.4 | 162.7 | -113.9 | 170.6 | 0 | 0 | 0 | 111.2 | ||
| 481 | I | 30.1 | Very low | 25.6 | Very low | 71 Ų | 71 | 132.7 Ų | 132.7 | 36% | 0.364 | 71% | 0.706 | S | S | . | * | trans | -116.3 | 81 | 176.6 | -57.4 | 170 | 0 | 0 | 0 | 108 | L90 S479 T484 | L90-I481 HydrophobicContact CD1-CD1 4.42Å; L90-I481 HydrophobicContact CD1-CG1 4.44Å; S479-I481 PolarHBondContact O-N 2.9Å; S479-I481 WeakPolarHBondContact OG-CB 3.48Å; I481-T484 HydrophobicContact CG2-CG2 3.42Å; I481-T484 VanDerWaalsContact CG2-CG2 3.42Å; I481-T484 VanDerWaalsContact CG2-OG1 3.25Å; I481-T484 WeakPolarHBondContact CG2-OG1 3.43Å | ||
| 482 | K | 25.5 | Very low | 25.3 | Very low | 194 Ų | 194 | 134.6 Ų | 134.6 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -83.5 | 127.2 | 141.5 | -73.7 | 178.8 | 178.3 | 172.5 | 0 | 105.9 | ||
| 483 | F | 24.5 | Very low | 25.3 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 73% | 0.728 | 71% | 0.709 | S | S | * | * | trans | 80.8 | 64.5 | -175.9 | -55.6 | -77.7 | 0 | 0 | 0 | 119 | ||||
| 484 | T | 25.1 | Very low | 25.1 | Very low | 86 Ų | 86 | 134.6 Ų | 134.6 | 53% | 0.528 | 71% | 0.714 | S | S | . | * | trans | -113.3 | 64 | 143 | 52.2 | 0 | 0 | 0 | 0 | 111.1 | L90 I481 L486 | L90-T484 HydrophobicContact CD1-CG2 4.07Å; I481-T484 HydrophobicContact CG2-CG2 3.42Å; I481-T484 VanDerWaalsContact CG2-CG2 3.42Å; I481-T484 VanDerWaalsContact CG2-OG1 3.25Å; I481-T484 WeakPolarHBondContact CG2-OG1 3.43Å; T484-L486 PolarHBondContact O-N 2.81Å | ||
| 485 | G | 23.7 | Very low | 25.1 | Very low | 73 Ų | 73 | 133 Ų | 133 | 75% | 0.753 | 71% | 0.706 | S | S | * | * | trans | -89 | 78.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 486 | L | 23.2 | Very low | 25.1 | Very low | 142 Ų | 142 | 130 Ų | 130 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | trans | -174.4 | 70.1 | 164.4 | -108.9 | 165.6 | 0 | 0 | 0 | 112.7 | T484 | T484-L486 PolarHBondContact O-N 2.81Š| ||
| 487 | Q | 23.2 | Very low | 25.3 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | trans | -153.5 | 102.7 | 156.5 | -121.8 | -178.6 | 10.9 | 0 | 0 | 110.8 | ||||
| 488 | R | 25.5 | Very low | 25.3 | Very low | 252 Ų | 252 | 133 Ų | 133 | 95% | 0.951 | 71% | 0.706 | S | S | * | * | trans | -151.9 | 136.3 | 156.7 | -138.9 | 173.5 | -167.8 | 164.1 | 5.1 | 108.7 | ||||
| 489 | E | 25.9 | Very low | 25.4 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | trans | -75.1 | 154.7 | -168.2 | -63.6 | 169.9 | 116.9 | 0 | 0 | 112.7 | S491 | E489-S491 PolarHBondContact O-N 2.84Š| ||
| 490 | V | 22.9 | Very low | 25.3 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | trans | -77.4 | 101.2 | 171.8 | 176.4 | 0 | 0 | 0 | 0 | 109.3 | L492 | V490-L492 HydrophobicContact CG1-CD1 4.02Å; V490-L492 HydrophobicContact CG1-CG 3.81Å | ||
| 491 | S | 25.2 | Very low | 25.4 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | -103.5 | 101.3 | 163.2 | -75.1 | 0 | 0 | 0 | 0 | 109.6 | E489 A493 | E489-S491 PolarHBondContact O-N 2.84Å; S491-A493 PolarHBondContact O-N 3.09Å | ||
| 492 | L | 21.6 | Very low | 25.1 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | trans | -80.8 | 109.3 | -178.7 | -84.6 | 156.8 | 0 | 0 | 0 | 112.3 | V490 | V490-L492 HydrophobicContact CG1-CD1 4.02Å; V490-L492 HydrophobicContact CG1-CG 3.81Å | ||
| 493 | A | 26.5 | Very low | 25.2 | Very low | 91 Ų | 91 | 138.1 Ų | 138.1 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | -161.1 | 123 | 149.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S491 | S491-A493 PolarHBondContact O-N 3.09Š| ||
| 494 | R | 24.6 | Very low | 25.4 | Very low | 239 Ų | 239 | 137.6 Ų | 137.6 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | trans | 23.3 | 148.9 | 140.6 | -74.9 | 176.4 | 172.1 | 162.8 | -3.7 | 121 | ||||
| 495 | S | 24.2 | Very low | 25.4 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 56% | 0.559 | 76% | 0.76 | S | S | * | * | cis | 172.3 | 134 | -16.5 | 50.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 496 | N | 27.2 | Very low | 25.6 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | 175.6 | 160.2 | 85.7 | -88.9 | -46 | 0 | 0 | 0 | 110.8 | |||||
| 497 | H | 28.1 | Very low | 25.6 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | 15.7 | 141.6 | 145.1 | -59.2 | -67.3 | 0 | 0 | 0 | 120.7 | ||||
| 498 | S | 24.9 | Very low | 25.8 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | cis | -176.3 | -170.4 | 1.9 | 53.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 499 | Q | 27.6 | Very low | 25.7 | Very low | 176 Ų | 176 | 132.9 Ų | 132.9 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | cis | -156.8 | -155.8 | 10.3 | -148.1 | 164.1 | -110.4 | 0 | 0 | 111.8 | ||||
| 500 | S | 25.5 | Very low | 25.8 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | trans | -77.8 | 174.2 | 176.3 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 501 | V | 27.8 | Very low | 26 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 76% | 0.758 | 73% | 0.73 | S | S | * | * | cis | -151.3 | 160 | 44.2 | 173.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 502 | C | 24.8 | Very low | 26.1 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 69% | 0.689 | 73% | 0.726 | S | S | * | * | trans | -42.2 | -173.1 | 166.8 | -34.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 503 | D | 27.8 | Very low | 26.2 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 63% | 0.631 | 72% | 0.716 | S | S | * | * | cis | -165.4 | 162.4 | 24.8 | -125 | -42.5 | 0 | 0 | 0 | 113.1 | ||||
| 504 | Q | 27.6 | Very low | 26.2 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | trans | 55.1 | 146.8 | 147.5 | -77.5 | 151.1 | 50.8 | 0 | 0 | 122.2 | ||||
| 505 | D | 25.7 | Very low | 26.1 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 79% | 0.786 | 71% | 0.714 | S | S | * | * | cis | -146.3 | -139.2 | -17.8 | -138.7 | 51.2 | 0 | 0 | 0 | 109.2 | ||||
| 506 | D | 27.1 | Very low | 26.1 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | cis | -150.3 | -131.5 | 10 | -165.9 | -51.7 | 0 | 0 | 0 | 108.7 | ||||
| 507 | S | 24.2 | Very low | 26 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | trans | -135.7 | 177.6 | -165.7 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 508 | S | 26.2 | Very low | 25.8 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | cis | -162.9 | 146.2 | 29 | 65.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 509 | M | 24.4 | Very low | 25.7 | Very low | 152 Ų | 152 | 148.6 Ų | 148.6 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | 96.4 | 102 | 100.5 | -88.5 | -88.1 | -77.6 | 0 | 0 | 117.3 | |||||
| 510 | E | 27.8 | Very low | 25.7 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | 172.6 | 120.1 | 119 | -88.9 | -162.1 | 143.1 | 0 | 0 | 109.4 | |||||
| 511 | N | 26.3 | Very low | 25.6 | Very low | 107 Ų | 107 | 152.1 Ų | 152.1 | 57% | 0.572 | 74% | 0.737 | S | S | * | * | 68.2 | 126.8 | 76.8 | -74.7 | -48.2 | 0 | 0 | 0 | 113.8 | |||||
| 512 | R | 27.9 | Very low | 25.4 | Very low | 200 Ų | 200 | 153.5 Ų | 153.5 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | cis | -158 | 142 | 9.4 | -107.6 | 176.5 | -162.7 | -155.5 | 10.5 | 115.4 | ||||
| 513 | Q | 24.5 | Very low | 25.4 | Very low | 139 Ų | 139 | 154.2 Ų | 154.2 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | trans | 39.8 | 111.3 | 132.7 | -61.7 | 171.5 | -44.3 | 0 | 0 | 121.9 | ||||
| 514 | R | 25.2 | Very low | 25.2 | Very low | 232 Ų | 232 | 155.2 Ų | 155.2 | 88% | 0.875 | 74% | 0.743 | S | S | * | * | -171.2 | 133.2 | 98.9 | -84 | -170 | -157.1 | -147.1 | 6.5 | 107.7 | |||||
| 515 | Q | 22.9 | Very low | 25.2 | Very low | 155 Ų | 155 | 153.7 Ų | 153.7 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | cis | 78.5 | 94.4 | 15.5 | -154 | 176.5 | 26.5 | 0 | 0 | 116.1 | ||||
| 516 | E | 25.3 | Very low | 25.1 | Very low | 159 Ų | 159 | 150.9 Ų | 150.9 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | trans | 179.5 | 111.3 | 132.9 | -97.5 | 159.4 | -166.7 | 0 | 0 | 110.4 | ||||
| 517 | Q | 25.4 | Very low | 25 | Very low | 158 Ų | 158 | 151.5 Ų | 151.5 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | 74 | 106.9 | 106 | -67.4 | -176.7 | 34.6 | 0 | 0 | 115.5 | |||||
| 518 | F | 22 | Very low | 25.2 | Very low | 194 Ų | 194 | 153.3 Ų | 153.3 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | 70.2 | 111.9 | 76.2 | -93.1 | -81.9 | 0 | 0 | 0 | 115.6 | |||||
| 519 | Y | 23 | Very low | 25.2 | Very low | 200 Ų | 200 | 153.4 Ų | 153.4 | 78% | 0.784 | 75% | 0.751 | S | S | * | * | 174.8 | 104.1 | 125.5 | -105.2 | -68 | 0 | 0 | 0 | 113.9 | R521 | Y519-R521 HydrophobicContact CD1-CB 4.41Š| |||
| 520 | I | 27.3 | Very low | 25.2 | Very low | 167 Ų | 167 | 150.9 Ų | 150.9 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | -147.6 | 90.9 | 122.7 | -60.1 | -167.6 | 0 | 0 | 0 | 103.8 | |||||
| 521 | R | 23.9 | Very low | 25.1 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | 65.9 | 76 | 86 | -163.8 | 179.3 | -173.9 | 159.9 | 4.9 | 113.3 | Y519 N523 | Y519-R521 HydrophobicContact CD1-CB 4.41Å; R521-N523 VanDerWaalsContact CZ-OD1 3.29Å; R521-N523 PolarHBondContact NE-OD1 2.8Å; R521-N523 PolarHBondContact NH2-OD1 2.84Å | |||
| 522 | N | 23.4 | Very low | 25.2 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | trans | -54.8 | 138 | 137.4 | -88 | -3.8 | 0 | 0 | 0 | 108 | ||||
| 523 | N | 25.4 | Very low | 25.1 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 62% | 0.62 | 76% | 0.763 | S | S | * | * | trans | -120.5 | 112 | 168.4 | -147 | 71.3 | 0 | 0 | 0 | 106.7 | R521 | R521-N523 VanDerWaalsContact CZ-OD1 3.29Å; R521-N523 PolarHBondContact NE-OD1 2.8Å; R521-N523 PolarHBondContact NH2-OD1 2.84Å | ||
| 524 | N | 23.8 | Very low | 25.3 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | -67 | 139.2 | -177.7 | -65.8 | -24.2 | 0 | 0 | 0 | 110.9 | ||||
| 525 | S | 26.8 | Very low | 25.4 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | -135.5 | 88.7 | 148.7 | 59 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 526 | S | 24.6 | Very low | 26.1 | Very low | 89 Ų | 89 | 137.9 Ų | 137.9 | 62% | 0.622 | 77% | 0.772 | S | S | * | * | trans | -83.7 | 157.1 | 177.7 | 41.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 527 | N | 24.6 | Very low | 26.9 | Very low | 150 Ų | 150 | 137 Ų | 137 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | 72.5 | 134.3 | -179.3 | -42.8 | -29.4 | 0 | 0 | 0 | 112.1 | ||||
| 528 | V | 28.8 | Very low | 28 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | cis | -134.5 | 168.5 | 42.1 | 163.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 529 | S | 25.3 | Very low | 29.7 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | trans | -57 | 134.4 | -169.9 | 52.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 530 | A | 25.5 | Very low | 32 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | 21 | 120.3 | 131.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 531 | S | 25.6 | Very low | 34.3 | Very low | 107 Ų | 107 | 119 Ų | 119 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | -160.2 | 171.6 | 128.2 | 48.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 532 | D | 28.7 | Very low | 36.9 | Very low | 146 Ų | 146 | 115.7 Ų | 115.7 | 78% | 0.781 | 69% | 0.689 | S | S | * | * | trans | 72.1 | 86.9 | 160.5 | -58.2 | -7.6 | 0 | 0 | 0 | 121.3 | S534 | D532-S534 PolarHBondContact O-N 2.88Š| ||
| 533 | S | 26.1 | Very low | 39.6 | Very low | 112 Ų | 112 | 114.4 Ų | 114.4 | 78% | 0.783 | 68% | 0.678 | S | S | * | * | trans | -2.7 | 108.5 | 137.7 | 54.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 534 | S | 27.9 | Very low | 42.2 | Very low | 117 Ų | 117 | 111.2 Ų | 111.2 | 82% | 0.818 | 66% | 0.662 | S | S | * | * | 177.5 | 98.7 | 108.7 | 43 | 0 | 0 | 0 | 0 | 111.3 | D532 | D532-S534 PolarHBondContact O-N 2.88Š| |||
| 535 | C | 26.1 | Very low | 45 | Very low | 117 Ų | 117 | 104.6 Ų | 104.6 | 79% | 0.791 | 63% | 0.627 | S | S | * | * | trans | -130.9 | 114.2 | 177.1 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 536 | T | 39.1 | Very low | 47.7 | Very low | 135 Ų | 135 | 99.5 Ų | 99.5 | 83% | 0.828 | 59% | 0.591 | S | S | * | * | trans | -131.9 | 78.5 | 172 | 51 | 0 | 0 | 0 | 0 | 109.4 | Q538 | T536-Q538 PolarHBondContact O-N 2.91Š| ||
| 537 | N | 41 | Very low | 50.4 | Low | 141 Ų | 141 | 100.7 Ų | 100.7 | 75% | 0.754 | 59% | 0.585 | S | S | * | * | trans | 41.3 | 70.1 | 158.7 | -58.5 | -8.5 | 0 | 0 | 0 | 116.7 | I539 | N537-I539 PolarHBondContact O-N 2.84Å; N537-I539 VanDerWaalsContact O-N 3.15Å | ||
| 538 | Q | 48.5 | Very low | 53.2 | Low | 139 Ų | 139 | 93.9 Ų | 93.9 | 65% | 0.65 | 55% | 0.55 | S | S | * | . | trans | -59.8 | 116.7 | 153.2 | -79.8 | -178.3 | -17.7 | 0 | 0 | 108.1 | T536 N540 | T536-Q538 PolarHBondContact O-N 2.91Å; Q538-N540 PolarHBondContact O-N 3.49Å | ||
| 539 | I | 58 | Low | 55.9 | Low | 83 Ų | 83 | 87.4 Ų | 87.4 | 43% | 0.426 | 51% | 0.511 | S | S | . | . | trans | -67.9 | 119.5 | 174.4 | -63.3 | 174 | 0 | 0 | 0 | 107.2 | Q80 N537 Y541 V544 | Q80-I539 PolarHBondContact NE2-O 3.02Å; N537-I539 PolarHBondContact O-N 2.84Å; N537-I539 VanDerWaalsContact O-N 3.15Å; I539-Y541 VanDerWaalsContact C-N 3.31Å; I539-Y541 PolarHBondContact O-N 2.94Å; I539-V544 HydrophobicContact CG2-CG2 3.66Å | ||
| 540 | N | 70.9 | Confident | 58.7 | Low | 89 Ų | 89 | 88.3 Ų | 88.3 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | trans | -69.2 | 91.5 | 174.3 | -174.8 | 0.6 | 0 | 0 | 0 | 109.5 | Q538 F542 E543 V544 | Q538-N540 PolarHBondContact O-N 3.49Å; N540-F542 PolarHBondContact O-N 2.83Å; N540-F542 PolarHBondContact OD1-N 3.23Å; N540-E543 HydrophobicContact CB-CB 3.97Å; N540-E543 WeakPolarHBondContact O-CB 3.46Å; N540-E543 PolarHBondContact O-N 2.92Å; N540-V544 PolarHBondContact O-N 2.75Å | ||
| 541 | Y | 76 | Confident | 61.4 | Low | 29 Ų | 29 | 87.5 Ų | 87.5 | 11% | 0.114 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -51.1 | -41.2 | -177.5 | 164.9 | -103.9 | 0 | 0 | 0 | 112.4 | F85 C114 F167 Y196 I539 E543 V544 C545 | F85-Y541 AromaticContact CE2-CD2 3.94Å; F85-Y541 HydrophobicContact CE2-CD2 3.94Å; F85-Y541 AromaticContact CZ-CD2 3.92Å; F85-Y541 HydrophobicContact CZ-CD2 3.92Å; C114-Y541 PolarHBondContact O-OH 2.76Å; C114-Y541 WeakPolarHBondContact SG-CE2 3.37Å; F167-Y541 HydrophobicContact CE1-CD1 4.04Å; F167-Y541 HydrophobicContact CE1-CD2 4.08Å; F167-Y541 AromaticContact CE1-CG 3.8Å; F167-Y541 HydrophobicContact CE1-CG 3.8Å; F167-Y541 HydrophobicContact CZ-CG 4.21Å; Y196-Y541 HydrophobicContact CE1-CE1 4.03Å; Y196-Y541 PolarHBondContact OH-OH 2.79Å; I539-Y541 VanDerWaalsContact C-N 3.31Å; I539-Y541 PolarHBondContact O-N 2.94Å; Y541-E543 VanDerWaalsContact C-N 3.33Å; Y541-E543 PolarHBondContact O-N 3.02Å; Y541-V544 PolarHBondContact O-N 3.24Å; Y541-C545 WeakPolarHBondContact CE2-SG 3.26Å; Y541-C545 PolarHBondContact O-N 3.28Å |
| 542 | F | 78.4 | Confident | 64.1 | Low | 105 Ų | 105 | 83.1 Ų | 83.1 | 46% | 0.461 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.7 | -36.9 | 177.6 | -175.5 | -91.7 | 0 | 0 | 0 | 112.7 | Y196 N540 S546 | Y196-F542 AromaticContact CD1-CD2 3.84Å; Y196-F542 HydrophobicContact CD1-CD2 3.84Å; Y196-F542 HydrophobicContact CD1-CE2 4.04Å; N540-F542 PolarHBondContact O-N 2.83Å; N540-F542 PolarHBondContact OD1-N 3.23Å; F542-S546 WeakPolarHBondContact O-CB 3.49Å; F542-S546 PolarHBondContact O-N 2.75Å |
| 543 | E | 80.1 | Confident | 66.7 | Low | 129 Ų | 129 | 78.1 Ų | 78.1 | 60% | 0.603 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -68.8 | -40.9 | 177.6 | -171.5 | -179 | 162.8 | 0 | 0 | 111.8 | N540 Y541 S546 K547 | N540-E543 HydrophobicContact CB-CB 3.97Å; N540-E543 WeakPolarHBondContact O-CB 3.46Å; N540-E543 PolarHBondContact O-N 2.92Å; Y541-E543 VanDerWaalsContact C-N 3.33Å; Y541-E543 PolarHBondContact O-N 3.02Å; E543-S546 PolarHBondContact O-N 2.9Å; E543-K547 WeakPolarHBondContact O-CB 3.44Å; E543-K547 PolarHBondContact O-N 2.87Å |
| 544 | V | 80.2 | Confident | 69 | Low | 49 Ų | 49 | 77.4 Ų | 77.4 | 30% | 0.297 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.4 | -49.5 | 175.3 | 178 | 0 | 0 | 0 | 0 | 110.5 | I539 N540 Y541 K547 A548 | I539-V544 HydrophobicContact CG2-CG2 3.66Å; N540-V544 PolarHBondContact O-N 2.75Å; Y541-V544 PolarHBondContact O-N 3.24Å; V544-K547 PolarHBondContact O-N 3.41Å; V544-A548 PolarHBondContact O-N 3.02Å |
| 545 | C | 82.7 | Confident | 71.2 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.5 | -37.4 | 178.4 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | W192 Y196 Y541 K547 A548 A549 | W192-C545 HydrophobicContact CH2-CB 3.86Å; W192-C545 HydrophobicContact CZ2-CB 3.89Å; Y196-C545 HydrophobicContact CD1-CB 3.3Å; Y196-C545 HydrophobicContact CD2-CB 4.17Å; Y196-C545 HydrophobicContact CE1-CB 3.37Å; Y196-C545 HydrophobicContact CE2-CB 4.28Å; Y196-C545 HydrophobicContact CG-CB 3.71Å; Y541-C545 WeakPolarHBondContact CE2-SG 3.26Å; Y541-C545 PolarHBondContact O-N 3.28Å; C545-K547 VanDerWaalsContact C-N 3.29Å; C545-K547 PolarHBondContact O-N 2.87Å; C545-A548 PolarHBondContact O-N 3.05Å; C545-A549 VanDerWaalsContact O-CB 3.27Å; C545-A549 WeakPolarHBondContact O-CB 3.33Å; C545-A549 PolarHBondContact O-N 3.05Å |
| 546 | S | 82.8 | Confident | 73.1 | Confident | 16 Ų | 16 | 76.8 Ų | 76.8 | 11% | 0.112 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.5 | -32 | 174.2 | -166.5 | 0 | 0 | 0 | 0 | 112.6 | Y196 F542 E543 K550 | Y196-S546 VanDerWaalsContact O-CB 3.24Å; Y196-S546 WeakPolarHBondContact O-CB 3.49Å; Y196-S546 PolarHBondContact O-OG 3.26Å; F542-S546 WeakPolarHBondContact O-CB 3.49Å; F542-S546 PolarHBondContact O-N 2.75Å; E543-S546 PolarHBondContact O-N 2.9Å; S546-K550 VanDerWaalsContact O-CD 3.3Å; S546-K550 WeakPolarHBondContact O-CD 3.4Å; S546-K550 WeakPolarHBondContact O-CE 3.36Å; S546-K550 VanDerWaalsContact O-CG 3.3Å; S546-K550 WeakPolarHBondContact O-CG 3.44Å; S546-K550 PolarHBondContact O-N 2.93Å; S546-K550 PolarHBondContact OG-NZ 2.74Å |
| 547 | K | 83.1 | Confident | 74.7 | Confident | 113 Ų | 113 | 71 Ų | 71 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.1 | -45.2 | 172.3 | -174.1 | 177.2 | -179.8 | 178 | 0 | 111.6 | E543 V544 C545 K550 Q551 | E543-K547 WeakPolarHBondContact O-CB 3.44Å; E543-K547 PolarHBondContact O-N 2.87Å; V544-K547 PolarHBondContact O-N 3.41Å; C545-K547 VanDerWaalsContact C-N 3.29Å; C545-K547 PolarHBondContact O-N 2.87Å; K547-K550 PolarHBondContact O-N 3.22Å; K547-Q551 PolarHBondContact O-N 2.93Å |
| 548 | A | 82.7 | Confident | 76.3 | Confident | 7 Ų | 7 | 69.8 Ų | 69.8 | 6% | 0.058 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L90 W192 V544 C545 K550 Q551 I552 | L90-A548 HydrophobicContact CD2-CB 3.49Å; L90-A548 VanDerWaalsContact CD2-CB 3.49Å; W192-A548 HydrophobicContact CH2-CB 4.19Å; W192-A548 HydrophobicContact CZ3-CB 4.44Å; V544-A548 PolarHBondContact O-N 3.02Å; C545-A548 PolarHBondContact O-N 3.05Å; A548-K550 VanDerWaalsContact C-N 3.3Å; A548-K550 PolarHBondContact O-N 3.23Å; A548-Q551 PolarHBondContact O-N 3.31Å; A548-I552 WeakPolarHBondContact O-CG1 3.28Å; A548-I552 PolarHBondContact O-N 2.79Å |
| 549 | A | 85.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -53.2 | -44.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | W192 A193 I197 C545 Q551 I552 I553 | W192-A549 HydrophobicContact CZ3-CB 4.1Å; A193-A549 HydrophobicContact CB-CB 3.74Å; I197-A549 HydrophobicContact CD1-CB 3.96Å; I197-A549 HydrophobicContact CG1-CB 4.13Å; C545-A549 VanDerWaalsContact O-CB 3.27Å; C545-A549 WeakPolarHBondContact O-CB 3.33Å; C545-A549 PolarHBondContact O-N 3.05Å; A549-Q551 PolarHBondContact O-N 3.26Å; A549-I552 PolarHBondContact O-N 2.81Å; A549-I553 WeakPolarHBondContact O-CD1 3.22Å; A549-I553 WeakPolarHBondContact O-CG1 3.41Å; A549-I553 PolarHBondContact O-N 3.03Å |
| 550 | K | 84.3 | Confident | 78.5 | Confident | 122 Ų | 122 | 63.5 Ų | 63.5 | 53% | 0.53 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 176.6 | -68.2 | 162.9 | -167.5 | 164.8 | 0 | 112.8 | I197 S546 K547 A548 I553 S554 | I197-K550 HydrophobicContact CD1-CG 4.4Å; S546-K550 VanDerWaalsContact O-CD 3.3Å; S546-K550 WeakPolarHBondContact O-CD 3.4Å; S546-K550 WeakPolarHBondContact O-CE 3.36Å; S546-K550 VanDerWaalsContact O-CG 3.3Å; S546-K550 WeakPolarHBondContact O-CG 3.44Å; S546-K550 PolarHBondContact O-N 2.93Å; S546-K550 PolarHBondContact OG-NZ 2.74Å; K547-K550 PolarHBondContact O-N 3.22Å; A548-K550 VanDerWaalsContact C-N 3.3Å; A548-K550 PolarHBondContact O-N 3.23Å; K550-I553 PolarHBondContact O-N 2.79Å; K550-S554 PolarHBondContact O-N 3.47Å; K550-S554 PolarHBondContact O-OG 2.69Å |
| 551 | Q | 82.5 | Confident | 79.1 | Confident | 82 Ų | 82 | 59.2 Ų | 59.2 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -74.1 | -25.9 | 177.1 | -68.6 | 178.5 | -36.7 | 0 | 0 | 113.6 | K547 A548 A549 S554 | K547-Q551 PolarHBondContact O-N 2.93Å; A548-Q551 PolarHBondContact O-N 3.31Å; A549-Q551 PolarHBondContact O-N 3.26Å; Q551-S554 PolarHBondContact O-OG 2.85Å |
| 552 | I | 82.4 | Confident | 79.3 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 7% | 0.072 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.5 | -45.3 | 170.1 | -72.9 | 170.9 | 0 | 0 | 0 | 109.5 | P91 E189 W192 R235 A548 A549 S554 | P91-I552 HydrophobicContact CG-CD1 4.03Å; E189-I552 HydrophobicContact CB-CG2 3.91Å; W192-I552 HydrophobicContact CE3-CD1 4.12Å; W192-I552 HydrophobicContact CZ3-CD1 3.91Å; R235-I552 PolarHBondContact NH1-O 3.15Å; A548-I552 WeakPolarHBondContact O-CG1 3.28Å; A548-I552 PolarHBondContact O-N 2.79Å; A549-I552 PolarHBondContact O-N 2.81Å; I552-S554 PolarHBondContact O-N 3.22Å |
| 553 | I | 82.9 | Confident | 79.4 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 21% | 0.21 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66 | -33 | -176.9 | -72.5 | 161.6 | 0 | 0 | 0 | 113.7 | A193 I197 F234 A549 K550 K555 | A193-I553 HydrophobicContact CB-CD1 3.84Å; A193-I553 HydrophobicContact CB-CG1 4.21Å; I197-I553 HydrophobicContact CD1-CD1 3.23Å; F234-I553 HydrophobicContact CB-CD1 4.42Å; F234-I553 HydrophobicContact CB-CG1 4.16Å; F234-I553 HydrophobicContact CB-CG2 4.06Å; F234-I553 HydrophobicContact CD1-CD1 3.96Å; F234-I553 HydrophobicContact CD2-CD1 3.4Å; F234-I553 VanDerWaalsContact CD2-CD1 3.4Å; F234-I553 HydrophobicContact CD2-CG1 3.74Å; F234-I553 HydrophobicContact CE1-CD1 3.99Å; F234-I553 HydrophobicContact CE2-CD1 3.43Å; F234-I553 VanDerWaalsContact CE2-CD1 3.43Å; F234-I553 HydrophobicContact CE2-CG1 4.24Å; F234-I553 HydrophobicContact CG-CD1 3.67Å; F234-I553 HydrophobicContact CG-CG1 3.93Å; F234-I553 HydrophobicContact CG-CG2 4.31Å; F234-I553 HydrophobicContact CZ-CD1 3.74Å; A549-I553 WeakPolarHBondContact O-CD1 3.22Å; A549-I553 WeakPolarHBondContact O-CG1 3.41Å; A549-I553 PolarHBondContact O-N 3.03Å; K550-I553 PolarHBondContact O-N 2.79Å; I553-K555 PolarHBondContact O-N 2.77Å |
| 554 | S | 75.1 | Confident | 79.7 | Confident | 98 Ų | 98 | 50.5 Ų | 50.5 | 69% | 0.685 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | 23.5 | -178.3 | 63.4 | 0 | 0 | 0 | 0 | 115.5 | K550 Q551 I552 | K550-S554 PolarHBondContact O-N 3.47Å; K550-S554 PolarHBondContact O-OG 2.69Å; Q551-S554 PolarHBondContact O-OG 2.85Å; I552-S554 PolarHBondContact O-N 3.22Å |
| 555 | K | 73.9 | Confident | 79.8 | Confident | 109 Ų | 109 | 49 Ų | 49 | 47% | 0.474 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -109.7 | 132.9 | -176.8 | -64.3 | 176.6 | -174.2 | 171.5 | 0 | 112.2 | I553 V557 | I553-K555 PolarHBondContact O-N 2.77Å; K555-V557 PolarHBondContact O-N 2.99Å |
| 556 | E | 65.3 | Low | 79.8 | Confident | 111 Ų | 111 | 54.1 Ų | 54.1 | 52% | 0.519 | 27% | 0.271 | S | S | . | . | trans | -69.8 | 125.6 | 171.1 | -67 | -168.9 | 166.8 | 0 | 0 | 112.2 | S560 | E556-S560 PolarHBondContact O-OG 3.35Š| ||
| 557 | V | 73.4 | Confident | 79.9 | Confident | 14 Ų | 14 | 54 Ų | 54 | 9% | 0.085 | 27% | 0.269 | C | S | . | . | trans | -93.4 | -48.4 | -175.6 | -176.2 | 0 | 0 | 0 | 0 | 112.7 | R235 H237 Y238 K555 S560 Y561 | R235-V557 VanDerWaalsContact CD-CG2 3.44Å; R235-V557 HydrophobicContact CG-CG2 4.13Å; H237-V557 HydrophobicContact CB-CG1 4.39Å; Y238-V557 HydrophobicContact CD2-CG1 4.33Å; K555-V557 PolarHBondContact O-N 2.99Å; V557-S560 PolarHBondContact O-N 3.14Å; V557-Y561 WeakPolarHBondContact O-CB 3.41Å; V557-Y561 PolarHBondContact O-N 2.95Å | ||
| 558 | Y | 74.1 | Confident | 80.2 | Confident | 115 Ų | 115 | 48.7 Ų | 48.7 | 45% | 0.451 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.4 | -44 | -168.5 | -175.2 | -102.8 | 0 | 0 | 0 | 113.9 | Y238 Y561 T562 | Y238-Y558 HydrophobicContact CD1-CD2 4.15Å; Y238-Y558 HydrophobicContact CD1-CE2 4.43Å; Y238-Y558 AromaticContact CD2-CD2 3.83Å; Y238-Y558 HydrophobicContact CD2-CD2 3.83Å; Y238-Y558 AromaticContact CE1-CD2 3.99Å; Y238-Y558 HydrophobicContact CE1-CD2 3.99Å; Y238-Y558 HydrophobicContact CE1-CE2 4.38Å; Y238-Y558 AromaticContact CE2-CD2 3.69Å; Y238-Y558 HydrophobicContact CE2-CD2 3.69Å; Y238-Y558 HydrophobicContact CE2-CG 4.24Å; Y238-Y558 HydrophobicContact CG-CD2 4.08Å; Y238-Y558 AromaticContact CZ-CD2 3.77Å; Y558-Y561 PolarHBondContact O-N 3.39Å; Y558-T562 HydrophobicContact CD1-CG2 4.33Å; Y558-T562 HydrophobicContact CD2-CG2 4.27Å; Y558-T562 HydrophobicContact CE1-CG2 3.88Å; Y558-T562 HydrophobicContact CE2-CG2 3.82Å; Y558-T562 WeakPolarHBondContact O-CG2 3.38Å; Y558-T562 PolarHBondContact O-N 3.05Å; Y558-T562 PolarHBondContact O-OG1 3.3Å |
| 559 | S | 73.8 | Confident | 80.2 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 22% | 0.217 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 175.1 | -177.7 | 0 | 0 | 0 | 0 | 111 | F436 Y561 T562 K563 | F436-S559 WeakPolarHBondContact CE1-OG 3.3Å; S559-Y561 PolarHBondContact O-N 3.45Å; S559-T562 PolarHBondContact O-OG1 3.19Å; S559-K563 WeakPolarHBondContact O-CB 3.48Å; S559-K563 PolarHBondContact O-N 3.2Å |
| 560 | S | 78.6 | Confident | 80.1 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 41% | 0.413 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 175.8 | -58.4 | 0 | 0 | 0 | 0 | 112.6 | E556 V557 L564 | E556-S560 PolarHBondContact O-OG 3.35Å; V557-S560 PolarHBondContact O-N 3.14Å; S560-L564 WeakPolarHBondContact O-CB 3.42Å; S560-L564 PolarHBondContact O-N 3.18Å; S560-L564 VanDerWaalsContact O-N 3.13Å |
| 561 | Y | 83.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.9 | -51.3 | -179.7 | -178.9 | -116.5 | 0 | 0 | 0 | 112.6 | F182 Y227 G239 Y240 E268 V557 Y558 S559 K563 L564 L565 | F182-Y561 HydrophobicContact CB-CD2 4.25Å; F182-Y561 HydrophobicContact CB-CE2 4.37Å; F182-Y561 AromaticContact CD1-CD2 3.48Å; F182-Y561 HydrophobicContact CD1-CD2 3.48Å; F182-Y561 VanDerWaalsContact CD1-CD2 3.48Å; F182-Y561 HydrophobicContact CD1-CE2 4.34Å; F182-Y561 HydrophobicContact CD1-CG 4.22Å; F182-Y561 HydrophobicContact CE1-CD2 4.13Å; F182-Y561 HydrophobicContact CE1-CG 4.49Å; F182-Y561 HydrophobicContact CG-CD2 4.14Å; Y227-Y561 HydrophobicContact CD1-CE1 4.11Å; Y227-Y561 HydrophobicContact CE1-CD1 4.49Å; Y227-Y561 AromaticContact CE1-CE1 3.94Å; Y227-Y561 HydrophobicContact CE1-CE1 3.94Å; G239-Y561 VanDerWaalsContact C-OH 3.31Å; G239-Y561 VanDerWaalsContact CA-OH 3.29Å; G239-Y561 WeakPolarHBondContact CA-OH 3.47Å; Y240-Y561 PolarHBondContact N-OH 2.9Å; E268-Y561 HydrophobicContact CG-CE2 4.24Å; E268-Y561 WeakPolarHBondContact OE1-CE2 3.42Å; E268-Y561 PolarHBondContact OE1-OH 2.66Å; V557-Y561 WeakPolarHBondContact O-CB 3.41Å; V557-Y561 PolarHBondContact O-N 2.95Å; Y558-Y561 PolarHBondContact O-N 3.39Å; S559-Y561 PolarHBondContact O-N 3.45Å; Y561-K563 VanDerWaalsContact C-N 3.3Å; Y561-K563 PolarHBondContact O-N 2.9Å; Y561-L564 HydrophobicContact CD2-CD2 4.48Å; Y561-L564 WeakPolarHBondContact O-CB 3.42Å; Y561-L564 PolarHBondContact O-N 2.82Å; Y561-L565 HydrophobicContact CD1-CD1 4.29Å; Y561-L565 HydrophobicContact CE1-CD1 3.69Å; Y561-L565 HydrophobicContact CE1-CG 4.39Å; Y561-L565 HydrophobicContact CE2-CD1 4.34Å; Y561-L565 HydrophobicContact CE2-CD2 4.1Å; Y561-L565 HydrophobicContact CE2-CG 4.25Å; Y561-L565 WeakPolarHBondContact O-CG 3.33Å; Y561-L565 PolarHBondContact O-N 3.42Å; Y561-L565 VanDerWaalsContact O-N 3.16Å |
| 562 | T | 79.1 | Confident | 80.6 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 16% | 0.16 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.6 | -40.8 | 179.3 | 50.3 | 0 | 0 | 0 | 0 | 111.4 | Y558 S559 L565 H566 | Y558-T562 HydrophobicContact CD1-CG2 4.33Å; Y558-T562 HydrophobicContact CD2-CG2 4.27Å; Y558-T562 HydrophobicContact CE1-CG2 3.88Å; Y558-T562 HydrophobicContact CE2-CG2 3.82Å; Y558-T562 WeakPolarHBondContact O-CG2 3.38Å; Y558-T562 PolarHBondContact O-N 3.05Å; Y558-T562 PolarHBondContact O-OG1 3.3Å; S559-T562 PolarHBondContact O-OG1 3.19Å; T562-L565 PolarHBondContact O-N 3.22Å; T562-H566 PolarHBondContact O-N 3.36Å; T562-H566 PolarHBondContact O-ND1 2.9Å |
| 563 | K | 81.9 | Confident | 80.7 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 17% | 0.165 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.8 | -48.7 | 174.3 | 176.6 | 174.3 | 179.4 | 175.8 | 0 | 112.9 | A429 L432 S433 S559 Y561 L565 H566 I567 | A429-K563 PolarHBondContact O-NZ 2.87Å; L432-K563 PolarHBondContact O-NZ 2.97Å; S433-K563 PolarHBondContact OG-NZ 3.15Å; S559-K563 WeakPolarHBondContact O-CB 3.48Å; S559-K563 PolarHBondContact O-N 3.2Å; Y561-K563 VanDerWaalsContact C-N 3.3Å; Y561-K563 PolarHBondContact O-N 2.9Å; K563-L565 VanDerWaalsContact C-N 3.31Å; K563-L565 PolarHBondContact O-N 3.45Å; K563-H566 PolarHBondContact O-N 2.61Å; K563-I567 HydrophobicContact CD-CD1 4.27Å; K563-I567 VanDerWaalsContact CE-CD1 3.47Å; K563-I567 HydrophobicContact CG-CD1 3.67Å; K563-I567 WeakPolarHBondContact O-CG1 3.47Å; K563-I567 PolarHBondContact O-N 2.99Å; K563-I567 VanDerWaalsContact O-N 3.14Å |
| 564 | L | 85.5 | Confident | 81 | Confident | 15 Ų | 15 | 45.1 Ų | 45.1 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.1 | -48.3 | 177.9 | 163.2 | 67.3 | 0 | 0 | 0 | 111.4 | F182 P270 S560 Y561 H566 I567 N568 | F182-L564 HydrophobicContact CB-CD2 3.8Å; F182-L564 HydrophobicContact CD1-CD2 4.21Å; F182-L564 HydrophobicContact CD2-CD2 3.42Å; F182-L564 VanDerWaalsContact CD2-CD2 3.42Å; F182-L564 HydrophobicContact CE2-CD2 3.97Å; F182-L564 HydrophobicContact CG-CD2 3.55Å; P270-L564 HydrophobicContact CB-CD1 3.97Å; S560-L564 WeakPolarHBondContact O-CB 3.42Å; S560-L564 PolarHBondContact O-N 3.18Å; S560-L564 VanDerWaalsContact O-N 3.13Å; Y561-L564 HydrophobicContact CD2-CD2 4.48Å; Y561-L564 WeakPolarHBondContact O-CB 3.42Å; Y561-L564 PolarHBondContact O-N 2.82Å; L564-H566 PolarHBondContact O-N 2.69Å; L564-I567 PolarHBondContact O-N 3.24Å; L564-N568 WeakPolarHBondContact CD1-ND2 3.18Å; L564-N568 WeakPolarHBondContact O-CB 3.44Å; L564-N568 VanDerWaalsContact O-CG 3.31Å; L564-N568 PolarHBondContact O-N 3.04Å |
| 565 | L | 83.1 | Confident | 81.8 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 9% | 0.089 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 179.6 | -63 | -175.1 | 0 | 0 | 0 | 112.7 | L266 E268 Y561 T562 K563 I567 N568 A569 | L266-L565 HydrophobicContact CD1-CD2 4.48Å; L266-L565 HydrophobicContact CD2-CD1 3.87Å; L266-L565 HydrophobicContact CD2-CD2 3.45Å; L266-L565 VanDerWaalsContact CD2-CD2 3.45Å; L266-L565 HydrophobicContact CD2-CG 4.28Å; L266-L565 HydrophobicContact CG-CD2 3.85Å; E268-L565 HydrophobicContact CG-CD2 4.32Å; Y561-L565 HydrophobicContact CD1-CD1 4.29Å; Y561-L565 HydrophobicContact CE1-CD1 3.69Å; Y561-L565 HydrophobicContact CE1-CG 4.39Å; Y561-L565 HydrophobicContact CE2-CD1 4.34Å; Y561-L565 HydrophobicContact CE2-CD2 4.1Å; Y561-L565 HydrophobicContact CE2-CG 4.25Å; Y561-L565 WeakPolarHBondContact O-CG 3.33Å; Y561-L565 PolarHBondContact O-N 3.42Å; Y561-L565 VanDerWaalsContact O-N 3.16Å; T562-L565 PolarHBondContact O-N 3.22Å; K563-L565 VanDerWaalsContact C-N 3.31Å; K563-L565 PolarHBondContact O-N 3.45Å; L565-I567 PolarHBondContact O-N 2.93Å; L565-N568 PolarHBondContact O-N 2.89Å; L565-A569 VanDerWaalsContact O-CB 3.29Å; L565-A569 WeakPolarHBondContact O-CB 3.49Å; L565-A569 PolarHBondContact O-N 3.08Å |
| 566 | H | 81.7 | Confident | 82.4 | Confident | 109 Ų | 109 | 35.4 Ų | 35.4 | 51% | 0.505 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.2 | -41.4 | -179.9 | -75 | 83.9 | 0 | 0 | 0 | 112.3 | T562 K563 L564 A569 A570 | T562-H566 PolarHBondContact O-N 3.36Å; T562-H566 PolarHBondContact O-ND1 2.9Å; K563-H566 PolarHBondContact O-N 2.61Å; L564-H566 PolarHBondContact O-N 2.69Å; H566-A569 PolarHBondContact O-N 2.93Å; H566-A570 WeakPolarHBondContact O-CB 3.43Å; H566-A570 PolarHBondContact O-N 3.2Å |
| 567 | I | 85.3 | Confident | 83.3 | Confident | 12 Ų | 12 | 33 Ų | 33 | 6% | 0.062 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.6 | -45.6 | 179.1 | -65.7 | 162.3 | 0 | 0 | 0 | 110.5 | E272 A429 K563 L564 L565 A569 A570 I571 | E272-I567 HydrophobicContact CG-CG2 3.81Å; A429-I567 HydrophobicContact CB-CD1 3.61Å; A429-I567 HydrophobicContact CB-CG1 4.04Å; K563-I567 HydrophobicContact CD-CD1 4.27Å; K563-I567 VanDerWaalsContact CE-CD1 3.47Å; K563-I567 HydrophobicContact CG-CD1 3.67Å; K563-I567 WeakPolarHBondContact O-CG1 3.47Å; K563-I567 PolarHBondContact O-N 2.99Å; K563-I567 VanDerWaalsContact O-N 3.14Å; L564-I567 PolarHBondContact O-N 3.24Å; L565-I567 PolarHBondContact O-N 2.93Å; I567-A569 VanDerWaalsContact C-N 3.3Å; I567-A569 PolarHBondContact O-N 2.88Å; I567-A570 PolarHBondContact O-N 2.77Å; I567-I571 HydrophobicContact CG2-CD1 3.67Å; I567-I571 HydrophobicContact CG2-CG1 4.45Å; I567-I571 WeakPolarHBondContact O-CG1 3.14Å; I567-I571 PolarHBondContact O-N 2.93Å |
| 568 | N | 88.6 | Confident | 84.2 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.5 | -40.2 | 176.5 | -74.3 | -5.1 | 0 | 0 | 0 | 111.8 | F267 Y269 I271 L564 L565 R572 | F267-N568 PolarHBondContact O-ND2 2.89Å; Y269-N568 PolarHBondContact O-ND2 3.14Å; I271-N568 WeakPolarHBondContact CB-OD1 3.12Å; I271-N568 HydrophobicContact CD1-CB 4.08Å; I271-N568 VanDerWaalsContact CG1-OD1 3.31Å; I271-N568 WeakPolarHBondContact CG1-OD1 3.23Å; I271-N568 PolarHBondContact N-OD1 3.21Å; L564-N568 WeakPolarHBondContact CD1-ND2 3.18Å; L564-N568 WeakPolarHBondContact O-CB 3.44Å; L564-N568 VanDerWaalsContact O-CG 3.31Å; L564-N568 PolarHBondContact O-N 3.04Å; L565-N568 PolarHBondContact O-N 2.89Å; N568-R572 WeakPolarHBondContact O-CB 3.3Å; N568-R572 WeakPolarHBondContact O-CD 3.3Å; N568-R572 VanDerWaalsContact O-CG 3.25Å; N568-R572 WeakPolarHBondContact O-CG 3.19Å; N568-R572 PolarHBondContact O-N 3.05Å |
| 569 | A | 83.3 | Confident | 85 | Confident | 38 Ų | 38 | 27.4 Ų | 27.4 | 31% | 0.314 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66.1 | -43 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L565 H566 I567 R572 N573 | L565-A569 VanDerWaalsContact O-CB 3.29Å; L565-A569 WeakPolarHBondContact O-CB 3.49Å; L565-A569 PolarHBondContact O-N 3.08Å; H566-A569 PolarHBondContact O-N 2.93Å; I567-A569 VanDerWaalsContact C-N 3.3Å; I567-A569 PolarHBondContact O-N 2.88Å; A569-R572 PolarHBondContact O-N 3.17Å; A569-N573 WeakPolarHBondContact O-CB 2.83Å; A569-N573 PolarHBondContact O-N 2.87Å; A569-N573 PolarHBondContact O-ND2 2.54Å |
| 570 | A | 83.8 | Confident | 85.6 | Confident | 32 Ų | 32 | 26.2 Ų | 26.2 | 26% | 0.264 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | I425 H566 I567 L574 | I425-A570 HydrophobicContact CD1-CB 4.48Å; I425-A570 HydrophobicContact CG2-CB 4.43Å; H566-A570 WeakPolarHBondContact O-CB 3.43Å; H566-A570 PolarHBondContact O-N 3.2Å; I567-A570 PolarHBondContact O-N 2.77Å; A570-L574 PolarHBondContact O-N 3.36Å |
| 571 | I | 89.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.5 | -44.9 | 178.8 | -64.2 | 163.5 | 0 | 0 | 0 | 111 | I271 F275 L316 L422 I425 I567 N573 L574 F575 | I271-I571 HydrophobicContact CB-CD1 4.06Å; I271-I571 HydrophobicContact CG2-CD1 3.9Å; I271-I571 HydrophobicContact CG2-CG2 4.01Å; F275-I571 HydrophobicContact CE2-CD1 4.26Å; F275-I571 HydrophobicContact CE2-CG2 4.32Å; L316-I571 HydrophobicContact CD2-CG2 3.99Å; L422-I571 HydrophobicContact CD2-CG1 4.32Å; L422-I571 HydrophobicContact CD2-CG2 3.84Å; I425-I571 HydrophobicContact CG2-CG1 4.03Å; I567-I571 HydrophobicContact CG2-CD1 3.67Å; I567-I571 HydrophobicContact CG2-CG1 4.45Å; I567-I571 WeakPolarHBondContact O-CG1 3.14Å; I567-I571 PolarHBondContact O-N 2.93Å; I571-N573 PolarHBondContact O-N 2.86Å; I571-L574 WeakPolarHBondContact O-CB 3.4Å; I571-L574 PolarHBondContact O-N 3.5Å; I571-F575 HydrophobicContact CG2-CE2 4.46Å |
| 572 | R | 88.1 | Confident | 86.1 | Confident | 17 Ų | 17 | 27.6 Ų | 27.6 | 6% | 0.064 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68 | -34.8 | -179.7 | -70 | 167.8 | 71.3 | -142.7 | 10.9 | 112.9 | L264 S265 I271 C315 L316 N568 A569 L574 F575 L576 | L264-R572 HydrophobicContact CD1-CB 4.49Å; S265-R572 VanDerWaalsContact O-CZ 3.28Å; S265-R572 PolarHBondContact O-NH1 3.31Å; S265-R572 PolarHBondContact O-NH2 3.44Å; I271-R572 HydrophobicContact CD1-CG 4.01Å; C315-R572 PolarHBondContact O-NE 2.83Å; L316-R572 HydrophobicContact CD2-CB 4.34Å; L316-R572 HydrophobicContact CD2-CG 3.62Å; N568-R572 WeakPolarHBondContact O-CB 3.3Å; N568-R572 WeakPolarHBondContact O-CD 3.3Å; N568-R572 VanDerWaalsContact O-CG 3.25Å; N568-R572 WeakPolarHBondContact O-CG 3.19Å; N568-R572 PolarHBondContact O-N 3.05Å; A569-R572 PolarHBondContact O-N 3.17Å; R572-L574 VanDerWaalsContact C-N 3.3Å; R572-L574 PolarHBondContact O-N 3.49Å; R572-F575 PolarHBondContact O-N 3.47Å; R572-L576 WeakPolarHBondContact O-CB 3.21Å; R572-L576 PolarHBondContact O-N 3.19Å; R572-L576 VanDerWaalsContact O-N 3.1Å |
| 573 | N | 83.3 | Confident | 86.5 | Confident | 67 Ų | 67 | 26.4 Ų | 26.4 | 36% | 0.358 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -64.2 | -32 | 173.5 | -82.7 | -58.9 | 0 | 0 | 0 | 112.9 | A569 I571 S577 | A569-N573 WeakPolarHBondContact O-CB 2.83Å; A569-N573 PolarHBondContact O-N 2.87Å; A569-N573 PolarHBondContact O-ND2 2.54Å; I571-N573 PolarHBondContact O-N 2.86Å; N573-S577 VanDerWaalsContact O-CB 3.26Å; N573-S577 WeakPolarHBondContact O-CB 3.24Å; N573-S577 PolarHBondContact O-N 2.86Å; N573-S577 PolarHBondContact O-OG 3.23Å |
| 574 | L | 89.9 | Confident | 86.6 | Confident | 36 Ų | 36 | 25.5 Ų | 25.5 | 19% | 0.188 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.3 | -50.2 | 176.6 | 178 | 64.4 | 0 | 0 | 0 | 111.6 | I418 L422 I425 A570 I571 R572 S577 N578 | I418-L574 HydrophobicContact CG2-CD2 4.04Å; I418-L574 HydrophobicContact CG2-CG 4.39Å; L422-L574 HydrophobicContact CD2-CD2 3.87Å; L422-L574 HydrophobicContact CG-CD2 3.8Å; I425-L574 HydrophobicContact CD1-CD2 4.33Å; A570-L574 PolarHBondContact O-N 3.36Å; I571-L574 WeakPolarHBondContact O-CB 3.4Å; I571-L574 PolarHBondContact O-N 3.5Å; R572-L574 VanDerWaalsContact C-N 3.3Å; R572-L574 PolarHBondContact O-N 3.49Å; L574-S577 PolarHBondContact O-N 3.21Å; L574-N578 PolarHBondContact O-N 2.88Å; L574-N578 VanDerWaalsContact O-N 3.09Å |
| 575 | F | 91.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.7 | -43.6 | 178 | -77.7 | -89.8 | 0 | 0 | 0 | 112.3 | F283 I284 F287 L316 F412 I418 L422 I571 R572 S577 N578 F579 | F283-F575 HydrophobicContact CE1-CE1 4.48Å; F283-F575 AromaticContact CE1-CZ 3.85Å; F283-F575 HydrophobicContact CE1-CZ 3.85Å; F283-F575 HydrophobicContact CZ-CZ 4.4Å; I284-F575 HydrophobicContact CD1-CZ 4.47Å; F287-F575 HydrophobicContact CD1-CD1 4.27Å; F287-F575 AromaticContact CD1-CE1 3.86Å; F287-F575 HydrophobicContact CD1-CE1 3.86Å; F287-F575 AromaticContact CE1-CD1 3.48Å; F287-F575 HydrophobicContact CE1-CD1 3.48Å; F287-F575 VanDerWaalsContact CE1-CD1 3.48Å; F287-F575 AromaticContact CE1-CE1 3.55Å; F287-F575 HydrophobicContact CE1-CE1 3.55Å; F287-F575 AromaticContact CZ-CD1 3.64Å; F287-F575 HydrophobicContact CZ-CD1 3.64Å; F287-F575 HydrophobicContact CZ-CE1 4.01Å; F287-F575 HydrophobicContact CZ-CG 4.49Å; L316-F575 HydrophobicContact CD1-CE2 4.43Å; L316-F575 HydrophobicContact CD2-CD2 3.73Å; L316-F575 HydrophobicContact CD2-CE2 4.29Å; L316-F575 HydrophobicContact CD2-CG 4.27Å; F412-F575 HydrophobicContact CE1-CE1 4.36Å; I418-F575 HydrophobicContact CG2-CE1 3.95Å; I418-F575 HydrophobicContact CG2-CE2 4.02Å; I418-F575 HydrophobicContact CG2-CZ 3.57Å; L422-F575 HydrophobicContact CD1-CE2 4.1Å; L422-F575 HydrophobicContact CD1-CZ 4.1Å; L422-F575 HydrophobicContact CD2-CE2 4.24Å; I571-F575 HydrophobicContact CG2-CE2 4.46Å; R572-F575 PolarHBondContact O-N 3.47Å; F575-S577 VanDerWaalsContact C-N 3.28Å; F575-S577 PolarHBondContact O-N 2.81Å; F575-N578 WeakPolarHBondContact O-CB 3.26Å; F575-N578 PolarHBondContact O-N 2.69Å; F575-N578 VanDerWaalsContact O-N 3.13Å; F575-F579 VanDerWaalsContact O-CD2 3.23Å; F575-F579 WeakPolarHBondContact O-CD2 3.19Å; F575-F579 PolarHBondContact O-N 3.15Å |
| 576 | L | 86.9 | Confident | 86.6 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62 | -36 | 176.9 | -173 | 65.4 | 0 | 0 | 0 | 112.4 | L264 L318 R572 T580 V669 F670 L673 | L264-L576 HydrophobicContact CD1-CD2 3.96Å; L264-L576 HydrophobicContact CD2-CD2 3.79Å; L264-L576 HydrophobicContact CG-CD2 4.31Å; L318-L576 HydrophobicContact CB-CD1 4.39Å; L318-L576 VanDerWaalsContact O-CD1 3.32Å; L318-L576 WeakPolarHBondContact O-CD1 3.41Å; R572-L576 WeakPolarHBondContact O-CB 3.21Å; R572-L576 PolarHBondContact O-N 3.19Å; R572-L576 VanDerWaalsContact O-N 3.1Å; L576-T580 WeakPolarHBondContact O-CB 3.42Å; L576-T580 PolarHBondContact O-N 3.18Å; L576-T580 PolarHBondContact O-OG1 3.43Å; L576-V669 HydrophobicContact CD2-CG1 3.88Å; L576-F670 HydrophobicContact CD1-CD2 3.75Å; L576-F670 HydrophobicContact CD1-CE2 4.49Å; L576-L673 HydrophobicContact CD2-CD1 3.51Å; L576-L673 HydrophobicContact CG-CD1 3.72Å |
| 577 | S | 84.2 | Confident | 86.6 | Confident | 61 Ų | 61 | 23.3 Ų | 23.3 | 43% | 0.427 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -67.2 | -39.2 | 174.3 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | N573 L574 F575 T580 M581 | N573-S577 VanDerWaalsContact O-CB 3.26Å; N573-S577 WeakPolarHBondContact O-CB 3.24Å; N573-S577 PolarHBondContact O-N 2.86Å; N573-S577 PolarHBondContact O-OG 3.23Å; L574-S577 PolarHBondContact O-N 3.21Å; F575-S577 VanDerWaalsContact C-N 3.28Å; F575-S577 PolarHBondContact O-N 2.81Å; S577-T580 WeakPolarHBondContact O-CB 3.26Å; S577-T580 PolarHBondContact O-N 3.3Å; S577-M581 PolarHBondContact O-N 2.93Å |
| 578 | N | 91.5 | Very high | 86.5 | Confident | 10 Ų | 10 | 28.2 Ų | 28.2 | 5% | 0.053 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.7 | -49.9 | 173.9 | -173.6 | 44.7 | 0 | 0 | 0 | 111.7 | F412 P413 N414 I418 L574 F575 T580 M581 I582 | F412-N578 WeakPolarHBondContact CE1-ND2 3.18Å; F412-N578 WeakPolarHBondContact CZ-ND2 3.47Å; P413-N578 PolarHBondContact O-ND2 3.48Å; N414-N578 PolarHBondContact ND2-OD1 2.88Å; I418-N578 HydrophobicContact CD1-CB 3.87Å; I418-N578 WeakPolarHBondContact CD1-ND2 3.03Å; L574-N578 PolarHBondContact O-N 2.88Å; L574-N578 VanDerWaalsContact O-N 3.09Å; F575-N578 WeakPolarHBondContact O-CB 3.26Å; F575-N578 PolarHBondContact O-N 2.69Å; F575-N578 VanDerWaalsContact O-N 3.13Å; N578-T580 VanDerWaalsContact C-N 3.25Å; N578-T580 PolarHBondContact O-N 3.34Å; N578-M581 WeakPolarHBondContact O-CB 3.23Å; N578-M581 PolarHBondContact O-N 3.04Å; N578-I582 WeakPolarHBondContact ND2-CD1 3.46Å; N578-I582 WeakPolarHBondContact O-CG1 3.32Å; N578-I582 PolarHBondContact O-N 3.01Å |
| 579 | F | 90.9 | Very high | 86.4 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.4 | -34.5 | 175.7 | -66.3 | -56.3 | 0 | 0 | 0 | 112.4 | F287 L291 L318 F320 F412 F575 M581 I582 F583 F670 | F287-F579 HydrophobicContact CE1-CZ 4.07Å; F287-F579 HydrophobicContact CZ-CE2 4.18Å; F287-F579 AromaticContact CZ-CZ 3.97Å; F287-F579 HydrophobicContact CZ-CZ 3.97Å; L291-F579 HydrophobicContact CD1-CE1 4.28Å; L291-F579 HydrophobicContact CD1-CZ 4.01Å; L291-F579 HydrophobicContact CD2-CE1 4.28Å; L291-F579 HydrophobicContact CD2-CZ 3.91Å; L318-F579 VanDerWaalsContact O-CD2 3.26Å; L318-F579 WeakPolarHBondContact O-CD2 3.45Å; F320-F579 HydrophobicContact CD2-CE1 4.43Å; F320-F579 HydrophobicContact CD2-CZ 4.5Å; F320-F579 AromaticContact CE2-CD1 3.88Å; F320-F579 HydrophobicContact CE2-CD1 3.88Å; F320-F579 HydrophobicContact CE2-CE1 4.07Å; F320-F579 HydrophobicContact CE2-CG 4.19Å; F412-F579 HydrophobicContact CE2-CE1 4.15Å; F412-F579 HydrophobicContact CE2-CZ 4.47Å; F412-F579 HydrophobicContact CZ-CE1 4.02Å; F412-F579 HydrophobicContact CZ-CZ 4.12Å; F575-F579 VanDerWaalsContact O-CD2 3.23Å; F575-F579 WeakPolarHBondContact O-CD2 3.19Å; F575-F579 PolarHBondContact O-N 3.15Å; F579-M581 VanDerWaalsContact C-N 3.27Å; F579-M581 PolarHBondContact O-N 2.89Å; F579-I582 HydrophobicContact CD1-CD1 4.34Å; F579-I582 PolarHBondContact O-N 3.05Å; F579-F583 HydrophobicContact CD1-CE2 4.26Å; F579-F583 WeakPolarHBondContact O-CD2 3.35Å; F579-F583 PolarHBondContact O-N 3.43Å; F579-F670 HydrophobicContact CB-CE2 3.96Å; F579-F670 HydrophobicContact CB-CZ 4.46Å |
| 580 | T | 86 | Confident | 86.3 | Confident | 7 Ų | 7 | 29.4 Ų | 29.4 | 4% | 0.043 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.5 | -35.3 | 175.3 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | L576 S577 N578 Q584 L673 L674 | L576-T580 WeakPolarHBondContact O-CB 3.42Å; L576-T580 PolarHBondContact O-N 3.18Å; L576-T580 PolarHBondContact O-OG1 3.43Å; S577-T580 WeakPolarHBondContact O-CB 3.26Å; S577-T580 PolarHBondContact O-N 3.3Å; N578-T580 VanDerWaalsContact C-N 3.25Å; N578-T580 PolarHBondContact O-N 3.34Å; T580-Q584 WeakPolarHBondContact O-CA 3.12Å; T580-Q584 PolarHBondContact O-N 2.98Å; T580-L673 HydrophobicContact CG2-CB 3.86Å; T580-L674 HydrophobicContact CG2-CD2 3.95Å; T580-L674 HydrophobicContact CG2-CG 4.16Å; T580-L674 WeakPolarHBondContact O-CD2 3.43Å |
| 581 | M | 85.4 | Confident | 85.9 | Confident | 82 Ų | 82 | 32.4 Ų | 32.4 | 40% | 0.404 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -74 | -46.9 | 176.6 | -169.7 | 170.9 | 72.8 | 0 | 0 | 112 | N414 S577 N578 F579 F583 Q584 L700 | N414-M581 VanDerWaalsContact ND2-CE 3.25Å; N414-M581 WeakPolarHBondContact ND2-CE 3.41Å; S577-M581 PolarHBondContact O-N 2.93Å; N578-M581 WeakPolarHBondContact O-CB 3.23Å; N578-M581 PolarHBondContact O-N 3.04Å; F579-M581 VanDerWaalsContact C-N 3.27Å; F579-M581 PolarHBondContact O-N 2.89Å; M581-F583 PolarHBondContact O-N 3.02Å; M581-Q584 PolarHBondContact O-N 2.95Å; M581-L700 HydrophobicContact SD-CD1 3.95Å |
| 582 | I | 88.7 | Confident | 84.6 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 180 | -65.4 | 160.1 | 0 | 0 | 0 | 111.4 | P413 N578 F579 Q621 L629 | P413-I582 HydrophobicContact CB-CD1 3.69Å; P413-I582 HydrophobicContact CB-CG1 4.12Å; P413-I582 HydrophobicContact CG-CD1 4.42Å; N578-I582 WeakPolarHBondContact ND2-CD1 3.46Å; N578-I582 WeakPolarHBondContact O-CG1 3.32Å; N578-I582 PolarHBondContact O-N 3.01Å; F579-I582 HydrophobicContact CD1-CD1 4.34Å; F579-I582 PolarHBondContact O-N 3.05Å; I582-Q621 PolarHBondContact O-NE2 3.44Å; I582-L629 HydrophobicContact CG2-CD1 4.42Å; I582-L629 HydrophobicContact CG2-CD2 3.93Å |
| 583 | F | 88.2 | Confident | 83 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 23.5 | -177.1 | -63.1 | -76.9 | 0 | 0 | 0 | 112.8 | F320 F579 M581 D585 Y586 F617 L629 F632 L633 F638 F670 | F320-F583 HydrophobicContact CE2-CE2 4.04Å; F320-F583 HydrophobicContact CZ-CD2 4.14Å; F320-F583 AromaticContact CZ-CE2 3.7Å; F320-F583 HydrophobicContact CZ-CE2 3.7Å; F320-F583 HydrophobicContact CZ-CZ 4.14Å; F579-F583 HydrophobicContact CD1-CE2 4.26Å; F579-F583 WeakPolarHBondContact O-CD2 3.35Å; F579-F583 PolarHBondContact O-N 3.43Å; M581-F583 PolarHBondContact O-N 3.02Å; F583-D585 PolarHBondContact O-N 3Å; F583-D585 VanDerWaalsContact O-N 3.08Å; F583-Y586 HydrophobicContact CB-CD1 4.31Å; F583-Y586 VanDerWaalsContact O-CD1 3.31Å; F583-Y586 WeakPolarHBondContact O-CD1 3.04Å; F583-Y586 PolarHBondContact O-N 2.96Å; F583-F617 HydrophobicContact CD1-CE1 4.27Å; F583-F617 HydrophobicContact CD1-CE2 4.31Å; F583-F617 AromaticContact CD1-CZ 3.61Å; F583-F617 HydrophobicContact CD1-CZ 3.61Å; F583-F617 HydrophobicContact CE1-CE1 4.03Å; F583-F617 AromaticContact CE1-CZ 3.82Å; F583-F617 HydrophobicContact CE1-CZ 3.82Å; F583-L629 HydrophobicContact CE1-CD2 4.43Å; F583-L629 HydrophobicContact CZ-CD2 4.05Å; F583-F632 HydrophobicContact CE2-CE1 4.22Å; F583-F632 AromaticContact CZ-CD1 3.9Å; F583-F632 HydrophobicContact CZ-CD1 3.9Å; F583-F632 AromaticContact CZ-CE1 3.63Å; F583-F632 HydrophobicContact CZ-CE1 3.63Å; F583-L633 HydrophobicContact CE1-CD2 4.26Å; F583-F638 HydrophobicContact CD1-CE2 4.4Å; F583-F638 HydrophobicContact CE1-CD2 4.46Å; F583-F638 AromaticContact CE1-CE2 3.9Å; F583-F638 HydrophobicContact CE1-CE2 3.9Å; F583-F670 HydrophobicContact CB-CZ 4.2Å |
| 584 | Q | 83.3 | Confident | 81.1 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -40.4 | -173.2 | -172.3 | 175.9 | 44.5 | 0 | 0 | 113.2 | T580 M581 S677 R678 | T580-Q584 WeakPolarHBondContact O-CA 3.12Å; T580-Q584 PolarHBondContact O-N 2.98Å; M581-Q584 PolarHBondContact O-N 2.95Å; Q584-S677 PolarHBondContact NE2-O 3.47Å; Q584-S677 PolarHBondContact NE2-OG 2.99Å; Q584-R678 HydrophobicContact CG-CG 4Å; Q584-R678 VanDerWaalsContact O-CZ 3.22Å; Q584-R678 PolarHBondContact O-NE 2.86Å; Q584-R678 PolarHBondContact O-NH2 3.2Å |
| 585 | D | 81.3 | Confident | 78.5 | Confident | 54 Ų | 54 | 54 Ų | 54 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 13.1 | -170.6 | -66.6 | -51.9 | 0 | 0 | 0 | 113.6 | F583 E587 N588 Y589 R678 R681 | F583-D585 PolarHBondContact O-N 3Å; F583-D585 VanDerWaalsContact O-N 3.08Å; D585-E587 PolarHBondContact O-N 3.42Å; D585-N588 WeakPolarHBondContact O-CB 3.2Å; D585-N588 PolarHBondContact O-N 2.88Å; D585-N588 VanDerWaalsContact O-N 3.1Å; D585-N588 PolarHBondContact O-ND2 3.28Å; D585-Y589 WeakPolarHBondContact O-CE2 3.37Å; D585-R678 IonicContact OD1-NE 3.42Å; D585-R681 IonicContact OD2-NH1 3.46Å; D585-R681 PolarHBondContact OD2-NH1 3.13Å |
| 586 | Y | 87.1 | Confident | 75.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -55.8 | -29.3 | -173.5 | 91.4 | -85.6 | 0 | 0 | 0 | 115 | F583 N588 Y589 L590 F612 F641 L642 R645 F670 H671 L674 | F583-Y586 HydrophobicContact CB-CD1 4.31Å; F583-Y586 VanDerWaalsContact O-CD1 3.31Å; F583-Y586 WeakPolarHBondContact O-CD1 3.04Å; F583-Y586 PolarHBondContact O-N 2.96Å; Y586-N588 PolarHBondContact O-N 2.98Å; Y586-Y589 PolarHBondContact O-N 2.7Å; Y586-L590 HydrophobicContact CE2-CD1 4.47Å; Y586-F612 HydrophobicContact CD2-CE2 4.36Å; Y586-F641 HydrophobicContact CD2-CE1 4.19Å; Y586-F641 HydrophobicContact CE1-CE1 4.34Å; Y586-F641 HydrophobicContact CE1-CZ 4.04Å; Y586-F641 AromaticContact CE2-CE1 3.64Å; Y586-F641 HydrophobicContact CE2-CE1 3.64Å; Y586-F641 HydrophobicContact CE2-CZ 4.08Å; Y586-F641 AromaticContact CZ-CE1 3.71Å; Y586-F641 AromaticContact CZ-CZ 3.62Å; Y586-F641 WeakPolarHBondContact OH-CZ 3.41Å; Y586-L642 HydrophobicContact CD2-CD2 4.37Å; Y586-L642 HydrophobicContact CE2-CD2 4.26Å; Y586-R645 HydrophobicContact CE2-CG 4.29Å; Y586-R645 VanDerWaalsContact OH-CD 3.31Å; Y586-R645 WeakPolarHBondContact OH-CD 3.19Å; Y586-R645 WeakPolarHBondContact OH-CG 3.38Å; Y586-F670 HydrophobicContact CE1-CE1 4.48Å; Y586-H671 PolarHBondContact OH-CE1 3.48Å; Y586-H671 PolarHBondContact OH-NE2 2.96Å; Y586-L674 HydrophobicContact CD1-CD1 4.37Å; Y586-L674 HydrophobicContact CE1-CD1 3.84Å |
| 587 | E | 80.9 | Confident | 73.3 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 19% | 0.192 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -67 | -19.7 | -177.6 | -63.7 | 176.5 | 132.1 | 0 | 0 | 113.2 | D585 Y589 L590 R645 H671 R678 | D585-E587 PolarHBondContact O-N 3.42Å; E587-Y589 PolarHBondContact O-N 3.24Å; E587-L590 HydrophobicContact CB-CD1 4.23Å; E587-L590 HydrophobicContact CG-CD1 4.36Å; E587-L590 PolarHBondContact O-N 2.94Å; E587-R645 IonicContact OE1-CZ 3.1Å; E587-R645 IonicContact OE1-NE 3.04Å; E587-R645 PolarHBondContact OE1-NE 2.84Å; E587-R645 IonicContact OE1-NH1 3.2Å; E587-R645 IonicContact OE1-NH2 3.93Å; E587-R645 PolarHBondContact OE1-NH2 2.9Å; E587-H671 IonicContact OE1-CE1 2.77Å; E587-H671 PolarHBondContact OE1-CE1 2.85Å; E587-H671 IonicContact OE1-ND1 2.69Å; E587-H671 PolarHBondContact OE1-ND1 3.42Å; E587-R678 IonicContact OE2-CZ 3.55Å; E587-R678 IonicContact OE2-NH1 2.7Å; E587-R678 PolarHBondContact OE2-NH1 2.73Å; E587-R678 IonicContact OE2-NH2 3.48Å; E587-R678 PolarHBondContact OE2-NH2 2.9Å |
| 588 | N | 83.3 | Confident | 70.9 | Confident | 116 Ų | 116 | 71.6 Ų | 71.6 | 62% | 0.62 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -69 | -21.1 | 177.5 | -62.3 | -31.1 | 0 | 0 | 0 | 112.6 | D585 Y586 | D585-N588 WeakPolarHBondContact O-CB 3.2Å; D585-N588 PolarHBondContact O-N 2.88Å; D585-N588 VanDerWaalsContact O-N 3.1Å; D585-N588 PolarHBondContact O-ND2 3.28Å; Y586-N588 PolarHBondContact O-N 2.98Å |
| 589 | Y | 86.2 | Confident | 68.2 | Low | 37 Ų | 37 | 76.4 Ų | 76.4 | 15% | 0.145 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -102.1 | 9.1 | -175.4 | -47.9 | -87.3 | 0 | 0 | 0 | 112.2 | D585 Y586 E587 I591 F612 D613 G616 F617 D620 | D585-Y589 WeakPolarHBondContact O-CE2 3.37Å; Y586-Y589 PolarHBondContact O-N 2.7Å; E587-Y589 PolarHBondContact O-N 3.24Å; Y589-I591 PolarHBondContact O-N 2.81Å; Y589-F612 WeakPolarHBondContact O-CA 3.43Å; Y589-D613 PolarHBondContact O-N 2.86Å; Y589-G616 VanDerWaalsContact CD1-C 3.44Å; Y589-G616 WeakPolarHBondContact CE1-O 3.37Å; Y589-F617 HydrophobicContact CD1-CB 4.14Å; Y589-F617 VanDerWaalsContact CD1-N 3.34Å; Y589-F617 HydrophobicContact CD2-CB 4.07Å; Y589-F617 AromaticContact CD2-CD2 3.68Å; Y589-F617 HydrophobicContact CD2-CD2 3.68Å; Y589-F617 HydrophobicContact CD2-CG 4.36Å; Y589-F617 HydrophobicContact CE2-CB 4.49Å; Y589-F617 AromaticContact CE2-CD2 3.78Å; Y589-F617 HydrophobicContact CE2-CD2 3.78Å; Y589-F617 HydrophobicContact CG-CB 3.88Å; Y589-F617 HydrophobicContact CG-CD2 4.36Å; Y589-D620 WeakPolarHBondContact OH-CB 3.49Å; Y589-D620 PolarHBondContact OH-OD2 2.89Å |
| 590 | L | 81.9 | Confident | 65.6 | Low | 28 Ų | 28 | 82.3 Ų | 82.3 | 15% | 0.147 | 43% | 0.428 | C | S | . | . | B | Isolated β-bridge | trans | -77.7 | 116.9 | 174.4 | -70.2 | 170.1 | 0 | 0 | 0 | 110.8 | Y586 E587 L592 F612 L642 R645 | Y586-L590 HydrophobicContact CE2-CD1 4.47Å; E587-L590 HydrophobicContact CB-CD1 4.23Å; E587-L590 HydrophobicContact CG-CD1 4.36Å; E587-L590 PolarHBondContact O-N 2.94Å; L590-L592 VanDerWaalsContact C-N 3.31Å; L590-L592 HydrophobicContact CB-CG 4.26Å; L590-L592 PolarHBondContact O-N 3.35Å; L590-F612 HydrophobicContact CD2-CD2 4.21Å; L590-L642 HydrophobicContact CD2-CD2 3.89Å; L590-R645 HydrophobicContact CD1-CG 4.21Å |
| 591 | I | 74.7 | Confident | 63.2 | Low | 96 Ų | 96 | 89.1 Ų | 89.1 | 49% | 0.492 | 46% | 0.464 | S | S | . | . | trans | -80.6 | 79.5 | 179.3 | -51.6 | 177 | 0 | 0 | 0 | 108.8 | Y589 G611 D613 | Y589-I591 PolarHBondContact O-N 2.81Å; I591-G611 PolarHBondContact N-O 3.43Å; I591-D613 HydrophobicContact CD1-CB 4.37Å; I591-D613 HydrophobicContact CG1-CB 4.46Å | ||
| 592 | L | 64.4 | Low | 61.1 | Low | 63 Ų | 63 | 92.2 Ų | 92.2 | 33% | 0.33 | 48% | 0.48 | S | S | . | . | trans | -92.3 | 123.2 | 175.9 | -63.6 | 174.4 | 0 | 0 | 0 | 110.6 | L590 R594 | L590-L592 VanDerWaalsContact C-N 3.31Å; L590-L592 HydrophobicContact CB-CG 4.26Å; L590-L592 PolarHBondContact O-N 3.35Å; L592-R594 PolarHBondContact O-N 3.09Å | ||
| 593 | D | 53.4 | Low | 58.8 | Low | 140 Ų | 140 | 95 Ų | 95 | 75% | 0.749 | 51% | 0.511 | S | S | * | . | trans | -66.5 | 101.5 | -176.5 | -137.4 | -28.4 | 0 | 0 | 0 | 111.1 | N595 | D593-N595 PolarHBondContact O-N 3.24Å; D593-N595 PolarHBondContact OD1-ND2 3.15Å | ||
| 594 | R | 43.4 | Very low | 56.4 | Low | 239 Ų | 239 | 102.3 Ų | 102.3 | 90% | 0.902 | 55% | 0.55 | S | S | * | * | trans | -78.4 | 2.8 | -172.3 | -78.6 | -171.3 | 174.1 | -164.8 | 0.7 | 114.6 | L592 G596 | L592-R594 PolarHBondContact O-N 3.09Å; R594-G596 PolarHBondContact O-N 2.9Å; R594-G596 VanDerWaalsContact O-N 3.08Å | ||
| 595 | N | 35.8 | Very low | 54.8 | Low | 130 Ų | 130 | 106 Ų | 106 | 70% | 0.695 | 57% | 0.57 | S | S | * | * | trans | -79.2 | 93.6 | -176.2 | -71.5 | -48.2 | 0 | 0 | 0 | 111.2 | D593 Q597 | D593-N595 PolarHBondContact O-N 3.24Å; D593-N595 PolarHBondContact OD1-ND2 3.15Å; N595-Q597 PolarHBondContact O-N 3.42Å | ||
| 596 | G | 37.6 | Very low | 53.2 | Low | 86 Ų | 86 | 105.6 Ų | 105.6 | 89% | 0.887 | 57% | 0.57 | S | S | * | * | trans | -68.8 | 56.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R594 | R594-G596 PolarHBondContact O-N 2.9Å; R594-G596 VanDerWaalsContact O-N 3.08Å | ||
| 597 | Q | 30.8 | Very low | 51.5 | Low | 181 Ų | 181 | 110.1 Ų | 110.1 | 85% | 0.846 | 60% | 0.601 | S | S | * | * | trans | -105.9 | 145.3 | 165.6 | -63.3 | -166.7 | 6 | 0 | 0 | 109.8 | N595 | N595-Q597 PolarHBondContact O-N 3.42Š| ||
| 598 | K | 34 | Very low | 50.6 | Low | 167 Ų | 167 | 108.7 Ų | 108.7 | 73% | 0.726 | 60% | 0.597 | S | S | * | * | trans | -35.4 | 140.8 | -163.7 | -63.5 | -178.5 | 173.3 | -172.8 | 0 | 117.2 | D600 | K598-D600 WeakPolarHBondContact CB-OD2 3.24Å; K598-D600 VanDerWaalsContact CD-OD2 3.24Å; K598-D600 WeakPolarHBondContact CD-OD2 3.29Å; K598-D600 PolarHBondContact O-N 3.01Å | ||
| 599 | P | 36.1 | Very low | 49.9 | Very low | 112 Ų | 112 | 106.6 Ų | 106.6 | 73% | 0.727 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -77.9 | 44 | 178.4 | 37.1 | -38.6 | 0 | 0 | 0 | 113.4 | N601 | P599-N601 VanDerWaalsContact C-N 3.27Å; P599-N601 PolarHBondContact O-N 2.65Å |
| 600 | D | 34.8 | Very low | 49 | Very low | 125 Ų | 125 | 112.5 Ų | 112.5 | 67% | 0.668 | 61% | 0.614 | S | S | * | * | trans | -84.3 | 0.1 | -179.8 | -61.6 | -31.8 | 0 | 0 | 0 | 112.4 | K598 | K598-D600 WeakPolarHBondContact CB-OD2 3.24Å; K598-D600 VanDerWaalsContact CD-OD2 3.24Å; K598-D600 WeakPolarHBondContact CD-OD2 3.29Å; K598-D600 PolarHBondContact O-N 3.01Å | ||
| 601 | N | 36.1 | Very low | 48.5 | Very low | 149 Ų | 149 | 111.3 Ų | 111.3 | 80% | 0.797 | 61% | 0.609 | S | S | * | * | trans | -136.4 | 83.9 | 177.7 | -96.6 | -31 | 0 | 0 | 0 | 111.5 | P599 G603 | P599-N601 VanDerWaalsContact C-N 3.27Å; P599-N601 PolarHBondContact O-N 2.65Å; N601-G603 PolarHBondContact O-N 2.91Å | ||
| 602 | I | 42.2 | Very low | 49.1 | Very low | 147 Ų | 147 | 107.2 Ų | 107.2 | 75% | 0.754 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -8 | 179.9 | -69 | 170.1 | 0 | 0 | 0 | 112.9 | ||
| 603 | G | 40 | Very low | 50.2 | Low | 66 Ų | 66 | 107.4 Ų | 107.4 | 68% | 0.68 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -20.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | N601 | N601-G603 PolarHBondContact O-N 2.91Š|
| 604 | N | 38.1 | Very low | 51.8 | Low | 154 Ų | 154 | 103.2 Ų | 103.2 | 82% | 0.824 | 56% | 0.564 | S | S | * | * | trans | -121 | 53.3 | -168.6 | -74.6 | 14.7 | 0 | 0 | 0 | 113.3 | ||||
| 605 | I | 49.1 | Very low | 53.9 | Low | 96 Ų | 96 | 97.3 Ų | 97.3 | 49% | 0.492 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -95 | 134 | 161.7 | -58.7 | 177.8 | 0 | 0 | 0 | 107.5 | C607 I646 | I605-C607 PolarHBondContact O-N 2.97Å; I605-I646 HydrophobicContact CG2-CG2 4.31Å |
| 606 | S | 47.3 | Very low | 56.3 | Low | 44 Ų | 44 | 91.8 Ų | 91.8 | 31% | 0.308 | 53% | 0.528 | S | S | . | . | trans | -64.8 | 98.8 | 179.6 | 34.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 607 | C | 51.5 | Low | 58.8 | Low | 95 Ų | 95 | 87.8 Ų | 87.8 | 64% | 0.642 | 49% | 0.486 | S | S | * | . | trans | -79.5 | 155.7 | 172.7 | 57.5 | 0 | 0 | 0 | 0 | 112.5 | I605 D643 | I605-C607 PolarHBondContact O-N 2.97Å; C607-D643 WeakPolarHBondContact CA-OD1 3.34Å; C607-D643 WeakPolarHBondContact CB-OD1 3.22Å | ||
| 608 | G | 63.3 | Low | 61.6 | Low | 11 Ų | 11 | 80.6 Ų | 80.6 | 11% | 0.113 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | 63.3 | -151.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | H610 G611 D643 | G608-H610 PolarHBondContact O-N 3.07Å; G608-G611 PolarHBondContact O-N 3.04Å; G608-G611 VanDerWaalsContact O-N 3.11Å; G608-D643 PolarHBondContact N-OD1 2.9Å |
| 609 | L | 66.7 | Low | 64.2 | Low | 72 Ų | 72 | 76.7 Ų | 76.7 | 38% | 0.377 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -60.7 | -20.5 | -171.5 | -58.6 | 177.4 | 0 | 0 | 0 | 114.4 | G611 F612 L633 F638 A639 L642 | L609-G611 PolarHBondContact O-N 3.46Å; L609-F612 PolarHBondContact O-N 3.09Å; L609-L633 VanDerWaalsContact CD2-O 3.27Å; L609-L633 WeakPolarHBondContact CD2-O 3.41Å; L609-F638 HydrophobicContact CD2-CD1 3.82Å; L609-F638 HydrophobicContact CD2-CE1 4.3Å; L609-A639 HydrophobicContact CD2-CB 4.08Å; L609-A639 HydrophobicContact CG-CB 4.18Å; L609-L642 HydrophobicContact CD2-CD1 4.29Å |
| 610 | H | 68.7 | Low | 66.7 | Low | 161 Ų | 161 | 76.5 Ų | 76.5 | 75% | 0.745 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -71.9 | -9.9 | 178.7 | -136.9 | 77.6 | 0 | 0 | 0 | 113.5 | G608 | G608-H610 PolarHBondContact O-N 3.07Š|
| 611 | G | 71.7 | Confident | 69.1 | Low | 3 Ų | 3 | 72.3 Ų | 72.3 | 3% | 0.031 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -92.6 | 9.3 | 172 | 0 | 0 | 0 | 0 | 0 | 114.7 | I591 G608 L609 | I591-G611 PolarHBondContact N-O 3.43Å; G608-G611 PolarHBondContact O-N 3.04Å; G608-G611 VanDerWaalsContact O-N 3.11Å; L609-G611 PolarHBondContact O-N 3.46Å |
| 612 | F | 85.5 | Confident | 71.6 | Confident | 11 Ų | 11 | 68.2 Ų | 68.2 | 5% | 0.048 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -137.7 | 127.4 | -172.6 | -175.3 | -102.3 | 0 | 0 | 0 | 112.4 | Y586 Y589 L590 L609 K614 F617 L633 F638 L642 | Y586-F612 HydrophobicContact CD2-CE2 4.36Å; Y589-F612 WeakPolarHBondContact O-CA 3.43Å; L590-F612 HydrophobicContact CD2-CD2 4.21Å; L609-F612 PolarHBondContact O-N 3.09Å; F612-K614 VanDerWaalsContact C-N 3.32Å; F612-K614 HydrophobicContact CD1-CB 4.35Å; F612-K614 PolarHBondContact O-N 3Å; F612-F617 HydrophobicContact CE1-CB 3.8Å; F612-F617 HydrophobicContact CE1-CD1 4.15Å; F612-F617 HydrophobicContact CE1-CG 4.01Å; F612-F617 HydrophobicContact CZ-CB 3.61Å; F612-F617 AromaticContact CZ-CD1 3.97Å; F612-F617 HydrophobicContact CZ-CD1 3.97Å; F612-F617 AromaticContact CZ-CD2 3.95Å; F612-F617 HydrophobicContact CZ-CD2 3.95Å; F612-F617 AromaticContact CZ-CG 3.55Å; F612-F617 HydrophobicContact CZ-CG 3.55Å; F612-L633 HydrophobicContact CE1-CD2 4.13Å; F612-F638 AromaticContact CD1-CE1 3.94Å; F612-F638 HydrophobicContact CD1-CE1 3.94Å; F612-F638 HydrophobicContact CD1-CZ 4.2Å; F612-F638 AromaticContact CE1-CE1 3.93Å; F612-F638 HydrophobicContact CE1-CE1 3.93Å; F612-F638 AromaticContact CE1-CZ 3.86Å; F612-F638 HydrophobicContact CE1-CZ 3.86Å; F612-F638 HydrophobicContact CE2-CZ 4.24Å; F612-F638 HydrophobicContact CG-CE1 4.43Å; F612-F638 HydrophobicContact CZ-CE1 4.41Å; F612-F638 AromaticContact CZ-CZ 3.87Å; F612-F638 HydrophobicContact CZ-CZ 3.87Å; F612-L642 HydrophobicContact CB-CD1 3.64Å; F612-L642 HydrophobicContact CD2-CD1 4.35Å; F612-L642 HydrophobicContact CD2-CD2 3.89Å; F612-L642 HydrophobicContact CE2-CD2 4.39Å; F612-L642 HydrophobicContact CG-CD1 3.95Å; F612-L642 HydrophobicContact CG-CD2 4.33Å |
| 613 | D | 87.7 | Confident | 73.7 | Confident | 67 Ų | 67 | 69.4 Ų | 69.4 | 36% | 0.358 | 40% | 0.4 | S | S | . | . | trans | -76.4 | 84 | 173 | -178 | 7.9 | 0 | 0 | 0 | 110.7 | Y589 I591 V615 G616 F617 | Y589-D613 PolarHBondContact O-N 2.86Å; I591-D613 HydrophobicContact CD1-CB 4.37Å; I591-D613 HydrophobicContact CG1-CB 4.46Å; D613-V615 PolarHBondContact O-N 2.84Å; D613-V615 PolarHBondContact OD1-N 2.97Å; D613-G616 VanDerWaalsContact CG-N 3.34Å; D613-G616 PolarHBondContact OD1-N 3.36Å; D613-G616 PolarHBondContact OD2-N 2.87Å; D613-F617 WeakPolarHBondContact O-CB 3.23Å; D613-F617 PolarHBondContact O-N 3.19Å | ||
| 614 | K | 88.1 | Confident | 76 | Confident | 51 Ų | 51 | 71.4 Ų | 71.4 | 22% | 0.222 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -57.3 | -31.4 | 174 | 176.3 | 172.8 | 177.3 | 172.3 | 0 | 112.5 | F612 L618 S630 L633 E634 | F612-K614 VanDerWaalsContact C-N 3.32Å; F612-K614 HydrophobicContact CD1-CB 4.35Å; F612-K614 PolarHBondContact O-N 3Å; K614-L618 HydrophobicContact CD-CD1 4.46Å; K614-L618 HydrophobicContact CG-CD1 3.83Å; K614-L618 HydrophobicContact CG-CG 4.45Å; K614-L618 WeakPolarHBondContact O-CB 3.43Å; K614-L618 VanDerWaalsContact O-CG 3.26Å; K614-L618 WeakPolarHBondContact O-CG 3.46Å; K614-L618 PolarHBondContact O-N 2.79Å; K614-L618 VanDerWaalsContact O-N 3.09Å; K614-S630 PolarHBondContact NZ-O 3.19Å; K614-L633 HydrophobicContact CD-CB 4.16Å; K614-L633 HydrophobicContact CG-CB 4.44Å; K614-L633 HydrophobicContact CG-CD1 4.22Å; K614-E634 IonicContact NZ-OE1 2.94Å; K614-E634 PolarHBondContact NZ-OE1 3.1Å |
| 615 | V | 87.1 | Confident | 78.5 | Confident | 115 Ų | 115 | 64.9 Ų | 64.9 | 70% | 0.697 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -76.8 | -49.5 | -175.5 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | D613 F617 L618 S619 | D613-V615 PolarHBondContact O-N 2.84Å; D613-V615 PolarHBondContact OD1-N 2.97Å; V615-F617 VanDerWaalsContact C-N 3.34Å; V615-F617 PolarHBondContact O-N 2.8Å; V615-L618 PolarHBondContact O-N 3.29Å; V615-S619 PolarHBondContact O-N 3Å |
| 616 | G | 87 | Confident | 80.6 | Confident | 14 Ų | 14 | 63 Ų | 63 | 14% | 0.144 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y589 D613 S619 | Y589-G616 VanDerWaalsContact CD1-C 3.44Å; Y589-G616 WeakPolarHBondContact CE1-O 3.37Å; D613-G616 VanDerWaalsContact CG-N 3.34Å; D613-G616 PolarHBondContact OD1-N 3.36Å; D613-G616 PolarHBondContact OD2-N 2.87Å; G616-S619 PolarHBondContact O-OG 2.79Å |
| 617 | F | 90 | Very high | 82.7 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.009 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.2 | -37.3 | 174.8 | 179.9 | -101.8 | 0 | 0 | 0 | 112.3 | F583 Y589 F612 D613 V615 Q621 L629 L633 | F583-F617 HydrophobicContact CD1-CE1 4.27Å; F583-F617 HydrophobicContact CD1-CE2 4.31Å; F583-F617 AromaticContact CD1-CZ 3.61Å; F583-F617 HydrophobicContact CD1-CZ 3.61Å; F583-F617 HydrophobicContact CE1-CE1 4.03Å; F583-F617 AromaticContact CE1-CZ 3.82Å; F583-F617 HydrophobicContact CE1-CZ 3.82Å; Y589-F617 HydrophobicContact CD1-CB 4.14Å; Y589-F617 VanDerWaalsContact CD1-N 3.34Å; Y589-F617 HydrophobicContact CD2-CB 4.07Å; Y589-F617 AromaticContact CD2-CD2 3.68Å; Y589-F617 HydrophobicContact CD2-CD2 3.68Å; Y589-F617 HydrophobicContact CD2-CG 4.36Å; Y589-F617 HydrophobicContact CE2-CB 4.49Å; Y589-F617 AromaticContact CE2-CD2 3.78Å; Y589-F617 HydrophobicContact CE2-CD2 3.78Å; Y589-F617 HydrophobicContact CG-CB 3.88Å; Y589-F617 HydrophobicContact CG-CD2 4.36Å; F612-F617 HydrophobicContact CE1-CB 3.8Å; F612-F617 HydrophobicContact CE1-CD1 4.15Å; F612-F617 HydrophobicContact CE1-CG 4.01Å; F612-F617 HydrophobicContact CZ-CB 3.61Å; F612-F617 AromaticContact CZ-CD1 3.97Å; F612-F617 HydrophobicContact CZ-CD1 3.97Å; F612-F617 AromaticContact CZ-CD2 3.95Å; F612-F617 HydrophobicContact CZ-CD2 3.95Å; F612-F617 AromaticContact CZ-CG 3.55Å; F612-F617 HydrophobicContact CZ-CG 3.55Å; D613-F617 WeakPolarHBondContact O-CB 3.23Å; D613-F617 PolarHBondContact O-N 3.19Å; V615-F617 VanDerWaalsContact C-N 3.34Å; V615-F617 PolarHBondContact O-N 2.8Å; F617-Q621 HydrophobicContact CE1-CG 4.2Å; F617-Q621 HydrophobicContact CZ-CG 4.27Å; F617-Q621 WeakPolarHBondContact O-CG 3.39Å; F617-L629 HydrophobicContact CE1-CD1 4.31Å; F617-L633 HydrophobicContact CD1-CD1 3.7Å; F617-L633 HydrophobicContact CD1-CD2 4.23Å; F617-L633 HydrophobicContact CE1-CD1 4.03Å; F617-L633 HydrophobicContact CE1-CD2 4.14Å |
| 618 | L | 89.6 | Confident | 84.7 | Confident | 31 Ų | 31 | 60.1 Ų | 60.1 | 16% | 0.162 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -76 | -29.3 | 178.7 | -76.1 | 172.4 | 0 | 0 | 0 | 113.4 | K614 V615 D620 Q621 L626 L629 L633 | K614-L618 HydrophobicContact CD-CD1 4.46Å; K614-L618 HydrophobicContact CG-CD1 3.83Å; K614-L618 HydrophobicContact CG-CG 4.45Å; K614-L618 WeakPolarHBondContact O-CB 3.43Å; K614-L618 VanDerWaalsContact O-CG 3.26Å; K614-L618 WeakPolarHBondContact O-CG 3.46Å; K614-L618 PolarHBondContact O-N 2.79Å; K614-L618 VanDerWaalsContact O-N 3.09Å; V615-L618 PolarHBondContact O-N 3.29Å; L618-D620 PolarHBondContact O-N 3.16Å; L618-Q621 PolarHBondContact O-N 3.32Å; L618-L626 HydrophobicContact CB-CD2 4.48Å; L618-L626 HydrophobicContact CD2-CD2 4.04Å; L618-L626 VanDerWaalsContact O-CD2 3.22Å; L618-L626 WeakPolarHBondContact O-CD2 3.21Å; L618-L629 HydrophobicContact CD2-CB 3.69Å; L618-L633 HydrophobicContact CD1-CD1 4.22Å; L618-L633 HydrophobicContact CD2-CD1 3.74Å; L618-L633 HydrophobicContact CG-CD1 3.83Å |
| 619 | S | 88 | Confident | 86.2 | Confident | 85 Ų | 85 | 59.6 Ų | 59.6 | 59% | 0.594 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.2 | -26.2 | 177.2 | 59.3 | 0 | 0 | 0 | 0 | 113.6 | V615 G616 | V615-S619 PolarHBondContact O-N 3Å; G616-S619 PolarHBondContact O-OG 2.79Å |
| 620 | D | 87.6 | Confident | 87.3 | Confident | 107 Ų | 107 | 58.5 Ų | 58.5 | 57% | 0.572 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 6.8 | -171.8 | -64.4 | 13.6 | 0 | 0 | 0 | 112.3 | Y589 L618 | Y589-D620 WeakPolarHBondContact OH-CB 3.49Å; Y589-D620 PolarHBondContact OH-OD2 2.89Å; L618-D620 PolarHBondContact O-N 3.16Å |
| 621 | Q | 87.2 | Confident | 88.5 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 17% | 0.173 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -101.9 | 150.9 | -179.9 | -71.6 | -76.1 | -21.2 | 0 | 0 | 112.2 | I582 F617 L618 L626 L629 | I582-Q621 PolarHBondContact O-NE2 3.44Å; F617-Q621 HydrophobicContact CE1-CG 4.2Å; F617-Q621 HydrophobicContact CZ-CG 4.27Å; F617-Q621 WeakPolarHBondContact O-CG 3.39Å; L618-Q621 PolarHBondContact O-N 3.32Å; Q621-L626 HydrophobicContact CB-CD2 3.93Å; Q621-L629 HydrophobicContact CB-CD1 4.05Å; Q621-L629 HydrophobicContact CG-CD1 3.74Å |
| 622 | P | 88.4 | Confident | 89.5 | Confident | 64 Ų | 64 | 52.6 Ų | 52.6 | 42% | 0.416 | 31% | 0.306 | S | S | . | . | trans | -58.9 | 141.7 | 175.3 | -23.2 | 34 | 0 | 0 | 0 | 112.6 | T624 H625 L626 | P622-T624 PolarHBondContact O-N 2.74Å; P622-T624 VanDerWaalsContact O-N 3.11Å; P622-H625 WeakPolarHBondContact O-CB 3.49Å; P622-H625 PolarHBondContact O-N 3.47Å; P622-L626 PolarHBondContact O-N 2.81Å | ||
| 623 | E | 86.4 | Confident | 89.9 | Confident | 171 Ų | 171 | 52.1 Ų | 52.1 | 80% | 0.799 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -52.1 | -37.5 | 179.3 | -66.5 | -176.4 | 168 | 0 | 0 | 112.9 | H625 L626 P627 | E623-H625 PolarHBondContact O-N 2.86Å; E623-L626 PolarHBondContact O-N 2.82Å; E623-P627 WeakPolarHBondContact O-CD 3.44Å |
| 624 | T | 88.3 | Confident | 90 | Very high | 108 Ų | 108 | 55.4 Ų | 55.4 | 66% | 0.663 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -61.8 | -22.9 | 176.5 | 51.6 | 0 | 0 | 0 | 0 | 114.2 | P622 | P622-T624 PolarHBondContact O-N 2.74Å; P622-T624 VanDerWaalsContact O-N 3.11Å |
| 625 | H | 90.1 | Very high | 90.2 | Very high | 18 Ų | 18 | 53.3 Ų | 53.3 | 8% | 0.083 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -94.4 | -18.2 | 179.8 | -61.6 | 173.2 | 0 | 0 | 0 | 112.9 | P413 P622 E623 F628 L629 | P413-H625 HydrophobicContact CG-CB 4.17Å; P622-H625 WeakPolarHBondContact O-CB 3.49Å; P622-H625 PolarHBondContact O-N 3.47Å; E623-H625 PolarHBondContact O-N 2.86Å; H625-F628 PolarHBondContact O-N 2.82Å; H625-L629 HydrophobicContact CB-CD1 3.76Å; H625-L629 HydrophobicContact CB-CG 4.22Å; H625-L629 WeakPolarHBondContact O-CB 3.48Å; H625-L629 WeakPolarHBondContact O-CG 3.48Å; H625-L629 PolarHBondContact O-N 3.25Å |
| 626 | L | 91.9 | Very high | 90.4 | Very high | 56 Ų | 56 | 52.4 Ų | 52.4 | 29% | 0.293 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | -172.9 | -56.3 | -179.2 | 0 | 0 | 0 | 114.1 | L618 Q621 P622 E623 F628 L629 S630 | L618-L626 HydrophobicContact CB-CD2 4.48Å; L618-L626 HydrophobicContact CD2-CD2 4.04Å; L618-L626 VanDerWaalsContact O-CD2 3.22Å; L618-L626 WeakPolarHBondContact O-CD2 3.21Å; Q621-L626 HydrophobicContact CB-CD2 3.93Å; P622-L626 PolarHBondContact O-N 2.81Å; E623-L626 PolarHBondContact O-N 2.82Å; L626-F628 VanDerWaalsContact C-N 3.34Å; L626-F628 PolarHBondContact O-N 3.31Å; L626-L629 PolarHBondContact O-N 3.27Å; L626-S630 WeakPolarHBondContact O-CB 3.13Å; L626-S630 PolarHBondContact O-N 3.38Å; L626-S630 PolarHBondContact O-OG 3.46Å |
| 627 | P | 91.4 | Very high | 90.5 | Very high | 76 Ų | 76 | 51.8 Ų | 51.8 | 49% | 0.494 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 177.9 | -25.3 | 36.4 | 0 | 0 | 0 | 112.7 | P410 E623 S630 | P410-P627 HydrophobicContact CB-CB 3.68Å; E623-P627 WeakPolarHBondContact O-CD 3.44Å; P627-S630 PolarHBondContact O-OG 3.4Å |
| 628 | F | 94.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -73.5 | -49.5 | 176.1 | 173.1 | -93.3 | 0 | 0 | 0 | 111.9 | T288 L291 L292 P410 E411 F412 P413 H625 L626 S630 A631 F632 | T288-F628 HydrophobicContact CG2-CD2 4.07Å; T288-F628 HydrophobicContact CG2-CE2 4.17Å; L291-F628 HydrophobicContact CB-CE2 4.01Å; L291-F628 HydrophobicContact CB-CZ 3.96Å; L291-F628 HydrophobicContact CD1-CE2 4.24Å; L291-F628 HydrophobicContact CD1-CZ 3.92Å; L291-F628 HydrophobicContact CG-CZ 4.5Å; L292-F628 HydrophobicContact CD2-CD2 4.19Å; L292-F628 HydrophobicContact CD2-CE2 4.05Å; L292-F628 HydrophobicContact CG-CE2 4.33Å; P410-F628 HydrophobicContact CB-CB 4.2Å; P410-F628 HydrophobicContact CG-CB 4.27Å; E411-F628 WeakPolarHBondContact O-CB 3.4Å; F412-F628 HydrophobicContact CD2-CD2 4.44Å; F412-F628 HydrophobicContact CD2-CE2 4.07Å; F412-F628 HydrophobicContact CD2-CZ 4.13Å; F412-F628 HydrophobicContact CE2-CE1 4.42Å; F412-F628 HydrophobicContact CE2-CE2 4.49Å; F412-F628 HydrophobicContact CE2-CZ 4.11Å; P413-F628 VanDerWaalsContact CD-CD1 3.45Å; P413-F628 HydrophobicContact CG-CB 4.2Å; P413-F628 HydrophobicContact CG-CD1 3.58Å; P413-F628 HydrophobicContact CG-CE1 4.3Å; P413-F628 HydrophobicContact CG-CG 4.06Å; H625-F628 PolarHBondContact O-N 2.82Å; L626-F628 VanDerWaalsContact C-N 3.34Å; L626-F628 PolarHBondContact O-N 3.31Å; F628-S630 PolarHBondContact O-N 2.73Å; F628-A631 PolarHBondContact O-N 2.85Å; F628-F632 HydrophobicContact CD1-CB 4.24Å; F628-F632 HydrophobicContact CE1-CB 3.77Å; F628-F632 HydrophobicContact CE1-CD1 4.38Å; F628-F632 HydrophobicContact CE1-CD2 4.3Å; F628-F632 AromaticContact CE1-CG 3.87Å; F628-F632 HydrophobicContact CE1-CG 3.87Å; F628-F632 HydrophobicContact CE2-CB 4.43Å; F628-F632 HydrophobicContact CZ-CB 3.86Å; F628-F632 AromaticContact CZ-CD2 3.81Å; F628-F632 HydrophobicContact CZ-CD2 3.81Å; F628-F632 AromaticContact CZ-CG 3.85Å; F628-F632 HydrophobicContact CZ-CG 3.85Å; F628-F632 VanDerWaalsContact O-CB 3.28Å; F628-F632 WeakPolarHBondContact O-CB 3.19Å; F628-F632 PolarHBondContact O-N 3.37Å |
| 629 | L | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.5 | -37.3 | -175.5 | -70.5 | 177.5 | 0 | 0 | 0 | 112.3 | I582 F583 F617 L618 Q621 H625 L626 A631 F632 L633 | I582-L629 HydrophobicContact CG2-CD1 4.42Å; I582-L629 HydrophobicContact CG2-CD2 3.93Å; F583-L629 HydrophobicContact CE1-CD2 4.43Å; F583-L629 HydrophobicContact CZ-CD2 4.05Å; F617-L629 HydrophobicContact CE1-CD1 4.31Å; L618-L629 HydrophobicContact CD2-CB 3.69Å; Q621-L629 HydrophobicContact CB-CD1 4.05Å; Q621-L629 HydrophobicContact CG-CD1 3.74Å; H625-L629 HydrophobicContact CB-CD1 3.76Å; H625-L629 HydrophobicContact CB-CG 4.22Å; H625-L629 WeakPolarHBondContact O-CB 3.48Å; H625-L629 WeakPolarHBondContact O-CG 3.48Å; H625-L629 PolarHBondContact O-N 3.25Å; L626-L629 PolarHBondContact O-N 3.27Å; L629-A631 VanDerWaalsContact C-N 3.28Å; L629-A631 PolarHBondContact O-N 2.92Å; L629-F632 PolarHBondContact O-N 2.88Å; L629-L633 HydrophobicContact CB-CD1 4.29Å; L629-L633 VanDerWaalsContact O-CB 3.27Å; L629-L633 WeakPolarHBondContact O-CB 3.32Å; L629-L633 VanDerWaalsContact O-CD1 3.3Å; L629-L633 WeakPolarHBondContact O-CD1 3.39Å; L629-L633 WeakPolarHBondContact O-CG 3.42Å; L629-L633 PolarHBondContact O-N 2.84Å |
| 630 | S | 91.8 | Very high | 90.5 | Very high | 49 Ų | 49 | 48 Ų | 48 | 34% | 0.343 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59 | -39 | 178.3 | 58.1 | 0 | 0 | 0 | 0 | 112.5 | K614 L626 P627 F628 | K614-S630 PolarHBondContact NZ-O 3.19Å; L626-S630 WeakPolarHBondContact O-CB 3.13Å; L626-S630 PolarHBondContact O-N 3.38Å; L626-S630 PolarHBondContact O-OG 3.46Å; P627-S630 PolarHBondContact O-OG 3.4Å; F628-S630 PolarHBondContact O-N 2.73Å |
| 631 | A | 91.8 | Very high | 90.6 | Very high | 41 Ų | 41 | 43.4 Ų | 43.4 | 34% | 0.339 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -79.7 | -46 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L292 F628 L629 L633 E634 | L292-A631 HydrophobicContact CD2-CB 3.8Å; F628-A631 PolarHBondContact O-N 2.85Å; L629-A631 VanDerWaalsContact C-N 3.28Å; L629-A631 PolarHBondContact O-N 2.92Å; A631-L633 VanDerWaalsContact C-N 3.27Å; A631-L633 PolarHBondContact O-N 3.01Å; A631-E634 PolarHBondContact O-N 3.3Å |
| 632 | F | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.6 | -36.6 | -178.3 | 179.7 | -100.9 | 0 | 0 | 0 | 113 | L291 L292 F320 F583 F628 L629 E634 T635 F638 | L291-F632 HydrophobicContact CB-CD2 4.14Å; L291-F632 HydrophobicContact CB-CE2 4.21Å; L291-F632 HydrophobicContact CD2-CD2 4.5Å; L291-F632 HydrophobicContact CD2-CE2 3.8Å; L291-F632 HydrophobicContact CD2-CZ 4.49Å; L291-F632 VanDerWaalsContact O-CD2 3.27Å; L291-F632 WeakPolarHBondContact O-CD2 3.34Å; L292-F632 HydrophobicContact CD2-CB 4.22Å; F320-F632 AromaticContact CD1-CZ 3.99Å; F320-F632 HydrophobicContact CD1-CZ 3.99Å; F320-F632 AromaticContact CD2-CZ 3.83Å; F320-F632 HydrophobicContact CD2-CZ 3.83Å; F320-F632 HydrophobicContact CE1-CE1 4.07Å; F320-F632 AromaticContact CE1-CZ 3.84Å; F320-F632 HydrophobicContact CE1-CZ 3.84Å; F320-F632 HydrophobicContact CE2-CE1 4.09Å; F320-F632 AromaticContact CE2-CZ 3.67Å; F320-F632 HydrophobicContact CE2-CZ 3.67Å; F320-F632 AromaticContact CG-CZ 4Å; F320-F632 HydrophobicContact CG-CZ 4Å; F320-F632 AromaticContact CZ-CE1 3.76Å; F320-F632 HydrophobicContact CZ-CE1 3.76Å; F320-F632 AromaticContact CZ-CZ 3.68Å; F320-F632 HydrophobicContact CZ-CZ 3.68Å; F583-F632 HydrophobicContact CE2-CE1 4.22Å; F583-F632 AromaticContact CZ-CD1 3.9Å; F583-F632 HydrophobicContact CZ-CD1 3.9Å; F583-F632 AromaticContact CZ-CE1 3.63Å; F583-F632 HydrophobicContact CZ-CE1 3.63Å; F628-F632 HydrophobicContact CD1-CB 4.24Å; F628-F632 HydrophobicContact CE1-CB 3.77Å; F628-F632 HydrophobicContact CE1-CD1 4.38Å; F628-F632 HydrophobicContact CE1-CD2 4.3Å; F628-F632 AromaticContact CE1-CG 3.87Å; F628-F632 HydrophobicContact CE1-CG 3.87Å; F628-F632 HydrophobicContact CE2-CB 4.43Å; F628-F632 HydrophobicContact CZ-CB 3.86Å; F628-F632 AromaticContact CZ-CD2 3.81Å; F628-F632 HydrophobicContact CZ-CD2 3.81Å; F628-F632 AromaticContact CZ-CG 3.85Å; F628-F632 HydrophobicContact CZ-CG 3.85Å; F628-F632 VanDerWaalsContact O-CB 3.28Å; F628-F632 WeakPolarHBondContact O-CB 3.19Å; F628-F632 PolarHBondContact O-N 3.37Å; L629-F632 PolarHBondContact O-N 2.88Å; F632-E634 PolarHBondContact O-N 3.16Å; F632-E634 VanDerWaalsContact O-N 3.13Å; F632-T635 HydrophobicContact CD2-CG2 4.37Å; F632-T635 WeakPolarHBondContact O-CB 3.28Å; F632-T635 WeakPolarHBondContact O-CG2 3.45Å; F632-T635 PolarHBondContact O-N 3.37Å; F632-T635 VanDerWaalsContact O-N 3.13Å; F632-T635 PolarHBondContact O-OG1 3.28Å; F632-F638 HydrophobicContact CE1-CB 4.06Å; F632-F638 AromaticContact CE1-CD2 3.86Å; F632-F638 HydrophobicContact CE1-CD2 3.86Å; F632-F638 HydrophobicContact CE1-CG 4.25Å; F632-F638 HydrophobicContact CZ-CB 4.33Å |
| 633 | L | 92.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 0.9 | 177.9 | -63.9 | 167.2 | 0 | 0 | 0 | 113.9 | F583 L609 F612 K614 F617 L618 L629 A631 F638 | F583-L633 HydrophobicContact CE1-CD2 4.26Å; L609-L633 VanDerWaalsContact CD2-O 3.27Å; L609-L633 WeakPolarHBondContact CD2-O 3.41Å; F612-L633 HydrophobicContact CE1-CD2 4.13Å; K614-L633 HydrophobicContact CD-CB 4.16Å; K614-L633 HydrophobicContact CG-CB 4.44Å; K614-L633 HydrophobicContact CG-CD1 4.22Å; F617-L633 HydrophobicContact CD1-CD1 3.7Å; F617-L633 HydrophobicContact CD1-CD2 4.23Å; F617-L633 HydrophobicContact CE1-CD1 4.03Å; F617-L633 HydrophobicContact CE1-CD2 4.14Å; L618-L633 HydrophobicContact CD1-CD1 4.22Å; L618-L633 HydrophobicContact CD2-CD1 3.74Å; L618-L633 HydrophobicContact CG-CD1 3.83Å; L629-L633 HydrophobicContact CB-CD1 4.29Å; L629-L633 VanDerWaalsContact O-CB 3.27Å; L629-L633 WeakPolarHBondContact O-CB 3.32Å; L629-L633 VanDerWaalsContact O-CD1 3.3Å; L629-L633 WeakPolarHBondContact O-CD1 3.39Å; L629-L633 WeakPolarHBondContact O-CG 3.42Å; L629-L633 PolarHBondContact O-N 2.84Å; A631-L633 VanDerWaalsContact C-N 3.27Å; A631-L633 PolarHBondContact O-N 3.01Å; L633-F638 HydrophobicContact CB-CD1 4.32Å; L633-F638 HydrophobicContact CB-CE1 4.44Å; L633-F638 HydrophobicContact CD2-CD1 3.69Å; L633-F638 HydrophobicContact CD2-CD2 4.1Å; L633-F638 HydrophobicContact CD2-CE1 3.29Å; L633-F638 HydrophobicContact CD2-CE2 3.75Å; L633-F638 HydrophobicContact CD2-CG 4.08Å; L633-F638 HydrophobicContact CD2-CZ 3.34Å; L633-F638 HydrophobicContact CG-CE1 4.45Å |
| 634 | E | 90.4 | Very high | 89.9 | Confident | 136 Ų | 136 | 34.1 Ų | 34.1 | 64% | 0.636 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -5 | 171.7 | -52 | -164.9 | 162.1 | 0 | 0 | 112.9 | K614 A631 F632 | K614-E634 IonicContact NZ-OE1 2.94Å; K614-E634 PolarHBondContact NZ-OE1 3.1Å; A631-E634 PolarHBondContact O-N 3.3Å; F632-E634 PolarHBondContact O-N 3.16Å; F632-E634 VanDerWaalsContact O-N 3.13Å |
| 635 | T | 92.4 | Very high | 89.3 | Confident | 7 Ų | 7 | 30 Ų | 30 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -73 | 149.5 | -176.5 | 63.9 | 0 | 0 | 0 | 0 | 113 | L291 E293 F632 M637 F638 A639 | L291-T635 WeakPolarHBondContact O-CG2 3.35Å; E293-T635 HydrophobicContact CG-CG2 3.91Å; F632-T635 HydrophobicContact CD2-CG2 4.37Å; F632-T635 WeakPolarHBondContact O-CB 3.28Å; F632-T635 WeakPolarHBondContact O-CG2 3.45Å; F632-T635 PolarHBondContact O-N 3.37Å; F632-T635 VanDerWaalsContact O-N 3.13Å; F632-T635 PolarHBondContact O-OG1 3.28Å; T635-M637 PolarHBondContact O-N 2.98Å; T635-F638 PolarHBondContact O-N 2.98Å; T635-F638 WeakPolarHBondContact OG1-CB 3.43Å; T635-F638 PolarHBondContact OG1-N 2.91Å; T635-A639 PolarHBondContact O-N 3.38Å; T635-A639 VanDerWaalsContact O-N 3.07Å |
| 636 | Q | 90.8 | Very high | 88.5 | Confident | 95 Ų | 95 | 29.8 Ų | 29.8 | 44% | 0.444 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.1 | -30.8 | 173.7 | -173.3 | 57.8 | 40.5 | 0 | 0 | 111.6 | E293 L323 A639 S640 | E293-Q636 VanDerWaalsContact CD-N 3.32Å; E293-Q636 WeakPolarHBondContact OE1-CA 3.28Å; E293-Q636 WeakPolarHBondContact OE1-CB 3.18Å; E293-Q636 PolarHBondContact OE1-N 3.05Å; E293-Q636 PolarHBondContact OE2-N 3.34Å; L323-Q636 HydrophobicContact CD1-CG 4.13Å; Q636-A639 PolarHBondContact O-N 3Å; Q636-S640 VanDerWaalsContact O-CB 3.29Å; Q636-S640 WeakPolarHBondContact O-CB 3.29Å; Q636-S640 PolarHBondContact O-N 3.42Å |
| 637 | M | 90.2 | Very high | 87.5 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.8 | -48.1 | 170.6 | -75.1 | -157.3 | -69.1 | 0 | 0 | 112.6 | T290 L291 E293 L317 F320 Y321 W322 T635 F641 | T290-M637 VanDerWaalsContact O-CE 3.23Å; T290-M637 WeakPolarHBondContact O-CE 3.14Å; L291-M637 WeakPolarHBondContact O-CE 3.46Å; E293-M637 HydrophobicContact CG-CE 4.02Å; E293-M637 HydrophobicContact CG-CG 4.45Å; E293-M637 VanDerWaalsContact OE1-CG 3.26Å; E293-M637 WeakPolarHBondContact OE1-CG 3.27Å; E293-M637 PolarHBondContact OE1-N 3.46Å; L317-M637 HydrophobicContact CD1-SD 4.06Å; F320-M637 HydrophobicContact CB-CB 4.43Å; F320-M637 HydrophobicContact CB-SD 4.39Å; Y321-M637 WeakPolarHBondContact O-CG 3.32Å; W322-M637 HydrophobicContact CE3-SD 4.43Å; T635-M637 PolarHBondContact O-N 2.98Å; M637-F641 WeakPolarHBondContact O-CB 3.41Å; M637-F641 PolarHBondContact O-N 3.22Å; M637-F641 VanDerWaalsContact O-N 3.12Å |
| 638 | F | 92.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.2 | -42.4 | 177.2 | -176 | -108.7 | 0 | 0 | 0 | 111.9 | F320 F583 L609 F612 F632 L633 T635 S640 F641 L642 | F320-F638 HydrophobicContact CE1-CD2 4.03Å; F583-F638 HydrophobicContact CD1-CE2 4.4Å; F583-F638 HydrophobicContact CE1-CD2 4.46Å; F583-F638 AromaticContact CE1-CE2 3.9Å; F583-F638 HydrophobicContact CE1-CE2 3.9Å; L609-F638 HydrophobicContact CD2-CD1 3.82Å; L609-F638 HydrophobicContact CD2-CE1 4.3Å; F612-F638 AromaticContact CD1-CE1 3.94Å; F612-F638 HydrophobicContact CD1-CE1 3.94Å; F612-F638 HydrophobicContact CD1-CZ 4.2Å; F612-F638 AromaticContact CE1-CE1 3.93Å; F612-F638 HydrophobicContact CE1-CE1 3.93Å; F612-F638 AromaticContact CE1-CZ 3.86Å; F612-F638 HydrophobicContact CE1-CZ 3.86Å; F612-F638 HydrophobicContact CE2-CZ 4.24Å; F612-F638 HydrophobicContact CG-CE1 4.43Å; F612-F638 HydrophobicContact CZ-CE1 4.41Å; F612-F638 AromaticContact CZ-CZ 3.87Å; F612-F638 HydrophobicContact CZ-CZ 3.87Å; F632-F638 HydrophobicContact CE1-CB 4.06Å; F632-F638 AromaticContact CE1-CD2 3.86Å; F632-F638 HydrophobicContact CE1-CD2 3.86Å; F632-F638 HydrophobicContact CE1-CG 4.25Å; F632-F638 HydrophobicContact CZ-CB 4.33Å; L633-F638 HydrophobicContact CB-CD1 4.32Å; L633-F638 HydrophobicContact CB-CE1 4.44Å; L633-F638 HydrophobicContact CD2-CD1 3.69Å; L633-F638 HydrophobicContact CD2-CD2 4.1Å; L633-F638 HydrophobicContact CD2-CE1 3.29Å; L633-F638 HydrophobicContact CD2-CE2 3.75Å; L633-F638 HydrophobicContact CD2-CG 4.08Å; L633-F638 HydrophobicContact CD2-CZ 3.34Å; L633-F638 HydrophobicContact CG-CE1 4.45Å; T635-F638 PolarHBondContact O-N 2.98Å; T635-F638 WeakPolarHBondContact OG1-CB 3.43Å; T635-F638 PolarHBondContact OG1-N 2.91Å; F638-S640 PolarHBondContact O-N 3.46Å; F638-F641 HydrophobicContact CD2-CD1 4.25Å; F638-F641 HydrophobicContact CE2-CD1 4.14Å; F638-F641 HydrophobicContact CE2-CE1 4.44Å; F638-F641 WeakPolarHBondContact O-CB 3.49Å; F638-F641 PolarHBondContact O-N 2.87Å; F638-L642 HydrophobicContact CD1-CD1 3.97Å; F638-L642 HydrophobicContact CD1-CG 4.39Å; F638-L642 HydrophobicContact CE1-CD1 3.43Å; F638-L642 VanDerWaalsContact CE1-CD1 3.43Å; F638-L642 HydrophobicContact CE1-CD2 4.33Å; F638-L642 HydrophobicContact CE1-CG 3.92Å; F638-L642 HydrophobicContact CE2-CD2 4.46Å; F638-L642 HydrophobicContact CE2-CG 4.44Å; F638-L642 HydrophobicContact CZ-CD1 3.9Å; F638-L642 HydrophobicContact CZ-CD2 3.92Å; F638-L642 HydrophobicContact CZ-CG 3.94Å; F638-L642 PolarHBondContact O-N 3.42Å |
| 639 | A | 88.7 | Confident | 84.8 | Confident | 7 Ų | 7 | 34.4 Ų | 34.4 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.7 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L609 T635 Q636 L642 D643 | L609-A639 HydrophobicContact CD2-CB 4.08Å; L609-A639 HydrophobicContact CG-CB 4.18Å; T635-A639 PolarHBondContact O-N 3.38Å; T635-A639 VanDerWaalsContact O-N 3.07Å; Q636-A639 PolarHBondContact O-N 3Å; A639-L642 WeakPolarHBondContact O-CB 3.21Å; A639-L642 PolarHBondContact O-N 3.33Å; A639-D643 PolarHBondContact O-N 3.2Å |
| 640 | S | 86.4 | Confident | 83.1 | Confident | 31 Ų | 31 | 36.8 Ų | 36.8 | 22% | 0.217 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.8 | -30.8 | 178 | -174.1 | 0 | 0 | 0 | 0 | 113.3 | Q636 F638 S644 | Q636-S640 VanDerWaalsContact O-CB 3.29Å; Q636-S640 WeakPolarHBondContact O-CB 3.29Å; Q636-S640 PolarHBondContact O-N 3.42Å; F638-S640 PolarHBondContact O-N 3.46Å; S640-S644 WeakPolarHBondContact O-CB 3.36Å; S640-S644 PolarHBondContact O-N 2.74Å; S640-S644 PolarHBondContact O-OG 2.82Å |
| 641 | F | 88.3 | Confident | 81.3 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 4% | 0.044 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 170.5 | 165.7 | -93.2 | 0 | 0 | 0 | 110.9 | P319 F320 Y586 M637 F638 S644 R645 L667 F670 | P319-F641 HydrophobicContact CB-CD2 4.23Å; P319-F641 HydrophobicContact CB-CE2 4.01Å; P319-F641 HydrophobicContact CG-CD2 4.13Å; P319-F641 HydrophobicContact CG-CE2 3.79Å; F320-F641 HydrophobicContact CD1-CB 3.8Å; F320-F641 HydrophobicContact CD1-CD2 4.25Å; F320-F641 HydrophobicContact CD1-CG 4.02Å; F320-F641 HydrophobicContact CE1-CB 3.89Å; F320-F641 AromaticContact CE1-CD1 3.94Å; F320-F641 HydrophobicContact CE1-CD1 3.94Å; F320-F641 HydrophobicContact CE1-CD2 4.01Å; F320-F641 HydrophobicContact CE1-CE1 4.5Å; F320-F641 AromaticContact CE1-CG 3.67Å; F320-F641 HydrophobicContact CE1-CG 3.67Å; Y586-F641 HydrophobicContact CD2-CE1 4.19Å; Y586-F641 HydrophobicContact CE1-CE1 4.34Å; Y586-F641 HydrophobicContact CE1-CZ 4.04Å; Y586-F641 AromaticContact CE2-CE1 3.64Å; Y586-F641 HydrophobicContact CE2-CE1 3.64Å; Y586-F641 HydrophobicContact CE2-CZ 4.08Å; Y586-F641 AromaticContact CZ-CE1 3.71Å; Y586-F641 AromaticContact CZ-CZ 3.62Å; Y586-F641 WeakPolarHBondContact OH-CZ 3.41Å; M637-F641 WeakPolarHBondContact O-CB 3.41Å; M637-F641 PolarHBondContact O-N 3.22Å; M637-F641 VanDerWaalsContact O-N 3.12Å; F638-F641 HydrophobicContact CD2-CD1 4.25Å; F638-F641 HydrophobicContact CE2-CD1 4.14Å; F638-F641 HydrophobicContact CE2-CE1 4.44Å; F638-F641 WeakPolarHBondContact O-CB 3.49Å; F638-F641 PolarHBondContact O-N 2.87Å; F641-S644 PolarHBondContact O-N 2.79Å; F641-R645 PolarHBondContact O-N 2.68Å; F641-L667 HydrophobicContact CD2-CD1 4.01Å; F641-L667 HydrophobicContact CE2-CD1 3.56Å; F641-L667 HydrophobicContact CZ-CD1 4.38Å; F641-F670 HydrophobicContact CE2-CD1 4Å; F641-F670 AromaticContact CE2-CE1 3.99Å; F641-F670 HydrophobicContact CE2-CE1 3.99Å; F641-F670 HydrophobicContact CZ-CD1 4.13Å; F641-F670 AromaticContact CZ-CE1 3.75Å; F641-F670 HydrophobicContact CZ-CE1 3.75Å |
| 642 | L | 85.7 | Confident | 79.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 173.6 | -68 | 176.2 | 0 | 0 | 0 | 112.4 | Y586 L590 L609 F612 F638 A639 S644 R645 I646 | Y586-L642 HydrophobicContact CD2-CD2 4.37Å; Y586-L642 HydrophobicContact CE2-CD2 4.26Å; L590-L642 HydrophobicContact CD2-CD2 3.89Å; L609-L642 HydrophobicContact CD2-CD1 4.29Å; F612-L642 HydrophobicContact CB-CD1 3.64Å; F612-L642 HydrophobicContact CD2-CD1 4.35Å; F612-L642 HydrophobicContact CD2-CD2 3.89Å; F612-L642 HydrophobicContact CE2-CD2 4.39Å; F612-L642 HydrophobicContact CG-CD1 3.95Å; F612-L642 HydrophobicContact CG-CD2 4.33Å; F638-L642 HydrophobicContact CD1-CD1 3.97Å; F638-L642 HydrophobicContact CD1-CG 4.39Å; F638-L642 HydrophobicContact CE1-CD1 3.43Å; F638-L642 VanDerWaalsContact CE1-CD1 3.43Å; F638-L642 HydrophobicContact CE1-CD2 4.33Å; F638-L642 HydrophobicContact CE1-CG 3.92Å; F638-L642 HydrophobicContact CE2-CD2 4.46Å; F638-L642 HydrophobicContact CE2-CG 4.44Å; F638-L642 HydrophobicContact CZ-CD1 3.9Å; F638-L642 HydrophobicContact CZ-CD2 3.92Å; F638-L642 HydrophobicContact CZ-CG 3.94Å; F638-L642 PolarHBondContact O-N 3.42Å; A639-L642 WeakPolarHBondContact O-CB 3.21Å; A639-L642 PolarHBondContact O-N 3.33Å; L642-S644 VanDerWaalsContact C-N 3.29Å; L642-S644 PolarHBondContact O-N 3.29Å; L642-R645 WeakPolarHBondContact O-CA 3.27Å; L642-R645 WeakPolarHBondContact O-CB 3.43Å; L642-R645 PolarHBondContact O-N 3.22Å; L642-I646 WeakPolarHBondContact O-CG1 3.39Å; L642-I646 PolarHBondContact O-N 2.83Å |
| 643 | D | 82.1 | Confident | 77.3 | Confident | 34 Ų | 34 | 45 Ų | 45 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.5 | -40.4 | 177.2 | -82.4 | -30.6 | 0 | 0 | 0 | 112.1 | C607 G608 A639 R645 I646 K647 | C607-D643 WeakPolarHBondContact CA-OD1 3.34Å; C607-D643 WeakPolarHBondContact CB-OD1 3.22Å; G608-D643 PolarHBondContact N-OD1 2.9Å; A639-D643 PolarHBondContact O-N 3.2Å; D643-R645 VanDerWaalsContact C-N 3.31Å; D643-R645 PolarHBondContact O-N 2.82Å; D643-I646 PolarHBondContact O-N 3.3Å; D643-K647 WeakPolarHBondContact O-CB 3.47Å; D643-K647 WeakPolarHBondContact O-CD 3.47Å; D643-K647 WeakPolarHBondContact O-CG 3.3Å; D643-K647 PolarHBondContact O-N 3.12Å |
| 644 | S | 79.4 | Confident | 74.7 | Confident | 43 Ų | 43 | 50.2 Ų | 50.2 | 30% | 0.301 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 175.2 | -59 | 0 | 0 | 0 | 0 | 111.5 | S640 F641 L642 W648 | S640-S644 WeakPolarHBondContact O-CB 3.36Å; S640-S644 PolarHBondContact O-N 2.74Å; S640-S644 PolarHBondContact O-OG 2.82Å; F641-S644 PolarHBondContact O-N 2.79Å; L642-S644 VanDerWaalsContact C-N 3.29Å; L642-S644 PolarHBondContact O-N 3.29Å; S644-W648 PolarHBondContact O-N 2.89Å |
| 645 | R | 75.6 | Confident | 72.2 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.6 | -47 | 175.5 | 176.5 | 60 | -175.5 | 167.2 | 10.5 | 112.7 | Y586 E587 L590 F641 L642 D643 W648 H649 H671 | Y586-R645 HydrophobicContact CE2-CG 4.29Å; Y586-R645 VanDerWaalsContact OH-CD 3.31Å; Y586-R645 WeakPolarHBondContact OH-CD 3.19Å; Y586-R645 WeakPolarHBondContact OH-CG 3.38Å; E587-R645 IonicContact OE1-CZ 3.1Å; E587-R645 IonicContact OE1-NE 3.04Å; E587-R645 PolarHBondContact OE1-NE 2.84Å; E587-R645 IonicContact OE1-NH1 3.2Å; E587-R645 IonicContact OE1-NH2 3.93Å; E587-R645 PolarHBondContact OE1-NH2 2.9Å; L590-R645 HydrophobicContact CD1-CG 4.21Å; F641-R645 PolarHBondContact O-N 2.68Å; L642-R645 WeakPolarHBondContact O-CA 3.27Å; L642-R645 WeakPolarHBondContact O-CB 3.43Å; L642-R645 PolarHBondContact O-N 3.22Å; D643-R645 VanDerWaalsContact C-N 3.31Å; D643-R645 PolarHBondContact O-N 2.82Å; R645-W648 PolarHBondContact O-N 2.89Å; R645-H649 PolarHBondContact O-N 3.15Å; R645-H671 VanDerWaalsContact CD-NE2 3.33Å; R645-H671 WeakPolarHBondContact CD-NE2 3.32Å; R645-H671 PolarHBondContact NE-CE1 2.83Å; R645-H671 PolarHBondContact NH1-CD2 2.81Å; R645-H671 PolarHBondContact NH1-CE1 2.83Å; R645-H671 PolarHBondContact NH1-NE2 2.86Å |
| 646 | I | 75.3 | Confident | 69.5 | Low | 14 Ų | 14 | 59.9 Ų | 59.9 | 7% | 0.072 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | -178.8 | -67.1 | 164.1 | 0 | 0 | 0 | 110.2 | I605 L642 D643 W648 H649 N650 | I605-I646 HydrophobicContact CG2-CG2 4.31Å; L642-I646 WeakPolarHBondContact O-CG1 3.39Å; L642-I646 PolarHBondContact O-N 2.83Å; D643-I646 PolarHBondContact O-N 3.3Å; I646-W648 PolarHBondContact O-N 2.64Å; I646-H649 PolarHBondContact O-N 3.38Å; I646-N650 PolarHBondContact O-N 3.05Å; I646-N650 VanDerWaalsContact O-N 3.07Å |
| 647 | K | 68.9 | Low | 66.6 | Low | 134 Ų | 134 | 61.1 Ų | 61.1 | 58% | 0.583 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -56.1 | -46.5 | 172.9 | -72.7 | 164.9 | -172.8 | 167.8 | 0 | 111.9 | D643 N650 L651 | D643-K647 WeakPolarHBondContact O-CB 3.47Å; D643-K647 WeakPolarHBondContact O-CD 3.47Å; D643-K647 WeakPolarHBondContact O-CG 3.3Å; D643-K647 PolarHBondContact O-N 3.12Å; K647-N650 PolarHBondContact O-N 2.9Å; K647-L651 WeakPolarHBondContact O-CG 3.27Å; K647-L651 PolarHBondContact O-N 2.99Å |
| 648 | W | 66.9 | Low | 63.8 | Low | 50 Ų | 50 | 69.1 Ų | 69.1 | 19% | 0.189 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 178 | -172.4 | 82.4 | 0 | 0 | 0 | 113.1 | I248 S644 R645 I646 N650 L651 S652 | I248-W648 HydrophobicContact CD1-CZ2 4.43Å; I248-W648 HydrophobicContact CG2-CZ2 4.17Å; S644-W648 PolarHBondContact O-N 2.89Å; R645-W648 PolarHBondContact O-N 2.89Å; I646-W648 PolarHBondContact O-N 2.64Å; W648-N650 VanDerWaalsContact C-N 3.35Å; W648-N650 PolarHBondContact O-N 3.15Å; W648-L651 PolarHBondContact O-N 3.24Å; W648-S652 PolarHBondContact O-N 2.83Å |
| 649 | H | 64.4 | Low | 60.7 | Low | 46 Ų | 46 | 73.2 Ų | 73.2 | 21% | 0.213 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 178.1 | -172.8 | -102.6 | 0 | 0 | 0 | 111.4 | R645 I646 L651 S652 Q653 | R645-H649 PolarHBondContact O-N 3.15Å; I646-H649 PolarHBondContact O-N 3.38Å; H649-L651 PolarHBondContact O-N 2.92Å; H649-S652 PolarHBondContact O-N 3.16Å; H649-S652 VanDerWaalsContact O-N 3.12Å; H649-S652 PolarHBondContact O-OG 2.99Å; H649-Q653 PolarHBondContact CE1-NE2 2.87Å; H649-Q653 PolarHBondContact O-N 2.84Å |
| 650 | N | 57.9 | Low | 58 | Low | 51 Ų | 51 | 77.5 Ų | 77.5 | 27% | 0.273 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.1 | -34.9 | 177.4 | -66.1 | -12 | 0 | 0 | 0 | 112.9 | I646 K647 W648 N654 | I646-N650 PolarHBondContact O-N 3.05Å; I646-N650 VanDerWaalsContact O-N 3.07Å; K647-N650 PolarHBondContact O-N 2.9Å; W648-N650 VanDerWaalsContact C-N 3.35Å; W648-N650 PolarHBondContact O-N 3.15Å; N650-N654 PolarHBondContact O-ND2 2.77Å |
| 651 | L | 53.4 | Low | 55.4 | Low | 79 Ų | 79 | 81.9 Ų | 81.9 | 41% | 0.414 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.3 | -36.6 | 170.8 | -77.9 | 162.3 | 0 | 0 | 0 | 112 | K647 W648 H649 | K647-L651 WeakPolarHBondContact O-CG 3.27Å; K647-L651 PolarHBondContact O-N 2.99Å; W648-L651 PolarHBondContact O-N 3.24Å; H649-L651 PolarHBondContact O-N 2.92Å |
| 652 | S | 51.9 | Low | 53.1 | Low | 51 Ų | 51 | 86.4 Ų | 86.4 | 36% | 0.357 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -72.4 | -28.2 | -178.2 | 77.1 | 0 | 0 | 0 | 0 | 114.5 | W648 H649 | W648-S652 PolarHBondContact O-N 2.83Å; H649-S652 PolarHBondContact O-N 3.16Å; H649-S652 VanDerWaalsContact O-N 3.12Å; H649-S652 PolarHBondContact O-OG 2.99Å |
| 653 | Q | 49.6 | Very low | 51.3 | Low | 131 Ų | 131 | 88.9 Ų | 88.9 | 61% | 0.612 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -79.8 | -34.7 | 178.8 | -67.8 | -168.1 | -7.6 | 0 | 0 | 112.7 | H649 K655 | H649-Q653 PolarHBondContact CE1-NE2 2.87Å; H649-Q653 PolarHBondContact O-N 2.84Å; Q653-K655 PolarHBondContact O-N 2.63Å |
| 654 | N | 38.9 | Very low | 49.9 | Very low | 112 Ų | 112 | 89.4 Ų | 89.4 | 60% | 0.599 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -80 | 108.5 | 176.3 | -71.7 | -64.2 | 0 | 0 | 0 | 109.9 | N650 I656 | N650-N654 PolarHBondContact O-ND2 2.77Å; N654-I656 PolarHBondContact O-N 2.91Å |
| 655 | K | 38.2 | Very low | 48.7 | Very low | 212 Ų | 212 | 89.4 Ų | 89.4 | 92% | 0.922 | 48% | 0.475 | S | S | * | . | trans | -64.5 | 18.6 | -176.8 | -80.8 | -172.2 | 172 | -177.4 | 0 | 116.2 | Q653 | Q653-K655 PolarHBondContact O-N 2.63Š| ||
| 656 | I | 34.5 | Very low | 48 | Very low | 134 Ų | 134 | 89.3 Ų | 89.3 | 69% | 0.687 | 48% | 0.475 | S | S | * | . | trans | -108.4 | 79.2 | -177.9 | -52.2 | 178.5 | 0 | 0 | 0 | 109.1 | N654 H658 | N654-I656 PolarHBondContact O-N 2.91Å; I656-H658 HydrophobicContact CG2-CB 4.34Å; I656-H658 PolarHBondContact O-N 2.88Å | ||
| 657 | M | 30.9 | Very low | 47.7 | Very low | 120 Ų | 120 | 89 Ų | 89 | 59% | 0.591 | 47% | 0.473 | S | S | * | . | trans | -75.7 | 57.2 | 176 | -83.9 | -79.2 | -64 | 0 | 0 | 112.1 | P247 | P247-M657 HydrophobicContact CB-CE 4.14Š| ||
| 658 | H | 29.9 | Very low | 47.4 | Very low | 171 Ų | 171 | 83.1 Ų | 83.1 | 79% | 0.792 | 45% | 0.449 | S | S | * | . | trans | -139.9 | 57.4 | -175.7 | -71.8 | -51.1 | 0 | 0 | 0 | 114.3 | I656 | I656-H658 HydrophobicContact CG2-CB 4.34Å; I656-H658 PolarHBondContact O-N 2.88Å | ||
| 659 | S | 27.7 | Very low | 47.3 | Very low | 85 Ų | 85 | 81.1 Ų | 81.1 | 59% | 0.594 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -167.4 | 124.2 | 156.2 | 52 | 0 | 0 | 0 | 0 | 112.4 | N661 | S659-N661 PolarHBondContact O-N 3.2Š|
| 660 | S | 32 | Very low | 47.7 | Very low | 98 Ų | 98 | 79 Ų | 79 | 69% | 0.685 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 15.6 | -16.1 | 154.6 | 49.3 | 0 | 0 | 0 | 0 | 125 | S662 | S660-S662 PolarHBondContact O-N 3.35Š|
| 661 | N | 32.7 | Very low | 48.3 | Very low | 122 Ų | 122 | 77.6 Ų | 77.6 | 65% | 0.652 | 42% | 0.424 | S | S | * | . | trans | -93.5 | 73.4 | -178.6 | -76.5 | -25 | 0 | 0 | 0 | 112.3 | S659 | S659-N661 PolarHBondContact O-N 3.2Š| ||
| 662 | S | 39.9 | Very low | 49 | Very low | 106 Ų | 106 | 75.7 Ų | 75.7 | 74% | 0.741 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -68 | 139.2 | 168 | 53.5 | 0 | 0 | 0 | 0 | 111.3 | S660 | S660-S662 PolarHBondContact O-N 3.35Š|
| 663 | P | 46.9 | Very low | 49.6 | Very low | 51 Ų | 51 | 75.3 Ų | 75.3 | 33% | 0.331 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 156.7 | 171.5 | 29.4 | -36.8 | 0 | 0 | 0 | 111.4 | V665 | P663-V665 PolarHBondContact O-N 3.28Š|
| 664 | S | 53.4 | Low | 50.7 | Low | 45 Ų | 45 | 69.1 Ų | 69.1 | 32% | 0.315 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 140.2 | 173.3 | 63.6 | 0 | 0 | 0 | 0 | 111.2 | Y321 H666 L667 T668 | Y321-S664 VanDerWaalsContact OH-CB 3.24Å; Y321-S664 WeakPolarHBondContact OH-CB 3.25Å; Y321-S664 PolarHBondContact OH-OG 2.93Å; S664-H666 PolarHBondContact O-N 3.26Å; S664-L667 PolarHBondContact O-N 3.31Å; S664-T668 PolarHBondContact O-N 3.05Å; S664-T668 PolarHBondContact O-OG1 3.47Å |
| 665 | V | 54.9 | Low | 52.1 | Low | 44 Ų | 44 | 66.3 Ų | 66.3 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -52.2 | -45.8 | -178 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | I245 P663 L667 T668 V669 | I245-V665 HydrophobicContact CD1-CB 4.36Å; I245-V665 HydrophobicContact CD1-CG1 3.79Å; I245-V665 WeakPolarHBondContact CD1-O 3.24Å; I245-V665 HydrophobicContact CG1-CG1 4.22Å; P663-V665 PolarHBondContact O-N 3.28Å; V665-L667 PolarHBondContact O-N 2.96Å; V665-T668 WeakPolarHBondContact O-CA 3.46Å; V665-T668 VanDerWaalsContact O-CB 3.3Å; V665-T668 WeakPolarHBondContact O-CB 3.36Å; V665-T668 PolarHBondContact O-N 3.31Å; V665-T668 VanDerWaalsContact O-N 3.12Å; V665-V669 HydrophobicContact CG1-CG2 4.28Å; V665-V669 VanDerWaalsContact O-CG2 3.29Å; V665-V669 WeakPolarHBondContact O-CG2 3.2Å; V665-V669 PolarHBondContact O-N 2.88Å |
| 666 | H | 61 | Low | 53.2 | Low | 19 Ų | 19 | 62.5 Ų | 62.5 | 9% | 0.088 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.5 | -37.8 | -176.2 | -53.2 | -77.6 | 0 | 0 | 0 | 114.6 | S265 L318 Y321 S664 T668 V669 F670 | S265-H666 WeakPolarHBondContact CB-CE1 3.37Å; S265-H666 VanDerWaalsContact CB-NE2 3.35Å; S265-H666 WeakPolarHBondContact CB-NE2 3.28Å; S265-H666 PolarHBondContact OG-CE1 3.43Å; S265-H666 PolarHBondContact OG-NE2 2.91Å; L318-H666 VanDerWaalsContact CD1-ND1 3.35Å; L318-H666 WeakPolarHBondContact CD1-ND1 3.38Å; L318-H666 HydrophobicContact CD2-CB 3.88Å; Y321-H666 AromaticContact CE1-CD2 3.93Å; Y321-H666 WeakPolarHBondContact OH-CB 3.41Å; Y321-H666 PolarHBondContact OH-CD2 3.29Å; S664-H666 PolarHBondContact O-N 3.26Å; H666-T668 PolarHBondContact O-N 3.33Å; H666-V669 PolarHBondContact O-N 2.91Å; H666-F670 WeakPolarHBondContact O-CB 3.24Å; H666-F670 PolarHBondContact O-N 2.63Å |
| 667 | L | 67.6 | Low | 54.5 | Low | 7 Ų | 7 | 57.7 Ų | 57.7 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.4 | -36.1 | 173.6 | -179.3 | 61.1 | 0 | 0 | 0 | 110.4 | F641 S664 V665 F670 H671 | F641-L667 HydrophobicContact CD2-CD1 4.01Å; F641-L667 HydrophobicContact CE2-CD1 3.56Å; F641-L667 HydrophobicContact CZ-CD1 4.38Å; S664-L667 PolarHBondContact O-N 3.31Å; V665-L667 PolarHBondContact O-N 2.96Å; L667-F670 PolarHBondContact O-N 3.15Å; L667-H671 PolarHBondContact O-CD2 2.58Å; L667-H671 PolarHBondContact O-N 2.94Å |
| 668 | T | 63.9 | Low | 56.1 | Low | 11 Ų | 11 | 54.7 Ų | 54.7 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.1 | -41.4 | 178.6 | -48.1 | 0 | 0 | 0 | 0 | 111.9 | I245 I248 S664 V665 H666 F670 H671 L672 | I245-T668 HydrophobicContact CB-CG2 4.4Å; I245-T668 HydrophobicContact CD1-CG2 3.63Å; I245-T668 HydrophobicContact CG2-CG2 3.89Å; I248-T668 HydrophobicContact CD1-CG2 3.49Å; I248-T668 VanDerWaalsContact CD1-CG2 3.49Å; I248-T668 HydrophobicContact CG1-CG2 4.23Å; S664-T668 PolarHBondContact O-N 3.05Å; S664-T668 PolarHBondContact O-OG1 3.47Å; V665-T668 WeakPolarHBondContact O-CA 3.46Å; V665-T668 VanDerWaalsContact O-CB 3.3Å; V665-T668 WeakPolarHBondContact O-CB 3.36Å; V665-T668 PolarHBondContact O-N 3.31Å; V665-T668 VanDerWaalsContact O-N 3.12Å; H666-T668 PolarHBondContact O-N 3.33Å; T668-F670 VanDerWaalsContact C-N 3.33Å; T668-F670 PolarHBondContact O-N 2.93Å; T668-H671 PolarHBondContact O-N 3.21Å; T668-L672 WeakPolarHBondContact O-CG 3.43Å; T668-L672 PolarHBondContact O-N 2.96Å |
| 669 | V | 63.7 | Low | 57.4 | Low | 9 Ų | 9 | 52.8 Ų | 52.8 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.4 | -48.2 | 169.4 | -178 | 0 | 0 | 0 | 0 | 110.2 | I245 V262 L264 L576 V665 H666 H671 L672 L673 | I245-V669 HydrophobicContact CD1-CG2 4.2Å; V262-V669 HydrophobicContact CG1-CB 4.11Å; V262-V669 HydrophobicContact CG1-CG1 4.39Å; V262-V669 HydrophobicContact CG1-CG2 3.49Å; V262-V669 VanDerWaalsContact CG1-CG2 3.49Å; L264-V669 HydrophobicContact CD2-CB 4.41Å; L264-V669 HydrophobicContact CD2-CG1 4.08Å; L264-V669 HydrophobicContact CD2-CG2 4.18Å; L264-V669 HydrophobicContact CG-CG1 4.38Å; L576-V669 HydrophobicContact CD2-CG1 3.88Å; V665-V669 HydrophobicContact CG1-CG2 4.28Å; V665-V669 VanDerWaalsContact O-CG2 3.29Å; V665-V669 WeakPolarHBondContact O-CG2 3.2Å; V665-V669 PolarHBondContact O-N 2.88Å; H666-V669 PolarHBondContact O-N 2.91Å; V669-H671 PolarHBondContact O-N 2.81Å; V669-L672 WeakPolarHBondContact O-CB 3.04Å; V669-L672 PolarHBondContact O-N 3.48Å; V669-L672 VanDerWaalsContact O-N 3.14Å; V669-L673 HydrophobicContact CG1-CD1 4.14Å; V669-L673 PolarHBondContact O-N 3.09Å |
| 670 | F | 73.1 | Confident | 58.6 | Low | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.5 | -43.7 | -178 | -172.1 | -113.2 | 0 | 0 | 0 | 112.4 | P319 L576 F579 F583 Y586 F641 H666 L667 T668 L672 L673 L674 | P319-F670 HydrophobicContact CB-CB 3.99Å; P319-F670 HydrophobicContact CB-CD1 4.14Å; P319-F670 HydrophobicContact CB-CD2 4.13Å; P319-F670 HydrophobicContact CB-CG 3.84Å; P319-F670 HydrophobicContact CG-CB 4.48Å; P319-F670 HydrophobicContact CG-CD1 3.88Å; P319-F670 HydrophobicContact CG-CD2 3.76Å; P319-F670 HydrophobicContact CG-CE1 3.93Å; P319-F670 HydrophobicContact CG-CE2 3.79Å; P319-F670 HydrophobicContact CG-CG 3.79Å; P319-F670 HydrophobicContact CG-CZ 3.88Å; L576-F670 HydrophobicContact CD1-CD2 3.75Å; L576-F670 HydrophobicContact CD1-CE2 4.49Å; F579-F670 HydrophobicContact CB-CE2 3.96Å; F579-F670 HydrophobicContact CB-CZ 4.46Å; F583-F670 HydrophobicContact CB-CZ 4.2Å; Y586-F670 HydrophobicContact CE1-CE1 4.48Å; F641-F670 HydrophobicContact CE2-CD1 4Å; F641-F670 AromaticContact CE2-CE1 3.99Å; F641-F670 HydrophobicContact CE2-CE1 3.99Å; F641-F670 HydrophobicContact CZ-CD1 4.13Å; F641-F670 AromaticContact CZ-CE1 3.75Å; F641-F670 HydrophobicContact CZ-CE1 3.75Å; H666-F670 WeakPolarHBondContact O-CB 3.24Å; H666-F670 PolarHBondContact O-N 2.63Å; L667-F670 PolarHBondContact O-N 3.15Å; T668-F670 VanDerWaalsContact C-N 3.33Å; T668-F670 PolarHBondContact O-N 2.93Å; F670-L672 VanDerWaalsContact C-N 3.32Å; F670-L672 PolarHBondContact O-N 3.37Å; F670-L673 PolarHBondContact O-N 3.4Å; F670-L674 HydrophobicContact CD1-CD1 3.67Å; F670-L674 HydrophobicContact CD1-CG 4.3Å; F670-L674 HydrophobicContact CE1-CD1 3.56Å; F670-L674 HydrophobicContact CE1-CD2 4.5Å; F670-L674 HydrophobicContact CE1-CG 4.15Å; F670-L674 HydrophobicContact CG-CD1 4.46Å; F670-L674 HydrophobicContact CZ-CD1 4.27Å; F670-L674 HydrophobicContact CZ-CD2 4.46Å; F670-L674 HydrophobicContact CZ-CG 4.42Å; F670-L674 WeakPolarHBondContact O-CB 3.44Å; F670-L674 WeakPolarHBondContact O-CG 3.35Å; F670-L674 PolarHBondContact O-N 3.22Å |
| 671 | H | 71.2 | Confident | 59.4 | Low | 22 Ų | 22 | 53.8 Ų | 53.8 | 10% | 0.102 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.2 | -32.8 | 175.1 | -82.6 | -63.8 | 0 | 0 | 0 | 114 | Y586 E587 R645 L667 T668 V669 S675 | Y586-H671 PolarHBondContact OH-CE1 3.48Å; Y586-H671 PolarHBondContact OH-NE2 2.96Å; E587-H671 IonicContact OE1-CE1 2.77Å; E587-H671 PolarHBondContact OE1-CE1 2.85Å; E587-H671 IonicContact OE1-ND1 2.69Å; E587-H671 PolarHBondContact OE1-ND1 3.42Å; R645-H671 VanDerWaalsContact CD-NE2 3.33Å; R645-H671 WeakPolarHBondContact CD-NE2 3.32Å; R645-H671 PolarHBondContact NE-CE1 2.83Å; R645-H671 PolarHBondContact NH1-CD2 2.81Å; R645-H671 PolarHBondContact NH1-CE1 2.83Å; R645-H671 PolarHBondContact NH1-NE2 2.86Å; L667-H671 PolarHBondContact O-CD2 2.58Å; L667-H671 PolarHBondContact O-N 2.94Å; T668-H671 PolarHBondContact O-N 3.21Å; V669-H671 PolarHBondContact O-N 2.81Å; H671-S675 WeakPolarHBondContact O-CB 3.43Å; H671-S675 PolarHBondContact O-N 3.29Å; H671-S675 PolarHBondContact O-OG 2.92Å |
| 672 | L | 66.3 | Low | 60 | Low | 39 Ų | 39 | 54.9 Ų | 54.9 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.3 | -44.8 | 174.2 | -71.3 | 161.1 | 0 | 0 | 0 | 111 | L251 V262 T668 V669 F670 S675 R676 | L251-L672 HydrophobicContact CD2-CD2 3.52Å; V262-L672 HydrophobicContact CB-CD1 3.82Å; V262-L672 HydrophobicContact CG1-CD1 3.81Å; V262-L672 HydrophobicContact CG2-CD1 3.55Å; T668-L672 WeakPolarHBondContact O-CG 3.43Å; T668-L672 PolarHBondContact O-N 2.96Å; V669-L672 WeakPolarHBondContact O-CB 3.04Å; V669-L672 PolarHBondContact O-N 3.48Å; V669-L672 VanDerWaalsContact O-N 3.14Å; F670-L672 VanDerWaalsContact C-N 3.32Å; F670-L672 PolarHBondContact O-N 3.37Å; L672-S675 PolarHBondContact O-N 3.17Å; L672-S675 PolarHBondContact O-OG 3.37Å; L672-R676 WeakPolarHBondContact O-CB 3.37Å; L672-R676 PolarHBondContact O-N 3.37Å |
| 673 | L | 66.3 | Low | 60.2 | Low | 44 Ų | 44 | 54.2 Ų | 54.2 | 23% | 0.23 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 175.4 | -65.3 | 173.4 | 0 | 0 | 0 | 112.1 | L576 T580 V669 F670 S675 R676 S677 | L576-L673 HydrophobicContact CD2-CD1 3.51Å; L576-L673 HydrophobicContact CG-CD1 3.72Å; T580-L673 HydrophobicContact CG2-CB 3.86Å; V669-L673 HydrophobicContact CG1-CD1 4.14Å; V669-L673 PolarHBondContact O-N 3.09Å; F670-L673 PolarHBondContact O-N 3.4Å; L673-S675 PolarHBondContact O-N 2.98Å; L673-R676 PolarHBondContact O-N 3.18Å; L673-S677 VanDerWaalsContact O-CB 3.31Å; L673-S677 WeakPolarHBondContact O-CB 3.42Å; L673-S677 PolarHBondContact O-N 2.8Å |
| 674 | L | 72.7 | Confident | 60 | Low | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.9 | -47.7 | 171.8 | -75 | 170.8 | 0 | 0 | 0 | 111.6 | T580 Y586 F670 R676 S677 R678 | T580-L674 HydrophobicContact CG2-CD2 3.95Å; T580-L674 HydrophobicContact CG2-CG 4.16Å; T580-L674 WeakPolarHBondContact O-CD2 3.43Å; Y586-L674 HydrophobicContact CD1-CD1 4.37Å; Y586-L674 HydrophobicContact CE1-CD1 3.84Å; F670-L674 HydrophobicContact CD1-CD1 3.67Å; F670-L674 HydrophobicContact CD1-CG 4.3Å; F670-L674 HydrophobicContact CE1-CD1 3.56Å; F670-L674 HydrophobicContact CE1-CD2 4.5Å; F670-L674 HydrophobicContact CE1-CG 4.15Å; F670-L674 HydrophobicContact CG-CD1 4.46Å; F670-L674 HydrophobicContact CZ-CD1 4.27Å; F670-L674 HydrophobicContact CZ-CD2 4.46Å; F670-L674 HydrophobicContact CZ-CG 4.42Å; F670-L674 WeakPolarHBondContact O-CB 3.44Å; F670-L674 WeakPolarHBondContact O-CG 3.35Å; F670-L674 PolarHBondContact O-N 3.22Å; L674-R676 PolarHBondContact O-N 2.9Å; L674-S677 PolarHBondContact O-N 2.83Å; L674-R678 WeakPolarHBondContact O-CB 3.42Å; L674-R678 WeakPolarHBondContact O-CG 3.35Å; L674-R678 PolarHBondContact O-N 2.83Å |
| 675 | S | 67 | Low | 59.2 | Low | 52 Ų | 52 | 61.8 Ų | 61.8 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | -179.4 | 76.7 | 0 | 0 | 0 | 0 | 112.2 | H671 L672 L673 H679 | H671-S675 WeakPolarHBondContact O-CB 3.43Å; H671-S675 PolarHBondContact O-N 3.29Å; H671-S675 PolarHBondContact O-OG 2.92Å; L672-S675 PolarHBondContact O-N 3.17Å; L672-S675 PolarHBondContact O-OG 3.37Å; L673-S675 PolarHBondContact O-N 2.98Å; S675-H679 PolarHBondContact O-CD2 3.02Å; S675-H679 PolarHBondContact O-N 3.18Å |
| 676 | R | 62.1 | Low | 58.1 | Low | 132 Ų | 132 | 70.5 Ų | 70.5 | 50% | 0.498 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.2 | -51.3 | 175.7 | 177.6 | 178.8 | 171.7 | 169.8 | 1.2 | 111.3 | L672 L673 L674 R678 H679 E680 | L672-R676 WeakPolarHBondContact O-CB 3.37Å; L672-R676 PolarHBondContact O-N 3.37Å; L673-R676 PolarHBondContact O-N 3.18Å; L674-R676 PolarHBondContact O-N 2.9Å; R676-R678 VanDerWaalsContact C-N 3.31Å; R676-R678 PolarHBondContact O-N 2.88Å; R676-H679 WeakPolarHBondContact O-CA 3.38Å; R676-H679 WeakPolarHBondContact O-CB 3.34Å; R676-H679 PolarHBondContact O-N 3.27Å; R676-E680 HydrophobicContact CG-CG 4.5Å; R676-E680 IonicContact CZ-OE1 2.61Å; R676-E680 VanDerWaalsContact CZ-OE1 3.29Å; R676-E680 IonicContact NE-OE1 2.71Å; R676-E680 PolarHBondContact NE-OE1 3.33Å; R676-E680 IonicContact NE-OE2 2.74Å; R676-E680 IonicContact NH2-OE1 3.81Å; R676-E680 PolarHBondContact NH2-OE1 3.42Å; R676-E680 PolarHBondContact O-N 3.49Å |
| 677 | S | 62.3 | Low | 56.9 | Low | 34 Ų | 34 | 73 Ų | 73 | 24% | 0.238 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 179.6 | -177.4 | 0 | 0 | 0 | 0 | 112 | Q584 L673 L674 H679 E680 R681 | Q584-S677 PolarHBondContact NE2-O 3.47Å; Q584-S677 PolarHBondContact NE2-OG 2.99Å; L673-S677 VanDerWaalsContact O-CB 3.31Å; L673-S677 WeakPolarHBondContact O-CB 3.42Å; L673-S677 PolarHBondContact O-N 2.8Å; L674-S677 PolarHBondContact O-N 2.83Å; S677-H679 VanDerWaalsContact C-N 3.35Å; S677-H679 PolarHBondContact O-N 3.49Å; S677-E680 PolarHBondContact O-N 2.81Å; S677-R681 WeakPolarHBondContact O-CB 3.47Å; S677-R681 PolarHBondContact O-N 2.92Å |
| 678 | R | 63.7 | Low | 55.1 | Low | 57 Ų | 57 | 78.2 Ų | 78.2 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.4 | -32.6 | 173.4 | -70.7 | 177.5 | -174.2 | 163.1 | 4.2 | 113.1 | Q584 D585 E587 L674 R676 K682 | Q584-R678 HydrophobicContact CG-CG 4Å; Q584-R678 VanDerWaalsContact O-CZ 3.22Å; Q584-R678 PolarHBondContact O-NE 2.86Å; Q584-R678 PolarHBondContact O-NH2 3.2Å; D585-R678 IonicContact OD1-NE 3.42Å; E587-R678 IonicContact OE2-CZ 3.55Å; E587-R678 IonicContact OE2-NH1 2.7Å; E587-R678 PolarHBondContact OE2-NH1 2.73Å; E587-R678 IonicContact OE2-NH2 3.48Å; E587-R678 PolarHBondContact OE2-NH2 2.9Å; L674-R678 WeakPolarHBondContact O-CB 3.42Å; L674-R678 WeakPolarHBondContact O-CG 3.35Å; L674-R678 PolarHBondContact O-N 2.83Å; R676-R678 VanDerWaalsContact C-N 3.31Å; R676-R678 PolarHBondContact O-N 2.88Å; R678-K682 WeakPolarHBondContact O-CB 3.39Å; R678-K682 WeakPolarHBondContact O-CG 3.32Å; R678-K682 PolarHBondContact O-N 2.89Å; R678-K682 VanDerWaalsContact O-N 3.12Å |
| 679 | H | 56.7 | Low | 53.5 | Low | 131 Ų | 131 | 85.3 Ų | 85.3 | 61% | 0.606 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69 | -45.9 | 174 | -96.7 | -74.5 | 0 | 0 | 0 | 112 | S675 R676 S677 R681 K682 T683 | S675-H679 PolarHBondContact O-CD2 3.02Å; S675-H679 PolarHBondContact O-N 3.18Å; R676-H679 WeakPolarHBondContact O-CA 3.38Å; R676-H679 WeakPolarHBondContact O-CB 3.34Å; R676-H679 PolarHBondContact O-N 3.27Å; S677-H679 VanDerWaalsContact C-N 3.35Å; S677-H679 PolarHBondContact O-N 3.49Å; H679-R681 VanDerWaalsContact C-N 3.33Å; H679-R681 PolarHBondContact O-N 3.22Å; H679-K682 CarbonylContact O-C 3.53Å; H679-K682 WeakPolarHBondContact O-CB 3.26Å; H679-K682 PolarHBondContact O-N 3.2Å; H679-K682 VanDerWaalsContact O-N 3.08Å; H679-T683 PolarHBondContact O-N 3.08Å; H679-T683 PolarHBondContact O-OG1 3Å |
| 680 | E | 53.6 | Low | 51.8 | Low | 81 Ų | 81 | 89.2 Ų | 89.2 | 38% | 0.379 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 177.3 | -71.5 | 166.4 | 165.7 | 0 | 0 | 110.8 | R676 S677 K682 T683 I684 | R676-E680 HydrophobicContact CG-CG 4.5Å; R676-E680 IonicContact CZ-OE1 2.61Å; R676-E680 VanDerWaalsContact CZ-OE1 3.29Å; R676-E680 IonicContact NE-OE1 2.71Å; R676-E680 PolarHBondContact NE-OE1 3.33Å; R676-E680 IonicContact NE-OE2 2.74Å; R676-E680 IonicContact NH2-OE1 3.81Å; R676-E680 PolarHBondContact NH2-OE1 3.42Å; R676-E680 PolarHBondContact O-N 3.49Å; S677-E680 PolarHBondContact O-N 2.81Å; E680-K682 PolarHBondContact O-N 3.4Å; E680-T683 WeakPolarHBondContact CA-OG1 3.45Å; E680-T683 PolarHBondContact O-N 3.46Å; E680-T683 PolarHBondContact O-OG1 2.84Å; E680-I684 WeakPolarHBondContact O-CG1 3.47Å; E680-I684 PolarHBondContact O-N 2.95Å; E680-I684 VanDerWaalsContact O-N 3.09Å |
| 681 | R | 47.6 | Very low | 49.6 | Very low | 123 Ų | 123 | 96.4 Ų | 96.4 | 46% | 0.464 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 172.4 | -149.8 | 173.1 | -170.9 | -162.6 | -1.7 | 112.1 | D585 S677 H679 I684 F685 | D585-R681 IonicContact OD2-NH1 3.46Å; D585-R681 PolarHBondContact OD2-NH1 3.13Å; S677-R681 WeakPolarHBondContact O-CB 3.47Å; S677-R681 PolarHBondContact O-N 2.92Å; H679-R681 VanDerWaalsContact C-N 3.33Å; H679-R681 PolarHBondContact O-N 3.22Å; R681-I684 PolarHBondContact O-N 2.61Å; R681-F685 HydrophobicContact CG-CD2 4.43Å; R681-F685 HydrophobicContact CG-CE2 4.5Å; R681-F685 WeakPolarHBondContact O-CD2 3.46Å; R681-F685 PolarHBondContact O-N 2.97Å |
| 682 | K | 46.8 | Very low | 47.5 | Very low | 145 Ų | 145 | 102.8 Ų | 102.8 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.8 | -29.6 | 176.6 | -78.4 | 175.4 | -179.4 | 177.1 | 0 | 114.1 | R678 H679 E680 R686 | R678-K682 WeakPolarHBondContact O-CB 3.39Å; R678-K682 WeakPolarHBondContact O-CG 3.32Å; R678-K682 PolarHBondContact O-N 2.89Å; R678-K682 VanDerWaalsContact O-N 3.12Å; H679-K682 CarbonylContact O-C 3.53Å; H679-K682 WeakPolarHBondContact O-CB 3.26Å; H679-K682 PolarHBondContact O-N 3.2Å; H679-K682 VanDerWaalsContact O-N 3.08Å; E680-K682 PolarHBondContact O-N 3.4Å; K682-R686 PolarHBondContact O-N 3.36Å |
| 683 | T | 44 | Very low | 45.7 | Very low | 92 Ų | 92 | 108.6 Ų | 108.6 | 56% | 0.564 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70.8 | -41.6 | 171 | 36.3 | 0 | 0 | 0 | 0 | 111.7 | H679 E680 F685 R686 S687 | H679-T683 PolarHBondContact O-N 3.08Å; H679-T683 PolarHBondContact O-OG1 3Å; E680-T683 WeakPolarHBondContact CA-OG1 3.45Å; E680-T683 PolarHBondContact O-N 3.46Å; E680-T683 PolarHBondContact O-OG1 2.84Å; T683-F685 PolarHBondContact O-N 2.7Å; T683-R686 WeakPolarHBondContact O-CA 3.27Å; T683-R686 PolarHBondContact O-N 2.62Å; T683-S687 PolarHBondContact O-N 3.29Å |
| 684 | I | 42.8 | Very low | 43.7 | Very low | 92 Ų | 92 | 112.9 Ų | 112.9 | 47% | 0.472 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.8 | -41.1 | 176.7 | -65.4 | 163.2 | 0 | 0 | 0 | 111.2 | E680 R681 R686 S687 N688 | E680-I684 WeakPolarHBondContact O-CG1 3.47Å; E680-I684 PolarHBondContact O-N 2.95Å; E680-I684 VanDerWaalsContact O-N 3.09Å; R681-I684 PolarHBondContact O-N 2.61Å; I684-R686 PolarHBondContact O-N 3.42Å; I684-S687 WeakPolarHBondContact CA-OG 3.37Å; I684-S687 PolarHBondContact O-N 3.45Å; I684-S687 PolarHBondContact O-OG 2.96Å; I684-N688 WeakPolarHBondContact O-CB 3.49Å; I684-N688 VanDerWaalsContact O-CG 3.24Å; I684-N688 PolarHBondContact O-N 3.09Å; I684-N688 VanDerWaalsContact O-N 3.11Å; I684-N688 PolarHBondContact O-OD1 3.1Å |
| 685 | F | 35 | Very low | 41.4 | Very low | 162 Ų | 162 | 120.1 Ų | 120.1 | 71% | 0.711 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.4 | -10.9 | 173.1 | -91.6 | -77.8 | 0 | 0 | 0 | 114.6 | R681 T683 | R681-F685 HydrophobicContact CG-CD2 4.43Å; R681-F685 HydrophobicContact CG-CE2 4.5Å; R681-F685 WeakPolarHBondContact O-CD2 3.46Å; R681-F685 PolarHBondContact O-N 2.97Å; T683-F685 PolarHBondContact O-N 2.7Å |
| 686 | R | 32.3 | Very low | 39.4 | Very low | 227 Ų | 227 | 125.9 Ų | 125.9 | 86% | 0.857 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -95 | -24.7 | 169.3 | -88.8 | -173.8 | 166.9 | -174 | -4 | 113.8 | K682 T683 I684 | K682-R686 PolarHBondContact O-N 3.36Å; T683-R686 WeakPolarHBondContact O-CA 3.27Å; T683-R686 PolarHBondContact O-N 2.62Å; I684-R686 PolarHBondContact O-N 3.42Å |
| 687 | S | 35.2 | Very low | 37.6 | Very low | 72 Ų | 72 | 126.8 Ų | 126.8 | 50% | 0.503 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -79.2 | -31.4 | 174.1 | 55 | 0 | 0 | 0 | 0 | 113.1 | T683 I684 N689 | T683-S687 PolarHBondContact O-N 3.29Å; I684-S687 WeakPolarHBondContact CA-OG 3.37Å; I684-S687 PolarHBondContact O-N 3.45Å; I684-S687 PolarHBondContact O-OG 2.96Å; S687-N689 PolarHBondContact O-N 2.93Å |
| 688 | N | 30.6 | Very low | 35.7 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 63% | 0.626 | 67% | 0.671 | S | S | * | * | trans | -80.8 | 21.7 | -167.9 | -68.6 | 11 | 0 | 0 | 0 | 115.1 | I684 | I684-N688 WeakPolarHBondContact O-CB 3.49Å; I684-N688 VanDerWaalsContact O-CG 3.24Å; I684-N688 PolarHBondContact O-N 3.09Å; I684-N688 VanDerWaalsContact O-N 3.11Å; I684-N688 PolarHBondContact O-OD1 3.1Å | ||
| 689 | N | 30.8 | Very low | 33.8 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 86% | 0.856 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -102.1 | 33.4 | 179.4 | -135.1 | 17.4 | 0 | 0 | 0 | 113 | S687 | S687-N689 PolarHBondContact O-N 2.93Š|
| 690 | S | 27.6 | Very low | 32.2 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -152.5 | 104.3 | 170.9 | 58.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 691 | N | 27.7 | Very low | 30.9 | Very low | 150 Ų | 150 | 137.2 Ų | 137.2 | 80% | 0.802 | 73% | 0.726 | S | S | * | * | trans | 33 | 95.9 | 154.8 | -58.8 | -5 | 0 | 0 | 0 | 119.7 | ||||
| 692 | N | 27.2 | Very low | 30 | Very low | 157 Ų | 157 | 135 Ų | 135 | 84% | 0.84 | 73% | 0.727 | S | S | * | * | 163.5 | 149.8 | 101.3 | -84.5 | -26.1 | 0 | 0 | 0 | 113.7 | T694 | N692-T694 PolarHBondContact O-N 3.44Š| |||
| 693 | N | 27.4 | Very low | 28.9 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 86% | 0.861 | 74% | 0.735 | S | S | * | * | trans | -84.7 | 105.1 | 176.9 | -68.8 | -29.3 | 0 | 0 | 0 | 111.9 | ||||
| 694 | T | 24.8 | Very low | 28 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | 179.2 | 87 | 139.2 | 27.3 | 0 | 0 | 0 | 0 | 112.5 | N692 | N692-T694 PolarHBondContact O-N 3.44Š| ||
| 695 | L | 24.9 | Very low | 27.4 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | trans | -173.8 | 114.6 | 135.1 | -124.7 | 75.1 | 0 | 0 | 0 | 109.4 | ||||
| 696 | M | 23.8 | Very low | 27.1 | Very low | 174 Ų | 174 | 135.5 Ų | 135.5 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | trans | -105.4 | 154.9 | 154.7 | -86.1 | -74.1 | -171 | 0 | 0 | 107 | ||||
| 697 | N | 24 | Very low | 27.1 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 81% | 0.807 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 75.5 | 65.1 | -179.2 | -49 | -16.9 | 0 | 0 | 0 | 116.8 | ||
| 698 | T | 23.7 | Very low | 26.6 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -179.2 | 82 | 141.9 | 32.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 699 | A | 23 | Very low | 26.6 | Very low | 95 Ų | 95 | 133 Ų | 133 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -158.9 | 38.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 700 | L | 24.3 | Very low | 26.6 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 80% | 0.796 | 71% | 0.711 | S | S | * | * | trans | -135.4 | 43.5 | 175.7 | -78.3 | -179.7 | 0 | 0 | 0 | 114.3 | M581 | M581-L700 HydrophobicContact SD-CD1 3.95Š| ||
| 701 | L | 24.7 | Very low | 26.8 | Very low | 145 Ų | 145 | 129.6 Ų | 129.6 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -135.3 | 137.3 | 157.6 | -83.5 | 173.3 | 0 | 0 | 0 | 109.1 | E703 | L701-E703 VanDerWaalsContact C-N 3.26Å; L701-E703 PolarHBondContact O-N 3.16Å |
| 702 | P | 28.5 | Very low | 26.8 | Very low | 76 Ų | 76 | 128.3 Ų | 128.3 | 49% | 0.494 | 69% | 0.694 | S | S | . | * | trans | -75.9 | 82.7 | 167.8 | 32.1 | -33 | 0 | 0 | 0 | 109.3 | N704 I705 | P702-N704 PolarHBondContact O-N 2.72Å; P702-I705 HydrophobicContact CG-CD1 4.22Å; P702-I705 HydrophobicContact CG-CG1 4.31Å; P702-I705 PolarHBondContact O-N 2.85Å; P702-I705 VanDerWaalsContact O-N 3.11Å | ||
| 703 | E | 23.7 | Very low | 26.8 | Very low | 173 Ų | 173 | 128.7 Ų | 128.7 | 81% | 0.808 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.8 | 131.3 | 157.9 | -65 | -173.8 | 158.6 | 0 | 0 | 107.8 | L701 | L701-E703 VanDerWaalsContact C-N 3.26Å; L701-E703 PolarHBondContact O-N 3.16Å |
| 704 | N | 26.5 | Very low | 26.9 | Very low | 155 Ų | 155 | 126.1 Ų | 126.1 | 83% | 0.829 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.6 | 32 | -164.5 | -46.4 | -77.8 | 0 | 0 | 0 | 117.3 | P702 N706 | P702-N704 PolarHBondContact O-N 2.72Å; N704-N706 VanDerWaalsContact C-N 3.28Å; N704-N706 PolarHBondContact O-N 3.02Å |
| 705 | I | 29.3 | Very low | 27.1 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 46% | 0.456 | 67% | 0.669 | S | S | . | * | -77.5 | 94.3 | 126.7 | -57.2 | -178.6 | 0 | 0 | 0 | 106.5 | P702 Y707 | P702-I705 HydrophobicContact CG-CD1 4.22Å; P702-I705 HydrophobicContact CG-CG1 4.31Å; P702-I705 PolarHBondContact O-N 2.85Å; P702-I705 VanDerWaalsContact O-N 3.11Å; I705-Y707 HydrophobicContact CB-CD2 4.27Å; I705-Y707 HydrophobicContact CB-CE2 3.85Å; I705-Y707 HydrophobicContact CG2-CD1 4.38Å; I705-Y707 HydrophobicContact CG2-CD2 3.8Å; I705-Y707 HydrophobicContact CG2-CE1 4.08Å; I705-Y707 HydrophobicContact CG2-CE2 3.45Å; I705-Y707 VanDerWaalsContact CG2-CE2 3.45Å; I705-Y707 HydrophobicContact CG2-CG 4.25Å; I705-Y707 VanDerWaalsContact O-CD2 3.32Å; I705-Y707 WeakPolarHBondContact O-CD2 3.27Å; I705-Y707 PolarHBondContact O-N 3.28Å | |||
| 706 | N | 28.3 | Very low | 27.3 | Very low | 85 Ų | 85 | 127.9 Ų | 127.9 | 46% | 0.455 | 67% | 0.665 | S | S | . | * | trans | -76.2 | 89.1 | 178.2 | -173.8 | -19.3 | 0 | 0 | 0 | 109.3 | N704 D708 V709 | N704-N706 VanDerWaalsContact C-N 3.28Å; N704-N706 PolarHBondContact O-N 3.02Å; N706-D708 VanDerWaalsContact C-N 3.27Å; N706-D708 PolarHBondContact O-N 3.31Å; N706-D708 PolarHBondContact OD1-N 2.96Å; N706-V709 HydrophobicContact CB-CG2 4.35Å; N706-V709 PolarHBondContact OD1-N 3.45Å | ||
| 707 | Y | 32.3 | Very low | 27.6 | Very low | 136 Ų | 136 | 125.8 Ų | 125.8 | 53% | 0.533 | 66% | 0.657 | S | S | . | * | trans | -66.5 | -26.9 | 179 | -77.3 | -80.9 | 0 | 0 | 0 | 112.8 | I705 V709 V710 F711 | I705-Y707 HydrophobicContact CB-CD2 4.27Å; I705-Y707 HydrophobicContact CB-CE2 3.85Å; I705-Y707 HydrophobicContact CG2-CD1 4.38Å; I705-Y707 HydrophobicContact CG2-CD2 3.8Å; I705-Y707 HydrophobicContact CG2-CE1 4.08Å; I705-Y707 HydrophobicContact CG2-CE2 3.45Å; I705-Y707 VanDerWaalsContact CG2-CE2 3.45Å; I705-Y707 HydrophobicContact CG2-CG 4.25Å; I705-Y707 VanDerWaalsContact O-CD2 3.32Å; I705-Y707 WeakPolarHBondContact O-CD2 3.27Å; I705-Y707 PolarHBondContact O-N 3.28Å; Y707-V709 VanDerWaalsContact C-N 3.25Å; Y707-V709 PolarHBondContact O-N 2.85Å; Y707-V710 WeakPolarHBondContact O-CB 3.5Å; Y707-V710 PolarHBondContact O-N 3.02Å; Y707-F711 VanDerWaalsContact O-CD2 3.3Å; Y707-F711 WeakPolarHBondContact O-CD2 3.36Å | ||
| 708 | D | 26.1 | Very low | 27.8 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 65% | 0.647 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -64.2 | -31.7 | -177.1 | -56.1 | -44.7 | 0 | 0 | 0 | 112 | N706 V710 F711 D712 | N706-D708 VanDerWaalsContact C-N 3.27Å; N706-D708 PolarHBondContact O-N 3.31Å; N706-D708 PolarHBondContact OD1-N 2.96Å; D708-V710 PolarHBondContact O-N 3.31Å; D708-V710 VanDerWaalsContact O-N 3.12Å; D708-F711 PolarHBondContact O-N 2.92Å; D708-D712 PolarHBondContact O-N 3.39Å |
| 709 | V | 29.9 | Very low | 27.9 | Very low | 106 Ų | 106 | 128 Ų | 128 | 64% | 0.642 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -62.6 | -16.5 | 173.8 | 173.4 | 0 | 0 | 0 | 0 | 113.2 | N706 Y707 | N706-V709 HydrophobicContact CB-CG2 4.35Å; N706-V709 PolarHBondContact OD1-N 3.45Å; Y707-V709 VanDerWaalsContact C-N 3.25Å; Y707-V709 PolarHBondContact O-N 2.85Å |
| 710 | V | 31.4 | Very low | 28 | Very low | 83 Ų | 83 | 131.1 Ų | 131.1 | 50% | 0.503 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -92 | -22.7 | 173.6 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | Y707 D708 | Y707-V710 WeakPolarHBondContact O-CB 3.5Å; Y707-V710 PolarHBondContact O-N 3.02Å; D708-V710 PolarHBondContact O-N 3.31Å; D708-V710 VanDerWaalsContact O-N 3.12Å |
| 711 | F | 30.3 | Very low | 28 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 43% | 0.425 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -94.1 | -27.5 | -174.5 | -74.7 | -69.3 | 0 | 0 | 0 | 114.8 | Y707 D708 Y713 N714 | Y707-F711 VanDerWaalsContact O-CD2 3.3Å; Y707-F711 WeakPolarHBondContact O-CD2 3.36Å; D708-F711 PolarHBondContact O-N 2.92Å; F711-Y713 PolarHBondContact O-N 3.07Å; F711-Y713 VanDerWaalsContact O-N 3.13Å; F711-N714 PolarHBondContact O-N 3.47Å |
| 712 | D | 27.7 | Very low | 28 | Very low | 123 Ų | 123 | 130 Ų | 130 | 66% | 0.658 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -60.1 | -24.8 | -179.4 | -108.8 | -9.4 | 0 | 0 | 0 | 114 | D708 N714 | D708-D712 PolarHBondContact O-N 3.39Å; D712-N714 VanDerWaalsContact C-N 3.3Å; D712-N714 PolarHBondContact O-N 3.04Å |
| 713 | Y | 28.4 | Very low | 28 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 65% | 0.651 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -72.8 | -18 | -175.6 | -132.6 | -95.1 | 0 | 0 | 0 | 114.5 | F711 | F711-Y713 PolarHBondContact O-N 3.07Å; F711-Y713 VanDerWaalsContact O-N 3.13Å |
| 714 | N | 30.1 | Very low | 28.2 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 57% | 0.572 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -84.9 | -16.1 | -177 | -80.3 | -53.6 | 0 | 0 | 0 | 114.3 | F711 D712 | F711-N714 PolarHBondContact O-N 3.47Å; D712-N714 VanDerWaalsContact C-N 3.3Å; D712-N714 PolarHBondContact O-N 3.04Å |
| 715 | Q | 28.8 | Very low | 28.2 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -80.3 | -19.2 | 176.4 | -68.5 | -165.8 | 14 | 0 | 0 | 113.5 | ||
| 716 | Q | 28.5 | Very low | 28.1 | Very low | 156 Ų | 156 | 138 Ų | 138 | 73% | 0.729 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -85.8 | -9.4 | -178.5 | -64.8 | -169 | -4.2 | 0 | 0 | 114.3 | ||
| 717 | L | 29.7 | Very low | 28 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -89.7 | -5.7 | -177 | -79.9 | 166.3 | 0 | 0 | 0 | 115.1 | ||
| 718 | Q | 27.8 | Very low | 27.6 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -86.2 | -3.9 | 176.9 | -71.9 | -173.1 | -18.3 | 0 | 0 | 114.3 | ||
| 719 | H | 27 | Very low | 27.5 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.815 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -123.5 | 60.9 | 178.9 | -89.9 | -56.9 | 0 | 0 | 0 | 113.5 | ||
| 720 | N | 25.4 | Very low | 27.4 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 86% | 0.856 | 73% | 0.727 | S | S | * | * | trans | -165.8 | 117.3 | 145.2 | -102.7 | -43 | 0 | 0 | 0 | 112.5 | N722 | N720-N722 PolarHBondContact O-N 3.31Š| ||
| 721 | S | 23.4 | Very low | 27.1 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | trans | -89.8 | 87.9 | 176.1 | 40 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 722 | N | 25.1 | Very low | 26.9 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | trans | -162.4 | 145.4 | 157.9 | -95.3 | -45.9 | 0 | 0 | 0 | 111.7 | N720 | N720-N722 PolarHBondContact O-N 3.31Š| ||
| 723 | F | 28.4 | Very low | 26.7 | Very low | 213 Ų | 213 | 146.8 Ų | 146.8 | 93% | 0.934 | 75% | 0.753 | S | S | * | * | trans | -72.2 | 140.3 | 177.2 | -82.7 | -103.1 | 0 | 0 | 0 | 112.7 | ||||
| 724 | P | 28.3 | Very low | 26.5 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -122 | 158.8 | 156.5 | 37.4 | -26.1 | 0 | 0 | 0 | 113.2 | ||||
| 725 | D | 25.2 | Very low | 26.3 | Very low | 157 Ų | 157 | 146.7 Ų | 146.7 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -65.8 | 136.1 | -176.2 | -72.4 | -69.3 | 0 | 0 | 0 | 115 | N727 | D725-N727 VanDerWaalsContact C-N 3.3Å; D725-N727 PolarHBondContact O-N 2.98Å | ||
| 726 | L | 27.8 | Very low | 26 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 93% | 0.927 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -78.6 | 71.4 | 173.8 | -74.2 | 169 | 0 | 0 | 0 | 112.1 | ||
| 727 | N | 25.3 | Very low | 25.8 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | trans | -144.8 | 23.4 | 166.3 | -104.5 | -49.5 | 0 | 0 | 0 | 113.2 | D725 | D725-N727 VanDerWaalsContact C-N 3.3Å; D725-N727 PolarHBondContact O-N 2.98Å | ||
| 728 | A | 25.7 | Very low | 25.5 | Very low | 85 Ų | 85 | 144.3 Ų | 144.3 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 141.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 729 | K | 23.7 | Very low | 25.2 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 60% | 0.604 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 157.1 | 166.3 | -68.9 | 174.1 | 169.3 | -179.4 | 0 | 111 | I731 E733 | K729-I731 PolarHBondContact O-N 3.31Å; K729-E733 VanDerWaalsContact CD-OE2 3.31Å; K729-E733 WeakPolarHBondContact CD-OE2 3.23Å; K729-E733 IonicContact NZ-OE1 2.68Å; K729-E733 IonicContact NZ-OE2 2.69Å; K729-E733 PolarHBondContact NZ-OE2 3.41Å |
| 730 | P | 26.4 | Very low | 25.2 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 62% | 0.623 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 124.1 | 161 | 25.4 | -34 | 0 | 0 | 0 | 109.7 | F732 | P730-F732 VanDerWaalsContact C-N 3.33Å; P730-F732 PolarHBondContact O-N 3.21Å |
| 731 | I | 26.3 | Very low | 25.1 | Very low | 135 Ų | 135 | 140 Ų | 140 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -80 | 81.9 | -170.1 | -56.1 | 179.8 | 0 | 0 | 0 | 110.1 | K729 | K729-I731 PolarHBondContact O-N 3.31Š|
| 732 | F | 26.4 | Very low | 25.2 | Very low | 190 Ų | 190 | 140.9 Ų | 140.9 | 83% | 0.833 | 77% | 0.766 | S | S | * | * | trans | -119.8 | 15.7 | 163.7 | -81.3 | -69.9 | 0 | 0 | 0 | 112.5 | P730 | P730-F732 VanDerWaalsContact C-N 3.33Å; P730-F732 PolarHBondContact O-N 3.21Å | ||
| 733 | E | 22.5 | Very low | 25.2 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 59% | 0.593 | 76% | 0.757 | S | S | * | * | trans | -121.1 | 74.8 | 176.3 | -70.3 | -175.4 | 126.3 | 0 | 0 | 111.5 | K729 | K729-E733 VanDerWaalsContact CD-OE2 3.31Å; K729-E733 WeakPolarHBondContact CD-OE2 3.23Å; K729-E733 IonicContact NZ-OE1 2.68Å; K729-E733 IonicContact NZ-OE2 2.69Å; K729-E733 PolarHBondContact NZ-OE2 3.41Å | ||
| 734 | N | 23.9 | Very low | 25.2 | Very low | 137 Ų | 137 | 137 Ų | 137 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -172.2 | 81.7 | 148.4 | -102.4 | -35.5 | 0 | 0 | 0 | 113.3 | ||||
| 735 | V | 25.8 | Very low | 24.9 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -123.5 | 101.6 | 140.7 | 177.1 | 0 | 0 | 0 | 0 | 106.6 | C737 | V735-C737 PolarHBondContact O-N 3.31Š| ||
| 736 | N | 23.3 | Very low | 25.4 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 65% | 0.652 | 75% | 0.745 | S | S | * | * | trans | -75.7 | 89.7 | 177.5 | -107.9 | -39.1 | 0 | 0 | 0 | 109.9 | Q738 | N736-Q738 PolarHBondContact O-N 3.43Å; N736-Q738 VanDerWaalsContact O-N 3.08Å | ||
| 737 | C | 23.9 | Very low | 25.3 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 78% | 0.784 | 74% | 0.736 | S | S | * | * | trans | -77.7 | 77.1 | 156.8 | -68.4 | 0 | 0 | 0 | 0 | 108.6 | V735 | V735-C737 PolarHBondContact O-N 3.31Š| ||
| 738 | Q | 23.8 | Very low | 25.2 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 77% | 0.771 | 73% | 0.731 | S | S | * | * | trans | -63.1 | 142.9 | 172.1 | -81.2 | -168.7 | -18.7 | 0 | 0 | 110.8 | N736 | N736-Q738 PolarHBondContact O-N 3.43Å; N736-Q738 VanDerWaalsContact O-N 3.08Å | ||
| 739 | T | 22 | Very low | 25 | Very low | 138 Ų | 138 | 136 Ų | 136 | 85% | 0.847 | 73% | 0.73 | S | S | * | * | trans | -77.1 | 119.4 | -177.2 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 740 | S | 26.8 | Very low | 25.1 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -147.2 | 87.8 | 159.3 | 64 | 0 | 0 | 0 | 0 | 112 | ||||
| 741 | N | 23.8 | Very low | 24.9 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | trans | 17.7 | 140.2 | 145.6 | -63.9 | -0.5 | 0 | 0 | 0 | 121.2 | ||||
| 742 | N | 24.8 | Very low | 24.8 | Very low | 136 Ų | 136 | 140.4 Ų | 140.4 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | 96.5 | 120.6 | 145 | -80 | 40.4 | 0 | 0 | 0 | 121.5 | ||||
| 743 | D | 24.9 | Very low | 24.7 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 65% | 0.652 | 74% | 0.74 | S | S | * | * | trans | 87.9 | 103 | 135.4 | -69.7 | -46.9 | 0 | 0 | 0 | 122.8 | ||||
| 744 | H | 27.9 | Very low | 24.8 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 78% | 0.778 | 75% | 0.753 | S | S | * | * | trans | 117.6 | 136.7 | 133.8 | -70.6 | 16.1 | 0 | 0 | 0 | 120 | ||||
| 745 | L | 22.3 | Very low | 24.8 | Very low | 161 Ų | 161 | 143 Ų | 143 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | -105.4 | -176.4 | -176.8 | -95.7 | 96.6 | 0 | 0 | 0 | 109.8 | ||||
| 746 | P | 36 | Very low | 24.8 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | cis | -139.8 | 175.2 | -20.6 | 37.6 | -18.3 | 0 | 0 | 0 | 116.4 | ||||
| 747 | D | 24.9 | Very low | 24.9 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 51 | 129.8 | 132.4 | -72.4 | -8.9 | 0 | 0 | 0 | 128 | ||||
| 748 | L | 24.4 | Very low | 24.9 | Very low | 146 Ų | 146 | 142.3 Ų | 142.3 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | 92.6 | 132.4 | 129.6 | -70.2 | 165.9 | 0 | 0 | 0 | 124.2 | |||||
| 749 | L | 22.1 | Very low | 25 | Very low | 129 Ų | 129 | 140 Ų | 140 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | trans | 71.3 | 123.8 | 149 | -93.4 | 82.4 | 0 | 0 | 0 | 123.4 | ||||
| 750 | Y | 24.7 | Very low | 25.3 | Very low | 200 Ų | 200 | 139 Ų | 139 | 78% | 0.784 | 75% | 0.748 | S | S | * | * | trans | 67.7 | 148.4 | 133.7 | -84.1 | -127.2 | 0 | 0 | 0 | 119 | ||||
| 751 | D | 22.4 | Very low | 25.4 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | cis | -160.2 | 174.6 | -9.1 | -153.9 | -9.7 | 0 | 0 | 0 | 110.7 | ||||
| 752 | I | 24.6 | Very low | 25.6 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | trans | 72.8 | 144.5 | 155.2 | -70 | 158.1 | 0 | 0 | 0 | 119.3 | ||||
| 753 | K | 23.4 | Very low | 25.9 | Very low | 184 Ų | 184 | 140 Ų | 140 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | trans | -83.2 | 146.8 | 179.5 | -46.2 | 160.9 | -176.6 | 174.5 | 0 | 111.5 | ||||
| 754 | T | 25.9 | Very low | 26.1 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | 173 | 177.1 | 113.4 | 38.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 755 | E | 24.1 | Very low | 26.4 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | trans | -80.7 | 147.2 | -162.6 | -60.4 | 161.3 | 127.6 | 0 | 0 | 115.2 | ||||
| 756 | S | 25.8 | Very low | 26.7 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | 18.4 | 118.6 | 153 | 60.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 757 | S | 23.7 | Very low | 26.3 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | 166.2 | 158.2 | 61.6 | 48.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 758 | I | 25.4 | Very low | 26.6 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 77% | 0.774 | 75% | 0.747 | S | S | * | * | trans | 81.3 | 132.3 | 152.1 | -68 | 156.5 | 0 | 0 | 0 | 121.1 | ||||
| 759 | T | 25.6 | Very low | 26.9 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | trans | 80.4 | 104.3 | 161.4 | 39.5 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 760 | T | 27.7 | Very low | 27.3 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | 80.8 | 117.6 | 128 | 52 | 0 | 0 | 0 | 0 | 126.2 | |||||
| 761 | N | 28.7 | Very low | 27.4 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | 86.2 | 93 | 129.2 | -64 | -7.7 | 0 | 0 | 0 | 124.9 | |||||
| 762 | N | 28.2 | Very low | 27.5 | Very low | 136 Ų | 136 | 138 Ų | 138 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | 39.6 | 122.4 | 121.5 | -56.6 | -17.6 | 0 | 0 | 0 | 123.6 | |||||
| 763 | N | 30.6 | Very low | 27.6 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | 161 | 117.2 | 103.7 | -88.1 | -51.9 | 0 | 0 | 0 | 119.1 | |||||
| 764 | K | 29.7 | Very low | 27.8 | Very low | 195 Ų | 195 | 135.2 Ų | 135.2 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | 65.3 | 162.1 | 127.3 | -81.8 | -165.6 | 169.4 | -179 | 0 | 124.2 | |||||
| 765 | P | 34.6 | Very low | 27.8 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | trans | -143 | -165.6 | -137.4 | 44.4 | -23.4 | 0 | 0 | 0 | 119 | ||||
| 766 | S | 27.7 | Very low | 28 | Very low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | 120.1 | 125.8 | 133.9 | 71.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 767 | T | 29.2 | Very low | 28 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | trans | 67.8 | 164.7 | 148 | 63.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 768 | H | 29.8 | Very low | 27.9 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | cis | -159.2 | 170.3 | 14.7 | -142.5 | -77.9 | 0 | 0 | 0 | 114.2 | ||||
| 769 | N | 32 | Very low | 28 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | trans | 81.9 | 147.8 | 160.9 | -63.4 | -29.5 | 0 | 0 | 0 | 120.2 | ||||
| 770 | Q | 30 | Very low | 27.8 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | cis | -154.3 | 178.5 | -2.1 | -125.7 | 173.5 | 22.2 | 0 | 0 | 113.6 | ||||
| 771 | L | 25.9 | Very low | 27.5 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | -126.5 | 149 | -167.3 | -79.2 | 87 | 0 | 0 | 0 | 117.5 | ||||
| 772 | S | 25.1 | Very low | 27.4 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | 69.1 | 164.1 | 141.4 | 76.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 773 | S | 26.4 | Very low | 27 | Very low | 80 Ų | 80 | 137.1 Ų | 137.1 | 56% | 0.559 | 77% | 0.766 | S | S | * | * | cis | -173.5 | 174.5 | 33.6 | 60.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 774 | K | 27 | Very low | 27 | Very low | 191 Ų | 191 | 135.4 Ų | 135.4 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | 75.3 | 153.3 | 149.2 | -75.7 | 166.6 | -171.6 | 169.6 | 0 | 119.4 | ||||
| 775 | S | 26.7 | Very low | 26.6 | Very low | 99 Ų | 99 | 130.7 Ų | 130.7 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | cis | -176.6 | 172.7 | -8.5 | 46.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 776 | V | 28.4 | Very low | 26.1 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | trans | 102.3 | 150.4 | 155.3 | -172.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 777 | H | 25.2 | Very low | 26 | Very low | 173 Ų | 173 | 130.5 Ų | 130.5 | 80% | 0.801 | 76% | 0.755 | S | S | * | * | trans | -117.2 | 169 | -169.3 | -88 | -73.9 | 0 | 0 | 0 | 114 | ||||
| 778 | S | 23 | Very low | 25.7 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | 67.5 | 164.2 | 151.3 | 76.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 779 | S | 26.2 | Very low | 25.6 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | cis | -148.4 | 178.5 | 15.5 | -34.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 780 | E | 20.8 | Very low | 25.2 | Very low | 185 Ų | 185 | 127.1 Ų | 127.1 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -88.3 | 176.5 | -176.1 | -57.7 | 169.8 | 104.9 | 0 | 0 | 115.5 | ||||
| 781 | C | 21.4 | Very low | 24.8 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | 107.4 | 155.1 | 144.9 | -73.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 782 | V | 26.6 | Very low | 24.8 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | 96.4 | 136.5 | 163.9 | -163.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 783 | L | 21.5 | Very low | 24.8 | Very low | 157 Ų | 157 | 126.8 Ų | 126.8 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -80 | -177.7 | 178.9 | -66.3 | 161.9 | 0 | 0 | 0 | 110.6 | ||||
| 784 | P | 29.1 | Very low | 24.8 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | cis | -142.4 | -179.5 | 11.5 | 39.4 | -17.4 | 0 | 0 | 0 | 117.8 | ||||
| 785 | S | 22.6 | Very low | 24.8 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | trans | 54.4 | 125.3 | 143.4 | 62.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 786 | S | 23.2 | Very low | 24.7 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | 82.6 | 152.7 | 135.2 | 75.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 787 | S | 25.2 | Very low | 24.7 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | trans | 58.4 | 115.9 | 162.2 | 58.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 788 | S | 23.4 | Very low | 24.8 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | 58.8 | 147.1 | 118.3 | -47.3 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 789 | P | 28.1 | Very low | 25 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -101.8 | 169.4 | -175.9 | 40.4 | -37.1 | 0 | 0 | 0 | 115.9 | ||||
| 790 | S | 22.6 | Very low | 25.1 | Very low | 91 Ų | 91 | 128.7 Ų | 128.7 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | trans | 86 | 153.9 | 139.8 | 71.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 791 | F | 23.4 | Very low | 25.3 | Very low | 189 Ų | 189 | 129.8 Ų | 129.8 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | 74.5 | 151.1 | 173.1 | -63.6 | -71.3 | 0 | 0 | 0 | 116.3 | ||||
| 792 | S | 25.7 | Very low | 25.5 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | cis | -142.7 | 131 | 37.2 | 59.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 793 | I | 24.5 | Very low | 25.6 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 74% | 0.744 | 75% | 0.747 | S | S | * | * | 95.8 | 118.7 | 98.5 | -71.2 | 172.8 | 0 | 0 | 0 | 115 | |||||
| 794 | V | 26.3 | Very low | 25.7 | Very low | 134 Ų | 134 | 128.1 Ų | 128.1 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | trans | 171.8 | 129.9 | 139.9 | 144.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 795 | S | 26.8 | Very low | 25.5 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | cis | -158.8 | -154.2 | -8 | 57 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 796 | E | 25.5 | Very low | 25.6 | Very low | 157 Ų | 157 | 131 Ų | 131 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | trans | -46.9 | 163.1 | 171.4 | -67.8 | -172.7 | 101 | 0 | 0 | 117.6 | ||||
| 797 | Q | 28.4 | Very low | 25.6 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 63% | 0.631 | 74% | 0.735 | S | S | * | * | cis | -157.2 | 147.3 | 14.4 | -135.8 | 169.8 | 53 | 0 | 0 | 114.9 | ||||
| 798 | Q | 26.9 | Very low | 25.7 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | trans | 68.5 | 137.4 | 143.2 | -88.8 | 177 | 43.3 | 0 | 0 | 126.5 | ||||
| 799 | F | 26.2 | Very low | 25.7 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | trans | 54.1 | 121.9 | 154.4 | -70.6 | -67.6 | 0 | 0 | 0 | 123 | ||||
| 800 | G | 28.4 | Very low | 25.6 | Very low | 77 Ų | 77 | 141.6 Ų | 141.6 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | -177 | -7.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 801 | K | 26.6 | Very low | 25.7 | Very low | 208 Ų | 208 | 148.7 Ų | 148.7 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | trans | 59.3 | 77.3 | 177.8 | -70.7 | -172.5 | 175.8 | 179.8 | 0 | 117.8 | ||||
| 802 | F | 23.6 | Very low | 25.7 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 77% | 0.768 | 76% | 0.757 | S | S | * | * | trans | -62 | 176 | 139.3 | -85.6 | -65.2 | 0 | 0 | 0 | 111.5 | T804 | F802-T804 HydrophobicContact CD1-CG2 3.63Å; F802-T804 WeakPolarHBondContact CD1-OG1 3.34Å; F802-T804 HydrophobicContact CE1-CG2 3.74Å | ||
| 803 | P | 29.1 | Very low | 25.6 | Very low | 113 Ų | 113 | 151.4 Ų | 151.4 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | cis | -127.4 | 172.4 | 13.4 | 46.8 | -31.8 | 0 | 0 | 0 | 114.4 | ||||
| 804 | T | 25.1 | Very low | 25.8 | Very low | 90 Ų | 90 | 149.3 Ų | 149.3 | 55% | 0.552 | 77% | 0.774 | S | S | * | * | cis | 67.5 | 152.2 | 30.2 | 63.1 | 0 | 0 | 0 | 0 | 114.8 | F802 | F802-T804 HydrophobicContact CD1-CG2 3.63Å; F802-T804 WeakPolarHBondContact CD1-OG1 3.34Å; F802-T804 HydrophobicContact CE1-CG2 3.74Å | ||
| 805 | L | 23.9 | Very low | 25.6 | Very low | 141 Ų | 141 | 148.8 Ų | 148.8 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | cis | -149.9 | -174.7 | 2 | -154.9 | 80 | 0 | 0 | 0 | 109.6 | ||||
| 806 | N | 24.3 | Very low | 25.5 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 65% | 0.647 | 78% | 0.777 | S | S | * | * | trans | 85.9 | 112.3 | 157.1 | -78 | -41.5 | 0 | 0 | 0 | 121.3 | ||||
| 807 | N | 23.9 | Very low | 25.3 | Very low | 135 Ų | 135 | 147.5 Ų | 147.5 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | 37.5 | 111.1 | 117.1 | -65 | -51.6 | 0 | 0 | 0 | 119.3 | |||||
| 808 | H | 27.1 | Very low | 25 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | -166.5 | 167.7 | 109.7 | -118 | -94 | 0 | 0 | 0 | 112.4 | |||||
| 809 | M | 24.5 | Very low | 24.8 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 83% | 0.833 | 79% | 0.787 | S | S | * | * | trans | -72.8 | 155.2 | 171.3 | -66.3 | -155.6 | -72 | 0 | 0 | 112.2 | ||||
| 810 | L | 24.2 | Very low | 24.7 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | 70.8 | 122.4 | -164.7 | -49.1 | 161.2 | 0 | 0 | 0 | 110.4 | ||||
| 811 | R | 25.5 | Very low | 24.5 | Very low | 239 Ų | 239 | 148.3 Ų | 148.3 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | cis | -141.8 | 165.3 | 16.4 | -78.8 | 175.6 | 173.7 | 165.5 | -3.9 | 108.3 | ||||
| 812 | S | 23.8 | Very low | 24.5 | Very low | 101 Ų | 101 | 146.5 Ų | 146.5 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | cis | -167 | 145 | -4.5 | 40.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 813 | Y | 23.9 | Very low | 24.5 | Very low | 246 Ų | 246 | 143.6 Ų | 143.6 | 97% | 0.965 | 78% | 0.782 | S | S | * | * | trans | -144.2 | 94.4 | 151.1 | -118.3 | -75.2 | 0 | 0 | 0 | 108.5 | ||||
| 814 | A | 27.9 | Very low | 24.6 | Very low | 101 Ų | 101 | 144 Ų | 144 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | -163.9 | 84.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 815 | S | 23 | Very low | 24.6 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -145.7 | 143.6 | 144.7 | -163.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 816 | S | 23.8 | Very low | 24.8 | Very low | 104 Ų | 104 | 148 Ų | 148 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -93.9 | 164.9 | 163.2 | -159.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 817 | V | 22.1 | Very low | 24.9 | Very low | 128 Ų | 128 | 151.4 Ų | 151.4 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | S | Bend | trans | 62.4 | 130.8 | 164.7 | 179.3 | 0 | 0 | 0 | 0 | 117.5 | ||
| 818 | A | 22 | Very low | 25 | Very low | 80 Ų | 80 | 153.9 Ų | 153.9 | 66% | 0.661 | 82% | 0.823 | S | S | * | * | trans | 69.6 | 134.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 819 | E | 22 | Very low | 24.9 | Very low | 173 Ų | 173 | 154.9 Ų | 154.9 | 81% | 0.808 | 83% | 0.825 | S | S | * | * | trans | 37.1 | 114.8 | 136 | -61 | 176.2 | 120.4 | 0 | 0 | 120.6 | ||||
| 820 | I | 23.9 | Very low | 24.9 | Very low | 147 Ų | 147 | 154.9 Ų | 154.9 | 75% | 0.754 | 83% | 0.828 | S | S | * | * | S | Bend | 40.2 | 91.3 | 123.7 | -50.4 | 178.6 | 0 | 0 | 0 | 116.3 | |||
| 821 | M | 24.7 | Very low | 24.9 | Very low | 165 Ų | 165 | 151 Ų | 151 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | trans | 71.4 | 138.5 | 152.1 | -53 | -173.4 | -167.8 | 0 | 0 | 120.1 | ||||
| 822 | M | 26.7 | Very low | 24.9 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 83% | 0.833 | 81% | 0.808 | S | S | * | * | trans | 79 | 92.8 | 154.2 | -53.3 | -129 | 177.9 | 0 | 0 | 120.4 | ||||
| 823 | S | 24.1 | Very low | 25.2 | Very low | 114 Ų | 114 | 147 Ų | 147 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | 74.2 | 145.4 | 125 | -55.7 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 824 | P | 30.2 | Very low | 25.4 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | trans | -126.4 | 161.9 | -160.2 | 41.2 | -25.9 | 0 | 0 | 0 | 116.8 | ||||
| 825 | S | 26.2 | Very low | 25.4 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | trans | -170.6 | 160.9 | 144.5 | 30.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 826 | H | 28 | Very low | 25.7 | Very low | 189 Ų | 189 | 142 Ų | 142 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | trans | -44.7 | 149.3 | -169.7 | -80.6 | -108.2 | 0 | 0 | 0 | 120.7 | ||||
| 827 | K | 26 | Very low | 26 | Very low | 194 Ų | 194 | 143.5 Ų | 143.5 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -86.8 | 133.8 | 146.5 | -79.8 | -179.4 | 176.1 | 174.7 | 0 | 110.7 | ||||
| 828 | Q | 25.4 | Very low | 26.3 | Very low | 186 Ų | 186 | 142 Ų | 142 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | 157.3 | 135.8 | 131.9 | -90.5 | -178.2 | -3.7 | 0 | 0 | 109.3 | ||||
| 829 | F | 25.6 | Very low | 26.5 | Very low | 207 Ų | 207 | 143.5 Ų | 143.5 | 91% | 0.908 | 80% | 0.799 | S | S | * | * | trans | -114.6 | 106.2 | 167.9 | -106.9 | -73.9 | 0 | 0 | 0 | 110.1 | ||||
| 830 | L | 24.4 | Very low | 26.8 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -97.2 | 152.3 | 141.3 | -90.7 | 165.6 | 0 | 0 | 0 | 107.7 | ||||
| 831 | S | 24.4 | Very low | 26.9 | Very low | 88 Ų | 88 | 143.8 Ų | 143.8 | 62% | 0.615 | 80% | 0.797 | S | S | * | * | trans | -98.8 | 140 | -162.8 | 52.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 832 | N | 25.7 | Very low | 26.9 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | 177.2 | 165.5 | 120.9 | -86.2 | -20.1 | 0 | 0 | 0 | 112.5 | |||||
| 833 | S | 28.6 | Very low | 27 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | 61.6 | 109.2 | -162.4 | 64.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 834 | V | 29.6 | Very low | 27.2 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | cis | 64.3 | 113.4 | 42.8 | -167.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 835 | G | 26.2 | Very low | 27 | Very low | 63 Ų | 63 | 143.8 Ų | 143.8 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | cis | 160.6 | 133.1 | -9.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 836 | N | 29.9 | Very low | 26.9 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -161.3 | 143.3 | 168 | -108.5 | -27.1 | 0 | 0 | 0 | 111.3 | ||||
| 837 | N | 29.8 | Very low | 26.8 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | 43.6 | 92.1 | 162.2 | -56.2 | -11.2 | 0 | 0 | 0 | 117.5 | ||||
| 838 | S | 29.1 | Very low | 26.9 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | 60.8 | 92.3 | 85.2 | 74.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 839 | S | 25.4 | Very low | 27 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | 67.6 | 96.8 | 70.3 | 79.6 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 840 | Q | 28.5 | Very low | 27.3 | Very low | 172 Ų | 172 | 128.2 Ų | 128.2 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -162.1 | 140.1 | 146.6 | -115.7 | 170.4 | 15.3 | 0 | 0 | 114.2 | ||||
| 841 | Q | 27 | Very low | 27.2 | Very low | 155 Ų | 155 | 125.8 Ų | 125.8 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | trans | 49.8 | 107.8 | 140 | -75.5 | 166.7 | -16.9 | 0 | 0 | 122.5 | ||||
| 842 | S | 25 | Very low | 28 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | 54.9 | 114.3 | 126.5 | 62.4 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 843 | K | 28.5 | Very low | 28.2 | Very low | 204 Ų | 204 | 127.4 Ų | 127.4 | 89% | 0.887 | 74% | 0.739 | S | S | * | * | trans | 26.9 | 109 | 132.5 | -66.1 | -178.4 | 176.2 | -179.2 | 0 | 117.5 | ||||
| 844 | C | 27.1 | Very low | 28.2 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 81% | 0.811 | 73% | 0.727 | S | S | * | * | trans | -140.5 | 119.8 | 159.7 | -162 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 845 | N | 25.8 | Very low | 28.2 | Very low | 145 Ų | 145 | 123.3 Ų | 123.3 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | trans | -83.3 | 119.3 | 168.7 | -88.5 | 5.4 | 0 | 0 | 0 | 109 | ||||
| 846 | K | 24.3 | Very low | 28.2 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 68% | 0.683 | 72% | 0.722 | S | S | * | * | trans | -171.2 | 96.9 | 152.2 | -107.8 | 165 | -174.5 | -177.3 | 0 | 111.3 | ||||
| 847 | C | 25.8 | Very low | 28 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 88% | 0.878 | 73% | 0.726 | S | S | * | * | S | Bend | -69.7 | 138 | 120.1 | -77.6 | 0 | 0 | 0 | 0 | 106.1 | L849 | C847-L849 PolarHBondContact O-N 2.73Š| |
| 848 | S | 29 | Very low | 27.9 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | -40.9 | 106.5 | -174.8 | 46.1 | 0 | 0 | 0 | 0 | 113.8 | L850 | S848-L850 PolarHBondContact O-N 3.42Š| ||
| 849 | L | 27.1 | Very low | 27.8 | Very low | 77 Ų | 77 | 123.4 Ų | 123.4 | 40% | 0.403 | 73% | 0.732 | S | S | . | * | trans | -55.4 | 131 | 155.1 | -83.7 | 168.6 | 0 | 0 | 0 | 107.6 | C847 H853 | C847-L849 PolarHBondContact O-N 2.73Å; L849-H853 HydrophobicContact CD2-CB 4.09Å | ||
| 850 | L | 31.8 | Very low | 28.2 | Very low | 104 Ų | 104 | 123.5 Ų | 123.5 | 55% | 0.545 | 73% | 0.73 | S | S | . | * | trans | -57.2 | 150.2 | -177.6 | -79.3 | 75 | 0 | 0 | 0 | 110.9 | S848 T852 H853 | S848-L850 PolarHBondContact O-N 3.42Å; L850-T852 PolarHBondContact O-N 2.9Å; L850-H853 HydrophobicContact CB-CB 4.43Å; L850-H853 PolarHBondContact O-N 2.99Å | ||
| 851 | S | 22.9 | Very low | 28.2 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | 92.5 | 136.5 | 50.2 | 0 | 0 | 0 | 0 | 107.5 | ||
| 852 | T | 40.4 | Very low | 28.1 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 76% | 0.761 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 110.5 | 28.3 | -165.3 | 72 | 0 | 0 | 0 | 0 | 118.5 | L850 | L850-T852 PolarHBondContact O-N 2.9Š|
| 853 | H | 31.2 | Very low | 28.1 | Very low | 143 Ų | 143 | 126.1 Ų | 126.1 | 66% | 0.662 | 73% | 0.732 | S | S | * | * | trans | -154 | 149.5 | 153.2 | -106.7 | -75.4 | 0 | 0 | 0 | 113.9 | L849 L850 | L849-H853 HydrophobicContact CD2-CB 4.09Å; L850-H853 HydrophobicContact CB-CB 4.43Å; L850-H853 PolarHBondContact O-N 2.99Å | ||
| 854 | G | 27.8 | Very low | 28 | Very low | 50 Ų | 50 | 126.6 Ų | 126.6 | 52% | 0.515 | 73% | 0.73 | S | S | . | * | trans | -173.4 | 165 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 855 | S | 30.1 | Very low | 28 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 87% | 0.867 | 73% | 0.728 | S | S | * | * | cis | -149.6 | 170.2 | 5.6 | -71.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 856 | C | 25 | Very low | 28.4 | Very low | 84 Ų | 84 | 125 Ų | 125 | 57% | 0.568 | 73% | 0.727 | S | S | * | * | trans | -90.5 | 159.8 | -168 | -48.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 857 | T | 27.3 | Very low | 28.5 | Very low | 150 Ų | 150 | 124.8 Ų | 124.8 | 92% | 0.92 | 73% | 0.734 | S | S | * | * | 176 | 178.1 | 112.4 | 33.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 858 | S | 27.2 | Very low | 28.5 | Very low | 105 Ų | 105 | 123.1 Ų | 123.1 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | trans | -149.1 | 146.1 | -162.6 | 62.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 859 | S | 25.9 | Very low | 28.5 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | trans | -171.7 | 158.4 | 143.2 | 58.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 860 | P | 35.1 | Very low | 28.4 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | -142.8 | 130.3 | 127 | 35.3 | -21.9 | 0 | 0 | 0 | 113.7 | |||||
| 861 | F | 28.2 | Very low | 28.2 | Very low | 192 Ų | 192 | 128.4 Ų | 128.4 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | 178.4 | 165.3 | 111.9 | -111.3 | -85.1 | 0 | 0 | 0 | 111.7 | |||||
| 862 | N | 25.3 | Very low | 28.4 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 68% | 0.684 | 75% | 0.749 | S | S | * | * | trans | 74.7 | 93.2 | 172.3 | -72.5 | 5.2 | 0 | 0 | 0 | 120.1 | ||||
| 863 | H | 25.5 | Very low | 27.7 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | 84.3 | 152.1 | 123.3 | -78.7 | -70.1 | 0 | 0 | 0 | 122.8 | |||||
| 864 | Y | 24.6 | Very low | 27.5 | Very low | 214 Ų | 214 | 128.2 Ų | 128.2 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | trans | 70.9 | 102.6 | 171.8 | -72 | -75.7 | 0 | 0 | 0 | 119.5 | ||||
| 865 | C | 28.7 | Very low | 27.3 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -69.4 | 160.5 | 146 | -54.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 866 | P | 33.5 | Very low | 27 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | -146.9 | 134.1 | 101 | 35.1 | -18.6 | 0 | 0 | 0 | 116.9 | |||||
| 867 | N | 26 | Very low | 26.9 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | 42.5 | 144.3 | 137.2 | -61.8 | -8.9 | 0 | 0 | 0 | 124.6 | ||||
| 868 | A | 26.6 | Very low | 26.9 | Very low | 95 Ų | 95 | 137 Ų | 137 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | 84.2 | 139.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 869 | V | 27.6 | Very low | 26.7 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | cis | -158.2 | 155.3 | -2 | 102.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 870 | S | 26.7 | Very low | 26.8 | Very low | 86 Ų | 86 | 139.5 Ų | 139.5 | 60% | 0.601 | 75% | 0.75 | S | S | * | * | trans | 60.3 | 133.8 | 156.5 | 68 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 871 | Q | 26.5 | Very low | 26.2 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | trans | 71.5 | 147.8 | 138.7 | -73 | 170.2 | 17.9 | 0 | 0 | 119.2 | ||||
| 872 | S | 28.2 | Very low | 26.9 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | cis | -163.7 | 143.8 | -7.3 | 51.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 873 | D | 25.2 | Very low | 27 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 66% | 0.658 | 75% | 0.745 | S | S | * | * | trans | 41.7 | 143 | 138.3 | -96.6 | -7.7 | 0 | 0 | 0 | 125.6 | ||||
| 874 | K | 26.6 | Very low | 27.3 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 70% | 0.696 | 74% | 0.743 | S | S | * | * | trans | 69.2 | 104.5 | 138 | -72.1 | 165 | -173.6 | 144.4 | 0 | 119.9 | ||||
| 875 | T | 24.2 | Very low | 27.4 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | 89 | 121.7 | 72.9 | 57.8 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 876 | S | 22.8 | Very low | 27.5 | Very low | 102 Ų | 102 | 128.8 Ų | 128.8 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | 96.5 | 148.3 | 138.9 | 86.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 877 | R | 23.7 | Very low | 27.1 | Very low | 211 Ų | 211 | 131 Ų | 131 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | trans | 83.9 | 125.8 | 148.5 | -78 | 176.3 | 173.6 | -174.1 | -0.5 | 121.8 | ||||
| 878 | H | 27.3 | Very low | 27.3 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | 67.1 | 144.9 | 135.7 | -69.2 | -48.7 | 0 | 0 | 0 | 120.1 | ||||
| 879 | T | 23.2 | Very low | 27.3 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | cis | -160.3 | 178.7 | -29.5 | -39.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 880 | I | 27.6 | Very low | 27.1 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 84% | 0.841 | 74% | 0.736 | S | S | * | * | trans | 85.9 | 146.2 | 160.5 | -60.4 | 151.5 | 0 | 0 | 0 | 115.8 | ||||
| 881 | S | 22.8 | Very low | 27.7 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | trans | -142.6 | -161.5 | -175.9 | 63.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 882 | P | 41.9 | Very low | 27.7 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 66% | 0.662 | 74% | 0.739 | S | S | * | * | cis | -126.1 | -169.7 | -26 | 34.7 | -16.2 | 0 | 0 | 0 | 111.3 | ||||
| 883 | T | 28.2 | Very low | 27.6 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 80% | 0.798 | 74% | 0.736 | S | S | * | * | 166.2 | 139 | 117.3 | 35.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 884 | A | 30.6 | Very low | 27.7 | Very low | 85 Ų | 85 | 127.3 Ų | 127.3 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | trans | 63.6 | 146.6 | 139.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 885 | N | 27 | Very low | 27.8 | Very low | 144 Ų | 144 | 124.9 Ų | 124.9 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | cis | -168.3 | -179.9 | -12.3 | -113.7 | 7.3 | 0 | 0 | 0 | 111.5 | ||||
| 886 | I | 30.9 | Very low | 27.9 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 70% | 0.697 | 74% | 0.742 | S | S | * | * | trans | 75.4 | 104.2 | 159.2 | -70.1 | 149.8 | 0 | 0 | 0 | 115 | ||||
| 887 | E | 26 | Very low | 27.9 | Very low | 164 Ų | 164 | 126.9 Ų | 126.9 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | 82.7 | 151.3 | 83.5 | -75.5 | 171.2 | -167.6 | 0 | 0 | 113.7 | |||||
| 888 | T | 28.9 | Very low | 27.9 | Very low | 125 Ų | 125 | 123.5 Ų | 123.5 | 77% | 0.767 | 74% | 0.737 | S | S | * | * | cis | -155.5 | 161.8 | 4.1 | 1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 889 | A | 27.8 | Very low | 27.8 | Very low | 102 Ų | 102 | 122.4 Ų | 122.4 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | 67.2 | 150.7 | 147 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 890 | S | 22.7 | Very low | 27.8 | Very low | 111 Ų | 111 | 123.4 Ų | 123.4 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | -130.4 | -160 | 175.7 | 61.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 891 | P | 39.1 | Very low | 27.6 | Very low | 102 Ų | 102 | 120.6 Ų | 120.6 | 66% | 0.662 | 74% | 0.737 | S | S | * | * | cis | -147.9 | -161.7 | 15.9 | 39.3 | -13.7 | 0 | 0 | 0 | 117.3 | ||||
| 892 | L | 26.8 | Very low | 27.6 | Very low | 162 Ų | 162 | 123.1 Ų | 123.1 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | trans | 75.8 | 144.2 | 160 | -64.5 | 164.7 | 0 | 0 | 0 | 118.9 | ||||
| 893 | S | 27.5 | Very low | 27.3 | Very low | 92 Ų | 92 | 123.2 Ų | 123.2 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | cis | -161.3 | 167 | -10 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 894 | S | 27.3 | Very low | 27.1 | Very low | 96 Ų | 96 | 123.1 Ų | 123.1 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | trans | 59.1 | 113.6 | 153.5 | 49.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 895 | S | 27.4 | Very low | 27 | Very low | 110 Ų | 110 | 122.9 Ų | 122.9 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | 81.7 | 141.2 | 81.2 | -62.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 896 | Q | 26.4 | Very low | 26.8 | Very low | 169 Ų | 169 | 121.3 Ų | 121.3 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | cis | -166.3 | 156.9 | -1.8 | -123 | -179.8 | -20.6 | 0 | 0 | 109.8 | ||||
| 897 | C | 23.1 | Very low | 26.6 | Very low | 98 Ų | 98 | 123.3 Ų | 123.3 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | trans | 61.7 | 151.9 | 145.5 | -65.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 898 | L | 24.5 | Very low | 26.6 | Very low | 140 Ų | 140 | 120.4 Ų | 120.4 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | cis | -160.6 | 156.3 | -7.1 | -105.5 | 162 | 0 | 0 | 0 | 110.9 | ||||
| 899 | L | 23.4 | Very low | 26.4 | Very low | 134 Ų | 134 | 120.8 Ų | 120.8 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | trans | 64.9 | 135.1 | 145.7 | -71.4 | 162.9 | 0 | 0 | 0 | 124.9 | ||||
| 900 | T | 23.1 | Very low | 26.3 | Very low | 126 Ų | 126 | 122 Ų | 122 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | 69.1 | 144.2 | 144 | 50.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 901 | S | 24.2 | Very low | 26.3 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | cis | -158.9 | 159 | -5.8 | 39.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 902 | N | 24 | Very low | 25.6 | Very low | 152 Ų | 152 | 128.5 Ų | 128.5 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -4.9 | 166.6 | 137.2 | -101.7 | -14.7 | 0 | 0 | 0 | 119.8 | ||||
| 903 | P | 35.2 | Very low | 25.6 | Very low | 103 Ų | 103 | 133 Ų | 133 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | cis | -146.6 | -165.1 | 5.8 | 26.3 | 2 | 0 | 0 | 0 | 116.7 | ||||
| 904 | V | 23.2 | Very low | 25.5 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | trans | 86.1 | 109.5 | 152.9 | -161.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 905 | G | 28.1 | Very low | 25.4 | Very low | 79 Ų | 79 | 137 Ų | 137 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | -156.2 | 108.2 | 153 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 906 | C | 23 | Very low | 25.3 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | trans | -78.2 | 141.8 | 179.7 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 907 | M | 27.5 | Very low | 25.1 | Very low | 177 Ų | 177 | 134.8 Ų | 134.8 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | -167.2 | 151.7 | 132.7 | -101 | -48.2 | 150.2 | 0 | 0 | 113.8 | ||||
| 908 | S | 26.1 | Very low | 25.2 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -27.4 | 142 | 174.1 | -45.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 909 | T | 24.7 | Very low | 25.4 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -78 | 161.9 | 159 | 57.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 910 | P | 26.1 | Very low | 25.5 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | -136.4 | 159.1 | 128.7 | 37.5 | -27.6 | 0 | 0 | 0 | 114.4 | |||||
| 911 | I | 22.6 | Very low | 25.6 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -92.1 | 134 | -172.8 | -56.4 | 161.3 | 0 | 0 | 0 | 111.3 | ||||
| 912 | K | 23.5 | Very low | 25.6 | Very low | 194 Ų | 194 | 131.6 Ų | 131.6 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | 156.8 | 118.8 | 135.2 | -89 | 168.8 | -177.5 | 178.9 | 0 | 113.2 | ||||
| 913 | R | 27.2 | Very low | 25.8 | Very low | 255 Ų | 255 | 130.3 Ų | 130.3 | 96% | 0.962 | 76% | 0.761 | S | S | * | * | -165.5 | 171 | 123.5 | -113.2 | 173.5 | -174.6 | 156 | 3.6 | 112.4 | |||||
| 914 | I | 25.3 | Very low | 25.4 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | trans | -116.4 | 130.7 | -168.8 | -70 | 167.8 | 0 | 0 | 0 | 108.6 | ||||
| 915 | V | 24.1 | Very low | 25.7 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | trans | 24.5 | 127.1 | 135.8 | -166.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 916 | P | 26.9 | Very low | 25.6 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | -143.2 | 174.4 | 53.7 | 40.9 | -22.7 | 0 | 0 | 0 | 118.2 | |||||
| 917 | L | 22.3 | Very low | 25.8 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 60% | 0.597 | 76% | 0.758 | S | S | * | * | trans | -94.8 | 149.1 | 165 | -80.5 | 92.5 | 0 | 0 | 0 | 112.1 | Q966 | L917-Q966 HydrophobicContact CD1-CG 4.44Å; L917-Q966 HydrophobicContact CD2-CG 3.96Å | ||
| 918 | S | 24.6 | Very low | 25.8 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -161.5 | 153.1 | 152.6 | 55.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 919 | S | 28.1 | Very low | 25.8 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | 68.1 | 111.8 | -173.9 | -50 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 920 | I | 25.6 | Very low | 25.9 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 49% | 0.492 | 75% | 0.753 | S | S | . | * | cis | 81.6 | 116.1 | 21.6 | -44.7 | 176.5 | 0 | 0 | 0 | 114.9 | F962 | I920-F962 HydrophobicContact CB-CE1 4.24Å; I920-F962 HydrophobicContact CB-CZ 4.46Å; I920-F962 HydrophobicContact CD1-CD1 3.64Å; I920-F962 HydrophobicContact CD1-CD2 4.13Å; I920-F962 HydrophobicContact CD1-CE1 3.72Å; I920-F962 HydrophobicContact CD1-CE2 4.19Å; I920-F962 HydrophobicContact CD1-CG 3.87Å; I920-F962 HydrophobicContact CD1-CZ 4Å; I920-F962 HydrophobicContact CG1-CD1 3.84Å; I920-F962 HydrophobicContact CG1-CE1 3.62Å; I920-F962 HydrophobicContact CG1-CZ 4.17Å; I920-F962 HydrophobicContact CG2-CE1 3.68Å; I920-F962 HydrophobicContact CG2-CE2 4.31Å; I920-F962 HydrophobicContact CG2-CZ 3.48Å; I920-F962 VanDerWaalsContact CG2-CZ 3.48Å | ||
| 921 | T | 25.9 | Very low | 26 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | 67.1 | 129.9 | 163.1 | 45.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 922 | S | 24.7 | Very low | 26.3 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 57.2 | 131.7 | 155.3 | 56.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 923 | T | 28.3 | Very low | 26.6 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | cis | -132.1 | 131 | 20.9 | 47.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 924 | M | 25.3 | Very low | 26.7 | Very low | 172 Ų | 172 | 133.6 Ų | 133.6 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | 50.6 | 106.2 | 86.2 | -80.4 | -175.8 | 163.5 | 0 | 0 | 115.1 | |||||
| 925 | N | 29.3 | Very low | 26.8 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 65% | 0.652 | 75% | 0.746 | S | S | * | * | -159.4 | 131.6 | 96.2 | -114.6 | 28.3 | 0 | 0 | 0 | 112.2 | D927 | N925-D927 PolarHBondContact ND2-OD2 3.13Š| |||
| 926 | T | 27.2 | Very low | 27.1 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | trans | -120.4 | 102.6 | 161 | 47.1 | 0 | 0 | 0 | 0 | 106.8 | A928 | T926-A928 PolarHBondContact O-N 3.37Š| ||
| 927 | D | 26.8 | Very low | 27.1 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 60% | 0.604 | 75% | 0.747 | S | S | * | * | trans | -85.7 | 96.2 | 177.8 | -83.7 | -67.8 | 0 | 0 | 0 | 110.6 | N925 K930 | N925-D927 PolarHBondContact ND2-OD2 3.13Å; D927-K930 IonicContact OD1-NZ 2.85Å; D927-K930 PolarHBondContact OD1-NZ 2.81Å | ||
| 928 | A | 27.7 | Very low | 27.6 | Very low | 87 Ų | 87 | 135.4 Ų | 135.4 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | trans | -145.1 | 144.1 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | T926 | T926-A928 PolarHBondContact O-N 3.37Š| ||
| 929 | L | 26.9 | Very low | 27.8 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 90% | 0.895 | 76% | 0.755 | S | S | * | * | trans | 58.1 | 56 | 177 | -68.2 | 166 | 0 | 0 | 0 | 116.5 | ||||
| 930 | K | 25.7 | Very low | 28 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | trans | -85.3 | 108.6 | 140.9 | -76.3 | 179 | -171.8 | 118.2 | 0 | 108.6 | D927 | D927-K930 IonicContact OD1-NZ 2.85Å; D927-K930 PolarHBondContact OD1-NZ 2.81Å | ||
| 931 | N | 28.6 | Very low | 28.1 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -158.2 | 71.8 | 161.7 | -110.9 | -9.2 | 0 | 0 | 0 | 110.6 | ||||
| 932 | L | 28.2 | Very low | 28.4 | Very low | 177 Ų | 177 | 139.8 Ų | 139.8 | 93% | 0.927 | 77% | 0.766 | S | S | * | * | trans | -139.1 | 138.6 | 161.3 | -94.8 | 175.8 | 0 | 0 | 0 | 108.9 | ||||
| 933 | N | 30.1 | Very low | 28.5 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -84.1 | 143 | -160.8 | -65.3 | -32.4 | 0 | 0 | 0 | 113.4 | ||||
| 934 | K | 29.9 | Very low | 28.4 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | trans | -82.2 | 147.8 | 140.3 | -78.2 | -173.9 | 178.3 | -177.2 | 0 | 108.1 | ||||
| 935 | S | 26.2 | Very low | 28.6 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | cis | -178.3 | 142.8 | -15.5 | 46.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 936 | D | 30.1 | Very low | 28.4 | Very low | 154 Ų | 154 | 137 Ų | 137 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | -150.2 | 165.1 | 154.5 | -127 | -39 | 0 | 0 | 0 | 113.8 | ||||
| 937 | N | 27.9 | Very low | 28.5 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | -89.3 | 152.4 | -161 | -61.7 | -90.7 | 0 | 0 | 0 | 113.4 | ||||
| 938 | M | 32 | Very low | 28.5 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | -166.4 | 117.8 | 120.9 | -98.1 | -51 | 162.4 | 0 | 0 | 113.2 | |||||
| 939 | N | 29.9 | Very low | 28.4 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | trans | 37.4 | 119.7 | 140.9 | -66.8 | -12 | 0 | 0 | 0 | 123.1 | ||||
| 940 | S | 31.5 | Very low | 28.5 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | 76.5 | 157.1 | 124.9 | 85.9 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 941 | N | 28 | Very low | 28.4 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | cis | -166.6 | 157.8 | -16.8 | -120.1 | -16.3 | 0 | 0 | 0 | 110.3 | ||||
| 942 | I | 31.3 | Very low | 28.3 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 66.3 | 153.1 | 150.9 | -65.8 | 163.7 | 0 | 0 | 0 | 117.5 | ||||
| 943 | S | 27.4 | Very low | 28.1 | Very low | 85 Ų | 85 | 142.8 Ų | 142.8 | 59% | 0.594 | 78% | 0.775 | S | S | * | * | cis | -165.9 | 151.4 | -49.1 | 73.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 944 | N | 26.6 | Very low | 27.8 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | 50.1 | 127.6 | 147.8 | -62.2 | -14.8 | 0 | 0 | 0 | 121.7 | ||||
| 945 | G | 29 | Very low | 27.5 | Very low | 77 Ų | 77 | 142.1 Ų | 142.1 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -165 | 76.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 946 | N | 26 | Very low | 27.6 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -67.1 | 141.2 | -176.7 | -69 | -36.9 | 0 | 0 | 0 | 113 | ||||
| 947 | N | 29.7 | Very low | 27.3 | Very low | 163 Ų | 163 | 146.6 Ų | 146.6 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | -154.5 | 162.1 | 126.1 | -117.1 | -41.1 | 0 | 0 | 0 | 113.4 | |||||
| 948 | T | 25.4 | Very low | 27.3 | Very low | 105 Ų | 105 | 146.5 Ų | 146.5 | 64% | 0.644 | 79% | 0.79 | S | S | * | * | trans | -124.5 | 165.8 | -163.2 | 60.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 949 | K | 26.6 | Very low | 27.3 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | 81.2 | 91.2 | 166.2 | -53.4 | 169.9 | -172.8 | 175 | 0 | 117.5 | ||||
| 950 | S | 28.3 | Very low | 27.4 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | -129.4 | 139.8 | 112.7 | 63.2 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 951 | L | 24.1 | Very low | 27.4 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -109.8 | 158.9 | -178.4 | -125.5 | 78.5 | 0 | 0 | 0 | 110 | ||||
| 952 | N | 25.6 | Very low | 27.6 | Very low | 145 Ų | 145 | 149 Ų | 149 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 67 | 63.9 | 158.4 | -57.9 | -13.7 | 0 | 0 | 0 | 118.4 | ||||
| 953 | R | 23.8 | Very low | 27.9 | Very low | 246 Ų | 246 | 144 Ų | 144 | 93% | 0.928 | 76% | 0.759 | S | S | * | * | trans | -156.2 | 74 | 142.4 | -131.8 | 176.3 | -173.4 | 174.6 | 1.4 | 115 | ||||
| 954 | C | 24.5 | Very low | 28.2 | Very low | 122 Ų | 122 | 143 Ų | 143 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | trans | -171.9 | 88.3 | 150.4 | -110.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 955 | F | 24.6 | Very low | 28.7 | Very low | 212 Ų | 212 | 141.3 Ų | 141.3 | 93% | 0.93 | 74% | 0.737 | S | S | * | * | trans | -119 | 158.1 | 151.5 | -98.6 | -96.3 | 0 | 0 | 0 | 106.8 | ||||
| 956 | V | 26.8 | Very low | 29.3 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 72.6 | 71.6 | -171.3 | -164.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 957 | Y | 25.4 | Very low | 30.2 | Very low | 213 Ų | 213 | 142.2 Ų | 142.2 | 84% | 0.835 | 71% | 0.709 | S | S | * | * | trans | -156 | 39.5 | 154.4 | -114.5 | -65.8 | 0 | 0 | 0 | 114.2 | ||||
| 958 | T | 27.2 | Very low | 31 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -126.6 | 2 | -178 | 46.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 959 | H | 31.5 | Very low | 32.2 | Very low | 176 Ų | 176 | 137 Ų | 137 | 82% | 0.815 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -108.4 | -8.2 | -173 | -121.2 | -63.6 | 0 | 0 | 0 | 116 | ||
| 960 | H | 32.7 | Very low | 33.8 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 63% | 0.634 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -86.6 | -37.9 | -175.3 | -111.1 | -81.4 | 0 | 0 | 0 | 114.3 | F962 A963 | H960-F962 VanDerWaalsContact C-N 3.28Å; H960-F962 PolarHBondContact O-N 3.26Å; H960-F962 VanDerWaalsContact O-N 3.12Å; H960-A963 PolarHBondContact O-N 3.21Å; H960-A963 VanDerWaalsContact O-N 3.16Å |
| 961 | Q | 32.1 | Very low | 35.5 | Very low | 164 Ų | 164 | 129.6 Ų | 129.6 | 77% | 0.766 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -64.5 | -21 | -169.1 | -96.8 | 174 | -22.8 | 0 | 0 | 115.8 | L965 | Q961-L965 WeakPolarHBondContact O-CD1 3.16Å |
| 962 | F | 32 | Very low | 37.8 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 48% | 0.478 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -85 | -19.4 | 177.2 | -85.6 | -69.5 | 0 | 0 | 0 | 114.8 | I920 H960 | I920-F962 HydrophobicContact CB-CE1 4.24Å; I920-F962 HydrophobicContact CB-CZ 4.46Å; I920-F962 HydrophobicContact CD1-CD1 3.64Å; I920-F962 HydrophobicContact CD1-CD2 4.13Å; I920-F962 HydrophobicContact CD1-CE1 3.72Å; I920-F962 HydrophobicContact CD1-CE2 4.19Å; I920-F962 HydrophobicContact CD1-CG 3.87Å; I920-F962 HydrophobicContact CD1-CZ 4Å; I920-F962 HydrophobicContact CG1-CD1 3.84Å; I920-F962 HydrophobicContact CG1-CE1 3.62Å; I920-F962 HydrophobicContact CG1-CZ 4.17Å; I920-F962 HydrophobicContact CG2-CE1 3.68Å; I920-F962 HydrophobicContact CG2-CE2 4.31Å; I920-F962 HydrophobicContact CG2-CZ 3.48Å; I920-F962 VanDerWaalsContact CG2-CZ 3.48Å; H960-F962 VanDerWaalsContact C-N 3.28Å; H960-F962 PolarHBondContact O-N 3.26Å; H960-F962 VanDerWaalsContact O-N 3.12Å |
| 963 | A | 36.2 | Very low | 40.3 | Very low | 45 Ų | 45 | 123.7 Ų | 123.7 | 37% | 0.372 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.8 | -36.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | H960 Q966 R967 | H960-A963 PolarHBondContact O-N 3.21Å; H960-A963 VanDerWaalsContact O-N 3.16Å; A963-Q966 PolarHBondContact O-N 2.84Å; A963-R967 PolarHBondContact O-N 2.98Å |
| 964 | D | 35.1 | Very low | 43.1 | Very low | 62 Ų | 62 | 113.9 Ų | 113.9 | 33% | 0.332 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -84.2 | -27.3 | -172.5 | -61.4 | -48.5 | 0 | 0 | 0 | 112.9 | Q966 R967 N968 | D964-Q966 VanDerWaalsContact C-N 3.29Å; D964-Q966 PolarHBondContact O-N 3.3Å; D964-R967 PolarHBondContact O-N 2.85Å; D964-R967 WeakPolarHBondContact OD1-CD 3.3Å; D964-R967 IonicContact OD1-NH1 3.15Å; D964-R967 PolarHBondContact OD1-NH1 2.57Å; D964-R967 VanDerWaalsContact OD1-NH1 3.15Å; D964-N968 WeakPolarHBondContact O-CB 3.44Å; D964-N968 VanDerWaalsContact O-CG 3.29Å; D964-N968 PolarHBondContact O-N 3.49Å; D964-N968 PolarHBondContact O-OD1 3.24Å |
| 965 | L | 36.3 | Very low | 45.9 | Very low | 124 Ų | 124 | 113.4 Ų | 113.4 | 65% | 0.649 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -58.4 | -41.1 | 165.6 | -94 | 83.8 | 0 | 0 | 0 | 111.8 | Q961 G969 | Q961-L965 WeakPolarHBondContact O-CD1 3.16Å; L965-G969 PolarHBondContact O-N 2.84Å |
| 966 | Q | 41.7 | Very low | 48.7 | Very low | 80 Ų | 80 | 107.4 Ų | 107.4 | 37% | 0.374 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.9 | -38.3 | 176 | -93.1 | -170.8 | -114 | 0 | 0 | 113.1 | L917 A963 D964 M970 | L917-Q966 HydrophobicContact CD1-CG 4.44Å; L917-Q966 HydrophobicContact CD2-CG 3.96Å; A963-Q966 PolarHBondContact O-N 2.84Å; D964-Q966 VanDerWaalsContact C-N 3.29Å; D964-Q966 PolarHBondContact O-N 3.3Å; Q966-M970 PolarHBondContact O-N 2.95Å; Q966-M970 VanDerWaalsContact O-N 3.1Å |
| 967 | R | 44.3 | Very low | 51.7 | Low | 163 Ų | 163 | 106 Ų | 106 | 62% | 0.615 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.9 | -43.5 | 176.7 | -77.1 | 173.1 | 167.7 | 169 | -5.6 | 111.7 | A963 D964 M970 A971 | A963-R967 PolarHBondContact O-N 2.98Å; D964-R967 PolarHBondContact O-N 2.85Å; D964-R967 WeakPolarHBondContact OD1-CD 3.3Å; D964-R967 IonicContact OD1-NH1 3.15Å; D964-R967 PolarHBondContact OD1-NH1 2.57Å; D964-R967 VanDerWaalsContact OD1-NH1 3.15Å; R967-M970 PolarHBondContact O-N 3.36Å; R967-A971 WeakPolarHBondContact O-CB 3.42Å; R967-A971 PolarHBondContact O-N 3.43Å |
| 968 | N | 45.9 | Very low | 54.7 | Low | 115 Ų | 115 | 96 Ų | 96 | 62% | 0.615 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.6 | -43.1 | 179.3 | -67.6 | 0.2 | 0 | 0 | 0 | 111.1 | D964 M970 A971 Q972 | D964-N968 WeakPolarHBondContact O-CB 3.44Å; D964-N968 VanDerWaalsContact O-CG 3.29Å; D964-N968 PolarHBondContact O-N 3.49Å; D964-N968 PolarHBondContact O-OD1 3.24Å; N968-M970 PolarHBondContact O-N 2.84Å; N968-A971 PolarHBondContact O-N 2.88Å; N968-Q972 PolarHBondContact O-N 2.69Å |
| 969 | G | 52.3 | Low | 57.7 | Low | 45 Ų | 45 | 93.7 Ų | 93.7 | 46% | 0.464 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L965 A973 | L965-G969 PolarHBondContact O-N 2.84Å; G969-A973 WeakPolarHBondContact O-CB 3.39Å; G969-A973 PolarHBondContact O-N 3.4Å; G969-A973 VanDerWaalsContact O-N 3.13Å |
| 970 | M | 58.6 | Low | 60.5 | Low | 111 Ų | 111 | 88 Ų | 88 | 55% | 0.547 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -73.1 | -32 | 173.4 | -70.4 | -162.7 | -53.7 | 0 | 0 | 113 | Q966 R967 N968 N974 | Q966-M970 PolarHBondContact O-N 2.95Å; Q966-M970 VanDerWaalsContact O-N 3.1Å; R967-M970 PolarHBondContact O-N 3.36Å; N968-M970 PolarHBondContact O-N 2.84Å; M970-N974 PolarHBondContact O-N 2.81Å; M970-N974 PolarHBondContact O-ND2 2.81Å |
| 971 | A | 65.3 | Low | 63.4 | Low | 45 Ų | 45 | 81.7 Ų | 81.7 | 37% | 0.372 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.2 | -48 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R967 N968 A973 N974 W975 | R967-A971 WeakPolarHBondContact O-CB 3.42Å; R967-A971 PolarHBondContact O-N 3.43Å; N968-A971 PolarHBondContact O-N 2.88Å; A971-A973 PolarHBondContact O-N 2.88Å; A971-N974 PolarHBondContact O-N 2.74Å; A971-N974 VanDerWaalsContact O-N 3.17Å; A971-W975 PolarHBondContact O-N 2.85Å; A971-W975 VanDerWaalsContact O-N 3.12Å |
| 972 | Q | 72.7 | Confident | 66.3 | Low | 108 Ų | 108 | 74.5 Ų | 74.5 | 51% | 0.505 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.2 | -50.3 | 176.2 | -167.5 | 61.9 | 49 | 0 | 0 | 111.4 | N968 N974 W975 D976 | N968-Q972 PolarHBondContact O-N 2.69Å; Q972-N974 PolarHBondContact O-N 3.35Å; Q972-W975 CarbonylContact O-C 3.59Å; Q972-W975 WeakPolarHBondContact O-CA 3.2Å; Q972-W975 WeakPolarHBondContact O-CB 3.48Å; Q972-W975 PolarHBondContact O-N 2.8Å; Q972-D976 PolarHBondContact NE2-OD1 2.89Å; Q972-D976 PolarHBondContact O-N 2.84Å |
| 973 | A | 77.5 | Confident | 69.1 | Low | 58 Ų | 58 | 74 Ų | 74 | 48% | 0.479 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.5 | -16.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | G969 A971 | G969-A973 WeakPolarHBondContact O-CB 3.39Å; G969-A973 PolarHBondContact O-N 3.4Å; G969-A973 VanDerWaalsContact O-N 3.13Å; A971-A973 PolarHBondContact O-N 2.88Å |
| 974 | N | 82.8 | Confident | 71.8 | Confident | 41 Ų | 41 | 74.3 Ų | 74.3 | 22% | 0.219 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -86.7 | -32.9 | 169 | -75.4 | -90 | 0 | 0 | 0 | 111.9 | M970 A971 Q972 F977 V978 H1033 Y1334 | M970-N974 PolarHBondContact O-N 2.81Å; M970-N974 PolarHBondContact O-ND2 2.81Å; A971-N974 PolarHBondContact O-N 2.74Å; A971-N974 VanDerWaalsContact O-N 3.17Å; Q972-N974 PolarHBondContact O-N 3.35Å; N974-F977 PolarHBondContact O-N 2.88Å; N974-V978 WeakPolarHBondContact O-CG2 3.26Å; N974-V978 PolarHBondContact O-N 3.07Å; N974-V978 VanDerWaalsContact O-N 3.08Å; N974-H1033 PolarHBondContact OD1-NE2 3.21Å; N974-Y1334 HydrophobicContact CB-CD2 3.96Å; N974-Y1334 HydrophobicContact CB-CG 4.39Å; N974-Y1334 WeakPolarHBondContact OD1-CD2 3.26Å; N974-Y1334 VanDerWaalsContact OD1-CE2 3.28Å; N974-Y1334 WeakPolarHBondContact OD1-CE2 3.5Å |
| 975 | W | 83.9 | Confident | 74.6 | Confident | 112 Ų | 112 | 71.4 Ų | 71.4 | 42% | 0.424 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.2 | -50.4 | 171.8 | -82.4 | 117.4 | 0 | 0 | 0 | 111.9 | A971 Q972 F977 V978 D979 C1339 E1342 | A971-W975 PolarHBondContact O-N 2.85Å; A971-W975 VanDerWaalsContact O-N 3.12Å; Q972-W975 CarbonylContact O-C 3.59Å; Q972-W975 WeakPolarHBondContact O-CA 3.2Å; Q972-W975 WeakPolarHBondContact O-CB 3.48Å; Q972-W975 PolarHBondContact O-N 2.8Å; W975-F977 PolarHBondContact O-N 3.4Å; W975-V978 WeakPolarHBondContact O-CA 3.42Å; W975-V978 WeakPolarHBondContact O-CB 3.48Å; W975-V978 PolarHBondContact O-N 3.23Å; W975-D979 PolarHBondContact O-N 3.42Å; W975-C1339 HydrophobicContact CH2-CB 4.12Å; W975-C1339 HydrophobicContact CZ3-CB 4.17Å; W975-E1342 WeakPolarHBondContact CZ3-OE1 3.34Å |
| 976 | D | 82.6 | Confident | 77.2 | Confident | 85 Ų | 85 | 69.3 Ų | 69.3 | 46% | 0.455 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -54.4 | -31.3 | 176.6 | -49.3 | -26.6 | 0 | 0 | 0 | 111.8 | Q972 A980 | Q972-D976 PolarHBondContact NE2-OD1 2.89Å; Q972-D976 PolarHBondContact O-N 2.84Å; D976-A980 WeakPolarHBondContact O-CB 3.39Å; D976-A980 PolarHBondContact O-N 3.5Å |
| 977 | F | 88.8 | Confident | 79.5 | Confident | 103 Ų | 103 | 71.8 Ų | 71.8 | 45% | 0.452 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -82.5 | -26.1 | 177.1 | -166.5 | -98.5 | 0 | 0 | 0 | 113.6 | N974 W975 L981 H1033 | N974-F977 PolarHBondContact O-N 2.88Å; W975-F977 PolarHBondContact O-N 3.4Å; F977-L981 HydrophobicContact CD1-CD1 3.93Å; F977-L981 HydrophobicContact CD1-CG 4.42Å; F977-L981 HydrophobicContact CE1-CD1 3.7Å; F977-L981 HydrophobicContact CE1-CG 4.19Å; F977-L981 WeakPolarHBondContact O-CG 3.31Å; F977-L981 PolarHBondContact O-N 3.43Å; F977-H1033 AromaticContact CD1-CD2 3.62Å; F977-H1033 AromaticContact CD1-NE2 3.66Å; F977-H1033 AromaticContact CE1-CD2 3.81Å |
| 978 | V | 90.3 | Very high | 81.7 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.006 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.5 | -48.9 | 170.7 | 164.5 | 0 | 0 | 0 | 0 | 109.8 | N974 W975 A980 L981 L982 F1336 E1342 | N974-V978 WeakPolarHBondContact O-CG2 3.26Å; N974-V978 PolarHBondContact O-N 3.07Å; N974-V978 VanDerWaalsContact O-N 3.08Å; W975-V978 WeakPolarHBondContact O-CA 3.42Å; W975-V978 WeakPolarHBondContact O-CB 3.48Å; W975-V978 PolarHBondContact O-N 3.23Å; V978-A980 VanDerWaalsContact C-N 3.33Å; V978-A980 PolarHBondContact O-N 3.39Å; V978-L981 WeakPolarHBondContact O-CB 3.39Å; V978-L981 PolarHBondContact O-N 3.13Å; V978-L981 VanDerWaalsContact O-N 3.07Å; V978-L982 PolarHBondContact O-N 2.95Å; V978-F1336 HydrophobicContact CB-CD2 4.22Å; V978-F1336 HydrophobicContact CG1-CD2 3.8Å; V978-F1336 HydrophobicContact CG1-CE2 4.08Å; V978-F1336 HydrophobicContact CG2-CB 4.26Å; V978-F1336 HydrophobicContact CG2-CD2 4.2Å; V978-F1336 WeakPolarHBondContact O-CE2 3.25Å; V978-E1342 HydrophobicContact CG1-CB 3.95Å; V978-E1342 HydrophobicContact CG1-CG 3.83Å |
| 979 | D | 88.3 | Confident | 83.7 | Confident | 83 Ų | 83 | 62.3 Ų | 62.3 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 177.8 | -66.8 | -15.4 | 0 | 0 | 0 | 111.6 | W975 L981 L982 E983 | W975-D979 PolarHBondContact O-N 3.42Å; D979-L981 VanDerWaalsContact C-N 3.29Å; D979-L981 PolarHBondContact O-N 3.13Å; D979-L982 PolarHBondContact O-N 3.38Å; D979-L982 VanDerWaalsContact O-N 3.12Å; D979-E983 PolarHBondContact O-N 3.17Å |
| 980 | A | 91.5 | Very high | 85.3 | Confident | 58 Ų | 58 | 67 Ų | 67 | 48% | 0.479 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -34.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D976 V978 E984 | D976-A980 WeakPolarHBondContact O-CB 3.39Å; D976-A980 PolarHBondContact O-N 3.5Å; V978-A980 VanDerWaalsContact C-N 3.33Å; V978-A980 PolarHBondContact O-N 3.39Å; A980-E984 WeakPolarHBondContact O-CB 3.47Å; A980-E984 PolarHBondContact O-N 2.68Å; A980-E984 VanDerWaalsContact O-N 3.16Å |
| 981 | L | 92.9 | Very high | 86.5 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -73.5 | -35.6 | 173.9 | -75.8 | 171.9 | 0 | 0 | 0 | 112.2 | F977 V978 D979 C985 L1026 R1029 I1030 H1033 F1336 | F977-L981 HydrophobicContact CD1-CD1 3.93Å; F977-L981 HydrophobicContact CD1-CG 4.42Å; F977-L981 HydrophobicContact CE1-CD1 3.7Å; F977-L981 HydrophobicContact CE1-CG 4.19Å; F977-L981 WeakPolarHBondContact O-CG 3.31Å; F977-L981 PolarHBondContact O-N 3.43Å; V978-L981 WeakPolarHBondContact O-CB 3.39Å; V978-L981 PolarHBondContact O-N 3.13Å; V978-L981 VanDerWaalsContact O-N 3.07Å; D979-L981 VanDerWaalsContact C-N 3.29Å; D979-L981 PolarHBondContact O-N 3.13Å; L981-C985 PolarHBondContact O-N 3.19Å; L981-L1026 HydrophobicContact CD2-CD1 3.78Å; L981-R1029 HydrophobicContact CD2-CB 4.18Å; L981-I1030 HydrophobicContact CB-CG1 4.34Å; L981-I1030 HydrophobicContact CD1-CG1 4.3Å; L981-I1030 HydrophobicContact CD2-CG1 4.23Å; L981-H1033 HydrophobicContact CD1-CB 4.3Å; L981-F1336 HydrophobicContact CB-CD2 3.76Å; L981-F1336 HydrophobicContact CB-CE2 3.7Å; L981-F1336 HydrophobicContact CD1-CD2 4Å |
| 982 | L | 93.3 | Very high | 87.5 | Confident | 14 Ų | 14 | 66.1 Ų | 66.1 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.1 | -48.4 | 178.8 | -180 | 59.5 | 0 | 0 | 0 | 111.1 | V978 D979 E984 C985 K986 F1336 E1342 Q1345 F1346 | V978-L982 PolarHBondContact O-N 2.95Å; D979-L982 PolarHBondContact O-N 3.38Å; D979-L982 VanDerWaalsContact O-N 3.12Å; L982-E984 VanDerWaalsContact C-N 3.35Å; L982-E984 PolarHBondContact O-N 2.86Å; L982-C985 WeakPolarHBondContact O-CA 3.39Å; L982-C985 WeakPolarHBondContact O-CB 3.47Å; L982-C985 PolarHBondContact O-N 3.41Å; L982-C985 VanDerWaalsContact O-N 3.08Å; L982-K986 WeakPolarHBondContact O-CB 3.23Å; L982-K986 PolarHBondContact O-N 2.85Å; L982-F1336 HydrophobicContact CB-CE2 4.03Å; L982-F1336 HydrophobicContact CB-CZ 4.21Å; L982-F1336 HydrophobicContact CD1-CZ 4.34Å; L982-E1342 HydrophobicContact CD2-CB 4.06Å; L982-E1342 HydrophobicContact CD2-CG 4.25Å; L982-Q1345 HydrophobicContact CD1-CB 3.97Å; L982-Q1345 HydrophobicContact CD2-CB 4.2Å; L982-F1346 HydrophobicContact CD1-CB 4.08Å |
| 983 | E | 91 | Very high | 88 | Confident | 98 Ų | 98 | 62 Ų | 62 | 46% | 0.458 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 174.5 | -85.2 | -62.5 | 157.1 | 0 | 0 | 112.2 | D979 C985 K986 H987 | D979-E983 PolarHBondContact O-N 3.17Å; E983-C985 VanDerWaalsContact C-N 3.28Å; E983-C985 PolarHBondContact O-N 3.48Å; E983-K986 PolarHBondContact O-N 3.33Å; E983-K986 WeakPolarHBondContact OE1-CD 3.48Å; E983-K986 VanDerWaalsContact OE1-CE 3.3Å; E983-K986 WeakPolarHBondContact OE1-CE 3.43Å; E983-K986 IonicContact OE1-NZ 2.85Å; E983-K986 PolarHBondContact OE1-NZ 3.45Å; E983-K986 WeakPolarHBondContact OE2-CD 3.4Å; E983-K986 IonicContact OE2-NZ 3.2Å; E983-H987 VanDerWaalsContact O-CB 3.25Å; E983-H987 WeakPolarHBondContact O-CB 3.33Å; E983-H987 PolarHBondContact O-N 3.36Å |
| 984 | E | 93 | Very high | 87.8 | Confident | 52 Ų | 52 | 64.5 Ų | 64.5 | 24% | 0.243 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.3 | -35.1 | 172.7 | -157.9 | -164.4 | 148.7 | 0 | 0 | 111.8 | A980 L982 R988 L1026 R1029 | A980-E984 WeakPolarHBondContact O-CB 3.47Å; A980-E984 PolarHBondContact O-N 2.68Å; A980-E984 VanDerWaalsContact O-N 3.16Å; L982-E984 VanDerWaalsContact C-N 3.35Å; L982-E984 PolarHBondContact O-N 2.86Å; E984-R988 VanDerWaalsContact O-CB 3.27Å; E984-R988 WeakPolarHBondContact O-CB 3.19Å; E984-R988 VanDerWaalsContact O-CG 3.28Å; E984-R988 WeakPolarHBondContact O-CG 3Å; E984-R988 PolarHBondContact O-N 3.29Å; E984-R988 IonicContact OE1-CZ 2.7Å; E984-R988 IonicContact OE1-NE 2.72Å; E984-R988 PolarHBondContact OE1-NE 2.75Å; E984-R988 IonicContact OE1-NH2 2.66Å; E984-R988 PolarHBondContact OE1-NH2 3.19Å; E984-L1026 HydrophobicContact CB-CD1 4.38Å; E984-R1029 IonicContact OE1-CZ 2.86Å; E984-R1029 IonicContact OE1-NH1 3.24Å; E984-R1029 IonicContact OE1-NH2 2.69Å; E984-R1029 PolarHBondContact OE1-NH2 3.2Å; E984-R1029 IonicContact OE2-CZ 3.22Å; E984-R1029 VanDerWaalsContact OE2-CZ 3.24Å; E984-R1029 IonicContact OE2-NH1 2.7Å; E984-R1029 PolarHBondContact OE2-NH1 3.01Å; E984-R1029 IonicContact OE2-NH2 3.31Å; E984-R1029 PolarHBondContact OE2-NH2 2.47Å |
| 985 | C | 93.7 | Very high | 87.3 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.2 | -51 | 174.5 | -164.8 | 0 | 0 | 0 | 0 | 112 | L981 L982 E983 H987 R988 A989 L1026 F1346 | L981-C985 PolarHBondContact O-N 3.19Å; L982-C985 WeakPolarHBondContact O-CA 3.39Å; L982-C985 WeakPolarHBondContact O-CB 3.47Å; L982-C985 PolarHBondContact O-N 3.41Å; L982-C985 VanDerWaalsContact O-N 3.08Å; E983-C985 VanDerWaalsContact C-N 3.28Å; E983-C985 PolarHBondContact O-N 3.48Å; C985-H987 VanDerWaalsContact C-N 3.34Å; C985-H987 PolarHBondContact O-N 3.4Å; C985-R988 PolarHBondContact O-N 3.34Å; C985-A989 VanDerWaalsContact O-CB 3.31Å; C985-A989 WeakPolarHBondContact O-CB 3.25Å; C985-A989 PolarHBondContact O-N 2.86Å; C985-L1026 VanDerWaalsContact CA-CD2 3.43Å; C985-L1026 HydrophobicContact CB-CD2 3.73Å; C985-F1346 HydrophobicContact CB-CD2 4.21Å; C985-F1346 VanDerWaalsContact SG-CD2 3.5Å |
| 986 | K | 91.5 | Very high | 86.6 | Confident | 80 Ų | 80 | 61.4 Ų | 61.4 | 35% | 0.348 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -53.7 | -48.7 | 175 | 167.8 | 169.6 | 167.5 | -171.3 | 0 | 111.7 | L982 E983 K990 H1349 | L982-K986 WeakPolarHBondContact O-CB 3.23Å; L982-K986 PolarHBondContact O-N 2.85Å; E983-K986 PolarHBondContact O-N 3.33Å; E983-K986 WeakPolarHBondContact OE1-CD 3.48Å; E983-K986 VanDerWaalsContact OE1-CE 3.3Å; E983-K986 WeakPolarHBondContact OE1-CE 3.43Å; E983-K986 IonicContact OE1-NZ 2.85Å; E983-K986 PolarHBondContact OE1-NZ 3.45Å; E983-K986 WeakPolarHBondContact OE2-CD 3.4Å; E983-K986 IonicContact OE2-NZ 3.2Å; K986-K990 VanDerWaalsContact O-CB 3.26Å; K986-K990 WeakPolarHBondContact O-CB 3.34Å; K986-K990 PolarHBondContact O-N 3.05Å; K986-H1349 VanDerWaalsContact CG-NE2 3.34Å; K986-H1349 WeakPolarHBondContact CG-NE2 3.41Å |
| 987 | H | 89.2 | Confident | 85.6 | Confident | 132 Ų | 132 | 61.4 Ų | 61.4 | 61% | 0.611 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68.9 | -38.6 | 179.1 | -156.1 | 105.4 | 0 | 0 | 0 | 112.6 | E983 C985 R991 | E983-H987 VanDerWaalsContact O-CB 3.25Å; E983-H987 WeakPolarHBondContact O-CB 3.33Å; E983-H987 PolarHBondContact O-N 3.36Å; C985-H987 VanDerWaalsContact C-N 3.34Å; C985-H987 PolarHBondContact O-N 3.4Å; H987-R991 WeakPolarHBondContact O-CB 3.33Å; H987-R991 PolarHBondContact O-N 2.87Å |
| 988 | R | 90.1 | Very high | 84 | Confident | 79 Ų | 79 | 57.5 Ų | 57.5 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.5 | -45.8 | 174.5 | -79.1 | -174.2 | -171.6 | -92.1 | 0.2 | 112.6 | E984 C985 R991 M992 G1022 | E984-R988 VanDerWaalsContact O-CB 3.27Å; E984-R988 WeakPolarHBondContact O-CB 3.19Å; E984-R988 VanDerWaalsContact O-CG 3.28Å; E984-R988 WeakPolarHBondContact O-CG 3Å; E984-R988 PolarHBondContact O-N 3.29Å; E984-R988 IonicContact OE1-CZ 2.7Å; E984-R988 IonicContact OE1-NE 2.72Å; E984-R988 PolarHBondContact OE1-NE 2.75Å; E984-R988 IonicContact OE1-NH2 2.66Å; E984-R988 PolarHBondContact OE1-NH2 3.19Å; C985-R988 PolarHBondContact O-N 3.34Å; R988-R991 PolarHBondContact O-N 3.07Å; R988-M992 WeakPolarHBondContact O-CB 3.37Å; R988-M992 WeakPolarHBondContact O-CG 3.21Å; R988-M992 PolarHBondContact O-N 3.27Å; R988-G1022 PolarHBondContact NH1-O 2.87Å |
| 989 | A | 89.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.1 | -51.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | C985 R991 M992 V993 H1349 L1353 | C985-A989 VanDerWaalsContact O-CB 3.31Å; C985-A989 WeakPolarHBondContact O-CB 3.25Å; C985-A989 PolarHBondContact O-N 2.86Å; A989-R991 VanDerWaalsContact C-N 3.3Å; A989-R991 PolarHBondContact O-N 3.24Å; A989-M992 PolarHBondContact O-N 3.35Å; A989-M992 VanDerWaalsContact O-N 3.1Å; A989-V993 WeakPolarHBondContact O-CG2 3.21Å; A989-V993 PolarHBondContact O-N 2.9Å; A989-H1349 HydrophobicContact CB-CB 4.35Å; A989-H1349 VanDerWaalsContact CB-O 3.24Å; A989-H1349 WeakPolarHBondContact CB-O 3.42Å; A989-L1353 HydrophobicContact CB-CD2 4.48Å |
| 990 | K | 85.2 | Confident | 80.4 | Confident | 143 Ų | 143 | 58 Ų | 58 | 62% | 0.622 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -58.9 | -39.8 | 175.1 | -171.5 | 167.9 | -176.3 | 170.4 | 0 | 111.9 | K986 L994 | K986-K990 VanDerWaalsContact O-CB 3.26Å; K986-K990 WeakPolarHBondContact O-CB 3.34Å; K986-K990 PolarHBondContact O-N 3.05Å; K990-L994 HydrophobicContact CG-CD1 3.87Å; K990-L994 HydrophobicContact CG-CG 4.32Å; K990-L994 VanDerWaalsContact O-CB 3.23Å; K990-L994 WeakPolarHBondContact O-CB 3.39Å; K990-L994 VanDerWaalsContact O-CG 3.3Å; K990-L994 WeakPolarHBondContact O-CG 3.16Å; K990-L994 PolarHBondContact O-N 3.23Å |
| 991 | R | 84 | Confident | 77.8 | Confident | 135 Ų | 135 | 58.2 Ų | 58.2 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.9 | -35.9 | 174.9 | -175.1 | 174.6 | -179.6 | -176.8 | 0.4 | 113.1 | H987 R988 A989 K995 | H987-R991 WeakPolarHBondContact O-CB 3.33Å; H987-R991 PolarHBondContact O-N 2.87Å; R988-R991 PolarHBondContact O-N 3.07Å; A989-R991 VanDerWaalsContact C-N 3.3Å; A989-R991 PolarHBondContact O-N 3.24Å; R991-K995 HydrophobicContact CG-CG 4.41Å; R991-K995 WeakPolarHBondContact O-CB 3.34Å; R991-K995 WeakPolarHBondContact O-CG 3.2Å; R991-K995 PolarHBondContact O-N 3.1Å |
| 992 | M | 86.7 | Confident | 75.1 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.3 | -47.6 | 176 | -78.8 | -179.9 | 64.9 | 0 | 0 | 111.4 | R988 A989 K995 K996 L1019 V1020 L1023 L1308 L1353 Y1358 | R988-M992 WeakPolarHBondContact O-CB 3.37Å; R988-M992 WeakPolarHBondContact O-CG 3.21Å; R988-M992 PolarHBondContact O-N 3.27Å; A989-M992 PolarHBondContact O-N 3.35Å; A989-M992 VanDerWaalsContact O-N 3.1Å; M992-K995 PolarHBondContact O-N 2.58Å; M992-K996 WeakPolarHBondContact O-CB 3.31Å; M992-K996 PolarHBondContact O-N 3.36Å; M992-L1019 HydrophobicContact CG-CB 3.97Å; M992-L1019 HydrophobicContact CG-CD1 4.4Å; M992-L1019 HydrophobicContact CG-CD2 4.2Å; M992-L1019 HydrophobicContact CG-CG 4.42Å; M992-L1019 HydrophobicContact SD-CB 4.37Å; M992-V1020 HydrophobicContact CE-CG2 3.78Å; M992-L1023 HydrophobicContact CE-CD2 4.19Å; M992-L1023 HydrophobicContact SD-CB 4.04Å; M992-L1023 HydrophobicContact SD-CD2 4.12Å; M992-L1023 HydrophobicContact SD-CG 4.5Å; M992-L1308 HydrophobicContact CE-CD1 4.47Å; M992-L1353 HydrophobicContact CB-CD2 3.79Å; M992-L1353 HydrophobicContact CE-CD2 4.13Å; M992-L1353 HydrophobicContact SD-CD2 4.28Å; M992-Y1358 HydrophobicContact CE-CE1 3.76Å |
| 993 | V | 82.5 | Confident | 72.5 | Confident | 22 Ų | 22 | 62.4 Ų | 62.4 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.6 | -52.4 | 175.5 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | A989 K995 K996 I997 S1352 L1353 V1356 | A989-V993 WeakPolarHBondContact O-CG2 3.21Å; A989-V993 PolarHBondContact O-N 2.9Å; V993-K995 PolarHBondContact O-N 3.38Å; V993-K996 PolarHBondContact O-N 2.92Å; V993-K996 VanDerWaalsContact O-N 3.17Å; V993-I997 HydrophobicContact CG1-CD1 3.54Å; V993-I997 HydrophobicContact CG1-CG1 4.16Å; V993-I997 WeakPolarHBondContact O-CB 3.33Å; V993-I997 WeakPolarHBondContact O-CG1 3.4Å; V993-I997 PolarHBondContact O-N 2.91Å; V993-S1352 WeakPolarHBondContact CG2-O 3.26Å; V993-L1353 HydrophobicContact CG2-CD2 4.22Å; V993-V1356 HydrophobicContact CG1-CG2 4.36Å |
| 994 | L | 73.3 | Confident | 69.8 | Low | 110 Ų | 110 | 62.8 Ų | 62.8 | 58% | 0.576 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.4 | -39.2 | 178.1 | -74 | 175.5 | 0 | 0 | 0 | 112.9 | K990 K996 G998 | K990-L994 HydrophobicContact CG-CD1 3.87Å; K990-L994 HydrophobicContact CG-CG 4.32Å; K990-L994 VanDerWaalsContact O-CB 3.23Å; K990-L994 WeakPolarHBondContact O-CB 3.39Å; K990-L994 VanDerWaalsContact O-CG 3.3Å; K990-L994 WeakPolarHBondContact O-CG 3.16Å; K990-L994 PolarHBondContact O-N 3.23Å; L994-K996 VanDerWaalsContact C-N 3.33Å; L994-K996 PolarHBondContact O-N 3.35Å; L994-G998 VanDerWaalsContact O-CA 3.3Å; L994-G998 WeakPolarHBondContact O-CA 3.45Å; L994-G998 PolarHBondContact O-N 2.9Å |
| 995 | K | 72.4 | Confident | 66.8 | Low | 66 Ų | 66 | 61.8 Ų | 61.8 | 29% | 0.287 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.8 | -37 | 174.5 | -89.3 | -132.7 | 148.1 | -165.5 | 0 | 111.7 | R991 M992 V993 G998 Q999 E1015 L1019 | R991-K995 HydrophobicContact CG-CG 4.41Å; R991-K995 WeakPolarHBondContact O-CB 3.34Å; R991-K995 WeakPolarHBondContact O-CG 3.2Å; R991-K995 PolarHBondContact O-N 3.1Å; M992-K995 PolarHBondContact O-N 2.58Å; V993-K995 PolarHBondContact O-N 3.38Å; K995-G998 CarbonylContact O-C 3.47Å; K995-Q999 WeakPolarHBondContact O-CB 3.46Å; K995-Q999 PolarHBondContact O-N 3.47Å; K995-E1015 IonicContact NZ-OE1 2.59Å; K995-E1015 PolarHBondContact NZ-OE1 3.13Å; K995-E1015 IonicContact NZ-OE2 3.66Å; K995-E1015 PolarHBondContact NZ-OE2 3.39Å; K995-L1019 HydrophobicContact CB-CD1 4.1Å; K995-L1019 HydrophobicContact CD-CD1 4.16Å; K995-L1019 HydrophobicContact CG-CD1 4.46Å |
| 996 | K | 69.5 | Low | 63.8 | Low | 22 Ų | 22 | 68.7 Ų | 68.7 | 10% | 0.096 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -91.9 | -31.4 | -173.4 | -156.2 | 171.8 | 174.2 | 64.4 | 0 | 114.8 | M992 V993 L994 G998 Q999 E1000 E1016 V1356 D1357 Y1358 | M992-K996 WeakPolarHBondContact O-CB 3.31Å; M992-K996 PolarHBondContact O-N 3.36Å; V993-K996 PolarHBondContact O-N 2.92Å; V993-K996 VanDerWaalsContact O-N 3.17Å; L994-K996 VanDerWaalsContact C-N 3.33Å; L994-K996 PolarHBondContact O-N 3.35Å; K996-G998 VanDerWaalsContact C-N 3.31Å; K996-Q999 HydrophobicContact CG-CB 4.3Å; K996-Q999 WeakPolarHBondContact O-CB 3.32Å; K996-Q999 PolarHBondContact O-N 3.42Å; K996-E1000 WeakPolarHBondContact O-CG 3.35Å; K996-E1000 PolarHBondContact O-N 2.88Å; K996-E1016 WeakPolarHBondContact CE-OE2 3.25Å; K996-E1016 IonicContact NZ-OE2 3.98Å; K996-E1016 PolarHBondContact NZ-OE2 3.21Å; K996-V1356 HydrophobicContact CB-CG1 3.84Å; K996-V1356 HydrophobicContact CD-CG1 3.82Å; K996-V1356 HydrophobicContact CG-CG1 3.62Å; K996-D1357 WeakPolarHBondContact CE-O 3.05Å; K996-Y1358 HydrophobicContact CD-CD1 4.17Å; K996-Y1358 HydrophobicContact CD-CE1 3.9Å |
| 997 | I | 62 | Low | 60.8 | Low | 85 Ų | 85 | 69.4 Ų | 69.4 | 44% | 0.436 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 160.6 | -64.5 | 179.6 | 0 | 0 | 0 | 109.5 | V993 Q999 E1000 A1001 V1356 | V993-I997 HydrophobicContact CG1-CD1 3.54Å; V993-I997 HydrophobicContact CG1-CG1 4.16Å; V993-I997 WeakPolarHBondContact O-CB 3.33Å; V993-I997 WeakPolarHBondContact O-CG1 3.4Å; V993-I997 PolarHBondContact O-N 2.91Å; I997-Q999 VanDerWaalsContact C-N 3.29Å; I997-Q999 PolarHBondContact O-N 2.87Å; I997-E1000 PolarHBondContact O-N 2.91Å; I997-A1001 WeakPolarHBondContact O-CB 3.45Å; I997-A1001 PolarHBondContact O-N 3.47Å; I997-V1356 HydrophobicContact CD1-CG2 4.42Å; I997-V1356 HydrophobicContact CG1-CG2 3.83Å |
| 998 | G | 54.1 | Low | 58.1 | Low | 21 Ų | 21 | 66 Ų | 66 | 22% | 0.216 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.8 | -39.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L994 K995 K996 A1001 I1002 | L994-G998 VanDerWaalsContact O-CA 3.3Å; L994-G998 WeakPolarHBondContact O-CA 3.45Å; L994-G998 PolarHBondContact O-N 2.9Å; K995-G998 CarbonylContact O-C 3.47Å; K996-G998 VanDerWaalsContact C-N 3.31Å; G998-A1001 CarbonylContact O-C 3.58Å; G998-A1001 PolarHBondContact O-N 2.95Å; G998-I1002 WeakPolarHBondContact O-CB 3.43Å; G998-I1002 WeakPolarHBondContact O-CD1 3.47Å; G998-I1002 WeakPolarHBondContact O-CG1 3.43Å; G998-I1002 PolarHBondContact O-N 3.44Å |
| 999 | Q | 53.5 | Low | 55.7 | Low | 28 Ų | 28 | 62.8 Ų | 62.8 | 13% | 0.131 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 174.4 | -151 | 81.1 | 53 | 0 | 0 | 110.6 | K995 K996 I997 A1001 I1002 E1003 S1012 | K995-Q999 WeakPolarHBondContact O-CB 3.46Å; K995-Q999 PolarHBondContact O-N 3.47Å; K996-Q999 HydrophobicContact CG-CB 4.3Å; K996-Q999 WeakPolarHBondContact O-CB 3.32Å; K996-Q999 PolarHBondContact O-N 3.42Å; I997-Q999 VanDerWaalsContact C-N 3.29Å; I997-Q999 PolarHBondContact O-N 2.87Å; Q999-A1001 VanDerWaalsContact C-N 3.27Å; Q999-A1001 PolarHBondContact O-N 3.11Å; Q999-I1002 PolarHBondContact O-N 2.87Å; Q999-E1003 HydrophobicContact CG-CG 4.35Å; Q999-E1003 WeakPolarHBondContact O-CA 3.48Å; Q999-E1003 WeakPolarHBondContact O-CB 3.4Å; Q999-E1003 VanDerWaalsContact O-CG 3.25Å; Q999-E1003 WeakPolarHBondContact O-CG 3.44Å; Q999-E1003 PolarHBondContact O-N 3.4Å; Q999-S1012 VanDerWaalsContact CD-OG 3.26Å; Q999-S1012 WeakPolarHBondContact CG-OG 3.35Å; Q999-S1012 PolarHBondContact NE2-OG 3.06Å |
| 1000 | E | 50 | Low | 53.2 | Low | 66 Ų | 66 | 67.6 Ų | 67.6 | 31% | 0.308 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.1 | -27.1 | 177.5 | -70.5 | 170.2 | -173.6 | 0 | 0 | 112.3 | K996 I997 V1356 | K996-E1000 WeakPolarHBondContact O-CG 3.35Å; K996-E1000 PolarHBondContact O-N 2.88Å; I997-E1000 PolarHBondContact O-N 2.91Å; E1000-V1356 VanDerWaalsContact OE1-CG1 3.24Å; E1000-V1356 WeakPolarHBondContact OE1-CG1 3.39Å |
| 1001 | A | 36.6 | Very low | 51.3 | Low | 63 Ų | 63 | 65.5 Ų | 65.5 | 52% | 0.521 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -86 | -19.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I997 G998 Q999 M1004 | I997-A1001 WeakPolarHBondContact O-CB 3.45Å; I997-A1001 PolarHBondContact O-N 3.47Å; G998-A1001 CarbonylContact O-C 3.58Å; G998-A1001 PolarHBondContact O-N 2.95Å; Q999-A1001 VanDerWaalsContact C-N 3.27Å; Q999-A1001 PolarHBondContact O-N 3.11Å; A1001-M1004 VanDerWaalsContact O-CB 3.27Å; A1001-M1004 WeakPolarHBondContact O-CB 3.46Å; A1001-M1004 PolarHBondContact O-N 3.22Å |
| 1002 | I | 36.9 | Very low | 49.9 | Very low | 77 Ų | 77 | 59.2 Ų | 59.2 | 40% | 0.395 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -104.2 | -21.3 | 179 | -66.1 | 167.1 | 0 | 0 | 0 | 111.1 | G998 Q999 M1004 G1005 H1006 C1007 | G998-I1002 WeakPolarHBondContact O-CB 3.43Å; G998-I1002 WeakPolarHBondContact O-CD1 3.47Å; G998-I1002 WeakPolarHBondContact O-CG1 3.43Å; G998-I1002 PolarHBondContact O-N 3.44Å; Q999-I1002 PolarHBondContact O-N 2.87Å; I1002-M1004 PolarHBondContact O-N 3.42Å; I1002-G1005 CarbonylContact O-C 3.14Å; I1002-G1005 WeakPolarHBondContact O-CA 3.3Å; I1002-G1005 PolarHBondContact O-N 3.15Å; I1002-H1006 PolarHBondContact O-N 3.15Å; I1002-C1007 HydrophobicContact CG2-CB 3.79Å |
| 1003 | E | 39.1 | Very low | 48.6 | Very low | 27 Ų | 27 | 60.9 Ų | 60.9 | 13% | 0.126 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 1 | 150.9 | -65.3 | 173.8 | -179.8 | 0 | 0 | 110.4 | Q999 S1012 K1552 T1558 M1559 | Q999-E1003 HydrophobicContact CG-CG 4.35Å; Q999-E1003 WeakPolarHBondContact O-CA 3.48Å; Q999-E1003 WeakPolarHBondContact O-CB 3.4Å; Q999-E1003 VanDerWaalsContact O-CG 3.25Å; Q999-E1003 WeakPolarHBondContact O-CG 3.44Å; Q999-E1003 PolarHBondContact O-N 3.4Å; E1003-S1012 PolarHBondContact OE1-OG 3.2Å; E1003-K1552 WeakPolarHBondContact O-CD 3.28Å; E1003-K1552 VanDerWaalsContact O-CE 3.28Å; E1003-K1552 WeakPolarHBondContact O-CE 3.48Å; E1003-K1552 PolarHBondContact O-NZ 3.47Å; E1003-T1558 PolarHBondContact OE1-OG1 3.12Å; E1003-M1559 HydrophobicContact CB-CE 3.73Å; E1003-M1559 HydrophobicContact CB-CG 4.04Å; E1003-M1559 HydrophobicContact CB-SD 3.98Å; E1003-M1559 HydrophobicContact CG-CG 4.45Å; E1003-M1559 WeakPolarHBondContact OE2-CE 3.49Å |
| 1004 | M | 34.1 | Very low | 47.9 | Very low | 106 Ų | 106 | 64.2 Ų | 64.2 | 52% | 0.522 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -1.4 | 156.2 | -75.1 | -76.5 | -83.1 | 0 | 0 | 114.9 | A1001 I1002 K1552 | A1001-M1004 VanDerWaalsContact O-CB 3.27Å; A1001-M1004 WeakPolarHBondContact O-CB 3.46Å; A1001-M1004 PolarHBondContact O-N 3.22Å; I1002-M1004 PolarHBondContact O-N 3.42Å; M1004-K1552 VanDerWaalsContact CA-CE 3.44Å; M1004-K1552 VanDerWaalsContact O-CE 3.29Å; M1004-K1552 WeakPolarHBondContact O-CE 3.34Å; M1004-K1552 PolarHBondContact SD-NZ 3.41Å |
| 1005 | G | 29.5 | Very low | 47.7 | Very low | 31 Ų | 31 | 61.8 Ų | 61.8 | 32% | 0.32 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -178.4 | 106.9 | 168 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1002 | I1002-G1005 CarbonylContact O-C 3.14Å; I1002-G1005 WeakPolarHBondContact O-CA 3.3Å; I1002-G1005 PolarHBondContact O-N 3.15Å |
| 1006 | H | 30.7 | Very low | 47.9 | Very low | 146 Ų | 146 | 59 Ų | 59 | 68% | 0.676 | 33% | 0.332 | S | S | * | . | trans | 56.7 | 92.4 | 166.2 | -52.7 | -69.9 | 0 | 0 | 0 | 119.7 | I1002 | I1002-H1006 PolarHBondContact O-N 3.15Š| ||
| 1007 | C | 28.3 | Very low | 48.5 | Very low | 96 Ų | 96 | 60.3 Ų | 60.3 | 65% | 0.649 | 34% | 0.34 | S | S | * | . | trans | -164.3 | 170.7 | 146.9 | -106.7 | 0 | 0 | 0 | 0 | 113.4 | I1002 P1009 | I1002-C1007 HydrophobicContact CG2-CB 3.79Å; C1007-P1009 WeakPolarHBondContact O-CD 3.27Å | ||
| 1008 | D | 31.9 | Very low | 49.6 | Very low | 59 Ų | 59 | 60.7 Ų | 60.7 | 32% | 0.316 | 35% | 0.346 | S | S | . | . | trans | -81.5 | 113 | -172.2 | -128.6 | -71.4 | 0 | 0 | 0 | 114 | N1010 I1011 S1012 N1555 | D1008-N1010 PolarHBondContact O-N 2.97Å; D1008-I1011 HydrophobicContact CB-CD1 3.91Å; D1008-I1011 HydrophobicContact CB-CG1 4.15Å; D1008-I1011 WeakPolarHBondContact O-CB 3.14Å; D1008-I1011 PolarHBondContact O-N 2.96Å; D1008-S1012 PolarHBondContact O-N 3.22Å; D1008-N1555 VanDerWaalsContact OD1-CB 3.27Å; D1008-N1555 WeakPolarHBondContact OD1-CB 3.33Å; D1008-N1555 PolarHBondContact OD1-ND2 3.12Å; D1008-N1555 PolarHBondContact OD2-ND2 2.71Å | ||
| 1009 | P | 39.3 | Very low | 51.2 | Low | 12 Ų | 12 | 61.3 Ų | 61.3 | 8% | 0.078 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.7 | -22.5 | -174.6 | 25 | -35.6 | 0 | 0 | 0 | 115.4 | C1007 I1011 S1012 V1013 N1555 T1556 | C1007-P1009 WeakPolarHBondContact O-CD 3.27Å; P1009-I1011 PolarHBondContact O-N 3.49Å; P1009-S1012 VanDerWaalsContact O-CB 3.28Å; P1009-S1012 WeakPolarHBondContact O-CB 3.3Å; P1009-S1012 PolarHBondContact O-N 3.17Å; P1009-S1012 VanDerWaalsContact O-N 3.1Å; P1009-V1013 PolarHBondContact O-N 2.9Å; P1009-V1013 VanDerWaalsContact O-N 3.16Å; P1009-N1555 VanDerWaalsContact CG-C 3.41Å; P1009-N1555 HydrophobicContact CG-CB 4.37Å; P1009-N1555 WeakPolarHBondContact CG-O 3.3Å; P1009-T1556 VanDerWaalsContact CG-N 3.31Å; P1009-T1556 WeakPolarHBondContact CG-O 3.07Å |
| 1010 | N | 38.1 | Very low | 52.9 | Low | 101 Ų | 101 | 60 Ų | 60 | 54% | 0.54 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.6 | -26.3 | 170.6 | -81.6 | -54.1 | 0 | 0 | 0 | 111.9 | D1008 V1014 | D1008-N1010 PolarHBondContact O-N 2.97Å; N1010-V1014 VanDerWaalsContact O-CG2 3.3Å; N1010-V1014 WeakPolarHBondContact O-CG2 3.3Å |
| 1011 | I | 45.8 | Very low | 54.8 | Low | 99 Ų | 99 | 58.1 Ų | 58.1 | 51% | 0.508 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -76.2 | -43.1 | 171.3 | -57.6 | 175.4 | 0 | 0 | 0 | 109.7 | D1008 P1009 V1013 V1014 E1015 | D1008-I1011 HydrophobicContact CB-CD1 3.91Å; D1008-I1011 HydrophobicContact CB-CG1 4.15Å; D1008-I1011 WeakPolarHBondContact O-CB 3.14Å; D1008-I1011 PolarHBondContact O-N 2.96Å; P1009-I1011 PolarHBondContact O-N 3.49Å; I1011-V1013 PolarHBondContact O-N 2.9Å; I1011-V1014 PolarHBondContact O-N 3.42Å; I1011-E1015 HydrophobicContact CG2-CG 3.92Å; I1011-E1015 WeakPolarHBondContact O-CB 3.39Å; I1011-E1015 WeakPolarHBondContact O-CG 3.36Å; I1011-E1015 PolarHBondContact O-N 3.42Å |
| 1012 | S | 53.4 | Low | 57.3 | Low | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -48.7 | -53.5 | 176.6 | -176.9 | 0 | 0 | 0 | 0 | 112.9 | Q999 E1003 D1008 P1009 V1014 E1015 E1016 | Q999-S1012 VanDerWaalsContact CD-OG 3.26Å; Q999-S1012 WeakPolarHBondContact CG-OG 3.35Å; Q999-S1012 PolarHBondContact NE2-OG 3.06Å; E1003-S1012 PolarHBondContact OE1-OG 3.2Å; D1008-S1012 PolarHBondContact O-N 3.22Å; P1009-S1012 VanDerWaalsContact O-CB 3.28Å; P1009-S1012 WeakPolarHBondContact O-CB 3.3Å; P1009-S1012 PolarHBondContact O-N 3.17Å; P1009-S1012 VanDerWaalsContact O-N 3.1Å; S1012-V1014 PolarHBondContact O-N 3.39Å; S1012-E1015 PolarHBondContact O-N 3.37Å; S1012-E1016 WeakPolarHBondContact O-CB 3.2Å; S1012-E1016 PolarHBondContact O-N 3.13Å |
| 1013 | V | 60.3 | Low | 60.1 | Low | 39 Ų | 39 | 51.9 Ų | 51.9 | 24% | 0.236 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.4 | -35.1 | -177.1 | -177.6 | 0 | 0 | 0 | 0 | 113 | P1009 I1011 N1017 T1558 | P1009-V1013 PolarHBondContact O-N 2.9Å; P1009-V1013 VanDerWaalsContact O-N 3.16Å; I1011-V1013 PolarHBondContact O-N 2.9Å; V1013-N1017 PolarHBondContact O-N 2.78Å; V1013-N1017 PolarHBondContact O-ND2 3.15Å; V1013-T1558 HydrophobicContact CG2-CG2 3.35Å |
| 1014 | V | 67 | Low | 62.7 | Low | 92 Ų | 92 | 50.9 Ų | 50.9 | 56% | 0.558 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -74.8 | -38.7 | 178.9 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | N1010 I1011 S1012 N1017 T1018 | N1010-V1014 VanDerWaalsContact O-CG2 3.3Å; N1010-V1014 WeakPolarHBondContact O-CG2 3.3Å; I1011-V1014 PolarHBondContact O-N 3.42Å; S1012-V1014 PolarHBondContact O-N 3.39Å; V1014-N1017 PolarHBondContact O-N 3.25Å; V1014-T1018 VanDerWaalsContact O-CB 3.32Å; V1014-T1018 WeakPolarHBondContact O-CB 3.38Å; V1014-T1018 PolarHBondContact O-N 3.25Å; V1014-T1018 PolarHBondContact O-OG1 3.19Å |
| 1015 | E | 69.7 | Low | 65.6 | Low | 58 Ų | 58 | 48.9 Ų | 48.9 | 27% | 0.271 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.6 | -43.1 | 174.1 | -75.3 | -157 | 113.1 | 0 | 0 | 112.2 | K995 I1011 S1012 N1017 T1018 L1019 | K995-E1015 IonicContact NZ-OE1 2.59Å; K995-E1015 PolarHBondContact NZ-OE1 3.13Å; K995-E1015 IonicContact NZ-OE2 3.66Å; K995-E1015 PolarHBondContact NZ-OE2 3.39Å; I1011-E1015 HydrophobicContact CG2-CG 3.92Å; I1011-E1015 WeakPolarHBondContact O-CB 3.39Å; I1011-E1015 WeakPolarHBondContact O-CG 3.36Å; I1011-E1015 PolarHBondContact O-N 3.42Å; S1012-E1015 PolarHBondContact O-N 3.37Å; E1015-N1017 VanDerWaalsContact C-N 3.3Å; E1015-N1017 PolarHBondContact O-N 3.48Å; E1015-T1018 PolarHBondContact O-N 3.43Å; E1015-T1018 VanDerWaalsContact O-N 3.14Å; E1015-L1019 WeakPolarHBondContact O-CB 3.18Å; E1015-L1019 VanDerWaalsContact O-CG 3.26Å; E1015-L1019 WeakPolarHBondContact O-CG 3.37Å; E1015-L1019 PolarHBondContact O-N 3.36Å |
| 1016 | E | 76.7 | Confident | 68.7 | Low | 9 Ų | 9 | 47.4 Ų | 47.4 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.2 | -47.6 | 173.4 | -171 | -171.9 | 119.5 | 0 | 0 | 110.4 | K996 S1012 T1018 L1019 V1020 Y1358 R1363 | K996-E1016 WeakPolarHBondContact CE-OE2 3.25Å; K996-E1016 IonicContact NZ-OE2 3.98Å; K996-E1016 PolarHBondContact NZ-OE2 3.21Å; S1012-E1016 WeakPolarHBondContact O-CB 3.2Å; S1012-E1016 PolarHBondContact O-N 3.13Å; E1016-T1018 PolarHBondContact O-N 2.98Å; E1016-L1019 PolarHBondContact O-N 3.11Å; E1016-V1020 WeakPolarHBondContact O-CB 3.46Å; E1016-V1020 VanDerWaalsContact O-CG2 3.26Å; E1016-V1020 WeakPolarHBondContact O-CG2 3.19Å; E1016-V1020 PolarHBondContact O-N 3.43Å; E1016-Y1358 HydrophobicContact CG-CD1 4.39Å; E1016-R1363 VanDerWaalsContact CD-NH1 3.26Å; E1016-R1363 IonicContact OE1-NH1 2.68Å; E1016-R1363 PolarHBondContact OE1-NH1 3.13Å; E1016-R1363 IonicContact OE2-NH1 3.21Å; E1016-R1363 PolarHBondContact OE2-NH1 3.35Å |
| 1017 | N | 82.2 | Confident | 71.8 | Confident | 49 Ų | 49 | 40.5 Ų | 40.5 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.2 | -36.2 | 177 | -87.7 | -72.7 | 0 | 0 | 0 | 113.7 | V1013 V1014 E1015 S1021 R1305 | V1013-N1017 PolarHBondContact O-N 2.78Å; V1013-N1017 PolarHBondContact O-ND2 3.15Å; V1014-N1017 PolarHBondContact O-N 3.25Å; E1015-N1017 VanDerWaalsContact C-N 3.3Å; E1015-N1017 PolarHBondContact O-N 3.48Å; N1017-S1021 VanDerWaalsContact O-CB 3.26Å; N1017-S1021 WeakPolarHBondContact O-CB 3.16Å; N1017-S1021 PolarHBondContact O-N 3.14Å; N1017-R1305 PolarHBondContact OD1-NH2 3.05Å |
| 1018 | T | 85.2 | Confident | 74.9 | Confident | 93 Ų | 93 | 37.1 Ų | 37.1 | 57% | 0.571 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -68.4 | -42.8 | 177.3 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | V1014 E1015 E1016 G1022 | V1014-T1018 VanDerWaalsContact O-CB 3.32Å; V1014-T1018 WeakPolarHBondContact O-CB 3.38Å; V1014-T1018 PolarHBondContact O-N 3.25Å; V1014-T1018 PolarHBondContact O-OG1 3.19Å; E1015-T1018 PolarHBondContact O-N 3.43Å; E1015-T1018 VanDerWaalsContact O-N 3.14Å; E1016-T1018 PolarHBondContact O-N 2.98Å; T1018-G1022 PolarHBondContact O-N 2.77Å |
| 1019 | L | 86.6 | Confident | 77.9 | Confident | 34 Ų | 34 | 38.5 Ų | 38.5 | 18% | 0.178 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.1 | -51.5 | 174.7 | -73.5 | 169.3 | 0 | 0 | 0 | 111.2 | M992 K995 E1015 E1016 S1021 G1022 L1023 | M992-L1019 HydrophobicContact CG-CB 3.97Å; M992-L1019 HydrophobicContact CG-CD1 4.4Å; M992-L1019 HydrophobicContact CG-CD2 4.2Å; M992-L1019 HydrophobicContact CG-CG 4.42Å; M992-L1019 HydrophobicContact SD-CB 4.37Å; K995-L1019 HydrophobicContact CB-CD1 4.1Å; K995-L1019 HydrophobicContact CD-CD1 4.16Å; K995-L1019 HydrophobicContact CG-CD1 4.46Å; E1015-L1019 WeakPolarHBondContact O-CB 3.18Å; E1015-L1019 VanDerWaalsContact O-CG 3.26Å; E1015-L1019 WeakPolarHBondContact O-CG 3.37Å; E1015-L1019 PolarHBondContact O-N 3.36Å; E1016-L1019 PolarHBondContact O-N 3.11Å; L1019-S1021 PolarHBondContact O-N 3.3Å; L1019-G1022 CarbonylContact O-C 3.5Å; L1019-G1022 WeakPolarHBondContact O-CA 3.4Å; L1019-G1022 PolarHBondContact O-N 3.08Å; L1019-G1022 VanDerWaalsContact O-N 3.11Å; L1019-L1023 PolarHBondContact O-N 2.73Å |
| 1020 | V | 89 | Confident | 80.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.9 | -37.2 | 179.4 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | M992 E1016 L1023 C1024 R1305 L1308 Y1358 | M992-V1020 HydrophobicContact CE-CG2 3.78Å; E1016-V1020 WeakPolarHBondContact O-CB 3.46Å; E1016-V1020 VanDerWaalsContact O-CG2 3.26Å; E1016-V1020 WeakPolarHBondContact O-CG2 3.19Å; E1016-V1020 PolarHBondContact O-N 3.43Å; V1020-L1023 PolarHBondContact O-N 3.32Å; V1020-C1024 PolarHBondContact O-N 3.07Å; V1020-C1024 PolarHBondContact O-SG 3.44Å; V1020-R1305 HydrophobicContact CG1-CG 3.76Å; V1020-L1308 HydrophobicContact CG1-CD1 4.06Å; V1020-L1308 HydrophobicContact CG2-CD1 4.14Å; V1020-Y1358 HydrophobicContact CG2-CD1 4.23Å; V1020-Y1358 HydrophobicContact CG2-CE1 4.38Å |
| 1021 | S | 89.7 | Confident | 83.3 | Confident | 26 Ų | 26 | 33.1 Ų | 33.1 | 18% | 0.182 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65 | -41.2 | 171.4 | -165.8 | 0 | 0 | 0 | 0 | 111.5 | N1017 L1019 L1023 C1024 D1025 R1301 | N1017-S1021 VanDerWaalsContact O-CB 3.26Å; N1017-S1021 WeakPolarHBondContact O-CB 3.16Å; N1017-S1021 PolarHBondContact O-N 3.14Å; L1019-S1021 PolarHBondContact O-N 3.3Å; S1021-L1023 VanDerWaalsContact C-N 3.3Å; S1021-L1023 PolarHBondContact O-N 2.59Å; S1021-C1024 WeakPolarHBondContact O-CB 3.48Å; S1021-C1024 PolarHBondContact O-N 3.26Å; S1021-C1024 VanDerWaalsContact O-N 3.17Å; S1021-D1025 VanDerWaalsContact O-CG 3.23Å; S1021-D1025 PolarHBondContact O-N 3.22Å; S1021-R1301 PolarHBondContact OG-NH2 3.37Å |
| 1022 | G | 90.8 | Very high | 85.5 | Confident | 10 Ų | 10 | 30.6 Ų | 30.6 | 10% | 0.103 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.7 | -32.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R988 T1018 L1019 D1025 L1026 | R988-G1022 PolarHBondContact NH1-O 2.87Å; T1018-G1022 PolarHBondContact O-N 2.77Å; L1019-G1022 CarbonylContact O-C 3.5Å; L1019-G1022 WeakPolarHBondContact O-CA 3.4Å; L1019-G1022 PolarHBondContact O-N 3.08Å; L1019-G1022 VanDerWaalsContact O-N 3.11Å; G1022-D1025 PolarHBondContact O-N 3.41Å; G1022-L1026 PolarHBondContact O-N 3.32Å; G1022-L1026 VanDerWaalsContact O-N 3.09Å |
| 1023 | L | 94.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.4 | -45.7 | 170.1 | -177.6 | 67.4 | 0 | 0 | 0 | 111.1 | M992 L1019 V1020 S1021 D1025 L1026 L1027 V1304 L1308 L1313 L1350 L1353 | M992-L1023 HydrophobicContact CE-CD2 4.19Å; M992-L1023 HydrophobicContact SD-CB 4.04Å; M992-L1023 HydrophobicContact SD-CD2 4.12Å; M992-L1023 HydrophobicContact SD-CG 4.5Å; L1019-L1023 PolarHBondContact O-N 2.73Å; V1020-L1023 PolarHBondContact O-N 3.32Å; S1021-L1023 VanDerWaalsContact C-N 3.3Å; S1021-L1023 PolarHBondContact O-N 2.59Å; L1023-D1025 PolarHBondContact O-N 3.29Å; L1023-L1026 PolarHBondContact O-N 3.48Å; L1023-L1026 VanDerWaalsContact O-N 3.15Å; L1023-L1027 HydrophobicContact CG-CD1 4.22Å; L1023-L1027 WeakPolarHBondContact O-CG 3.39Å; L1023-L1027 PolarHBondContact O-N 3.34Å; L1023-V1304 HydrophobicContact CD2-CG1 4.37Å; L1023-L1308 HydrophobicContact CD2-CD1 3.99Å; L1023-L1313 HydrophobicContact CD2-CD2 4Å; L1023-L1350 HydrophobicContact CD1-CD2 4.04Å; L1023-L1353 HydrophobicContact CD2-CD1 3.89Å |
| 1024 | C | 94.5 | Very high | 88.6 | Confident | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.034 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.2 | -39 | 175.3 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | V1020 S1021 L1027 E1028 R1301 | V1020-C1024 PolarHBondContact O-N 3.07Å; V1020-C1024 PolarHBondContact O-SG 3.44Å; S1021-C1024 WeakPolarHBondContact O-CB 3.48Å; S1021-C1024 PolarHBondContact O-N 3.26Å; S1021-C1024 VanDerWaalsContact O-N 3.17Å; C1024-L1027 PolarHBondContact O-N 3.34Å; C1024-E1028 PolarHBondContact O-N 2.69Å; C1024-R1301 HydrophobicContact CB-CG 3.73Å |
| 1025 | D | 94.1 | Very high | 89.7 | Confident | 64 Ų | 64 | 27.6 Ų | 27.6 | 34% | 0.342 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -80.5 | -15 | -178.3 | -61.1 | -23.3 | 0 | 0 | 0 | 113.2 | S1021 G1022 L1023 R1029 R1301 | S1021-D1025 VanDerWaalsContact O-CG 3.23Å; S1021-D1025 PolarHBondContact O-N 3.22Å; G1022-D1025 PolarHBondContact O-N 3.41Å; L1023-D1025 PolarHBondContact O-N 3.29Å; D1025-R1029 PolarHBondContact O-NE 2.8Å; D1025-R1301 IonicContact OD1-CZ 2.67Å; D1025-R1301 IonicContact OD1-NE 2.76Å; D1025-R1301 PolarHBondContact OD1-NE 3.04Å; D1025-R1301 IonicContact OD1-NH2 3.96Å; D1025-R1301 PolarHBondContact OD1-NH2 2.94Å; D1025-R1301 IonicContact OD2-NH2 2.61Å; D1025-R1301 PolarHBondContact OD2-NH2 2.87Å |
| 1026 | L | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -78 | -47.7 | 162.1 | 174.4 | 62 | 0 | 0 | 0 | 110.9 | L981 E984 C985 G1022 L1023 E1028 R1029 I1030 | L981-L1026 HydrophobicContact CD2-CD1 3.78Å; E984-L1026 HydrophobicContact CB-CD1 4.38Å; C985-L1026 VanDerWaalsContact CA-CD2 3.43Å; C985-L1026 HydrophobicContact CB-CD2 3.73Å; G1022-L1026 PolarHBondContact O-N 3.32Å; G1022-L1026 VanDerWaalsContact O-N 3.09Å; L1023-L1026 PolarHBondContact O-N 3.48Å; L1023-L1026 VanDerWaalsContact O-N 3.15Å; L1026-E1028 VanDerWaalsContact C-N 3.31Å; L1026-E1028 PolarHBondContact O-N 3.15Å; L1026-R1029 WeakPolarHBondContact O-CA 3.45Å; L1026-R1029 WeakPolarHBondContact O-CB 3.46Å; L1026-R1029 PolarHBondContact O-N 3.15Å; L1026-I1030 HydrophobicContact CD1-CD1 4.03Å; L1026-I1030 HydrophobicContact CD1-CG1 4.19Å; L1026-I1030 HydrophobicContact CD2-CD1 4.46Å; L1026-I1030 HydrophobicContact CG-CD1 3.91Å; L1026-I1030 HydrophobicContact CG-CG1 4.46Å; L1026-I1030 PolarHBondContact O-N 3.42Å |
| 1027 | L | 96 | Very high | 90.5 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.5 | -40.1 | 179 | -68.4 | 170.9 | 0 | 0 | 0 | 112.1 | L1023 C1024 R1029 I1030 W1031 L1044 V1304 L1317 F1346 L1350 | L1023-L1027 HydrophobicContact CG-CD1 4.22Å; L1023-L1027 WeakPolarHBondContact O-CG 3.39Å; L1023-L1027 PolarHBondContact O-N 3.34Å; C1024-L1027 PolarHBondContact O-N 3.34Å; L1027-R1029 VanDerWaalsContact C-N 3.3Å; L1027-R1029 PolarHBondContact O-N 3.34Å; L1027-I1030 PolarHBondContact O-N 3.26Å; L1027-W1031 HydrophobicContact CD2-CZ3 4.05Å; L1027-W1031 WeakPolarHBondContact O-CB 3.23Å; L1027-W1031 PolarHBondContact O-N 3.29Å; L1027-L1044 HydrophobicContact CB-CD2 4.25Å; L1027-V1304 HydrophobicContact CD1-CB 4.41Å; L1027-V1304 HydrophobicContact CD1-CG1 3.81Å; L1027-V1304 HydrophobicContact CD1-CG2 3.61Å; L1027-L1317 HydrophobicContact CD2-CD1 4.19Å; L1027-F1346 HydrophobicContact CD2-CE2 3.78Å; L1027-F1346 HydrophobicContact CD2-CZ 3.55Å; L1027-L1350 HydrophobicContact CD2-CD1 4.25Å |
| 1028 | E | 94.5 | Very high | 90.2 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 12% | 0.121 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.9 | -31.4 | 173.3 | -94.5 | -62.9 | 130.6 | 0 | 0 | 113.8 | C1024 L1026 S1032 K1038 S1042 A1043 L1044 | C1024-E1028 PolarHBondContact O-N 2.69Å; L1026-E1028 VanDerWaalsContact C-N 3.31Å; L1026-E1028 PolarHBondContact O-N 3.15Å; E1028-S1032 WeakPolarHBondContact O-CB 3.15Å; E1028-S1032 PolarHBondContact O-N 3.23Å; E1028-S1032 PolarHBondContact O-OG 2.97Å; E1028-K1038 IonicContact OE2-NZ 3.89Å; E1028-K1038 PolarHBondContact OE2-NZ 3.25Å; E1028-S1042 VanDerWaalsContact OE1-CA 3.3Å; E1028-S1042 WeakPolarHBondContact OE1-CA 3.27Å; E1028-S1042 VanDerWaalsContact OE1-CB 3.27Å; E1028-S1042 WeakPolarHBondContact OE1-CB 3.42Å; E1028-S1042 PolarHBondContact OE1-OG 3.23Å; E1028-S1042 WeakPolarHBondContact OE2-CA 3.26Å; E1028-A1043 VanDerWaalsContact CD-N 3.34Å; E1028-A1043 PolarHBondContact OE1-N 2.86Å; E1028-A1043 PolarHBondContact OE2-N 2.88Å; E1028-L1044 WeakPolarHBondContact OE1-CB 3.45Å; E1028-L1044 PolarHBondContact OE1-N 3.15Å |
| 1029 | R | 94.5 | Very high | 89.8 | Confident | 88 Ų | 88 | 38.8 Ų | 38.8 | 33% | 0.332 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -74.6 | -44 | 175.5 | -74.8 | 179.5 | -68.4 | 136.1 | -7.5 | 111.2 | L981 E984 D1025 L1026 L1027 S1032 H1033 | L981-R1029 HydrophobicContact CD2-CB 4.18Å; E984-R1029 IonicContact OE1-CZ 2.86Å; E984-R1029 IonicContact OE1-NH1 3.24Å; E984-R1029 IonicContact OE1-NH2 2.69Å; E984-R1029 PolarHBondContact OE1-NH2 3.2Å; E984-R1029 IonicContact OE2-CZ 3.22Å; E984-R1029 VanDerWaalsContact OE2-CZ 3.24Å; E984-R1029 IonicContact OE2-NH1 2.7Å; E984-R1029 PolarHBondContact OE2-NH1 3.01Å; E984-R1029 IonicContact OE2-NH2 3.31Å; E984-R1029 PolarHBondContact OE2-NH2 2.47Å; D1025-R1029 PolarHBondContact O-NE 2.8Å; L1026-R1029 WeakPolarHBondContact O-CA 3.45Å; L1026-R1029 WeakPolarHBondContact O-CB 3.46Å; L1026-R1029 PolarHBondContact O-N 3.15Å; L1027-R1029 VanDerWaalsContact C-N 3.3Å; L1027-R1029 PolarHBondContact O-N 3.34Å; R1029-S1032 CarbonylContact O-C 3.55Å; R1029-S1032 PolarHBondContact O-N 3.46Å; R1029-S1032 VanDerWaalsContact O-N 3.09Å; R1029-H1033 PolarHBondContact O-N 3.46Å |
| 1030 | I | 95 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.6 | -50.2 | 173.6 | -68 | 173.2 | 0 | 0 | 0 | 110.3 | L981 L1026 L1027 S1032 H1033 F1336 L1337 F1346 | L981-I1030 HydrophobicContact CB-CG1 4.34Å; L981-I1030 HydrophobicContact CD1-CG1 4.3Å; L981-I1030 HydrophobicContact CD2-CG1 4.23Å; L1026-I1030 HydrophobicContact CD1-CD1 4.03Å; L1026-I1030 HydrophobicContact CD1-CG1 4.19Å; L1026-I1030 HydrophobicContact CD2-CD1 4.46Å; L1026-I1030 HydrophobicContact CG-CD1 3.91Å; L1026-I1030 HydrophobicContact CG-CG1 4.46Å; L1026-I1030 PolarHBondContact O-N 3.42Å; L1027-I1030 PolarHBondContact O-N 3.26Å; I1030-S1032 PolarHBondContact O-N 2.9Å; I1030-H1033 PolarHBondContact O-N 2.74Å; I1030-F1336 HydrophobicContact CG2-CB 4.31Å; I1030-F1336 HydrophobicContact CG2-CD1 3.52Å; I1030-F1336 HydrophobicContact CG2-CE1 4.03Å; I1030-F1336 HydrophobicContact CG2-CG 3.98Å; I1030-L1337 HydrophobicContact CG2-CD2 3.62Å; I1030-L1337 HydrophobicContact CG2-CG 4.16Å; I1030-F1346 HydrophobicContact CD1-CD2 3.8Å; I1030-F1346 HydrophobicContact CD1-CE2 3.54Å; I1030-F1346 HydrophobicContact CD1-CZ 4.35Å |
| 1031 | W | 94.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.7 | -12.8 | 176.6 | -95.9 | -106.8 | 0 | 0 | 0 | 114.5 | L1027 A1043 L1044 H1047 L1317 L1320 L1321 Y1331 L1337 F1346 | L1027-W1031 HydrophobicContact CD2-CZ3 4.05Å; L1027-W1031 WeakPolarHBondContact O-CB 3.23Å; L1027-W1031 PolarHBondContact O-N 3.29Å; W1031-A1043 HydrophobicContact CB-CB 3.98Å; W1031-A1043 VanDerWaalsContact O-CB 3.29Å; W1031-A1043 WeakPolarHBondContact O-CB 3.29Å; W1031-L1044 HydrophobicContact CB-CB 4.22Å; W1031-L1044 HydrophobicContact CD2-CD1 3.74Å; W1031-L1044 HydrophobicContact CE3-CD1 4.33Å; W1031-L1044 HydrophobicContact CG-CB 4.07Å; W1031-L1044 HydrophobicContact CG-CD1 3.99Å; W1031-L1044 HydrophobicContact CZ2-CD1 4.1Å; W1031-H1047 AromaticContact CD1-ND1 3.5Å; W1031-H1047 AromaticContact NE1-CG 3.69Å; W1031-H1047 AromaticContact NE1-ND1 3.07Å; W1031-H1047 PolarHBondContact NE1-ND1 3.22Å; W1031-L1317 HydrophobicContact CH2-CB 4.35Å; W1031-L1317 HydrophobicContact CH2-CD1 4.11Å; W1031-L1317 HydrophobicContact CH2-CD2 3.8Å; W1031-L1317 HydrophobicContact CH2-CG 4.3Å; W1031-L1317 HydrophobicContact CZ2-CD2 3.83Å; W1031-L1320 HydrophobicContact CZ2-CD2 4.03Å; W1031-L1321 HydrophobicContact CH2-CD1 4.12Å; W1031-L1321 HydrophobicContact CZ2-CD1 4.24Å; W1031-L1321 HydrophobicContact CZ2-CD2 3.99Å; W1031-L1321 HydrophobicContact CZ2-CG 4.24Å; W1031-Y1331 VanDerWaalsContact CD1-OH 3.25Å; W1031-Y1331 VanDerWaalsContact O-CE1 3.23Å; W1031-Y1331 WeakPolarHBondContact O-CE1 3.4Å; W1031-Y1331 PolarHBondContact O-OH 3.31Å; W1031-L1337 HydrophobicContact CD2-CD1 3.66Å; W1031-L1337 HydrophobicContact CD2-CD2 4.27Å; W1031-L1337 HydrophobicContact CE3-CD1 4.2Å; W1031-L1337 HydrophobicContact CE3-CD2 4.01Å; W1031-L1337 HydrophobicContact CG-CD1 3.82Å; W1031-L1337 HydrophobicContact CH2-CD2 3.74Å; W1031-L1337 HydrophobicContact CZ2-CD1 4.11Å; W1031-L1337 HydrophobicContact CZ2-CD2 4.02Å; W1031-L1337 HydrophobicContact CZ3-CD2 3.75Å; W1031-F1346 AromaticContact CH2-CE1 3.98Å; W1031-F1346 HydrophobicContact CH2-CE1 3.98Å; W1031-F1346 HydrophobicContact CH2-CZ 4.14Å; W1031-F1346 AromaticContact CZ3-CE1 3.94Å; W1031-F1346 HydrophobicContact CZ3-CE1 3.94Å; W1031-F1346 AromaticContact CZ3-CZ 3.7Å; W1031-F1346 HydrophobicContact CZ3-CZ 3.7Å |
| 1032 | S | 93.5 | Very high | 89.8 | Confident | 45 Ų | 45 | 45.2 Ų | 45.2 | 32% | 0.315 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -94.5 | -16.8 | 172 | -62.9 | 0 | 0 | 0 | 0 | 113.3 | E1028 R1029 I1030 G1034 L1035 K1038 A1043 | E1028-S1032 WeakPolarHBondContact O-CB 3.15Å; E1028-S1032 PolarHBondContact O-N 3.23Å; E1028-S1032 PolarHBondContact O-OG 2.97Å; R1029-S1032 CarbonylContact O-C 3.55Å; R1029-S1032 PolarHBondContact O-N 3.46Å; R1029-S1032 VanDerWaalsContact O-N 3.09Å; I1030-S1032 PolarHBondContact O-N 2.9Å; S1032-G1034 PolarHBondContact O-N 2.8Å; S1032-L1035 PolarHBondContact O-N 2.85Å; S1032-K1038 PolarHBondContact OG-NZ 3.06Å; S1032-A1043 WeakPolarHBondContact OG-CB 3.47Å |
| 1033 | H | 92.5 | Very high | 89.9 | Confident | 20 Ų | 20 | 44.9 Ų | 44.9 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 126.9 | -179.1 | -169.7 | -132.1 | 0 | 0 | 0 | 110.6 | N974 F977 L981 R1029 I1030 L1035 Y1331 Y1334 A1335 F1336 | N974-H1033 PolarHBondContact OD1-NE2 3.21Å; F977-H1033 AromaticContact CD1-CD2 3.62Å; F977-H1033 AromaticContact CD1-NE2 3.66Å; F977-H1033 AromaticContact CE1-CD2 3.81Å; L981-H1033 HydrophobicContact CD1-CB 4.3Å; R1029-H1033 PolarHBondContact O-N 3.46Å; I1030-H1033 PolarHBondContact O-N 2.74Å; H1033-L1035 PolarHBondContact O-N 3Å; H1033-Y1331 WeakPolarHBondContact O-CD1 3.27Å; H1033-Y1334 PolarHBondContact CE1-O 2.75Å; H1033-Y1334 VanDerWaalsContact CE1-O 3.27Å; H1033-A1335 VanDerWaalsContact O-CB 3.26Å; H1033-A1335 WeakPolarHBondContact O-CB 3.22Å; H1033-F1336 HydrophobicContact CB-CB 4.31Å; H1033-F1336 PolarHBondContact ND1-N 2.99Å |
| 1034 | G | 86.1 | Confident | 89.9 | Confident | 14 Ų | 14 | 45 Ų | 45 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 23.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | S1032 N1036 Y1331 T1332 | S1032-G1034 PolarHBondContact O-N 2.8Å; G1034-N1036 PolarHBondContact O-N 3.01Å; G1034-Y1331 WeakPolarHBondContact O-CA 3.23Å; G1034-T1332 WeakPolarHBondContact CA-OG1 3.35Å; G1034-T1332 WeakPolarHBondContact O-CG2 3.36Å; G1034-T1332 PolarHBondContact O-N 2.71Å; G1034-T1332 PolarHBondContact O-OG1 2.79Å |
| 1035 | L | 89.6 | Confident | 89.9 | Confident | 37 Ų | 37 | 45.4 Ų | 45.4 | 19% | 0.194 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -72.5 | 120.6 | 179.1 | -176.1 | 70.5 | 0 | 0 | 0 | 111.4 | S1032 H1033 K1037 K1038 A1043 L1330 Y1331 | S1032-L1035 PolarHBondContact O-N 2.85Å; H1033-L1035 PolarHBondContact O-N 3Å; L1035-K1037 PolarHBondContact O-N 3.11Å; L1035-K1038 HydrophobicContact CD2-CB 3.87Å; L1035-K1038 HydrophobicContact CD2-CD 4.38Å; L1035-K1038 HydrophobicContact CD2-CG 4.03Å; L1035-A1043 HydrophobicContact CD2-CB 3.95Å; L1035-L1330 HydrophobicContact CD1-CB 4.34Å; L1035-Y1331 HydrophobicContact CB-CD1 4.33Å; L1035-Y1331 HydrophobicContact CB-CE1 3.99Å; L1035-Y1331 HydrophobicContact CD1-CD1 4.14Å; L1035-Y1331 HydrophobicContact CD1-CE1 3.55Å; L1035-Y1331 HydrophobicContact CD1-CE2 4.22Å; L1035-Y1331 HydrophobicContact CG-CE1 4.37Å |
| 1036 | N | 84 | Confident | 89.9 | Confident | 87 Ų | 87 | 43.4 Ų | 43.4 | 47% | 0.465 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -60.7 | -38.9 | -174.8 | -71.6 | -29.7 | 0 | 0 | 0 | 113.4 | G1034 Y1329 L1330 Y1331 T1332 | G1034-N1036 PolarHBondContact O-N 3.01Å; N1036-Y1329 PolarHBondContact ND2-O 3.32Å; N1036-L1330 VanDerWaalsContact CB-O 3.31Å; N1036-L1330 WeakPolarHBondContact CB-O 3.42Å; N1036-L1330 PolarHBondContact N-O 2.79Å; N1036-L1330 PolarHBondContact ND2-O 2.9Å; N1036-Y1331 PolarHBondContact ND2-N 2.91Å; N1036-T1332 WeakPolarHBondContact OD1-CG2 3.38Å; N1036-T1332 PolarHBondContact OD1-N 2.97Å |
| 1037 | K | 79.4 | Confident | 89.9 | Confident | 157 Ų | 157 | 43.4 Ų | 43.4 | 68% | 0.683 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -156.4 | 110.9 | -179.2 | -167.9 | 173.3 | -173.8 | 175.9 | 0 | 110.1 | L1035 M1039 | L1035-K1037 PolarHBondContact O-N 3.11Å; K1037-M1039 PolarHBondContact O-N 2.82Å; K1037-M1039 VanDerWaalsContact O-N 3.16Å |
| 1038 | K | 76.2 | Confident | 89.8 | Confident | 103 Ų | 103 | 43.4 Ų | 43.4 | 45% | 0.448 | 22% | 0.221 | S | C | . | . | trans | -69.7 | 113.3 | 179.3 | -168.9 | 152.5 | -173.8 | 160.2 | 0 | 110.8 | E1028 S1032 L1035 K1041 | E1028-K1038 IonicContact OE2-NZ 3.89Å; E1028-K1038 PolarHBondContact OE2-NZ 3.25Å; S1032-K1038 PolarHBondContact OG-NZ 3.06Å; L1035-K1038 HydrophobicContact CD2-CB 3.87Å; L1035-K1038 HydrophobicContact CD2-CD 4.38Å; L1035-K1038 HydrophobicContact CD2-CG 4.03Å; K1038-K1041 WeakPolarHBondContact CE-O 3.3Å; K1038-K1041 PolarHBondContact NZ-O 3.22Å; K1038-K1041 VanDerWaalsContact NZ-O 3.07Å | ||
| 1039 | M | 76.4 | Confident | 89.7 | Confident | 97 Ų | 97 | 44.4 Ų | 44.4 | 48% | 0.478 | 23% | 0.229 | S | C | . | . | trans | -99.1 | 143.4 | 165 | -65.4 | -168.9 | 169.7 | 0 | 0 | 108.6 | K1037 S1046 | K1037-M1039 PolarHBondContact O-N 2.82Å; K1037-M1039 VanDerWaalsContact O-N 3.16Å; M1039-S1046 VanDerWaalsContact C-OG 3.29Å; M1039-S1046 WeakPolarHBondContact O-CB 3.4Å; M1039-S1046 PolarHBondContact O-OG 2.95Å | ||
| 1040 | G | 83.3 | Confident | 89.5 | Confident | 47 Ų | 47 | 42.9 Ų | 42.9 | 49% | 0.485 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 64.3 | -179 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114 | D1296 | G1040-D1296 WeakPolarHBondContact CA-OD2 3.25Š|
| 1041 | K | 88 | Confident | 89.4 | Confident | 149 Ų | 149 | 44.4 Ų | 44.4 | 65% | 0.648 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -84.8 | -33.8 | 172.5 | -65.6 | -175.6 | 178.3 | 179.7 | 0 | 112 | K1038 D1296 I1297 | K1038-K1041 WeakPolarHBondContact CE-O 3.3Å; K1038-K1041 PolarHBondContact NZ-O 3.22Å; K1038-K1041 VanDerWaalsContact NZ-O 3.07Å; K1041-D1296 PolarHBondContact N-OD2 2.85Å; K1041-I1297 HydrophobicContact CB-CD1 3.94Å; K1041-I1297 HydrophobicContact CB-CG1 4.09Å |
| 1042 | S | 93.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -93.4 | 133 | 172.8 | 166 | 0 | 0 | 0 | 0 | 110.1 | E1028 L1044 W1045 S1046 D1296 A1300 | E1028-S1042 VanDerWaalsContact OE1-CA 3.3Å; E1028-S1042 WeakPolarHBondContact OE1-CA 3.27Å; E1028-S1042 VanDerWaalsContact OE1-CB 3.27Å; E1028-S1042 WeakPolarHBondContact OE1-CB 3.42Å; E1028-S1042 PolarHBondContact OE1-OG 3.23Å; E1028-S1042 WeakPolarHBondContact OE2-CA 3.26Å; S1042-L1044 PolarHBondContact OG-N 2.92Å; S1042-W1045 VanDerWaalsContact OG-CB 3.28Å; S1042-W1045 WeakPolarHBondContact OG-CB 3.37Å; S1042-W1045 PolarHBondContact OG-N 2.92Å; S1042-S1046 PolarHBondContact O-OG 2.97Å; S1042-S1046 VanDerWaalsContact O-OG 3.1Å; S1042-D1296 VanDerWaalsContact CB-C 3.5Å; S1042-D1296 WeakPolarHBondContact CB-O 3.45Å; S1042-A1300 WeakPolarHBondContact OG-CB 3.3Å | ||
| 1043 | A | 92.6 | Very high | 89 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -81.1 | -35.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1028 W1031 S1032 L1035 H1047 | E1028-A1043 VanDerWaalsContact CD-N 3.34Å; E1028-A1043 PolarHBondContact OE1-N 2.86Å; E1028-A1043 PolarHBondContact OE2-N 2.88Å; W1031-A1043 HydrophobicContact CB-CB 3.98Å; W1031-A1043 VanDerWaalsContact O-CB 3.29Å; W1031-A1043 WeakPolarHBondContact O-CB 3.29Å; S1032-A1043 WeakPolarHBondContact OG-CB 3.47Å; L1035-A1043 HydrophobicContact CD2-CB 3.95Å; A1043-H1047 PolarHBondContact O-N 3.13Å; A1043-H1047 VanDerWaalsContact O-N 3.17Å |
| 1044 | L | 94.9 | Very high | 88.8 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -49.2 | 177.1 | 175.7 | 58.7 | 0 | 0 | 0 | 111.6 | L1027 E1028 W1031 S1042 S1046 H1047 L1048 A1300 V1304 L1317 L1320 | L1027-L1044 HydrophobicContact CB-CD2 4.25Å; E1028-L1044 WeakPolarHBondContact OE1-CB 3.45Å; E1028-L1044 PolarHBondContact OE1-N 3.15Å; W1031-L1044 HydrophobicContact CB-CB 4.22Å; W1031-L1044 HydrophobicContact CD2-CD1 3.74Å; W1031-L1044 HydrophobicContact CE3-CD1 4.33Å; W1031-L1044 HydrophobicContact CG-CB 4.07Å; W1031-L1044 HydrophobicContact CG-CD1 3.99Å; W1031-L1044 HydrophobicContact CZ2-CD1 4.1Å; S1042-L1044 PolarHBondContact OG-N 2.92Å; L1044-S1046 PolarHBondContact O-N 3.24Å; L1044-H1047 PolarHBondContact O-N 3.48Å; L1044-L1048 HydrophobicContact CD1-CD1 4.03Å; L1044-L1048 HydrophobicContact CD1-CG 4.37Å; L1044-L1048 HydrophobicContact CG-CD1 3.95Å; L1044-L1048 WeakPolarHBondContact O-CG 3.16Å; L1044-L1048 PolarHBondContact O-N 3.24Å; L1044-A1300 HydrophobicContact CB-CB 4.41Å; L1044-A1300 HydrophobicContact CD2-CB 4.3Å; L1044-A1300 HydrophobicContact CG-CB 4.47Å; L1044-V1304 HydrophobicContact CD2-CG2 3.76Å; L1044-L1317 HydrophobicContact CD1-CD2 4.06Å; L1044-L1320 HydrophobicContact CD1-CD2 4.47Å |
| 1045 | W | 95.1 | Very high | 88.8 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 6% | 0.057 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -41.1 | -180 | -166.3 | -120 | 0 | 0 | 0 | 112.4 | S1042 H1047 L1048 V1049 I1284 I1287 Q1288 D1296 F1299 A1300 F1303 | S1042-W1045 VanDerWaalsContact OG-CB 3.28Å; S1042-W1045 WeakPolarHBondContact OG-CB 3.37Å; S1042-W1045 PolarHBondContact OG-N 2.92Å; W1045-H1047 VanDerWaalsContact C-N 3.3Å; W1045-H1047 PolarHBondContact O-N 3.27Å; W1045-L1048 HydrophobicContact CE3-CB 4.31Å; W1045-L1048 HydrophobicContact CE3-CD1 3.83Å; W1045-L1048 HydrophobicContact CZ3-CD1 4.21Å; W1045-L1048 PolarHBondContact O-N 3.29Å; W1045-V1049 HydrophobicContact CD2-CG2 4.06Å; W1045-V1049 HydrophobicContact CG-CG2 4.25Å; W1045-V1049 HydrophobicContact CZ2-CG2 4.04Å; W1045-V1049 WeakPolarHBondContact O-CB 3.27Å; W1045-V1049 VanDerWaalsContact O-CG2 3.32Å; W1045-V1049 WeakPolarHBondContact O-CG2 3.3Å; W1045-V1049 PolarHBondContact O-N 3.09Å; W1045-I1284 HydrophobicContact CH2-CG2 4.01Å; W1045-I1287 HydrophobicContact CH2-CB 4.32Å; W1045-I1287 HydrophobicContact CH2-CG2 3.8Å; W1045-I1287 HydrophobicContact CZ2-CG2 4.46Å; W1045-I1287 HydrophobicContact CZ3-CG2 4.29Å; W1045-Q1288 HydrophobicContact CH2-CG 4.21Å; W1045-Q1288 HydrophobicContact CZ2-CG 3.7Å; W1045-D1296 HydrophobicContact CB-CB 4.35Å; W1045-D1296 HydrophobicContact CG-CB 4.47Å; W1045-F1299 HydrophobicContact CD2-CB 3.52Å; W1045-F1299 AromaticContact CE2-CG 3.89Å; W1045-F1299 HydrophobicContact CE3-CB 3.93Å; W1045-F1299 HydrophobicContact CG-CB 4.02Å; W1045-F1299 HydrophobicContact CH2-CB 4.01Å; W1045-F1299 HydrophobicContact CZ2-CB 3.58Å; W1045-F1299 HydrophobicContact CZ2-CD1 4.37Å; W1045-F1299 AromaticContact CZ2-CG 3.96Å; W1045-F1299 HydrophobicContact CZ2-CG 3.96Å; W1045-F1299 HydrophobicContact CZ3-CB 4.17Å; W1045-F1299 AromaticContact NE1-CD2 3.73Å; W1045-F1299 AromaticContact NE1-CG 3.93Å; W1045-A1300 HydrophobicContact CB-CB 4.18Å; W1045-F1303 HydrophobicContact CZ3-CB 4.07Å; W1045-F1303 HydrophobicContact CZ3-CG 4.47Å |
| 1046 | S | 93.1 | Very high | 88.5 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.8 | -33.9 | 176.9 | -67.3 | 0 | 0 | 0 | 0 | 112.5 | M1039 S1042 L1044 L1050 | M1039-S1046 VanDerWaalsContact C-OG 3.29Å; M1039-S1046 WeakPolarHBondContact O-CB 3.4Å; M1039-S1046 PolarHBondContact O-OG 2.95Å; S1042-S1046 PolarHBondContact O-OG 2.97Å; S1042-S1046 VanDerWaalsContact O-OG 3.1Å; L1044-S1046 PolarHBondContact O-N 3.24Å; S1046-L1050 VanDerWaalsContact O-CB 3.27Å; S1046-L1050 WeakPolarHBondContact O-CB 3.19Å; S1046-L1050 WeakPolarHBondContact O-CD1 3.47Å; S1046-L1050 WeakPolarHBondContact O-CG 3.23Å; S1046-L1050 PolarHBondContact O-N 2.86Å |
| 1047 | H | 94 | Very high | 88.5 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.4 | -47.9 | 172.3 | -162.8 | 169.8 | 0 | 0 | 0 | 110.9 | W1031 A1043 L1044 W1045 V1049 L1050 Y1051 L1330 Y1331 | W1031-H1047 AromaticContact CD1-ND1 3.5Å; W1031-H1047 AromaticContact NE1-CG 3.69Å; W1031-H1047 AromaticContact NE1-ND1 3.07Å; W1031-H1047 PolarHBondContact NE1-ND1 3.22Å; A1043-H1047 PolarHBondContact O-N 3.13Å; A1043-H1047 VanDerWaalsContact O-N 3.17Å; L1044-H1047 PolarHBondContact O-N 3.48Å; W1045-H1047 VanDerWaalsContact C-N 3.3Å; W1045-H1047 PolarHBondContact O-N 3.27Å; H1047-V1049 PolarHBondContact O-N 2.85Å; H1047-L1050 PolarHBondContact O-N 2.73Å; H1047-Y1051 WeakPolarHBondContact O-CB 3.06Å; H1047-Y1051 PolarHBondContact O-N 2.98Å; H1047-L1330 HydrophobicContact CB-CD1 4.31Å; H1047-Y1331 AromaticContact CE1-CE2 3.8Å; H1047-Y1331 AromaticContact ND1-CE2 3.62Å |
| 1048 | L | 94.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.9 | -48 | 176.4 | -73.3 | 161 | 0 | 0 | 0 | 112.6 | L1044 W1045 Y1051 A1052 L1280 I1284 F1303 L1320 | L1044-L1048 HydrophobicContact CD1-CD1 4.03Å; L1044-L1048 HydrophobicContact CD1-CG 4.37Å; L1044-L1048 HydrophobicContact CG-CD1 3.95Å; L1044-L1048 WeakPolarHBondContact O-CG 3.16Å; L1044-L1048 PolarHBondContact O-N 3.24Å; W1045-L1048 HydrophobicContact CE3-CB 4.31Å; W1045-L1048 HydrophobicContact CE3-CD1 3.83Å; W1045-L1048 HydrophobicContact CZ3-CD1 4.21Å; W1045-L1048 PolarHBondContact O-N 3.29Å; L1048-Y1051 PolarHBondContact O-N 3.01Å; L1048-A1052 PolarHBondContact O-N 2.8Å; L1048-L1280 HydrophobicContact CD2-CD1 3.91Å; L1048-I1284 HydrophobicContact CB-CD1 3.96Å; L1048-I1284 HydrophobicContact CB-CG1 4.33Å; L1048-I1284 HydrophobicContact CD2-CD1 3.83Å; L1048-I1284 HydrophobicContact CD2-CG1 4.23Å; L1048-F1303 HydrophobicContact CD1-CD1 3.57Å; L1048-F1303 HydrophobicContact CD1-CD2 4.49Å; L1048-F1303 HydrophobicContact CD1-CE1 3.86Å; L1048-F1303 HydrophobicContact CD1-CG 3.93Å; L1048-F1303 HydrophobicContact CD1-CZ 4.44Å; L1048-F1303 HydrophobicContact CD2-CD1 4.37Å; L1048-F1303 HydrophobicContact CD2-CE1 3.83Å; L1048-F1303 HydrophobicContact CD2-CE2 4.29Å; L1048-F1303 HydrophobicContact CD2-CZ 3.79Å; L1048-L1320 HydrophobicContact CD2-CD1 4.35Å; L1048-L1320 HydrophobicContact CD2-CD2 3.8Å; L1048-L1320 HydrophobicContact CG-CD2 4.02Å |
| 1049 | V | 92.6 | Very high | 88.4 | Confident | 48 Ų | 48 | 46.9 Ų | 46.9 | 29% | 0.291 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.2 | -37.8 | -179.8 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | W1045 H1047 K1053 | W1045-V1049 HydrophobicContact CD2-CG2 4.06Å; W1045-V1049 HydrophobicContact CG-CG2 4.25Å; W1045-V1049 HydrophobicContact CZ2-CG2 4.04Å; W1045-V1049 WeakPolarHBondContact O-CB 3.27Å; W1045-V1049 VanDerWaalsContact O-CG2 3.32Å; W1045-V1049 WeakPolarHBondContact O-CG2 3.3Å; W1045-V1049 PolarHBondContact O-N 3.09Å; H1047-V1049 PolarHBondContact O-N 2.85Å; V1049-K1053 VanDerWaalsContact O-CB 3.3Å; V1049-K1053 WeakPolarHBondContact O-CB 3.31Å; V1049-K1053 PolarHBondContact O-N 2.96Å |
| 1050 | L | 91.1 | Very high | 88.2 | Confident | 56 Ų | 56 | 47.2 Ų | 47.2 | 29% | 0.293 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.4 | -36.9 | 174.1 | -74.8 | 172.2 | 0 | 0 | 0 | 112.1 | S1046 H1047 R1054 L1326 L1330 | S1046-L1050 VanDerWaalsContact O-CB 3.27Å; S1046-L1050 WeakPolarHBondContact O-CB 3.19Å; S1046-L1050 WeakPolarHBondContact O-CD1 3.47Å; S1046-L1050 WeakPolarHBondContact O-CG 3.23Å; S1046-L1050 PolarHBondContact O-N 2.86Å; H1047-L1050 PolarHBondContact O-N 2.73Å; L1050-R1054 WeakPolarHBondContact O-CB 3.47Å; L1050-R1054 PolarHBondContact O-N 3.28Å; L1050-L1326 HydrophobicContact CB-CD1 4.27Å; L1050-L1330 HydrophobicContact CD1-CD1 4.2Å; L1050-L1330 HydrophobicContact CD1-CD2 3.84Å |
| 1051 | Y | 93 | Very high | 87.2 | Confident | 31 Ų | 31 | 48.2 Ų | 48.2 | 12% | 0.122 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -53.4 | 173.2 | 178.2 | -85.8 | 0 | 0 | 0 | 111.3 | H1047 L1048 K1053 R1054 V1055 L1280 I1281 R1319 L1320 D1323 L1326 | H1047-Y1051 WeakPolarHBondContact O-CB 3.06Å; H1047-Y1051 PolarHBondContact O-N 2.98Å; L1048-Y1051 PolarHBondContact O-N 3.01Å; Y1051-K1053 PolarHBondContact O-N 3.32Å; Y1051-R1054 WeakPolarHBondContact O-CB 3.47Å; Y1051-R1054 PolarHBondContact O-N 2.84Å; Y1051-V1055 HydrophobicContact CD1-CG2 4.2Å; Y1051-V1055 HydrophobicContact CE1-CG2 3.83Å; Y1051-V1055 HydrophobicContact CE2-CG2 4.44Å; Y1051-V1055 PolarHBondContact O-N 3.22Å; Y1051-L1280 HydrophobicContact CD1-CD2 3.96Å; Y1051-L1280 HydrophobicContact CE1-CD2 3.6Å; Y1051-L1280 HydrophobicContact CE1-CG 4.32Å; Y1051-I1281 HydrophobicContact CE1-CG1 4.49Å; Y1051-R1319 WeakPolarHBondContact CE2-O 3.27Å; Y1051-R1319 PolarHBondContact OH-O 3.12Å; Y1051-L1320 VanDerWaalsContact CB-CD1 3.42Å; Y1051-L1320 HydrophobicContact CD1-CD1 4.36Å; Y1051-L1320 HydrophobicContact CD2-CD1 3.83Å; Y1051-L1320 HydrophobicContact CG-CD1 3.63Å; Y1051-D1323 HydrophobicContact CD2-CB 4.26Å; Y1051-D1323 HydrophobicContact CE2-CB 4.19Å; Y1051-L1326 HydrophobicContact CD2-CD2 4.34Å |
| 1052 | A | 90.4 | Very high | 85.6 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.1 | -50.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1048 R1054 V1055 E1056 I1284 | L1048-A1052 PolarHBondContact O-N 2.8Å; A1052-R1054 VanDerWaalsContact C-N 3.25Å; A1052-R1054 PolarHBondContact O-N 2.94Å; A1052-V1055 PolarHBondContact O-N 3.02Å; A1052-E1056 WeakPolarHBondContact O-CB 3.49Å; A1052-E1056 PolarHBondContact O-N 3.49Å; A1052-I1284 HydrophobicContact CB-CD1 4.15Å; A1052-I1284 HydrophobicContact CB-CG2 4.22Å |
| 1053 | K | 89.5 | Confident | 83.5 | Confident | 130 Ų | 130 | 50.8 Ų | 50.8 | 57% | 0.565 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61 | -32.8 | 177.3 | -175.5 | 169.3 | -175.6 | 171.1 | 0 | 112.9 | V1049 Y1051 L1057 | V1049-K1053 VanDerWaalsContact O-CB 3.3Å; V1049-K1053 WeakPolarHBondContact O-CB 3.31Å; V1049-K1053 PolarHBondContact O-N 2.96Å; Y1051-K1053 PolarHBondContact O-N 3.32Å; K1053-L1057 HydrophobicContact CG-CD1 4.25Å; K1053-L1057 WeakPolarHBondContact O-CB 3.28Å; K1053-L1057 WeakPolarHBondContact O-CD1 3.44Å; K1053-L1057 VanDerWaalsContact O-CG 3.23Å; K1053-L1057 WeakPolarHBondContact O-CG 3.46Å; K1053-L1057 PolarHBondContact O-N 3.24Å |
| 1054 | R | 87.8 | Confident | 81 | Confident | 76 Ų | 76 | 58.6 Ų | 58.6 | 29% | 0.287 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -76.5 | -38 | 179.8 | 174.7 | 167.9 | 158.3 | 70.7 | 10.8 | 112.5 | L1050 Y1051 A1052 M1058 D1323 | L1050-R1054 WeakPolarHBondContact O-CB 3.47Å; L1050-R1054 PolarHBondContact O-N 3.28Å; Y1051-R1054 WeakPolarHBondContact O-CB 3.47Å; Y1051-R1054 PolarHBondContact O-N 2.84Å; A1052-R1054 VanDerWaalsContact C-N 3.25Å; A1052-R1054 PolarHBondContact O-N 2.94Å; R1054-M1058 HydrophobicContact CG-CE 4.31Å; R1054-M1058 WeakPolarHBondContact O-CG 3.42Å; R1054-M1058 PolarHBondContact O-N 2.86Å; R1054-M1058 VanDerWaalsContact O-N 3.14Å; R1054-D1323 IonicContact CZ-OD1 3.34Å; R1054-D1323 IonicContact CZ-OD2 3.83Å; R1054-D1323 IonicContact NE-OD1 2.68Å; R1054-D1323 IonicContact NE-OD2 3.15Å; R1054-D1323 PolarHBondContact NE-OD2 3.26Å; R1054-D1323 IonicContact NH2-OD1 3.11Å; R1054-D1323 PolarHBondContact NH2-OD1 3.2Å; R1054-D1323 VanDerWaalsContact NH2-OD1 3.11Å; R1054-D1323 IonicContact NH2-OD2 2.9Å; R1054-D1323 PolarHBondContact NH2-OD2 3.34Å; R1054-D1323 VanDerWaalsContact NH2-OD2 3.11Å |
| 1055 | V | 85.7 | Confident | 78.3 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 7% | 0.073 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.7 | -44.8 | 170.3 | 179.4 | 0 | 0 | 0 | 0 | 110 | Y1051 A1052 L1057 M1058 K1059 I1281 | Y1051-V1055 HydrophobicContact CD1-CG2 4.2Å; Y1051-V1055 HydrophobicContact CE1-CG2 3.83Å; Y1051-V1055 HydrophobicContact CE2-CG2 4.44Å; Y1051-V1055 PolarHBondContact O-N 3.22Å; A1052-V1055 PolarHBondContact O-N 3.02Å; V1055-L1057 PolarHBondContact O-N 3.24Å; V1055-M1058 HydrophobicContact CG2-CE 4.39Å; V1055-M1058 WeakPolarHBondContact O-CA 3.47Å; V1055-M1058 WeakPolarHBondContact O-CB 3.43Å; V1055-M1058 PolarHBondContact O-N 3.11Å; V1055-K1059 WeakPolarHBondContact O-CG 3.24Å; V1055-K1059 PolarHBondContact O-N 3.19Å; V1055-I1281 HydrophobicContact CB-CD1 3.97Å; V1055-I1281 HydrophobicContact CG1-CD1 3.65Å; V1055-I1281 HydrophobicContact CG2-CD1 4.4Å |
| 1056 | E | 84.2 | Confident | 75.4 | Confident | 89 Ų | 89 | 67.2 Ų | 67.2 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 178.1 | -169.5 | 173.5 | -151.7 | 0 | 0 | 112.6 | A1052 M1058 K1059 Q1060 | A1052-E1056 WeakPolarHBondContact O-CB 3.49Å; A1052-E1056 PolarHBondContact O-N 3.49Å; E1056-M1058 PolarHBondContact O-N 2.88Å; E1056-K1059 PolarHBondContact O-N 2.87Å; E1056-Q1060 WeakPolarHBondContact O-CG 3.25Å; E1056-Q1060 PolarHBondContact O-N 2.7Å |
| 1057 | L | 83.4 | Confident | 72.8 | Confident | 90 Ų | 90 | 72.9 Ų | 72.9 | 47% | 0.471 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 170.5 | -79.1 | 167.3 | 0 | 0 | 0 | 112.6 | K1053 V1055 Q1060 T1061 | K1053-L1057 HydrophobicContact CG-CD1 4.25Å; K1053-L1057 WeakPolarHBondContact O-CB 3.28Å; K1053-L1057 WeakPolarHBondContact O-CD1 3.44Å; K1053-L1057 VanDerWaalsContact O-CG 3.23Å; K1053-L1057 WeakPolarHBondContact O-CG 3.46Å; K1053-L1057 PolarHBondContact O-N 3.24Å; V1055-L1057 PolarHBondContact O-N 3.24Å; L1057-Q1060 PolarHBondContact O-N 3.28Å; L1057-Q1060 VanDerWaalsContact O-N 3.16Å; L1057-T1061 PolarHBondContact O-N 3.49Å; L1057-T1061 PolarHBondContact O-OG1 3.23Å |
| 1058 | M | 77.6 | Confident | 69.6 | Low | 46 Ų | 46 | 79.4 Ų | 79.4 | 23% | 0.227 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.1 | -37.8 | 175 | -72.3 | -173.9 | -66.2 | 0 | 0 | 112.1 | R1054 V1055 E1056 Q1060 T1061 N1062 L1075 | R1054-M1058 HydrophobicContact CG-CE 4.31Å; R1054-M1058 WeakPolarHBondContact O-CG 3.42Å; R1054-M1058 PolarHBondContact O-N 2.86Å; R1054-M1058 VanDerWaalsContact O-N 3.14Å; V1055-M1058 HydrophobicContact CG2-CE 4.39Å; V1055-M1058 WeakPolarHBondContact O-CA 3.47Å; V1055-M1058 WeakPolarHBondContact O-CB 3.43Å; V1055-M1058 PolarHBondContact O-N 3.11Å; E1056-M1058 PolarHBondContact O-N 2.88Å; M1058-Q1060 PolarHBondContact O-N 3.02Å; M1058-T1061 PolarHBondContact O-OG1 2.79Å; M1058-N1062 WeakPolarHBondContact O-CB 3.47Å; M1058-N1062 PolarHBondContact O-N 2.83Å; M1058-N1062 VanDerWaalsContact O-N 3.08Å; M1058-N1062 PolarHBondContact O-OD1 3.2Å; M1058-L1075 HydrophobicContact CE-CD2 4.22Å; M1058-L1075 HydrophobicContact SD-CD1 3.94Å |
| 1059 | K | 76.5 | Confident | 66.4 | Low | 70 Ų | 70 | 86.2 Ų | 86.2 | 30% | 0.304 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.8 | -30.3 | 171.2 | -59.2 | -169.6 | -157.2 | -165.6 | 0 | 112.4 | V1055 E1056 K1063 E1076 | V1055-K1059 WeakPolarHBondContact O-CG 3.24Å; V1055-K1059 PolarHBondContact O-N 3.19Å; E1056-K1059 PolarHBondContact O-N 2.87Å; K1059-K1063 WeakPolarHBondContact O-CG 3.35Å; K1059-K1063 PolarHBondContact O-N 3.15Å; K1059-E1076 WeakPolarHBondContact CE-OE1 3.28Å; K1059-E1076 IonicContact NZ-OE1 3.81Å; K1059-E1076 PolarHBondContact NZ-OE1 2.8Å |
| 1060 | Q | 70.5 | Confident | 63.3 | Low | 103 Ų | 103 | 90.4 Ų | 90.4 | 48% | 0.481 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -76.8 | -48.5 | 177.2 | -71.3 | 172.6 | 10.2 | 0 | 0 | 112.1 | E1056 L1057 M1058 N1062 K1063 E1064 | E1056-Q1060 WeakPolarHBondContact O-CG 3.25Å; E1056-Q1060 PolarHBondContact O-N 2.7Å; L1057-Q1060 PolarHBondContact O-N 3.28Å; L1057-Q1060 VanDerWaalsContact O-N 3.16Å; M1058-Q1060 PolarHBondContact O-N 3.02Å; Q1060-N1062 VanDerWaalsContact C-N 3.26Å; Q1060-N1062 PolarHBondContact O-N 3.25Å; Q1060-K1063 WeakPolarHBondContact O-CA 3.32Å; Q1060-K1063 WeakPolarHBondContact O-CB 3.49Å; Q1060-K1063 PolarHBondContact O-N 3.11Å; Q1060-E1064 PolarHBondContact O-N 2.91Å |
| 1061 | T | 62.4 | Low | 60.3 | Low | 69 Ų | 69 | 96.5 Ų | 96.5 | 42% | 0.423 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -35.4 | 176.4 | 47.6 | 0 | 0 | 0 | 0 | 112.5 | L1057 M1058 K1063 E1064 L1065 | L1057-T1061 PolarHBondContact O-N 3.49Å; L1057-T1061 PolarHBondContact O-OG1 3.23Å; M1058-T1061 PolarHBondContact O-OG1 2.79Å; T1061-K1063 PolarHBondContact O-N 3.19Å; T1061-E1064 PolarHBondContact O-N 3.25Å; T1061-L1065 WeakPolarHBondContact O-CB 3.43Å; T1061-L1065 WeakPolarHBondContact O-CG 3.36Å; T1061-L1065 PolarHBondContact O-N 3Å |
| 1062 | N | 56 | Low | 57.1 | Low | 36 Ų | 36 | 101.1 Ų | 101.1 | 19% | 0.193 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -72.7 | -12.5 | 176.2 | -65.7 | 10.2 | 0 | 0 | 0 | 113.2 | M1058 Q1060 | M1058-N1062 WeakPolarHBondContact O-CB 3.47Å; M1058-N1062 PolarHBondContact O-N 2.83Å; M1058-N1062 VanDerWaalsContact O-N 3.08Å; M1058-N1062 PolarHBondContact O-OD1 3.2Å; Q1060-N1062 VanDerWaalsContact C-N 3.26Å; Q1060-N1062 PolarHBondContact O-N 3.25Å |
| 1063 | K | 48.9 | Very low | 54.1 | Low | 167 Ų | 167 | 108 Ų | 108 | 73% | 0.726 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -92 | -35.7 | 171.2 | -79.2 | -178.8 | 177.1 | -178.9 | 0 | 112.9 | K1059 Q1060 T1061 L1065 A1066 | K1059-K1063 WeakPolarHBondContact O-CG 3.35Å; K1059-K1063 PolarHBondContact O-N 3.15Å; Q1060-K1063 WeakPolarHBondContact O-CA 3.32Å; Q1060-K1063 WeakPolarHBondContact O-CB 3.49Å; Q1060-K1063 PolarHBondContact O-N 3.11Å; T1061-K1063 PolarHBondContact O-N 3.19Å; K1063-L1065 VanDerWaalsContact C-N 3.34Å; K1063-A1066 WeakPolarHBondContact O-CB 3.4Å; K1063-A1066 PolarHBondContact O-N 2.9Å |
| 1064 | E | 40.1 | Very low | 51.3 | Low | 165 Ų | 165 | 108.3 Ų | 108.3 | 77% | 0.771 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -71.7 | -29.4 | 174.3 | -68.4 | -170.5 | 136.7 | 0 | 0 | 112.4 | Q1060 T1061 A1066 | Q1060-E1064 PolarHBondContact O-N 2.91Å; T1061-E1064 PolarHBondContact O-N 3.25Å; E1064-A1066 VanDerWaalsContact C-N 3.26Å; E1064-A1066 PolarHBondContact O-N 2.94Å |
| 1065 | L | 38.9 | Very low | 48.5 | Very low | 121 Ų | 121 | 109.3 Ų | 109.3 | 63% | 0.634 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -1.7 | 172 | -70.6 | 168.5 | 0 | 0 | 0 | 114.1 | T1061 K1063 I1067 | T1061-L1065 WeakPolarHBondContact O-CB 3.43Å; T1061-L1065 WeakPolarHBondContact O-CG 3.36Å; T1061-L1065 PolarHBondContact O-N 3Å; K1063-L1065 VanDerWaalsContact C-N 3.34Å; L1065-I1067 PolarHBondContact O-N 3.48Å |
| 1066 | A | 33.4 | Very low | 45.7 | Very low | 77 Ų | 77 | 115.4 Ų | 115.4 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | trans | -77.5 | 15.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K1063 E1064 | K1063-A1066 WeakPolarHBondContact O-CB 3.4Å; K1063-A1066 PolarHBondContact O-N 2.9Å; E1064-A1066 VanDerWaalsContact C-N 3.26Å; E1064-A1066 PolarHBondContact O-N 2.94Å | ||
| 1067 | I | 38 | Very low | 43 | Very low | 140 Ų | 140 | 115.2 Ų | 115.2 | 72% | 0.718 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -116.8 | 105.7 | 168.6 | -56.9 | 179.7 | 0 | 0 | 0 | 107.4 | L1065 | L1065-I1067 PolarHBondContact O-N 3.48Š|
| 1068 | N | 27 | Very low | 40.3 | Very low | 139 Ų | 139 | 114.2 Ų | 114.2 | 74% | 0.743 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 85.1 | 131.2 | -167.7 | -46.9 | -59.4 | 0 | 0 | 0 | 114.8 | ||
| 1069 | D | 28.4 | Very low | 37.9 | Very low | 143 Ų | 143 | 115.1 Ų | 115.1 | 77% | 0.765 | 62% | 0.62 | S | S | * | * | trans | 61.8 | 109.3 | 176.9 | -63.3 | -5 | 0 | 0 | 0 | 118.3 | E1071 | D1069-E1071 PolarHBondContact O-N 3.2Å; D1069-E1071 VanDerWaalsContact O-N 3.13Å | ||
| 1070 | S | 27.6 | Very low | 35.5 | Very low | 135 Ų | 135 | 117.7 Ų | 117.7 | 94% | 0.944 | 64% | 0.644 | S | S | * | * | trans | -84.9 | 68.6 | -177.3 | -60.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1071 | E | 28.2 | Very low | 33.5 | Very low | 184 Ų | 184 | 119.3 Ų | 119.3 | 86% | 0.86 | 66% | 0.662 | S | S | * | * | trans | -155.6 | 69 | 175.7 | -148.6 | 171.5 | -138.7 | 0 | 0 | 114.6 | D1069 | D1069-E1071 PolarHBondContact O-N 3.2Å; D1069-E1071 VanDerWaalsContact O-N 3.13Å | ||
| 1072 | L | 25.5 | Very low | 31.7 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 67% | 0.67 | 67% | 0.666 | S | S | * | * | trans | -170.6 | 74.5 | 163.4 | -110.9 | 164.3 | 0 | 0 | 0 | 115 | ||||
| 1073 | L | 26.3 | Very low | 30.3 | Very low | 149 Ų | 149 | 121.5 Ų | 121.5 | 78% | 0.78 | 68% | 0.682 | S | S | * | * | trans | -134.1 | 75.8 | 166.6 | -74.5 | 178.8 | 0 | 0 | 0 | 111.6 | ||||
| 1074 | N | 30.8 | Very low | 29.1 | Very low | 136 Ų | 136 | 118 Ų | 118 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | trans | -149.2 | 80.4 | 169.5 | -99.7 | -35.7 | 0 | 0 | 0 | 109.7 | ||||
| 1075 | L | 28.4 | Very low | 28.3 | Very low | 97 Ų | 97 | 116.1 Ų | 116.1 | 51% | 0.508 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -151.3 | 15.9 | 175.7 | -117.1 | 166.8 | 0 | 0 | 0 | 113.5 | M1058 | M1058-L1075 HydrophobicContact CE-CD2 4.22Å; M1058-L1075 HydrophobicContact SD-CD1 3.94Å |
| 1076 | E | 27.8 | Very low | 27.7 | Very low | 140 Ų | 140 | 115.5 Ų | 115.5 | 65% | 0.654 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -122.3 | -8.6 | 175.6 | -65.1 | -171 | 86.7 | 0 | 0 | 113 | K1059 | K1059-E1076 WeakPolarHBondContact CE-OE1 3.28Å; K1059-E1076 IonicContact NZ-OE1 3.81Å; K1059-E1076 PolarHBondContact NZ-OE1 2.8Å |
| 1077 | S | 27.6 | Very low | 27.2 | Very low | 84 Ų | 84 | 117.9 Ų | 117.9 | 59% | 0.587 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -79.2 | 141 | 178.2 | 32.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1078 | S | 26.6 | Very low | 26.5 | Very low | 69 Ų | 69 | 116.6 Ų | 116.6 | 48% | 0.483 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 155.8 | 171.2 | -61.2 | 0 | 0 | 0 | 0 | 112 | R1319 | S1078-R1319 PolarHBondContact OG-NH1 3.44Š|
| 1079 | P | 26.5 | Very low | 26.7 | Very low | 65 Ų | 65 | 115 Ų | 115 | 42% | 0.422 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -57 | 133.4 | 161.2 | 25.6 | -33.6 | 0 | 0 | 0 | 109.8 | M1322 | P1079-M1322 HydrophobicContact CB-CE 3.91Å; P1079-M1322 HydrophobicContact CG-CE 3.87Å; P1079-M1322 HydrophobicContact CG-SD 4.01Å |
| 1080 | P | 27.1 | Very low | 26.4 | Very low | 124 Ų | 124 | 119.6 Ų | 119.6 | 81% | 0.805 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 123.3 | 173.6 | 31.7 | -31.5 | 0 | 0 | 0 | 110.2 | ||
| 1081 | T | 27.2 | Very low | 26.6 | Very low | 138 Ų | 138 | 120.5 Ų | 120.5 | 85% | 0.847 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -90 | 127 | 144.5 | 48.5 | 0 | 0 | 0 | 0 | 106.6 | ||
| 1082 | S | 25.6 | Very low | 26.4 | Very low | 73 Ų | 73 | 116.8 Ų | 116.8 | 51% | 0.51 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 159.1 | 169 | 34.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1083 | S | 25.7 | Very low | 26.4 | Very low | 77 Ų | 77 | 115.2 Ų | 115.2 | 54% | 0.538 | 69% | 0.687 | S | S | . | * | cis | -130 | -175.9 | 4.3 | 72.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1084 | S | 25.1 | Very low | 26.2 | Very low | 94 Ų | 94 | 112.2 Ų | 112.2 | 66% | 0.657 | 67% | 0.671 | S | S | * | * | cis | -151.5 | 174.7 | 3.9 | 65.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1085 | C | 22.9 | Very low | 26 | Very low | 125 Ų | 125 | 115 Ų | 115 | 85% | 0.845 | 67% | 0.672 | S | S | * | * | trans | 34.5 | 97.1 | 145.1 | -65.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1086 | S | 25.1 | Very low | 25.9 | Very low | 109 Ų | 109 | 114.4 Ų | 114.4 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | trans | -133.6 | 115.1 | 134.4 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | S1088 | S1086-S1088 PolarHBondContact O-N 3.03Š| ||
| 1087 | S | 23.2 | Very low | 25.8 | Very low | 127 Ų | 127 | 113.9 Ų | 113.9 | 89% | 0.888 | 68% | 0.682 | S | S | * | * | trans | -69.2 | 124 | 173.4 | 36.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 1088 | S | 24.4 | Very low | 25.8 | Very low | 112 Ų | 112 | 116.8 Ų | 116.8 | 78% | 0.783 | 69% | 0.691 | S | S | * | * | trans | -117.8 | 131.8 | 174.1 | -82.3 | 0 | 0 | 0 | 0 | 111 | S1086 | S1086-S1088 PolarHBondContact O-N 3.03Š| ||
| 1089 | P | 29.8 | Very low | 25.9 | Very low | 105 Ų | 105 | 119.9 Ų | 119.9 | 68% | 0.682 | 71% | 0.706 | S | S | * | * | trans | -96.1 | 140.4 | -164 | 35.3 | -35.8 | 0 | 0 | 0 | 115 | ||||
| 1090 | R | 22.6 | Very low | 26 | Very low | 241 Ų | 241 | 119.9 Ų | 119.9 | 91% | 0.909 | 72% | 0.718 | S | S | * | * | trans | -142.1 | 121.5 | 151.4 | -65.1 | -170.4 | 176.5 | 174.7 | 0.2 | 107.3 | ||||
| 1091 | I | 32.1 | Very low | 26 | Very low | 153 Ų | 153 | 119.5 Ų | 119.5 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | cis | 86.8 | 97.9 | 38.5 | -57.6 | 166.5 | 0 | 0 | 0 | 113.2 | ||||
| 1092 | S | 24.4 | Very low | 25.9 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | trans | -176.2 | 146.8 | 162.3 | 46 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1093 | D | 24.9 | Very low | 26 | Very low | 94 Ų | 94 | 123.9 Ų | 123.9 | 50% | 0.503 | 73% | 0.725 | S | S | . | * | cis | -165.7 | 159 | 11.3 | -134.2 | 51.4 | 0 | 0 | 0 | 109.3 | T1196 | D1093-T1196 WeakPolarHBondContact OD2-CA 3.33Å; D1093-T1196 PolarHBondContact OD2-N 2.83Å | ||
| 1094 | L | 23.4 | Very low | 26 | Very low | 86 Ų | 86 | 124.7 Ų | 124.7 | 45% | 0.45 | 73% | 0.731 | S | S | . | * | cis | -164.6 | 153.3 | -35.9 | -107.3 | -179 | 0 | 0 | 0 | 108.3 | T1196 | L1094-T1196 HydrophobicContact CB-CG2 3.74Å; L1094-T1196 WeakPolarHBondContact O-CG2 3.48Å | ||
| 1095 | R | 24.9 | Very low | 26.1 | Very low | 196 Ų | 196 | 128.9 Ų | 128.9 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | trans | 38 | 137.6 | 149.6 | -67.7 | 166 | -176.6 | 174.1 | 1.4 | 120.5 | K1197 | R1095-K1197 WeakPolarHBondContact O-CE 3.25Š| ||
| 1096 | S | 26.9 | Very low | 26.1 | Very low | 83 Ų | 83 | 130.2 Ų | 130.2 | 58% | 0.58 | 74% | 0.738 | S | S | * | * | 165 | 152.7 | 76.4 | 36.8 | 0 | 0 | 0 | 0 | 107.6 | K1197 | S1096-K1197 VanDerWaalsContact OG-CE 3.23Å; S1096-K1197 WeakPolarHBondContact OG-CE 3.49Å; S1096-K1197 PolarHBondContact OG-NZ 2.97Å | |||
| 1097 | V | 26.3 | Very low | 26 | Very low | 130 Ų | 130 | 130 Ų | 130 | 79% | 0.788 | 74% | 0.736 | S | S | * | * | -179.9 | 156.5 | 72.1 | 164.4 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 1098 | N | 26.8 | Very low | 26.1 | Very low | 145 Ų | 145 | 129 Ų | 129 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | cis | -176.6 | -169.5 | -28.6 | -169.7 | 13.6 | 0 | 0 | 0 | 106.8 | ||||
| 1099 | V | 29.6 | Very low | 26.1 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | trans | 78 | 130.4 | 171.6 | -168.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1100 | G | 27.2 | Very low | 25.9 | Very low | 65 Ų | 65 | 132.2 Ų | 132.2 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | cis | 160.9 | 126.4 | -15.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1101 | S | 27.1 | Very low | 26 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 81% | 0.811 | 72% | 0.715 | S | S | * | * | trans | 65.9 | 161 | 160.6 | -121.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1102 | E | 26.7 | Very low | 25.7 | Very low | 165 Ų | 165 | 123.4 Ų | 123.4 | 77% | 0.771 | 72% | 0.715 | S | S | * | * | cis | -141.6 | 155.9 | 10.6 | -58 | -170.8 | 126.4 | 0 | 0 | 114 | ||||
| 1103 | N | 26.4 | Very low | 25.9 | Very low | 137 Ų | 137 | 126 Ų | 126 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | trans | 36 | 151 | 130.4 | -59.2 | -23.4 | 0 | 0 | 0 | 123.5 | ||||
| 1104 | S | 25.4 | Very low | 25.9 | Very low | 94 Ų | 94 | 126.5 Ų | 126.5 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | cis | -175 | 165.6 | -10.8 | 56.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1105 | H | 28.4 | Very low | 26.7 | Very low | 182 Ų | 182 | 128.1 Ų | 128.1 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | trans | 67.1 | -177.4 | 152.9 | -68.1 | -54.3 | 0 | 0 | 0 | 122.4 | ||||
| 1106 | L | 23.4 | Very low | 26.9 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | trans | -141.8 | 149.1 | -137.7 | -92.1 | 154.7 | 0 | 0 | 0 | 116.5 | ||||
| 1107 | S | 22.7 | Very low | 27 | Very low | 104 Ų | 104 | 127 Ų | 127 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 77.2 | 152.5 | 143 | 67.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1108 | S | 24.9 | Very low | 27.2 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | 78.1 | 143.8 | 164.6 | 83.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1109 | D | 25 | Very low | 27.3 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | cis | -166.5 | 173.5 | -11.3 | -128 | -37.3 | 0 | 0 | 0 | 115.9 | ||||
| 1110 | L | 25.2 | Very low | 27.2 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | trans | 62.1 | 164.6 | 158.1 | -90.7 | 71.8 | 0 | 0 | 0 | 120.9 | ||||
| 1111 | S | 24.2 | Very low | 27.3 | Very low | 82 Ų | 82 | 130 Ų | 130 | 57% | 0.573 | 73% | 0.73 | S | S | * | * | cis | -179.6 | 173.3 | -46.2 | 61 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1112 | T | 26.1 | Very low | 27.4 | Very low | 128 Ų | 128 | 128.8 Ų | 128.8 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | trans | 79.4 | 148.4 | 165.3 | 67.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1113 | L | 27.7 | Very low | 27.5 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 84% | 0.838 | 72% | 0.723 | S | S | * | * | cis | -143.4 | 167.7 | 20.4 | -126.4 | 146.9 | 0 | 0 | 0 | 112.4 | ||||
| 1114 | S | 26.4 | Very low | 27.8 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | trans | -121 | -156.2 | 173.8 | -42.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1115 | P | 39.8 | Very low | 27.9 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | cis | -111.9 | -153.1 | 16 | 38.3 | -18 | 0 | 0 | 0 | 111.3 | ||||
| 1116 | D | 28.8 | Very low | 28.1 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | cis | -152.9 | -143.4 | 0.9 | -152 | -3.6 | 0 | 0 | 0 | 108.6 | ||||
| 1117 | L | 29.4 | Very low | 28.3 | Very low | 119 Ų | 119 | 124.7 Ų | 124.7 | 62% | 0.623 | 71% | 0.707 | S | S | * | * | cis | -156.9 | 99.7 | 3.2 | -142 | -163.1 | 0 | 0 | 0 | 112.4 | ||||
| 1118 | Q | 29.1 | Very low | 28.5 | Very low | 154 Ų | 154 | 129.8 Ų | 129.8 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | trans | 61.9 | 153.3 | 165 | -66.4 | 174.2 | 34.1 | 0 | 0 | 117.8 | ||||
| 1119 | Q | 30 | Very low | 28.4 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 61% | 0.607 | 71% | 0.712 | S | S | * | * | cis | -163.3 | 170.2 | 0.9 | -120.6 | -178.3 | 97 | 0 | 0 | 106.5 | ||||
| 1120 | K | 28 | Very low | 28.4 | Very low | 162 Ų | 162 | 126 Ų | 126 | 70% | 0.704 | 71% | 0.705 | S | S | * | * | cis | -163.8 | 168.6 | 4.5 | -151.4 | -177.4 | -166.9 | 124.4 | 0 | 110.1 | ||||
| 1121 | S | 28.3 | Very low | 28.5 | Very low | 93 Ų | 93 | 129.4 Ų | 129.4 | 65% | 0.65 | 71% | 0.71 | S | S | * | * | trans | 25.1 | 145.7 | 147.9 | 58.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1122 | S | 28.9 | Very low | 28.5 | Very low | 90 Ų | 90 | 132.1 Ų | 132.1 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | cis | 175.6 | 152.5 | -13.1 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1123 | H | 30.4 | Very low | 28.5 | Very low | 173 Ų | 173 | 130.9 Ų | 130.9 | 80% | 0.801 | 71% | 0.714 | S | S | * | * | trans | 66.5 | 149.7 | 155.1 | -67 | -53.1 | 0 | 0 | 0 | 119.2 | ||||
| 1124 | T | 31.1 | Very low | 28.5 | Very low | 103 Ų | 103 | 129.5 Ų | 129.5 | 63% | 0.632 | 71% | 0.707 | S | S | * | * | cis | -151.5 | 141.3 | 1.2 | 27 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1125 | D | 28.5 | Very low | 28.5 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | trans | 59.2 | 144.9 | 130.9 | -55.8 | -8.6 | 0 | 0 | 0 | 122.2 | ||||
| 1126 | T | 31.4 | Very low | 27.9 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 64% | 0.644 | 71% | 0.709 | S | S | * | * | cis | -159.9 | 150.8 | -0.3 | 17.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1127 | N | 28.2 | Very low | 27.7 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 70% | 0.695 | 72% | 0.715 | S | S | * | * | trans | 61.5 | 142.2 | 140.2 | -59.4 | -5.7 | 0 | 0 | 0 | 121.7 | ||||
| 1128 | Y | 27.6 | Very low | 27.7 | Very low | 210 Ų | 210 | 134.8 Ų | 134.8 | 82% | 0.824 | 72% | 0.717 | S | S | * | * | cis | -158.7 | 167.5 | -10 | -139.1 | -108.6 | 0 | 0 | 0 | 109.7 | ||||
| 1129 | S | 22.9 | Very low | 27.8 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | trans | -148.3 | 161.5 | 163.9 | 71 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1130 | G | 25.3 | Very low | 27.6 | Very low | 59 Ų | 59 | 138.6 Ų | 138.6 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | trans | 130.4 | 118.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1131 | Y | 26.5 | Very low | 27.6 | Very low | 214 Ų | 214 | 136 Ų | 136 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | trans | 71.1 | 106.6 | 132.5 | -63.8 | -71.7 | 0 | 0 | 0 | 123.6 | ||||
| 1132 | N | 24.8 | Very low | 27.3 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | 58.6 | 129.1 | 116 | -72.8 | 1.1 | 0 | 0 | 0 | 123.4 | |||||
| 1133 | S | 26.3 | Very low | 27.2 | Very low | 102 Ų | 102 | 140 Ų | 140 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | 108.3 | 117.7 | 129 | -77.5 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1134 | L | 26.7 | Very low | 26.8 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | trans | 79.8 | 109.4 | 140.4 | -63.4 | 165.1 | 0 | 0 | 0 | 121.4 | ||||
| 1135 | K | 26.9 | Very low | 26.6 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | 70.9 | 141.8 | 129 | -75.2 | 174.3 | -171.2 | 166.2 | 0 | 117.8 | |||||
| 1136 | R | 26.3 | Very low | 26.5 | Very low | 212 Ų | 212 | 138.7 Ų | 138.7 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | cis | -165.9 | 169.5 | 5.5 | -171.8 | -166.1 | -98.6 | 155.3 | -12.6 | 110.5 | ||||
| 1137 | V | 26.2 | Very low | 26.2 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | 95.1 | 126.3 | 156.8 | -170.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1138 | G | 29.4 | Very low | 26 | Very low | 66 Ų | 66 | 141 Ų | 141 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | trans | -168.4 | -24 | -177.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1139 | K | 29.9 | Very low | 25.8 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | trans | 66.4 | 158.3 | -173.9 | -48.2 | 171.4 | 174 | 177.2 | 0 | 114.2 | ||||
| 1140 | F | 27.1 | Very low | 25.9 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 79% | 0.789 | 74% | 0.742 | S | S | * | * | cis | -120.7 | 139.9 | -19.7 | -81.3 | -83.4 | 0 | 0 | 0 | 106.4 | ||||
| 1141 | S | 26.3 | Very low | 25.9 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | 62.6 | 118.4 | 76.3 | -142.8 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1142 | S | 22.3 | Very low | 25.8 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | -86.5 | 166.3 | 165.2 | 52.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1143 | D | 26.5 | Very low | 25.7 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | trans | -153.4 | 165.2 | 141.3 | -116.3 | -37.8 | 0 | 0 | 0 | 112.5 | ||||
| 1144 | S | 23.5 | Very low | 25.6 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | -118 | 176.8 | -168.9 | -56.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1145 | V | 27.4 | Very low | 25.6 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 74% | 0.739 | 75% | 0.75 | S | S | * | * | trans | 153.4 | 123.9 | 131.6 | 161.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1146 | H | 25.7 | Very low | 25.7 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 25 | 148.1 | 143.4 | -61.5 | -103.5 | 0 | 0 | 0 | 121.7 | ||||
| 1147 | M | 24.6 | Very low | 25.8 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 70% | 0.704 | 74% | 0.744 | S | S | * | * | cis | -164 | 170.2 | 2.5 | -125.7 | 173.5 | 96.9 | 0 | 0 | 113.1 | ||||
| 1148 | M | 24.4 | Very low | 26.2 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | trans | 70.6 | 126.3 | 151.3 | -102.9 | 166.2 | 160.2 | 0 | 0 | 122.4 | ||||
| 1149 | E | 23.9 | Very low | 26.2 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | 70.3 | 123.7 | 135.7 | -81.2 | -176.6 | -172 | 0 | 0 | 125.3 | ||||
| 1150 | S | 25.1 | Very low | 26.1 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | 76.8 | 110 | 124.9 | -64.9 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1151 | R | 24.2 | Very low | 26.2 | Very low | 221 Ų | 221 | 132.7 Ų | 132.7 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | trans | 73.4 | 122.1 | 134.3 | -64.5 | -173.7 | 180 | -159.3 | 1.3 | 121.6 | ||||
| 1152 | Q | 24.4 | Very low | 26 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | trans | 74.9 | 121.1 | 132.5 | -69.9 | -172.4 | -24 | 0 | 0 | 122.7 | ||||
| 1153 | L | 22.8 | Very low | 26 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | 60.1 | 104.2 | 134.9 | -88.9 | 74.5 | 0 | 0 | 0 | 121.8 | ||||
| 1154 | S | 24.7 | Very low | 25.8 | Very low | 96 Ų | 96 | 138.7 Ų | 138.7 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | 66.9 | 170.1 | 117.6 | 83.3 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 1155 | K | 26.6 | Very low | 25.8 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 77% | 0.774 | 74% | 0.736 | S | S | * | * | cis | -165.5 | 167.4 | 1.8 | -137.2 | 160.9 | -170.6 | 172.9 | 0 | 108.4 | ||||
| 1156 | T | 28.8 | Very low | 25.8 | Very low | 125 Ų | 125 | 149 Ų | 149 | 77% | 0.767 | 74% | 0.743 | S | S | * | * | trans | 154.8 | 136.1 | 140.6 | 42.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1157 | T | 28.2 | Very low | 26.1 | Very low | 109 Ų | 109 | 147 Ų | 147 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | cis | 77.8 | 159 | 23.6 | 81.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1158 | P | 35.6 | Very low | 26.2 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | cis | -90.3 | -161.2 | 36.9 | 40.5 | -42 | 0 | 0 | 0 | 113.2 | ||||
| 1159 | S | 28.1 | Very low | 26.3 | Very low | 107 Ų | 107 | 152.3 Ų | 152.3 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | cis | -162.4 | 168.5 | 2.8 | 6.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1160 | S | 28 | Very low | 26.2 | Very low | 88 Ų | 88 | 150.8 Ų | 150.8 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | cis | -175.8 | 145.2 | -30 | -92.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1161 | H | 28.5 | Very low | 26.5 | Very low | 159 Ų | 159 | 151.4 Ų | 151.4 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | 69.8 | 148.3 | 150.7 | -63.9 | -20.2 | 0 | 0 | 0 | 121.5 | ||||
| 1162 | R | 23.7 | Very low | 26.7 | Very low | 198 Ų | 198 | 150.3 Ų | 150.3 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | cis | -169.9 | 120.6 | -25.1 | -156.1 | 174 | -172.2 | 173.6 | 1.9 | 113 | ||||
| 1163 | F | 21.1 | Very low | 26.9 | Very low | 182 Ų | 182 | 152.8 Ų | 152.8 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | trans | 64.5 | 142.1 | 142.2 | -78.9 | -127.3 | 0 | 0 | 0 | 125 | ||||
| 1164 | V | 23.7 | Very low | 27.1 | Very low | 122 Ų | 122 | 151.8 Ų | 151.8 | 74% | 0.739 | 76% | 0.758 | S | S | * | * | trans | 106.1 | 119 | 133.3 | 153.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1165 | R | 23 | Very low | 27.3 | Very low | 241 Ų | 241 | 153.1 Ų | 153.1 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | trans | 74.5 | 146.9 | 149.9 | -79.3 | 176.9 | 178 | 175.2 | -1.2 | 124.9 | ||||
| 1166 | F | 27 | Very low | 27.4 | Very low | 201 Ų | 201 | 151.3 Ų | 151.3 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | -93.1 | 162.8 | 178.6 | -83.7 | -86 | 0 | 0 | 0 | 112 | ||||
| 1167 | P | 32.9 | Very low | 27.2 | Very low | 114 Ų | 114 | 151.3 Ų | 151.3 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | -151.5 | 158.4 | 69.3 | 35.7 | -12.5 | 0 | 0 | 0 | 121.2 | |||||
| 1168 | W | 25.4 | Very low | 27 | Very low | 214 Ų | 214 | 150.6 Ų | 150.6 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | 20.6 | 120.8 | 152.6 | -59.3 | 100.6 | 0 | 0 | 0 | 123.9 | ||||
| 1169 | H | 26.7 | Very low | 26.5 | Very low | 183 Ų | 183 | 150 Ų | 150 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | -173.3 | 155.5 | 97.3 | -110.1 | -76.4 | 0 | 0 | 0 | 113.7 | |||||
| 1170 | D | 22.8 | Very low | 26.2 | Very low | 125 Ų | 125 | 149.6 Ų | 149.6 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | trans | -74.4 | 176.9 | -179.9 | -85.5 | -69.3 | 0 | 0 | 0 | 115.6 | ||||
| 1171 | P | 31.2 | Very low | 26 | Very low | 104 Ų | 104 | 150.2 Ų | 150.2 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | cis | -140.5 | -174.7 | 18 | 26.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1172 | Y | 28.2 | Very low | 25.8 | Very low | 199 Ų | 199 | 148.1 Ų | 148.1 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | trans | 99.1 | 98.5 | 160.5 | -77.4 | -86.7 | 0 | 0 | 0 | 121.3 | ||||
| 1173 | Y | 27.4 | Very low | 25.7 | Very low | 211 Ų | 211 | 148 Ų | 148 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | 52.7 | 119.7 | 137.3 | -83.5 | -92.1 | 0 | 0 | 0 | 122.4 | ||||
| 1174 | P | 28.2 | Very low | 25.8 | Very low | 121 Ų | 121 | 144 Ų | 144 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -102.3 | 156.9 | 173.5 | 39.1 | -33.1 | 0 | 0 | 0 | 114.6 | ||||
| 1175 | S | 27.8 | Very low | 26.5 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | trans | -150.9 | 162.5 | 155.6 | 58.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1176 | T | 28.5 | Very low | 26.6 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | trans | -104.3 | 144.8 | -146.4 | 40.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1177 | T | 26.1 | Very low | 26.5 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | trans | -61.5 | 159.7 | 157.3 | 46.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1178 | S | 23.9 | Very low | 26 | Very low | 93 Ų | 93 | 139 Ų | 139 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | cis | 164.1 | 140.6 | -20.7 | 56.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1179 | S | 23.7 | Very low | 26 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | 57 | 114.1 | 147.4 | 65.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1180 | S | 22.9 | Very low | 25.9 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | 72.9 | 106.2 | 121.3 | 71.6 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1181 | S | 24 | Very low | 26 | Very low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | 81.5 | 140 | 115.1 | 67.2 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 1182 | T | 23 | Very low | 25.8 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | 98.9 | 133.1 | 137.7 | 20.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 1183 | F | 22.8 | Very low | 25.6 | Very low | 195 Ų | 195 | 128.3 Ų | 128.3 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | trans | 78.8 | 165.2 | 160.7 | -76.7 | -68.9 | 0 | 0 | 0 | 121.1 | ||||
| 1184 | S | 22.3 | Very low | 25.5 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | -162.9 | -168.9 | -148.4 | 62.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1185 | P | 40 | Very low | 25.3 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | cis | -130.4 | -163 | -39.2 | 32.4 | -11.6 | 0 | 0 | 0 | 112.7 | ||||
| 1186 | K | 23.2 | Very low | 25.2 | Very low | 168 Ų | 168 | 124.9 Ų | 124.9 | 73% | 0.73 | 73% | 0.731 | S | S | * | * | trans | 74 | 111.4 | 154 | -72.6 | -174.2 | 176.8 | -173.9 | 0 | 121.1 | ||||
| 1187 | L | 26.2 | Very low | 25.1 | Very low | 163 Ų | 163 | 124.3 Ų | 124.3 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | -139.8 | 114.5 | 125.2 | -88.3 | 166.8 | 0 | 0 | 0 | 105 | |||||
| 1188 | L | 22.9 | Very low | 25 | Very low | 138 Ų | 138 | 124.2 Ų | 124.2 | 72% | 0.723 | 71% | 0.711 | S | S | * | * | 58.1 | 132.5 | 84.6 | -81 | 81.1 | 0 | 0 | 0 | 113 | |||||
| 1189 | S | 23.8 | Very low | 25.2 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | cis | -161.9 | 175.1 | 3 | 57.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1190 | S | 25.4 | Very low | 25.2 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 66% | 0.664 | 71% | 0.713 | S | S | * | * | cis | -165.8 | 158.7 | 31.6 | 62.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1191 | L | 25.1 | Very low | 25.4 | Very low | 168 Ų | 168 | 131 Ų | 131 | 88% | 0.88 | 72% | 0.716 | S | S | * | * | trans | 62.1 | 139.5 | 144.2 | -71 | 166 | 0 | 0 | 0 | 123 | ||||
| 1192 | T | 25.7 | Very low | 25.3 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 78% | 0.779 | 71% | 0.709 | S | S | * | * | trans | -114.4 | 161.4 | 167.5 | 49.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1193 | S | 24.8 | Very low | 25.4 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | trans | 78.5 | 112.4 | 164.5 | 89.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1194 | W | 24.9 | Very low | 25.4 | Very low | 260 Ų | 260 | 133.1 Ų | 133.1 | 99% | 0.985 | 71% | 0.71 | S | S | * | * | -175.3 | 172.5 | 111.7 | -93.4 | 5.5 | 0 | 0 | 0 | 109.2 | |||||
| 1195 | G | 23.7 | Very low | 25.5 | Very low | 53 Ų | 53 | 135.5 Ų | 135.5 | 55% | 0.546 | 72% | 0.72 | S | S | . | * | trans | -157 | -155.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1196 | T | 27 | Very low | 24.7 | Very low | 72 Ų | 72 | 134.6 Ų | 134.6 | 44% | 0.442 | 72% | 0.716 | S | S | . | * | trans | 80.6 | 128.4 | 178 | -1.2 | 0 | 0 | 0 | 0 | 120.5 | D1093 L1094 | D1093-T1196 WeakPolarHBondContact OD2-CA 3.33Å; D1093-T1196 PolarHBondContact OD2-N 2.83Å; L1094-T1196 HydrophobicContact CB-CG2 3.74Å; L1094-T1196 WeakPolarHBondContact O-CG2 3.48Å | ||
| 1197 | K | 25.8 | Very low | 24.7 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 56% | 0.557 | 72% | 0.716 | S | S | * | * | trans | 77.7 | 146.9 | 152.3 | -58.8 | -156.5 | 168.8 | -175.2 | 0 | 120 | R1095 S1096 | R1095-K1197 WeakPolarHBondContact O-CE 3.25Å; S1096-K1197 VanDerWaalsContact OG-CE 3.23Å; S1096-K1197 WeakPolarHBondContact OG-CE 3.49Å; S1096-K1197 PolarHBondContact OG-NZ 2.97Å | ||
| 1198 | L | 24.9 | Very low | 24.6 | Very low | 122 Ų | 122 | 131 Ų | 131 | 64% | 0.639 | 71% | 0.714 | S | S | * | * | cis | -166.4 | 163.9 | -14.5 | -112.2 | -174.5 | 0 | 0 | 0 | 111.7 | ||||
| 1199 | Q | 27 | Very low | 24.6 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | trans | 65.7 | 150.4 | 152.7 | -74.2 | 168.1 | -41.6 | 0 | 0 | 118.5 | ||||
| 1200 | M | 24.6 | Very low | 24.6 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 65% | 0.645 | 72% | 0.716 | S | S | * | * | cis | -153 | 161.4 | -13.1 | -126.5 | 167.2 | 71.6 | 0 | 0 | 107.5 | ||||
| 1201 | L | 25.6 | Very low | 24.5 | Very low | 144 Ų | 144 | 139 Ų | 139 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | -167.1 | 135.9 | 71.9 | -133 | 160.4 | 0 | 0 | 0 | 111 | |||||
| 1202 | D | 23.3 | Very low | 24.4 | Very low | 105 Ų | 105 | 137 Ų | 137 | 56% | 0.561 | 72% | 0.72 | S | S | * | * | trans | -78.9 | 171.8 | 176.1 | -55.1 | -94.4 | 0 | 0 | 0 | 114 | ||||
| 1203 | F | 23.9 | Very low | 24.3 | Very low | 206 Ų | 206 | 135.7 Ų | 135.7 | 90% | 0.904 | 72% | 0.722 | S | S | * | * | -143.2 | 113.3 | 123.4 | -116.2 | -75.6 | 0 | 0 | 0 | 112.6 | |||||
| 1204 | H | 22.8 | Very low | 24.4 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 67% | 0.667 | 73% | 0.727 | S | S | * | * | trans | -76.9 | 162 | 168.8 | -105.5 | -96.6 | 0 | 0 | 0 | 111.5 | ||||
| 1205 | V | 25.5 | Very low | 24.6 | Very low | 148 Ų | 148 | 128.6 Ų | 128.6 | 90% | 0.897 | 71% | 0.712 | S | S | * | * | -158.1 | 152.2 | 125.4 | 141.5 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1206 | S | 22.2 | Very low | 24.8 | Very low | 87 Ų | 87 | 136 Ų | 136 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | trans | -138.3 | 155.8 | -172.3 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1207 | S | 23.8 | Very low | 24.9 | Very low | 104 Ų | 104 | 140 Ų | 140 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | 67.1 | 119.2 | 151.4 | -61 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1208 | N | 24.4 | Very low | 25.1 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 71.2 | 102.6 | 137.2 | -72.3 | -27 | 0 | 0 | 0 | 122.6 | ||||
| 1209 | R | 23 | Very low | 25.1 | Very low | 236 Ų | 236 | 142.7 Ų | 142.7 | 89% | 0.891 | 76% | 0.759 | S | S | * | * | 91 | 147.6 | 118.9 | -148.6 | -174.1 | -158.5 | -170.6 | 6.8 | 119.1 | |||||
| 1210 | V | 23.7 | Very low | 25.6 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 66% | 0.655 | 76% | 0.758 | S | S | * | * | trans | 98.2 | 99.2 | 161.4 | -173 | 0 | 0 | 0 | 0 | 118 | ||||
| 1211 | Q | 23.1 | Very low | 25.7 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 62.1 | 121.5 | 138.9 | -71.3 | 172.7 | -30.2 | 0 | 0 | 120.3 | ||||
| 1212 | C | 22.5 | Very low | 26 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | 74.7 | 143.8 | 77.5 | -64.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1213 | A | 24.9 | Very low | 26.3 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | cis | -151.3 | -170.9 | -10.5 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 1214 | S | 26.8 | Very low | 26.3 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | cis | -154.6 | -168.6 | 8.4 | 63.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1215 | S | 28.7 | Very low | 26.5 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | cis | -153.4 | 170.9 | 4.9 | 55.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1216 | R | 28.1 | Very low | 26.6 | Very low | 209 Ų | 209 | 142.6 Ų | 142.6 | 79% | 0.789 | 78% | 0.778 | S | S | * | * | cis | -145.3 | 168 | 22.4 | -56.3 | 176.7 | 175.3 | 173.7 | -2.7 | 107.6 | ||||
| 1217 | Q | 29.6 | Very low | 26.9 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 73% | 0.729 | 79% | 0.79 | S | S | * | * | cis | -160.5 | 169.2 | 4.9 | -135 | 157.9 | -31.9 | 0 | 0 | 110.1 | ||||
| 1218 | N | 29.1 | Very low | 27.1 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | 82.7 | 69.7 | 160.6 | -57.6 | -4.7 | 0 | 0 | 0 | 119.1 | ||||
| 1219 | D | 25.1 | Very low | 27.4 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -29.7 | 174.6 | 145.4 | -82.6 | -53.5 | 0 | 0 | 0 | 120.8 | ||||
| 1220 | P | 36.2 | Very low | 27.8 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | -131 | -167.4 | -149.7 | 46.1 | -31.5 | 0 | 0 | 0 | 115.5 | ||||
| 1221 | S | 27.3 | Very low | 28.1 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -177.5 | 160 | 135.5 | 38.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1222 | P | 31.5 | Very low | 28.3 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -115.7 | 168.9 | -174.7 | 41.7 | -32.5 | 0 | 0 | 0 | 115.3 | ||||
| 1223 | I | 29.8 | Very low | 28.7 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | -127.7 | 139.6 | 164.6 | -68.8 | 173.8 | 0 | 0 | 0 | 109.9 | ||||
| 1224 | S | 24 | Very low | 28.9 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | trans | -114.1 | 148.9 | 176.5 | 65.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1225 | F | 28.4 | Very low | 29 | Very low | 210 Ų | 210 | 142 Ų | 142 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | trans | -130 | 160 | 152.8 | -100.8 | -86 | 0 | 0 | 0 | 111.4 | ||||
| 1226 | R | 26.8 | Very low | 28.8 | Very low | 218 Ų | 218 | 145.6 Ų | 145.6 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | trans | -119.4 | 175 | -158.6 | -85.9 | -175.2 | 171.3 | -168.1 | 0.1 | 113.5 | ||||
| 1227 | L | 28.5 | Very low | 28.8 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | 91.9 | 129.2 | 158.7 | -62.8 | 114.4 | 0 | 0 | 0 | 116.7 | ||||
| 1228 | G | 28.7 | Very low | 28.6 | Very low | 65 Ų | 65 | 139.8 Ų | 139.8 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | cis | 169.2 | 167.3 | -11.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1229 | Q | 30.9 | Very low | 28.5 | Very low | 193 Ų | 193 | 137.8 Ų | 137.8 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | 71.2 | 145.7 | 169.8 | -50.9 | -178.5 | 4.8 | 0 | 0 | 115.5 | ||||
| 1230 | S | 29.8 | Very low | 28.6 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | cis | -149.4 | 123.9 | 5.6 | -174.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1231 | S | 30.1 | Very low | 28.2 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | 40.7 | 111.1 | 136.7 | -53.8 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 1232 | N | 28 | Very low | 28.1 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | 76.7 | 136.6 | 110.6 | -69.3 | 8.3 | 0 | 0 | 0 | 126.7 | |||||
| 1233 | N | 30.5 | Very low | 28 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | trans | 95.8 | 97.4 | 137.2 | -71.3 | 1.2 | 0 | 0 | 0 | 123.8 | ||||
| 1234 | N | 29.9 | Very low | 27.7 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | 54.6 | 119 | 115.5 | -58.7 | -3 | 0 | 0 | 0 | 123.9 | |||||
| 1235 | N | 27.2 | Very low | 27.8 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | 68.5 | 129.2 | 132.2 | -72.9 | -0.2 | 0 | 0 | 0 | 124.3 | ||||
| 1236 | L | 25.8 | Very low | 27.7 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | trans | 63.9 | 128.6 | 147.9 | -91.2 | 70.5 | 0 | 0 | 0 | 120.5 | ||||
| 1237 | G | 27.2 | Very low | 27.6 | Very low | 78 Ų | 78 | 127.6 Ų | 127.6 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 168.4 | 117.1 | 164 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1238 | N | 25.7 | Very low | 27.5 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | -84.9 | 145.9 | 178.3 | -73.7 | -26.5 | 0 | 0 | 0 | 112.2 | ||||
| 1239 | S | 27 | Very low | 27.3 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | 146.7 | 137.9 | 103.6 | 60.9 | 0 | 0 | 0 | 0 | 116 | |||||
| 1240 | S | 27.1 | Very low | 27 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 65.9 | 146.3 | 150.9 | 74.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1241 | S | 27.6 | Very low | 26.9 | Very low | 91 Ų | 91 | 124.5 Ų | 124.5 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | cis | -165.3 | 168.3 | -14.5 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1242 | R | 25.8 | Very low | 26.7 | Very low | 245 Ų | 245 | 124.6 Ų | 124.6 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | trans | 71.6 | 149.1 | 167.2 | -61 | 166.7 | 173.5 | 169.8 | -2.7 | 115.2 | ||||
| 1243 | S | 28.6 | Very low | 26.9 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | cis | -133.3 | 172.1 | 4.9 | 53.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 1244 | S | 25.1 | Very low | 27.1 | Very low | 106 Ų | 106 | 123.3 Ų | 123.3 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | -92.1 | 159.8 | -177.6 | 51 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1245 | S | 25.3 | Very low | 27.3 | Very low | 104 Ų | 104 | 119.1 Ų | 119.1 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | 163.9 | 163.9 | 106.7 | 57 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1246 | V | 26.6 | Very low | 27.5 | Very low | 138 Ų | 138 | 117.9 Ų | 117.9 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | trans | 62 | 128.4 | 168 | -162.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 1247 | G | 24.9 | Very low | 27.6 | Very low | 67 Ų | 67 | 116.4 Ų | 116.4 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | trans | -91.6 | 156.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1248 | N | 26.4 | Very low | 27.6 | Very low | 149 Ų | 149 | 119.9 Ų | 119.9 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | trans | -141.8 | 131.9 | 164.2 | -108.2 | -29.3 | 0 | 0 | 0 | 109 | S1250 | N1248-S1250 PolarHBondContact O-N 3.35Š| ||
| 1249 | V | 24.8 | Very low | 27.6 | Very low | 153 Ų | 153 | 118 Ų | 118 | 93% | 0.927 | 73% | 0.732 | S | S | * | * | trans | -84.1 | 65.5 | 174.9 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | G1251 | V1249-G1251 VanDerWaalsContact C-N 3.28Å; V1249-G1251 PolarHBondContact O-N 3.38Å | ||
| 1250 | S | 24.5 | Very low | 27.7 | Very low | 102 Ų | 102 | 115.4 Ų | 115.4 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | trans | -78.2 | 77.5 | 178.2 | -62.7 | 0 | 0 | 0 | 0 | 110.6 | N1248 S1252 | N1248-S1250 PolarHBondContact O-N 3.35Å; S1250-S1252 PolarHBondContact O-N 2.81Å | ||
| 1251 | G | 26.1 | Very low | 28.1 | Very low | 63 Ų | 63 | 114.5 Ų | 114.5 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | trans | -58.4 | 119.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V1249 L1253 | V1249-G1251 VanDerWaalsContact C-N 3.28Å; V1249-G1251 PolarHBondContact O-N 3.38Å; G1251-L1253 PolarHBondContact O-N 3.25Å; G1251-L1253 VanDerWaalsContact O-N 3.13Å | ||
| 1252 | S | 27.8 | Very low | 28.3 | Very low | 99 Ų | 99 | 118.9 Ų | 118.9 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | trans | -68.6 | 111.2 | -175.4 | -168.8 | 0 | 0 | 0 | 0 | 111 | S1250 I1254 | S1250-S1252 PolarHBondContact O-N 2.81Å; S1252-I1254 VanDerWaalsContact C-N 3.28Å; S1252-I1254 PolarHBondContact O-N 3.42Å | ||
| 1253 | L | 32.1 | Very low | 29.4 | Very low | 134 Ų | 134 | 110.1 Ų | 110.1 | 70% | 0.702 | 69% | 0.694 | S | S | * | * | trans | -74.1 | 80 | 176.2 | -73.5 | 172.2 | 0 | 0 | 0 | 110.4 | G1251 P1255 K1269 | G1251-L1253 PolarHBondContact O-N 3.25Å; G1251-L1253 VanDerWaalsContact O-N 3.13Å; L1253-P1255 VanDerWaalsContact O-CD 3.23Å; L1253-P1255 WeakPolarHBondContact O-CD 3.36Å; L1253-K1269 WeakPolarHBondContact CD2-O 3.29Å | ||
| 1254 | I | 33.4 | Very low | 30.8 | Very low | 113 Ų | 113 | 108.6 Ų | 108.6 | 58% | 0.579 | 68% | 0.675 | S | S | * | * | trans | -88.4 | 111.6 | 178.2 | -59 | 169.1 | 0 | 0 | 0 | 109.4 | S1252 T1256 | S1252-I1254 VanDerWaalsContact C-N 3.28Å; S1252-I1254 PolarHBondContact O-N 3.42Å; I1254-T1256 PolarHBondContact O-N 2.75Å | ||
| 1255 | P | 33.4 | Very low | 32.8 | Very low | 48 Ų | 48 | 104.1 Ų | 104.1 | 31% | 0.312 | 64% | 0.643 | S | S | . | * | trans | -70.7 | 120.7 | 160.1 | 30.1 | -32.5 | 0 | 0 | 0 | 108.3 | L1253 N1257 | L1253-P1255 VanDerWaalsContact O-CD 3.23Å; L1253-P1255 WeakPolarHBondContact O-CD 3.36Å; P1255-N1257 PolarHBondContact O-N 3.1Å | ||
| 1256 | T | 32.7 | Very low | 35.2 | Very low | 115 Ų | 115 | 100 Ų | 100 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | trans | -67.3 | 113.2 | -170.6 | 42.7 | 0 | 0 | 0 | 0 | 112.1 | I1254 I1258 | I1254-T1256 PolarHBondContact O-N 2.75Å; T1256-I1258 PolarHBondContact O-N 2.89Å | ||
| 1257 | N | 27.6 | Very low | 37.6 | Very low | 141 Ų | 141 | 93.5 Ų | 93.5 | 75% | 0.754 | 57% | 0.573 | S | S | * | * | trans | -89.8 | 91.5 | -177.2 | -175.1 | 15.9 | 0 | 0 | 0 | 111.1 | P1255 S1259 | P1255-N1257 PolarHBondContact O-N 3.1Å; N1257-S1259 PolarHBondContact O-N 3.36Å | ||
| 1258 | I | 26.1 | Very low | 39.9 | Very low | 151 Ų | 151 | 94.1 Ų | 94.1 | 77% | 0.774 | 56% | 0.555 | S | S | * | * | trans | -82.2 | 108.2 | 169.6 | -59.2 | 177.7 | 0 | 0 | 0 | 108.4 | T1256 G1260 | T1256-I1258 PolarHBondContact O-N 2.89Å; I1258-G1260 PolarHBondContact O-N 3.39Å | ||
| 1259 | S | 27.4 | Very low | 42.1 | Very low | 124 Ų | 124 | 92.5 Ų | 92.5 | 87% | 0.867 | 54% | 0.541 | S | S | * | . | S | Bend | trans | 19.4 | 58.8 | 158.1 | -166.2 | 0 | 0 | 0 | 0 | 119.3 | N1257 | N1257-S1259 PolarHBondContact O-N 3.36Š|
| 1260 | G | 28.2 | Very low | 44.6 | Very low | 51 Ų | 51 | 86.7 Ų | 86.7 | 53% | 0.526 | 50% | 0.504 | S | S | . | . | S | Bend | trans | 116.5 | 142.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | I1258 R1262 | I1258-G1260 PolarHBondContact O-N 3.39Å; G1260-R1262 PolarHBondContact O-N 3.32Å |
| 1261 | A | 34.9 | Very low | 47.2 | Very low | 90 Ų | 90 | 82.9 Ų | 82.9 | 74% | 0.744 | 48% | 0.475 | S | S | * | . | S | Bend | trans | 63 | -4.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||
| 1262 | R | 33.4 | Very low | 49.2 | Very low | 184 Ų | 184 | 81.3 Ų | 81.3 | 69% | 0.694 | 46% | 0.459 | S | S | * | . | trans | -131.2 | 138.2 | 172.6 | -65.2 | -176.4 | -179.2 | 172 | 1.8 | 113 | G1260 | G1260-R1262 PolarHBondContact O-N 3.32Š| ||
| 1263 | M | 49 | Very low | 50.5 | Low | 61 Ų | 61 | 81.5 Ų | 81.5 | 30% | 0.3 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 128 | 162.8 | -82.7 | -122.5 | -81.9 | 0 | 0 | 109.3 | R1380 E1444 F1494 | M1263-R1380 PolarHBondContact SD-NH2 3Å; M1263-E1444 WeakPolarHBondContact CE-OE2 3.41Å; M1263-F1494 PolarHBondContact O-N 2.89Å |
| 1264 | I | 56.9 | Low | 51.6 | Low | 88 Ų | 88 | 80.2 Ų | 80.2 | 45% | 0.451 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 124.9 | 176.8 | -44 | -173.4 | 0 | 0 | 0 | 107.6 | Y1491 L1493 | I1264-Y1491 HydrophobicContact CG2-CD1 3.87Å; I1264-Y1491 HydrophobicContact CG2-CG 4.11Å; I1264-L1493 HydrophobicContact CD1-CD2 4.18Å; I1264-L1493 HydrophobicContact CG1-CD2 3.85Å; I1264-L1493 HydrophobicContact CG2-CD2 4.34Å |
| 1265 | L | 67.8 | Low | 52.6 | Low | 12 Ų | 12 | 76 Ų | 76 | 6% | 0.063 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 108 | 176.9 | -126.6 | 77 | 0 | 0 | 0 | 109.7 | L1267 I1270 F1375 F1445 I1447 Y1491 L1492 F1494 | L1265-L1267 PolarHBondContact O-N 3.31Å; L1265-I1270 HydrophobicContact CD2-CD1 3.59Å; L1265-I1270 HydrophobicContact CG-CD1 3.81Å; L1265-F1375 HydrophobicContact CD2-CE1 4.16Å; L1265-F1445 HydrophobicContact CD1-CZ 3.99Å; L1265-F1445 HydrophobicContact CD2-CE2 3.77Å; L1265-F1445 HydrophobicContact CD2-CZ 3.69Å; L1265-I1447 HydrophobicContact CD2-CD1 3.83Å; L1265-Y1491 WeakPolarHBondContact O-CA 3.36Å; L1265-L1492 HydrophobicContact CB-CB 4.02Å; L1265-L1492 PolarHBondContact N-O 3.46Å; L1265-L1492 PolarHBondContact O-N 2.96Å; L1265-F1494 HydrophobicContact CB-CE2 4.27Å; L1265-F1494 HydrophobicContact CD2-CE2 4.36Å |
| 1266 | D | 75.7 | Confident | 53.6 | Low | 18 Ų | 18 | 75.1 Ų | 75.1 | 10% | 0.096 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 100.8 | 173.5 | -175.5 | -5 | 0 | 0 | 0 | 109.5 | R1268 K1269 Y1491 | D1266-R1268 PolarHBondContact O-N 3.45Å; D1266-R1268 IonicContact OD1-CZ 2.69Å; D1266-R1268 PolarHBondContact OD1-N 3.27Å; D1266-R1268 IonicContact OD1-NE 2.68Å; D1266-R1268 PolarHBondContact OD1-NE 2.77Å; D1266-R1268 IonicContact OD1-NH2 3.79Å; D1266-R1268 PolarHBondContact OD1-NH2 2.58Å; D1266-R1268 IonicContact OD2-NH2 2.92Å; D1266-R1268 PolarHBondContact OD2-NH2 3.28Å; D1266-K1269 HydrophobicContact CB-CB 4.46Å; D1266-K1269 HydrophobicContact CB-CD 4.1Å; D1266-K1269 HydrophobicContact CB-CG 4.15Å; D1266-K1269 WeakPolarHBondContact O-CB 3.46Å; D1266-K1269 PolarHBondContact O-N 3.24Å; D1266-K1269 WeakPolarHBondContact OD2-CE 3.19Å; D1266-K1269 IonicContact OD2-NZ 2.77Å; D1266-K1269 PolarHBondContact OD2-NZ 2.92Å; D1266-Y1491 HydrophobicContact CB-CD1 3.85Å; D1266-Y1491 HydrophobicContact CB-CE1 3.7Å |
| 1267 | L | 76.6 | Confident | 54.8 | Low | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -27.7 | -172.9 | -68 | 168 | 0 | 0 | 0 | 113.2 | L1265 K1269 I1270 F1271 F1275 I1447 I1485 P1490 L1492 | L1265-L1267 PolarHBondContact O-N 3.31Å; L1267-K1269 PolarHBondContact O-N 3.27Å; L1267-I1270 PolarHBondContact O-N 3.27Å; L1267-F1271 HydrophobicContact CB-CD2 4.38Å; L1267-F1271 HydrophobicContact CD2-CD2 4.05Å; L1267-F1271 HydrophobicContact CD2-CE2 3.74Å; L1267-F1271 PolarHBondContact O-N 3.11Å; L1267-F1275 HydrophobicContact CB-CD1 4.12Å; L1267-F1275 HydrophobicContact CB-CE1 3.32Å; L1267-F1275 HydrophobicContact CB-CZ 3.61Å; L1267-F1275 HydrophobicContact CD1-CE1 3.96Å; L1267-F1275 HydrophobicContact CD1-CZ 4.04Å; L1267-F1275 HydrophobicContact CG-CE1 4.25Å; L1267-F1275 HydrophobicContact CG-CZ 4.3Å; L1267-I1447 HydrophobicContact CD2-CD1 4.26Å; L1267-I1485 HydrophobicContact CD1-CD1 3.49Å; L1267-I1485 VanDerWaalsContact CD1-CD1 3.49Å; L1267-P1490 HydrophobicContact CB-CB 4.45Å; L1267-P1490 WeakPolarHBondContact CB-O 3.33Å; L1267-P1490 WeakPolarHBondContact CD1-O 3.31Å; L1267-P1490 VanDerWaalsContact CG-O 3.24Å; L1267-P1490 WeakPolarHBondContact CG-O 3.46Å; L1267-P1490 PolarHBondContact N-O 3.09Å; L1267-L1492 HydrophobicContact CD1-CD1 4.16Å; L1267-L1492 HydrophobicContact CD1-CD2 4.36Å; L1267-L1492 HydrophobicContact CD1-CG 3.91Å; L1267-L1492 HydrophobicContact CD2-CD1 3.93Å; L1267-L1492 HydrophobicContact CD2-CG 4.32Å; L1267-L1492 HydrophobicContact CG-CD1 4.35Å; L1267-L1492 HydrophobicContact CG-CG 4.2Å |
| 1268 | R | 73.1 | Confident | 56.7 | Low | 81 Ų | 81 | 72.9 Ų | 72.9 | 31% | 0.306 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.8 | -31.6 | 172.9 | -66.5 | 172.1 | -68.6 | -154.6 | 1.6 | 113.1 | D1266 I1270 G1272 I1276 P1490 Y1491 | D1266-R1268 PolarHBondContact O-N 3.45Å; D1266-R1268 IonicContact OD1-CZ 2.69Å; D1266-R1268 PolarHBondContact OD1-N 3.27Å; D1266-R1268 IonicContact OD1-NE 2.68Å; D1266-R1268 PolarHBondContact OD1-NE 2.77Å; D1266-R1268 IonicContact OD1-NH2 3.79Å; D1266-R1268 PolarHBondContact OD1-NH2 2.58Å; D1266-R1268 IonicContact OD2-NH2 2.92Å; D1266-R1268 PolarHBondContact OD2-NH2 3.28Å; R1268-I1270 PolarHBondContact O-N 2.84Å; R1268-G1272 WeakPolarHBondContact CA-O 3.41Å; R1268-G1272 CarbonylContact O-C 3.54Å; R1268-G1272 VanDerWaalsContact O-CA 3.25Å; R1268-G1272 WeakPolarHBondContact O-CA 3.41Å; R1268-G1272 PolarHBondContact O-N 3.41Å; R1268-G1272 VanDerWaalsContact O-O 3.1Å; R1268-I1276 HydrophobicContact CG-CD1 3.78Å; R1268-I1276 HydrophobicContact CG-CG1 3.82Å; R1268-P1490 HydrophobicContact CG-CB 4.18Å; R1268-Y1491 PolarHBondContact NH2-OH 3.43Å |
| 1269 | K | 73.1 | Confident | 59.2 | Low | 115 Ų | 115 | 67.2 Ų | 67.2 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -77.9 | -13 | 178.4 | -65.2 | -176.3 | 177.9 | 110.8 | 0 | 112.5 | L1253 D1266 L1267 | L1253-K1269 WeakPolarHBondContact CD2-O 3.29Å; D1266-K1269 HydrophobicContact CB-CB 4.46Å; D1266-K1269 HydrophobicContact CB-CD 4.1Å; D1266-K1269 HydrophobicContact CB-CG 4.15Å; D1266-K1269 WeakPolarHBondContact O-CB 3.46Å; D1266-K1269 PolarHBondContact O-N 3.24Å; D1266-K1269 WeakPolarHBondContact OD2-CE 3.19Å; D1266-K1269 IonicContact OD2-NZ 2.77Å; D1266-K1269 PolarHBondContact OD2-NZ 2.92Å; L1267-K1269 PolarHBondContact O-N 3.27Å |
| 1270 | I | 77.2 | Confident | 62.1 | Low | 31 Ų | 31 | 61.6 Ų | 61.6 | 16% | 0.159 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -98.8 | -54.1 | 178.3 | -64.3 | 169 | 0 | 0 | 0 | 110 | L1265 L1267 R1268 F1375 L1414 | L1265-I1270 HydrophobicContact CD2-CD1 3.59Å; L1265-I1270 HydrophobicContact CG-CD1 3.81Å; L1267-I1270 PolarHBondContact O-N 3.27Å; R1268-I1270 PolarHBondContact O-N 2.84Å; I1270-F1375 HydrophobicContact CD1-CD1 4.01Å; I1270-F1375 HydrophobicContact CD1-CE1 3.77Å; I1270-F1375 HydrophobicContact CD1-CE2 4.28Å; I1270-F1375 HydrophobicContact CD1-CG 4.37Å; I1270-F1375 HydrophobicContact CD1-CZ 3.91Å; I1270-F1375 HydrophobicContact CG1-CD2 4.45Å; I1270-F1375 HydrophobicContact CG1-CE2 4.2Å; I1270-F1375 HydrophobicContact CG1-CZ 4.25Å; I1270-F1375 HydrophobicContact CG2-CB 3.83Å; I1270-F1375 HydrophobicContact CG2-CD1 4.26Å; I1270-F1375 HydrophobicContact CG2-CD2 3.4Å; I1270-F1375 VanDerWaalsContact CG2-CD2 3.4Å; I1270-F1375 HydrophobicContact CG2-CE2 3.97Å; I1270-F1375 HydrophobicContact CG2-CG 3.55Å; I1270-L1414 HydrophobicContact CG2-CD1 4.37Å; I1270-L1414 WeakPolarHBondContact O-CD2 3.36Å |
| 1271 | F | 78.7 | Confident | 65 | Low | 21 Ų | 21 | 60.2 Ų | 60.2 | 9% | 0.092 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -104.6 | 5.3 | -170.2 | -58.8 | -75.2 | 0 | 0 | 0 | 113.7 | L1267 F1275 E1373 F1375 L1414 I1447 H1449 | L1267-F1271 HydrophobicContact CB-CD2 4.38Å; L1267-F1271 HydrophobicContact CD2-CD2 4.05Å; L1267-F1271 HydrophobicContact CD2-CE2 3.74Å; L1267-F1271 PolarHBondContact O-N 3.11Å; F1271-F1275 HydrophobicContact CB-CD2 3.29Å; F1271-F1275 HydrophobicContact CB-CE2 3.38Å; F1271-F1275 HydrophobicContact CB-CG 4.15Å; F1271-F1275 HydrophobicContact CB-CZ 4.32Å; F1271-F1275 HydrophobicContact CD2-CD2 4.38Å; F1271-F1275 AromaticContact CD2-CE2 3.6Å; F1271-F1275 HydrophobicContact CD2-CE2 3.6Å; F1271-F1275 AromaticContact CD2-CZ 3.87Å; F1271-F1275 HydrophobicContact CD2-CZ 3.87Å; F1271-F1275 HydrophobicContact CG-CD2 4.12Å; F1271-F1275 AromaticContact CG-CE2 3.66Å; F1271-F1275 HydrophobicContact CG-CE2 3.66Å; F1271-F1275 HydrophobicContact CG-CZ 4.39Å; F1271-E1373 HydrophobicContact CD1-CB 3.92Å; F1271-E1373 WeakPolarHBondContact CD1-OE2 3.14Å; F1271-E1373 HydrophobicContact CE1-CB 3.84Å; F1271-F1375 HydrophobicContact CE1-CB 4.1Å; F1271-F1375 HydrophobicContact CE2-CB 4.47Å; F1271-F1375 HydrophobicContact CZ-CB 3.66Å; F1271-L1414 HydrophobicContact CD1-CD1 3.81Å; F1271-L1414 HydrophobicContact CE1-CD1 3.61Å; F1271-I1447 HydrophobicContact CE2-CG2 4.34Å; F1271-I1447 HydrophobicContact CZ-CB 4.48Å; F1271-I1447 HydrophobicContact CZ-CG2 4.09Å; F1271-H1449 HydrophobicContact CE1-CB 4.31Å; F1271-H1449 HydrophobicContact CZ-CB 4.48Å |
| 1272 | G | 68.1 | Low | 67.4 | Low | 31 Ų | 31 | 60.3 Ų | 60.3 | 32% | 0.32 | 31% | 0.307 | S | S | . | . | trans | 105.1 | 161 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1268 T1274 F1275 | R1268-G1272 WeakPolarHBondContact CA-O 3.41Å; R1268-G1272 CarbonylContact O-C 3.54Å; R1268-G1272 VanDerWaalsContact O-CA 3.25Å; R1268-G1272 WeakPolarHBondContact O-CA 3.41Å; R1268-G1272 PolarHBondContact O-N 3.41Å; R1268-G1272 VanDerWaalsContact O-O 3.1Å; G1272-T1274 VanDerWaalsContact C-N 3.35Å; G1272-T1274 PolarHBondContact O-N 3.01Å; G1272-F1275 WeakPolarHBondContact O-CB 3.25Å; G1272-F1275 PolarHBondContact O-N 3.1Å | ||
| 1273 | S | 55.5 | Low | 70 | Confident | 103 Ų | 103 | 51.8 Ų | 51.8 | 72% | 0.72 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -69 | -28.6 | -175 | 50.5 | 0 | 0 | 0 | 0 | 114.2 | F1275 | S1273-F1275 PolarHBondContact O-N 3.05Š|
| 1274 | T | 54.7 | Low | 72 | Confident | 106 Ų | 106 | 48.9 Ų | 48.9 | 65% | 0.65 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -76.4 | 1.8 | 179.1 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | G1272 I1276 | G1272-T1274 VanDerWaalsContact C-N 3.35Å; G1272-T1274 PolarHBondContact O-N 3.01Å; T1274-I1276 PolarHBondContact O-N 3.01Å |
| 1275 | F | 54.3 | Low | 73.5 | Confident | 25 Ų | 25 | 48 Ų | 48 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -68.9 | -27.4 | -166.1 | 173 | -94.1 | 0 | 0 | 0 | 115.7 | L1267 F1271 G1272 S1273 H1449 F1456 | L1267-F1275 HydrophobicContact CB-CD1 4.12Å; L1267-F1275 HydrophobicContact CB-CE1 3.32Å; L1267-F1275 HydrophobicContact CB-CZ 3.61Å; L1267-F1275 HydrophobicContact CD1-CE1 3.96Å; L1267-F1275 HydrophobicContact CD1-CZ 4.04Å; L1267-F1275 HydrophobicContact CG-CE1 4.25Å; L1267-F1275 HydrophobicContact CG-CZ 4.3Å; F1271-F1275 HydrophobicContact CB-CD2 3.29Å; F1271-F1275 HydrophobicContact CB-CE2 3.38Å; F1271-F1275 HydrophobicContact CB-CG 4.15Å; F1271-F1275 HydrophobicContact CB-CZ 4.32Å; F1271-F1275 HydrophobicContact CD2-CD2 4.38Å; F1271-F1275 AromaticContact CD2-CE2 3.6Å; F1271-F1275 HydrophobicContact CD2-CE2 3.6Å; F1271-F1275 AromaticContact CD2-CZ 3.87Å; F1271-F1275 HydrophobicContact CD2-CZ 3.87Å; F1271-F1275 HydrophobicContact CG-CD2 4.12Å; F1271-F1275 AromaticContact CG-CE2 3.66Å; F1271-F1275 HydrophobicContact CG-CE2 3.66Å; F1271-F1275 HydrophobicContact CG-CZ 4.39Å; G1272-F1275 WeakPolarHBondContact O-CB 3.25Å; G1272-F1275 PolarHBondContact O-N 3.1Å; S1273-F1275 PolarHBondContact O-N 3.05Å; F1275-H1449 AromaticContact CE2-CE1 3.82Å; F1275-F1456 HydrophobicContact CE1-CZ 4.12Å; F1275-F1456 AromaticContact CE2-CE1 3.62Å; F1275-F1456 HydrophobicContact CE2-CE1 3.62Å; F1275-F1456 AromaticContact CE2-CZ 3.46Å; F1275-F1456 HydrophobicContact CE2-CZ 3.46Å; F1275-F1456 VanDerWaalsContact CE2-CZ 3.46Å; F1275-F1456 AromaticContact CZ-CE1 3.35Å; F1275-F1456 HydrophobicContact CZ-CE1 3.35Å; F1275-F1456 HydrophobicContact CZ-CE2 4.27Å; F1275-F1456 AromaticContact CZ-CZ 3.15Å; F1275-F1456 HydrophobicContact CZ-CZ 3.15Å |
| 1276 | I | 54.7 | Low | 74.4 | Confident | 30 Ų | 30 | 49.3 Ų | 49.3 | 15% | 0.154 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -97.9 | -24.6 | 179.9 | -37.1 | 173.5 | 0 | 0 | 0 | 112.4 | R1268 T1274 H1278 P1490 | R1268-I1276 HydrophobicContact CG-CD1 3.78Å; R1268-I1276 HydrophobicContact CG-CG1 3.82Å; T1274-I1276 PolarHBondContact O-N 3.01Å; I1276-H1278 PolarHBondContact O-N 3.21Å; I1276-H1278 PolarHBondContact O-ND1 3.28Å; I1276-H1278 VanDerWaalsContact O-ND1 3.17Å; I1276-P1490 HydrophobicContact CD1-CB 3.55Å; I1276-P1490 HydrophobicContact CD1-CG 3.63Å; I1276-P1490 HydrophobicContact CG1-CB 4.14Å |
| 1277 | E | 57.1 | Low | 75 | Confident | 154 Ų | 154 | 48.5 Ų | 48.5 | 72% | 0.72 | 26% | 0.261 | S | S | * | . | trans | -70.6 | 95.4 | -172.4 | -69 | -166.9 | 139.7 | 0 | 0 | 110.5 | S1279 | E1277-S1279 PolarHBondContact O-N 3.48Š| ||
| 1278 | H | 68 | Low | 75.6 | Confident | 54 Ų | 54 | 52.2 Ų | 52.2 | 25% | 0.25 | 28% | 0.278 | C | S | . | . | trans | -72 | 71.1 | -178.6 | -67.4 | -19.5 | 0 | 0 | 0 | 111.6 | I1276 L1280 L1312 | I1276-H1278 PolarHBondContact O-N 3.21Å; I1276-H1278 PolarHBondContact O-ND1 3.28Å; I1276-H1278 VanDerWaalsContact O-ND1 3.17Å; H1278-L1280 PolarHBondContact O-N 2.81Å; H1278-L1312 HydrophobicContact CB-CD1 3.77Å; H1278-L1312 HydrophobicContact CB-CD2 4.45Å | ||
| 1279 | S | 78.3 | Confident | 76.1 | Confident | 32 Ų | 32 | 52.3 Ų | 52.3 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | trans | -65.2 | 115.4 | 178 | 172 | 0 | 0 | 0 | 0 | 111 | E1277 I1281 D1282 D1283 | E1277-S1279 PolarHBondContact O-N 3.48Å; S1279-I1281 PolarHBondContact O-N 2.73Å; S1279-I1281 VanDerWaalsContact O-N 3.17Å; S1279-I1281 WeakPolarHBondContact OG-CB 3.47Å; S1279-I1281 PolarHBondContact OG-N 3.43Å; S1279-D1282 WeakPolarHBondContact CB-OD1 3.48Å; S1279-D1282 PolarHBondContact O-N 3.39Å; S1279-D1282 VanDerWaalsContact O-N 3.14Å; S1279-D1282 VanDerWaalsContact OG-CG 3.3Å; S1279-D1282 PolarHBondContact OG-N 3.36Å; S1279-D1282 VanDerWaalsContact OG-N 3.15Å; S1279-D1282 PolarHBondContact OG-OD1 3.36Å; S1279-D1283 PolarHBondContact O-N 3.11Å | ||
| 1280 | L | 88 | Confident | 76.6 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -51.4 | -33.2 | 167 | 171.2 | 58.4 | 0 | 0 | 0 | 112 | L1048 Y1051 H1278 I1284 F1303 H1316 R1319 L1320 | L1048-L1280 HydrophobicContact CD2-CD1 3.91Å; Y1051-L1280 HydrophobicContact CD1-CD2 3.96Å; Y1051-L1280 HydrophobicContact CE1-CD2 3.6Å; Y1051-L1280 HydrophobicContact CE1-CG 4.32Å; H1278-L1280 PolarHBondContact O-N 2.81Å; L1280-I1284 HydrophobicContact CD1-CD1 3.95Å; L1280-I1284 HydrophobicContact CD1-CG1 4.37Å; L1280-I1284 HydrophobicContact CG-CD1 3.98Å; L1280-I1284 VanDerWaalsContact O-CD1 3.3Å; L1280-I1284 WeakPolarHBondContact O-CD1 3.16Å; L1280-I1284 WeakPolarHBondContact O-CG1 3.39Å; L1280-I1284 PolarHBondContact O-N 2.81Å; L1280-I1284 VanDerWaalsContact O-N 3.16Å; L1280-F1303 HydrophobicContact CD1-CE2 3.81Å; L1280-F1303 HydrophobicContact CD1-CZ 3.47Å; L1280-F1303 VanDerWaalsContact CD1-CZ 3.47Å; L1280-H1316 HydrophobicContact CD1-CB 3.97Å; L1280-R1319 HydrophobicContact CD2-CB 4.31Å; L1280-L1320 HydrophobicContact CD2-CB 4.21Å |
| 1281 | I | 89 | Confident | 76.7 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 11% | 0.113 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -73.8 | -38 | -176.6 | -62.4 | 156.5 | 0 | 0 | 0 | 110 | Y1051 V1055 S1279 I1284 H1285 | Y1051-I1281 HydrophobicContact CE1-CG1 4.49Å; V1055-I1281 HydrophobicContact CB-CD1 3.97Å; V1055-I1281 HydrophobicContact CG1-CD1 3.65Å; V1055-I1281 HydrophobicContact CG2-CD1 4.4Å; S1279-I1281 PolarHBondContact O-N 2.73Å; S1279-I1281 VanDerWaalsContact O-N 3.17Å; S1279-I1281 WeakPolarHBondContact OG-CB 3.47Å; S1279-I1281 PolarHBondContact OG-N 3.43Å; I1281-I1284 PolarHBondContact O-N 3.05Å; I1281-H1285 VanDerWaalsContact CG2-CD2 3.5Å; I1281-H1285 WeakPolarHBondContact CG2-CD2 3.39Å; I1281-H1285 VanDerWaalsContact CG2-NE2 3.34Å; I1281-H1285 WeakPolarHBondContact CG2-NE2 3.25Å; I1281-H1285 PolarHBondContact O-CD2 3.47Å; I1281-H1285 PolarHBondContact O-N 3.48Å |
| 1282 | D | 85.8 | Confident | 76.8 | Confident | 91 Ų | 91 | 58 Ų | 58 | 49% | 0.487 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -71 | -37 | -179.3 | -64.8 | 32.2 | 0 | 0 | 0 | 111.1 | S1279 H1285 S1286 | S1279-D1282 WeakPolarHBondContact CB-OD1 3.48Å; S1279-D1282 PolarHBondContact O-N 3.39Å; S1279-D1282 VanDerWaalsContact O-N 3.14Å; S1279-D1282 VanDerWaalsContact OG-CG 3.3Å; S1279-D1282 PolarHBondContact OG-N 3.36Å; S1279-D1282 VanDerWaalsContact OG-N 3.15Å; S1279-D1282 PolarHBondContact OG-OD1 3.36Å; D1282-H1285 PolarHBondContact O-N 3.09Å; D1282-S1286 WeakPolarHBondContact O-CB 3.2Å; D1282-S1286 PolarHBondContact O-N 3.5Å; D1282-S1286 PolarHBondContact O-OG 2.97Å |
| 1283 | D | 88.8 | Confident | 77.5 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 3% | 0.032 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.4 | -37.3 | 172.4 | -74.5 | -50 | 0 | 0 | 0 | 112.3 | S1279 I1287 F1303 L1306 K1310 H1316 | S1279-D1283 PolarHBondContact O-N 3.11Å; D1283-I1287 PolarHBondContact O-N 2.84Å; D1283-I1287 VanDerWaalsContact O-N 3.16Å; D1283-F1303 HydrophobicContact CB-CE2 4.27Å; D1283-L1306 HydrophobicContact CB-CD2 4.15Å; D1283-L1306 WeakPolarHBondContact OD1-CD2 3.46Å; D1283-K1310 IonicContact OD1-NZ 2.71Å; D1283-K1310 PolarHBondContact OD1-NZ 3.37Å; D1283-K1310 IonicContact OD2-NZ 3.5Å; D1283-K1310 PolarHBondContact OD2-NZ 3Å; D1283-H1316 IonicContact OD2-CE1 3.92Å; D1283-H1316 PolarHBondContact OD2-CE1 3.34Å; D1283-H1316 IonicContact OD2-NE2 2.86Å; D1283-H1316 PolarHBondContact OD2-NE2 2.97Å |
| 1284 | I | 90.7 | Very high | 79 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.3 | -49 | 172 | -70.7 | 163.2 | 0 | 0 | 0 | 110.4 | W1045 L1048 A1052 L1280 I1281 I1287 Q1288 F1303 | W1045-I1284 HydrophobicContact CH2-CG2 4.01Å; L1048-I1284 HydrophobicContact CB-CD1 3.96Å; L1048-I1284 HydrophobicContact CB-CG1 4.33Å; L1048-I1284 HydrophobicContact CD2-CD1 3.83Å; L1048-I1284 HydrophobicContact CD2-CG1 4.23Å; A1052-I1284 HydrophobicContact CB-CD1 4.15Å; A1052-I1284 HydrophobicContact CB-CG2 4.22Å; L1280-I1284 HydrophobicContact CD1-CD1 3.95Å; L1280-I1284 HydrophobicContact CD1-CG1 4.37Å; L1280-I1284 HydrophobicContact CG-CD1 3.98Å; L1280-I1284 VanDerWaalsContact O-CD1 3.3Å; L1280-I1284 WeakPolarHBondContact O-CD1 3.16Å; L1280-I1284 WeakPolarHBondContact O-CG1 3.39Å; L1280-I1284 PolarHBondContact O-N 2.81Å; L1280-I1284 VanDerWaalsContact O-N 3.16Å; I1281-I1284 PolarHBondContact O-N 3.05Å; I1284-I1287 PolarHBondContact O-N 3.33Å; I1284-Q1288 HydrophobicContact CG2-CG 4.45Å; I1284-Q1288 WeakPolarHBondContact O-CG 3.31Å; I1284-Q1288 PolarHBondContact O-N 2.92Å; I1284-F1303 HydrophobicContact CG1-CD2 4.31Å; I1284-F1303 HydrophobicContact CG1-CE2 4.08Å |
| 1285 | H | 89.1 | Confident | 80.7 | Confident | 69 Ų | 69 | 59.5 Ų | 59.5 | 32% | 0.319 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.4 | -39 | 179.6 | -69.6 | -46.9 | 0 | 0 | 0 | 112.8 | I1281 D1282 I1287 Q1288 S1289 | I1281-H1285 VanDerWaalsContact CG2-CD2 3.5Å; I1281-H1285 WeakPolarHBondContact CG2-CD2 3.39Å; I1281-H1285 VanDerWaalsContact CG2-NE2 3.34Å; I1281-H1285 WeakPolarHBondContact CG2-NE2 3.25Å; I1281-H1285 PolarHBondContact O-CD2 3.47Å; I1281-H1285 PolarHBondContact O-N 3.48Å; D1282-H1285 PolarHBondContact O-N 3.09Å; H1285-I1287 PolarHBondContact O-N 2.91Å; H1285-Q1288 PolarHBondContact ND1-OE1 2.96Å; H1285-Q1288 PolarHBondContact O-N 3.49Å; H1285-S1289 PolarHBondContact O-N 3.39Å |
| 1286 | S | 85.7 | Confident | 82.4 | Confident | 40 Ų | 40 | 60.6 Ų | 60.6 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -55.1 | -42.7 | 173.9 | -66.6 | 0 | 0 | 0 | 0 | 110.8 | D1282 S1289 M1290 | D1282-S1286 WeakPolarHBondContact O-CB 3.2Å; D1282-S1286 PolarHBondContact O-N 3.5Å; D1282-S1286 PolarHBondContact O-OG 2.97Å; S1286-S1289 PolarHBondContact O-N 2.83Å; S1286-S1289 PolarHBondContact O-OG 3.22Å; S1286-M1290 WeakPolarHBondContact O-CG 3.33Å |
| 1287 | I | 89.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -76.1 | -35.8 | 177.8 | -73.8 | 172.5 | 0 | 0 | 0 | 112.9 | W1045 D1283 I1284 H1285 S1289 M1290 F1299 A1302 F1303 L1306 F1361 | W1045-I1287 HydrophobicContact CH2-CB 4.32Å; W1045-I1287 HydrophobicContact CH2-CG2 3.8Å; W1045-I1287 HydrophobicContact CZ2-CG2 4.46Å; W1045-I1287 HydrophobicContact CZ3-CG2 4.29Å; D1283-I1287 PolarHBondContact O-N 2.84Å; D1283-I1287 VanDerWaalsContact O-N 3.16Å; I1284-I1287 PolarHBondContact O-N 3.33Å; H1285-I1287 PolarHBondContact O-N 2.91Å; I1287-S1289 PolarHBondContact O-N 3.33Å; I1287-M1290 WeakPolarHBondContact O-CB 3.48Å; I1287-M1290 PolarHBondContact O-N 3.3Å; I1287-M1290 VanDerWaalsContact O-N 3.15Å; I1287-F1299 HydrophobicContact CG2-CB 4.24Å; I1287-F1299 HydrophobicContact CG2-CD1 3.8Å; I1287-A1302 HydrophobicContact CD1-CB 4.26Å; I1287-A1302 HydrophobicContact CG2-CB 4.05Å; I1287-F1303 HydrophobicContact CD1-CB 3.88Å; I1287-F1303 HydrophobicContact CD1-CD2 4.25Å; I1287-L1306 HydrophobicContact CD1-CB 3.97Å; I1287-L1306 HydrophobicContact CD1-CD2 3.64Å; I1287-L1306 HydrophobicContact CD1-CG 4.46Å; I1287-L1306 HydrophobicContact CG1-CD2 4.02Å; I1287-F1361 HydrophobicContact CD1-CE2 4.21Å; I1287-F1361 HydrophobicContact CG1-CE2 4.31Å; I1287-F1361 HydrophobicContact CG1-CZ 4.42Å |
| 1288 | Q | 88.2 | Confident | 85.8 | Confident | 78 Ų | 78 | 55.8 Ų | 55.8 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.1 | -31 | 170.8 | -74 | 173.4 | -10.8 | 0 | 0 | 112.5 | W1045 I1284 H1285 M1290 | W1045-Q1288 HydrophobicContact CH2-CG 4.21Å; W1045-Q1288 HydrophobicContact CZ2-CG 3.7Å; I1284-Q1288 HydrophobicContact CG2-CG 4.45Å; I1284-Q1288 WeakPolarHBondContact O-CG 3.31Å; I1284-Q1288 PolarHBondContact O-N 2.92Å; H1285-Q1288 PolarHBondContact ND1-OE1 2.96Å; H1285-Q1288 PolarHBondContact O-N 3.49Å; Q1288-M1290 PolarHBondContact O-N 3.46Å |
| 1289 | S | 84.7 | Confident | 87 | Confident | 84 Ų | 84 | 54.8 Ų | 54.8 | 59% | 0.587 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -13.9 | 177.8 | 84.7 | 0 | 0 | 0 | 0 | 114.2 | H1285 S1286 I1287 K1291 | H1285-S1289 PolarHBondContact O-N 3.39Å; S1286-S1289 PolarHBondContact O-N 2.83Å; S1286-S1289 PolarHBondContact O-OG 3.22Å; I1287-S1289 PolarHBondContact O-N 3.33Å; S1289-K1291 PolarHBondContact O-N 3.33Å; S1289-K1291 VanDerWaalsContact O-N 3.13Å |
| 1290 | M | 82.2 | Confident | 87.8 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 9% | 0.094 | 28% | 0.282 | C | S | . | . | trans | -78.6 | 100.5 | -171 | -63.7 | -162.5 | 170.4 | 0 | 0 | 113.2 | S1286 I1287 Q1288 T1292 V1293 F1361 I1365 V1452 | S1286-M1290 WeakPolarHBondContact O-CG 3.33Å; I1287-M1290 WeakPolarHBondContact O-CB 3.48Å; I1287-M1290 PolarHBondContact O-N 3.3Å; I1287-M1290 VanDerWaalsContact O-N 3.15Å; Q1288-M1290 PolarHBondContact O-N 3.46Å; M1290-T1292 PolarHBondContact O-N 2.54Å; M1290-V1293 PolarHBondContact O-N 2.87Å; M1290-F1361 HydrophobicContact CE-CE1 4.18Å; M1290-F1361 HydrophobicContact CE-CZ 3.56Å; M1290-F1361 HydrophobicContact SD-CE2 4.48Å; M1290-F1361 HydrophobicContact SD-CZ 3.99Å; M1290-I1365 HydrophobicContact CE-CD1 4.09Å; M1290-I1365 HydrophobicContact SD-CG2 4.26Å; M1290-V1452 HydrophobicContact CE-CG1 3.93Å | ||
| 1291 | K | 79.8 | Confident | 88 | Confident | 189 Ų | 189 | 57 Ų | 57 | 82% | 0.822 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -19.9 | 177.5 | -60.4 | 178.2 | -177.8 | 174.8 | 0 | 115.3 | S1289 | S1289-K1291 PolarHBondContact O-N 3.33Å; S1289-K1291 VanDerWaalsContact O-N 3.13Å |
| 1292 | T | 80.6 | Confident | 88.3 | Confident | 78 Ų | 78 | 55.9 Ų | 55.9 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -29.2 | 178.5 | 44.2 | 0 | 0 | 0 | 0 | 113.1 | M1290 T1368 | M1290-T1292 PolarHBondContact O-N 2.54Å; T1292-T1368 HydrophobicContact CG2-CG2 3.71Å |
| 1293 | V | 82.8 | Confident | 88.7 | Confident | 23 Ų | 23 | 51.6 Ų | 51.6 | 14% | 0.139 | 27% | 0.266 | C | S | . | . | trans | -101.9 | 133.3 | -177.5 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | M1290 F1299 | M1290-V1293 PolarHBondContact O-N 2.87Å; V1293-F1299 HydrophobicContact CB-CD1 3.79Å; V1293-F1299 HydrophobicContact CB-CE1 3.65Å; V1293-F1299 HydrophobicContact CB-CZ 4.37Å; V1293-F1299 HydrophobicContact CG1-CB 4.4Å; V1293-F1299 HydrophobicContact CG1-CD1 3.39Å; V1293-F1299 HydrophobicContact CG1-CD2 4.35Å; V1293-F1299 HydrophobicContact CG1-CE1 3.66Å; V1293-F1299 HydrophobicContact CG1-CG 3.77Å; V1293-F1299 HydrophobicContact CG1-CZ 4.24Å; V1293-F1299 WeakPolarHBondContact O-CE1 3.48Å; V1293-F1299 WeakPolarHBondContact O-CZ 3.31Å | ||
| 1294 | K | 86.4 | Confident | 89 | Confident | 178 Ų | 178 | 51.4 Ų | 51.4 | 77% | 0.774 | 27% | 0.265 | S | S | * | . | trans | -136.3 | 9.8 | -170.9 | -62.3 | -174.7 | 179.6 | 178.8 | 0 | 114.9 | ||||
| 1295 | T | 91.6 | Very high | 89.2 | Confident | 71 Ų | 71 | 52.3 Ų | 52.3 | 44% | 0.436 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -140.1 | 144.8 | -178.2 | 67 | 0 | 0 | 0 | 0 | 110.5 | I1297 G1298 F1299 | T1295-I1297 PolarHBondContact O-N 3.49Å; T1295-G1298 CarbonylContact O-C 3.55Å; T1295-G1298 VanDerWaalsContact O-CA 3.3Å; T1295-G1298 WeakPolarHBondContact O-CA 3.35Å; T1295-G1298 PolarHBondContact O-N 3.07Å; T1295-G1298 PolarHBondContact OG1-N 3Å; T1295-F1299 WeakPolarHBondContact O-CD2 3.46Å; T1295-F1299 PolarHBondContact O-N 3.41Å |
| 1296 | D | 89.9 | Confident | 89.3 | Confident | 47 Ų | 47 | 49 Ų | 49 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -53.1 | -40.9 | -179 | -34.4 | -29.6 | 0 | 0 | 0 | 112.4 | G1040 K1041 S1042 W1045 F1299 A1300 | G1040-D1296 WeakPolarHBondContact CA-OD2 3.25Å; K1041-D1296 PolarHBondContact N-OD2 2.85Å; S1042-D1296 VanDerWaalsContact CB-C 3.5Å; S1042-D1296 WeakPolarHBondContact CB-O 3.45Å; W1045-D1296 HydrophobicContact CB-CB 4.35Å; W1045-D1296 HydrophobicContact CG-CB 4.47Å; D1296-F1299 PolarHBondContact O-N 3.16Å; D1296-A1300 PolarHBondContact O-N 3.03Å |
| 1297 | I | 90.9 | Very high | 89.6 | Confident | 64 Ų | 64 | 47.2 Ų | 47.2 | 33% | 0.328 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.5 | -37.9 | 176.7 | -62.2 | 170.2 | 0 | 0 | 0 | 110.7 | K1041 T1295 R1301 | K1041-I1297 HydrophobicContact CB-CD1 3.94Å; K1041-I1297 HydrophobicContact CB-CG1 4.09Å; T1295-I1297 PolarHBondContact O-N 3.49Å; I1297-R1301 VanDerWaalsContact O-CB 3.26Å; I1297-R1301 WeakPolarHBondContact O-CB 3.18Å; I1297-R1301 VanDerWaalsContact O-CG 3.25Å; I1297-R1301 WeakPolarHBondContact O-CG 3.02Å; I1297-R1301 PolarHBondContact O-N 3.48Å |
| 1298 | G | 91.2 | Very high | 89.7 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 21% | 0.206 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.2 | -42.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1295 R1301 A1302 | T1295-G1298 CarbonylContact O-C 3.55Å; T1295-G1298 VanDerWaalsContact O-CA 3.3Å; T1295-G1298 WeakPolarHBondContact O-CA 3.35Å; T1295-G1298 PolarHBondContact O-N 3.07Å; T1295-G1298 PolarHBondContact OG1-N 3Å; G1298-R1301 CarbonylContact O-C 3.54Å; G1298-R1301 PolarHBondContact O-N 2.87Å; G1298-A1302 WeakPolarHBondContact O-CB 3.34Å; G1298-A1302 PolarHBondContact O-N 3.23Å |
| 1299 | F | 94.2 | Very high | 89.8 | Confident | 32 Ų | 32 | 43.9 Ų | 43.9 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.1 | -42.6 | 178.2 | -66.1 | -62.2 | 0 | 0 | 0 | 111.8 | W1045 I1287 V1293 T1295 D1296 A1302 F1303 | W1045-F1299 HydrophobicContact CD2-CB 3.52Å; W1045-F1299 AromaticContact CE2-CG 3.89Å; W1045-F1299 HydrophobicContact CE3-CB 3.93Å; W1045-F1299 HydrophobicContact CG-CB 4.02Å; W1045-F1299 HydrophobicContact CH2-CB 4.01Å; W1045-F1299 HydrophobicContact CZ2-CB 3.58Å; W1045-F1299 HydrophobicContact CZ2-CD1 4.37Å; W1045-F1299 AromaticContact CZ2-CG 3.96Å; W1045-F1299 HydrophobicContact CZ2-CG 3.96Å; W1045-F1299 HydrophobicContact CZ3-CB 4.17Å; W1045-F1299 AromaticContact NE1-CD2 3.73Å; W1045-F1299 AromaticContact NE1-CG 3.93Å; I1287-F1299 HydrophobicContact CG2-CB 4.24Å; I1287-F1299 HydrophobicContact CG2-CD1 3.8Å; V1293-F1299 HydrophobicContact CB-CD1 3.79Å; V1293-F1299 HydrophobicContact CB-CE1 3.65Å; V1293-F1299 HydrophobicContact CB-CZ 4.37Å; V1293-F1299 HydrophobicContact CG1-CB 4.4Å; V1293-F1299 HydrophobicContact CG1-CD1 3.39Å; V1293-F1299 HydrophobicContact CG1-CD2 4.35Å; V1293-F1299 HydrophobicContact CG1-CE1 3.66Å; V1293-F1299 HydrophobicContact CG1-CG 3.77Å; V1293-F1299 HydrophobicContact CG1-CZ 4.24Å; V1293-F1299 WeakPolarHBondContact O-CE1 3.48Å; V1293-F1299 WeakPolarHBondContact O-CZ 3.31Å; T1295-F1299 WeakPolarHBondContact O-CD2 3.46Å; T1295-F1299 PolarHBondContact O-N 3.41Å; D1296-F1299 PolarHBondContact O-N 3.16Å; F1299-A1302 WeakPolarHBondContact O-CB 3.44Å; F1299-A1302 PolarHBondContact O-N 3.25Å; F1299-F1303 WeakPolarHBondContact O-CB 3.28Å; F1299-F1303 PolarHBondContact O-N 2.84Å |
| 1300 | A | 94.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.5 | -46.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1042 L1044 W1045 D1296 A1302 F1303 V1304 | S1042-A1300 WeakPolarHBondContact OG-CB 3.3Å; L1044-A1300 HydrophobicContact CB-CB 4.41Å; L1044-A1300 HydrophobicContact CD2-CB 4.3Å; L1044-A1300 HydrophobicContact CG-CB 4.47Å; W1045-A1300 HydrophobicContact CB-CB 4.18Å; D1296-A1300 PolarHBondContact O-N 3.03Å; A1300-A1302 VanDerWaalsContact C-N 3.25Å; A1300-A1302 PolarHBondContact O-N 2.84Å; A1300-F1303 PolarHBondContact O-N 3.45Å; A1300-V1304 WeakPolarHBondContact O-CG2 3.39Å; A1300-V1304 PolarHBondContact O-N 3.25Å |
| 1301 | R | 94 | Very high | 90.3 | Very high | 81 Ų | 81 | 43.1 Ų | 43.1 | 31% | 0.306 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.8 | -23.6 | 178 | -77.6 | 176.9 | 168.8 | -159.7 | -2.6 | 113.6 | S1021 C1024 D1025 I1297 G1298 R1305 | S1021-R1301 PolarHBondContact OG-NH2 3.37Å; C1024-R1301 HydrophobicContact CB-CG 3.73Å; D1025-R1301 IonicContact OD1-CZ 2.67Å; D1025-R1301 IonicContact OD1-NE 2.76Å; D1025-R1301 PolarHBondContact OD1-NE 3.04Å; D1025-R1301 IonicContact OD1-NH2 3.96Å; D1025-R1301 PolarHBondContact OD1-NH2 2.94Å; D1025-R1301 IonicContact OD2-NH2 2.61Å; D1025-R1301 PolarHBondContact OD2-NH2 2.87Å; I1297-R1301 VanDerWaalsContact O-CB 3.26Å; I1297-R1301 WeakPolarHBondContact O-CB 3.18Å; I1297-R1301 VanDerWaalsContact O-CG 3.25Å; I1297-R1301 WeakPolarHBondContact O-CG 3.02Å; I1297-R1301 PolarHBondContact O-N 3.48Å; G1298-R1301 CarbonylContact O-C 3.54Å; G1298-R1301 PolarHBondContact O-N 2.87Å; R1301-R1305 WeakPolarHBondContact O-CD 3.4Å; R1301-R1305 VanDerWaalsContact O-CG 3.23Å; R1301-R1305 WeakPolarHBondContact O-CG 3.34Å; R1301-R1305 PolarHBondContact O-NH1 2.64Å; R1301-R1305 VanDerWaalsContact O-NH1 3.13Å |
| 1302 | A | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -77.4 | -43.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1287 G1298 F1299 A1300 R1305 L1306 F1361 M1364 | I1287-A1302 HydrophobicContact CD1-CB 4.26Å; I1287-A1302 HydrophobicContact CG2-CB 4.05Å; G1298-A1302 WeakPolarHBondContact O-CB 3.34Å; G1298-A1302 PolarHBondContact O-N 3.23Å; F1299-A1302 WeakPolarHBondContact O-CB 3.44Å; F1299-A1302 PolarHBondContact O-N 3.25Å; A1300-A1302 VanDerWaalsContact C-N 3.25Å; A1300-A1302 PolarHBondContact O-N 2.84Å; A1302-R1305 WeakPolarHBondContact O-CB 3.37Å; A1302-R1305 PolarHBondContact O-N 3.46Å; A1302-L1306 PolarHBondContact O-N 3.09Å; A1302-F1361 HydrophobicContact CB-CE2 4.36Å; A1302-F1361 WeakPolarHBondContact O-CD2 3.26Å; A1302-M1364 HydrophobicContact CB-CE 3.73Å |
| 1303 | F | 95.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.8 | -46.9 | -179.9 | 177.9 | -93.9 | 0 | 0 | 0 | 112.2 | W1045 L1048 L1280 D1283 I1284 I1287 F1299 A1300 R1305 L1306 A1307 H1316 | W1045-F1303 HydrophobicContact CZ3-CB 4.07Å; W1045-F1303 HydrophobicContact CZ3-CG 4.47Å; L1048-F1303 HydrophobicContact CD1-CD1 3.57Å; L1048-F1303 HydrophobicContact CD1-CD2 4.49Å; L1048-F1303 HydrophobicContact CD1-CE1 3.86Å; L1048-F1303 HydrophobicContact CD1-CG 3.93Å; L1048-F1303 HydrophobicContact CD1-CZ 4.44Å; L1048-F1303 HydrophobicContact CD2-CD1 4.37Å; L1048-F1303 HydrophobicContact CD2-CE1 3.83Å; L1048-F1303 HydrophobicContact CD2-CE2 4.29Å; L1048-F1303 HydrophobicContact CD2-CZ 3.79Å; L1280-F1303 HydrophobicContact CD1-CE2 3.81Å; L1280-F1303 HydrophobicContact CD1-CZ 3.47Å; L1280-F1303 VanDerWaalsContact CD1-CZ 3.47Å; D1283-F1303 HydrophobicContact CB-CE2 4.27Å; I1284-F1303 HydrophobicContact CG1-CD2 4.31Å; I1284-F1303 HydrophobicContact CG1-CE2 4.08Å; I1287-F1303 HydrophobicContact CD1-CB 3.88Å; I1287-F1303 HydrophobicContact CD1-CD2 4.25Å; F1299-F1303 WeakPolarHBondContact O-CB 3.28Å; F1299-F1303 PolarHBondContact O-N 2.84Å; A1300-F1303 PolarHBondContact O-N 3.45Å; F1303-R1305 PolarHBondContact O-N 3.04Å; F1303-L1306 PolarHBondContact O-N 2.34Å; F1303-A1307 VanDerWaalsContact O-CB 3.23Å; F1303-A1307 WeakPolarHBondContact O-CB 2.84Å; F1303-A1307 PolarHBondContact O-N 3.31Å; F1303-H1316 HydrophobicContact CZ-CB 4.04Å |
| 1304 | V | 95 | Very high | 91.8 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.7 | -35.5 | 175.9 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | L1023 L1027 L1044 A1300 L1308 L1313 | L1023-V1304 HydrophobicContact CD2-CG1 4.37Å; L1027-V1304 HydrophobicContact CD1-CB 4.41Å; L1027-V1304 HydrophobicContact CD1-CG1 3.81Å; L1027-V1304 HydrophobicContact CD1-CG2 3.61Å; L1044-V1304 HydrophobicContact CD2-CG2 3.76Å; A1300-V1304 WeakPolarHBondContact O-CG2 3.39Å; A1300-V1304 PolarHBondContact O-N 3.25Å; V1304-L1308 HydrophobicContact CG1-CD1 4.34Å; V1304-L1308 WeakPolarHBondContact O-CB 3.29Å; V1304-L1308 PolarHBondContact O-N 3.04Å; V1304-L1313 HydrophobicContact CG1-CD1 4.28Å; V1304-L1313 HydrophobicContact CG1-CD2 4.25Å; V1304-L1313 HydrophobicContact CG2-CD1 4.44Å |
| 1305 | R | 93.9 | Very high | 92 | Very high | 19 Ų | 19 | 24.3 Ų | 24.3 | 7% | 0.072 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.3 | -47.1 | 175.1 | -77.7 | 176.1 | 166.6 | 67.3 | 4.7 | 112.5 | N1017 V1020 R1301 A1302 F1303 A1307 L1308 E1309 S1360 F1361 M1364 | N1017-R1305 PolarHBondContact OD1-NH2 3.05Å; V1020-R1305 HydrophobicContact CG1-CG 3.76Å; R1301-R1305 WeakPolarHBondContact O-CD 3.4Å; R1301-R1305 VanDerWaalsContact O-CG 3.23Å; R1301-R1305 WeakPolarHBondContact O-CG 3.34Å; R1301-R1305 PolarHBondContact O-NH1 2.64Å; R1301-R1305 VanDerWaalsContact O-NH1 3.13Å; A1302-R1305 WeakPolarHBondContact O-CB 3.37Å; A1302-R1305 PolarHBondContact O-N 3.46Å; F1303-R1305 PolarHBondContact O-N 3.04Å; R1305-A1307 VanDerWaalsContact C-N 3.34Å; R1305-L1308 WeakPolarHBondContact O-CB 3.27Å; R1305-L1308 PolarHBondContact O-N 3.48Å; R1305-E1309 WeakPolarHBondContact O-CB 3.35Å; R1305-E1309 PolarHBondContact O-N 2.9Å; R1305-S1360 WeakPolarHBondContact CD-O 3.44Å; R1305-S1360 WeakPolarHBondContact CG-OG 3.4Å; R1305-F1361 HydrophobicContact CB-CB 3.88Å; R1305-F1361 HydrophobicContact CB-CD2 4.02Å; R1305-F1361 HydrophobicContact CB-CG 4.47Å; R1305-M1364 VanDerWaalsContact CD-SD 3.57Å |
| 1306 | L | 92.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.2 | -45.7 | 178.2 | -179.6 | 55.4 | 0 | 0 | 0 | 111 | D1283 I1287 A1302 F1303 L1308 E1309 K1310 F1361 V1452 | D1283-L1306 HydrophobicContact CB-CD2 4.15Å; D1283-L1306 WeakPolarHBondContact OD1-CD2 3.46Å; I1287-L1306 HydrophobicContact CD1-CB 3.97Å; I1287-L1306 HydrophobicContact CD1-CD2 3.64Å; I1287-L1306 HydrophobicContact CD1-CG 4.46Å; I1287-L1306 HydrophobicContact CG1-CD2 4.02Å; A1302-L1306 PolarHBondContact O-N 3.09Å; F1303-L1306 PolarHBondContact O-N 2.34Å; L1306-L1308 VanDerWaalsContact C-N 3.31Å; L1306-L1308 PolarHBondContact O-N 2.86Å; L1306-E1309 PolarHBondContact O-N 3.43Å; L1306-K1310 HydrophobicContact CD1-CD 3.72Å; L1306-K1310 HydrophobicContact CD1-CG 3.96Å; L1306-K1310 HydrophobicContact CG-CD 3.92Å; L1306-K1310 HydrophobicContact CG-CG 4.46Å; L1306-K1310 WeakPolarHBondContact O-CB 3.31Å; L1306-K1310 WeakPolarHBondContact O-CG 3.38Å; L1306-K1310 PolarHBondContact O-N 3.35Å; L1306-F1361 HydrophobicContact CB-CD1 4.46Å; L1306-F1361 HydrophobicContact CB-CD2 3.69Å; L1306-F1361 HydrophobicContact CB-CE1 4.46Å; L1306-F1361 HydrophobicContact CB-CE2 3.7Å; L1306-F1361 HydrophobicContact CB-CG 4.06Å; L1306-F1361 HydrophobicContact CB-CZ 4.07Å; L1306-F1361 HydrophobicContact CD1-CD1 3.82Å; L1306-F1361 HydrophobicContact CD1-CE1 3.69Å; L1306-F1361 HydrophobicContact CD1-CE2 4.44Å; L1306-F1361 HydrophobicContact CD1-CG 4.21Å; L1306-F1361 HydrophobicContact CD1-CZ 4Å; L1306-F1361 HydrophobicContact CD2-CE2 4.43Å; L1306-F1361 HydrophobicContact CD2-CZ 4.1Å; L1306-F1361 HydrophobicContact CG-CE1 4.46Å; L1306-F1361 HydrophobicContact CG-CE2 4.42Å; L1306-F1361 HydrophobicContact CG-CZ 4.29Å; L1306-V1452 WeakPolarHBondContact CD1-O 3.22Å |
| 1307 | A | 92.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.008 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.5 | -28.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1303 R1305 K1311 L1312 L1313 | F1303-A1307 VanDerWaalsContact O-CB 3.23Å; F1303-A1307 WeakPolarHBondContact O-CB 2.84Å; F1303-A1307 PolarHBondContact O-N 3.31Å; R1305-A1307 VanDerWaalsContact C-N 3.34Å; A1307-K1311 PolarHBondContact O-N 2.74Å; A1307-L1312 CarbonylContact O-C 3.6Å; A1307-L1312 PolarHBondContact O-N 2.8Å; A1307-L1313 HydrophobicContact CB-CB 4.03Å; A1307-L1313 HydrophobicContact CB-CD1 3.94Å; A1307-L1313 PolarHBondContact O-N 3.48Å |
| 1308 | L | 91.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -69.3 | -48.5 | 168.5 | -97.5 | 163 | 0 | 0 | 0 | 111.8 | M992 V1020 L1023 V1304 R1305 L1306 K1311 L1313 L1353 Y1358 | M992-L1308 HydrophobicContact CE-CD1 4.47Å; V1020-L1308 HydrophobicContact CG1-CD1 4.06Å; V1020-L1308 HydrophobicContact CG2-CD1 4.14Å; L1023-L1308 HydrophobicContact CD2-CD1 3.99Å; V1304-L1308 HydrophobicContact CG1-CD1 4.34Å; V1304-L1308 WeakPolarHBondContact O-CB 3.29Å; V1304-L1308 PolarHBondContact O-N 3.04Å; R1305-L1308 WeakPolarHBondContact O-CB 3.27Å; R1305-L1308 PolarHBondContact O-N 3.48Å; L1306-L1308 VanDerWaalsContact C-N 3.31Å; L1306-L1308 PolarHBondContact O-N 2.86Å; L1308-K1311 PolarHBondContact O-N 3.5Å; L1308-L1313 HydrophobicContact CG-CD2 4.08Å; L1308-L1353 HydrophobicContact CD2-CB 3.99Å; L1308-L1353 HydrophobicContact CD2-CD1 4.21Å; L1308-Y1358 HydrophobicContact CB-CG 4.46Å; L1308-Y1358 HydrophobicContact CD2-CD1 4.45Å; L1308-Y1358 HydrophobicContact CD2-CD2 3.71Å; L1308-Y1358 HydrophobicContact CD2-CE2 3.79Å; L1308-Y1358 HydrophobicContact CD2-CG 4.06Å |
| 1309 | E | 89.7 | Confident | 92.4 | Very high | 8 Ų | 8 | 20.8 Ų | 20.8 | 4% | 0.037 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | -177.7 | -175.5 | 146.1 | 167.3 | 0 | 0 | 111.8 | R1305 L1306 K1311 Y1358 F1359 S1360 F1361 T1362 H1455 | R1305-E1309 WeakPolarHBondContact O-CB 3.35Å; R1305-E1309 PolarHBondContact O-N 2.9Å; L1306-E1309 PolarHBondContact O-N 3.43Å; E1309-K1311 VanDerWaalsContact C-N 3.27Å; E1309-K1311 PolarHBondContact O-N 3.06Å; E1309-Y1358 WeakPolarHBondContact CA-O 3.46Å; E1309-Y1358 VanDerWaalsContact CB-O 3.31Å; E1309-Y1358 WeakPolarHBondContact CB-O 3.25Å; E1309-Y1358 VanDerWaalsContact CD-O 3.3Å; E1309-Y1358 WeakPolarHBondContact CG-O 3.32Å; E1309-F1359 VanDerWaalsContact OE2-CA 3.23Å; E1309-F1359 WeakPolarHBondContact OE2-CA 3.43Å; E1309-S1360 PolarHBondContact OE2-N 3.19Å; E1309-F1361 HydrophobicContact CB-CB 4.23Å; E1309-F1361 VanDerWaalsContact OE2-CA 3.32Å; E1309-F1361 WeakPolarHBondContact OE2-CA 3.47Å; E1309-F1361 WeakPolarHBondContact OE2-CB 3.03Å; E1309-F1361 PolarHBondContact OE2-N 3.25Å; E1309-T1362 WeakPolarHBondContact OE1-CB 3.39Å; E1309-T1362 PolarHBondContact OE1-N 3.12Å; E1309-T1362 PolarHBondContact OE1-OG1 2.93Å; E1309-T1362 PolarHBondContact OE2-N 2.96Å; E1309-H1455 IonicContact OE1-CE1 3.63Å; E1309-H1455 PolarHBondContact OE1-CE1 2.98Å; E1309-H1455 IonicContact OE1-NE2 2.69Å |
| 1310 | K | 87.7 | Confident | 92.4 | Very high | 39 Ų | 39 | 19.3 Ų | 19.3 | 17% | 0.17 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -8.2 | 171.7 | -65.9 | 178.5 | 75 | -177.5 | 0 | 114.4 | D1283 L1306 L1312 | D1283-K1310 IonicContact OD1-NZ 2.71Å; D1283-K1310 PolarHBondContact OD1-NZ 3.37Å; D1283-K1310 IonicContact OD2-NZ 3.5Å; D1283-K1310 PolarHBondContact OD2-NZ 3Å; L1306-K1310 HydrophobicContact CD1-CD 3.72Å; L1306-K1310 HydrophobicContact CD1-CG 3.96Å; L1306-K1310 HydrophobicContact CG-CD 3.92Å; L1306-K1310 HydrophobicContact CG-CG 4.46Å; L1306-K1310 WeakPolarHBondContact O-CB 3.31Å; L1306-K1310 WeakPolarHBondContact O-CG 3.38Å; L1306-K1310 PolarHBondContact O-N 3.35Å; K1310-L1312 HydrophobicContact CB-CD1 3.85Å; K1310-L1312 HydrophobicContact CB-CG 4.04Å; K1310-L1312 HydrophobicContact CD-CD1 4.37Å |
| 1311 | K | 89.2 | Confident | 92.3 | Very high | 48 Ų | 48 | 19.4 Ų | 19.4 | 21% | 0.209 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 39.4 | -174 | -56.9 | -174.1 | 173.9 | -153.1 | 0 | 114.5 | A1307 L1308 E1309 N1354 V1356 D1357 | A1307-K1311 PolarHBondContact O-N 2.74Å; L1308-K1311 PolarHBondContact O-N 3.5Å; E1309-K1311 VanDerWaalsContact C-N 3.27Å; E1309-K1311 PolarHBondContact O-N 3.06Å; K1311-N1354 VanDerWaalsContact C-OD1 3.29Å; K1311-N1354 WeakPolarHBondContact CA-OD1 3.45Å; K1311-N1354 HydrophobicContact CB-CB 4.22Å; K1311-N1354 WeakPolarHBondContact CD-O 3.47Å; K1311-N1354 WeakPolarHBondContact CE-O 3.26Å; K1311-N1354 PolarHBondContact NZ-O 3.24Å; K1311-N1354 VanDerWaalsContact O-CG 3.28Å; K1311-N1354 PolarHBondContact O-ND2 2.98Å; K1311-N1354 PolarHBondContact O-OD1 2.96Å; K1311-V1356 WeakPolarHBondContact CE-O 3.29Å; K1311-V1356 PolarHBondContact NZ-O 3.01Å; K1311-D1357 WeakPolarHBondContact CE-OD1 3.3Å; K1311-D1357 IonicContact NZ-OD1 3.26Å; K1311-D1357 PolarHBondContact NZ-OD1 3.47Å |
| 1312 | L | 89.6 | Confident | 92.1 | Very high | 9 Ų | 9 | 20.3 Ų | 20.3 | 5% | 0.047 | 10% | 0.102 | C | C | . | . | trans | -120.6 | 0.5 | -176.9 | -61.7 | 173.3 | 0 | 0 | 0 | 114.1 | H1278 A1307 K1310 S1314 S1315 H1316 | H1278-L1312 HydrophobicContact CB-CD1 3.77Å; H1278-L1312 HydrophobicContact CB-CD2 4.45Å; A1307-L1312 CarbonylContact O-C 3.6Å; A1307-L1312 PolarHBondContact O-N 2.8Å; K1310-L1312 HydrophobicContact CB-CD1 3.85Å; K1310-L1312 HydrophobicContact CB-CG 4.04Å; K1310-L1312 HydrophobicContact CD-CD1 4.37Å; L1312-S1314 PolarHBondContact O-N 3.28Å; L1312-S1315 PolarHBondContact O-N 2.98Å; L1312-S1315 VanDerWaalsContact O-N 3.13Å; L1312-H1316 WeakPolarHBondContact CB-CD2 3.44Å; L1312-H1316 VanDerWaalsContact CB-NE2 3.29Å; L1312-H1316 WeakPolarHBondContact CB-NE2 3.32Å; L1312-H1316 WeakPolarHBondContact CD1-NE2 3.21Å; L1312-H1316 WeakPolarHBondContact O-CB 3.45Å; L1312-H1316 PolarHBondContact O-CD2 2.92Å; L1312-H1316 VanDerWaalsContact O-CD2 3.29Å; L1312-H1316 PolarHBondContact O-N 2.97Å | ||
| 1313 | L | 93.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -53.1 | -47 | -173 | -178.4 | 64.4 | 0 | 0 | 0 | 113.6 | L1023 V1304 A1307 L1308 L1317 L1350 L1353 | L1023-L1313 HydrophobicContact CD2-CD2 4Å; V1304-L1313 HydrophobicContact CG1-CD1 4.28Å; V1304-L1313 HydrophobicContact CG1-CD2 4.25Å; V1304-L1313 HydrophobicContact CG2-CD1 4.44Å; A1307-L1313 HydrophobicContact CB-CB 4.03Å; A1307-L1313 HydrophobicContact CB-CD1 3.94Å; A1307-L1313 PolarHBondContact O-N 3.48Å; L1308-L1313 HydrophobicContact CG-CD2 4.08Å; L1313-L1317 HydrophobicContact CD1-CD1 3.86Å; L1313-L1317 HydrophobicContact CD1-CG 4.26Å; L1313-L1317 HydrophobicContact CG-CD1 4.2Å; L1313-L1317 WeakPolarHBondContact O-CB 3.33Å; L1313-L1317 VanDerWaalsContact O-CG 3.26Å; L1313-L1317 WeakPolarHBondContact O-CG 3.22Å; L1313-L1317 PolarHBondContact O-N 3.42Å; L1313-L1350 HydrophobicContact CD2-CD1 4.49Å; L1313-L1350 HydrophobicContact CD2-CD2 4.38Å; L1313-L1350 HydrophobicContact CG-CD1 4.45Å; L1313-L1353 HydrophobicContact CD2-CD1 4.23Å |
| 1314 | S | 92.7 | Very high | 91.5 | Very high | 8 Ų | 8 | 24.2 Ų | 24.2 | 6% | 0.056 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.2 | -54.7 | 175.1 | -178.6 | 0 | 0 | 0 | 0 | 111 | L1312 H1316 L1317 T1318 L1347 | L1312-S1314 PolarHBondContact O-N 3.28Å; S1314-H1316 PolarHBondContact O-N 3.45Å; S1314-L1317 PolarHBondContact O-N 2.78Å; S1314-T1318 PolarHBondContact O-N 3.04Å; S1314-T1318 PolarHBondContact O-OG1 3.17Å; S1314-T1318 VanDerWaalsContact O-OG1 3.05Å; S1314-L1347 PolarHBondContact OG-O 3.41Å |
| 1315 | S | 90 | Very high | 91.1 | Very high | 55 Ų | 55 | 31.5 Ų | 31.5 | 39% | 0.385 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -53.4 | -45.8 | -179.5 | -176.2 | 0 | 0 | 0 | 0 | 113.9 | L1312 T1318 R1319 | L1312-S1315 PolarHBondContact O-N 2.98Å; L1312-S1315 VanDerWaalsContact O-N 3.13Å; S1315-T1318 PolarHBondContact O-N 2.95Å; S1315-R1319 WeakPolarHBondContact O-CB 3.1Å; S1315-R1319 PolarHBondContact O-N 3.4Å |
| 1316 | H | 93.6 | Very high | 91 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 2% | 0.023 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 176 | -77.1 | -51.8 | 0 | 0 | 0 | 112.6 | L1280 D1283 F1303 L1312 S1314 R1319 L1320 | L1280-H1316 HydrophobicContact CD1-CB 3.97Å; D1283-H1316 IonicContact OD2-CE1 3.92Å; D1283-H1316 PolarHBondContact OD2-CE1 3.34Å; D1283-H1316 IonicContact OD2-NE2 2.86Å; D1283-H1316 PolarHBondContact OD2-NE2 2.97Å; F1303-H1316 HydrophobicContact CZ-CB 4.04Å; L1312-H1316 WeakPolarHBondContact CB-CD2 3.44Å; L1312-H1316 VanDerWaalsContact CB-NE2 3.29Å; L1312-H1316 WeakPolarHBondContact CB-NE2 3.32Å; L1312-H1316 WeakPolarHBondContact CD1-NE2 3.21Å; L1312-H1316 WeakPolarHBondContact O-CB 3.45Å; L1312-H1316 PolarHBondContact O-CD2 2.92Å; L1312-H1316 VanDerWaalsContact O-CD2 3.29Å; L1312-H1316 PolarHBondContact O-N 2.97Å; S1314-H1316 PolarHBondContact O-N 3.45Å; H1316-R1319 PolarHBondContact O-N 2.93Å; H1316-L1320 WeakPolarHBondContact O-CB 3.08Å; H1316-L1320 PolarHBondContact O-N 3.27Å |
| 1317 | L | 94.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72.5 | -37.9 | 179.5 | -66.6 | 178.4 | 0 | 0 | 0 | 111.5 | L1027 W1031 L1044 L1313 S1314 R1319 L1320 L1321 F1346 L1347 L1350 | L1027-L1317 HydrophobicContact CD2-CD1 4.19Å; W1031-L1317 HydrophobicContact CH2-CB 4.35Å; W1031-L1317 HydrophobicContact CH2-CD1 4.11Å; W1031-L1317 HydrophobicContact CH2-CD2 3.8Å; W1031-L1317 HydrophobicContact CH2-CG 4.3Å; W1031-L1317 HydrophobicContact CZ2-CD2 3.83Å; L1044-L1317 HydrophobicContact CD1-CD2 4.06Å; L1313-L1317 HydrophobicContact CD1-CD1 3.86Å; L1313-L1317 HydrophobicContact CD1-CG 4.26Å; L1313-L1317 HydrophobicContact CG-CD1 4.2Å; L1313-L1317 WeakPolarHBondContact O-CB 3.33Å; L1313-L1317 VanDerWaalsContact O-CG 3.26Å; L1313-L1317 WeakPolarHBondContact O-CG 3.22Å; L1313-L1317 PolarHBondContact O-N 3.42Å; S1314-L1317 PolarHBondContact O-N 2.78Å; L1317-R1319 VanDerWaalsContact C-N 3.32Å; L1317-R1319 PolarHBondContact O-N 3.34Å; L1317-L1320 HydrophobicContact CD2-CD2 4.27Å; L1317-L1320 PolarHBondContact O-N 2.96Å; L1317-L1321 WeakPolarHBondContact O-CB 3.34Å; L1317-L1321 WeakPolarHBondContact O-CD1 3.48Å; L1317-L1321 WeakPolarHBondContact O-CG 3.45Å; L1317-L1321 PolarHBondContact O-N 2.99Å; L1317-F1346 HydrophobicContact CD1-CZ 4.32Å; L1317-L1347 HydrophobicContact CB-CD2 3.79Å; L1317-L1350 HydrophobicContact CD1-CD1 3.61Å |
| 1318 | T | 93.4 | Very high | 90.7 | Very high | 52 Ų | 52 | 38.9 Ų | 38.9 | 32% | 0.319 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -54.1 | -50.2 | 168.1 | -54.3 | 0 | 0 | 0 | 0 | 110.1 | S1314 S1315 L1320 L1321 M1322 L1347 | S1314-T1318 PolarHBondContact O-N 3.04Å; S1314-T1318 PolarHBondContact O-OG1 3.17Å; S1314-T1318 VanDerWaalsContact O-OG1 3.05Å; S1315-T1318 PolarHBondContact O-N 2.95Å; T1318-L1320 VanDerWaalsContact C-N 3.35Å; T1318-L1320 PolarHBondContact O-N 3.5Å; T1318-L1321 PolarHBondContact O-N 3.03Å; T1318-L1321 VanDerWaalsContact O-N 3.1Å; T1318-M1322 WeakPolarHBondContact O-CG 3.37Å; T1318-M1322 PolarHBondContact O-N 3.25Å; T1318-L1347 HydrophobicContact CG2-CD1 4.41Å |
| 1319 | R | 90.7 | Very high | 90.6 | Very high | 70 Ų | 70 | 46.7 Ų | 46.7 | 26% | 0.264 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65 | -34.5 | -178.4 | -159.1 | 141.9 | -58.4 | -177.3 | 5.9 | 114.1 | Y1051 S1078 L1280 S1315 H1316 L1317 | Y1051-R1319 WeakPolarHBondContact CE2-O 3.27Å; Y1051-R1319 PolarHBondContact OH-O 3.12Å; S1078-R1319 PolarHBondContact OG-NH1 3.44Å; L1280-R1319 HydrophobicContact CD2-CB 4.31Å; S1315-R1319 WeakPolarHBondContact O-CB 3.1Å; S1315-R1319 PolarHBondContact O-N 3.4Å; H1316-R1319 PolarHBondContact O-N 2.93Å; L1317-R1319 VanDerWaalsContact C-N 3.32Å; L1317-R1319 PolarHBondContact O-N 3.34Å |
| 1320 | L | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.6 | -41.4 | 172.1 | 179.1 | 63.2 | 0 | 0 | 0 | 111.5 | W1031 L1044 L1048 Y1051 L1280 H1316 L1317 T1318 | W1031-L1320 HydrophobicContact CZ2-CD2 4.03Å; L1044-L1320 HydrophobicContact CD1-CD2 4.47Å; L1048-L1320 HydrophobicContact CD2-CD1 4.35Å; L1048-L1320 HydrophobicContact CD2-CD2 3.8Å; L1048-L1320 HydrophobicContact CG-CD2 4.02Å; Y1051-L1320 VanDerWaalsContact CB-CD1 3.42Å; Y1051-L1320 HydrophobicContact CD1-CD1 4.36Å; Y1051-L1320 HydrophobicContact CD2-CD1 3.83Å; Y1051-L1320 HydrophobicContact CG-CD1 3.63Å; L1280-L1320 HydrophobicContact CD2-CB 4.21Å; H1316-L1320 WeakPolarHBondContact O-CB 3.08Å; H1316-L1320 PolarHBondContact O-N 3.27Å; L1317-L1320 HydrophobicContact CD2-CD2 4.27Å; L1317-L1320 PolarHBondContact O-N 2.96Å; T1318-L1320 VanDerWaalsContact C-N 3.35Å; T1318-L1320 PolarHBondContact O-N 3.5Å |
| 1321 | L | 92.4 | Very high | 90.9 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -80.9 | -19.1 | -174.8 | -65.5 | 169.3 | 0 | 0 | 0 | 113.7 | W1031 L1317 T1318 D1323 L1327 L1337 R1343 L1347 | W1031-L1321 HydrophobicContact CH2-CD1 4.12Å; W1031-L1321 HydrophobicContact CZ2-CD1 4.24Å; W1031-L1321 HydrophobicContact CZ2-CD2 3.99Å; W1031-L1321 HydrophobicContact CZ2-CG 4.24Å; L1317-L1321 WeakPolarHBondContact O-CB 3.34Å; L1317-L1321 WeakPolarHBondContact O-CD1 3.48Å; L1317-L1321 WeakPolarHBondContact O-CG 3.45Å; L1317-L1321 PolarHBondContact O-N 2.99Å; T1318-L1321 PolarHBondContact O-N 3.03Å; T1318-L1321 VanDerWaalsContact O-N 3.1Å; L1321-D1323 PolarHBondContact O-N 3.29Å; L1321-L1327 HydrophobicContact CD2-CD1 3.72Å; L1321-L1337 HydrophobicContact CD1-CD2 4.18Å; L1321-L1337 HydrophobicContact CD2-CB 4.1Å; L1321-L1337 HydrophobicContact CD2-CD1 4.09Å; L1321-L1337 HydrophobicContact CD2-CD2 3.9Å; L1321-L1337 HydrophobicContact CD2-CG 4.26Å; L1321-R1343 HydrophobicContact CD1-CG 4.05Å; L1321-L1347 HydrophobicContact CD1-CD1 4.28Å; L1321-L1347 HydrophobicContact CD1-CD2 4.37Å |
| 1322 | M | 88.7 | Confident | 90.9 | Very high | 100 Ų | 100 | 44.1 Ų | 44.1 | 49% | 0.493 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.2 | 173.7 | -75.8 | 178.2 | 80.9 | 0 | 0 | 114.2 | P1079 T1318 T1324 | P1079-M1322 HydrophobicContact CB-CE 3.91Å; P1079-M1322 HydrophobicContact CG-CE 3.87Å; P1079-M1322 HydrophobicContact CG-SD 4.01Å; T1318-M1322 WeakPolarHBondContact O-CG 3.37Å; T1318-M1322 PolarHBondContact O-N 3.25Å; M1322-T1324 PolarHBondContact O-N 3.49Å |
| 1323 | D | 88.4 | Confident | 90.7 | Very high | 24 Ų | 24 | 53.9 Ų | 53.9 | 13% | 0.128 | 24% | 0.244 | C | C | . | . | trans | -76.9 | 76.9 | 171.8 | -169.1 | -18.1 | 0 | 0 | 0 | 110.8 | Y1051 R1054 L1321 K1325 L1326 L1327 | Y1051-D1323 HydrophobicContact CD2-CB 4.26Å; Y1051-D1323 HydrophobicContact CE2-CB 4.19Å; R1054-D1323 IonicContact CZ-OD1 3.34Å; R1054-D1323 IonicContact CZ-OD2 3.83Å; R1054-D1323 IonicContact NE-OD1 2.68Å; R1054-D1323 IonicContact NE-OD2 3.15Å; R1054-D1323 PolarHBondContact NE-OD2 3.26Å; R1054-D1323 IonicContact NH2-OD1 3.11Å; R1054-D1323 PolarHBondContact NH2-OD1 3.2Å; R1054-D1323 VanDerWaalsContact NH2-OD1 3.11Å; R1054-D1323 IonicContact NH2-OD2 2.9Å; R1054-D1323 PolarHBondContact NH2-OD2 3.34Å; R1054-D1323 VanDerWaalsContact NH2-OD2 3.11Å; L1321-D1323 PolarHBondContact O-N 3.29Å; D1323-K1325 PolarHBondContact O-N 3.42Å; D1323-K1325 WeakPolarHBondContact OD1-CB 3.27Å; D1323-K1325 PolarHBondContact OD1-N 3.46Å; D1323-K1325 VanDerWaalsContact OD1-N 3.12Å; D1323-L1326 HydrophobicContact CB-CB 4.05Å; D1323-L1326 PolarHBondContact O-N 3.01Å; D1323-L1326 PolarHBondContact OD1-N 2.99Å; D1323-L1327 WeakPolarHBondContact O-CB 3.32Å; D1323-L1327 PolarHBondContact O-N 3.14Å | ||
| 1324 | T | 87.4 | Confident | 90.4 | Very high | 60 Ų | 60 | 58.9 Ų | 58.9 | 37% | 0.368 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57 | -21.8 | 178.6 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | M1322 R1328 | M1322-T1324 PolarHBondContact O-N 3.49Å; T1324-R1328 VanDerWaalsContact O-CB 3.23Å; T1324-R1328 WeakPolarHBondContact O-CB 3.29Å; T1324-R1328 VanDerWaalsContact O-CD 3.28Å; T1324-R1328 WeakPolarHBondContact O-CD 3.4Å; T1324-R1328 WeakPolarHBondContact O-CG 3.4Å; T1324-R1328 PolarHBondContact O-N 3.05Å |
| 1325 | K | 87.7 | Confident | 90.2 | Very high | 154 Ų | 154 | 58.5 Ų | 58.5 | 67% | 0.67 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -75.9 | -45.5 | 175.5 | -64.4 | 171.6 | -179 | 170.3 | 0 | 110.7 | D1323 Y1329 | D1323-K1325 PolarHBondContact O-N 3.42Å; D1323-K1325 WeakPolarHBondContact OD1-CB 3.27Å; D1323-K1325 PolarHBondContact OD1-N 3.46Å; D1323-K1325 VanDerWaalsContact OD1-N 3.12Å; K1325-Y1329 WeakPolarHBondContact O-CB 3.4Å; K1325-Y1329 PolarHBondContact O-N 2.87Å; K1325-Y1329 VanDerWaalsContact O-N 3.16Å |
| 1326 | L | 90.3 | Very high | 90.4 | Very high | 10 Ų | 10 | 55.9 Ų | 55.9 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.5 | -43.2 | 173.7 | -176.9 | 60.5 | 0 | 0 | 0 | 111.3 | L1050 Y1051 D1323 R1328 Y1329 L1330 | L1050-L1326 HydrophobicContact CB-CD1 4.27Å; Y1051-L1326 HydrophobicContact CD2-CD2 4.34Å; D1323-L1326 HydrophobicContact CB-CB 4.05Å; D1323-L1326 PolarHBondContact O-N 3.01Å; D1323-L1326 PolarHBondContact OD1-N 2.99Å; L1326-R1328 PolarHBondContact O-N 3.47Å; L1326-Y1329 WeakPolarHBondContact O-CB 3.49Å; L1326-Y1329 PolarHBondContact O-N 3.04Å; L1326-L1330 HydrophobicContact CD1-CD1 3.94Å; L1326-L1330 HydrophobicContact CD1-CG 4.15Å; L1326-L1330 HydrophobicContact CG-CD1 4.02Å; L1326-L1330 PolarHBondContact O-N 2.96Å |
| 1327 | L | 90.3 | Very high | 90.3 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.5 | -48.4 | 176.5 | -168.6 | 73.6 | 0 | 0 | 0 | 112 | L1321 D1323 Y1329 L1330 Y1331 L1337 R1338 | L1321-L1327 HydrophobicContact CD2-CD1 3.72Å; D1323-L1327 WeakPolarHBondContact O-CB 3.32Å; D1323-L1327 PolarHBondContact O-N 3.14Å; L1327-Y1329 VanDerWaalsContact C-N 3.29Å; L1327-Y1329 PolarHBondContact O-N 2.92Å; L1327-L1330 PolarHBondContact O-N 3.24Å; L1327-Y1331 HydrophobicContact CD1-CD2 4.14Å; L1327-Y1331 WeakPolarHBondContact O-CB 3.26Å; L1327-Y1331 PolarHBondContact O-N 3.32Å; L1327-L1337 HydrophobicContact CD1-CB 3.97Å; L1327-L1337 WeakPolarHBondContact CD2-O 3.29Å; L1327-R1338 HydrophobicContact CD1-CG 4.4Å; L1327-R1338 HydrophobicContact CD2-CG 3.99Å; L1327-R1338 HydrophobicContact CG-CG 3.77Å |
| 1328 | R | 88.3 | Confident | 90.1 | Very high | 159 Ų | 159 | 59 Ų | 59 | 60% | 0.6 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -66.9 | -26.2 | 177.6 | -74.1 | 168.9 | -175.2 | -163.8 | 1.8 | 113.4 | T1324 L1326 | T1324-R1328 VanDerWaalsContact O-CB 3.23Å; T1324-R1328 WeakPolarHBondContact O-CB 3.29Å; T1324-R1328 VanDerWaalsContact O-CD 3.28Å; T1324-R1328 WeakPolarHBondContact O-CD 3.4Å; T1324-R1328 WeakPolarHBondContact O-CG 3.4Å; T1324-R1328 PolarHBondContact O-N 3.05Å; L1326-R1328 PolarHBondContact O-N 3.47Å |
| 1329 | Y | 89.7 | Confident | 89.9 | Confident | 165 Ų | 165 | 57.1 Ų | 57.1 | 65% | 0.647 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -77.2 | -42.3 | 175.5 | 174.3 | -105.3 | 0 | 0 | 0 | 112.3 | N1036 K1325 L1326 L1327 | N1036-Y1329 PolarHBondContact ND2-O 3.32Å; K1325-Y1329 WeakPolarHBondContact O-CB 3.4Å; K1325-Y1329 PolarHBondContact O-N 2.87Å; K1325-Y1329 VanDerWaalsContact O-N 3.16Å; L1326-Y1329 WeakPolarHBondContact O-CB 3.49Å; L1326-Y1329 PolarHBondContact O-N 3.04Å; L1327-Y1329 VanDerWaalsContact C-N 3.29Å; L1327-Y1329 PolarHBondContact O-N 2.92Å |
| 1330 | L | 90 | Very high | 89.7 | Confident | 16 Ų | 16 | 58.9 Ų | 58.9 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -80.6 | -29.1 | -176.6 | -68.4 | 178.8 | 0 | 0 | 0 | 114.2 | L1035 N1036 H1047 L1050 L1326 L1327 | L1035-L1330 HydrophobicContact CD1-CB 4.34Å; N1036-L1330 VanDerWaalsContact CB-O 3.31Å; N1036-L1330 WeakPolarHBondContact CB-O 3.42Å; N1036-L1330 PolarHBondContact N-O 2.79Å; N1036-L1330 PolarHBondContact ND2-O 2.9Å; H1047-L1330 HydrophobicContact CB-CD1 4.31Å; L1050-L1330 HydrophobicContact CD1-CD1 4.2Å; L1050-L1330 HydrophobicContact CD1-CD2 3.84Å; L1326-L1330 HydrophobicContact CD1-CD1 3.94Å; L1326-L1330 HydrophobicContact CD1-CG 4.15Å; L1326-L1330 HydrophobicContact CG-CD1 4.02Å; L1326-L1330 PolarHBondContact O-N 2.96Å; L1327-L1330 PolarHBondContact O-N 3.24Å |
| 1331 | Y | 93.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -124.6 | 143.8 | -166.4 | -67.3 | -81.2 | 0 | 0 | 0 | 114.9 | W1031 H1033 G1034 L1035 N1036 H1047 L1327 A1335 L1337 R1338 | W1031-Y1331 VanDerWaalsContact CD1-OH 3.25Å; W1031-Y1331 VanDerWaalsContact O-CE1 3.23Å; W1031-Y1331 WeakPolarHBondContact O-CE1 3.4Å; W1031-Y1331 PolarHBondContact O-OH 3.31Å; H1033-Y1331 WeakPolarHBondContact O-CD1 3.27Å; G1034-Y1331 WeakPolarHBondContact O-CA 3.23Å; L1035-Y1331 HydrophobicContact CB-CD1 4.33Å; L1035-Y1331 HydrophobicContact CB-CE1 3.99Å; L1035-Y1331 HydrophobicContact CD1-CD1 4.14Å; L1035-Y1331 HydrophobicContact CD1-CE1 3.55Å; L1035-Y1331 HydrophobicContact CD1-CE2 4.22Å; L1035-Y1331 HydrophobicContact CG-CE1 4.37Å; N1036-Y1331 PolarHBondContact ND2-N 2.91Å; H1047-Y1331 AromaticContact CE1-CE2 3.8Å; H1047-Y1331 AromaticContact ND1-CE2 3.62Å; L1327-Y1331 HydrophobicContact CD1-CD2 4.14Å; L1327-Y1331 WeakPolarHBondContact O-CB 3.26Å; L1327-Y1331 PolarHBondContact O-N 3.32Å; Y1331-A1335 HydrophobicContact CD1-CB 3.79Å; Y1331-A1335 HydrophobicContact CG-CB 4.13Å; Y1331-L1337 HydrophobicContact CE1-CD1 4.02Å; Y1331-L1337 HydrophobicContact CE2-CD1 3.93Å; Y1331-R1338 WeakPolarHBondContact O-CD 3.48Å; Y1331-R1338 PolarHBondContact O-NH1 3.04Å |
| 1332 | T | 89 | Confident | 89.2 | Confident | 25 Ų | 25 | 66.2 Ų | 66.2 | 15% | 0.153 | 29% | 0.288 | C | S | . | . | trans | -66.1 | 163.8 | 172.3 | 64.4 | 0 | 0 | 0 | 0 | 111.7 | G1034 N1036 Y1334 A1335 R1338 | G1034-T1332 WeakPolarHBondContact CA-OG1 3.35Å; G1034-T1332 WeakPolarHBondContact O-CG2 3.36Å; G1034-T1332 PolarHBondContact O-N 2.71Å; G1034-T1332 PolarHBondContact O-OG1 2.79Å; N1036-T1332 WeakPolarHBondContact OD1-CG2 3.38Å; N1036-T1332 PolarHBondContact OD1-N 2.97Å; T1332-Y1334 HydrophobicContact CG2-CE1 4.15Å; T1332-Y1334 PolarHBondContact O-N 2.79Å; T1332-Y1334 WeakPolarHBondContact OG1-CD2 3.49Å; T1332-Y1334 WeakPolarHBondContact OG1-CE2 3.47Å; T1332-A1335 WeakPolarHBondContact O-CB 3.33Å; T1332-A1335 PolarHBondContact O-N 3.23Å; T1332-A1335 PolarHBondContact OG1-N 3.07Å; T1332-R1338 WeakPolarHBondContact O-CD 3.42Å | ||
| 1333 | R | 85.9 | Confident | 89.4 | Confident | 213 Ų | 213 | 62.5 Ų | 62.5 | 80% | 0.804 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -2.6 | 179.9 | 67.1 | 164.7 | -79.4 | -171.8 | -5.1 | 116 | ||
| 1334 | Y | 87 | Confident | 89.6 | Confident | 106 Ų | 106 | 66.4 Ų | 66.4 | 42% | 0.416 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | 10.9 | -178.3 | 56.6 | -99.2 | 0 | 0 | 0 | 111.6 | N974 H1033 T1332 | N974-Y1334 HydrophobicContact CB-CD2 3.96Å; N974-Y1334 HydrophobicContact CB-CG 4.39Å; N974-Y1334 WeakPolarHBondContact OD1-CD2 3.26Å; N974-Y1334 VanDerWaalsContact OD1-CE2 3.28Å; N974-Y1334 WeakPolarHBondContact OD1-CE2 3.5Å; H1033-Y1334 PolarHBondContact CE1-O 2.75Å; H1033-Y1334 VanDerWaalsContact CE1-O 3.27Å; T1332-Y1334 HydrophobicContact CG2-CE1 4.15Å; T1332-Y1334 PolarHBondContact O-N 2.79Å; T1332-Y1334 WeakPolarHBondContact OG1-CD2 3.49Å; T1332-Y1334 WeakPolarHBondContact OG1-CE2 3.47Å |
| 1335 | A | 90 | Very high | 89.7 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -67.8 | 142.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | H1033 Y1331 T1332 L1337 R1338 C1339 | H1033-A1335 VanDerWaalsContact O-CB 3.26Å; H1033-A1335 WeakPolarHBondContact O-CB 3.22Å; Y1331-A1335 HydrophobicContact CD1-CB 3.79Å; Y1331-A1335 HydrophobicContact CG-CB 4.13Å; T1332-A1335 WeakPolarHBondContact O-CB 3.33Å; T1332-A1335 PolarHBondContact O-N 3.23Å; T1332-A1335 PolarHBondContact OG1-N 3.07Å; A1335-L1337 PolarHBondContact O-N 2.69Å; A1335-L1337 VanDerWaalsContact O-N 3.16Å; A1335-R1338 HydrophobicContact CB-CB 4.45Å; A1335-R1338 WeakPolarHBondContact O-CA 3.45Å; A1335-R1338 PolarHBondContact O-N 2.81Å; A1335-C1339 PolarHBondContact O-N 3.1Å |
| 1336 | F | 93.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -50 | -46.5 | -179.8 | -174.6 | -74.7 | 0 | 0 | 0 | 112 | V978 L981 L982 I1030 H1033 R1338 C1339 F1346 | V978-F1336 HydrophobicContact CB-CD2 4.22Å; V978-F1336 HydrophobicContact CG1-CD2 3.8Å; V978-F1336 HydrophobicContact CG1-CE2 4.08Å; V978-F1336 HydrophobicContact CG2-CB 4.26Å; V978-F1336 HydrophobicContact CG2-CD2 4.2Å; V978-F1336 WeakPolarHBondContact O-CE2 3.25Å; L981-F1336 HydrophobicContact CB-CD2 3.76Å; L981-F1336 HydrophobicContact CB-CE2 3.7Å; L981-F1336 HydrophobicContact CD1-CD2 4Å; L982-F1336 HydrophobicContact CB-CE2 4.03Å; L982-F1336 HydrophobicContact CB-CZ 4.21Å; L982-F1336 HydrophobicContact CD1-CZ 4.34Å; I1030-F1336 HydrophobicContact CG2-CB 4.31Å; I1030-F1336 HydrophobicContact CG2-CD1 3.52Å; I1030-F1336 HydrophobicContact CG2-CE1 4.03Å; I1030-F1336 HydrophobicContact CG2-CG 3.98Å; H1033-F1336 HydrophobicContact CB-CB 4.31Å; H1033-F1336 PolarHBondContact ND1-N 2.99Å; F1336-R1338 PolarHBondContact O-N 2.92Å; F1336-C1339 PolarHBondContact O-N 3.43Å; F1336-F1346 HydrophobicContact CE1-CB 3.76Å; F1336-F1346 HydrophobicContact CE1-CD1 4.29Å; F1336-F1346 HydrophobicContact CE1-CD2 4.3Å; F1336-F1346 AromaticContact CE1-CG 3.87Å; F1336-F1346 HydrophobicContact CE1-CG 3.87Å; F1336-F1346 HydrophobicContact CZ-CB 3.88Å; F1336-F1346 HydrophobicContact CZ-CD2 4.49Å; F1336-F1346 HydrophobicContact CZ-CG 4.27Å |
| 1337 | L | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -67.4 | -6 | -178.6 | -60.3 | 178.5 | 0 | 0 | 0 | 114.7 | I1030 W1031 L1321 L1327 Y1331 A1335 | I1030-L1337 HydrophobicContact CG2-CD2 3.62Å; I1030-L1337 HydrophobicContact CG2-CG 4.16Å; W1031-L1337 HydrophobicContact CD2-CD1 3.66Å; W1031-L1337 HydrophobicContact CD2-CD2 4.27Å; W1031-L1337 HydrophobicContact CE3-CD1 4.2Å; W1031-L1337 HydrophobicContact CE3-CD2 4.01Å; W1031-L1337 HydrophobicContact CG-CD1 3.82Å; W1031-L1337 HydrophobicContact CH2-CD2 3.74Å; W1031-L1337 HydrophobicContact CZ2-CD1 4.11Å; W1031-L1337 HydrophobicContact CZ2-CD2 4.02Å; W1031-L1337 HydrophobicContact CZ3-CD2 3.75Å; L1321-L1337 HydrophobicContact CD1-CD2 4.18Å; L1321-L1337 HydrophobicContact CD2-CB 4.1Å; L1321-L1337 HydrophobicContact CD2-CD1 4.09Å; L1321-L1337 HydrophobicContact CD2-CD2 3.9Å; L1321-L1337 HydrophobicContact CD2-CG 4.26Å; L1327-L1337 HydrophobicContact CD1-CB 3.97Å; L1327-L1337 WeakPolarHBondContact CD2-O 3.29Å; Y1331-L1337 HydrophobicContact CE1-CD1 4.02Å; Y1331-L1337 HydrophobicContact CE2-CD1 3.93Å; A1335-L1337 PolarHBondContact O-N 2.69Å; A1335-L1337 VanDerWaalsContact O-N 3.16Å |
| 1338 | R | 90.7 | Very high | 90.3 | Very high | 73 Ų | 73 | 64.4 Ų | 64.4 | 28% | 0.275 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -115.7 | -6.7 | -179.7 | -78.9 | -167.1 | 58.8 | -180 | -0.7 | 114.2 | L1327 Y1331 T1332 A1335 F1336 | L1327-R1338 HydrophobicContact CD1-CG 4.4Å; L1327-R1338 HydrophobicContact CD2-CG 3.99Å; L1327-R1338 HydrophobicContact CG-CG 3.77Å; Y1331-R1338 WeakPolarHBondContact O-CD 3.48Å; Y1331-R1338 PolarHBondContact O-NH1 3.04Å; T1332-R1338 WeakPolarHBondContact O-CD 3.42Å; A1335-R1338 HydrophobicContact CB-CB 4.45Å; A1335-R1338 WeakPolarHBondContact O-CA 3.45Å; A1335-R1338 PolarHBondContact O-N 2.81Å; F1336-R1338 PolarHBondContact O-N 2.92Å |
| 1339 | C | 89.6 | Confident | 90.5 | Very high | 12 Ų | 12 | 58.9 Ų | 58.9 | 8% | 0.081 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -82.3 | 121.6 | 160.4 | -47.2 | 0 | 0 | 0 | 0 | 106 | W975 A1335 F1336 E1342 R1343 | W975-C1339 HydrophobicContact CH2-CB 4.12Å; W975-C1339 HydrophobicContact CZ3-CB 4.17Å; A1335-C1339 PolarHBondContact O-N 3.1Å; F1336-C1339 PolarHBondContact O-N 3.43Å; C1339-E1342 WeakPolarHBondContact CB-OE2 3.41Å; C1339-R1343 WeakPolarHBondContact O-CB 3.31Å; C1339-R1343 PolarHBondContact O-N 3.48Å |
| 1340 | E | 86.6 | Confident | 90.7 | Very high | 107 Ų | 107 | 51 Ų | 51 | 50% | 0.5 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -82.2 | -35.7 | -159.1 | -57.5 | -143.3 | 85.4 | 0 | 0 | 112.6 | R1343 E1344 | E1340-R1343 WeakPolarHBondContact O-CB 3.4Å; E1340-R1343 IonicContact OE1-CZ 3.11Å; E1340-R1343 VanDerWaalsContact OE1-CZ 3.22Å; E1340-R1343 IonicContact OE1-NH1 3.4Å; E1340-R1343 PolarHBondContact OE1-NH1 3.29Å; E1340-R1343 IonicContact OE1-NH2 3.77Å; E1340-R1343 PolarHBondContact OE1-NH2 2.98Å; E1340-E1344 WeakPolarHBondContact O-CG 3.48Å; E1340-E1344 PolarHBondContact O-N 2.89Å; E1340-E1344 VanDerWaalsContact O-N 3.11Å |
| 1341 | E | 86.6 | Confident | 90.7 | Very high | 131 Ų | 131 | 54.8 Ų | 54.8 | 61% | 0.612 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -75.6 | -44 | -177.3 | -172.3 | 169 | 169.5 | 0 | 0 | 112 | R1343 E1344 Q1345 | E1341-R1343 VanDerWaalsContact C-N 3.3Å; E1341-R1343 PolarHBondContact O-N 3.36Å; E1341-E1344 PolarHBondContact O-N 2.93Å; E1341-E1344 VanDerWaalsContact O-N 3.1Å; E1341-Q1345 WeakPolarHBondContact O-CG 3.5Å; E1341-Q1345 PolarHBondContact O-N 3.13Å |
| 1342 | E | 89.5 | Confident | 90.5 | Very high | 28 Ų | 28 | 57.4 Ų | 57.4 | 13% | 0.131 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.3 | -32.4 | 178.1 | -54 | 75.9 | -168.1 | 0 | 0 | 110.9 | W975 V978 L982 C1339 F1346 | W975-E1342 WeakPolarHBondContact CZ3-OE1 3.34Å; V978-E1342 HydrophobicContact CG1-CB 3.95Å; V978-E1342 HydrophobicContact CG1-CG 3.83Å; L982-E1342 HydrophobicContact CD2-CB 4.06Å; L982-E1342 HydrophobicContact CD2-CG 4.25Å; C1339-E1342 WeakPolarHBondContact CB-OE2 3.41Å; E1342-F1346 WeakPolarHBondContact O-CB 3.3Å; E1342-F1346 PolarHBondContact O-N 3.09Å |
| 1343 | R | 92.8 | Very high | 90.5 | Very high | 23 Ų | 23 | 56.2 Ų | 56.2 | 9% | 0.087 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 168.6 | 172.1 | -165.3 | 71.4 | -159.2 | 3.4 | 111.4 | L1321 C1339 E1340 E1341 F1346 L1347 | L1321-R1343 HydrophobicContact CD1-CG 4.05Å; C1339-R1343 WeakPolarHBondContact O-CB 3.31Å; C1339-R1343 PolarHBondContact O-N 3.48Å; E1340-R1343 WeakPolarHBondContact O-CB 3.4Å; E1340-R1343 IonicContact OE1-CZ 3.11Å; E1340-R1343 VanDerWaalsContact OE1-CZ 3.22Å; E1340-R1343 IonicContact OE1-NH1 3.4Å; E1340-R1343 PolarHBondContact OE1-NH1 3.29Å; E1340-R1343 IonicContact OE1-NH2 3.77Å; E1340-R1343 PolarHBondContact OE1-NH2 2.98Å; E1341-R1343 VanDerWaalsContact C-N 3.3Å; E1341-R1343 PolarHBondContact O-N 3.36Å; R1343-F1346 WeakPolarHBondContact O-CB 3.47Å; R1343-F1346 PolarHBondContact O-N 3.37Å; R1343-L1347 HydrophobicContact CG-CD1 4.25Å; R1343-L1347 VanDerWaalsContact O-CG 3.3Å; R1343-L1347 WeakPolarHBondContact O-CG 3.49Å; R1343-L1347 PolarHBondContact O-N 2.92Å |
| 1344 | E | 90.8 | Very high | 90.6 | Very high | 105 Ų | 105 | 48.1 Ų | 48.1 | 49% | 0.491 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -72.6 | -44.6 | -179.2 | -79.3 | 161.2 | -146.2 | 0 | 0 | 111.4 | E1340 E1341 F1346 L1347 V1348 | E1340-E1344 WeakPolarHBondContact O-CG 3.48Å; E1340-E1344 PolarHBondContact O-N 2.89Å; E1340-E1344 VanDerWaalsContact O-N 3.11Å; E1341-E1344 PolarHBondContact O-N 2.93Å; E1341-E1344 VanDerWaalsContact O-N 3.1Å; E1344-F1346 VanDerWaalsContact C-N 3.28Å; E1344-F1346 PolarHBondContact O-N 2.9Å; E1344-L1347 PolarHBondContact O-N 3.23Å; E1344-L1347 VanDerWaalsContact O-N 3.11Å; E1344-V1348 WeakPolarHBondContact O-CG2 3.41Å; E1344-V1348 PolarHBondContact O-N 3.28Å |
| 1345 | Q | 90.4 | Very high | 90.2 | Very high | 83 Ų | 83 | 46.3 Ų | 46.3 | 39% | 0.388 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.7 | -41 | 169.6 | -67.7 | -170.1 | 37.9 | 0 | 0 | 112 | L982 E1341 V1348 H1349 | L982-Q1345 HydrophobicContact CD1-CB 3.97Å; L982-Q1345 HydrophobicContact CD2-CB 4.2Å; E1341-Q1345 WeakPolarHBondContact O-CG 3.5Å; E1341-Q1345 PolarHBondContact O-N 3.13Å; Q1345-V1348 PolarHBondContact O-N 3.48Å; Q1345-H1349 PolarHBondContact O-N 2.94Å; Q1345-H1349 PolarHBondContact O-ND1 3.47Å |
| 1346 | F | 95.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.4 | -45 | 173.9 | 156.8 | -99.8 | 0 | 0 | 0 | 112.6 | L982 C985 L1027 I1030 W1031 L1317 F1336 E1342 R1343 E1344 H1349 L1350 | L982-F1346 HydrophobicContact CD1-CB 4.08Å; C985-F1346 HydrophobicContact CB-CD2 4.21Å; C985-F1346 VanDerWaalsContact SG-CD2 3.5Å; L1027-F1346 HydrophobicContact CD2-CE2 3.78Å; L1027-F1346 HydrophobicContact CD2-CZ 3.55Å; I1030-F1346 HydrophobicContact CD1-CD2 3.8Å; I1030-F1346 HydrophobicContact CD1-CE2 3.54Å; I1030-F1346 HydrophobicContact CD1-CZ 4.35Å; W1031-F1346 AromaticContact CH2-CE1 3.98Å; W1031-F1346 HydrophobicContact CH2-CE1 3.98Å; W1031-F1346 HydrophobicContact CH2-CZ 4.14Å; W1031-F1346 AromaticContact CZ3-CE1 3.94Å; W1031-F1346 HydrophobicContact CZ3-CE1 3.94Å; W1031-F1346 AromaticContact CZ3-CZ 3.7Å; W1031-F1346 HydrophobicContact CZ3-CZ 3.7Å; L1317-F1346 HydrophobicContact CD1-CZ 4.32Å; F1336-F1346 HydrophobicContact CE1-CB 3.76Å; F1336-F1346 HydrophobicContact CE1-CD1 4.29Å; F1336-F1346 HydrophobicContact CE1-CD2 4.3Å; F1336-F1346 AromaticContact CE1-CG 3.87Å; F1336-F1346 HydrophobicContact CE1-CG 3.87Å; F1336-F1346 HydrophobicContact CZ-CB 3.88Å; F1336-F1346 HydrophobicContact CZ-CD2 4.49Å; F1336-F1346 HydrophobicContact CZ-CG 4.27Å; E1342-F1346 WeakPolarHBondContact O-CB 3.3Å; E1342-F1346 PolarHBondContact O-N 3.09Å; R1343-F1346 WeakPolarHBondContact O-CB 3.47Å; R1343-F1346 PolarHBondContact O-N 3.37Å; E1344-F1346 VanDerWaalsContact C-N 3.28Å; E1344-F1346 PolarHBondContact O-N 2.9Å; F1346-H1349 PolarHBondContact O-N 3.39Å; F1346-L1350 HydrophobicContact CD2-CD1 4.47Å; F1346-L1350 HydrophobicContact CE1-CD1 3.99Å; F1346-L1350 HydrophobicContact CE2-CD1 3.68Å; F1346-L1350 HydrophobicContact CE2-CG 4.09Å; F1346-L1350 HydrophobicContact CZ-CD1 3.39Å; F1346-L1350 HydrophobicContact CZ-CG 4.26Å; F1346-L1350 PolarHBondContact O-N 3.04Å; F1346-L1350 VanDerWaalsContact O-N 3.09Å |
| 1347 | L | 94.7 | Very high | 88.9 | Confident | 14 Ų | 14 | 47.1 Ų | 47.1 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.2 | -35.5 | 178.9 | -70.5 | 166.1 | 0 | 0 | 0 | 112.4 | S1314 L1317 T1318 L1321 R1343 E1344 L1350 L1351 | S1314-L1347 PolarHBondContact OG-O 3.41Å; L1317-L1347 HydrophobicContact CB-CD2 3.79Å; T1318-L1347 HydrophobicContact CG2-CD1 4.41Å; L1321-L1347 HydrophobicContact CD1-CD1 4.28Å; L1321-L1347 HydrophobicContact CD1-CD2 4.37Å; R1343-L1347 HydrophobicContact CG-CD1 4.25Å; R1343-L1347 VanDerWaalsContact O-CG 3.3Å; R1343-L1347 WeakPolarHBondContact O-CG 3.49Å; R1343-L1347 PolarHBondContact O-N 2.92Å; E1344-L1347 PolarHBondContact O-N 3.23Å; E1344-L1347 VanDerWaalsContact O-N 3.11Å; L1347-L1350 PolarHBondContact O-N 3.22Å; L1347-L1351 PolarHBondContact O-N 2.89Å |
| 1348 | V | 91 | Very high | 88.5 | Confident | 92 Ų | 92 | 47.4 Ų | 47.4 | 56% | 0.558 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -64.8 | -44.7 | 173.1 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | E1344 Q1345 L1350 L1351 S1352 | E1344-V1348 WeakPolarHBondContact O-CG2 3.41Å; E1344-V1348 PolarHBondContact O-N 3.28Å; Q1345-V1348 PolarHBondContact O-N 3.48Å; V1348-L1350 VanDerWaalsContact C-N 3.26Å; V1348-L1350 PolarHBondContact O-N 2.94Å; V1348-L1351 VanDerWaalsContact O-CB 3.31Å; V1348-L1351 WeakPolarHBondContact O-CB 3.41Å; V1348-L1351 PolarHBondContact O-N 3.12Å; V1348-S1352 PolarHBondContact O-N 2.98Å; V1348-S1352 PolarHBondContact O-OG 3.47Å |
| 1349 | H | 92.1 | Very high | 88.2 | Confident | 42 Ų | 42 | 44.3 Ų | 44.3 | 19% | 0.194 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.1 | -29.3 | 175.6 | -73.6 | 95.9 | 0 | 0 | 0 | 113.1 | K986 A989 Q1345 F1346 S1352 | K986-H1349 VanDerWaalsContact CG-NE2 3.34Å; K986-H1349 WeakPolarHBondContact CG-NE2 3.41Å; A989-H1349 HydrophobicContact CB-CB 4.35Å; A989-H1349 VanDerWaalsContact CB-O 3.24Å; A989-H1349 WeakPolarHBondContact CB-O 3.42Å; Q1345-H1349 PolarHBondContact O-N 2.94Å; Q1345-H1349 PolarHBondContact O-ND1 3.47Å; F1346-H1349 PolarHBondContact O-N 3.39Å; H1349-S1352 PolarHBondContact O-OG 2.98Å |
| 1350 | L | 93.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -75.7 | -27.6 | 170.8 | -67.8 | -173.8 | 0 | 0 | 0 | 113.2 | L1023 L1027 L1313 L1317 F1346 L1347 V1348 S1352 L1353 | L1023-L1350 HydrophobicContact CD1-CD2 4.04Å; L1027-L1350 HydrophobicContact CD2-CD1 4.25Å; L1313-L1350 HydrophobicContact CD2-CD1 4.49Å; L1313-L1350 HydrophobicContact CD2-CD2 4.38Å; L1313-L1350 HydrophobicContact CG-CD1 4.45Å; L1317-L1350 HydrophobicContact CD1-CD1 3.61Å; F1346-L1350 HydrophobicContact CD2-CD1 4.47Å; F1346-L1350 HydrophobicContact CE1-CD1 3.99Å; F1346-L1350 HydrophobicContact CE2-CD1 3.68Å; F1346-L1350 HydrophobicContact CE2-CG 4.09Å; F1346-L1350 HydrophobicContact CZ-CD1 3.39Å; F1346-L1350 HydrophobicContact CZ-CG 4.26Å; F1346-L1350 PolarHBondContact O-N 3.04Å; F1346-L1350 VanDerWaalsContact O-N 3.09Å; L1347-L1350 PolarHBondContact O-N 3.22Å; V1348-L1350 VanDerWaalsContact C-N 3.26Å; V1348-L1350 PolarHBondContact O-N 2.94Å; L1350-S1352 VanDerWaalsContact C-N 3.26Å; L1350-S1352 PolarHBondContact O-N 2.83Å; L1350-L1353 HydrophobicContact CD2-CD1 3.73Å; L1350-L1353 WeakPolarHBondContact O-CB 3.4Å; L1350-L1353 PolarHBondContact O-N 3.22Å |
| 1351 | L | 90.6 | Very high | 88 | Confident | 95 Ų | 95 | 38.6 Ų | 38.6 | 50% | 0.497 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.4 | -34.3 | 175.8 | -173.1 | 64.2 | 0 | 0 | 0 | 111.1 | L1347 V1348 L1353 N1354 | L1347-L1351 PolarHBondContact O-N 2.89Å; V1348-L1351 VanDerWaalsContact O-CB 3.31Å; V1348-L1351 WeakPolarHBondContact O-CB 3.41Å; V1348-L1351 PolarHBondContact O-N 3.12Å; L1351-L1353 PolarHBondContact O-N 2.86Å; L1351-L1353 VanDerWaalsContact O-N 3.07Å; L1351-N1354 WeakPolarHBondContact O-CB 3.34Å; L1351-N1354 PolarHBondContact O-N 3.16Å |
| 1352 | S | 89.2 | Confident | 88 | Confident | 56 Ų | 56 | 32.4 Ų | 32.4 | 39% | 0.392 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -55.2 | -25.9 | 174.9 | -42.7 | 0 | 0 | 0 | 0 | 113.8 | V993 V1348 H1349 L1350 N1354 A1355 | V993-S1352 WeakPolarHBondContact CG2-O 3.26Å; V1348-S1352 PolarHBondContact O-N 2.98Å; V1348-S1352 PolarHBondContact O-OG 3.47Å; H1349-S1352 PolarHBondContact O-OG 2.98Å; L1350-S1352 VanDerWaalsContact C-N 3.26Å; L1350-S1352 PolarHBondContact O-N 2.83Å; S1352-N1354 PolarHBondContact O-N 3.4Å; S1352-A1355 WeakPolarHBondContact O-CB 3.46Å; S1352-A1355 PolarHBondContact O-N 2.79Å |
| 1353 | L | 89.5 | Confident | 87.7 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -67.4 | -24.4 | 178.9 | -62.9 | 168 | 0 | 0 | 0 | 112.5 | A989 M992 V993 L1023 L1308 L1313 L1350 L1351 A1355 V1356 Y1358 | A989-L1353 HydrophobicContact CB-CD2 4.48Å; M992-L1353 HydrophobicContact CB-CD2 3.79Å; M992-L1353 HydrophobicContact CE-CD2 4.13Å; M992-L1353 HydrophobicContact SD-CD2 4.28Å; V993-L1353 HydrophobicContact CG2-CD2 4.22Å; L1023-L1353 HydrophobicContact CD2-CD1 3.89Å; L1308-L1353 HydrophobicContact CD2-CB 3.99Å; L1308-L1353 HydrophobicContact CD2-CD1 4.21Å; L1313-L1353 HydrophobicContact CD2-CD1 4.23Å; L1350-L1353 HydrophobicContact CD2-CD1 3.73Å; L1350-L1353 WeakPolarHBondContact O-CB 3.4Å; L1350-L1353 PolarHBondContact O-N 3.22Å; L1351-L1353 PolarHBondContact O-N 2.86Å; L1351-L1353 VanDerWaalsContact O-N 3.07Å; L1353-A1355 PolarHBondContact O-N 3Å; L1353-V1356 PolarHBondContact O-N 3.4Å; L1353-Y1358 WeakPolarHBondContact O-CE2 3.37Å |
| 1354 | N | 87.7 | Confident | 87.3 | Confident | 42 Ų | 42 | 35.7 Ų | 35.7 | 23% | 0.225 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -65.1 | -19.1 | 179.4 | -74.6 | 2.7 | 0 | 0 | 0 | 113.5 | K1311 L1351 S1352 V1356 | K1311-N1354 VanDerWaalsContact C-OD1 3.29Å; K1311-N1354 WeakPolarHBondContact CA-OD1 3.45Å; K1311-N1354 HydrophobicContact CB-CB 4.22Å; K1311-N1354 WeakPolarHBondContact CD-O 3.47Å; K1311-N1354 WeakPolarHBondContact CE-O 3.26Å; K1311-N1354 PolarHBondContact NZ-O 3.24Å; K1311-N1354 VanDerWaalsContact O-CG 3.28Å; K1311-N1354 PolarHBondContact O-ND2 2.98Å; K1311-N1354 PolarHBondContact O-OD1 2.96Å; L1351-N1354 WeakPolarHBondContact O-CB 3.34Å; L1351-N1354 PolarHBondContact O-N 3.16Å; S1352-N1354 PolarHBondContact O-N 3.4Å; N1354-V1356 PolarHBondContact O-N 3.44Å; N1354-V1356 VanDerWaalsContact O-N 3.15Å |
| 1355 | A | 79.5 | Confident | 87 | Confident | 69 Ų | 69 | 30.9 Ų | 30.9 | 57% | 0.57 | 17% | 0.172 | S | C | * | . | G | 310 helix | trans | -58.4 | -26.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1352 L1353 | S1352-A1355 WeakPolarHBondContact O-CB 3.46Å; S1352-A1355 PolarHBondContact O-N 2.79Å; L1353-A1355 PolarHBondContact O-N 3Å |
| 1356 | V | 77.4 | Confident | 86.5 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -118.5 | 153.5 | -172.4 | -155.6 | 0 | 0 | 0 | 0 | 111.3 | V993 K996 I997 E1000 K1311 L1353 N1354 Y1358 | V993-V1356 HydrophobicContact CG1-CG2 4.36Å; K996-V1356 HydrophobicContact CB-CG1 3.84Å; K996-V1356 HydrophobicContact CD-CG1 3.82Å; K996-V1356 HydrophobicContact CG-CG1 3.62Å; I997-V1356 HydrophobicContact CD1-CG2 4.42Å; I997-V1356 HydrophobicContact CG1-CG2 3.83Å; E1000-V1356 VanDerWaalsContact OE1-CG1 3.24Å; E1000-V1356 WeakPolarHBondContact OE1-CG1 3.39Å; K1311-V1356 WeakPolarHBondContact CE-O 3.29Å; K1311-V1356 PolarHBondContact NZ-O 3.01Å; L1353-V1356 PolarHBondContact O-N 3.4Å; N1354-V1356 PolarHBondContact O-N 3.44Å; N1354-V1356 VanDerWaalsContact O-N 3.15Å; V1356-Y1358 HydrophobicContact CB-CE2 4.12Å |
| 1357 | D | 76.8 | Confident | 85.8 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 9% | 0.086 | 20% | 0.199 | C | C | . | . | trans | -87.7 | 132.8 | 177.4 | -70.8 | 6.6 | 0 | 0 | 0 | 111.1 | K996 K1311 F1359 R1484 | K996-D1357 WeakPolarHBondContact CE-O 3.05Å; K1311-D1357 WeakPolarHBondContact CE-OD1 3.3Å; K1311-D1357 IonicContact NZ-OD1 3.26Å; K1311-D1357 PolarHBondContact NZ-OD1 3.47Å; D1357-F1359 HydrophobicContact CB-CE2 3.81Å; D1357-F1359 HydrophobicContact CB-CZ 3.73Å; D1357-R1484 VanDerWaalsContact CG-CZ 3.49Å; D1357-R1484 IonicContact OD1-CZ 3.69Å; D1357-R1484 IonicContact OD1-NE 2.7Å; D1357-R1484 PolarHBondContact OD1-NE 3.39Å; D1357-R1484 IonicContact OD1-NH1 2.8Å; D1357-R1484 IonicContact OD1-NH2 3.94Å; D1357-R1484 PolarHBondContact OD1-NH2 3.14Å; D1357-R1484 IonicContact OD2-CZ 3.48Å; D1357-R1484 IonicContact OD2-NE 2.68Å; D1357-R1484 PolarHBondContact OD2-NE 3.47Å; D1357-R1484 IonicContact OD2-NH2 3.7Å; D1357-R1484 PolarHBondContact OD2-NH2 3.26Å | ||
| 1358 | Y | 85 | Confident | 85.3 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 2% | 0.024 | 20% | 0.201 | C | C | . | . | trans | -118.5 | 131.2 | 176.4 | -69.2 | -93.5 | 0 | 0 | 0 | 110.1 | M992 K996 E1016 V1020 L1308 E1309 L1353 V1356 | M992-Y1358 HydrophobicContact CE-CE1 3.76Å; K996-Y1358 HydrophobicContact CD-CD1 4.17Å; K996-Y1358 HydrophobicContact CD-CE1 3.9Å; E1016-Y1358 HydrophobicContact CG-CD1 4.39Å; V1020-Y1358 HydrophobicContact CG2-CD1 4.23Å; V1020-Y1358 HydrophobicContact CG2-CE1 4.38Å; L1308-Y1358 HydrophobicContact CB-CG 4.46Å; L1308-Y1358 HydrophobicContact CD2-CD1 4.45Å; L1308-Y1358 HydrophobicContact CD2-CD2 3.71Å; L1308-Y1358 HydrophobicContact CD2-CE2 3.79Å; L1308-Y1358 HydrophobicContact CD2-CG 4.06Å; E1309-Y1358 WeakPolarHBondContact CA-O 3.46Å; E1309-Y1358 VanDerWaalsContact CB-O 3.31Å; E1309-Y1358 WeakPolarHBondContact CB-O 3.25Å; E1309-Y1358 VanDerWaalsContact CD-O 3.3Å; E1309-Y1358 WeakPolarHBondContact CG-O 3.32Å; L1353-Y1358 WeakPolarHBondContact O-CE2 3.37Å; V1356-Y1358 HydrophobicContact CB-CE2 4.12Å | ||
| 1359 | F | 84.1 | Confident | 85 | Confident | 7 Ų | 7 | 37.7 Ų | 37.7 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | trans | -112.6 | 19.5 | 178.4 | -57.4 | -67.5 | 0 | 0 | 0 | 112.2 | E1309 D1357 F1361 R1363 L1424 H1455 T1560 | E1309-F1359 VanDerWaalsContact OE2-CA 3.23Å; E1309-F1359 WeakPolarHBondContact OE2-CA 3.43Å; D1357-F1359 HydrophobicContact CB-CE2 3.81Å; D1357-F1359 HydrophobicContact CB-CZ 3.73Å; F1359-F1361 VanDerWaalsContact C-N 3.3Å; F1359-F1361 PolarHBondContact O-N 2.97Å; F1359-R1363 WeakPolarHBondContact O-CB 3.37Å; F1359-R1363 WeakPolarHBondContact O-CD 3.29Å; F1359-R1363 WeakPolarHBondContact O-CG 3.22Å; F1359-R1363 PolarHBondContact O-N 3.37Å; F1359-L1424 HydrophobicContact CD1-CD2 3.67Å; F1359-L1424 HydrophobicContact CE1-CD2 3.68Å; F1359-L1424 HydrophobicContact CG-CD1 4.47Å; F1359-L1424 HydrophobicContact CG-CD2 4.36Å; F1359-L1424 HydrophobicContact CZ-CD2 4.39Å; F1359-H1455 AromaticContact CD1-CE1 3.81Å; F1359-H1455 AromaticContact CE1-CE1 3.73Å; F1359-T1560 HydrophobicContact CE2-CG2 3.68Å; F1359-T1560 HydrophobicContact CZ-CG2 4.24Å | ||
| 1360 | S | 83 | Confident | 84.8 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.8 | -21.9 | -172.2 | 71.1 | 0 | 0 | 0 | 0 | 113.8 | R1305 E1309 M1364 | R1305-S1360 WeakPolarHBondContact CD-O 3.44Å; R1305-S1360 WeakPolarHBondContact CG-OG 3.4Å; E1309-S1360 PolarHBondContact OE2-N 3.19Å; S1360-M1364 VanDerWaalsContact O-CB 3.3Å; S1360-M1364 WeakPolarHBondContact O-CB 3.35Å; S1360-M1364 PolarHBondContact O-N 3.02Å |
| 1361 | F | 89.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -81.8 | -52.8 | 173 | -175.2 | -99.8 | 0 | 0 | 0 | 110.6 | I1287 M1290 A1302 R1305 L1306 E1309 F1359 R1363 M1364 I1365 V1452 T1453 | I1287-F1361 HydrophobicContact CD1-CE2 4.21Å; I1287-F1361 HydrophobicContact CG1-CE2 4.31Å; I1287-F1361 HydrophobicContact CG1-CZ 4.42Å; M1290-F1361 HydrophobicContact CE-CE1 4.18Å; M1290-F1361 HydrophobicContact CE-CZ 3.56Å; M1290-F1361 HydrophobicContact SD-CE2 4.48Å; M1290-F1361 HydrophobicContact SD-CZ 3.99Å; A1302-F1361 HydrophobicContact CB-CE2 4.36Å; A1302-F1361 WeakPolarHBondContact O-CD2 3.26Å; R1305-F1361 HydrophobicContact CB-CB 3.88Å; R1305-F1361 HydrophobicContact CB-CD2 4.02Å; R1305-F1361 HydrophobicContact CB-CG 4.47Å; L1306-F1361 HydrophobicContact CB-CD1 4.46Å; L1306-F1361 HydrophobicContact CB-CD2 3.69Å; L1306-F1361 HydrophobicContact CB-CE1 4.46Å; L1306-F1361 HydrophobicContact CB-CE2 3.7Å; L1306-F1361 HydrophobicContact CB-CG 4.06Å; L1306-F1361 HydrophobicContact CB-CZ 4.07Å; L1306-F1361 HydrophobicContact CD1-CD1 3.82Å; L1306-F1361 HydrophobicContact CD1-CE1 3.69Å; L1306-F1361 HydrophobicContact CD1-CE2 4.44Å; L1306-F1361 HydrophobicContact CD1-CG 4.21Å; L1306-F1361 HydrophobicContact CD1-CZ 4Å; L1306-F1361 HydrophobicContact CD2-CE2 4.43Å; L1306-F1361 HydrophobicContact CD2-CZ 4.1Å; L1306-F1361 HydrophobicContact CG-CE1 4.46Å; L1306-F1361 HydrophobicContact CG-CE2 4.42Å; L1306-F1361 HydrophobicContact CG-CZ 4.29Å; E1309-F1361 HydrophobicContact CB-CB 4.23Å; E1309-F1361 VanDerWaalsContact OE2-CA 3.32Å; E1309-F1361 WeakPolarHBondContact OE2-CA 3.47Å; E1309-F1361 WeakPolarHBondContact OE2-CB 3.03Å; E1309-F1361 PolarHBondContact OE2-N 3.25Å; F1359-F1361 VanDerWaalsContact C-N 3.3Å; F1359-F1361 PolarHBondContact O-N 2.97Å; F1361-R1363 PolarHBondContact O-N 3.21Å; F1361-M1364 HydrophobicContact CD2-CE 3.84Å; F1361-M1364 HydrophobicContact CE2-CE 4.04Å; F1361-M1364 WeakPolarHBondContact O-CB 3.2Å; F1361-M1364 PolarHBondContact O-N 3.44Å; F1361-I1365 HydrophobicContact CD1-CD1 3.88Å; F1361-I1365 HydrophobicContact CD1-CG1 4.37Å; F1361-I1365 HydrophobicContact CE1-CD1 3.36Å; F1361-I1365 HydrophobicContact CE1-CG1 4.27Å; F1361-I1365 HydrophobicContact CE2-CG2 4.49Å; F1361-I1365 HydrophobicContact CZ-CD1 3.94Å; F1361-I1365 HydrophobicContact CZ-CG2 4.49Å; F1361-I1365 PolarHBondContact O-N 2.88Å; F1361-I1365 VanDerWaalsContact O-N 3.08Å; F1361-V1452 HydrophobicContact CE1-CG1 3.79Å; F1361-V1452 HydrophobicContact CZ-CG1 4.21Å; F1361-T1453 HydrophobicContact CD1-CG2 4.04Å; F1361-T1453 HydrophobicContact CE1-CG2 4.4Å |
| 1362 | T | 86.2 | Confident | 84.8 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -52.7 | -44.5 | 176.5 | -75.5 | 0 | 0 | 0 | 0 | 111.4 | E1309 I1365 F1400 N1421 | E1309-T1362 WeakPolarHBondContact OE1-CB 3.39Å; E1309-T1362 PolarHBondContact OE1-N 3.12Å; E1309-T1362 PolarHBondContact OE1-OG1 2.93Å; E1309-T1362 PolarHBondContact OE2-N 2.96Å; T1362-I1365 PolarHBondContact O-N 2.9Å; T1362-F1400 HydrophobicContact CG2-CE2 4.19Å; T1362-N1421 PolarHBondContact O-ND2 2.84Å |
| 1363 | R | 83.7 | Confident | 84.9 | Confident | 48 Ų | 48 | 31.7 Ų | 31.7 | 18% | 0.181 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.8 | -34 | 177.6 | -68.7 | 168.3 | -176.3 | 160.2 | -2 | 113.4 | E1016 F1359 F1361 F1400 | E1016-R1363 VanDerWaalsContact CD-NH1 3.26Å; E1016-R1363 IonicContact OE1-NH1 2.68Å; E1016-R1363 PolarHBondContact OE1-NH1 3.13Å; E1016-R1363 IonicContact OE2-NH1 3.21Å; E1016-R1363 PolarHBondContact OE2-NH1 3.35Å; F1359-R1363 WeakPolarHBondContact O-CB 3.37Å; F1359-R1363 WeakPolarHBondContact O-CD 3.29Å; F1359-R1363 WeakPolarHBondContact O-CG 3.22Å; F1359-R1363 PolarHBondContact O-N 3.37Å; F1361-R1363 PolarHBondContact O-N 3.21Å; R1363-F1400 HydrophobicContact CG-CZ 4.37Å |
| 1364 | M | 84.1 | Confident | 85.1 | Confident | 71 Ų | 71 | 31.7 Ų | 31.7 | 35% | 0.35 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -69.7 | -34.4 | 177.7 | -178.4 | -169.3 | 70.7 | 0 | 0 | 112.3 | A1302 R1305 S1360 F1361 | A1302-M1364 HydrophobicContact CB-CE 3.73Å; R1305-M1364 VanDerWaalsContact CD-SD 3.57Å; S1360-M1364 VanDerWaalsContact O-CB 3.3Å; S1360-M1364 WeakPolarHBondContact O-CB 3.35Å; S1360-M1364 PolarHBondContact O-N 3.02Å; F1361-M1364 HydrophobicContact CD2-CE 3.84Å; F1361-M1364 HydrophobicContact CE2-CE 4.04Å; F1361-M1364 WeakPolarHBondContact O-CB 3.2Å; F1361-M1364 PolarHBondContact O-N 3.44Å |
| 1365 | I | 83.9 | Confident | 85.3 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 33.2 | -174 | 70.6 | 169.6 | 0 | 0 | 0 | 113.8 | M1290 F1361 T1362 Q1367 T1368 I1370 N1421 | M1290-I1365 HydrophobicContact CE-CD1 4.09Å; M1290-I1365 HydrophobicContact SD-CG2 4.26Å; F1361-I1365 HydrophobicContact CD1-CD1 3.88Å; F1361-I1365 HydrophobicContact CD1-CG1 4.37Å; F1361-I1365 HydrophobicContact CE1-CD1 3.36Å; F1361-I1365 HydrophobicContact CE1-CG1 4.27Å; F1361-I1365 HydrophobicContact CE2-CG2 4.49Å; F1361-I1365 HydrophobicContact CZ-CD1 3.94Å; F1361-I1365 HydrophobicContact CZ-CG2 4.49Å; F1361-I1365 PolarHBondContact O-N 2.88Å; F1361-I1365 VanDerWaalsContact O-N 3.08Å; T1362-I1365 PolarHBondContact O-N 2.9Å; I1365-Q1367 PolarHBondContact O-N 3.13Å; I1365-T1368 HydrophobicContact CB-CG2 3.92Å; I1365-T1368 WeakPolarHBondContact CB-OG1 3.28Å; I1365-T1368 HydrophobicContact CG2-CG2 4.44Å; I1365-T1368 PolarHBondContact O-N 3.39Å; I1365-T1368 VanDerWaalsContact O-N 3.11Å; I1365-T1368 PolarHBondContact O-OG1 2.84Å; I1365-I1370 HydrophobicContact CD1-CD1 3.9Å; I1365-I1370 HydrophobicContact CD1-CG1 4.44Å; I1365-I1370 HydrophobicContact CG1-CD1 4.47Å; I1365-N1421 WeakPolarHBondContact O-CB 3.11Å; I1365-N1421 PolarHBondContact O-ND2 3.22Å |
| 1366 | N | 80.4 | Confident | 85.8 | Confident | 58 Ų | 58 | 27.9 Ų | 27.9 | 31% | 0.31 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 3.9 | -177.1 | 74.2 | 6.4 | 0 | 0 | 0 | 116.2 | F1400 R1420 | N1366-F1400 HydrophobicContact CB-CD1 4.36Å; N1366-F1400 HydrophobicContact CB-CD2 3.8Å; N1366-F1400 HydrophobicContact CB-CE1 4.21Å; N1366-F1400 HydrophobicContact CB-CE2 3.63Å; N1366-F1400 HydrophobicContact CB-CG 4.19Å; N1366-F1400 HydrophobicContact CB-CZ 3.87Å; N1366-R1420 VanDerWaalsContact O-CZ 3.31Å; N1366-R1420 PolarHBondContact O-NE 2.82Å; N1366-R1420 PolarHBondContact O-NH2 3.33Å |
| 1367 | Q | 79.9 | Confident | 86.3 | Confident | 141 Ų | 141 | 28.4 Ų | 28.4 | 66% | 0.659 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.9 | -3.3 | 174.8 | -45.9 | -154.9 | -9 | 0 | 0 | 114.2 | I1365 | I1365-Q1367 PolarHBondContact O-N 3.13Š|
| 1368 | T | 83.4 | Confident | 86.5 | Confident | 16 Ų | 16 | 29.3 Ų | 29.3 | 10% | 0.098 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -79.8 | 153.3 | 178.6 | 57.5 | 0 | 0 | 0 | 0 | 111.4 | T1292 I1365 R1420 N1421 | T1292-T1368 HydrophobicContact CG2-CG2 3.71Å; I1365-T1368 HydrophobicContact CB-CG2 3.92Å; I1365-T1368 WeakPolarHBondContact CB-OG1 3.28Å; I1365-T1368 HydrophobicContact CG2-CG2 4.44Å; I1365-T1368 PolarHBondContact O-N 3.39Å; I1365-T1368 VanDerWaalsContact O-N 3.11Å; I1365-T1368 PolarHBondContact O-OG1 2.84Å; T1368-R1420 CarbonylContact O-C 3.52Å; T1368-R1420 WeakPolarHBondContact O-CA 3.47Å; T1368-N1421 PolarHBondContact O-N 3.42Å |
| 1369 | E | 86.3 | Confident | 85.6 | Confident | 117 Ų | 117 | 30.3 Ų | 30.3 | 55% | 0.547 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 139.7 | 158.7 | -67.4 | -178.8 | 127.2 | 0 | 0 | 110 | K1418 N1419 | E1369-K1418 HydrophobicContact CB-CG 4.36Å; E1369-K1418 IonicContact OE1-NZ 2.73Å; E1369-K1418 WeakPolarHBondContact OE2-CE 3.2Å; E1369-K1418 IonicContact OE2-NZ 3.14Å; E1369-K1418 PolarHBondContact OE2-NZ 2.97Å; E1369-N1419 CarbonylContact C-O 3.52Å; E1369-N1419 VanDerWaalsContact CA-O 3.25Å; E1369-N1419 WeakPolarHBondContact CA-O 3.42Å |
| 1370 | I | 87.9 | Confident | 84.2 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.2 | 172 | -67.5 | -174.7 | 0 | 0 | 0 | 107.6 | I1365 Y1372 N1419 N1421 N1450 V1452 | I1365-I1370 HydrophobicContact CD1-CD1 3.9Å; I1365-I1370 HydrophobicContact CD1-CG1 4.44Å; I1365-I1370 HydrophobicContact CG1-CD1 4.47Å; I1370-Y1372 HydrophobicContact CB-CE2 3.86Å; I1370-Y1372 HydrophobicContact CG2-CD2 4.15Å; I1370-Y1372 HydrophobicContact CG2-CE1 4.16Å; I1370-Y1372 HydrophobicContact CG2-CE2 3.74Å; I1370-N1419 PolarHBondContact N-O 3.05Å; I1370-N1419 PolarHBondContact O-N 2.75Å; I1370-N1419 VanDerWaalsContact O-N 3.08Å; I1370-N1419 VanDerWaalsContact O-O 3.11Å; I1370-N1421 HydrophobicContact CD1-CB 3.58Å; I1370-N1421 VanDerWaalsContact CD1-CG 3.49Å; I1370-N1421 HydrophobicContact CG1-CB 4.03Å; I1370-N1450 VanDerWaalsContact CG2-OD1 3.3Å; I1370-N1450 WeakPolarHBondContact CG2-OD1 3.44Å; I1370-V1452 HydrophobicContact CG2-CG2 4.33Å |
| 1371 | I | 89.6 | Confident | 82.5 | Confident | 48 Ų | 48 | 46 Ų | 46 | 25% | 0.246 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 126.3 | 171.9 | -62.2 | 170.2 | 0 | 0 | 0 | 108.1 | E1416 I1417 K1418 R1451 | I1371-E1416 HydrophobicContact CG2-CG 3.38Å; I1371-E1416 WeakPolarHBondContact CG2-OE1 3.25Å; I1371-I1417 WeakPolarHBondContact CA-O 3.17Å; I1371-K1418 HydrophobicContact CG1-CG 4.09Å; I1371-R1451 HydrophobicContact CB-CG 4.5Å; I1371-R1451 HydrophobicContact CG2-CG 4.18Å; I1371-R1451 PolarHBondContact O-N 3.12Å |
| 1372 | Y | 92.8 | Very high | 80.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.3 | 173.3 | -58.9 | -93.1 | 0 | 0 | 0 | 109.7 | I1370 I1417 L1422 L1425 V1448 H1449 N1450 | I1370-Y1372 HydrophobicContact CB-CE2 3.86Å; I1370-Y1372 HydrophobicContact CG2-CD2 4.15Å; I1370-Y1372 HydrophobicContact CG2-CE1 4.16Å; I1370-Y1372 HydrophobicContact CG2-CE2 3.74Å; Y1372-I1417 PolarHBondContact N-O 3.1Å; Y1372-I1417 PolarHBondContact O-N 3.42Å; Y1372-L1422 HydrophobicContact CE2-CD1 4.23Å; Y1372-L1422 HydrophobicContact CE2-CG 4.2Å; Y1372-L1422 PolarHBondContact OH-N 3.32Å; Y1372-L1425 HydrophobicContact CE1-CD2 4.32Å; Y1372-V1448 HydrophobicContact CD1-CG1 4.22Å; Y1372-H1449 CarbonylContact C-O 3.48Å; Y1372-H1449 WeakPolarHBondContact CA-O 3.34Å; Y1372-N1450 HydrophobicContact CD1-CB 4.14Å; Y1372-N1450 HydrophobicContact CE1-CB 4.06Å |
| 1373 | E | 92.3 | Very high | 77.8 | Confident | 17 Ų | 17 | 58.2 Ų | 58.2 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128 | 174.8 | -68.4 | -178 | 171.1 | 0 | 0 | 109.7 | F1271 L1414 E1416 V1448 H1449 R1451 | F1271-E1373 HydrophobicContact CD1-CB 3.92Å; F1271-E1373 WeakPolarHBondContact CD1-OE2 3.14Å; F1271-E1373 HydrophobicContact CE1-CB 3.84Å; E1373-L1414 HydrophobicContact CB-CD1 4.5Å; E1373-E1416 HydrophobicContact CG-CG 4.3Å; E1373-V1448 CarbonylContact O-C 3.55Å; E1373-V1448 WeakPolarHBondContact O-CA 3.18Å; E1373-H1449 HydrophobicContact CB-CB 4.39Å; E1373-H1449 PolarHBondContact N-O 3.3Å; E1373-H1449 PolarHBondContact O-N 2.98Å; E1373-R1451 HydrophobicContact CG-CG 4.06Å; E1373-R1451 VanDerWaalsContact OE1-CD 3.24Å; E1373-R1451 WeakPolarHBondContact OE1-CD 3.46Å; E1373-R1451 IonicContact OE1-CZ 3.87Å; E1373-R1451 VanDerWaalsContact OE1-CZ 3.25Å; E1373-R1451 IonicContact OE1-NE 2.65Å; E1373-R1451 PolarHBondContact OE1-NE 3.47Å; E1373-R1451 IonicContact OE1-NH1 2.66Å; E1373-R1451 PolarHBondContact OE1-NH1 2.83Å |
| 1374 | I | 93.4 | Very high | 75.6 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 115 | -172.8 | -52.3 | 166.7 | 0 | 0 | 0 | 108.3 | I1376 I1394 I1396 L1414 I1415 I1417 I1446 I1447 V1448 | I1374-I1376 HydrophobicContact CG2-CG1 4.29Å; I1374-I1394 HydrophobicContact CG2-CD1 3.92Å; I1374-I1396 HydrophobicContact CD1-CD1 3.64Å; I1374-I1396 HydrophobicContact CG1-CD1 4Å; I1374-L1414 CarbonylContact O-C 3.59Å; I1374-L1414 WeakPolarHBondContact O-CA 3.43Å; I1374-I1415 HydrophobicContact CB-CB 4.36Å; I1374-I1415 PolarHBondContact N-O 3.15Å; I1374-I1415 PolarHBondContact O-N 3.01Å; I1374-I1417 HydrophobicContact CD1-CD1 3.98Å; I1374-I1417 HydrophobicContact CD1-CG1 4.04Å; I1374-I1417 HydrophobicContact CD1-CG2 3.9Å; I1374-I1446 HydrophobicContact CG2-CG2 3.64Å; I1374-I1447 CarbonylContact C-O 3.54Å; I1374-I1447 WeakPolarHBondContact CA-O 3.37Å; I1374-V1448 HydrophobicContact CG1-CG1 4.43Å; I1374-V1448 HydrophobicContact CG1-CG2 4.37Å; I1374-V1448 HydrophobicContact CG2-CG2 4.36Å |
| 1375 | F | 91.9 | Very high | 73.6 | Confident | 30 Ų | 30 | 61.6 Ų | 61.6 | 13% | 0.132 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 125.9 | 173.4 | 176 | -105.8 | 0 | 0 | 0 | 111.1 | L1265 I1270 F1271 C1377 N1413 L1414 F1445 I1446 I1447 | L1265-F1375 HydrophobicContact CD2-CE1 4.16Å; I1270-F1375 HydrophobicContact CD1-CD1 4.01Å; I1270-F1375 HydrophobicContact CD1-CE1 3.77Å; I1270-F1375 HydrophobicContact CD1-CE2 4.28Å; I1270-F1375 HydrophobicContact CD1-CG 4.37Å; I1270-F1375 HydrophobicContact CD1-CZ 3.91Å; I1270-F1375 HydrophobicContact CG1-CD2 4.45Å; I1270-F1375 HydrophobicContact CG1-CE2 4.2Å; I1270-F1375 HydrophobicContact CG1-CZ 4.25Å; I1270-F1375 HydrophobicContact CG2-CB 3.83Å; I1270-F1375 HydrophobicContact CG2-CD1 4.26Å; I1270-F1375 HydrophobicContact CG2-CD2 3.4Å; I1270-F1375 VanDerWaalsContact CG2-CD2 3.4Å; I1270-F1375 HydrophobicContact CG2-CE2 3.97Å; I1270-F1375 HydrophobicContact CG2-CG 3.55Å; F1271-F1375 HydrophobicContact CE1-CB 4.1Å; F1271-F1375 HydrophobicContact CE2-CB 4.47Å; F1271-F1375 HydrophobicContact CZ-CB 3.66Å; F1375-C1377 HydrophobicContact CE1-CB 3.9Å; F1375-C1377 HydrophobicContact CZ-CB 4.5Å; F1375-N1413 CarbonylContact C-O 3.57Å; F1375-N1413 WeakPolarHBondContact CA-O 2.87Å; F1375-N1413 WeakPolarHBondContact CD2-O 3.1Å; F1375-N1413 HydrophobicContact CE2-CB 4.32Å; F1375-L1414 HydrophobicContact CB-CD1 4.19Å; F1375-F1445 HydrophobicContact CD1-CE2 4.5Å; F1375-F1445 HydrophobicContact CE1-CE2 4.35Å; F1375-I1446 CarbonylContact O-C 3.59Å; F1375-I1446 VanDerWaalsContact O-CA 3.26Å; F1375-I1446 WeakPolarHBondContact O-CA 3.29Å; F1375-I1446 WeakPolarHBondContact O-CG2 3.38Å; F1375-I1447 HydrophobicContact CB-CB 4.5Å; F1375-I1447 PolarHBondContact N-O 3.1Å; F1375-I1447 PolarHBondContact O-N 3.12Å |
| 1376 | I | 90.8 | Very high | 71.9 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117.4 | -179.2 | -55.9 | 176.3 | 0 | 0 | 0 | 109.2 | I1374 I1408 N1413 I1415 I1430 W1441 I1443 I1446 | I1374-I1376 HydrophobicContact CG2-CG1 4.29Å; I1376-I1408 HydrophobicContact CD1-CD1 3.63Å; I1376-I1408 HydrophobicContact CD1-CG1 4.36Å; I1376-N1413 PolarHBondContact N-O 3.36Å; I1376-I1415 HydrophobicContact CD1-CD1 4.12Å; I1376-I1430 HydrophobicContact CD1-CD1 4.39Å; I1376-W1441 HydrophobicContact CG2-CZ2 4.12Å; I1376-I1443 HydrophobicContact CG2-CD1 4.35Å; I1376-I1443 HydrophobicContact CG2-CG1 4.47Å; I1376-I1443 HydrophobicContact CG2-CG2 4.19Å; I1376-I1446 HydrophobicContact CG1-CD1 4.44Å; I1376-I1446 HydrophobicContact CG1-CG1 4.26Å; I1376-I1446 HydrophobicContact CG1-CG2 4.21Å; I1376-I1446 HydrophobicContact CG2-CG1 4.28Å |
| 1377 | C | 86.5 | Confident | 71.1 | Confident | 12 Ų | 12 | 65.9 Ų | 65.9 | 8% | 0.081 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 112.4 | 180 | -159.2 | 0 | 0 | 0 | 0 | 111.6 | F1375 E1444 F1445 | F1375-C1377 HydrophobicContact CE1-CB 3.9Å; F1375-C1377 HydrophobicContact CZ-CB 4.5Å; C1377-E1444 PolarHBondContact O-N 3.22Å; C1377-F1445 HydrophobicContact CB-CD1 4.05Å; C1377-F1445 HydrophobicContact CB-CD2 3.94Å; C1377-F1445 HydrophobicContact CB-CE1 3.74Å; C1377-F1445 HydrophobicContact CB-CE2 3.62Å; C1377-F1445 HydrophobicContact CB-CG 4.14Å; C1377-F1445 HydrophobicContact CB-CZ 3.51Å; C1377-F1445 WeakPolarHBondContact CB-O 3.39Å; C1377-F1445 PolarHBondContact N-O 3.23Å |
| 1378 | N | 82 | Confident | 70.6 | Confident | 35 Ų | 35 | 59.7 Ų | 59.7 | 19% | 0.187 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 134 | 177.2 | -62.3 | -44.5 | 0 | 0 | 0 | 111 | N1413 W1441 | N1378-N1413 PolarHBondContact ND2-OD1 3.49Å; N1378-W1441 PolarHBondContact OD1-NE1 3.29Å |
| 1379 | G | 65.8 | Low | 70.5 | Confident | 26 Ų | 26 | 61.1 Ų | 61.1 | 27% | 0.268 | 35% | 0.353 | S | S | . | . | trans | -78.9 | 136.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1442 E1444 | G1379-F1442 PolarHBondContact N-O 2.7Å; G1379-E1444 WeakPolarHBondContact CA-OE1 3.11Å | ||
| 1380 | R | 55.4 | Low | 70.3 | Confident | 143 Ų | 143 | 55.6 Ų | 55.6 | 54% | 0.54 | 33% | 0.328 | S | S | . | . | trans | -100.5 | 3.9 | -166.6 | -72.5 | 176.2 | -74.9 | 153.8 | 0.2 | 115.7 | M1263 | M1263-R1380 PolarHBondContact SD-NH2 3Š| ||
| 1381 | K | 46.4 | Very low | 70.3 | Confident | 195 Ų | 195 | 59.5 Ų | 59.5 | 85% | 0.848 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -89.5 | 0.1 | -166.8 | -116.4 | 174.2 | -175.5 | 171 | 0 | 116.4 | ||
| 1382 | H | 44.7 | Very low | 70.3 | Confident | 137 Ų | 137 | 57.7 Ų | 57.7 | 63% | 0.634 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -120.3 | 145.1 | 173 | -66.1 | -52.9 | 0 | 0 | 0 | 110.8 | ||
| 1383 | S | 33.3 | Very low | 70.3 | Confident | 119 Ų | 119 | 60.4 Ų | 60.4 | 83% | 0.832 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -64.4 | 134.5 | -166 | 49.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1384 | S | 36 | Very low | 70.3 | Confident | 101 Ų | 101 | 59.6 Ų | 59.6 | 71% | 0.706 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 76.4 | 109.6 | -171 | -44.8 | 0 | 0 | 0 | 0 | 113.3 | S1386 | S1384-S1386 PolarHBondContact O-N 3.46Š|
| 1385 | G | 42.3 | Very low | 70.3 | Confident | 90 Ų | 90 | 61.7 Ų | 61.7 | 93% | 0.928 | 36% | 0.357 | S | S | * | . | trans | -76.2 | 52.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1387 | G1385-T1387 PolarHBondContact O-N 3.4Š| ||
| 1386 | S | 49.6 | Very low | 70.3 | Confident | 82 Ų | 82 | 60.3 Ų | 60.3 | 57% | 0.573 | 35% | 0.35 | S | S | * | . | trans | -69.7 | 112.2 | 174.9 | -63.9 | 0 | 0 | 0 | 0 | 110.1 | S1384 | S1384-S1386 PolarHBondContact O-N 3.46Š| ||
| 1387 | T | 61.9 | Low | 70.2 | Confident | 69 Ų | 69 | 61 Ų | 61 | 42% | 0.423 | 35% | 0.353 | S | S | . | . | trans | -56.6 | 140.7 | 151 | 44 | 0 | 0 | 0 | 0 | 108.5 | G1385 | G1385-T1387 PolarHBondContact O-N 3.4Š| ||
| 1388 | S | 71.1 | Confident | 70.1 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | trans | -60.5 | 143.7 | 179.3 | 176.4 | 0 | 0 | 0 | 0 | 111 | A1390 A1438 P1439 | S1388-A1390 VanDerWaalsContact C-N 3.28Å; S1388-A1390 PolarHBondContact OG-N 2.95Å; S1388-A1438 WeakPolarHBondContact CA-O 3.16Å; S1388-A1438 PolarHBondContact OG-O 3.45Å; S1388-P1439 VanDerWaalsContact OG-CA 3.31Å; S1388-P1439 WeakPolarHBondContact OG-CA 3.25Å; S1388-P1439 PolarHBondContact OG-O 2.94Å | ||
| 1389 | T | 80.1 | Confident | 70 | Confident | 45 Ų | 45 | 63.2 Ų | 63.2 | 28% | 0.276 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -76.9 | -16 | 175.2 | 55.8 | 0 | 0 | 0 | 0 | 113.2 | H1410 T1435 G1436 S1437 A1438 | T1389-H1410 PolarHBondContact O-NE2 2.93Å; T1389-T1435 CarbonylContact C-O 3.58Å; T1389-T1435 PolarHBondContact OG1-O 2.96Å; T1389-G1436 VanDerWaalsContact OG1-C 3.28Å; T1389-G1436 VanDerWaalsContact OG1-CA 3.32Å; T1389-G1436 WeakPolarHBondContact OG1-CA 3.36Å; T1389-S1437 PolarHBondContact OG1-N 2.79Å; T1389-A1438 HydrophobicContact CG2-CB 4.15Å; T1389-A1438 PolarHBondContact N-O 3.37Å; T1389-A1438 PolarHBondContact OG1-N 3.26Å; T1389-A1438 PolarHBondContact OG1-O 2.68Å |
| 1390 | A | 81.9 | Confident | 70.7 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 2% | 0.017 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -71.2 | 155.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1388 A1392 H1410 H1432 T1435 P1439 | S1388-A1390 VanDerWaalsContact C-N 3.28Å; S1388-A1390 PolarHBondContact OG-N 2.95Å; A1390-A1392 PolarHBondContact O-N 3.26Å; A1390-A1392 VanDerWaalsContact O-N 3.15Å; A1390-H1410 PolarHBondContact O-NE2 2.74Å; A1390-H1410 VanDerWaalsContact O-NE2 3.13Å; A1390-H1432 HydrophobicContact CB-CB 3.85Å; A1390-H1432 WeakPolarHBondContact CB-ND1 3.42Å; A1390-T1435 VanDerWaalsContact CA-O 3.25Å; A1390-T1435 WeakPolarHBondContact CA-O 3.17Å; A1390-T1435 PolarHBondContact N-O 3.14Å; A1390-P1439 HydrophobicContact CB-CB 4.13Å |
| 1391 | N | 87.5 | Confident | 72.1 | Confident | 84 Ų | 84 | 60.5 Ų | 60.5 | 45% | 0.449 | 36% | 0.358 | S | S | . | . | trans | -76.5 | 104.7 | 174.1 | -59.1 | -76 | 0 | 0 | 0 | 108.8 | H1410 H1432 D1433 T1435 | N1391-H1410 PolarHBondContact OD1-CE1 3.37Å; N1391-H1432 WeakPolarHBondContact O-CA 3.18Å; N1391-D1433 WeakPolarHBondContact CB-OD2 3.46Å; N1391-D1433 PolarHBondContact N-OD1 3.24Å; N1391-D1433 PolarHBondContact ND2-OD2 3.07Å; N1391-D1433 PolarHBondContact O-N 3.46Å; N1391-T1435 PolarHBondContact ND2-OG1 3.37Å | ||
| 1392 | A | 90.3 | Very high | 74.1 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 152.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1390 I1408 G1431 H1432 W1441 | A1390-A1392 PolarHBondContact O-N 3.26Å; A1390-A1392 VanDerWaalsContact O-N 3.15Å; A1392-I1408 HydrophobicContact CB-CB 3.92Å; A1392-I1408 HydrophobicContact CB-CD1 3.96Å; A1392-I1408 HydrophobicContact CB-CG1 4.41Å; A1392-I1408 HydrophobicContact CB-CG2 4.35Å; A1392-I1408 PolarHBondContact O-N 3.42Å; A1392-G1431 CarbonylContact C-O 3.54Å; A1392-G1431 VanDerWaalsContact CA-O 3.32Å; A1392-G1431 WeakPolarHBondContact CA-O 3.49Å; A1392-H1432 HydrophobicContact CB-CB 4.39Å; A1392-W1441 HydrophobicContact CB-CE3 4.23Å; A1392-W1441 HydrophobicContact CB-CH2 3.6Å; A1392-W1441 HydrophobicContact CB-CZ3 3.41Å; A1392-W1441 VanDerWaalsContact CB-CZ3 3.41Å |
| 1393 | W | 92.5 | Very high | 76.4 | Confident | 56 Ų | 56 | 47.4 Ų | 47.4 | 21% | 0.212 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 155 | -179.9 | 63.6 | -95 | 0 | 0 | 0 | 111.6 | K1395 V1405 I1406 Q1429 I1430 G1431 E1475 | W1393-K1395 HydrophobicContact CZ3-CB 4.46Å; W1393-V1405 HydrophobicContact CB-CG1 3.73Å; W1393-V1405 HydrophobicContact CD2-CG1 4.01Å; W1393-V1405 HydrophobicContact CE3-CG1 3.8Å; W1393-V1405 HydrophobicContact CG-CG1 4.02Å; W1393-I1406 CarbonylContact C-O 3.49Å; W1393-I1406 VanDerWaalsContact CA-O 3.22Å; W1393-I1406 WeakPolarHBondContact CA-O 3.27Å; W1393-Q1429 HydrophobicContact CH2-CB 4.32Å; W1393-Q1429 HydrophobicContact CZ3-CB 3.97Å; W1393-I1430 WeakPolarHBondContact O-CA 3.26Å; W1393-I1430 WeakPolarHBondContact O-CG1 3.23Å; W1393-G1431 PolarHBondContact N-O 3.33Å; W1393-G1431 PolarHBondContact O-N 3.05Å; W1393-E1475 HydrophobicContact CH2-CB 4.3Å; W1393-E1475 HydrophobicContact CZ2-CB 3.91Å |
| 1394 | I | 93.4 | Very high | 79.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 147.5 | -175.1 | -162.6 | 171.4 | 0 | 0 | 0 | 111.2 | I1374 I1406 I1408 L1428 Q1429 I1430 I1446 | I1374-I1394 HydrophobicContact CG2-CD1 3.92Å; I1394-I1406 HydrophobicContact CG2-CB 3.77Å; I1394-I1406 HydrophobicContact CG2-CD1 4.36Å; I1394-I1406 HydrophobicContact CG2-CG2 4.02Å; I1394-I1406 PolarHBondContact N-O 3.24Å; I1394-I1406 PolarHBondContact O-N 3.39Å; I1394-I1408 HydrophobicContact CB-CD1 4.05Å; I1394-I1408 HydrophobicContact CB-CG1 4.34Å; I1394-I1408 HydrophobicContact CG2-CD1 4.33Å; I1394-I1408 HydrophobicContact CG2-CG1 4.1Å; I1394-L1428 HydrophobicContact CD1-CD1 4.08Å; I1394-L1428 HydrophobicContact CD1-CD2 3.89Å; I1394-L1428 HydrophobicContact CD1-CG 4.19Å; I1394-L1428 HydrophobicContact CG1-CD1 4.46Å; I1394-L1428 HydrophobicContact CG1-CD2 3.71Å; I1394-L1428 HydrophobicContact CG1-CG 4.05Å; I1394-Q1429 CarbonylContact C-O 3.28Å; I1394-Q1429 WeakPolarHBondContact CA-O 3.06Å; I1394-I1430 HydrophobicContact CD1-CD1 4.22Å; I1394-I1430 HydrophobicContact CG1-CB 4.37Å; I1394-I1430 HydrophobicContact CG1-CD1 4.41Å; I1394-I1430 HydrophobicContact CG1-CG1 4.45Å; I1394-I1446 HydrophobicContact CD1-CD1 4.26Å |
| 1395 | K | 92.9 | Very high | 81.7 | Confident | 45 Ų | 45 | 49.1 Ų | 49.1 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 124.3 | 177 | -174.7 | -170.9 | 171.7 | -168.1 | 0 | 109.7 | W1393 H1397 S1402 T1403 V1405 L1428 Q1429 | W1393-K1395 HydrophobicContact CZ3-CB 4.46Å; K1395-H1397 WeakPolarHBondContact CD-CE1 3.38Å; K1395-H1397 VanDerWaalsContact CG-CE1 3.48Å; K1395-H1397 WeakPolarHBondContact CG-CE1 3.31Å; K1395-H1397 PolarHBondContact NZ-NE2 3.5Å; K1395-H1397 VanDerWaalsContact NZ-NE2 3.15Å; K1395-H1397 PolarHBondContact O-CE1 3.29Å; K1395-S1402 VanDerWaalsContact CE-OG 3.3Å; K1395-S1402 WeakPolarHBondContact CE-OG 3.29Å; K1395-T1403 WeakPolarHBondContact CA-OG1 3.32Å; K1395-T1403 WeakPolarHBondContact CE-O 3.36Å; K1395-T1403 WeakPolarHBondContact CG-O 2.89Å; K1395-V1405 HydrophobicContact CD-CG2 4.42Å; K1395-L1428 CarbonylContact O-C 3.51Å; K1395-L1428 WeakPolarHBondContact O-CA 3.06Å; K1395-Q1429 HydrophobicContact CB-CB 4.26Å; K1395-Q1429 PolarHBondContact N-O 3.24Å; K1395-Q1429 PolarHBondContact O-N 3.4Å |
| 1396 | I | 92.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 141.7 | -175 | -56.9 | 173 | 0 | 0 | 0 | 109.6 | I1374 S1402 T1403 I1417 L1422 L1425 L1428 V1448 | I1374-I1396 HydrophobicContact CD1-CD1 3.64Å; I1374-I1396 HydrophobicContact CG1-CD1 4Å; I1396-S1402 CarbonylContact O-C 3.43Å; I1396-S1402 WeakPolarHBondContact O-CA 3.34Å; I1396-S1402 WeakPolarHBondContact O-CB 3.38Å; I1396-T1403 HydrophobicContact CB-CG2 3.93Å; I1396-T1403 PolarHBondContact N-OG1 3.45Å; I1396-T1403 PolarHBondContact O-N 2.86Å; I1396-I1417 HydrophobicContact CD1-CD1 4.15Å; I1396-L1422 HydrophobicContact CB-CD1 4.22Å; I1396-L1422 HydrophobicContact CG2-CD1 3.92Å; I1396-L1425 HydrophobicContact CG2-CD1 3.99Å; I1396-L1425 HydrophobicContact CG2-CD2 3.98Å; I1396-L1425 HydrophobicContact CG2-CG 4.43Å; I1396-L1428 HydrophobicContact CD1-CD1 4.49Å; I1396-L1428 HydrophobicContact CG1-CD1 4.08Å; I1396-L1428 HydrophobicContact CG1-CG 4.1Å; I1396-V1448 HydrophobicContact CD1-CG1 4.11Å; I1396-V1448 HydrophobicContact CD1-CG2 3.93Å |
| 1397 | H | 87.6 | Confident | 86 | Confident | 16 Ų | 16 | 51 Ų | 51 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 148.4 | 179.7 | -54.5 | 66.6 | 0 | 0 | 0 | 110.2 | K1395 S1402 L1425 S1426 T1427 Q1429 A1850 | K1395-H1397 WeakPolarHBondContact CD-CE1 3.38Å; K1395-H1397 VanDerWaalsContact CG-CE1 3.48Å; K1395-H1397 WeakPolarHBondContact CG-CE1 3.31Å; K1395-H1397 PolarHBondContact NZ-NE2 3.5Å; K1395-H1397 VanDerWaalsContact NZ-NE2 3.15Å; K1395-H1397 PolarHBondContact O-CE1 3.29Å; H1397-S1402 WeakPolarHBondContact CD2-CB 3.12Å; H1397-L1425 WeakPolarHBondContact O-CA 3.44Å; H1397-S1426 PolarHBondContact O-N 2.39Å; H1397-S1426 PolarHBondContact O-OG 3.22Å; H1397-T1427 WeakPolarHBondContact CB-OG1 3.35Å; H1397-T1427 PolarHBondContact N-O 3.21Å; H1397-Q1429 WeakPolarHBondContact CE1-CB 3.27Å; H1397-Q1429 WeakPolarHBondContact CE1-CG 3.41Å; H1397-Q1429 PolarHBondContact CE1-OE1 3.43Å; H1397-Q1429 PolarHBondContact NE2-OE1 3.3Å; H1397-A1850 VanDerWaalsContact NE2-CB 3.31Å; H1397-A1850 WeakPolarHBondContact NE2-CB 3.39Å |
| 1398 | G | 85.5 | Confident | 87.3 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 7% | 0.072 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 175.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1400 G1401 L1422 L1424 | G1398-F1400 PolarHBondContact O-N 2.85Å; G1398-G1401 PolarHBondContact N-O 2.96Å; G1398-G1401 PolarHBondContact O-N 3.19Å; G1398-L1422 CarbonylContact C-O 3.53Å; G1398-L1422 WeakPolarHBondContact CA-O 3.37Å; G1398-L1424 CarbonylContact C-O 3.59Å; G1398-L1424 WeakPolarHBondContact CA-O 3.41Å |
| 1399 | H | 78.4 | Confident | 88 | Confident | 88 Ų | 88 | 50.9 Ų | 50.9 | 41% | 0.407 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -7.8 | -167.8 | 67.4 | -153.4 | 0 | 0 | 0 | 116.4 | L1422 G1423 L1424 | H1399-L1422 PolarHBondContact N-O 3.42Å; H1399-L1422 VanDerWaalsContact N-O 3.13Å; H1399-G1423 WeakPolarHBondContact NE2-CA 3.35Å; H1399-L1424 VanDerWaalsContact CE1-CG 3.44Å; H1399-L1424 WeakPolarHBondContact CE1-CG 3.17Å; H1399-L1424 PolarHBondContact CE1-N 2.82Å; H1399-L1424 PolarHBondContact N-O 3.24Å; H1399-L1424 PolarHBondContact NE2-N 3.12Å |
| 1400 | F | 81 | Confident | 88 | Confident | 75 Ų | 75 | 53.7 Ų | 53.7 | 33% | 0.329 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -0.9 | 172.2 | -63.1 | -36.8 | 0 | 0 | 0 | 114.3 | T1362 R1363 N1366 G1398 N1421 L1422 | T1362-F1400 HydrophobicContact CG2-CE2 4.19Å; R1363-F1400 HydrophobicContact CG-CZ 4.37Å; N1366-F1400 HydrophobicContact CB-CD1 4.36Å; N1366-F1400 HydrophobicContact CB-CD2 3.8Å; N1366-F1400 HydrophobicContact CB-CE1 4.21Å; N1366-F1400 HydrophobicContact CB-CE2 3.63Å; N1366-F1400 HydrophobicContact CB-CG 4.19Å; N1366-F1400 HydrophobicContact CB-CZ 3.87Å; G1398-F1400 PolarHBondContact O-N 2.85Å; F1400-N1421 WeakPolarHBondContact CB-O 3.42Å; F1400-L1422 PolarHBondContact N-O 3.02Å |
| 1401 | G | 84.7 | Confident | 87.6 | Confident | 36 Ų | 36 | 56 Ų | 56 | 37% | 0.371 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.5 | -158.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G1398 | G1398-G1401 PolarHBondContact N-O 2.96Å; G1398-G1401 PolarHBondContact O-N 3.19Å |
| 1402 | S | 88.2 | Confident | 87.1 | Confident | 52 Ų | 52 | 57.5 Ų | 57.5 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 158 | 176 | 64.8 | 0 | 0 | 0 | 0 | 111.4 | K1395 I1396 H1397 | K1395-S1402 VanDerWaalsContact CE-OG 3.3Å; K1395-S1402 WeakPolarHBondContact CE-OG 3.29Å; I1396-S1402 CarbonylContact O-C 3.43Å; I1396-S1402 WeakPolarHBondContact O-CA 3.34Å; I1396-S1402 WeakPolarHBondContact O-CB 3.38Å; H1397-S1402 WeakPolarHBondContact CD2-CB 3.12Å |
| 1403 | T | 92.7 | Very high | 86.8 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | trans | -68.9 | 164 | 173.3 | 69.4 | 0 | 0 | 0 | 0 | 110.9 | K1395 I1396 I1406 I1417 L1422 | K1395-T1403 WeakPolarHBondContact CA-OG1 3.32Å; K1395-T1403 WeakPolarHBondContact CE-O 3.36Å; K1395-T1403 WeakPolarHBondContact CG-O 2.89Å; I1396-T1403 HydrophobicContact CB-CG2 3.93Å; I1396-T1403 PolarHBondContact N-OG1 3.45Å; I1396-T1403 PolarHBondContact O-N 2.86Å; T1403-I1406 HydrophobicContact CG2-CD1 4.07Å; T1403-I1417 HydrophobicContact CG2-CD1 4.01Å; T1403-L1422 HydrophobicContact CG2-CD1 3.74Å; T1403-L1422 HydrophobicContact CG2-CD2 4.27Å | ||
| 1404 | Q | 90.7 | Very high | 86.7 | Confident | 168 Ų | 168 | 60.7 Ų | 60.7 | 79% | 0.785 | 33% | 0.326 | S | S | * | . | trans | -68.1 | 169.6 | 155.1 | -63.7 | -173.6 | 4.8 | 0 | 0 | 109.7 | I1406 | Q1404-I1406 PolarHBondContact O-N 2.96Š| ||
| 1405 | V | 89.9 | Confident | 86.5 | Confident | 88 Ų | 88 | 61.6 Ų | 61.6 | 53% | 0.533 | 33% | 0.331 | S | S | . | . | trans | -69.8 | 112.1 | 173.9 | 177.7 | 0 | 0 | 0 | 0 | 109 | W1393 K1395 | W1393-V1405 HydrophobicContact CB-CG1 3.73Å; W1393-V1405 HydrophobicContact CD2-CG1 4.01Å; W1393-V1405 HydrophobicContact CE3-CG1 3.8Å; W1393-V1405 HydrophobicContact CG-CG1 4.02Å; K1395-V1405 HydrophobicContact CD-CG2 4.42Å | ||
| 1406 | I | 92.4 | Very high | 86.5 | Confident | 33 Ų | 33 | 64.7 Ų | 64.7 | 17% | 0.169 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 128.3 | 178.6 | -62.9 | 135.1 | 0 | 0 | 0 | 107.8 | W1393 I1394 T1403 Q1404 I1417 | W1393-I1406 CarbonylContact C-O 3.49Å; W1393-I1406 VanDerWaalsContact CA-O 3.22Å; W1393-I1406 WeakPolarHBondContact CA-O 3.27Å; I1394-I1406 HydrophobicContact CG2-CB 3.77Å; I1394-I1406 HydrophobicContact CG2-CD1 4.36Å; I1394-I1406 HydrophobicContact CG2-CG2 4.02Å; I1394-I1406 PolarHBondContact N-O 3.24Å; I1394-I1406 PolarHBondContact O-N 3.39Å; T1403-I1406 HydrophobicContact CG2-CD1 4.07Å; Q1404-I1406 PolarHBondContact O-N 2.96Å; I1406-I1417 HydrophobicContact CD1-CD1 3.71Å; I1406-I1417 HydrophobicContact CD1-CG2 4.09Å; I1406-I1417 HydrophobicContact CG1-CG2 4.3Å; I1406-I1417 HydrophobicContact CG2-CG2 4.04Å |
| 1407 | K | 91.2 | Very high | 86.4 | Confident | 178 Ų | 178 | 65.4 Ų | 65.4 | 77% | 0.774 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 135.4 | 172.3 | -66.2 | -173.2 | 177.5 | -173.5 | 0 | 110 | ||
| 1408 | I | 89.5 | Confident | 86.6 | Confident | 17 Ų | 17 | 70.5 Ų | 70.5 | 9% | 0.087 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 122.5 | 176.6 | -65.4 | 172.2 | 0 | 0 | 0 | 108.3 | I1376 A1392 I1394 I1415 I1430 W1441 | I1376-I1408 HydrophobicContact CD1-CD1 3.63Å; I1376-I1408 HydrophobicContact CD1-CG1 4.36Å; A1392-I1408 HydrophobicContact CB-CB 3.92Å; A1392-I1408 HydrophobicContact CB-CD1 3.96Å; A1392-I1408 HydrophobicContact CB-CG1 4.41Å; A1392-I1408 HydrophobicContact CB-CG2 4.35Å; A1392-I1408 PolarHBondContact O-N 3.42Å; I1394-I1408 HydrophobicContact CB-CD1 4.05Å; I1394-I1408 HydrophobicContact CB-CG1 4.34Å; I1394-I1408 HydrophobicContact CG2-CD1 4.33Å; I1394-I1408 HydrophobicContact CG2-CG1 4.1Å; I1408-I1415 HydrophobicContact CB-CD1 4.18Å; I1408-I1415 HydrophobicContact CG1-CD1 3.72Å; I1408-I1415 HydrophobicContact CG2-CD1 3.98Å; I1408-I1430 HydrophobicContact CD1-CD1 4.01Å; I1408-I1430 HydrophobicContact CD1-CG1 4.38Å; I1408-W1441 HydrophobicContact CD1-CH2 3.84Å |
| 1409 | P | 84.2 | Confident | 86.9 | Confident | 62 Ų | 62 | 72.4 Ų | 72.4 | 40% | 0.403 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 136.4 | 174.1 | -16.9 | 31.1 | 0 | 0 | 0 | 111.6 | G1411 H1412 | P1409-G1411 PolarHBondContact O-N 3.46Å; P1409-H1412 HydrophobicContact CB-CB 4.19Å; P1409-H1412 HydrophobicContact CG-CB 4.48Å; P1409-H1412 PolarHBondContact O-N 3.49Å; P1409-H1412 VanDerWaalsContact O-N 3.12Å |
| 1410 | H | 80.4 | Confident | 87.4 | Confident | 104 Ų | 104 | 74.2 Ų | 74.2 | 48% | 0.481 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 131.7 | 177.2 | -67.2 | 76.3 | 0 | 0 | 0 | 112 | T1389 A1390 N1391 H1412 | T1389-H1410 PolarHBondContact O-NE2 2.93Å; A1390-H1410 PolarHBondContact O-NE2 2.74Å; A1390-H1410 VanDerWaalsContact O-NE2 3.13Å; N1391-H1410 PolarHBondContact OD1-CE1 3.37Å; H1410-H1412 VanDerWaalsContact C-N 3.27Å; H1410-H1412 PolarHBondContact O-N 3.22Å |
| 1411 | G | 73.6 | Confident | 87.8 | Confident | 52 Ų | 52 | 70.7 Ų | 70.7 | 54% | 0.536 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | -8.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | P1409 | P1409-G1411 PolarHBondContact O-N 3.46Š|
| 1412 | H | 78.3 | Confident | 88.1 | Confident | 114 Ų | 114 | 69.2 Ų | 69.2 | 53% | 0.528 | 35% | 0.351 | S | S | . | . | trans | -88.9 | 108.1 | 176.7 | -77.3 | -106.7 | 0 | 0 | 0 | 111.6 | P1409 H1410 | P1409-H1412 HydrophobicContact CB-CB 4.19Å; P1409-H1412 HydrophobicContact CG-CB 4.48Å; P1409-H1412 PolarHBondContact O-N 3.49Å; P1409-H1412 VanDerWaalsContact O-N 3.12Å; H1410-H1412 VanDerWaalsContact C-N 3.27Å; H1410-H1412 PolarHBondContact O-N 3.22Å | ||
| 1413 | N | 84.2 | Confident | 88 | Confident | 68 Ų | 68 | 66.8 Ų | 66.8 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -86.7 | -9.1 | 172.1 | -63.5 | -22.7 | 0 | 0 | 0 | 113.1 | F1375 I1376 N1378 | F1375-N1413 CarbonylContact C-O 3.57Å; F1375-N1413 WeakPolarHBondContact CA-O 2.87Å; F1375-N1413 WeakPolarHBondContact CD2-O 3.1Å; F1375-N1413 HydrophobicContact CE2-CB 4.32Å; I1376-N1413 PolarHBondContact N-O 3.36Å; N1378-N1413 PolarHBondContact ND2-OD1 3.49Å |
| 1414 | L | 89.1 | Confident | 87.6 | Confident | 67 Ų | 67 | 67.7 Ų | 67.7 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.6 | 174.7 | -177.6 | 70.1 | 0 | 0 | 0 | 108.9 | I1270 F1271 E1373 I1374 F1375 | I1270-L1414 HydrophobicContact CG2-CD1 4.37Å; I1270-L1414 WeakPolarHBondContact O-CD2 3.36Å; F1271-L1414 HydrophobicContact CD1-CD1 3.81Å; F1271-L1414 HydrophobicContact CE1-CD1 3.61Å; E1373-L1414 HydrophobicContact CB-CD1 4.5Å; I1374-L1414 CarbonylContact O-C 3.59Å; I1374-L1414 WeakPolarHBondContact O-CA 3.43Å; F1375-L1414 HydrophobicContact CB-CD1 4.19Å |
| 1415 | I | 90.4 | Very high | 87.5 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 9% | 0.092 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 122 | -176.1 | -47.8 | 171.3 | 0 | 0 | 0 | 108.7 | I1374 I1376 I1408 I1417 | I1374-I1415 HydrophobicContact CB-CB 4.36Å; I1374-I1415 PolarHBondContact N-O 3.15Å; I1374-I1415 PolarHBondContact O-N 3.01Å; I1376-I1415 HydrophobicContact CD1-CD1 4.12Å; I1408-I1415 HydrophobicContact CB-CD1 4.18Å; I1408-I1415 HydrophobicContact CG1-CD1 3.72Å; I1408-I1415 HydrophobicContact CG2-CD1 3.98Å; I1415-I1417 HydrophobicContact CG2-CG2 4.08Å |
| 1416 | E | 91.6 | Very high | 87.1 | Confident | 111 Ų | 111 | 56.3 Ų | 56.3 | 52% | 0.519 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 128.5 | 167.6 | -168.7 | -173.9 | 136.3 | 0 | 0 | 109.1 | I1371 E1373 R1451 | I1371-E1416 HydrophobicContact CG2-CG 3.38Å; I1371-E1416 WeakPolarHBondContact CG2-OE1 3.25Å; E1373-E1416 HydrophobicContact CG-CG 4.3Å; E1416-R1451 IonicContact OE2-NH1 3.55Å |
| 1417 | I | 91.8 | Very high | 86.8 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 8% | 0.077 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145 | 169.3 | 68.5 | 163.5 | 0 | 0 | 0 | 110.5 | I1371 Y1372 I1374 I1396 T1403 I1406 I1415 | I1371-I1417 WeakPolarHBondContact CA-O 3.17Å; Y1372-I1417 PolarHBondContact N-O 3.1Å; Y1372-I1417 PolarHBondContact O-N 3.42Å; I1374-I1417 HydrophobicContact CD1-CD1 3.98Å; I1374-I1417 HydrophobicContact CD1-CG1 4.04Å; I1374-I1417 HydrophobicContact CD1-CG2 3.9Å; I1396-I1417 HydrophobicContact CD1-CD1 4.15Å; T1403-I1417 HydrophobicContact CG2-CD1 4.01Å; I1406-I1417 HydrophobicContact CD1-CD1 3.71Å; I1406-I1417 HydrophobicContact CD1-CG2 4.09Å; I1406-I1417 HydrophobicContact CG1-CG2 4.3Å; I1406-I1417 HydrophobicContact CG2-CG2 4.04Å; I1415-I1417 HydrophobicContact CG2-CG2 4.08Å |
| 1418 | K | 90.8 | Very high | 86.8 | Confident | 123 Ų | 123 | 46.3 Ų | 46.3 | 54% | 0.535 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125 | 172.2 | -158.8 | -175.5 | -167.8 | -147.4 | 0 | 109.1 | E1369 I1371 | E1369-K1418 HydrophobicContact CB-CG 4.36Å; E1369-K1418 IonicContact OE1-NZ 2.73Å; E1369-K1418 WeakPolarHBondContact OE2-CE 3.2Å; E1369-K1418 IonicContact OE2-NZ 3.14Å; E1369-K1418 PolarHBondContact OE2-NZ 2.97Å; I1371-K1418 HydrophobicContact CG1-CG 4.09Å |
| 1419 | N | 91.5 | Very high | 86.9 | Confident | 46 Ų | 46 | 46.5 Ų | 46.5 | 25% | 0.246 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 167 | -178.7 | -150.3 | -34.8 | 0 | 0 | 0 | 110.6 | E1369 I1370 | E1369-N1419 CarbonylContact C-O 3.52Å; E1369-N1419 VanDerWaalsContact CA-O 3.25Å; E1369-N1419 WeakPolarHBondContact CA-O 3.42Å; I1370-N1419 PolarHBondContact N-O 3.05Å; I1370-N1419 PolarHBondContact O-N 2.75Å; I1370-N1419 VanDerWaalsContact O-N 3.08Å; I1370-N1419 VanDerWaalsContact O-O 3.11Å |
| 1420 | R | 89.9 | Confident | 87.2 | Confident | 126 Ų | 126 | 43.5 Ų | 43.5 | 48% | 0.475 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 141.8 | 165.1 | -178 | 174.7 | 175.4 | 168.7 | -2.3 | 109.5 | N1366 T1368 L1422 | N1366-R1420 VanDerWaalsContact O-CZ 3.31Å; N1366-R1420 PolarHBondContact O-NE 2.82Å; N1366-R1420 PolarHBondContact O-NH2 3.33Å; T1368-R1420 CarbonylContact O-C 3.52Å; T1368-R1420 WeakPolarHBondContact O-CA 3.47Å; R1420-L1422 PolarHBondContact O-N 3.43Å |
| 1421 | N | 89.6 | Confident | 87.7 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | trans | -46 | 111.7 | 174.7 | 178 | 11.2 | 0 | 0 | 0 | 111.8 | T1362 I1365 T1368 I1370 F1400 G1423 | T1362-N1421 PolarHBondContact O-ND2 2.84Å; I1365-N1421 WeakPolarHBondContact O-CB 3.11Å; I1365-N1421 PolarHBondContact O-ND2 3.22Å; T1368-N1421 PolarHBondContact O-N 3.42Å; I1370-N1421 HydrophobicContact CD1-CB 3.58Å; I1370-N1421 VanDerWaalsContact CD1-CG 3.49Å; I1370-N1421 HydrophobicContact CG1-CB 4.03Å; F1400-N1421 WeakPolarHBondContact CB-O 3.42Å; N1421-G1423 VanDerWaalsContact C-N 3.28Å; N1421-G1423 WeakPolarHBondContact OD1-CA 3.47Å; N1421-G1423 PolarHBondContact OD1-N 2.86Å | ||
| 1422 | L | 89.8 | Confident | 88.5 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | trans | -78.6 | -12.1 | 178.3 | -58.6 | 174.7 | 0 | 0 | 0 | 112.7 | Y1372 I1396 G1398 H1399 F1400 T1403 R1420 L1425 | Y1372-L1422 HydrophobicContact CE2-CD1 4.23Å; Y1372-L1422 HydrophobicContact CE2-CG 4.2Å; Y1372-L1422 PolarHBondContact OH-N 3.32Å; I1396-L1422 HydrophobicContact CB-CD1 4.22Å; I1396-L1422 HydrophobicContact CG2-CD1 3.92Å; G1398-L1422 CarbonylContact C-O 3.53Å; G1398-L1422 WeakPolarHBondContact CA-O 3.37Å; H1399-L1422 PolarHBondContact N-O 3.42Å; H1399-L1422 VanDerWaalsContact N-O 3.13Å; F1400-L1422 PolarHBondContact N-O 3.02Å; T1403-L1422 HydrophobicContact CG2-CD1 3.74Å; T1403-L1422 HydrophobicContact CG2-CD2 4.27Å; R1420-L1422 PolarHBondContact O-N 3.43Å; L1422-L1425 HydrophobicContact CB-CD2 3.65Å; L1422-L1425 HydrophobicContact CD1-CD2 3.86Å; L1422-L1425 HydrophobicContact CG-CD2 4.4Å | ||
| 1423 | G | 86.6 | Confident | 89 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | trans | 80.5 | -145.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | H1399 N1421 | H1399-G1423 WeakPolarHBondContact NE2-CA 3.35Å; N1421-G1423 VanDerWaalsContact C-N 3.28Å; N1421-G1423 WeakPolarHBondContact OD1-CA 3.47Å; N1421-G1423 PolarHBondContact OD1-N 2.86Å | ||
| 1424 | L | 85.1 | Confident | 89.2 | Confident | 24 Ų | 24 | 33.1 Ų | 33.1 | 13% | 0.126 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -69.9 | 127.9 | 167.4 | -61.1 | 174.7 | 0 | 0 | 0 | 109.1 | F1359 G1398 H1399 Y1457 | F1359-L1424 HydrophobicContact CD1-CD2 3.67Å; F1359-L1424 HydrophobicContact CE1-CD2 3.68Å; F1359-L1424 HydrophobicContact CG-CD1 4.47Å; F1359-L1424 HydrophobicContact CG-CD2 4.36Å; F1359-L1424 HydrophobicContact CZ-CD2 4.39Å; G1398-L1424 CarbonylContact C-O 3.59Å; G1398-L1424 WeakPolarHBondContact CA-O 3.41Å; H1399-L1424 VanDerWaalsContact CE1-CG 3.44Å; H1399-L1424 WeakPolarHBondContact CE1-CG 3.17Å; H1399-L1424 PolarHBondContact CE1-N 2.82Å; H1399-L1424 PolarHBondContact N-O 3.24Å; H1399-L1424 PolarHBondContact NE2-N 3.12Å; L1424-Y1457 VanDerWaalsContact CD2-OH 3.24Å; L1424-Y1457 WeakPolarHBondContact CD2-OH 3.32Å |
| 1425 | L | 87.8 | Confident | 89 | Confident | 10 Ų | 10 | 32.7 Ų | 32.7 | 5% | 0.052 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 144.2 | -179.5 | -50.7 | -174.3 | 0 | 0 | 0 | 110.9 | Y1372 I1396 H1397 L1422 V1448 Y1457 F1459 | Y1372-L1425 HydrophobicContact CE1-CD2 4.32Å; I1396-L1425 HydrophobicContact CG2-CD1 3.99Å; I1396-L1425 HydrophobicContact CG2-CD2 3.98Å; I1396-L1425 HydrophobicContact CG2-CG 4.43Å; H1397-L1425 WeakPolarHBondContact O-CA 3.44Å; L1422-L1425 HydrophobicContact CB-CD2 3.65Å; L1422-L1425 HydrophobicContact CD1-CD2 3.86Å; L1422-L1425 HydrophobicContact CG-CD2 4.4Å; L1425-V1448 HydrophobicContact CD1-CB 3.94Å; L1425-V1448 HydrophobicContact CD1-CG1 3.57Å; L1425-Y1457 HydrophobicContact CB-CD1 3.93Å; L1425-Y1457 HydrophobicContact CB-CD2 4.05Å; L1425-Y1457 HydrophobicContact CB-CE1 4.2Å; L1425-Y1457 HydrophobicContact CB-CE2 4.3Å; L1425-Y1457 HydrophobicContact CB-CG 3.87Å; L1425-Y1457 HydrophobicContact CD1-CD2 3.56Å; L1425-Y1457 HydrophobicContact CD1-CE2 4.11Å; L1425-Y1457 HydrophobicContact CD1-CG 3.98Å; L1425-Y1457 HydrophobicContact CG-CD2 3.76Å; L1425-Y1457 HydrophobicContact CG-CE2 3.87Å; L1425-Y1457 HydrophobicContact CG-CG 4.11Å; L1425-F1459 HydrophobicContact CB-CZ 4.11Å |
| 1426 | S | 81.5 | Confident | 88.7 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 5% | 0.049 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | -51.6 | -170.4 | 50.5 | 0 | 0 | 0 | 0 | 113 | H1397 G1480 E1848 | H1397-S1426 PolarHBondContact O-N 2.39Å; H1397-S1426 PolarHBondContact O-OG 3.22Å; S1426-G1480 PolarHBondContact O-N 3.15Å; S1426-E1848 VanDerWaalsContact CB-OE1 3.23Å; S1426-E1848 WeakPolarHBondContact CB-OE1 3.31Å; S1426-E1848 PolarHBondContact OG-OE1 3.44Å; S1426-E1848 PolarHBondContact OG-OE2 3Å |
| 1427 | T | 85.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 157.6 | 179.7 | 48.9 | 0 | 0 | 0 | 0 | 112.4 | H1397 I1477 L1478 I1479 T1564 E1848 | H1397-T1427 WeakPolarHBondContact CB-OG1 3.35Å; H1397-T1427 PolarHBondContact N-O 3.21Å; T1427-I1477 HydrophobicContact CG2-CG2 4.07Å; T1427-L1478 CarbonylContact C-O 3.57Å; T1427-L1478 VanDerWaalsContact CA-O 3.31Å; T1427-L1478 WeakPolarHBondContact CA-O 3.05Å; T1427-I1479 HydrophobicContact CG2-CG1 4.2Å; T1427-T1564 HydrophobicContact CG2-CG2 3.38Å; T1427-E1848 WeakPolarHBondContact CG2-OE2 3.41Å; T1427-E1848 PolarHBondContact OG1-OE2 3Å |
| 1428 | L | 91.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 111.9 | 179.8 | -177.7 | 161.9 | 0 | 0 | 0 | 108.3 | I1394 K1395 I1396 I1430 I1446 V1448 F1459 L1478 | I1394-L1428 HydrophobicContact CD1-CD1 4.08Å; I1394-L1428 HydrophobicContact CD1-CD2 3.89Å; I1394-L1428 HydrophobicContact CD1-CG 4.19Å; I1394-L1428 HydrophobicContact CG1-CD1 4.46Å; I1394-L1428 HydrophobicContact CG1-CD2 3.71Å; I1394-L1428 HydrophobicContact CG1-CG 4.05Å; K1395-L1428 CarbonylContact O-C 3.51Å; K1395-L1428 WeakPolarHBondContact O-CA 3.06Å; I1396-L1428 HydrophobicContact CD1-CD1 4.49Å; I1396-L1428 HydrophobicContact CG1-CD1 4.08Å; I1396-L1428 HydrophobicContact CG1-CG 4.1Å; L1428-I1430 HydrophobicContact CD2-CB 3.96Å; L1428-I1430 HydrophobicContact CD2-CG2 4.25Å; L1428-I1446 HydrophobicContact CD1-CB 4.48Å; L1428-I1446 HydrophobicContact CD1-CD1 4.38Å; L1428-I1446 HydrophobicContact CD1-CG2 4.02Å; L1428-I1446 HydrophobicContact CD2-CD1 3.77Å; L1428-V1448 HydrophobicContact CD1-CG2 3.89Å; L1428-F1459 HydrophobicContact CB-CD1 3.41Å; L1428-F1459 VanDerWaalsContact CB-CD1 3.41Å; L1428-F1459 HydrophobicContact CB-CD2 4.37Å; L1428-F1459 HydrophobicContact CB-CE1 3.49Å; L1428-F1459 VanDerWaalsContact CB-CE1 3.49Å; L1428-F1459 HydrophobicContact CB-CE2 4.43Å; L1428-F1459 HydrophobicContact CB-CG 3.88Å; L1428-F1459 HydrophobicContact CB-CZ 4.02Å; L1428-F1459 HydrophobicContact CD1-CB 4.28Å; L1428-F1459 HydrophobicContact CD1-CD1 4.18Å; L1428-F1459 HydrophobicContact CD1-CD2 3.64Å; L1428-F1459 HydrophobicContact CD1-CE1 4.44Å; L1428-F1459 HydrophobicContact CD1-CE2 3.92Å; L1428-F1459 HydrophobicContact CD1-CG 3.77Å; L1428-F1459 HydrophobicContact CD1-CZ 4.32Å; L1428-F1459 HydrophobicContact CG-CD1 4.42Å; L1428-F1459 HydrophobicContact CG-CG 4.43Å; L1428-L1478 HydrophobicContact CD2-CD1 4.24Å; L1428-L1478 HydrophobicContact CD2-CG 4.45Å; L1428-L1478 PolarHBondContact N-O 3.15Å; L1428-L1478 PolarHBondContact O-N 2.84Å |
| 1429 | Q | 91.4 | Very high | 87.3 | Confident | 21 Ų | 21 | 31.1 Ų | 31.1 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 135.6 | 169.3 | -81.2 | 172.3 | -34.9 | 0 | 0 | 109.7 | W1393 I1394 K1395 H1397 R1476 I1477 A1850 | W1393-Q1429 HydrophobicContact CH2-CB 4.32Å; W1393-Q1429 HydrophobicContact CZ3-CB 3.97Å; I1394-Q1429 CarbonylContact C-O 3.28Å; I1394-Q1429 WeakPolarHBondContact CA-O 3.06Å; K1395-Q1429 HydrophobicContact CB-CB 4.26Å; K1395-Q1429 PolarHBondContact N-O 3.24Å; K1395-Q1429 PolarHBondContact O-N 3.4Å; H1397-Q1429 WeakPolarHBondContact CE1-CB 3.27Å; H1397-Q1429 WeakPolarHBondContact CE1-CG 3.41Å; H1397-Q1429 PolarHBondContact CE1-OE1 3.43Å; H1397-Q1429 PolarHBondContact NE2-OE1 3.3Å; Q1429-R1476 WeakPolarHBondContact CA-O 3.37Å; Q1429-I1477 HydrophobicContact CG-CB 4.47Å; Q1429-I1477 HydrophobicContact CG-CG1 3.68Å; Q1429-A1850 PolarHBondContact NE2-O 2.81Å |
| 1430 | I | 92.1 | Very high | 87 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 142.5 | 173.7 | -170.9 | 163.3 | 0 | 0 | 0 | 109.8 | I1376 W1393 I1394 I1408 L1428 W1441 I1443 I1446 F1465 E1475 R1476 L1478 | I1376-I1430 HydrophobicContact CD1-CD1 4.39Å; W1393-I1430 WeakPolarHBondContact O-CA 3.26Å; W1393-I1430 WeakPolarHBondContact O-CG1 3.23Å; I1394-I1430 HydrophobicContact CD1-CD1 4.22Å; I1394-I1430 HydrophobicContact CG1-CB 4.37Å; I1394-I1430 HydrophobicContact CG1-CD1 4.41Å; I1394-I1430 HydrophobicContact CG1-CG1 4.45Å; I1408-I1430 HydrophobicContact CD1-CD1 4.01Å; I1408-I1430 HydrophobicContact CD1-CG1 4.38Å; L1428-I1430 HydrophobicContact CD2-CB 3.96Å; L1428-I1430 HydrophobicContact CD2-CG2 4.25Å; I1430-W1441 HydrophobicContact CD1-CH2 3.76Å; I1430-W1441 HydrophobicContact CD1-CZ3 4.13Å; I1430-W1441 HydrophobicContact CG1-CH2 4.23Å; I1430-W1441 HydrophobicContact CG1-CZ3 4.13Å; I1430-I1443 HydrophobicContact CD1-CD1 3.66Å; I1430-I1443 HydrophobicContact CG1-CD1 4.42Å; I1430-I1446 HydrophobicContact CD1-CD1 3.46Å; I1430-I1446 VanDerWaalsContact CD1-CD1 3.46Å; I1430-I1446 HydrophobicContact CG2-CD1 4.47Å; I1430-F1465 HydrophobicContact CG2-CE1 4.06Å; I1430-F1465 HydrophobicContact CG2-CZ 3.75Å; I1430-E1475 CarbonylContact O-C 3.5Å; I1430-E1475 VanDerWaalsContact O-CA 3.32Å; I1430-E1475 WeakPolarHBondContact O-CA 3.36Å; I1430-R1476 PolarHBondContact N-O 2.84Å; I1430-R1476 PolarHBondContact O-N 2.91Å; I1430-L1478 HydrophobicContact CG2-CD1 4.15Å; I1430-L1478 HydrophobicContact CG2-CG 4.23Å |
| 1431 | G | 89.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | -177 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1392 W1393 L1474 | A1392-G1431 CarbonylContact C-O 3.54Å; A1392-G1431 VanDerWaalsContact CA-O 3.32Å; A1392-G1431 WeakPolarHBondContact CA-O 3.49Å; W1393-G1431 PolarHBondContact N-O 3.33Å; W1393-G1431 PolarHBondContact O-N 3.05Å; G1431-L1474 CarbonylContact C-O 3.56Å; G1431-L1474 WeakPolarHBondContact CA-O 3.44Å |
| 1432 | H | 90.7 | Very high | 86.5 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 162.2 | 177.8 | 72.1 | 107.8 | 0 | 0 | 0 | 111.8 | A1390 N1391 A1392 N1434 P1439 F1465 G1466 A1473 L1474 | A1390-H1432 HydrophobicContact CB-CB 3.85Å; A1390-H1432 WeakPolarHBondContact CB-ND1 3.42Å; N1391-H1432 WeakPolarHBondContact O-CA 3.18Å; A1392-H1432 HydrophobicContact CB-CB 4.39Å; H1432-N1434 VanDerWaalsContact C-N 3.33Å; H1432-N1434 WeakPolarHBondContact CE1-CA 3.35Å; H1432-N1434 VanDerWaalsContact CE1-CG 3.43Å; H1432-N1434 PolarHBondContact CE1-OD1 2.82Å; H1432-N1434 WeakPolarHBondContact ND1-CA 3.41Å; H1432-N1434 PolarHBondContact ND1-N 3.44Å; H1432-N1434 PolarHBondContact O-N 3.27Å; H1432-P1439 VanDerWaalsContact CE1-CB 3.43Å; H1432-P1439 WeakPolarHBondContact CE1-CB 3.46Å; H1432-P1439 PolarHBondContact CE1-O 3.21Å; H1432-P1439 PolarHBondContact ND1-O 3.24Å; H1432-F1465 VanDerWaalsContact NE2-CA 3.27Å; H1432-F1465 WeakPolarHBondContact NE2-CA 3.36Å; H1432-F1465 WeakPolarHBondContact NE2-CB 3.49Å; H1432-F1465 PolarHBondContact NE2-O 2.95Å; H1432-G1466 WeakPolarHBondContact CE1-CA 3.31Å; H1432-G1466 WeakPolarHBondContact NE2-CA 3.21Å; H1432-G1466 PolarHBondContact NE2-N 3.27Å; H1432-A1473 PolarHBondContact NE2-O 3.06Å; H1432-L1474 PolarHBondContact CD2-O 3.27Å; H1432-L1474 PolarHBondContact N-O 3.4Å; H1432-L1474 VanDerWaalsContact NE2-CD2 3.29Å; H1432-L1474 WeakPolarHBondContact NE2-CD2 3.24Å |
| 1433 | D | 89 | Confident | 86.3 | Confident | 73 Ų | 73 | 30 Ų | 30 | 39% | 0.39 | 18% | 0.184 | S | C | . | . | trans | -86.7 | 6.2 | -176.8 | 70.6 | -4.5 | 0 | 0 | 0 | 115.2 | N1391 T1435 | N1391-D1433 WeakPolarHBondContact CB-OD2 3.46Å; N1391-D1433 PolarHBondContact N-OD1 3.24Å; N1391-D1433 PolarHBondContact ND2-OD2 3.07Å; N1391-D1433 PolarHBondContact O-N 3.46Å; D1433-T1435 HydrophobicContact CB-CG2 4.3Å; D1433-T1435 VanDerWaalsContact CG-OG1 3.26Å; D1433-T1435 PolarHBondContact O-N 2.95Å; D1433-T1435 WeakPolarHBondContact OD1-CB 3.32Å; D1433-T1435 WeakPolarHBondContact OD1-CG2 3.42Å; D1433-T1435 PolarHBondContact OD1-N 3.42Å; D1433-T1435 PolarHBondContact OD1-OG1 3.05Å; D1433-T1435 VanDerWaalsContact OD2-CG2 3.27Å; D1433-T1435 WeakPolarHBondContact OD2-CG2 3.42Å; D1433-T1435 PolarHBondContact OD2-OG1 3.46Å | ||
| 1434 | N | 87.5 | Confident | 86.2 | Confident | 43 Ų | 43 | 31.2 Ų | 31.2 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | trans | 56.9 | 25.8 | -176.7 | -159.4 | 86.6 | 0 | 0 | 0 | 114.9 | H1432 P1439 G1466 L1467 L1474 | H1432-N1434 VanDerWaalsContact C-N 3.33Å; H1432-N1434 WeakPolarHBondContact CE1-CA 3.35Å; H1432-N1434 VanDerWaalsContact CE1-CG 3.43Å; H1432-N1434 PolarHBondContact CE1-OD1 2.82Å; H1432-N1434 WeakPolarHBondContact ND1-CA 3.41Å; H1432-N1434 PolarHBondContact ND1-N 3.44Å; H1432-N1434 PolarHBondContact O-N 3.27Å; N1434-P1439 HydrophobicContact CB-CB 4.37Å; N1434-G1466 WeakPolarHBondContact OD1-CA 3.34Å; N1434-L1467 PolarHBondContact OD1-N 3.28Å; N1434-L1474 HydrophobicContact CB-CD1 3.98Å; N1434-L1474 HydrophobicContact CB-CD2 3.72Å; N1434-L1474 WeakPolarHBondContact OD1-CD2 3.35Å | ||
| 1435 | T | 85.1 | Confident | 86.3 | Confident | 57 Ų | 57 | 30.1 Ų | 30.1 | 35% | 0.35 | 18% | 0.184 | S | C | . | . | trans | -86.2 | 165 | 179.3 | 61.7 | 0 | 0 | 0 | 0 | 114.8 | T1389 A1390 N1391 D1433 | T1389-T1435 CarbonylContact C-O 3.58Å; T1389-T1435 PolarHBondContact OG1-O 2.96Å; A1390-T1435 VanDerWaalsContact CA-O 3.25Å; A1390-T1435 WeakPolarHBondContact CA-O 3.17Å; A1390-T1435 PolarHBondContact N-O 3.14Å; N1391-T1435 PolarHBondContact ND2-OG1 3.37Å; D1433-T1435 HydrophobicContact CB-CG2 4.3Å; D1433-T1435 VanDerWaalsContact CG-OG1 3.26Å; D1433-T1435 PolarHBondContact O-N 2.95Å; D1433-T1435 WeakPolarHBondContact OD1-CB 3.32Å; D1433-T1435 WeakPolarHBondContact OD1-CG2 3.42Å; D1433-T1435 PolarHBondContact OD1-N 3.42Å; D1433-T1435 PolarHBondContact OD1-OG1 3.05Å; D1433-T1435 VanDerWaalsContact OD2-CG2 3.27Å; D1433-T1435 WeakPolarHBondContact OD2-CG2 3.42Å; D1433-T1435 PolarHBondContact OD2-OG1 3.46Å | ||
| 1436 | G | 83.4 | Confident | 86.5 | Confident | 58 Ų | 58 | 29.7 Ų | 29.7 | 60% | 0.598 | 18% | 0.181 | S | C | * | . | S | Bend | trans | 81.1 | -173.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | T1389 | T1389-G1436 VanDerWaalsContact OG1-C 3.28Å; T1389-G1436 VanDerWaalsContact OG1-CA 3.32Å; T1389-G1436 WeakPolarHBondContact OG1-CA 3.36Å |
| 1437 | S | 81.6 | Confident | 87 | Confident | 120 Ų | 120 | 29.3 Ų | 29.3 | 84% | 0.839 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -84.2 | -18.1 | -171.9 | 51.6 | 0 | 0 | 0 | 0 | 114.6 | T1389 | T1389-S1437 PolarHBondContact OG1-N 2.79Š|
| 1438 | A | 82.3 | Confident | 87.3 | Confident | 37 Ų | 37 | 29.3 Ų | 29.3 | 31% | 0.306 | 18% | 0.179 | S | C | . | . | trans | -140 | 69.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | S1388 T1389 K1440 | S1388-A1438 WeakPolarHBondContact CA-O 3.16Å; S1388-A1438 PolarHBondContact OG-O 3.45Å; T1389-A1438 HydrophobicContact CG2-CB 4.15Å; T1389-A1438 PolarHBondContact N-O 3.37Å; T1389-A1438 PolarHBondContact OG1-N 3.26Å; T1389-A1438 PolarHBondContact OG1-O 2.68Å; A1438-K1440 PolarHBondContact O-N 2.73Å; A1438-K1440 VanDerWaalsContact O-N 3.17Å | ||
| 1439 | P | 82.8 | Confident | 87.3 | Confident | 20 Ų | 20 | 29.8 Ų | 29.8 | 13% | 0.13 | 18% | 0.181 | C | C | . | . | trans | -71.5 | -4.8 | -178.5 | 29.2 | -36.1 | 0 | 0 | 0 | 114.1 | S1388 A1390 H1432 N1434 W1441 | S1388-P1439 VanDerWaalsContact OG-CA 3.31Å; S1388-P1439 WeakPolarHBondContact OG-CA 3.25Å; S1388-P1439 PolarHBondContact OG-O 2.94Å; A1390-P1439 HydrophobicContact CB-CB 4.13Å; H1432-P1439 VanDerWaalsContact CE1-CB 3.43Å; H1432-P1439 WeakPolarHBondContact CE1-CB 3.46Å; H1432-P1439 PolarHBondContact CE1-O 3.21Å; H1432-P1439 PolarHBondContact ND1-O 3.24Å; N1434-P1439 HydrophobicContact CB-CB 4.37Å; P1439-W1441 PolarHBondContact O-N 3.4Å | ||
| 1440 | K | 83.8 | Confident | 87.2 | Confident | 94 Ų | 94 | 28.9 Ų | 28.9 | 41% | 0.409 | 18% | 0.177 | S | C | . | . | trans | -77.4 | 120.8 | -174.6 | -62.6 | -176.7 | 172.2 | -157.6 | 0 | 110.1 | A1438 W1464 F1465 L1467 G1468 V1469 | A1438-K1440 PolarHBondContact O-N 2.73Å; A1438-K1440 VanDerWaalsContact O-N 3.17Å; K1440-W1464 HydrophobicContact CB-CE3 4.29Å; K1440-W1464 HydrophobicContact CB-CZ3 4.16Å; K1440-F1465 WeakPolarHBondContact CA-O 3.46Å; K1440-L1467 VanDerWaalsContact CE-O 3.27Å; K1440-L1467 WeakPolarHBondContact CE-O 3.34Å; K1440-G1468 PolarHBondContact NZ-O 3.49Å; K1440-V1469 HydrophobicContact CB-CG2 4.33Å; K1440-V1469 HydrophobicContact CD-CG2 3.34Å; K1440-V1469 HydrophobicContact CG-CG2 3.68Å | ||
| 1441 | W | 84.7 | Confident | 86.8 | Confident | 16 Ų | 16 | 35 Ų | 35 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 141.3 | -175.2 | -164.3 | 10.6 | 0 | 0 | 0 | 110.5 | I1376 N1378 A1392 I1408 I1430 P1439 I1443 W1464 F1465 | I1376-W1441 HydrophobicContact CG2-CZ2 4.12Å; N1378-W1441 PolarHBondContact OD1-NE1 3.29Å; A1392-W1441 HydrophobicContact CB-CE3 4.23Å; A1392-W1441 HydrophobicContact CB-CH2 3.6Å; A1392-W1441 HydrophobicContact CB-CZ3 3.41Å; A1392-W1441 VanDerWaalsContact CB-CZ3 3.41Å; I1408-W1441 HydrophobicContact CD1-CH2 3.84Å; I1430-W1441 HydrophobicContact CD1-CH2 3.76Å; I1430-W1441 HydrophobicContact CD1-CZ3 4.13Å; I1430-W1441 HydrophobicContact CG1-CH2 4.23Å; I1430-W1441 HydrophobicContact CG1-CZ3 4.13Å; P1439-W1441 PolarHBondContact O-N 3.4Å; W1441-I1443 HydrophobicContact CD2-CD1 3.97Å; W1441-I1443 HydrophobicContact CD2-CG1 4Å; W1441-I1443 HydrophobicContact CE3-CD1 4.05Å; W1441-I1443 HydrophobicContact CG-CG1 4.35Å; W1441-I1443 HydrophobicContact CH2-CD1 3.75Å; W1441-I1443 HydrophobicContact CZ2-CD1 3.64Å; W1441-I1443 HydrophobicContact CZ2-CG1 4.02Å; W1441-I1443 HydrophobicContact CZ3-CD1 3.93Å; W1441-W1464 CarbonylContact O-C 3.56Å; W1441-W1464 VanDerWaalsContact O-CA 3.27Å; W1441-W1464 WeakPolarHBondContact O-CA 3.37Å; W1441-F1465 HydrophobicContact CB-CB 4.35Å; W1441-F1465 PolarHBondContact N-O 3.28Å; W1441-F1465 PolarHBondContact O-N 2.97Å |
| 1442 | F | 85.3 | Confident | 86.5 | Confident | 43 Ų | 43 | 36.1 Ų | 36.1 | 19% | 0.189 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 118.6 | 172.3 | -177.3 | -99.4 | 0 | 0 | 0 | 110.6 | G1379 E1444 Q1463 W1464 | G1379-F1442 PolarHBondContact N-O 2.7Å; F1442-E1444 HydrophobicContact CD1-CG 4.43Å; F1442-E1444 HydrophobicContact CE1-CG 3.74Å; F1442-Q1463 VanDerWaalsContact CD2-C 3.45Å; F1442-Q1463 WeakPolarHBondContact CD2-O 3.27Å; F1442-W1464 HydrophobicContact CB-CD2 3.78Å; F1442-W1464 HydrophobicContact CB-CE3 3.81Å; F1442-W1464 HydrophobicContact CB-CG 4.41Å; F1442-W1464 HydrophobicContact CB-CH2 3.93Å; F1442-W1464 HydrophobicContact CB-CZ2 3.9Å; F1442-W1464 HydrophobicContact CB-CZ3 3.88Å; F1442-W1464 AromaticContact CD2-CD1 3.48Å; F1442-W1464 VanDerWaalsContact CD2-CD1 3.48Å; F1442-W1464 AromaticContact CD2-CD2 3.9Å; F1442-W1464 HydrophobicContact CD2-CD2 3.9Å; F1442-W1464 AromaticContact CD2-CE2 3.72Å; F1442-W1464 AromaticContact CD2-CG 3.76Å; F1442-W1464 HydrophobicContact CD2-CG 3.76Å; F1442-W1464 HydrophobicContact CD2-CZ2 4.42Å; F1442-W1464 AromaticContact CD2-NE1 3.45Å; F1442-W1464 HydrophobicContact CG-CD2 4.25Å; F1442-W1464 AromaticContact CG-CE2 3.99Å; F1442-W1464 HydrophobicContact CG-CZ2 4.27Å |
| 1443 | I | 85 | Confident | 86.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 129.3 | 179.4 | -55.9 | 177.7 | 0 | 0 | 0 | 107.9 | I1376 I1430 W1441 I1446 C1461 Y1462 Q1463 F1465 | I1376-I1443 HydrophobicContact CG2-CD1 4.35Å; I1376-I1443 HydrophobicContact CG2-CG1 4.47Å; I1376-I1443 HydrophobicContact CG2-CG2 4.19Å; I1430-I1443 HydrophobicContact CD1-CD1 3.66Å; I1430-I1443 HydrophobicContact CG1-CD1 4.42Å; W1441-I1443 HydrophobicContact CD2-CD1 3.97Å; W1441-I1443 HydrophobicContact CD2-CG1 4Å; W1441-I1443 HydrophobicContact CE3-CD1 4.05Å; W1441-I1443 HydrophobicContact CG-CG1 4.35Å; W1441-I1443 HydrophobicContact CH2-CD1 3.75Å; W1441-I1443 HydrophobicContact CZ2-CD1 3.64Å; W1441-I1443 HydrophobicContact CZ2-CG1 4.02Å; W1441-I1443 HydrophobicContact CZ3-CD1 3.93Å; I1443-I1446 HydrophobicContact CG2-CG1 4.07Å; I1443-C1461 HydrophobicContact CB-CB 4.12Å; I1443-C1461 HydrophobicContact CG2-CB 3.96Å; I1443-Y1462 VanDerWaalsContact O-CA 3.26Å; I1443-Y1462 WeakPolarHBondContact O-CA 3.4Å; I1443-Y1462 PolarHBondContact O-N 2.96Å; I1443-Q1463 PolarHBondContact N-O 2.94Å; I1443-Q1463 PolarHBondContact O-N 3.29Å; I1443-F1465 HydrophobicContact CB-CE2 4.35Å; I1443-F1465 HydrophobicContact CD1-CD2 4.43Å; I1443-F1465 HydrophobicContact CD1-CE2 3.76Å; I1443-F1465 HydrophobicContact CD1-CZ 4.22Å; I1443-F1465 HydrophobicContact CG1-CE2 4.07Å |
| 1444 | E | 84 | Confident | 86.1 | Confident | 29 Ų | 29 | 34.4 Ų | 34.4 | 14% | 0.136 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -58.2 | 170.5 | -72.1 | -177.6 | -176.9 | 0 | 0 | 109.3 | M1263 C1377 G1379 F1442 C1461 Y1462 | M1263-E1444 WeakPolarHBondContact CE-OE2 3.41Å; C1377-E1444 PolarHBondContact O-N 3.22Å; G1379-E1444 WeakPolarHBondContact CA-OE1 3.11Å; F1442-E1444 HydrophobicContact CD1-CG 4.43Å; F1442-E1444 HydrophobicContact CE1-CG 3.74Å; E1444-C1461 PolarHBondContact O-N 2.66Å; E1444-Y1462 HydrophobicContact CB-CD1 3.89Å; E1444-Y1462 HydrophobicContact CB-CE1 3.69Å; E1444-Y1462 HydrophobicContact CG-CD1 4.13Å; E1444-Y1462 HydrophobicContact CG-CE1 4.18Å; E1444-Y1462 WeakPolarHBondContact O-CD2 3.26Å; E1444-Y1462 WeakPolarHBondContact O-CE2 3.41Å; E1444-Y1462 PolarHBondContact O-N 3.46Å |
| 1445 | F | 88.5 | Confident | 85.9 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 168 | 178.6 | 58.3 | -91.7 | 0 | 0 | 0 | 111.4 | L1265 F1375 C1377 I1447 L1458 F1459 Y1462 F1494 | L1265-F1445 HydrophobicContact CD1-CZ 3.99Å; L1265-F1445 HydrophobicContact CD2-CE2 3.77Å; L1265-F1445 HydrophobicContact CD2-CZ 3.69Å; F1375-F1445 HydrophobicContact CD1-CE2 4.5Å; F1375-F1445 HydrophobicContact CE1-CE2 4.35Å; C1377-F1445 HydrophobicContact CB-CD1 4.05Å; C1377-F1445 HydrophobicContact CB-CD2 3.94Å; C1377-F1445 HydrophobicContact CB-CE1 3.74Å; C1377-F1445 HydrophobicContact CB-CE2 3.62Å; C1377-F1445 HydrophobicContact CB-CG 4.14Å; C1377-F1445 HydrophobicContact CB-CZ 3.51Å; C1377-F1445 WeakPolarHBondContact CB-O 3.39Å; C1377-F1445 PolarHBondContact N-O 3.23Å; F1445-I1447 HydrophobicContact CD2-CD1 4.28Å; F1445-I1447 HydrophobicContact CD2-CG1 3.96Å; F1445-I1447 HydrophobicContact CE2-CD1 3.82Å; F1445-I1447 HydrophobicContact CE2-CG1 4.01Å; F1445-L1458 HydrophobicContact CB-CD1 3.87Å; F1445-L1458 HydrophobicContact CD2-CD1 3.8Å; F1445-L1458 HydrophobicContact CG-CD1 3.99Å; F1445-F1459 WeakPolarHBondContact CA-O 3.44Å; F1445-Y1462 HydrophobicContact CD1-CE1 4.43Å; F1445-F1494 HydrophobicContact CD1-CZ 4.48Å; F1445-F1494 HydrophobicContact CE1-CE2 4.26Å; F1445-F1494 HydrophobicContact CE1-CZ 4.19Å; F1445-F1494 HydrophobicContact CE2-CE2 4.48Å; F1445-F1494 HydrophobicContact CE2-CZ 4.21Å; F1445-F1494 AromaticContact CZ-CE2 3.99Å; F1445-F1494 HydrophobicContact CZ-CE2 3.99Å; F1445-F1494 HydrophobicContact CZ-CZ 4.05Å |
| 1446 | I | 91.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 140.7 | 171.6 | -54 | 174.7 | 0 | 0 | 0 | 108.4 | I1374 F1375 I1376 I1394 L1428 I1430 I1443 V1448 F1459 L1478 | I1374-I1446 HydrophobicContact CG2-CG2 3.64Å; F1375-I1446 CarbonylContact O-C 3.59Å; F1375-I1446 VanDerWaalsContact O-CA 3.26Å; F1375-I1446 WeakPolarHBondContact O-CA 3.29Å; F1375-I1446 WeakPolarHBondContact O-CG2 3.38Å; I1376-I1446 HydrophobicContact CG1-CD1 4.44Å; I1376-I1446 HydrophobicContact CG1-CG1 4.26Å; I1376-I1446 HydrophobicContact CG1-CG2 4.21Å; I1376-I1446 HydrophobicContact CG2-CG1 4.28Å; I1394-I1446 HydrophobicContact CD1-CD1 4.26Å; L1428-I1446 HydrophobicContact CD1-CB 4.48Å; L1428-I1446 HydrophobicContact CD1-CD1 4.38Å; L1428-I1446 HydrophobicContact CD1-CG2 4.02Å; L1428-I1446 HydrophobicContact CD2-CD1 3.77Å; I1430-I1446 HydrophobicContact CD1-CD1 3.46Å; I1430-I1446 VanDerWaalsContact CD1-CD1 3.46Å; I1430-I1446 HydrophobicContact CG2-CD1 4.47Å; I1443-I1446 HydrophobicContact CG2-CG1 4.07Å; I1446-V1448 HydrophobicContact CG2-CG2 4.45Å; I1446-F1459 HydrophobicContact CB-CB 4.22Å; I1446-F1459 PolarHBondContact N-O 3.25Å; I1446-F1459 PolarHBondContact O-N 3.5Å; I1446-L1478 HydrophobicContact CD1-CD1 3.89Å; I1446-L1478 HydrophobicContact CG1-CD1 4.36Å |
| 1447 | I | 91.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.9 | 171 | -62.2 | 173 | 0 | 0 | 0 | 108 | L1265 L1267 F1271 I1374 F1375 F1445 F1456 Y1457 L1458 L1492 | L1265-I1447 HydrophobicContact CD2-CD1 3.83Å; L1267-I1447 HydrophobicContact CD2-CD1 4.26Å; F1271-I1447 HydrophobicContact CE2-CG2 4.34Å; F1271-I1447 HydrophobicContact CZ-CB 4.48Å; F1271-I1447 HydrophobicContact CZ-CG2 4.09Å; I1374-I1447 CarbonylContact C-O 3.54Å; I1374-I1447 WeakPolarHBondContact CA-O 3.37Å; F1375-I1447 HydrophobicContact CB-CB 4.5Å; F1375-I1447 PolarHBondContact N-O 3.1Å; F1375-I1447 PolarHBondContact O-N 3.12Å; F1445-I1447 HydrophobicContact CD2-CD1 4.28Å; F1445-I1447 HydrophobicContact CD2-CG1 3.96Å; F1445-I1447 HydrophobicContact CE2-CD1 3.82Å; F1445-I1447 HydrophobicContact CE2-CG1 4.01Å; I1447-F1456 HydrophobicContact CG2-CD1 4.08Å; I1447-Y1457 WeakPolarHBondContact CA-O 3.48Å; I1447-L1458 HydrophobicContact CG1-CD1 4.09Å; I1447-L1492 HydrophobicContact CD1-CD1 3.7Å |
| 1448 | V | 92.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.6 | 170.6 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | Y1372 E1373 I1374 I1396 L1425 L1428 I1446 F1456 Y1457 F1459 | Y1372-V1448 HydrophobicContact CD1-CG1 4.22Å; E1373-V1448 CarbonylContact O-C 3.55Å; E1373-V1448 WeakPolarHBondContact O-CA 3.18Å; I1374-V1448 HydrophobicContact CG1-CG1 4.43Å; I1374-V1448 HydrophobicContact CG1-CG2 4.37Å; I1374-V1448 HydrophobicContact CG2-CG2 4.36Å; I1396-V1448 HydrophobicContact CD1-CG1 4.11Å; I1396-V1448 HydrophobicContact CD1-CG2 3.93Å; L1425-V1448 HydrophobicContact CD1-CB 3.94Å; L1425-V1448 HydrophobicContact CD1-CG1 3.57Å; L1428-V1448 HydrophobicContact CD1-CG2 3.89Å; I1446-V1448 HydrophobicContact CG2-CG2 4.45Å; V1448-F1456 CarbonylContact O-C 3.53Å; V1448-F1456 WeakPolarHBondContact O-CA 3.35Å; V1448-Y1457 PolarHBondContact N-O 3.36Å; V1448-Y1457 PolarHBondContact O-N 3.21Å; V1448-F1459 HydrophobicContact CB-CE2 4.07Å; V1448-F1459 HydrophobicContact CG2-CD2 3.91Å; V1448-F1459 HydrophobicContact CG2-CE2 3.61Å |
| 1449 | H | 90.7 | Very high | 87 | Confident | 9 Ų | 9 | 20.5 Ų | 20.5 | 4% | 0.042 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 132.8 | 178.3 | 173.4 | -141.6 | 0 | 0 | 0 | 110.9 | F1271 F1275 Y1372 E1373 N1454 H1455 F1456 | F1271-H1449 HydrophobicContact CE1-CB 4.31Å; F1271-H1449 HydrophobicContact CZ-CB 4.48Å; F1275-H1449 AromaticContact CE2-CE1 3.82Å; Y1372-H1449 CarbonylContact C-O 3.48Å; Y1372-H1449 WeakPolarHBondContact CA-O 3.34Å; E1373-H1449 HydrophobicContact CB-CB 4.39Å; E1373-H1449 PolarHBondContact N-O 3.3Å; E1373-H1449 PolarHBondContact O-N 2.98Å; H1449-N1454 PolarHBondContact NE2-OD1 3.05Å; H1449-H1455 WeakPolarHBondContact CA-O 3.26Å; H1449-F1456 HydrophobicContact CB-CD1 3.84Å; H1449-F1456 HydrophobicContact CB-CE1 3.56Å; H1449-F1456 HydrophobicContact CB-CZ 4.34Å; H1449-F1456 AromaticContact CD2-CD1 3.85Å; H1449-F1456 AromaticContact CD2-CE1 3.18Å; H1449-F1456 WeakPolarHBondContact CD2-CE1 3.29Å; H1449-F1456 AromaticContact CD2-CE2 3.59Å; H1449-F1456 AromaticContact CD2-CZ 3.03Å; H1449-F1456 WeakPolarHBondContact CD2-CZ 3.34Å; H1449-F1456 AromaticContact CE1-CZ 3.95Å; H1449-F1456 AromaticContact CG-CE1 3.39Å; H1449-F1456 AromaticContact CG-CZ 3.68Å; H1449-F1456 AromaticContact NE2-CE1 3.81Å; H1449-F1456 AromaticContact NE2-CE2 3.83Å; H1449-F1456 AromaticContact NE2-CZ 3.23Å; H1449-F1456 WeakPolarHBondContact NE2-CZ 3.47Å |
| 1450 | N | 89.5 | Confident | 87 | Confident | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.016 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 108 | 166.2 | 177.6 | -23.2 | 0 | 0 | 0 | 108.9 | I1370 Y1372 V1452 T1453 N1454 H1455 | I1370-N1450 VanDerWaalsContact CG2-OD1 3.3Å; I1370-N1450 WeakPolarHBondContact CG2-OD1 3.44Å; Y1372-N1450 HydrophobicContact CD1-CB 4.14Å; Y1372-N1450 HydrophobicContact CE1-CB 4.06Å; N1450-V1452 PolarHBondContact O-N 2.68Å; N1450-V1452 VanDerWaalsContact O-N 3.1Å; N1450-V1452 PolarHBondContact OD1-N 2.75Å; N1450-T1453 VanDerWaalsContact CG-OG1 3.26Å; N1450-T1453 PolarHBondContact ND2-OG1 3.45Å; N1450-T1453 PolarHBondContact OD1-N 3.47Å; N1450-N1454 VanDerWaalsContact O-CA 3.26Å; N1450-N1454 WeakPolarHBondContact O-CA 3.42Å; N1450-N1454 PolarHBondContact O-N 2.96Å; N1450-H1455 HydrophobicContact CB-CB 4.48Å; N1450-H1455 PolarHBondContact N-O 2.69Å |
| 1451 | R | 83 | Confident | 87 | Confident | 128 Ų | 128 | 17.3 Ų | 17.3 | 48% | 0.483 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -21.9 | -175.6 | -65.9 | -171.3 | 74.4 | 156.7 | -7.7 | 114.6 | I1371 E1373 E1416 | I1371-R1451 HydrophobicContact CB-CG 4.5Å; I1371-R1451 HydrophobicContact CG2-CG 4.18Å; I1371-R1451 PolarHBondContact O-N 3.12Å; E1373-R1451 HydrophobicContact CG-CG 4.06Å; E1373-R1451 VanDerWaalsContact OE1-CD 3.24Å; E1373-R1451 WeakPolarHBondContact OE1-CD 3.46Å; E1373-R1451 IonicContact OE1-CZ 3.87Å; E1373-R1451 VanDerWaalsContact OE1-CZ 3.25Å; E1373-R1451 IonicContact OE1-NE 2.65Å; E1373-R1451 PolarHBondContact OE1-NE 3.47Å; E1373-R1451 IonicContact OE1-NH1 2.66Å; E1373-R1451 PolarHBondContact OE1-NH1 2.83Å; E1416-R1451 IonicContact OE2-NH1 3.55Å |
| 1452 | V | 84.6 | Confident | 86.9 | Confident | 23 Ų | 23 | 17.9 Ų | 17.9 | 14% | 0.139 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -50 | -176.6 | -171.9 | 0 | 0 | 0 | 0 | 110.8 | M1290 L1306 F1361 I1370 N1450 | M1290-V1452 HydrophobicContact CE-CG1 3.93Å; L1306-V1452 WeakPolarHBondContact CD1-O 3.22Å; F1361-V1452 HydrophobicContact CE1-CG1 3.79Å; F1361-V1452 HydrophobicContact CZ-CG1 4.21Å; I1370-V1452 HydrophobicContact CG2-CG2 4.33Å; N1450-V1452 PolarHBondContact O-N 2.68Å; N1450-V1452 VanDerWaalsContact O-N 3.1Å; N1450-V1452 PolarHBondContact OD1-N 2.75Å |
| 1453 | T | 86.3 | Confident | 86.6 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -8.3 | -177.9 | 70.9 | 0 | 0 | 0 | 0 | 113.5 | F1361 N1450 H1455 | F1361-T1453 HydrophobicContact CD1-CG2 4.04Å; F1361-T1453 HydrophobicContact CE1-CG2 4.4Å; N1450-T1453 VanDerWaalsContact CG-OG1 3.26Å; N1450-T1453 PolarHBondContact ND2-OG1 3.45Å; N1450-T1453 PolarHBondContact OD1-N 3.47Å; T1453-H1455 PolarHBondContact O-N 2.92Å; T1453-H1455 VanDerWaalsContact OG1-CG 3.24Å; T1453-H1455 PolarHBondContact OG1-N 3.15Å; T1453-H1455 PolarHBondContact OG1-ND1 3.4Å |
| 1454 | N | 83.7 | Confident | 86.5 | Confident | 41 Ų | 41 | 22.2 Ų | 22.2 | 22% | 0.219 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 28.3 | -172.5 | -151.1 | 48.7 | 0 | 0 | 0 | 114.3 | H1449 N1450 F1456 | H1449-N1454 PolarHBondContact NE2-OD1 3.05Å; N1450-N1454 VanDerWaalsContact O-CA 3.26Å; N1450-N1454 WeakPolarHBondContact O-CA 3.42Å; N1450-N1454 PolarHBondContact O-N 2.96Å; N1454-F1456 VanDerWaalsContact O-CD2 3.26Å; N1454-F1456 WeakPolarHBondContact O-CD2 3.38Å; N1454-F1456 WeakPolarHBondContact O-CE2 3.48Å |
| 1455 | H | 85.2 | Confident | 86.3 | Confident | 16 Ų | 16 | 20.9 Ų | 20.9 | 7% | 0.074 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 142 | 172 | -66.7 | 170.6 | 0 | 0 | 0 | 111.3 | E1309 F1359 H1449 N1450 T1453 Y1457 | E1309-H1455 IonicContact OE1-CE1 3.63Å; E1309-H1455 PolarHBondContact OE1-CE1 2.98Å; E1309-H1455 IonicContact OE1-NE2 2.69Å; F1359-H1455 AromaticContact CD1-CE1 3.81Å; F1359-H1455 AromaticContact CE1-CE1 3.73Å; H1449-H1455 WeakPolarHBondContact CA-O 3.26Å; N1450-H1455 HydrophobicContact CB-CB 4.48Å; N1450-H1455 PolarHBondContact N-O 2.69Å; T1453-H1455 PolarHBondContact O-N 2.92Å; T1453-H1455 VanDerWaalsContact OG1-CG 3.24Å; T1453-H1455 PolarHBondContact OG1-N 3.15Å; T1453-H1455 PolarHBondContact OG1-ND1 3.4Å; H1455-Y1457 HydrophobicContact CB-CE2 3.68Å; H1455-Y1457 PolarHBondContact ND1-OH 3.47Å |
| 1456 | F | 87.8 | Confident | 86 | Confident | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.009 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 140.2 | 177.3 | -66.4 | -90.6 | 0 | 0 | 0 | 110.1 | F1275 I1447 V1448 H1449 N1454 Q1482 I1483 I1485 | F1275-F1456 HydrophobicContact CE1-CZ 4.12Å; F1275-F1456 AromaticContact CE2-CE1 3.62Å; F1275-F1456 HydrophobicContact CE2-CE1 3.62Å; F1275-F1456 AromaticContact CE2-CZ 3.46Å; F1275-F1456 HydrophobicContact CE2-CZ 3.46Å; F1275-F1456 VanDerWaalsContact CE2-CZ 3.46Å; F1275-F1456 AromaticContact CZ-CE1 3.35Å; F1275-F1456 HydrophobicContact CZ-CE1 3.35Å; F1275-F1456 HydrophobicContact CZ-CE2 4.27Å; F1275-F1456 AromaticContact CZ-CZ 3.15Å; F1275-F1456 HydrophobicContact CZ-CZ 3.15Å; I1447-F1456 HydrophobicContact CG2-CD1 4.08Å; V1448-F1456 CarbonylContact O-C 3.53Å; V1448-F1456 WeakPolarHBondContact O-CA 3.35Å; H1449-F1456 HydrophobicContact CB-CD1 3.84Å; H1449-F1456 HydrophobicContact CB-CE1 3.56Å; H1449-F1456 HydrophobicContact CB-CZ 4.34Å; H1449-F1456 AromaticContact CD2-CD1 3.85Å; H1449-F1456 AromaticContact CD2-CE1 3.18Å; H1449-F1456 WeakPolarHBondContact CD2-CE1 3.29Å; H1449-F1456 AromaticContact CD2-CE2 3.59Å; H1449-F1456 AromaticContact CD2-CZ 3.03Å; H1449-F1456 WeakPolarHBondContact CD2-CZ 3.34Å; H1449-F1456 AromaticContact CE1-CZ 3.95Å; H1449-F1456 AromaticContact CG-CE1 3.39Å; H1449-F1456 AromaticContact CG-CZ 3.68Å; H1449-F1456 AromaticContact NE2-CE1 3.81Å; H1449-F1456 AromaticContact NE2-CE2 3.83Å; H1449-F1456 AromaticContact NE2-CZ 3.23Å; H1449-F1456 WeakPolarHBondContact NE2-CZ 3.47Å; N1454-F1456 VanDerWaalsContact O-CD2 3.26Å; N1454-F1456 WeakPolarHBondContact O-CD2 3.38Å; N1454-F1456 WeakPolarHBondContact O-CE2 3.48Å; F1456-Q1482 CarbonylContact O-C 3.57Å; F1456-Q1482 WeakPolarHBondContact O-CA 3.19Å; F1456-I1483 HydrophobicContact CB-CB 3.97Å; F1456-I1483 HydrophobicContact CB-CD1 4.07Å; F1456-I1483 HydrophobicContact CB-CG1 4.11Å; F1456-I1483 PolarHBondContact O-N 3.2Å; F1456-I1485 HydrophobicContact CD1-CD1 4.3Å; F1456-I1485 HydrophobicContact CD2-CD1 3.35Å; F1456-I1485 HydrophobicContact CD2-CG1 4.04Å; F1456-I1485 HydrophobicContact CE1-CD1 4.41Å; F1456-I1485 HydrophobicContact CE2-CD1 3.5Å; F1456-I1485 VanDerWaalsContact CE2-CD1 3.5Å; F1456-I1485 HydrophobicContact CE2-CG1 4.46Å; F1456-I1485 HydrophobicContact CG-CD1 3.79Å; F1456-I1485 HydrophobicContact CZ-CD1 4.04Å |
| 1457 | Y | 89.5 | Confident | 85.7 | Confident | 5 Ų | 5 | 25.3 Ų | 25.3 | 2% | 0.02 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 117.9 | 177.9 | -62 | -88.4 | 0 | 0 | 0 | 109.3 | L1424 L1425 I1447 V1448 H1455 E1481 Q1482 | L1424-Y1457 VanDerWaalsContact CD2-OH 3.24Å; L1424-Y1457 WeakPolarHBondContact CD2-OH 3.32Å; L1425-Y1457 HydrophobicContact CB-CD1 3.93Å; L1425-Y1457 HydrophobicContact CB-CD2 4.05Å; L1425-Y1457 HydrophobicContact CB-CE1 4.2Å; L1425-Y1457 HydrophobicContact CB-CE2 4.3Å; L1425-Y1457 HydrophobicContact CB-CG 3.87Å; L1425-Y1457 HydrophobicContact CD1-CD2 3.56Å; L1425-Y1457 HydrophobicContact CD1-CE2 4.11Å; L1425-Y1457 HydrophobicContact CD1-CG 3.98Å; L1425-Y1457 HydrophobicContact CG-CD2 3.76Å; L1425-Y1457 HydrophobicContact CG-CE2 3.87Å; L1425-Y1457 HydrophobicContact CG-CG 4.11Å; I1447-Y1457 WeakPolarHBondContact CA-O 3.48Å; V1448-Y1457 PolarHBondContact N-O 3.36Å; V1448-Y1457 PolarHBondContact O-N 3.21Å; H1455-Y1457 HydrophobicContact CB-CE2 3.68Å; H1455-Y1457 PolarHBondContact ND1-OH 3.47Å; Y1457-E1481 CarbonylContact C-O 3.55Å; Y1457-E1481 VanDerWaalsContact CA-O 3.3Å; Y1457-E1481 WeakPolarHBondContact CA-O 3.45Å; Y1457-Q1482 HydrophobicContact CD1-CB 3.9Å; Y1457-Q1482 HydrophobicContact CD1-CG 4.22Å; Y1457-Q1482 HydrophobicContact CE1-CB 3.61Å; Y1457-Q1482 HydrophobicContact CE1-CG 3.71Å; Y1457-Q1482 PolarHBondContact OH-OE1 3.22Å |
| 1458 | L | 88.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 131.2 | 171.5 | -176 | 65.7 | 0 | 0 | 0 | 108.9 | F1445 I1447 P1460 G1480 E1481 I1483 F1494 | F1445-L1458 HydrophobicContact CB-CD1 3.87Å; F1445-L1458 HydrophobicContact CD2-CD1 3.8Å; F1445-L1458 HydrophobicContact CG-CD1 3.99Å; I1447-L1458 HydrophobicContact CG1-CD1 4.09Å; L1458-P1460 HydrophobicContact CD2-CG 4.34Å; L1458-P1460 HydrophobicContact CG-CG 4.26Å; L1458-G1480 CarbonylContact O-C 3.46Å; L1458-G1480 WeakPolarHBondContact O-CA 3.49Å; L1458-E1481 PolarHBondContact N-O 3.44Å; L1458-E1481 PolarHBondContact O-N 3.12Å; L1458-I1483 HydrophobicContact CB-CD1 3.81Å; L1458-I1483 HydrophobicContact CB-CG1 3.85Å; L1458-F1494 HydrophobicContact CD1-CE1 4.29Å; L1458-F1494 HydrophobicContact CD1-CZ 4.25Å; L1458-F1494 HydrophobicContact CD2-CE1 4.1Å |
| 1459 | F | 89 | Confident | 84.2 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 94.6 | 171.2 | -66.1 | -89.7 | 0 | 0 | 0 | 108.1 | L1425 L1428 F1445 I1446 V1448 L1478 I1479 G1480 | L1425-F1459 HydrophobicContact CB-CZ 4.11Å; L1428-F1459 HydrophobicContact CB-CD1 3.41Å; L1428-F1459 VanDerWaalsContact CB-CD1 3.41Å; L1428-F1459 HydrophobicContact CB-CD2 4.37Å; L1428-F1459 HydrophobicContact CB-CE1 3.49Å; L1428-F1459 VanDerWaalsContact CB-CE1 3.49Å; L1428-F1459 HydrophobicContact CB-CE2 4.43Å; L1428-F1459 HydrophobicContact CB-CG 3.88Å; L1428-F1459 HydrophobicContact CB-CZ 4.02Å; L1428-F1459 HydrophobicContact CD1-CB 4.28Å; L1428-F1459 HydrophobicContact CD1-CD1 4.18Å; L1428-F1459 HydrophobicContact CD1-CD2 3.64Å; L1428-F1459 HydrophobicContact CD1-CE1 4.44Å; L1428-F1459 HydrophobicContact CD1-CE2 3.92Å; L1428-F1459 HydrophobicContact CD1-CG 3.77Å; L1428-F1459 HydrophobicContact CD1-CZ 4.32Å; L1428-F1459 HydrophobicContact CG-CD1 4.42Å; L1428-F1459 HydrophobicContact CG-CG 4.43Å; F1445-F1459 WeakPolarHBondContact CA-O 3.44Å; I1446-F1459 HydrophobicContact CB-CB 4.22Å; I1446-F1459 PolarHBondContact N-O 3.25Å; I1446-F1459 PolarHBondContact O-N 3.5Å; V1448-F1459 HydrophobicContact CB-CE2 4.07Å; V1448-F1459 HydrophobicContact CG2-CD2 3.91Å; V1448-F1459 HydrophobicContact CG2-CE2 3.61Å; F1459-L1478 HydrophobicContact CB-CB 3.93Å; F1459-L1478 HydrophobicContact CB-CD1 4.07Å; F1459-L1478 HydrophobicContact CD1-CB 4.2Å; F1459-I1479 VanDerWaalsContact CD1-C 3.46Å; F1459-G1480 VanDerWaalsContact CE1-N 3.31Å |
| 1460 | P | 82.5 | Confident | 83.6 | Confident | 36 Ų | 36 | 32.6 Ų | 32.6 | 23% | 0.234 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 143.9 | 177.4 | -21.9 | 34.9 | 0 | 0 | 0 | 111.5 | L1458 Y1462 I1479 P1518 | L1458-P1460 HydrophobicContact CD2-CG 4.34Å; L1458-P1460 HydrophobicContact CG-CG 4.26Å; P1460-Y1462 HydrophobicContact CB-CD2 4.25Å; P1460-Y1462 HydrophobicContact CB-CE2 4.05Å; P1460-I1479 WeakPolarHBondContact CD-O 3.46Å; P1460-P1518 HydrophobicContact CB-CB 3.82Å; P1460-P1518 HydrophobicContact CB-CG 3.85Å; P1460-P1518 HydrophobicContact CG-CB 4.06Å; P1460-P1518 HydrophobicContact CG-CG 3.64Å |
| 1461 | C | 84.6 | Confident | 83.2 | Confident | 10 Ų | 10 | 32.6 Ų | 32.6 | 7% | 0.068 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | -59.7 | 174.9 | -169.8 | 0 | 0 | 0 | 0 | 112.3 | I1443 E1444 Q1463 F1465 L1478 | I1443-C1461 HydrophobicContact CB-CB 4.12Å; I1443-C1461 HydrophobicContact CG2-CB 3.96Å; E1444-C1461 PolarHBondContact O-N 2.66Å; C1461-Q1463 VanDerWaalsContact O-CG 3.31Å; C1461-Q1463 WeakPolarHBondContact O-CG 3.44Å; C1461-Q1463 PolarHBondContact O-N 3.07Å; C1461-F1465 VanDerWaalsContact SG-CE2 3.59Å; C1461-L1478 HydrophobicContact CB-CD1 3.85Å; C1461-L1478 HydrophobicContact CB-CD2 3.96Å |
| 1462 | Y | 81.5 | Confident | 83.2 | Confident | 28 Ų | 28 | 29.3 Ų | 29.3 | 11% | 0.11 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 44 | 35.5 | 180 | -56.5 | -77.6 | 0 | 0 | 0 | 115.3 | I1443 E1444 F1445 P1460 P1518 S1521 | I1443-Y1462 VanDerWaalsContact O-CA 3.26Å; I1443-Y1462 WeakPolarHBondContact O-CA 3.4Å; I1443-Y1462 PolarHBondContact O-N 2.96Å; E1444-Y1462 HydrophobicContact CB-CD1 3.89Å; E1444-Y1462 HydrophobicContact CB-CE1 3.69Å; E1444-Y1462 HydrophobicContact CG-CD1 4.13Å; E1444-Y1462 HydrophobicContact CG-CE1 4.18Å; E1444-Y1462 WeakPolarHBondContact O-CD2 3.26Å; E1444-Y1462 WeakPolarHBondContact O-CE2 3.41Å; E1444-Y1462 PolarHBondContact O-N 3.46Å; F1445-Y1462 HydrophobicContact CD1-CE1 4.43Å; P1460-Y1462 HydrophobicContact CB-CD2 4.25Å; P1460-Y1462 HydrophobicContact CB-CE2 4.05Å; Y1462-P1518 HydrophobicContact CD2-CB 4.27Å; Y1462-P1518 HydrophobicContact CE2-CB 3.84Å; Y1462-P1518 HydrophobicContact CE2-CG 4.11Å; Y1462-P1518 WeakPolarHBondContact CE2-O 3.29Å; Y1462-S1521 WeakPolarHBondContact CB-OG 3.45Å; Y1462-S1521 WeakPolarHBondContact O-CB 3.46Å; Y1462-S1521 PolarHBondContact O-OG 3.04Å |
| 1463 | Q | 80.5 | Confident | 83.3 | Confident | 68 Ų | 68 | 28.2 Ų | 28.2 | 32% | 0.318 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 155.9 | -171.6 | -77.3 | 175.2 | 11 | 0 | 0 | 111.7 | F1442 I1443 C1461 R1476 | F1442-Q1463 VanDerWaalsContact CD2-C 3.45Å; F1442-Q1463 WeakPolarHBondContact CD2-O 3.27Å; I1443-Q1463 PolarHBondContact N-O 2.94Å; I1443-Q1463 PolarHBondContact O-N 3.29Å; C1461-Q1463 VanDerWaalsContact O-CG 3.31Å; C1461-Q1463 WeakPolarHBondContact O-CG 3.44Å; C1461-Q1463 PolarHBondContact O-N 3.07Å; Q1463-R1476 VanDerWaalsContact OE1-CD 3.25Å; Q1463-R1476 VanDerWaalsContact OE1-NE 3.11Å; Q1463-R1476 VanDerWaalsContact OE1-NH1 3.08Å |
| 1464 | W | 82.3 | Confident | 83.3 | Confident | 66 Ų | 66 | 29.3 Ų | 29.3 | 25% | 0.25 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 155.9 | 173.7 | -73.7 | 87.6 | 0 | 0 | 0 | 112.2 | K1440 W1441 F1442 V1469 E1470 R1476 | K1440-W1464 HydrophobicContact CB-CE3 4.29Å; K1440-W1464 HydrophobicContact CB-CZ3 4.16Å; W1441-W1464 CarbonylContact O-C 3.56Å; W1441-W1464 VanDerWaalsContact O-CA 3.27Å; W1441-W1464 WeakPolarHBondContact O-CA 3.37Å; F1442-W1464 HydrophobicContact CB-CD2 3.78Å; F1442-W1464 HydrophobicContact CB-CE3 3.81Å; F1442-W1464 HydrophobicContact CB-CG 4.41Å; F1442-W1464 HydrophobicContact CB-CH2 3.93Å; F1442-W1464 HydrophobicContact CB-CZ2 3.9Å; F1442-W1464 HydrophobicContact CB-CZ3 3.88Å; F1442-W1464 AromaticContact CD2-CD1 3.48Å; F1442-W1464 VanDerWaalsContact CD2-CD1 3.48Å; F1442-W1464 AromaticContact CD2-CD2 3.9Å; F1442-W1464 HydrophobicContact CD2-CD2 3.9Å; F1442-W1464 AromaticContact CD2-CE2 3.72Å; F1442-W1464 AromaticContact CD2-CG 3.76Å; F1442-W1464 HydrophobicContact CD2-CG 3.76Å; F1442-W1464 HydrophobicContact CD2-CZ2 4.42Å; F1442-W1464 AromaticContact CD2-NE1 3.45Å; F1442-W1464 HydrophobicContact CG-CD2 4.25Å; F1442-W1464 AromaticContact CG-CE2 3.99Å; F1442-W1464 HydrophobicContact CG-CZ2 4.27Å; W1464-V1469 HydrophobicContact CB-CB 4.14Å; W1464-V1469 HydrophobicContact CB-CG1 3.53Å; W1464-V1469 HydrophobicContact CD2-CG1 3.85Å; W1464-V1469 HydrophobicContact CE3-CG1 4.27Å; W1464-V1469 HydrophobicContact CG-CG1 3.51Å; W1464-E1470 HydrophobicContact CB-CG 4.24Å; W1464-E1470 WeakPolarHBondContact CB-OE2 3.12Å; W1464-E1470 HydrophobicContact CG-CG 4.49Å; W1464-E1470 PolarHBondContact N-OE2 3.45Å; W1464-R1476 PolarHBondContact O-NE 3.06Å; W1464-R1476 PolarHBondContact O-NH2 3.47Å |
| 1465 | F | 80 | Confident | 83.6 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 148.4 | 164.6 | -55.4 | -114.1 | 0 | 0 | 0 | 108.4 | I1430 H1432 K1440 W1441 I1443 C1461 A1473 R1476 | I1430-F1465 HydrophobicContact CG2-CE1 4.06Å; I1430-F1465 HydrophobicContact CG2-CZ 3.75Å; H1432-F1465 VanDerWaalsContact NE2-CA 3.27Å; H1432-F1465 WeakPolarHBondContact NE2-CA 3.36Å; H1432-F1465 WeakPolarHBondContact NE2-CB 3.49Å; H1432-F1465 PolarHBondContact NE2-O 2.95Å; K1440-F1465 WeakPolarHBondContact CA-O 3.46Å; W1441-F1465 HydrophobicContact CB-CB 4.35Å; W1441-F1465 PolarHBondContact N-O 3.28Å; W1441-F1465 PolarHBondContact O-N 2.97Å; I1443-F1465 HydrophobicContact CB-CE2 4.35Å; I1443-F1465 HydrophobicContact CD1-CD2 4.43Å; I1443-F1465 HydrophobicContact CD1-CE2 3.76Å; I1443-F1465 HydrophobicContact CD1-CZ 4.22Å; I1443-F1465 HydrophobicContact CG1-CE2 4.07Å; C1461-F1465 VanDerWaalsContact SG-CE2 3.59Å; F1465-A1473 CarbonylContact C-O 3.53Å; F1465-A1473 VanDerWaalsContact CA-O 3.31Å; F1465-A1473 WeakPolarHBondContact CA-O 3.32Å; F1465-R1476 HydrophobicContact CD1-CG 4.18Å; F1465-R1476 HydrophobicContact CE1-CB 3.71Å; F1465-R1476 HydrophobicContact CE1-CG 3.51Å; F1465-R1476 HydrophobicContact CZ-CB 3.92Å; F1465-R1476 HydrophobicContact CZ-CG 3.84Å |
| 1466 | G | 82.1 | Confident | 83.7 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 117.7 | 145.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | H1432 N1434 V1469 A1473 | H1432-G1466 WeakPolarHBondContact CE1-CA 3.31Å; H1432-G1466 WeakPolarHBondContact NE2-CA 3.21Å; H1432-G1466 PolarHBondContact NE2-N 3.27Å; N1434-G1466 WeakPolarHBondContact OD1-CA 3.34Å; G1466-V1469 WeakPolarHBondContact O-CG2 3.45Å; G1466-V1469 PolarHBondContact O-N 2.73Å; G1466-A1473 PolarHBondContact N-O 3.08Å |
| 1467 | L | 83.4 | Confident | 83.6 | Confident | 93 Ų | 93 | 29.2 Ų | 29.2 | 49% | 0.487 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 141.5 | -176.3 | -59.5 | -179.9 | 0 | 0 | 0 | 112.4 | N1434 K1440 D1472 L1474 | N1434-L1467 PolarHBondContact OD1-N 3.28Å; K1440-L1467 VanDerWaalsContact CE-O 3.27Å; K1440-L1467 WeakPolarHBondContact CE-O 3.34Å; L1467-D1472 HydrophobicContact CD2-CB 4.37Å; L1467-L1474 HydrophobicContact CD2-CD1 4.33Å; L1467-L1474 HydrophobicContact CD2-CD2 4.13Å; L1467-L1474 HydrophobicContact CD2-CG 4.22Å; L1467-L1474 HydrophobicContact CG-CD2 4.14Å |
| 1468 | G | 76.2 | Confident | 83.5 | Confident | 55 Ų | 55 | 29.5 Ų | 29.5 | 57% | 0.567 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 35.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1440 D1472 | K1440-G1468 PolarHBondContact NZ-O 3.49Å; G1468-D1472 VanDerWaalsContact CA-OD1 3.28Å; G1468-D1472 WeakPolarHBondContact CA-OD1 3.24Å; G1468-D1472 PolarHBondContact N-OD1 3.05Å |
| 1469 | V | 77.8 | Confident | 83.2 | Confident | 29 Ų | 29 | 30.5 Ų | 30.5 | 18% | 0.176 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -144.9 | 137.4 | 173.3 | -155.5 | 0 | 0 | 0 | 0 | 109.3 | K1440 W1464 G1466 D1471 D1472 | K1440-V1469 HydrophobicContact CB-CG2 4.33Å; K1440-V1469 HydrophobicContact CD-CG2 3.34Å; K1440-V1469 HydrophobicContact CG-CG2 3.68Å; W1464-V1469 HydrophobicContact CB-CB 4.14Å; W1464-V1469 HydrophobicContact CB-CG1 3.53Å; W1464-V1469 HydrophobicContact CD2-CG1 3.85Å; W1464-V1469 HydrophobicContact CE3-CG1 4.27Å; W1464-V1469 HydrophobicContact CG-CG1 3.51Å; G1466-V1469 WeakPolarHBondContact O-CG2 3.45Å; G1466-V1469 PolarHBondContact O-N 2.73Å; V1469-D1471 PolarHBondContact O-N 3.34Å; V1469-D1472 PolarHBondContact O-N 3.44Å |
| 1470 | E | 76.9 | Confident | 82.7 | Confident | 78 Ų | 78 | 31 Ų | 31 | 36% | 0.364 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.5 | -106.1 | -179.7 | -63.9 | -171 | 139.5 | 0 | 0 | 114 | W1464 Y1596 | W1464-E1470 HydrophobicContact CB-CG 4.24Å; W1464-E1470 WeakPolarHBondContact CB-OE2 3.12Å; W1464-E1470 HydrophobicContact CG-CG 4.49Å; W1464-E1470 PolarHBondContact N-OE2 3.45Å; E1470-Y1596 WeakPolarHBondContact O-CE2 3.37Å; E1470-Y1596 PolarHBondContact O-OH 3.23Å |
| 1471 | D | 82.2 | Confident | 82.5 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 13.1 | -175.8 | 71.8 | -23.5 | 0 | 0 | 0 | 113.6 | V1469 A1473 R1476 Y1596 G1783 K1784 E1785 | V1469-D1471 PolarHBondContact O-N 3.34Å; D1471-A1473 VanDerWaalsContact C-N 3.32Å; D1471-A1473 PolarHBondContact O-N 3.44Å; D1471-A1473 WeakPolarHBondContact OD1-CB 3.41Å; D1471-A1473 PolarHBondContact OD1-N 2.88Å; D1471-R1476 IonicContact OD1-CZ 2.69Å; D1471-R1476 IonicContact OD1-NH1 3.04Å; D1471-R1476 PolarHBondContact OD1-NH1 3.03Å; D1471-R1476 IonicContact OD1-NH2 2.69Å; D1471-R1476 PolarHBondContact OD1-NH2 2.76Å; D1471-R1476 IonicContact OD2-CZ 3.85Å; D1471-R1476 IonicContact OD2-NH1 2.93Å; D1471-R1476 PolarHBondContact OD2-NH1 3.37Å; D1471-R1476 IonicContact OD2-NH2 2.61Å; D1471-Y1596 HydrophobicContact CB-CD1 4.28Å; D1471-Y1596 HydrophobicContact CB-CE1 3.7Å; D1471-Y1596 HydrophobicContact CB-CE2 4.33Å; D1471-Y1596 PolarHBondContact N-OH 3.12Å; D1471-G1783 CarbonylContact O-C 3.59Å; D1471-G1783 WeakPolarHBondContact O-CA 3.49Å; D1471-G1783 WeakPolarHBondContact OD2-CA 3.42Å; D1471-K1784 HydrophobicContact CB-CB 4.18Å; D1471-K1784 PolarHBondContact O-N 3.15Å; D1471-E1785 HydrophobicContact CB-CB 4.5Å; D1471-E1785 WeakPolarHBondContact OD2-CB 3.25Å; D1471-E1785 PolarHBondContact OD2-N 3.49Å |
| 1472 | D | 83.6 | Confident | 82.2 | Confident | 58 Ų | 58 | 35.6 Ų | 35.6 | 31% | 0.31 | 19% | 0.188 | S | C | . | . | trans | 64 | 21.5 | -176.9 | -60 | -54 | 0 | 0 | 0 | 115.4 | L1467 G1468 V1469 | L1467-D1472 HydrophobicContact CD2-CB 4.37Å; G1468-D1472 VanDerWaalsContact CA-OD1 3.28Å; G1468-D1472 WeakPolarHBondContact CA-OD1 3.24Å; G1468-D1472 PolarHBondContact N-OD1 3.05Å; V1469-D1472 PolarHBondContact O-N 3.44Å | ||
| 1473 | A | 85.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -64.2 | 137.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | H1432 F1465 G1466 D1471 R1476 G1783 | H1432-A1473 PolarHBondContact NE2-O 3.06Å; F1465-A1473 CarbonylContact C-O 3.53Å; F1465-A1473 VanDerWaalsContact CA-O 3.31Å; F1465-A1473 WeakPolarHBondContact CA-O 3.32Å; G1466-A1473 PolarHBondContact N-O 3.08Å; D1471-A1473 VanDerWaalsContact C-N 3.32Å; D1471-A1473 PolarHBondContact O-N 3.44Å; D1471-A1473 WeakPolarHBondContact OD1-CB 3.41Å; D1471-A1473 PolarHBondContact OD1-N 2.88Å; A1473-R1476 HydrophobicContact CB-CG 4.31Å; A1473-R1476 VanDerWaalsContact CB-CZ 3.44Å; A1473-G1783 VanDerWaalsContact CA-CA 3.49Å | ||
| 1474 | L | 87.8 | Confident | 81.3 | Confident | 24 Ų | 24 | 35.9 Ų | 35.9 | 13% | 0.126 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -107.1 | -22.1 | 166.1 | -59.8 | -173 | 0 | 0 | 0 | 112.7 | G1431 H1432 N1434 L1467 T1781 | G1431-L1474 CarbonylContact C-O 3.56Å; G1431-L1474 WeakPolarHBondContact CA-O 3.44Å; H1432-L1474 PolarHBondContact CD2-O 3.27Å; H1432-L1474 PolarHBondContact N-O 3.4Å; H1432-L1474 VanDerWaalsContact NE2-CD2 3.29Å; H1432-L1474 WeakPolarHBondContact NE2-CD2 3.24Å; N1434-L1474 HydrophobicContact CB-CD1 3.98Å; N1434-L1474 HydrophobicContact CB-CD2 3.72Å; N1434-L1474 WeakPolarHBondContact OD1-CD2 3.35Å; L1467-L1474 HydrophobicContact CD2-CD1 4.33Å; L1467-L1474 HydrophobicContact CD2-CD2 4.13Å; L1467-L1474 HydrophobicContact CD2-CG 4.22Å; L1467-L1474 HydrophobicContact CG-CD2 4.14Å; L1474-T1781 WeakPolarHBondContact CA-O 3.42Å; L1474-T1781 HydrophobicContact CB-CG2 4.16Å; L1474-T1781 HydrophobicContact CD1-CG2 4.32Å; L1474-T1781 PolarHBondContact N-O 2.87Å |
| 1475 | E | 88.7 | Confident | 80.4 | Confident | 24 Ų | 24 | 35.3 Ų | 35.3 | 11% | 0.112 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 155.7 | 170.3 | 76.2 | -171.2 | 133.8 | 0 | 0 | 112.2 | W1393 I1430 T1781 F1782 | W1393-E1475 HydrophobicContact CH2-CB 4.3Å; W1393-E1475 HydrophobicContact CZ2-CB 3.91Å; I1430-E1475 CarbonylContact O-C 3.5Å; I1430-E1475 VanDerWaalsContact O-CA 3.32Å; I1430-E1475 WeakPolarHBondContact O-CA 3.36Å; E1475-T1781 PolarHBondContact N-O 3.26Å; E1475-T1781 WeakPolarHBondContact OE1-CB 3.48Å; E1475-T1781 PolarHBondContact OE1-OG1 3.37Å; E1475-F1782 HydrophobicContact CG-CD1 4.09Å; E1475-F1782 HydrophobicContact CG-CD2 3.73Å; E1475-F1782 HydrophobicContact CG-CE1 4.06Å; E1475-F1782 HydrophobicContact CG-CE2 3.68Å; E1475-F1782 HydrophobicContact CG-CG 3.94Å; E1475-F1782 HydrophobicContact CG-CZ 3.85Å; E1475-F1782 WeakPolarHBondContact OE1-CD2 3.44Å; E1475-F1782 WeakPolarHBondContact OE1-CE2 3.48Å |
| 1476 | R | 87.5 | Confident | 79.3 | Confident | 15 Ų | 15 | 37.4 Ų | 37.4 | 6% | 0.057 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 154 | 173 | -64.1 | -173.1 | -170.5 | -71.6 | -0.6 | 110.8 | Q1429 I1430 Q1463 W1464 F1465 D1471 A1473 L1478 | Q1429-R1476 WeakPolarHBondContact CA-O 3.37Å; I1430-R1476 PolarHBondContact N-O 2.84Å; I1430-R1476 PolarHBondContact O-N 2.91Å; Q1463-R1476 VanDerWaalsContact OE1-CD 3.25Å; Q1463-R1476 VanDerWaalsContact OE1-NE 3.11Å; Q1463-R1476 VanDerWaalsContact OE1-NH1 3.08Å; W1464-R1476 PolarHBondContact O-NE 3.06Å; W1464-R1476 PolarHBondContact O-NH2 3.47Å; F1465-R1476 HydrophobicContact CD1-CG 4.18Å; F1465-R1476 HydrophobicContact CE1-CB 3.71Å; F1465-R1476 HydrophobicContact CE1-CG 3.51Å; F1465-R1476 HydrophobicContact CZ-CB 3.92Å; F1465-R1476 HydrophobicContact CZ-CG 3.84Å; D1471-R1476 IonicContact OD1-CZ 2.69Å; D1471-R1476 IonicContact OD1-NH1 3.04Å; D1471-R1476 PolarHBondContact OD1-NH1 3.03Å; D1471-R1476 IonicContact OD1-NH2 2.69Å; D1471-R1476 PolarHBondContact OD1-NH2 2.76Å; D1471-R1476 IonicContact OD2-CZ 3.85Å; D1471-R1476 IonicContact OD2-NH1 2.93Å; D1471-R1476 PolarHBondContact OD2-NH1 3.37Å; D1471-R1476 IonicContact OD2-NH2 2.61Å; A1473-R1476 HydrophobicContact CB-CG 4.31Å; A1473-R1476 VanDerWaalsContact CB-CZ 3.44Å; R1476-L1478 HydrophobicContact CB-CD2 4.21Å |
| 1477 | I | 86.7 | Confident | 77.9 | Confident | 19 Ų | 19 | 40.9 Ų | 40.9 | 10% | 0.097 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 116.8 | 169.3 | -59 | 154.9 | 0 | 0 | 0 | 107.2 | T1427 Q1429 F1782 A1850 L1851 | T1427-I1477 HydrophobicContact CG2-CG2 4.07Å; Q1429-I1477 HydrophobicContact CG-CB 4.47Å; Q1429-I1477 HydrophobicContact CG-CG1 3.68Å; I1477-F1782 HydrophobicContact CD1-CE1 3.69Å; I1477-F1782 HydrophobicContact CD1-CZ 3.68Å; I1477-F1782 HydrophobicContact CG1-CE1 3.86Å; I1477-F1782 HydrophobicContact CG1-CZ 3.91Å; I1477-A1850 WeakPolarHBondContact CD1-O 3.45Å; I1477-L1851 HydrophobicContact CD1-CD2 4.17Å; I1477-L1851 HydrophobicContact CG2-CD2 4.26Å |
| 1478 | L | 87.2 | Confident | 76.5 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 156 | 172.7 | -45.1 | -172.2 | 0 | 0 | 0 | 109.5 | T1427 L1428 I1430 I1446 F1459 C1461 R1476 | T1427-L1478 CarbonylContact C-O 3.57Å; T1427-L1478 VanDerWaalsContact CA-O 3.31Å; T1427-L1478 WeakPolarHBondContact CA-O 3.05Å; L1428-L1478 HydrophobicContact CD2-CD1 4.24Å; L1428-L1478 HydrophobicContact CD2-CG 4.45Å; L1428-L1478 PolarHBondContact N-O 3.15Å; L1428-L1478 PolarHBondContact O-N 2.84Å; I1430-L1478 HydrophobicContact CG2-CD1 4.15Å; I1430-L1478 HydrophobicContact CG2-CG 4.23Å; I1446-L1478 HydrophobicContact CD1-CD1 3.89Å; I1446-L1478 HydrophobicContact CG1-CD1 4.36Å; F1459-L1478 HydrophobicContact CB-CB 3.93Å; F1459-L1478 HydrophobicContact CB-CD1 4.07Å; F1459-L1478 HydrophobicContact CD1-CB 4.2Å; C1461-L1478 HydrophobicContact CB-CD1 3.85Å; C1461-L1478 HydrophobicContact CB-CD2 3.96Å; R1476-L1478 HydrophobicContact CB-CD2 4.21Å |
| 1479 | I | 82.1 | Confident | 75.6 | Confident | 21 Ų | 21 | 43.7 Ų | 43.7 | 11% | 0.108 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 136.6 | -176.8 | -59.9 | 171.4 | 0 | 0 | 0 | 108.9 | T1427 F1459 P1460 T1564 C1568 | T1427-I1479 HydrophobicContact CG2-CG1 4.2Å; F1459-I1479 VanDerWaalsContact CD1-C 3.46Å; P1460-I1479 WeakPolarHBondContact CD-O 3.46Å; I1479-T1564 HydrophobicContact CD1-CG2 4.16Å; I1479-T1564 HydrophobicContact CG1-CG2 4.13Å; I1479-T1564 HydrophobicContact CG2-CG2 4.42Å; I1479-C1568 HydrophobicContact CD1-CB 3.29Å; I1479-C1568 WeakPolarHBondContact CD1-O 3.45Å |
| 1480 | G | 78.5 | Confident | 74.9 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | trans | -86.2 | 129.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1426 L1458 F1459 | S1426-G1480 PolarHBondContact O-N 3.15Å; L1458-G1480 CarbonylContact O-C 3.46Å; L1458-G1480 WeakPolarHBondContact O-CA 3.49Å; F1459-G1480 VanDerWaalsContact CE1-N 3.31Å | ||
| 1481 | E | 77.4 | Confident | 74.2 | Confident | 88 Ų | 88 | 43.8 Ų | 43.8 | 41% | 0.411 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 127.6 | 162.5 | -176 | -177 | 176.1 | 0 | 0 | 108.7 | Y1457 L1458 I1483 | Y1457-E1481 CarbonylContact C-O 3.55Å; Y1457-E1481 VanDerWaalsContact CA-O 3.3Å; Y1457-E1481 WeakPolarHBondContact CA-O 3.45Å; L1458-E1481 PolarHBondContact N-O 3.44Å; L1458-E1481 PolarHBondContact O-N 3.12Å; E1481-I1483 PolarHBondContact O-N 3.33Å |
| 1482 | Q | 78.8 | Confident | 73 | Confident | 56 Ų | 56 | 44.5 Ų | 44.5 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 112.9 | 176.4 | -173.2 | 167.8 | -30.2 | 0 | 0 | 110.3 | F1456 Y1457 | F1456-Q1482 CarbonylContact O-C 3.57Å; F1456-Q1482 WeakPolarHBondContact O-CA 3.19Å; Y1457-Q1482 HydrophobicContact CD1-CB 3.9Å; Y1457-Q1482 HydrophobicContact CD1-CG 4.22Å; Y1457-Q1482 HydrophobicContact CE1-CB 3.61Å; Y1457-Q1482 HydrophobicContact CE1-CG 3.71Å; Y1457-Q1482 PolarHBondContact OH-OE1 3.22Å |
| 1483 | I | 75.7 | Confident | 71.2 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 5% | 0.051 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 127.2 | 176.5 | -33.5 | 177.6 | 0 | 0 | 0 | 108.6 | F1456 L1458 E1481 L1492 | F1456-I1483 HydrophobicContact CB-CB 3.97Å; F1456-I1483 HydrophobicContact CB-CD1 4.07Å; F1456-I1483 HydrophobicContact CB-CG1 4.11Å; F1456-I1483 PolarHBondContact O-N 3.2Å; L1458-I1483 HydrophobicContact CB-CD1 3.81Å; L1458-I1483 HydrophobicContact CB-CG1 3.85Å; E1481-I1483 PolarHBondContact O-N 3.33Å; I1483-L1492 HydrophobicContact CD1-CD1 3.86Å; I1483-L1492 HydrophobicContact CG2-CD2 3.92Å |
| 1484 | R | 66.6 | Low | 69.4 | Low | 92 Ų | 92 | 46.4 Ų | 46.4 | 35% | 0.347 | 24% | 0.24 | S | C | . | . | trans | -87.2 | 142.1 | 161.3 | -65.8 | -170.3 | -176.2 | 176.6 | 9 | 108.6 | D1357 N1513 | D1357-R1484 VanDerWaalsContact CG-CZ 3.49Å; D1357-R1484 IonicContact OD1-CZ 3.69Å; D1357-R1484 IonicContact OD1-NE 2.7Å; D1357-R1484 PolarHBondContact OD1-NE 3.39Å; D1357-R1484 IonicContact OD1-NH1 2.8Å; D1357-R1484 IonicContact OD1-NH2 3.94Å; D1357-R1484 PolarHBondContact OD1-NH2 3.14Å; D1357-R1484 IonicContact OD2-CZ 3.48Å; D1357-R1484 IonicContact OD2-NE 2.68Å; D1357-R1484 PolarHBondContact OD2-NE 3.47Å; D1357-R1484 IonicContact OD2-NH2 3.7Å; D1357-R1484 PolarHBondContact OD2-NH2 3.26Å; R1484-N1513 WeakPolarHBondContact CB-OD1 3.1Å; R1484-N1513 PolarHBondContact O-OD1 3.39Å | ||
| 1485 | I | 64.7 | Low | 66.7 | Low | 54 Ų | 54 | 48.5 Ų | 48.5 | 28% | 0.277 | 25% | 0.254 | S | S | . | . | trans | -122 | 131 | 177.4 | -58.7 | -171.5 | 0 | 0 | 0 | 107.1 | L1267 F1456 D1489 | L1267-I1485 HydrophobicContact CD1-CD1 3.49Å; L1267-I1485 VanDerWaalsContact CD1-CD1 3.49Å; F1456-I1485 HydrophobicContact CD1-CD1 4.3Å; F1456-I1485 HydrophobicContact CD2-CD1 3.35Å; F1456-I1485 HydrophobicContact CD2-CG1 4.04Å; F1456-I1485 HydrophobicContact CE1-CD1 4.41Å; F1456-I1485 HydrophobicContact CE2-CD1 3.5Å; F1456-I1485 VanDerWaalsContact CE2-CD1 3.5Å; F1456-I1485 HydrophobicContact CE2-CG1 4.46Å; F1456-I1485 HydrophobicContact CG-CD1 3.79Å; F1456-I1485 HydrophobicContact CZ-CD1 4.04Å; I1485-D1489 WeakPolarHBondContact CG2-O 3.33Å | ||
| 1486 | A | 55 | Low | 63.9 | Low | 44 Ų | 44 | 51.3 Ų | 51.3 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | trans | -70.2 | 137.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | N1488 D1489 | A1486-N1488 PolarHBondContact O-N 2.76Å; A1486-N1488 VanDerWaalsContact O-N 3.15Å; A1486-D1489 HydrophobicContact CB-CB 4.3Å; A1486-D1489 PolarHBondContact O-N 3.21Å | ||
| 1487 | S | 53.3 | Low | 60.9 | Low | 75 Ų | 75 | 55 Ų | 55 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 123.5 | 176.2 | -55.9 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1488 | N | 53.9 | Low | 57.9 | Low | 134 Ų | 134 | 60.2 Ų | 60.2 | 72% | 0.717 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | -8.4 | -174.1 | -50.4 | -23 | 0 | 0 | 0 | 117.9 | A1486 P1490 | A1486-N1488 PolarHBondContact O-N 2.76Å; A1486-N1488 VanDerWaalsContact O-N 3.15Å; N1488-P1490 WeakPolarHBondContact O-CD 3.26Å |
| 1489 | D | 57.8 | Low | 54.9 | Low | 72 Ų | 72 | 63.9 Ų | 63.9 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | trans | -102.2 | 111.6 | 174.8 | -171.9 | 1.1 | 0 | 0 | 0 | 112.4 | I1485 A1486 Y1491 | I1485-D1489 WeakPolarHBondContact CG2-O 3.33Å; A1486-D1489 HydrophobicContact CB-CB 4.3Å; A1486-D1489 PolarHBondContact O-N 3.21Å; D1489-Y1491 WeakPolarHBondContact OD1-CB 3.44Å; D1489-Y1491 VanDerWaalsContact OD1-CD2 3.23Å; D1489-Y1491 WeakPolarHBondContact OD1-CD2 3.44Å; D1489-Y1491 PolarHBondContact OD1-N 3.43Å | ||
| 1490 | P | 63.5 | Low | 52.2 | Low | 5 Ų | 5 | 71.4 Ų | 71.4 | 3% | 0.032 | 40% | 0.397 | C | S | . | . | trans | -90.5 | 2 | 176.6 | 36.4 | -34.3 | 0 | 0 | 0 | 114.6 | L1267 R1268 I1276 N1488 | L1267-P1490 HydrophobicContact CB-CB 4.45Å; L1267-P1490 WeakPolarHBondContact CB-O 3.33Å; L1267-P1490 WeakPolarHBondContact CD1-O 3.31Å; L1267-P1490 VanDerWaalsContact CG-O 3.24Å; L1267-P1490 WeakPolarHBondContact CG-O 3.46Å; L1267-P1490 PolarHBondContact N-O 3.09Å; R1268-P1490 HydrophobicContact CG-CB 4.18Å; I1276-P1490 HydrophobicContact CD1-CB 3.55Å; I1276-P1490 HydrophobicContact CD1-CG 3.63Å; I1276-P1490 HydrophobicContact CG1-CB 4.14Å; N1488-P1490 WeakPolarHBondContact O-CD 3.26Å | ||
| 1491 | Y | 61 | Low | 49.6 | Very low | 105 Ų | 105 | 75.7 Ų | 75.7 | 41% | 0.412 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 111.7 | -167.6 | -59.6 | -64 | 0 | 0 | 0 | 112.6 | I1264 L1265 D1266 R1268 D1489 | I1264-Y1491 HydrophobicContact CG2-CD1 3.87Å; I1264-Y1491 HydrophobicContact CG2-CG 4.11Å; L1265-Y1491 WeakPolarHBondContact O-CA 3.36Å; D1266-Y1491 HydrophobicContact CB-CD1 3.85Å; D1266-Y1491 HydrophobicContact CB-CE1 3.7Å; R1268-Y1491 PolarHBondContact NH2-OH 3.43Å; D1489-Y1491 WeakPolarHBondContact OD1-CB 3.44Å; D1489-Y1491 VanDerWaalsContact OD1-CD2 3.23Å; D1489-Y1491 WeakPolarHBondContact OD1-CD2 3.44Å; D1489-Y1491 PolarHBondContact OD1-N 3.43Å |
| 1492 | L | 57.2 | Low | 47 | Very low | 19 Ų | 19 | 75 Ų | 75 | 10% | 0.099 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 117 | 168 | -61.8 | -177.4 | 0 | 0 | 0 | 110.3 | L1265 L1267 I1447 I1483 F1494 | L1265-L1492 HydrophobicContact CB-CB 4.02Å; L1265-L1492 PolarHBondContact N-O 3.46Å; L1265-L1492 PolarHBondContact O-N 2.96Å; L1267-L1492 HydrophobicContact CD1-CD1 4.16Å; L1267-L1492 HydrophobicContact CD1-CD2 4.36Å; L1267-L1492 HydrophobicContact CD1-CG 3.91Å; L1267-L1492 HydrophobicContact CD2-CD1 3.93Å; L1267-L1492 HydrophobicContact CD2-CG 4.32Å; L1267-L1492 HydrophobicContact CG-CD1 4.35Å; L1267-L1492 HydrophobicContact CG-CG 4.2Å; I1447-L1492 HydrophobicContact CD1-CD1 3.7Å; I1483-L1492 HydrophobicContact CD1-CD1 3.86Å; I1483-L1492 HydrophobicContact CG2-CD2 3.92Å; L1492-F1494 HydrophobicContact CB-CE2 3.81Å; L1492-F1494 HydrophobicContact CB-CZ 4.34Å |
| 1493 | L | 47 | Very low | 44.5 | Very low | 85 Ų | 85 | 76.8 Ų | 76.8 | 45% | 0.445 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 118.3 | 179.4 | -79.3 | 162.5 | 0 | 0 | 0 | 111.1 | I1264 | I1264-L1493 HydrophobicContact CD1-CD2 4.18Å; I1264-L1493 HydrophobicContact CG1-CD2 3.85Å; I1264-L1493 HydrophobicContact CG2-CD2 4.34Å |
| 1494 | F | 48.1 | Very low | 42.2 | Very low | 12 Ų | 12 | 79.4 Ų | 79.4 | 5% | 0.053 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 96.3 | 175.5 | -65 | -86.8 | 0 | 0 | 0 | 110.3 | M1263 L1265 F1445 L1458 L1492 S1517 | M1263-F1494 PolarHBondContact O-N 2.89Å; L1265-F1494 HydrophobicContact CB-CE2 4.27Å; L1265-F1494 HydrophobicContact CD2-CE2 4.36Å; F1445-F1494 HydrophobicContact CD1-CZ 4.48Å; F1445-F1494 HydrophobicContact CE1-CE2 4.26Å; F1445-F1494 HydrophobicContact CE1-CZ 4.19Å; F1445-F1494 HydrophobicContact CE2-CE2 4.48Å; F1445-F1494 HydrophobicContact CE2-CZ 4.21Å; F1445-F1494 AromaticContact CZ-CE2 3.99Å; F1445-F1494 HydrophobicContact CZ-CE2 3.99Å; F1445-F1494 HydrophobicContact CZ-CZ 4.05Å; L1458-F1494 HydrophobicContact CD1-CE1 4.29Å; L1458-F1494 HydrophobicContact CD1-CZ 4.25Å; L1458-F1494 HydrophobicContact CD2-CE1 4.1Å; L1492-F1494 HydrophobicContact CB-CE2 3.81Å; L1492-F1494 HydrophobicContact CB-CZ 4.34Å; F1494-S1517 WeakPolarHBondContact CA-OG 3.44Å |
| 1495 | T | 30.5 | Very low | 40.2 | Very low | 69 Ų | 69 | 80.4 Ų | 80.4 | 42% | 0.423 | 48% | 0.476 | S | S | . | . | trans | -91.5 | 102 | -179.6 | 56.7 | 0 | 0 | 0 | 0 | 113 | P1497 S1517 | T1495-P1497 WeakPolarHBondContact O-CD 3.43Å; T1495-S1517 PolarHBondContact N-OG 2.89Å; T1495-S1517 VanDerWaalsContact O-CB 3.27Å; T1495-S1517 WeakPolarHBondContact O-CB 3.34Å; T1495-S1517 PolarHBondContact O-OG 3.18Å | ||
| 1496 | T | 29.3 | Very low | 38.2 | Very low | 82 Ų | 82 | 85.8 Ų | 85.8 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | trans | -68.3 | 122.4 | 176 | 47.1 | 0 | 0 | 0 | 0 | 112.8 | L1520 | T1496-L1520 HydrophobicContact CG2-CD1 4.12Å; T1496-L1520 HydrophobicContact CG2-CG 4.47Å | ||
| 1497 | P | 25.4 | Very low | 36.9 | Very low | 94 Ų | 94 | 90 Ų | 90 | 61% | 0.61 | 53% | 0.526 | S | S | * | . | trans | -82.3 | 120.2 | 175.4 | 31.8 | -32.1 | 0 | 0 | 0 | 111 | T1495 | T1495-P1497 WeakPolarHBondContact O-CD 3.43Š| ||
| 1498 | L | 23.7 | Very low | 35.5 | Very low | 127 Ų | 127 | 93.6 Ų | 93.6 | 67% | 0.665 | 54% | 0.538 | S | S | * | . | trans | -152.6 | 50.1 | 173.7 | -123 | -180 | 0 | 0 | 0 | 113.2 | L1520 | L1498-L1520 HydrophobicContact CB-CD1 4.36Å; L1498-L1520 HydrophobicContact CD1-CD1 3.71Å; L1498-L1520 HydrophobicContact CD1-CD2 4.45Å; L1498-L1520 HydrophobicContact CG-CD1 4Å | ||
| 1499 | A | 24.1 | Very low | 34.1 | Very low | 88 Ų | 88 | 94.6 Ų | 94.6 | 73% | 0.727 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -154 | 149.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1500 | L | 25 | Very low | 32.5 | Very low | 178 Ų | 178 | 97.5 Ų | 97.5 | 93% | 0.932 | 56% | 0.559 | S | S | * | * | trans | 70.3 | 158.9 | 170.7 | -66.9 | 140 | 0 | 0 | 0 | 118 | ||||
| 1501 | S | 23.3 | Very low | 30.7 | Very low | 100 Ų | 100 | 102.2 Ų | 102.2 | 70% | 0.699 | 58% | 0.584 | S | S | * | * | trans | -146.6 | 159.5 | -163 | 54.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1502 | S | 24.2 | Very low | 28.9 | Very low | 74 Ų | 74 | 100.5 Ų | 100.5 | 52% | 0.517 | 59% | 0.585 | S | S | . | * | trans | 60.6 | 138.2 | -178.7 | 33.5 | 0 | 0 | 0 | 0 | 114.3 | M1 | M1-S1502 VanDerWaalsContact SD-O 3.38Š| ||
| 1503 | D | 25.2 | Very low | 27.4 | Very low | 94 Ų | 94 | 104.4 Ų | 104.4 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | cis | -145.4 | 158.4 | -8 | -76 | -45.1 | 0 | 0 | 0 | 108.2 | M1 | M1-D1503 HydrophobicContact CG-CB 4.04Å; M1-D1503 PolarHBondContact N-O 3.13Å | ||
| 1504 | P | 28.5 | Very low | 26.4 | Very low | 65 Ų | 65 | 108.5 Ų | 108.5 | 42% | 0.422 | 62% | 0.616 | S | S | . | * | trans | -83.2 | 135.4 | -179.7 | 33.2 | -34 | 0 | 0 | 0 | 113.7 | ||||
| 1505 | T | 24 | Very low | 25.5 | Very low | 112 Ų | 112 | 109.2 Ų | 109.2 | 69% | 0.687 | 62% | 0.622 | S | S | * | * | trans | -173 | 156.2 | 140.8 | 23.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1506 | E | 23.2 | Very low | 25.3 | Very low | 167 Ų | 167 | 112 Ų | 112 | 78% | 0.78 | 63% | 0.633 | S | S | * | * | trans | 56 | 93.4 | 168.7 | -63.5 | -172.3 | 162.2 | 0 | 0 | 118.6 | ||||
| 1507 | C | 26.4 | Very low | 25 | Very low | 134 Ų | 134 | 108.9 Ų | 108.9 | 91% | 0.905 | 62% | 0.615 | S | S | * | * | trans | -163.8 | 110.6 | 136.4 | -101.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1508 | L | 24.6 | Very low | 25 | Very low | 149 Ų | 149 | 105 Ų | 105 | 78% | 0.78 | 59% | 0.589 | S | S | * | * | trans | -132 | 146.9 | 163.6 | -87.5 | 173 | 0 | 0 | 0 | 107.9 | ||||
| 1509 | Q | 25.4 | Very low | 25.2 | Very low | 155 Ų | 155 | 100.6 Ų | 100.6 | 72% | 0.724 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 82.7 | 150.4 | 178.1 | -51.9 | 176.9 | -57.5 | 0 | 0 | 116.3 | ||
| 1510 | T | 24.2 | Very low | 25.5 | Very low | 134 Ų | 134 | 99.4 Ų | 99.4 | 82% | 0.822 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 53.3 | 75.6 | 169.6 | 59.9 | 0 | 0 | 0 | 0 | 120.3 | ||
| 1511 | L | 24.2 | Very low | 25.8 | Very low | 104 Ų | 104 | 93.5 Ų | 93.5 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | -179.2 | 113 | 126.3 | -103.4 | 165.9 | 0 | 0 | 0 | 112.4 | P57 N1513 | P57-L1511 HydrophobicContact CB-CD1 4.21Å; P57-L1511 VanDerWaalsContact O-CD1 3.31Å; P57-L1511 WeakPolarHBondContact O-CD1 3.34Å; L1511-N1513 PolarHBondContact O-N 3.49Å | |||
| 1512 | P | 24.7 | Very low | 26.2 | Very low | 69 Ų | 69 | 97.2 Ų | 97.2 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | trans | -101.5 | 72.6 | -174.4 | 37 | -30.9 | 0 | 0 | 0 | 112.5 | ||||
| 1513 | N | 25.4 | Very low | 26.6 | Very low | 100 Ų | 100 | 98.9 Ų | 98.9 | 54% | 0.535 | 52% | 0.518 | S | S | . | . | trans | -156.5 | 21.2 | 171.1 | -109.8 | 5.2 | 0 | 0 | 0 | 114.2 | R1484 L1511 | R1484-N1513 WeakPolarHBondContact CB-OD1 3.1Å; R1484-N1513 PolarHBondContact O-OD1 3.39Å; L1511-N1513 PolarHBondContact O-N 3.49Å | ||
| 1514 | R | 26.2 | Very low | 27.1 | Very low | 172 Ų | 172 | 98.8 Ų | 98.8 | 65% | 0.649 | 52% | 0.517 | S | S | * | . | trans | -114.9 | 97.6 | 172.1 | -77 | -172.8 | 175 | -175.1 | -1.2 | 110.8 | L1516 | R1514-L1516 PolarHBondContact O-N 3.02Š| ||
| 1515 | C | 28.3 | Very low | 27.3 | Very low | 26 Ų | 26 | 98.7 Ų | 98.7 | 18% | 0.176 | 52% | 0.518 | C | S | . | . | trans | -66.9 | 82.9 | 156.6 | -68.2 | 0 | 0 | 0 | 0 | 108.7 | S1517 | C1515-S1517 PolarHBondContact O-N 3.37Š| ||
| 1516 | L | 25.2 | Very low | 28 | Very low | 127 Ų | 127 | 98.4 Ų | 98.4 | 67% | 0.665 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 120.2 | 165.6 | -68.4 | 167.6 | 0 | 0 | 0 | 107.2 | R1514 P1518 | R1514-L1516 PolarHBondContact O-N 3.02Å; L1516-P1518 WeakPolarHBondContact O-CD 3.48Å |
| 1517 | S | 24.2 | Very low | 29 | Very low | 18 Ų | 18 | 93.2 Ų | 93.2 | 13% | 0.126 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -54 | 117.2 | -174.2 | -81.3 | 0 | 0 | 0 | 0 | 111.1 | F1494 T1495 C1515 S1519 | F1494-S1517 WeakPolarHBondContact CA-OG 3.44Å; T1495-S1517 PolarHBondContact N-OG 2.89Å; T1495-S1517 VanDerWaalsContact O-CB 3.27Å; T1495-S1517 WeakPolarHBondContact O-CB 3.34Å; T1495-S1517 PolarHBondContact O-OG 3.18Å; C1515-S1517 PolarHBondContact O-N 3.37Å; S1517-S1519 PolarHBondContact O-N 3.49Å |
| 1518 | P | 25.1 | Very low | 29.9 | Very low | 11 Ų | 11 | 93.9 Ų | 93.9 | 7% | 0.071 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 138.6 | 174.4 | -16.4 | 28.9 | 0 | 0 | 0 | 109.1 | P1460 Y1462 L1516 E1570 | P1460-P1518 HydrophobicContact CB-CB 3.82Å; P1460-P1518 HydrophobicContact CB-CG 3.85Å; P1460-P1518 HydrophobicContact CG-CB 4.06Å; P1460-P1518 HydrophobicContact CG-CG 3.64Å; Y1462-P1518 HydrophobicContact CD2-CB 4.27Å; Y1462-P1518 HydrophobicContact CE2-CB 3.84Å; Y1462-P1518 HydrophobicContact CE2-CG 4.11Å; Y1462-P1518 WeakPolarHBondContact CE2-O 3.29Å; L1516-P1518 WeakPolarHBondContact O-CD 3.48Å; P1518-E1570 WeakPolarHBondContact CA-OE2 3.34Å |
| 1519 | S | 27.5 | Very low | 31 | Very low | 36 Ų | 36 | 94 Ų | 94 | 25% | 0.252 | 47% | 0.473 | S | S | . | . | trans | 37.9 | 88.4 | 158.7 | -64.9 | 0 | 0 | 0 | 0 | 117.4 | S1517 S1521 E1570 | S1517-S1519 PolarHBondContact O-N 3.49Å; S1519-S1521 PolarHBondContact O-N 3.16Å; S1519-E1570 PolarHBondContact N-OE2 3.2Å; S1519-E1570 PolarHBondContact OG-OE1 2.9Å | ||
| 1520 | L | 30.3 | Very low | 32.7 | Very low | 63 Ų | 63 | 88.9 Ų | 88.9 | 33% | 0.33 | 45% | 0.451 | S | S | . | . | trans | -62.4 | 101.8 | 148.6 | -137.1 | 160.2 | 0 | 0 | 0 | 107.2 | T1496 L1498 R1522 | T1496-L1520 HydrophobicContact CG2-CD1 4.12Å; T1496-L1520 HydrophobicContact CG2-CG 4.47Å; L1498-L1520 HydrophobicContact CB-CD1 4.36Å; L1498-L1520 HydrophobicContact CD1-CD1 3.71Å; L1498-L1520 HydrophobicContact CD1-CD2 4.45Å; L1498-L1520 HydrophobicContact CG-CD1 4Å; L1520-R1522 HydrophobicContact CD2-CB 4.04Å; L1520-R1522 HydrophobicContact CD2-CG 4.27Å; L1520-R1522 PolarHBondContact O-N 3.2Å | ||
| 1521 | S | 32.6 | Very low | 35.2 | Very low | 53 Ų | 53 | 86.4 Ų | 86.4 | 37% | 0.371 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -66.7 | 25.7 | -177 | -63 | 0 | 0 | 0 | 0 | 115.2 | Y1462 S1519 R1523 | Y1462-S1521 WeakPolarHBondContact CB-OG 3.45Å; Y1462-S1521 WeakPolarHBondContact O-CB 3.46Å; Y1462-S1521 PolarHBondContact O-OG 3.04Å; S1519-S1521 PolarHBondContact O-N 3.16Å; S1521-R1523 PolarHBondContact O-N 2.78Å |
| 1522 | R | 31.2 | Very low | 37.9 | Very low | 178 Ų | 178 | 82.5 Ų | 82.5 | 67% | 0.672 | 41% | 0.413 | S | S | * | . | trans | -76.7 | 13.5 | 158.9 | -94.2 | -169.7 | 172.7 | -144.2 | -0.5 | 113.6 | L1520 N1524 | L1520-R1522 HydrophobicContact CD2-CB 4.04Å; L1520-R1522 HydrophobicContact CD2-CG 4.27Å; L1520-R1522 PolarHBondContact O-N 3.2Å; R1522-N1524 PolarHBondContact O-N 3.42Å | ||
| 1523 | R | 33.3 | Very low | 40.6 | Very low | 110 Ų | 110 | 84.4 Ų | 84.4 | 42% | 0.415 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 81 | 165.6 | -79.8 | -168.5 | -176.5 | 154.7 | 14.9 | 111 | S1521 Q1527 E1570 | S1521-R1523 PolarHBondContact O-N 2.78Å; R1523-Q1527 HydrophobicContact CB-CG 4.46Å; R1523-Q1527 HydrophobicContact CG-CG 4.32Å; R1523-E1570 IonicContact CZ-OE1 3.46Å; R1523-E1570 IonicContact NH1-OE1 3.15Å; R1523-E1570 PolarHBondContact NH1-OE1 2.95Å; R1523-E1570 IonicContact NH2-OE1 3.64Å; R1523-E1570 PolarHBondContact NH2-OE1 3.49Å |
| 1524 | N | 34.5 | Very low | 43.3 | Very low | 92 Ų | 92 | 82.1 Ų | 82.1 | 49% | 0.492 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -163.8 | -31.3 | 173.7 | -127.9 | 15 | 0 | 0 | 0 | 112.3 | R1522 K1594 | R1522-N1524 PolarHBondContact O-N 3.42Å; N1524-K1594 WeakPolarHBondContact OD1-CE 3.34Å; N1524-K1594 PolarHBondContact OD1-NZ 3.13Å |
| 1525 | S | 33.3 | Very low | 46.1 | Very low | 63 Ų | 63 | 74.2 Ų | 74.2 | 44% | 0.441 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -50.6 | 174.1 | 48.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1526 | D | 37.5 | Very low | 48.8 | Very low | 105 Ų | 105 | 76 Ų | 76 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -91.9 | -17.9 | -157.7 | -51.2 | -11.5 | 0 | 0 | 0 | 113.4 | R1528 N1529 | D1526-R1528 PolarHBondContact O-N 2.76Å; D1526-N1529 PolarHBondContact O-N 3.23Å |
| 1527 | Q | 44.3 | Very low | 51.6 | Low | 58 Ų | 58 | 73 Ų | 73 | 27% | 0.271 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -62.5 | -13.7 | 179.3 | -75.9 | 177.4 | -70.3 | 0 | 0 | 114.3 | R1523 N1529 | R1523-Q1527 HydrophobicContact CB-CG 4.46Å; R1523-Q1527 HydrophobicContact CG-CG 4.32Å; Q1527-N1529 PolarHBondContact O-N 3.09Å |
| 1528 | R | 45.1 | Very low | 54.4 | Low | 148 Ų | 148 | 76.6 Ų | 76.6 | 56% | 0.558 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -71.9 | -12.8 | -179.7 | -64 | -178.8 | -178.3 | -170.8 | -4.9 | 113.9 | D1526 S1587 | D1526-R1528 PolarHBondContact O-N 2.76Å; R1528-S1587 VanDerWaalsContact NH2-CB 3.34Å; R1528-S1587 PolarHBondContact NH2-OG 3.01Å |
| 1529 | N | 48.1 | Very low | 57.3 | Low | 152 Ų | 152 | 76.1 Ų | 76.1 | 81% | 0.813 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -106.5 | 3.9 | -176.6 | -65.8 | -1.5 | 0 | 0 | 0 | 113.7 | D1526 Q1527 N1531 | D1526-N1529 PolarHBondContact O-N 3.23Å; Q1527-N1529 PolarHBondContact O-N 3.09Å; N1529-N1531 PolarHBondContact O-N 2.91Å |
| 1530 | L | 62.2 | Low | 60 | Low | 48 Ų | 48 | 75.6 Ų | 75.6 | 25% | 0.251 | 37% | 0.37 | S | S | . | . | trans | -70.3 | 117.5 | 174.2 | -81.2 | 163.8 | 0 | 0 | 0 | 110.2 | I1534 I1535 L1579 Y1583 | L1530-I1534 HydrophobicContact CD2-CG2 4.1Å; L1530-I1535 HydrophobicContact CB-CD1 4.23Å; L1530-I1535 HydrophobicContact CB-CG1 4.3Å; L1530-L1579 HydrophobicContact CD1-CD2 4.3Å; L1530-Y1583 VanDerWaalsContact O-CE2 3.29Å; L1530-Y1583 WeakPolarHBondContact O-CE2 3.48Å | ||
| 1531 | N | 76.1 | Confident | 62.4 | Low | 82 Ų | 82 | 76.4 Ų | 76.4 | 44% | 0.439 | 38% | 0.375 | S | S | . | . | trans | -67.8 | 147.6 | 176.9 | -166.4 | 6.6 | 0 | 0 | 0 | 110.9 | N1529 I1533 I1534 I1535 | N1529-N1531 PolarHBondContact O-N 2.91Å; N1531-I1533 PolarHBondContact O-N 3.43Å; N1531-I1533 VanDerWaalsContact O-N 3.15Å; N1531-I1534 PolarHBondContact O-N 2.95Å; N1531-I1535 PolarHBondContact O-N 3.32Å | ||
| 1532 | S | 80.8 | Confident | 64.8 | Low | 21 Ų | 21 | 74.1 Ų | 74.1 | 15% | 0.147 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.8 | -31.7 | -178.4 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | I1534 I1535 H1536 | S1532-I1534 PolarHBondContact O-N 3.45Å; S1532-I1535 PolarHBondContact O-N 2.97Å; S1532-H1536 WeakPolarHBondContact O-CB 3.49Å; S1532-H1536 PolarHBondContact O-N 2.87Å |
| 1533 | I | 81.7 | Confident | 67.3 | Low | 109 Ų | 109 | 65.7 Ų | 65.7 | 56% | 0.559 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -56.2 | -47.2 | 174.6 | -58.5 | 176.5 | 0 | 0 | 0 | 111.4 | N1531 H1536 E1537 | N1531-I1533 PolarHBondContact O-N 3.43Å; N1531-I1533 VanDerWaalsContact O-N 3.15Å; I1533-H1536 PolarHBondContact O-N 3.43Å; I1533-E1537 WeakPolarHBondContact O-CB 3.36Å; I1533-E1537 PolarHBondContact O-N 3.34Å |
| 1534 | I | 82.4 | Confident | 69.6 | Low | 53 Ų | 53 | 63.7 Ų | 63.7 | 27% | 0.272 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -72.1 | -32.8 | -177.2 | -58.1 | 170.8 | 0 | 0 | 0 | 110.8 | L1530 N1531 S1532 R1538 | L1530-I1534 HydrophobicContact CD2-CG2 4.1Å; N1531-I1534 PolarHBondContact O-N 2.95Å; S1532-I1534 PolarHBondContact O-N 3.45Å; I1534-R1538 WeakPolarHBondContact O-CG 3.33Å; I1534-R1538 PolarHBondContact O-N 3.01Å |
| 1535 | I | 84.7 | Confident | 71.4 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.5 | -45.1 | 174.5 | -61.8 | 173.3 | 0 | 0 | 0 | 110 | L1530 N1531 S1532 R1538 V1539 L1579 V1580 Y1583 F1823 | L1530-I1535 HydrophobicContact CB-CD1 4.23Å; L1530-I1535 HydrophobicContact CB-CG1 4.3Å; N1531-I1535 PolarHBondContact O-N 3.32Å; S1532-I1535 PolarHBondContact O-N 2.97Å; I1535-R1538 PolarHBondContact O-N 3.49Å; I1535-V1539 WeakPolarHBondContact O-CG2 3.31Å; I1535-V1539 PolarHBondContact O-N 2.8Å; I1535-L1579 HydrophobicContact CG1-CB 4.35Å; I1535-L1579 HydrophobicContact CG2-CB 3.96Å; I1535-V1580 HydrophobicContact CG2-CG2 3.8Å; I1535-Y1583 HydrophobicContact CD1-CD2 3.54Å; I1535-Y1583 HydrophobicContact CD1-CE2 4.28Å; I1535-Y1583 HydrophobicContact CD1-CG 3.88Å; I1535-F1823 HydrophobicContact CB-CE2 4Å; I1535-F1823 HydrophobicContact CB-CZ 4.11Å; I1535-F1823 HydrophobicContact CD1-CE2 4.34Å; I1535-F1823 HydrophobicContact CG2-CE2 3.7Å; I1535-F1823 HydrophobicContact CG2-CZ 3.95Å |
| 1536 | H | 84.7 | Confident | 73.4 | Confident | 63 Ų | 63 | 59 Ų | 59 | 29% | 0.292 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 173.7 | 170.2 | -117.3 | 0 | 0 | 0 | 111.7 | S1532 I1533 R1538 V1539 A1540 I1832 L1836 | S1532-H1536 WeakPolarHBondContact O-CB 3.49Å; S1532-H1536 PolarHBondContact O-N 2.87Å; I1533-H1536 PolarHBondContact O-N 3.43Å; H1536-R1538 VanDerWaalsContact C-N 3.3Å; H1536-R1538 PolarHBondContact O-N 3.02Å; H1536-V1539 PolarHBondContact O-N 3.32Å; H1536-V1539 VanDerWaalsContact O-N 3.15Å; H1536-A1540 WeakPolarHBondContact O-CB 3.31Å; H1536-A1540 PolarHBondContact O-N 3.07Å; H1536-I1832 WeakPolarHBondContact CD2-CG2 3.27Å; H1536-I1832 WeakPolarHBondContact NE2-CG2 3.49Å; H1536-L1836 WeakPolarHBondContact NE2-CD1 3.36Å |
| 1537 | E | 83.8 | Confident | 75.1 | Confident | 66 Ų | 66 | 56 Ų | 56 | 31% | 0.308 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 177.2 | -164.1 | -157 | 149.8 | 0 | 0 | 111.8 | I1533 A1540 N1541 | I1533-E1537 WeakPolarHBondContact O-CB 3.36Å; I1533-E1537 PolarHBondContact O-N 3.34Å; E1537-A1540 PolarHBondContact O-N 3.47Å; E1537-N1541 VanDerWaalsContact O-CB 3.26Å; E1537-N1541 WeakPolarHBondContact O-CB 3.3Å; E1537-N1541 PolarHBondContact O-N 2.93Å; E1537-N1541 PolarHBondContact O-ND2 3.2Å |
| 1538 | R | 82.5 | Confident | 76 | Confident | 93 Ų | 93 | 57.9 Ų | 57.9 | 35% | 0.351 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 173.7 | -79.5 | -178.7 | 171.9 | -139.8 | -4.6 | 112.9 | I1534 I1535 H1536 A1542 A1576 | I1534-R1538 WeakPolarHBondContact O-CG 3.33Å; I1534-R1538 PolarHBondContact O-N 3.01Å; I1535-R1538 PolarHBondContact O-N 3.49Å; H1536-R1538 VanDerWaalsContact C-N 3.3Å; H1536-R1538 PolarHBondContact O-N 3.02Å; R1538-A1542 WeakPolarHBondContact O-CB 3.47Å; R1538-A1542 PolarHBondContact O-N 3.46Å; R1538-A1576 HydrophobicContact CB-CB 4.41Å |
| 1539 | V | 87.3 | Confident | 76.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 175.3 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | I1535 H1536 N1541 A1542 V1543 L1573 A1576 V1580 I1833 L1836 | I1535-V1539 WeakPolarHBondContact O-CG2 3.31Å; I1535-V1539 PolarHBondContact O-N 2.8Å; H1536-V1539 PolarHBondContact O-N 3.32Å; H1536-V1539 VanDerWaalsContact O-N 3.15Å; V1539-N1541 PolarHBondContact O-N 3Å; V1539-A1542 PolarHBondContact O-N 2.65Å; V1539-V1543 HydrophobicContact CG1-CG2 4.11Å; V1539-V1543 WeakPolarHBondContact O-CB 3.47Å; V1539-V1543 VanDerWaalsContact O-CG2 3.3Å; V1539-V1543 WeakPolarHBondContact O-CG2 3.35Å; V1539-V1543 PolarHBondContact O-N 3.05Å; V1539-L1573 HydrophobicContact CG1-CD1 4.08Å; V1539-A1576 HydrophobicContact CG2-CB 3.84Å; V1539-V1580 HydrophobicContact CG2-CG2 3.66Å; V1539-I1833 HydrophobicContact CB-CD1 4.14Å; V1539-I1833 HydrophobicContact CG1-CD1 3.99Å; V1539-I1833 HydrophobicContact CG2-CD1 4.15Å; V1539-L1836 HydrophobicContact CG1-CD1 4.32Å |
| 1540 | A | 84.3 | Confident | 77.6 | Confident | 25 Ų | 25 | 45.9 Ų | 45.9 | 21% | 0.207 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.9 | -43.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | H1536 E1537 N1544 L1836 | H1536-A1540 WeakPolarHBondContact O-CB 3.31Å; H1536-A1540 PolarHBondContact O-N 3.07Å; E1537-A1540 PolarHBondContact O-N 3.47Å; A1540-N1544 WeakPolarHBondContact O-CB 3.49Å; A1540-N1544 PolarHBondContact O-N 3.24Å; A1540-L1836 HydrophobicContact CB-CD1 4.06Å; A1540-L1836 HydrophobicContact CB-CD2 4.36Å |
| 1541 | N | 80.1 | Confident | 77.2 | Confident | 81 Ų | 81 | 46.8 Ų | 46.8 | 43% | 0.433 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.3 | -40 | 176 | -77.7 | -30.7 | 0 | 0 | 0 | 112.3 | E1537 V1539 N1544 C1545 | E1537-N1541 VanDerWaalsContact O-CB 3.26Å; E1537-N1541 WeakPolarHBondContact O-CB 3.3Å; E1537-N1541 PolarHBondContact O-N 2.93Å; E1537-N1541 PolarHBondContact O-ND2 3.2Å; V1539-N1541 PolarHBondContact O-N 3Å; N1541-N1544 PolarHBondContact O-N 2.95Å; N1541-C1545 WeakPolarHBondContact O-CB 3.36Å; N1541-C1545 PolarHBondContact O-N 3.27Å; N1541-C1545 PolarHBondContact O-SG 2.99Å |
| 1542 | A | 83.1 | Confident | 75.7 | Confident | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.033 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -45.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1538 V1539 C1545 L1546 L1573 | R1538-A1542 WeakPolarHBondContact O-CB 3.47Å; R1538-A1542 PolarHBondContact O-N 3.46Å; V1539-A1542 PolarHBondContact O-N 2.65Å; A1542-C1545 PolarHBondContact O-N 3.08Å; A1542-L1546 WeakPolarHBondContact O-CG 3.35Å; A1542-L1546 PolarHBondContact O-N 3.13Å; A1542-L1573 HydrophobicContact CB-CB 4.07Å; A1542-L1573 HydrophobicContact CB-CD1 4.23Å |
| 1543 | V | 84.2 | Confident | 73.7 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60 | -46 | 172.7 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | V1539 C1545 L1546 L1547 L1573 L1836 L1840 | V1539-V1543 HydrophobicContact CG1-CG2 4.11Å; V1539-V1543 WeakPolarHBondContact O-CB 3.47Å; V1539-V1543 VanDerWaalsContact O-CG2 3.3Å; V1539-V1543 WeakPolarHBondContact O-CG2 3.35Å; V1539-V1543 PolarHBondContact O-N 3.05Å; V1543-C1545 VanDerWaalsContact C-N 3.35Å; V1543-C1545 PolarHBondContact O-N 2.93Å; V1543-L1546 CarbonylContact O-C 3.51Å; V1543-L1546 PolarHBondContact O-N 3.31Å; V1543-L1546 VanDerWaalsContact O-N 3.1Å; V1543-L1547 HydrophobicContact CG1-CD1 3.89Å; V1543-L1547 HydrophobicContact CG1-CG 4.19Å; V1543-L1547 WeakPolarHBondContact O-CG 3.34Å; V1543-L1547 PolarHBondContact O-N 2.9Å; V1543-L1573 HydrophobicContact CG2-CD1 3.79Å; V1543-L1573 HydrophobicContact CG2-CD2 4.25Å; V1543-L1836 HydrophobicContact CB-CD2 4.12Å; V1543-L1836 HydrophobicContact CG1-CD2 3.96Å; V1543-L1836 HydrophobicContact CG2-CD2 4.42Å; V1543-L1840 HydrophobicContact CG1-CD1 4.44Å; V1543-L1840 HydrophobicContact CG1-CD2 4.22Å; V1543-L1840 HydrophobicContact CG1-CG 4.18Å; V1543-L1840 HydrophobicContact CG2-CD1 4.22Å |
| 1544 | N | 80 | Confident | 71.7 | Confident | 69 Ų | 69 | 47.5 Ų | 47.5 | 37% | 0.369 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.6 | -35 | 178.9 | -168.1 | -14.5 | 0 | 0 | 0 | 112 | A1540 N1541 K1548 | A1540-N1544 WeakPolarHBondContact O-CB 3.49Å; A1540-N1544 PolarHBondContact O-N 3.24Å; N1541-N1544 PolarHBondContact O-N 2.95Å; N1544-K1548 VanDerWaalsContact O-CB 3.23Å; N1544-K1548 WeakPolarHBondContact O-CB 3.45Å; N1544-K1548 WeakPolarHBondContact O-CD 3.49Å; N1544-K1548 WeakPolarHBondContact O-CG 3.42Å; N1544-K1548 PolarHBondContact O-N 3.27Å; N1544-K1548 WeakPolarHBondContact OD1-CE 3.44Å; N1544-K1548 PolarHBondContact OD1-NZ 3.09Å |
| 1545 | C | 72.5 | Confident | 69.3 | Low | 57 Ų | 57 | 48.7 Ų | 48.7 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.4 | -36.1 | 170.4 | -74.7 | 0 | 0 | 0 | 0 | 112.8 | N1541 A1542 V1543 K1548 F1549 L1566 | N1541-C1545 WeakPolarHBondContact O-CB 3.36Å; N1541-C1545 PolarHBondContact O-N 3.27Å; N1541-C1545 PolarHBondContact O-SG 2.99Å; A1542-C1545 PolarHBondContact O-N 3.08Å; V1543-C1545 VanDerWaalsContact C-N 3.35Å; V1543-C1545 PolarHBondContact O-N 2.93Å; C1545-K1548 CarbonylContact O-C 3.48Å; C1545-F1549 PolarHBondContact O-N 2.93Å; C1545-L1566 HydrophobicContact CB-CD2 4.5Å |
| 1546 | L | 76.2 | Confident | 66.9 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73 | -40.2 | 173.8 | -73.6 | 167.2 | 0 | 0 | 0 | 112.3 | A1542 V1543 K1548 F1549 F1550 L1563 L1566 W1567 L1573 L1840 | A1542-L1546 WeakPolarHBondContact O-CG 3.35Å; A1542-L1546 PolarHBondContact O-N 3.13Å; V1543-L1546 CarbonylContact O-C 3.51Å; V1543-L1546 PolarHBondContact O-N 3.31Å; V1543-L1546 VanDerWaalsContact O-N 3.1Å; L1546-K1548 VanDerWaalsContact C-N 3.34Å; L1546-K1548 PolarHBondContact O-N 2.86Å; L1546-F1549 CarbonylContact O-C 3.55Å; L1546-F1549 WeakPolarHBondContact O-CA 3.49Å; L1546-F1549 VanDerWaalsContact O-CB 3.25Å; L1546-F1549 WeakPolarHBondContact O-CB 3.33Å; L1546-F1549 PolarHBondContact O-N 2.92Å; L1546-F1550 HydrophobicContact CB-CE2 4.47Å; L1546-F1550 HydrophobicContact CD2-CE2 4.25Å; L1546-F1550 WeakPolarHBondContact O-CD2 3.44Å; L1546-F1550 PolarHBondContact O-N 3.41Å; L1546-L1563 HydrophobicContact CD2-CD1 4Å; L1546-L1566 HydrophobicContact CD2-CB 3.69Å; L1546-L1566 HydrophobicContact CG-CB 4.43Å; L1546-W1567 HydrophobicContact CD1-CD2 4.06Å; L1546-W1567 HydrophobicContact CD1-CE3 4.08Å; L1546-W1567 HydrophobicContact CD1-CH2 3.84Å; L1546-W1567 HydrophobicContact CD1-CZ2 3.84Å; L1546-W1567 HydrophobicContact CD1-CZ3 4Å; L1546-W1567 HydrophobicContact CD2-CD2 4.15Å; L1546-W1567 HydrophobicContact CD2-CG 4.35Å; L1546-W1567 HydrophobicContact CD2-CZ2 3.87Å; L1546-W1567 HydrophobicContact CG-CZ2 4.42Å; L1546-L1573 HydrophobicContact CD1-CB 3.7Å; L1546-L1573 HydrophobicContact CD1-CD2 3.65Å; L1546-L1573 HydrophobicContact CD1-CG 4.32Å; L1546-L1840 HydrophobicContact CB-CD2 4.15Å |
| 1547 | L | 73.2 | Confident | 64.4 | Low | 42 Ų | 42 | 55.9 Ų | 55.9 | 22% | 0.22 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 170.8 | -69.4 | 172.5 | 0 | 0 | 0 | 110.8 | V1543 F1549 F1550 C1551 S1839 L1840 F1843 | V1543-L1547 HydrophobicContact CG1-CD1 3.89Å; V1543-L1547 HydrophobicContact CG1-CG 4.19Å; V1543-L1547 WeakPolarHBondContact O-CG 3.34Å; V1543-L1547 PolarHBondContact O-N 2.9Å; L1547-F1549 PolarHBondContact O-N 3.44Å; L1547-F1550 PolarHBondContact O-N 2.85Å; L1547-C1551 WeakPolarHBondContact O-CB 3.13Å; L1547-C1551 PolarHBondContact O-N 3.18Å; L1547-C1551 PolarHBondContact O-SG 3.48Å; L1547-C1551 VanDerWaalsContact O-SG 3.33Å; L1547-S1839 WeakPolarHBondContact CD2-O 3.29Å; L1547-L1840 HydrophobicContact CD2-CD2 3.99Å; L1547-L1840 HydrophobicContact CG-CD2 4.17Å; L1547-F1843 HydrophobicContact CD2-CD2 4.1Å; L1547-F1843 HydrophobicContact CD2-CE2 3.48Å; L1547-F1843 VanDerWaalsContact CD2-CE2 3.48Å; L1547-F1843 HydrophobicContact CD2-CZ 4.26Å |
| 1548 | K | 63.5 | Low | 61.9 | Low | 96 Ų | 96 | 53.9 Ų | 53.9 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.6 | -13.2 | 169.8 | -74.1 | 166.6 | 178.5 | 164.1 | 0 | 113.5 | N1544 C1545 L1546 K1552 | N1544-K1548 VanDerWaalsContact O-CB 3.23Å; N1544-K1548 WeakPolarHBondContact O-CB 3.45Å; N1544-K1548 WeakPolarHBondContact O-CD 3.49Å; N1544-K1548 WeakPolarHBondContact O-CG 3.42Å; N1544-K1548 PolarHBondContact O-N 3.27Å; N1544-K1548 WeakPolarHBondContact OD1-CE 3.44Å; N1544-K1548 PolarHBondContact OD1-NZ 3.09Å; C1545-K1548 CarbonylContact O-C 3.48Å; L1546-K1548 VanDerWaalsContact C-N 3.34Å; L1546-K1548 PolarHBondContact O-N 2.86Å; K1548-K1552 VanDerWaalsContact O-CD 3.25Å; K1548-K1552 WeakPolarHBondContact O-CD 3.41Å; K1548-K1552 WeakPolarHBondContact O-CE 3.39Å; K1548-K1552 WeakPolarHBondContact O-CG 3.32Å; K1548-K1552 PolarHBondContact O-NZ 3.15Å |
| 1549 | F | 64.4 | Low | 59.8 | Low | 34 Ų | 34 | 52.5 Ų | 52.5 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -83.5 | -63.3 | 165.4 | -174.9 | -86.3 | 0 | 0 | 0 | 108.9 | C1545 L1546 L1547 C1551 K1552 T1553 L1563 L1566 | C1545-F1549 PolarHBondContact O-N 2.93Å; L1546-F1549 CarbonylContact O-C 3.55Å; L1546-F1549 WeakPolarHBondContact O-CA 3.49Å; L1546-F1549 VanDerWaalsContact O-CB 3.25Å; L1546-F1549 WeakPolarHBondContact O-CB 3.33Å; L1546-F1549 PolarHBondContact O-N 2.92Å; L1547-F1549 PolarHBondContact O-N 3.44Å; F1549-C1551 PolarHBondContact O-N 3.29Å; F1549-K1552 CarbonylContact O-C 3.57Å; F1549-K1552 WeakPolarHBondContact O-CA 3.2Å; F1549-K1552 WeakPolarHBondContact O-CB 3.39Å; F1549-K1552 PolarHBondContact O-N 2.79Å; F1549-T1553 HydrophobicContact CD1-CG2 3.97Å; F1549-T1553 WeakPolarHBondContact CD1-OG1 3.43Å; F1549-T1553 HydrophobicContact CD2-CG2 4.28Å; F1549-T1553 HydrophobicContact CE1-CG2 3.77Å; F1549-T1553 WeakPolarHBondContact CE1-OG1 3.42Å; F1549-T1553 HydrophobicContact CE2-CG2 4.11Å; F1549-T1553 HydrophobicContact CG-CG2 4.22Å; F1549-T1553 HydrophobicContact CZ-CG2 3.85Å; F1549-T1553 WeakPolarHBondContact O-CG2 3.46Å; F1549-T1553 PolarHBondContact O-N 3.04Å; F1549-T1553 PolarHBondContact O-OG1 2.76Å; F1549-L1563 HydrophobicContact CD1-CD1 3.71Å; F1549-L1563 HydrophobicContact CD2-CD1 4.3Å; F1549-L1563 HydrophobicContact CE1-CB 4.46Å; F1549-L1563 HydrophobicContact CE1-CD1 3.64Å; F1549-L1563 HydrophobicContact CE1-CD2 3.78Å; F1549-L1563 HydrophobicContact CE1-CG 4.16Å; F1549-L1563 HydrophobicContact CE2-CB 4.37Å; F1549-L1563 HydrophobicContact CE2-CD1 4.22Å; F1549-L1563 HydrophobicContact CG-CD1 4.06Å; F1549-L1563 HydrophobicContact CZ-CB 3.99Å; F1549-L1563 HydrophobicContact CZ-CD1 3.9Å; F1549-L1563 HydrophobicContact CZ-CD2 4.07Å; F1549-L1563 HydrophobicContact CZ-CG 4.2Å; F1549-L1566 HydrophobicContact CB-CD1 3.94Å; F1549-L1566 HydrophobicContact CD2-CD1 3.61Å; F1549-L1566 HydrophobicContact CE2-CD1 4.43Å; F1549-L1566 HydrophobicContact CG-CD1 4.02Å |
| 1550 | F | 61.5 | Low | 57.6 | Low | 14 Ų | 14 | 56.3 Ų | 56.3 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.3 | -39.1 | -171.7 | -68.5 | -71.5 | 0 | 0 | 0 | 115.1 | L1546 L1547 K1552 T1553 L1563 W1567 F1843 L1845 | L1546-F1550 HydrophobicContact CB-CE2 4.47Å; L1546-F1550 HydrophobicContact CD2-CE2 4.25Å; L1546-F1550 WeakPolarHBondContact O-CD2 3.44Å; L1546-F1550 PolarHBondContact O-N 3.41Å; L1547-F1550 PolarHBondContact O-N 2.85Å; F1550-K1552 PolarHBondContact O-N 3.25Å; F1550-K1552 VanDerWaalsContact O-N 3.09Å; F1550-T1553 WeakPolarHBondContact CA-OG1 3.49Å; F1550-T1553 PolarHBondContact O-N 2.82Å; F1550-T1553 VanDerWaalsContact O-N 3.15Å; F1550-L1563 HydrophobicContact CE2-CD1 4.5Å; F1550-L1563 HydrophobicContact CZ-CD1 4.21Å; F1550-L1563 HydrophobicContact CZ-CD2 4.22Å; F1550-W1567 AromaticContact CE2-CZ2 3.93Å; F1550-W1567 HydrophobicContact CE2-CZ2 3.93Å; F1550-W1567 HydrophobicContact CZ-CZ2 4.24Å; F1550-F1843 HydrophobicContact CB-CB 4.05Å; F1550-F1843 HydrophobicContact CB-CD1 3.45Å; F1550-F1843 VanDerWaalsContact CB-CD1 3.45Å; F1550-F1843 HydrophobicContact CB-CD2 4.31Å; F1550-F1843 HydrophobicContact CB-CE1 3.9Å; F1550-F1843 HydrophobicContact CB-CG 3.65Å; F1550-F1843 HydrophobicContact CD1-CB 4.11Å; F1550-F1843 HydrophobicContact CD2-CB 4.29Å; F1550-F1843 HydrophobicContact CG-CB 3.89Å; F1550-F1843 HydrophobicContact CG-CD1 4.22Å; F1550-F1843 HydrophobicContact CG-CG 4.05Å; F1550-L1845 HydrophobicContact CD2-CD2 4.35Å; F1550-L1845 HydrophobicContact CE1-CD2 4.08Å; F1550-L1845 HydrophobicContact CE2-CD2 3.65Å; F1550-L1845 HydrophobicContact CZ-CD2 3.5Å; F1550-L1845 VanDerWaalsContact CZ-CD2 3.5Å |
| 1551 | C | 53.8 | Low | 56 | Low | 67 Ų | 67 | 58.5 Ų | 58.5 | 45% | 0.453 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -11.4 | 173.9 | -63.1 | 0 | 0 | 0 | 0 | 113.5 | L1547 F1549 | L1547-C1551 WeakPolarHBondContact O-CB 3.13Å; L1547-C1551 PolarHBondContact O-N 3.18Å; L1547-C1551 PolarHBondContact O-SG 3.48Å; L1547-C1551 VanDerWaalsContact O-SG 3.33Å; F1549-C1551 PolarHBondContact O-N 3.29Å |
| 1552 | K | 45.3 | Very low | 55 | Low | 46 Ų | 46 | 56.2 Ų | 56.2 | 20% | 0.2 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -36.3 | 168.5 | -55.3 | -177.5 | -151.1 | 142.4 | 0 | 112.6 | E1003 M1004 K1548 F1549 F1550 N1554 | E1003-K1552 WeakPolarHBondContact O-CD 3.28Å; E1003-K1552 VanDerWaalsContact O-CE 3.28Å; E1003-K1552 WeakPolarHBondContact O-CE 3.48Å; E1003-K1552 PolarHBondContact O-NZ 3.47Å; M1004-K1552 VanDerWaalsContact CA-CE 3.44Å; M1004-K1552 VanDerWaalsContact O-CE 3.29Å; M1004-K1552 WeakPolarHBondContact O-CE 3.34Å; M1004-K1552 PolarHBondContact SD-NZ 3.41Å; K1548-K1552 VanDerWaalsContact O-CD 3.25Å; K1548-K1552 WeakPolarHBondContact O-CD 3.41Å; K1548-K1552 WeakPolarHBondContact O-CE 3.39Å; K1548-K1552 WeakPolarHBondContact O-CG 3.32Å; K1548-K1552 PolarHBondContact O-NZ 3.15Å; F1549-K1552 CarbonylContact O-C 3.57Å; F1549-K1552 WeakPolarHBondContact O-CA 3.2Å; F1549-K1552 WeakPolarHBondContact O-CB 3.39Å; F1549-K1552 PolarHBondContact O-N 2.79Å; F1550-K1552 PolarHBondContact O-N 3.25Å; F1550-K1552 VanDerWaalsContact O-N 3.09Å; K1552-N1554 VanDerWaalsContact C-N 3.33Å; K1552-N1554 PolarHBondContact O-N 3.25Å |
| 1553 | T | 39.1 | Very low | 54.2 | Low | 41 Ų | 41 | 57.3 Ų | 57.3 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | trans | -92.3 | 39 | -171.3 | 64.5 | 0 | 0 | 0 | 0 | 114.4 | F1549 F1550 N1555 | F1549-T1553 HydrophobicContact CD1-CG2 3.97Å; F1549-T1553 WeakPolarHBondContact CD1-OG1 3.43Å; F1549-T1553 HydrophobicContact CD2-CG2 4.28Å; F1549-T1553 HydrophobicContact CE1-CG2 3.77Å; F1549-T1553 WeakPolarHBondContact CE1-OG1 3.42Å; F1549-T1553 HydrophobicContact CE2-CG2 4.11Å; F1549-T1553 HydrophobicContact CG-CG2 4.22Å; F1549-T1553 HydrophobicContact CZ-CG2 3.85Å; F1549-T1553 WeakPolarHBondContact O-CG2 3.46Å; F1549-T1553 PolarHBondContact O-N 3.04Å; F1549-T1553 PolarHBondContact O-OG1 2.76Å; F1550-T1553 WeakPolarHBondContact CA-OG1 3.49Å; F1550-T1553 PolarHBondContact O-N 2.82Å; F1550-T1553 VanDerWaalsContact O-N 3.15Å; T1553-N1555 CarbonylContact C-O 3.59Å; T1553-N1555 WeakPolarHBondContact CA-O 3.4Å; T1553-N1555 PolarHBondContact O-N 2.91Å | ||
| 1554 | N | 38.9 | Very low | 53.4 | Low | 141 Ų | 141 | 57.7 Ų | 57.7 | 75% | 0.754 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -71.1 | -5.9 | 164.1 | -103 | -9.7 | 0 | 0 | 0 | 112.8 | K1552 | K1552-N1554 VanDerWaalsContact C-N 3.33Å; K1552-N1554 PolarHBondContact O-N 3.25Å |
| 1555 | N | 32.6 | Very low | 52.8 | Low | 77 Ų | 77 | 56.3 Ų | 56.3 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -131.8 | 159.9 | 159.4 | -79.5 | -45.8 | 0 | 0 | 0 | 109.7 | D1008 P1009 T1553 | D1008-N1555 VanDerWaalsContact OD1-CB 3.27Å; D1008-N1555 WeakPolarHBondContact OD1-CB 3.33Å; D1008-N1555 PolarHBondContact OD1-ND2 3.12Å; D1008-N1555 PolarHBondContact OD2-ND2 2.71Å; P1009-N1555 VanDerWaalsContact CG-C 3.41Å; P1009-N1555 HydrophobicContact CG-CB 4.37Å; P1009-N1555 WeakPolarHBondContact CG-O 3.3Å; T1553-N1555 CarbonylContact C-O 3.59Å; T1553-N1555 WeakPolarHBondContact CA-O 3.4Å; T1553-N1555 PolarHBondContact O-N 2.91Å |
| 1556 | T | 33.2 | Very low | 52.9 | Low | 75 Ų | 75 | 55.5 Ų | 55.5 | 46% | 0.46 | 31% | 0.307 | S | S | . | . | trans | -111.9 | 144.6 | -148.5 | 50.2 | 0 | 0 | 0 | 0 | 118 | P1009 | P1009-T1556 VanDerWaalsContact CG-N 3.31Å; P1009-T1556 WeakPolarHBondContact CG-O 3.07Å | ||
| 1557 | N | 33.1 | Very low | 52.9 | Low | 145 Ų | 145 | 55.5 Ų | 55.5 | 78% | 0.775 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 79.4 | 42.1 | 154.6 | -59.3 | -11.7 | 0 | 0 | 0 | 121.3 | ||
| 1558 | T | 32.1 | Very low | 53.1 | Low | 23 Ų | 23 | 54.1 Ų | 54.1 | 14% | 0.141 | 30% | 0.301 | C | S | . | . | trans | -144 | 123.5 | 140.3 | 45.4 | 0 | 0 | 0 | 0 | 113.7 | E1003 V1013 | E1003-T1558 PolarHBondContact OE1-OG1 3.12Å; V1013-T1558 HydrophobicContact CG2-CG2 3.35Å | ||
| 1559 | M | 36.5 | Very low | 53.2 | Low | 65 Ų | 65 | 50.1 Ų | 50.1 | 32% | 0.32 | 29% | 0.287 | S | S | . | . | trans | -161.8 | 157 | 152.1 | -98.6 | -109.8 | 89.4 | 0 | 0 | 107.4 | E1003 | E1003-M1559 HydrophobicContact CB-CE 3.73Å; E1003-M1559 HydrophobicContact CB-CG 4.04Å; E1003-M1559 HydrophobicContact CB-SD 3.98Å; E1003-M1559 HydrophobicContact CG-CG 4.45Å; E1003-M1559 WeakPolarHBondContact OE2-CE 3.49Å | ||
| 1560 | T | 42 | Very low | 53.3 | Low | 80 Ų | 80 | 51.6 Ų | 51.6 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -83.4 | -24.2 | -173 | 43.5 | 0 | 0 | 0 | 0 | 114.1 | F1359 | F1359-T1560 HydrophobicContact CE2-CG2 3.68Å; F1359-T1560 HydrophobicContact CZ-CG2 4.24Å |
| 1561 | T | 49.8 | Very low | 53.7 | Low | 70 Ų | 70 | 58 Ų | 58 | 43% | 0.429 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -82.5 | 122.8 | 167.8 | 36.7 | 0 | 0 | 0 | 0 | 110 | ||
| 1562 | S | 59.4 | Low | 54.7 | Low | 33 Ų | 33 | 54.9 Ų | 54.9 | 23% | 0.231 | 30% | 0.303 | C | S | . | . | trans | -64.4 | 140.5 | 172.7 | 68.2 | 0 | 0 | 0 | 0 | 110 | T1564 S1565 L1566 | S1562-T1564 PolarHBondContact O-N 3.15Å; S1562-S1565 WeakPolarHBondContact O-CB 3.44Å; S1562-S1565 PolarHBondContact O-N 2.75Å; S1562-S1565 PolarHBondContact OG-N 3.01Å; S1562-L1566 PolarHBondContact O-N 2.93Å | ||
| 1563 | L | 67.5 | Low | 56.7 | Low | 28 Ų | 28 | 52.7 Ų | 52.7 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.1 | -39.4 | 175.1 | -178.5 | 53.1 | 0 | 0 | 0 | 110.3 | L1546 F1549 F1550 S1565 L1566 W1567 T1846 | L1546-L1563 HydrophobicContact CD2-CD1 4Å; F1549-L1563 HydrophobicContact CD1-CD1 3.71Å; F1549-L1563 HydrophobicContact CD2-CD1 4.3Å; F1549-L1563 HydrophobicContact CE1-CB 4.46Å; F1549-L1563 HydrophobicContact CE1-CD1 3.64Å; F1549-L1563 HydrophobicContact CE1-CD2 3.78Å; F1549-L1563 HydrophobicContact CE1-CG 4.16Å; F1549-L1563 HydrophobicContact CE2-CB 4.37Å; F1549-L1563 HydrophobicContact CE2-CD1 4.22Å; F1549-L1563 HydrophobicContact CG-CD1 4.06Å; F1549-L1563 HydrophobicContact CZ-CB 3.99Å; F1549-L1563 HydrophobicContact CZ-CD1 3.9Å; F1549-L1563 HydrophobicContact CZ-CD2 4.07Å; F1549-L1563 HydrophobicContact CZ-CG 4.2Å; F1550-L1563 HydrophobicContact CE2-CD1 4.5Å; F1550-L1563 HydrophobicContact CZ-CD1 4.21Å; F1550-L1563 HydrophobicContact CZ-CD2 4.22Å; L1563-S1565 PolarHBondContact O-N 3.41Å; L1563-S1565 VanDerWaalsContact O-N 3.16Å; L1563-L1566 HydrophobicContact CD1-CD1 4.49Å; L1563-L1566 PolarHBondContact O-N 3.46Å; L1563-W1567 VanDerWaalsContact CD1-NE1 3.33Å; L1563-W1567 PolarHBondContact O-N 3.33Å; L1563-W1567 VanDerWaalsContact O-N 3.07Å; L1563-T1846 WeakPolarHBondContact CD2-O 3.33Å |
| 1564 | T | 67.4 | Low | 59 | Low | 8 Ų | 8 | 51 Ų | 51 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -48.3 | -38.2 | 171.1 | -50.7 | 0 | 0 | 0 | 0 | 113.8 | T1427 I1479 S1562 W1567 C1568 E1848 L1851 | T1427-T1564 HydrophobicContact CG2-CG2 3.38Å; I1479-T1564 HydrophobicContact CD1-CG2 4.16Å; I1479-T1564 HydrophobicContact CG1-CG2 4.13Å; I1479-T1564 HydrophobicContact CG2-CG2 4.42Å; S1562-T1564 PolarHBondContact O-N 3.15Å; T1564-W1567 PolarHBondContact O-N 3.46Å; T1564-C1568 PolarHBondContact O-N 3.13Å; T1564-E1848 PolarHBondContact OG1-OE2 3.36Å; T1564-L1851 HydrophobicContact CG2-CD1 3.87Å |
| 1565 | S | 68 | Low | 61.1 | Low | 41 Ų | 41 | 46.3 Ų | 46.3 | 29% | 0.287 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.5 | -38.9 | 177.1 | -169.8 | 0 | 0 | 0 | 0 | 112.6 | S1562 L1563 W1567 G1569 | S1562-S1565 WeakPolarHBondContact O-CB 3.44Å; S1562-S1565 PolarHBondContact O-N 2.75Å; S1562-S1565 PolarHBondContact OG-N 3.01Å; L1563-S1565 PolarHBondContact O-N 3.41Å; L1563-S1565 VanDerWaalsContact O-N 3.16Å; S1565-W1567 VanDerWaalsContact C-N 3.29Å; S1565-W1567 PolarHBondContact O-N 3.03Å; S1565-G1569 VanDerWaalsContact O-CA 3.31Å; S1565-G1569 WeakPolarHBondContact O-CA 3.22Å; S1565-G1569 PolarHBondContact O-N 3.29Å |
| 1566 | L | 73.8 | Confident | 63.6 | Low | 39 Ų | 39 | 43 Ų | 43 | 20% | 0.204 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.4 | -30 | 174.3 | -62.7 | 176.1 | 0 | 0 | 0 | 112.8 | C1545 L1546 F1549 S1562 L1563 G1572 L1573 | C1545-L1566 HydrophobicContact CB-CD2 4.5Å; L1546-L1566 HydrophobicContact CD2-CB 3.69Å; L1546-L1566 HydrophobicContact CG-CB 4.43Å; F1549-L1566 HydrophobicContact CB-CD1 3.94Å; F1549-L1566 HydrophobicContact CD2-CD1 3.61Å; F1549-L1566 HydrophobicContact CE2-CD1 4.43Å; F1549-L1566 HydrophobicContact CG-CD1 4.02Å; S1562-L1566 PolarHBondContact O-N 2.93Å; L1563-L1566 HydrophobicContact CD1-CD1 4.49Å; L1563-L1566 PolarHBondContact O-N 3.46Å; L1566-G1572 WeakPolarHBondContact O-CA 3.44Å; L1566-L1573 PolarHBondContact O-N 2.89Å |
| 1567 | W | 76 | Confident | 66.3 | Low | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -79.1 | -52.8 | 173.2 | -73.5 | 98.7 | 0 | 0 | 0 | 112.9 | L1546 F1550 L1563 T1564 S1565 G1572 L1573 V1574 L1796 L1840 L1845 F1847 | L1546-W1567 HydrophobicContact CD1-CD2 4.06Å; L1546-W1567 HydrophobicContact CD1-CE3 4.08Å; L1546-W1567 HydrophobicContact CD1-CH2 3.84Å; L1546-W1567 HydrophobicContact CD1-CZ2 3.84Å; L1546-W1567 HydrophobicContact CD1-CZ3 4Å; L1546-W1567 HydrophobicContact CD2-CD2 4.15Å; L1546-W1567 HydrophobicContact CD2-CG 4.35Å; L1546-W1567 HydrophobicContact CD2-CZ2 3.87Å; L1546-W1567 HydrophobicContact CG-CZ2 4.42Å; F1550-W1567 AromaticContact CE2-CZ2 3.93Å; F1550-W1567 HydrophobicContact CE2-CZ2 3.93Å; F1550-W1567 HydrophobicContact CZ-CZ2 4.24Å; L1563-W1567 VanDerWaalsContact CD1-NE1 3.33Å; L1563-W1567 PolarHBondContact O-N 3.33Å; L1563-W1567 VanDerWaalsContact O-N 3.07Å; T1564-W1567 PolarHBondContact O-N 3.46Å; S1565-W1567 VanDerWaalsContact C-N 3.29Å; S1565-W1567 PolarHBondContact O-N 3.03Å; W1567-G1572 CarbonylContact O-C 3.57Å; W1567-L1573 HydrophobicContact CE3-CB 4.44Å; W1567-L1573 HydrophobicContact CE3-CD2 4.3Å; W1567-L1573 HydrophobicContact CH2-CD2 4.29Å; W1567-L1573 HydrophobicContact CZ3-CD2 3.72Å; W1567-L1573 PolarHBondContact O-N 2.74Å; W1567-V1574 WeakPolarHBondContact O-CG2 3.32Å; W1567-V1574 PolarHBondContact O-N 3.37Å; W1567-L1796 HydrophobicContact CE3-CD1 4.28Å; W1567-L1796 HydrophobicContact CH2-CB 4.49Å; W1567-L1796 HydrophobicContact CZ3-CB 3.99Å; W1567-L1796 HydrophobicContact CZ3-CD1 3.69Å; W1567-L1796 HydrophobicContact CZ3-CG 4.3Å; W1567-L1840 HydrophobicContact CH2-CD1 4.28Å; W1567-L1845 HydrophobicContact CH2-CD1 3.46Å; W1567-L1845 VanDerWaalsContact CH2-CD1 3.46Å; W1567-L1845 HydrophobicContact CH2-CD2 4.21Å; W1567-L1845 HydrophobicContact CH2-CG 4.36Å; W1567-L1845 HydrophobicContact CZ2-CB 4.46Å; W1567-L1845 HydrophobicContact CZ2-CD1 3.84Å; W1567-L1845 HydrophobicContact CZ2-CD2 3.88Å; W1567-L1845 HydrophobicContact CZ2-CG 4.28Å; W1567-L1845 HydrophobicContact CZ3-CD1 4.33Å; W1567-F1847 HydrophobicContact CB-CE1 4.1Å; W1567-F1847 AromaticContact CD1-CE1 3.95Å; W1567-F1847 AromaticContact CD2-CE1 3.5Å; W1567-F1847 HydrophobicContact CD2-CE1 3.5Å; W1567-F1847 VanDerWaalsContact CD2-CE1 3.5Å; W1567-F1847 AromaticContact CD2-CZ 3.63Å; W1567-F1847 HydrophobicContact CD2-CZ 3.63Å; W1567-F1847 AromaticContact CE2-CZ 3.84Å; W1567-F1847 AromaticContact CE3-CE1 3.78Å; W1567-F1847 HydrophobicContact CE3-CE1 3.78Å; W1567-F1847 AromaticContact CE3-CZ 3.66Å; W1567-F1847 HydrophobicContact CE3-CZ 3.66Å; W1567-F1847 HydrophobicContact CG-CD1 4.37Å; W1567-F1847 AromaticContact CG-CE1 3.58Å; W1567-F1847 HydrophobicContact CG-CE1 3.58Å; W1567-F1847 HydrophobicContact CG-CZ 4.21Å; W1567-F1847 HydrophobicContact CH2-CZ 4.25Å; W1567-F1847 HydrophobicContact CZ2-CZ 4.19Å; W1567-F1847 AromaticContact CZ3-CZ 3.94Å; W1567-F1847 HydrophobicContact CZ3-CZ 3.94Å |
| 1568 | C | 76.7 | Confident | 68.9 | Low | 13 Ų | 13 | 34.3 Ų | 34.3 | 9% | 0.088 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -123.4 | -3.7 | -162 | -68.4 | 0 | 0 | 0 | 0 | 115.1 | I1479 T1564 Q1789 | I1479-C1568 HydrophobicContact CD1-CB 3.29Å; I1479-C1568 WeakPolarHBondContact CD1-O 3.45Å; T1564-C1568 PolarHBondContact O-N 3.13Å; C1568-Q1789 PolarHBondContact SG-NE2 3.33Å; C1568-Q1789 VanDerWaalsContact SG-NE2 3.42Å |
| 1569 | G | 66.5 | Low | 71.6 | Confident | 11 Ų | 11 | 33.9 Ų | 33.9 | 11% | 0.113 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -66.7 | 171.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1565 H1571 G1572 P1575 | S1565-G1569 VanDerWaalsContact O-CA 3.31Å; S1565-G1569 WeakPolarHBondContact O-CA 3.22Å; S1565-G1569 PolarHBondContact O-N 3.29Å; G1569-H1571 PolarHBondContact O-N 2.81Å; G1569-G1572 PolarHBondContact O-N 2.78Å; G1569-P1575 WeakPolarHBondContact O-CG 3.4Å |
| 1570 | E | 67.1 | Low | 74 | Confident | 65 Ų | 65 | 30.9 Ų | 30.9 | 30% | 0.304 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.3 | -167.8 | -174.6 | 157.6 | -158.3 | 0 | 0 | 115 | P1518 S1519 R1523 | P1518-E1570 WeakPolarHBondContact CA-OE2 3.34Å; S1519-E1570 PolarHBondContact N-OE2 3.2Å; S1519-E1570 PolarHBondContact OG-OE1 2.9Å; R1523-E1570 IonicContact CZ-OE1 3.46Å; R1523-E1570 IonicContact NH1-OE1 3.15Å; R1523-E1570 PolarHBondContact NH1-OE1 2.95Å; R1523-E1570 IonicContact NH2-OE1 3.64Å; R1523-E1570 PolarHBondContact NH2-OE1 3.49Å |
| 1571 | H | 69.4 | Low | 76.2 | Confident | 149 Ų | 149 | 27.1 Ų | 27.1 | 69% | 0.69 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 8.2 | 173.3 | -63.7 | -72.7 | 0 | 0 | 0 | 114.3 | G1569 | G1569-H1571 PolarHBondContact O-N 2.81Š|
| 1572 | G | 75 | Confident | 78 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -78 | 172.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1566 W1567 G1569 V1574 P1575 A1576 | L1566-G1572 WeakPolarHBondContact O-CA 3.44Å; W1567-G1572 CarbonylContact O-C 3.57Å; G1569-G1572 PolarHBondContact O-N 2.78Å; G1572-V1574 PolarHBondContact O-N 2.72Å; G1572-P1575 WeakPolarHBondContact O-CD 2.91Å; G1572-A1576 PolarHBondContact O-N 2.67Å |
| 1573 | L | 86.4 | Confident | 79.2 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.3 | -35.9 | -174.3 | -177.3 | 56 | 0 | 0 | 0 | 113.7 | V1539 A1542 V1543 L1546 L1566 W1567 A1576 L1577 L1796 L1837 L1840 | V1539-L1573 HydrophobicContact CG1-CD1 4.08Å; A1542-L1573 HydrophobicContact CB-CB 4.07Å; A1542-L1573 HydrophobicContact CB-CD1 4.23Å; V1543-L1573 HydrophobicContact CG2-CD1 3.79Å; V1543-L1573 HydrophobicContact CG2-CD2 4.25Å; L1546-L1573 HydrophobicContact CD1-CB 3.7Å; L1546-L1573 HydrophobicContact CD1-CD2 3.65Å; L1546-L1573 HydrophobicContact CD1-CG 4.32Å; L1566-L1573 PolarHBondContact O-N 2.89Å; W1567-L1573 HydrophobicContact CE3-CB 4.44Å; W1567-L1573 HydrophobicContact CE3-CD2 4.3Å; W1567-L1573 HydrophobicContact CH2-CD2 4.29Å; W1567-L1573 HydrophobicContact CZ3-CD2 3.72Å; W1567-L1573 PolarHBondContact O-N 2.74Å; L1573-A1576 PolarHBondContact O-N 3.47Å; L1573-L1577 HydrophobicContact CD1-CD1 4.07Å; L1573-L1577 HydrophobicContact CD1-CG 4.01Å; L1573-L1577 HydrophobicContact CG-CD1 3.86Å; L1573-L1577 HydrophobicContact CG-CG 4.28Å; L1573-L1577 WeakPolarHBondContact O-CB 3.45Å; L1573-L1577 WeakPolarHBondContact O-CG 3.35Å; L1573-L1577 PolarHBondContact O-N 2.98Å; L1573-L1796 HydrophobicContact CD2-CD1 4.18Å; L1573-L1837 HydrophobicContact CD2-CD2 4.47Å; L1573-L1840 HydrophobicContact CD2-CD1 3.54Å |
| 1574 | V | 86.9 | Confident | 79.6 | Confident | 6 Ų | 6 | 26.5 Ų | 26.5 | 4% | 0.036 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.7 | -45.8 | -176.7 | -175.4 | 0 | 0 | 0 | 0 | 112 | W1567 G1572 A1576 L1577 H1578 Q1789 I1792 | W1567-V1574 WeakPolarHBondContact O-CG2 3.32Å; W1567-V1574 PolarHBondContact O-N 3.37Å; G1572-V1574 PolarHBondContact O-N 2.72Å; V1574-A1576 VanDerWaalsContact C-N 3.3Å; V1574-A1576 PolarHBondContact O-N 3.27Å; V1574-L1577 PolarHBondContact O-N 2.93Å; V1574-H1578 PolarHBondContact O-N 3.46Å; V1574-Q1789 HydrophobicContact CG1-CB 4.35Å; V1574-Q1789 HydrophobicContact CG1-CG 4.08Å; V1574-I1792 HydrophobicContact CB-CG2 4.35Å; V1574-I1792 HydrophobicContact CG1-CB 4.05Å; V1574-I1792 HydrophobicContact CG1-CG2 3.96Å; V1574-I1792 HydrophobicContact CG2-CG2 3.85Å |
| 1575 | P | 82.8 | Confident | 80.3 | Confident | 42 Ų | 42 | 27.9 Ų | 27.9 | 27% | 0.273 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63 | -31.4 | 169.6 | -28.4 | 39.5 | 0 | 0 | 0 | 114.2 | G1569 G1572 H1578 L1579 | G1569-P1575 WeakPolarHBondContact O-CG 3.4Å; G1572-P1575 WeakPolarHBondContact O-CD 2.91Å; P1575-H1578 PolarHBondContact O-N 2.81Å; P1575-L1579 PolarHBondContact O-N 3.25Å |
| 1576 | A | 85.8 | Confident | 80.5 | Confident | 8 Ų | 8 | 31.4 Ų | 31.4 | 7% | 0.066 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.4 | -43.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1538 V1539 G1572 L1573 V1574 H1578 L1579 V1580 | R1538-A1576 HydrophobicContact CB-CB 4.41Å; V1539-A1576 HydrophobicContact CG2-CB 3.84Å; G1572-A1576 PolarHBondContact O-N 2.67Å; L1573-A1576 PolarHBondContact O-N 3.47Å; V1574-A1576 VanDerWaalsContact C-N 3.3Å; V1574-A1576 PolarHBondContact O-N 3.27Å; A1576-H1578 VanDerWaalsContact C-N 3.35Å; A1576-H1578 PolarHBondContact O-N 3.42Å; A1576-L1579 WeakPolarHBondContact O-CB 3.34Å; A1576-L1579 PolarHBondContact O-N 3.14Å; A1576-V1580 PolarHBondContact O-N 3.46Å |
| 1577 | L | 89.9 | Confident | 79.7 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.2 | -33 | 174.1 | -72.1 | 168.6 | 0 | 0 | 0 | 112.5 | L1573 V1574 L1579 V1580 F1581 I1792 L1796 L1801 L1837 | L1573-L1577 HydrophobicContact CD1-CD1 4.07Å; L1573-L1577 HydrophobicContact CD1-CG 4.01Å; L1573-L1577 HydrophobicContact CG-CD1 3.86Å; L1573-L1577 HydrophobicContact CG-CG 4.28Å; L1573-L1577 WeakPolarHBondContact O-CB 3.45Å; L1573-L1577 WeakPolarHBondContact O-CG 3.35Å; L1573-L1577 PolarHBondContact O-N 2.98Å; V1574-L1577 PolarHBondContact O-N 2.93Å; L1577-L1579 VanDerWaalsContact C-N 3.25Å; L1577-L1579 PolarHBondContact O-N 3.35Å; L1577-V1580 WeakPolarHBondContact O-CB 3.3Å; L1577-V1580 PolarHBondContact O-N 3.42Å; L1577-V1580 VanDerWaalsContact O-N 3.1Å; L1577-F1581 WeakPolarHBondContact O-CD2 3.42Å; L1577-F1581 PolarHBondContact O-N 2.94Å; L1577-I1792 HydrophobicContact CD1-CG2 3.7Å; L1577-L1796 HydrophobicContact CD1-CD1 3.69Å; L1577-L1801 HydrophobicContact CD1-CD2 3.81Å; L1577-L1837 HydrophobicContact CD2-CD1 4.37Å; L1577-L1837 HydrophobicContact CD2-CD2 4.48Å |
| 1578 | H | 89 | Confident | 78.5 | Confident | 35 Ų | 35 | 35.3 Ų | 35.3 | 16% | 0.162 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.9 | -35.8 | 172.3 | -173.1 | -136.2 | 0 | 0 | 0 | 112.3 | V1574 P1575 A1576 F1581 T1582 E1785 F1788 | V1574-H1578 PolarHBondContact O-N 3.46Å; P1575-H1578 PolarHBondContact O-N 2.81Å; A1576-H1578 VanDerWaalsContact C-N 3.35Å; A1576-H1578 PolarHBondContact O-N 3.42Å; H1578-F1581 PolarHBondContact O-N 2.9Å; H1578-T1582 VanDerWaalsContact NE2-CG2 3.29Å; H1578-T1582 WeakPolarHBondContact NE2-CG2 3.2Å; H1578-T1582 PolarHBondContact O-N 3.35Å; H1578-T1582 PolarHBondContact O-OG1 2.69Å; H1578-E1785 IonicContact CD2-OE1 3.9Å; H1578-E1785 IonicContact CE1-OE1 2.7Å; H1578-E1785 PolarHBondContact CE1-OE1 2.81Å; H1578-E1785 IonicContact CE1-OE2 2.67Å; H1578-E1785 PolarHBondContact CE1-OE2 2.79Å; H1578-E1785 IonicContact CG-OE1 2.92Å; H1578-E1785 IonicContact ND1-OE1 3.29Å; H1578-E1785 PolarHBondContact ND1-OE1 3.17Å; H1578-E1785 VanDerWaalsContact ND1-OE1 3.13Å; H1578-E1785 IonicContact NE2-OE1 3.03Å; H1578-E1785 PolarHBondContact NE2-OE1 2.86Å; H1578-E1785 IonicContact NE2-OE2 3.92Å; H1578-F1788 HydrophobicContact CB-CD1 4.46Å; H1578-F1788 HydrophobicContact CB-CE1 3.69Å; H1578-F1788 HydrophobicContact CB-CZ 4.26Å; H1578-F1788 AromaticContact CD2-CE1 3.95Å |
| 1579 | L | 87 | Confident | 77.1 | Confident | 15 Ų | 15 | 45.2 Ų | 45.2 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.9 | -38.3 | 172.9 | -63.9 | 170.7 | 0 | 0 | 0 | 112 | L1530 I1535 P1575 A1576 L1577 T1582 Y1583 | L1530-L1579 HydrophobicContact CD1-CD2 4.3Å; I1535-L1579 HydrophobicContact CG1-CB 4.35Å; I1535-L1579 HydrophobicContact CG2-CB 3.96Å; P1575-L1579 PolarHBondContact O-N 3.25Å; A1576-L1579 WeakPolarHBondContact O-CB 3.34Å; A1576-L1579 PolarHBondContact O-N 3.14Å; L1577-L1579 VanDerWaalsContact C-N 3.25Å; L1577-L1579 PolarHBondContact O-N 3.35Å; L1579-T1582 WeakPolarHBondContact CA-OG1 3.47Å; L1579-T1582 PolarHBondContact O-N 3.04Å; L1579-T1582 PolarHBondContact O-OG1 3.41Å; L1579-Y1583 WeakPolarHBondContact O-CB 3.3Å; L1579-Y1583 PolarHBondContact O-N 3.2Å |
| 1580 | V | 87.6 | Confident | 76.2 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 173.3 | 176.2 | 0 | 0 | 0 | 0 | 111 | I1535 V1539 A1576 L1577 F1823 I1833 | I1535-V1580 HydrophobicContact CG2-CG2 3.8Å; V1539-V1580 HydrophobicContact CG2-CG2 3.66Å; A1576-V1580 PolarHBondContact O-N 3.46Å; L1577-V1580 WeakPolarHBondContact O-CB 3.3Å; L1577-V1580 PolarHBondContact O-N 3.42Å; L1577-V1580 VanDerWaalsContact O-N 3.1Å; V1580-F1823 HydrophobicContact CG1-CB 3.56Å; V1580-F1823 HydrophobicContact CG1-CD1 4.25Å; V1580-F1823 HydrophobicContact CG1-CD2 4.14Å; V1580-F1823 HydrophobicContact CG1-CG 3.76Å; V1580-I1833 HydrophobicContact CG1-CG1 4.41Å; V1580-I1833 HydrophobicContact CG2-CD1 4.07Å |
| 1581 | F | 88.9 | Confident | 75 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -77 | -15.3 | -179.8 | -77.5 | -75.6 | 0 | 0 | 0 | 115 | L1577 H1578 V1597 F1601 F1788 I1792 L1801 L1805 L1808 Y1818 L1824 | L1577-F1581 WeakPolarHBondContact O-CD2 3.42Å; L1577-F1581 PolarHBondContact O-N 2.94Å; H1578-F1581 PolarHBondContact O-N 2.9Å; F1581-V1597 HydrophobicContact CB-CB 4.43Å; F1581-V1597 HydrophobicContact CB-CG1 3.71Å; F1581-V1597 HydrophobicContact CB-CG2 3.81Å; F1581-V1597 HydrophobicContact CD1-CG1 4.22Å; F1581-V1597 HydrophobicContact CG-CG1 4.05Å; F1581-F1601 AromaticContact CD1-CE1 3.99Å; F1581-F1601 HydrophobicContact CD1-CE1 3.99Å; F1581-F1601 HydrophobicContact CD1-CZ 4.07Å; F1581-F1601 AromaticContact CE1-CE1 3.73Å; F1581-F1601 HydrophobicContact CE1-CE1 3.73Å; F1581-F1601 AromaticContact CE1-CZ 3.78Å; F1581-F1601 HydrophobicContact CE1-CZ 3.78Å; F1581-F1601 HydrophobicContact CE2-CZ 4.35Å; F1581-F1601 HydrophobicContact CG-CZ 4.48Å; F1581-F1601 HydrophobicContact CZ-CE1 4.32Å; F1581-F1601 AromaticContact CZ-CZ 3.94Å; F1581-F1601 HydrophobicContact CZ-CZ 3.94Å; F1581-F1788 HydrophobicContact CB-CE2 4.39Å; F1581-F1788 HydrophobicContact CB-CZ 4.5Å; F1581-F1788 AromaticContact CD2-CE2 3.77Å; F1581-F1788 HydrophobicContact CD2-CE2 3.77Å; F1581-F1788 AromaticContact CD2-CZ 3.76Å; F1581-F1788 HydrophobicContact CD2-CZ 3.76Å; F1581-F1788 HydrophobicContact CE2-CE2 4.3Å; F1581-F1788 HydrophobicContact CE2-CZ 4.42Å; F1581-F1788 HydrophobicContact CG-CE2 4.17Å; F1581-F1788 HydrophobicContact CG-CZ 4.42Å; F1581-I1792 HydrophobicContact CE2-CD1 3.97Å; F1581-L1801 HydrophobicContact CZ-CD1 4.43Å; F1581-L1805 HydrophobicContact CE1-CD2 4.12Å; F1581-L1805 HydrophobicContact CZ-CD2 3.75Å; F1581-L1808 HydrophobicContact CE1-CD1 3.89Å; F1581-L1808 HydrophobicContact CZ-CD1 4.36Å; F1581-Y1818 VanDerWaalsContact O-CE1 3.23Å; F1581-Y1818 WeakPolarHBondContact O-CE1 3.36Å; F1581-Y1818 PolarHBondContact O-OH 3.43Å; F1581-L1824 HydrophobicContact CD1-CD1 4.23Å; F1581-L1824 HydrophobicContact CD1-CD2 4.5Å; F1581-L1824 HydrophobicContact CE1-CD1 4.39Å; F1581-L1824 HydrophobicContact CE1-CD2 4.02Å |
| 1582 | T | 86.3 | Confident | 74.2 | Confident | 49 Ų | 49 | 59.6 Ų | 59.6 | 30% | 0.301 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -97.9 | -13.5 | 173.5 | 47.7 | 0 | 0 | 0 | 0 | 113.9 | H1578 L1579 G1584 F1585 V1597 | H1578-T1582 VanDerWaalsContact NE2-CG2 3.29Å; H1578-T1582 WeakPolarHBondContact NE2-CG2 3.2Å; H1578-T1582 PolarHBondContact O-N 3.35Å; H1578-T1582 PolarHBondContact O-OG1 2.69Å; L1579-T1582 WeakPolarHBondContact CA-OG1 3.47Å; L1579-T1582 PolarHBondContact O-N 3.04Å; L1579-T1582 PolarHBondContact O-OG1 3.41Å; T1582-G1584 PolarHBondContact O-N 3.11Å; T1582-F1585 WeakPolarHBondContact O-CB 3.4Å; T1582-F1585 PolarHBondContact O-N 3.44Å; T1582-V1597 HydrophobicContact CG2-CG2 3.74Å |
| 1583 | Y | 85.4 | Confident | 73.5 | Confident | 51 Ų | 51 | 70 Ų | 70 | 20% | 0.2 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 121.4 | 178 | -173.7 | -109.6 | 0 | 0 | 0 | 112.5 | L1530 I1535 L1579 F1585 R1821 S1822 F1823 | L1530-Y1583 VanDerWaalsContact O-CE2 3.29Å; L1530-Y1583 WeakPolarHBondContact O-CE2 3.48Å; I1535-Y1583 HydrophobicContact CD1-CD2 3.54Å; I1535-Y1583 HydrophobicContact CD1-CE2 4.28Å; I1535-Y1583 HydrophobicContact CD1-CG 3.88Å; L1579-Y1583 WeakPolarHBondContact O-CB 3.3Å; L1579-Y1583 PolarHBondContact O-N 3.2Å; Y1583-F1585 VanDerWaalsContact C-N 3.31Å; Y1583-R1821 WeakPolarHBondContact CE1-O 3.34Å; Y1583-S1822 VanDerWaalsContact O-CB 3.28Å; Y1583-S1822 WeakPolarHBondContact O-CB 3.48Å; Y1583-F1823 AromaticContact CD1-CD2 3.59Å; Y1583-F1823 HydrophobicContact CD1-CD2 3.59Å; Y1583-F1823 AromaticContact CD1-CE2 3.77Å; Y1583-F1823 HydrophobicContact CD1-CE2 3.77Å; Y1583-F1823 HydrophobicContact CE1-CD2 4.46Å; Y1583-F1823 HydrophobicContact CE1-CE2 4.38Å; Y1583-F1823 HydrophobicContact CG-CD2 4.07Å; Y1583-F1823 HydrophobicContact CG-CE2 4.1Å |
| 1584 | G | 76.8 | Confident | 72.5 | Confident | 18 Ų | 18 | 74.4 Ų | 74.4 | 19% | 0.186 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 14.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1582 R1586 Y1818 E1819 | T1582-G1584 PolarHBondContact O-N 3.11Å; G1584-R1586 PolarHBondContact O-N 3.34Å; G1584-Y1818 CarbonylContact O-C 3.44Å; G1584-Y1818 WeakPolarHBondContact O-CA 3.24Å; G1584-E1819 PolarHBondContact O-N 2.95Å |
| 1585 | F | 81 | Confident | 71.9 | Confident | 37 Ų | 37 | 76.6 Ų | 76.6 | 16% | 0.162 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -70.3 | 118.7 | 177 | -155.9 | -75.8 | 0 | 0 | 0 | 110.6 | T1582 Y1583 S1587 I1595 Y1600 M1817 Y1818 | T1582-F1585 WeakPolarHBondContact O-CB 3.4Å; T1582-F1585 PolarHBondContact O-N 3.44Å; Y1583-F1585 VanDerWaalsContact C-N 3.31Å; F1585-S1587 PolarHBondContact O-N 2.97Å; F1585-I1595 HydrophobicContact CE1-CB 4.04Å; F1585-I1595 HydrophobicContact CE1-CG2 3.68Å; F1585-I1595 HydrophobicContact CZ-CG2 3.8Å; F1585-Y1600 HydrophobicContact CE2-CG 4.5Å; F1585-M1817 HydrophobicContact CE1-CE 3.71Å; F1585-M1817 HydrophobicContact CE2-CE 4.32Å; F1585-M1817 HydrophobicContact CZ-CE 3.41Å; F1585-M1817 VanDerWaalsContact CZ-CE 3.41Å; F1585-Y1818 HydrophobicContact CB-CE1 4.29Å; F1585-Y1818 HydrophobicContact CD2-CD1 4.43Å; F1585-Y1818 AromaticContact CD2-CE1 3.65Å; F1585-Y1818 HydrophobicContact CD2-CE1 3.65Å; F1585-Y1818 HydrophobicContact CD2-CE2 4.07Å; F1585-Y1818 AromaticContact CD2-CZ 3.43Å; F1585-Y1818 VanDerWaalsContact CD2-CZ 3.43Å; F1585-Y1818 WeakPolarHBondContact CD2-OH 3.28Å; F1585-Y1818 HydrophobicContact CE2-CE1 4.46Å; F1585-Y1818 HydrophobicContact CE2-CE2 4.16Å; F1585-Y1818 AromaticContact CE2-CZ 3.8Å; F1585-Y1818 WeakPolarHBondContact CE2-OH 3.39Å; F1585-Y1818 HydrophobicContact CG-CE1 4.34Å |
| 1586 | R | 72.5 | Confident | 72 | Confident | 115 Ų | 115 | 75.5 Ų | 75.5 | 43% | 0.434 | 35% | 0.35 | S | S | . | . | trans | -71.9 | 98.1 | -172.5 | -64.3 | -169 | -159.9 | -161.2 | 12.6 | 111.6 | G1584 S1588 Y1815 M1817 Y1818 E1819 | G1584-R1586 PolarHBondContact O-N 3.34Å; R1586-S1588 PolarHBondContact O-N 2.98Å; R1586-S1588 VanDerWaalsContact O-N 3.09Å; R1586-Y1815 PolarHBondContact NH2-O 2.61Å; R1586-Y1815 VanDerWaalsContact NH2-O 3.09Å; R1586-M1817 WeakPolarHBondContact CB-O 3.41Å; R1586-M1817 PolarHBondContact N-O 2.79Å; R1586-Y1818 VanDerWaalsContact CZ-O 3.28Å; R1586-Y1818 VanDerWaalsContact NE-C 3.32Å; R1586-Y1818 PolarHBondContact NE-O 2.91Å; R1586-Y1818 PolarHBondContact NH2-O 3.36Å; R1586-E1819 HydrophobicContact CG-CG 3.92Å | ||
| 1587 | S | 57.1 | Low | 72 | Confident | 60 Ų | 60 | 75.2 Ų | 75.2 | 42% | 0.42 | 35% | 0.347 | S | S | . | . | trans | -59.4 | 109.4 | 175.2 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | R1528 F1585 R1589 | R1528-S1587 VanDerWaalsContact NH2-CB 3.34Å; R1528-S1587 PolarHBondContact NH2-OG 3.01Å; F1585-S1587 PolarHBondContact O-N 2.97Å; S1587-R1589 VanDerWaalsContact C-N 3.34Å; S1587-R1589 PolarHBondContact O-N 3.22Å | ||
| 1588 | S | 51 | Low | 71.9 | Confident | 61 Ų | 61 | 75.2 Ų | 75.2 | 43% | 0.427 | 35% | 0.347 | S | S | . | . | trans | -70.1 | 78.8 | 178.5 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | R1586 I1590 I1595 | R1586-S1588 PolarHBondContact O-N 2.98Å; R1586-S1588 VanDerWaalsContact O-N 3.09Å; S1588-I1590 PolarHBondContact O-N 3.29Å; S1588-I1595 WeakPolarHBondContact OG-CD1 3.28Å | ||
| 1589 | R | 46.7 | Very low | 71.9 | Confident | 221 Ų | 221 | 75 Ų | 75 | 83% | 0.834 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 2.2 | -172.5 | -62.7 | -165.5 | -172.2 | -164 | 5.1 | 116.8 | S1587 | S1587-R1589 VanDerWaalsContact C-N 3.34Å; S1587-R1589 PolarHBondContact O-N 3.22Å |
| 1590 | I | 46.7 | Very low | 72 | Confident | 144 Ų | 144 | 74.2 Ų | 74.2 | 74% | 0.738 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -22 | -171.5 | -63.4 | 177.7 | 0 | 0 | 0 | 112.9 | S1588 | S1588-I1590 PolarHBondContact O-N 3.29Š|
| 1591 | F | 41.9 | Very low | 72.2 | Confident | 173 Ų | 173 | 74.1 Ų | 74.1 | 76% | 0.759 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -138.2 | 139.9 | 171.9 | -66.7 | -73 | 0 | 0 | 0 | 111.2 | R1593 | F1591-R1593 PolarHBondContact O-N 2.99Š|
| 1592 | Q | 54 | Low | 72.2 | Confident | 211 Ų | 211 | 76.7 Ų | 76.7 | 99% | 0.986 | 36% | 0.355 | S | S | * | . | trans | -71 | 8.4 | -161.6 | -65.8 | 176.4 | -19.7 | 0 | 0 | 116.8 | K1594 | Q1592-K1594 PolarHBondContact O-N 3.35Š| ||
| 1593 | R | 59.4 | Low | 72.3 | Confident | 219 Ų | 219 | 78.5 Ų | 78.5 | 83% | 0.826 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -79.8 | 120.5 | -179.8 | -108.8 | 179.6 | 168.1 | 168.5 | -4.8 | 111.1 | F1591 I1595 | F1591-R1593 PolarHBondContact O-N 2.99Å; R1593-I1595 PolarHBondContact O-N 3.33Å |
| 1594 | K | 65.3 | Low | 72.4 | Confident | 93 Ų | 93 | 76.1 Ų | 76.1 | 40% | 0.404 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 124.5 | 167.1 | -176 | 176 | 172.4 | -178.9 | 0 | 108.6 | N1524 Q1592 Y1596 | N1524-K1594 WeakPolarHBondContact OD1-CE 3.34Å; N1524-K1594 PolarHBondContact OD1-NZ 3.13Å; Q1592-K1594 PolarHBondContact O-N 3.35Å; K1594-Y1596 HydrophobicContact CB-CE2 4.25Å; K1594-Y1596 HydrophobicContact CD-CE2 4.04Å; K1594-Y1596 WeakPolarHBondContact CD-OH 3.4Å; K1594-Y1596 WeakPolarHBondContact CE-OH 3.38Å; K1594-Y1596 HydrophobicContact CG-CE2 3.9Å; K1594-Y1596 PolarHBondContact NZ-OH 3.04Å |
| 1595 | I | 75.5 | Confident | 73 | Confident | 53 Ų | 53 | 75.4 Ų | 75.4 | 27% | 0.272 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 134.2 | 177.4 | -55.7 | -179.4 | 0 | 0 | 0 | 107.8 | F1585 S1588 R1593 D1599 M1817 | F1585-I1595 HydrophobicContact CE1-CB 4.04Å; F1585-I1595 HydrophobicContact CE1-CG2 3.68Å; F1585-I1595 HydrophobicContact CZ-CG2 3.8Å; S1588-I1595 WeakPolarHBondContact OG-CD1 3.28Å; R1593-I1595 PolarHBondContact O-N 3.33Å; I1595-D1599 HydrophobicContact CG2-CB 3.63Å; I1595-M1817 HydrophobicContact CG2-CE 3.97Å |
| 1596 | Y | 83.5 | Confident | 73.4 | Confident | 18 Ų | 18 | 78.4 Ų | 78.4 | 7% | 0.071 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -102.3 | 166 | 178.7 | -71 | -97.6 | 0 | 0 | 0 | 111.5 | E1470 D1471 K1594 W1598 D1599 Y1600 K1784 | E1470-Y1596 WeakPolarHBondContact O-CE2 3.37Å; E1470-Y1596 PolarHBondContact O-OH 3.23Å; D1471-Y1596 HydrophobicContact CB-CD1 4.28Å; D1471-Y1596 HydrophobicContact CB-CE1 3.7Å; D1471-Y1596 HydrophobicContact CB-CE2 4.33Å; D1471-Y1596 PolarHBondContact N-OH 3.12Å; K1594-Y1596 HydrophobicContact CB-CE2 4.25Å; K1594-Y1596 HydrophobicContact CD-CE2 4.04Å; K1594-Y1596 WeakPolarHBondContact CD-OH 3.4Å; K1594-Y1596 WeakPolarHBondContact CE-OH 3.38Å; K1594-Y1596 HydrophobicContact CG-CE2 3.9Å; K1594-Y1596 PolarHBondContact NZ-OH 3.04Å; Y1596-W1598 PolarHBondContact O-N 2.87Å; Y1596-D1599 PolarHBondContact N-OD2 3.2Å; Y1596-D1599 WeakPolarHBondContact O-CB 3.45Å; Y1596-D1599 PolarHBondContact O-N 3.4Å; Y1596-D1599 VanDerWaalsContact O-N 3.09Å; Y1596-Y1600 PolarHBondContact O-N 3.38Å; Y1596-K1784 HydrophobicContact CD1-CB 4.34Å; Y1596-K1784 HydrophobicContact CD2-CB 4.48Å; Y1596-K1784 HydrophobicContact CD2-CD 3.88Å; Y1596-K1784 HydrophobicContact CG-CB 4.01Å; Y1596-K1784 HydrophobicContact CG-CD 4.1Å |
| 1597 | V | 85.8 | Confident | 74 | Confident | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.2 | -33.2 | 173.4 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | F1581 T1582 D1599 Y1600 F1601 F1788 | F1581-V1597 HydrophobicContact CB-CB 4.43Å; F1581-V1597 HydrophobicContact CB-CG1 3.71Å; F1581-V1597 HydrophobicContact CB-CG2 3.81Å; F1581-V1597 HydrophobicContact CD1-CG1 4.22Å; F1581-V1597 HydrophobicContact CG-CG1 4.05Å; T1582-V1597 HydrophobicContact CG2-CG2 3.74Å; V1597-D1599 VanDerWaalsContact C-N 3.35Å; V1597-D1599 PolarHBondContact O-N 3.25Å; V1597-Y1600 WeakPolarHBondContact O-CA 3.48Å; V1597-Y1600 WeakPolarHBondContact O-CB 3.46Å; V1597-Y1600 PolarHBondContact O-N 2.91Å; V1597-F1601 HydrophobicContact CG1-CD1 4.32Å; V1597-F1601 HydrophobicContact CG1-CE1 3.9Å; V1597-F1601 HydrophobicContact CG1-CE2 4.16Å; V1597-F1601 HydrophobicContact CG1-CZ 3.81Å; V1597-F1601 PolarHBondContact O-N 3.47Å; V1597-F1788 HydrophobicContact CB-CD2 3.97Å; V1597-F1788 HydrophobicContact CB-CE2 4.22Å; V1597-F1788 HydrophobicContact CG1-CD2 3.63Å; V1597-F1788 HydrophobicContact CG1-CE2 3.6Å |
| 1598 | W | 89.4 | Confident | 75.4 | Confident | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.008 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 173.9 | -159 | -101.6 | 0 | 0 | 0 | 113.5 | Y1596 Y1600 F1601 E1602 V1772 I1775 T1776 K1784 K1787 F1788 F1791 | Y1596-W1598 PolarHBondContact O-N 2.87Å; W1598-Y1600 PolarHBondContact O-N 3.26Å; W1598-F1601 AromaticContact CE3-CD2 3.93Å; W1598-F1601 HydrophobicContact CE3-CD2 3.93Å; W1598-F1601 AromaticContact CZ3-CD2 3.95Å; W1598-F1601 HydrophobicContact CZ3-CD2 3.95Å; W1598-F1601 PolarHBondContact O-N 3.06Å; W1598-E1602 VanDerWaalsContact CD1-CD 3.46Å; W1598-E1602 PolarHBondContact NE1-OE1 3.16Å; W1598-E1602 PolarHBondContact O-N 3.35Å; W1598-V1772 HydrophobicContact CH2-CG1 4.31Å; W1598-V1772 HydrophobicContact CZ2-CG1 4Å; W1598-I1775 HydrophobicContact CH2-CB 3.99Å; W1598-I1775 HydrophobicContact CH2-CG2 3.65Å; W1598-I1775 HydrophobicContact CZ2-CB 4.31Å; W1598-I1775 HydrophobicContact CZ2-CG2 3.95Å; W1598-I1775 HydrophobicContact CZ3-CG2 4.46Å; W1598-T1776 WeakPolarHBondContact CZ2-OG1 3.35Å; W1598-T1776 PolarHBondContact NE1-OG1 3.37Å; W1598-K1784 HydrophobicContact CB-CB 3.87Å; W1598-K1784 HydrophobicContact CB-CG 4.34Å; W1598-K1784 HydrophobicContact CG-CB 4.5Å; W1598-K1787 HydrophobicContact CD2-CB 3.62Å; W1598-K1787 HydrophobicContact CD2-CD 4.42Å; W1598-K1787 HydrophobicContact CE3-CB 3.85Å; W1598-K1787 HydrophobicContact CG-CB 4.15Å; W1598-K1787 HydrophobicContact CH2-CB 4.25Å; W1598-K1787 HydrophobicContact CZ2-CB 4.04Å; W1598-K1787 HydrophobicContact CZ2-CD 4.36Å; W1598-K1787 HydrophobicContact CZ3-CB 4.16Å; W1598-K1787 WeakPolarHBondContact CZ3-O 3.26Å; W1598-F1788 HydrophobicContact CE3-CB 4.29Å; W1598-F1791 HydrophobicContact CH2-CB 4.05Å; W1598-F1791 HydrophobicContact CH2-CD2 4.22Å; W1598-F1791 HydrophobicContact CH2-CG 4.38Å; W1598-F1791 HydrophobicContact CZ3-CB 3.55Å; W1598-F1791 HydrophobicContact CZ3-CD2 4.16Å; W1598-F1791 AromaticContact CZ3-CG 3.92Å; W1598-F1791 HydrophobicContact CZ3-CG 3.92Å |
| 1599 | D | 88.1 | Confident | 77 | Confident | 29 Ų | 29 | 71.2 Ų | 71.2 | 16% | 0.155 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.5 | -20.2 | 174.8 | -68.2 | -71.2 | 0 | 0 | 0 | 112.6 | I1595 Y1596 V1597 K1603 K1784 | I1595-D1599 HydrophobicContact CG2-CB 3.63Å; Y1596-D1599 PolarHBondContact N-OD2 3.2Å; Y1596-D1599 WeakPolarHBondContact O-CB 3.45Å; Y1596-D1599 PolarHBondContact O-N 3.4Å; Y1596-D1599 VanDerWaalsContact O-N 3.09Å; V1597-D1599 VanDerWaalsContact C-N 3.35Å; V1597-D1599 PolarHBondContact O-N 3.25Å; D1599-K1603 WeakPolarHBondContact O-CD 3.35Å; D1599-K1603 WeakPolarHBondContact O-CE 3.33Å; D1599-K1603 WeakPolarHBondContact O-CG 3.41Å; D1599-K1784 IonicContact OD1-NZ 3.24Å; D1599-K1784 PolarHBondContact OD1-NZ 3.36Å; D1599-K1784 WeakPolarHBondContact OD2-CD 3.43Å; D1599-K1784 IonicContact OD2-NZ 3.19Å; D1599-K1784 PolarHBondContact OD2-NZ 3.44Å |
| 1600 | Y | 89.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -84 | -46.1 | 171.8 | 160.3 | -107.8 | 0 | 0 | 0 | 111 | F1585 Y1596 V1597 W1598 E1602 K1603 V1604 L1808 I1813 T1814 M1817 Y1818 L1824 | F1585-Y1600 HydrophobicContact CE2-CG 4.5Å; Y1596-Y1600 PolarHBondContact O-N 3.38Å; V1597-Y1600 WeakPolarHBondContact O-CA 3.48Å; V1597-Y1600 WeakPolarHBondContact O-CB 3.46Å; V1597-Y1600 PolarHBondContact O-N 2.91Å; W1598-Y1600 PolarHBondContact O-N 3.26Å; Y1600-E1602 PolarHBondContact O-N 3.29Å; Y1600-K1603 PolarHBondContact O-N 3.28Å; Y1600-V1604 HydrophobicContact CD2-CG2 3.83Å; Y1600-V1604 HydrophobicContact CE2-CG2 3.35Å; Y1600-V1604 WeakPolarHBondContact O-CG2 3.31Å; Y1600-V1604 PolarHBondContact O-N 3.41Å; Y1600-L1808 HydrophobicContact CE1-CD2 4.32Å; Y1600-I1813 HydrophobicContact CD2-CG2 4.23Å; Y1600-I1813 HydrophobicContact CE2-CG2 4.4Å; Y1600-T1814 HydrophobicContact CE2-CG2 4.34Å; Y1600-T1814 WeakPolarHBondContact CE2-OG1 3.31Å; Y1600-T1814 WeakPolarHBondContact OH-CG2 3.32Å; Y1600-T1814 PolarHBondContact OH-OG1 3.41Å; Y1600-M1817 HydrophobicContact CD2-SD 4.18Å; Y1600-Y1818 AromaticContact CD1-CE2 3.99Å; Y1600-Y1818 HydrophobicContact CD1-CE2 3.99Å; Y1600-Y1818 AromaticContact CD2-CE2 3.86Å; Y1600-Y1818 HydrophobicContact CD2-CE2 3.86Å; Y1600-Y1818 AromaticContact CE1-CE2 3.9Å; Y1600-Y1818 HydrophobicContact CE1-CE2 3.9Å; Y1600-Y1818 HydrophobicContact CE2-CD2 4.33Å; Y1600-Y1818 AromaticContact CE2-CE2 3.76Å; Y1600-Y1818 HydrophobicContact CE2-CE2 3.76Å; Y1600-Y1818 AromaticContact CG-CE2 3.98Å; Y1600-Y1818 HydrophobicContact CG-CE2 3.98Å; Y1600-Y1818 AromaticContact CZ-CE2 3.79Å; Y1600-L1824 HydrophobicContact CE1-CD1 3.91Å |
| 1601 | F | 91.1 | Very high | 80.2 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 176.4 | -71 | -7.8 | 0 | 0 | 0 | 112.6 | F1581 V1597 W1598 K1603 V1604 A1605 F1768 V1772 F1788 F1791 L1808 | F1581-F1601 AromaticContact CD1-CE1 3.99Å; F1581-F1601 HydrophobicContact CD1-CE1 3.99Å; F1581-F1601 HydrophobicContact CD1-CZ 4.07Å; F1581-F1601 AromaticContact CE1-CE1 3.73Å; F1581-F1601 HydrophobicContact CE1-CE1 3.73Å; F1581-F1601 AromaticContact CE1-CZ 3.78Å; F1581-F1601 HydrophobicContact CE1-CZ 3.78Å; F1581-F1601 HydrophobicContact CE2-CZ 4.35Å; F1581-F1601 HydrophobicContact CG-CZ 4.48Å; F1581-F1601 HydrophobicContact CZ-CE1 4.32Å; F1581-F1601 AromaticContact CZ-CZ 3.94Å; F1581-F1601 HydrophobicContact CZ-CZ 3.94Å; V1597-F1601 HydrophobicContact CG1-CD1 4.32Å; V1597-F1601 HydrophobicContact CG1-CE1 3.9Å; V1597-F1601 HydrophobicContact CG1-CE2 4.16Å; V1597-F1601 HydrophobicContact CG1-CZ 3.81Å; V1597-F1601 PolarHBondContact O-N 3.47Å; W1598-F1601 AromaticContact CE3-CD2 3.93Å; W1598-F1601 HydrophobicContact CE3-CD2 3.93Å; W1598-F1601 AromaticContact CZ3-CD2 3.95Å; W1598-F1601 HydrophobicContact CZ3-CD2 3.95Å; W1598-F1601 PolarHBondContact O-N 3.06Å; F1601-K1603 VanDerWaalsContact C-N 3.32Å; F1601-K1603 PolarHBondContact O-N 2.87Å; F1601-V1604 PolarHBondContact O-N 3.04Å; F1601-A1605 VanDerWaalsContact O-CB 3.25Å; F1601-A1605 WeakPolarHBondContact O-CB 3.4Å; F1601-A1605 PolarHBondContact O-N 3.09Å; F1601-F1768 HydrophobicContact CB-CZ 4.06Å; F1601-F1768 HydrophobicContact CD1-CE2 4.36Å; F1601-F1768 HydrophobicContact CD1-CZ 4.06Å; F1601-F1768 HydrophobicContact CG-CE2 4.42Å; F1601-F1768 HydrophobicContact CG-CZ 4.08Å; F1601-V1772 HydrophobicContact CB-CG2 4.18Å; F1601-F1788 HydrophobicContact CD2-CD2 4.39Å; F1601-F1788 AromaticContact CE2-CD2 3.62Å; F1601-F1788 HydrophobicContact CE2-CD2 3.62Å; F1601-F1788 AromaticContact CE2-CE2 3.82Å; F1601-F1788 HydrophobicContact CE2-CE2 3.82Å; F1601-F1788 HydrophobicContact CZ-CD2 4.14Å; F1601-F1788 AromaticContact CZ-CE2 3.9Å; F1601-F1788 HydrophobicContact CZ-CE2 3.9Å; F1601-F1791 HydrophobicContact CD2-CD1 4.13Å; F1601-F1791 HydrophobicContact CD2-CE1 4.14Å; F1601-F1791 AromaticContact CE2-CD1 3.57Å; F1601-F1791 HydrophobicContact CE2-CD1 3.57Å; F1601-F1791 AromaticContact CE2-CE1 3.55Å; F1601-F1791 HydrophobicContact CE2-CE1 3.55Å; F1601-F1791 HydrophobicContact CE2-CG 4.35Å; F1601-F1791 HydrophobicContact CE2-CZ 4.29Å; F1601-F1791 HydrophobicContact CZ-CD1 4.45Å; F1601-F1791 HydrophobicContact CZ-CE1 4.08Å; F1601-L1808 HydrophobicContact CE1-CD1 3.97Å |
| 1602 | E | 88.9 | Confident | 81.5 | Confident | 54 Ų | 54 | 55.5 Ų | 55.5 | 25% | 0.252 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.7 | -37.2 | 176.3 | -72.6 | -174.9 | 156.9 | 0 | 0 | 112.1 | W1598 Y1600 N1606 V1772 T1776 | W1598-E1602 VanDerWaalsContact CD1-CD 3.46Å; W1598-E1602 PolarHBondContact NE1-OE1 3.16Å; W1598-E1602 PolarHBondContact O-N 3.35Å; Y1600-E1602 PolarHBondContact O-N 3.29Å; E1602-N1606 WeakPolarHBondContact O-CB 3.45Å; E1602-N1606 PolarHBondContact O-N 3.08Å; E1602-N1606 PolarHBondContact O-ND2 2.85Å; E1602-V1772 HydrophobicContact CG-CG1 4Å; E1602-T1776 PolarHBondContact OE1-OG1 2.87Å |
| 1603 | K | 88.8 | Confident | 81.8 | Confident | 88 Ų | 88 | 51.5 Ų | 51.5 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.9 | -44.2 | 175.9 | -76.9 | 173.1 | -166.4 | 160.9 | 0 | 112.3 | D1599 Y1600 F1601 N1606 D1607 I1813 M1817 | D1599-K1603 WeakPolarHBondContact O-CD 3.35Å; D1599-K1603 WeakPolarHBondContact O-CE 3.33Å; D1599-K1603 WeakPolarHBondContact O-CG 3.41Å; Y1600-K1603 PolarHBondContact O-N 3.28Å; F1601-K1603 VanDerWaalsContact C-N 3.32Å; F1601-K1603 PolarHBondContact O-N 2.87Å; K1603-N1606 PolarHBondContact O-N 2.94Å; K1603-D1607 WeakPolarHBondContact O-CB 3.3Å; K1603-D1607 PolarHBondContact O-N 3.45Å; K1603-I1813 HydrophobicContact CB-CD1 4.1Å; K1603-I1813 HydrophobicContact CB-CG2 4.17Å; K1603-I1813 WeakPolarHBondContact O-CD1 3.31Å; K1603-M1817 HydrophobicContact CD-SD 3.83Å |
| 1604 | V | 88.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.8 | -42.1 | 178.4 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | Y1600 F1601 N1606 D1607 F1608 F1768 L1808 I1813 | Y1600-V1604 HydrophobicContact CD2-CG2 3.83Å; Y1600-V1604 HydrophobicContact CE2-CG2 3.35Å; Y1600-V1604 WeakPolarHBondContact O-CG2 3.31Å; Y1600-V1604 PolarHBondContact O-N 3.41Å; F1601-V1604 PolarHBondContact O-N 3.04Å; V1604-N1606 VanDerWaalsContact C-N 3.34Å; V1604-N1606 PolarHBondContact O-N 3.34Å; V1604-D1607 PolarHBondContact O-N 3.14Å; V1604-F1608 HydrophobicContact CG1-CD1 4.43Å; V1604-F1608 HydrophobicContact CG1-CD2 3.8Å; V1604-F1608 HydrophobicContact CG1-CE1 4.05Å; V1604-F1608 HydrophobicContact CG1-CE2 3.34Å; V1604-F1608 HydrophobicContact CG1-CG 4.33Å; V1604-F1608 HydrophobicContact CG1-CZ 3.49Å; V1604-F1608 VanDerWaalsContact CG1-CZ 3.49Å; V1604-F1608 WeakPolarHBondContact O-CG 3.46Å; V1604-F1608 PolarHBondContact O-N 3.29Å; V1604-F1768 HydrophobicContact CB-CE1 4.44Å; V1604-F1768 HydrophobicContact CG1-CE1 4.17Å; V1604-L1808 HydrophobicContact CB-CD2 4.41Å; V1604-L1808 HydrophobicContact CG1-CD2 3.84Å; V1604-I1813 HydrophobicContact CG2-CB 4.1Å; V1604-I1813 HydrophobicContact CG2-CG2 4.03Å |
| 1605 | A | 89.2 | Confident | 79.6 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 3% | 0.025 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.2 | -44.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1601 F1608 L1609 F1768 T1769 V1772 | F1601-A1605 VanDerWaalsContact O-CB 3.25Å; F1601-A1605 WeakPolarHBondContact O-CB 3.4Å; F1601-A1605 PolarHBondContact O-N 3.09Å; A1605-F1608 PolarHBondContact O-N 3Å; A1605-L1609 WeakPolarHBondContact O-CB 3.47Å; A1605-L1609 PolarHBondContact O-N 3.35Å; A1605-F1768 HydrophobicContact CB-CE1 4.08Å; A1605-T1769 HydrophobicContact CB-CG2 4.13Å; A1605-T1769 WeakPolarHBondContact O-CG2 3.38Å; A1605-V1772 HydrophobicContact CB-CB 4.03Å; A1605-V1772 HydrophobicContact CB-CG1 3.91Å; A1605-V1772 HydrophobicContact CB-CG2 4.37Å |
| 1606 | N | 87.8 | Confident | 77.6 | Confident | 100 Ų | 100 | 51.2 Ų | 51.2 | 54% | 0.535 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.6 | -37.2 | 176.1 | -76.8 | -55.6 | 0 | 0 | 0 | 113.1 | E1602 K1603 V1604 L1609 A1610 | E1602-N1606 WeakPolarHBondContact O-CB 3.45Å; E1602-N1606 PolarHBondContact O-N 3.08Å; E1602-N1606 PolarHBondContact O-ND2 2.85Å; K1603-N1606 PolarHBondContact O-N 2.94Å; V1604-N1606 VanDerWaalsContact C-N 3.34Å; V1604-N1606 PolarHBondContact O-N 3.34Å; N1606-L1609 PolarHBondContact O-N 2.65Å; N1606-A1610 VanDerWaalsContact O-CB 3.28Å; N1606-A1610 WeakPolarHBondContact O-CB 3.4Å; N1606-A1610 PolarHBondContact O-N 3.05Å |
| 1607 | D | 85.9 | Confident | 75.2 | Confident | 31 Ų | 31 | 56.9 Ų | 56.9 | 17% | 0.166 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.7 | -39 | 176.1 | -178.2 | 72 | 0 | 0 | 0 | 112.7 | K1603 V1604 K1611 I1813 | K1603-D1607 WeakPolarHBondContact O-CB 3.3Å; K1603-D1607 PolarHBondContact O-N 3.45Å; V1604-D1607 PolarHBondContact O-N 3.14Å; D1607-K1611 WeakPolarHBondContact O-CB 3.45Å; D1607-K1611 WeakPolarHBondContact O-CD 3.29Å; D1607-K1611 VanDerWaalsContact O-CG 3.3Å; D1607-K1611 WeakPolarHBondContact O-CG 3.39Å; D1607-K1611 PolarHBondContact O-N 3.1Å; D1607-K1611 WeakPolarHBondContact OD1-CE 3.45Å; D1607-K1611 IonicContact OD1-NZ 2.64Å; D1607-K1611 PolarHBondContact OD1-NZ 2.7Å; D1607-K1611 IonicContact OD2-NZ 3.22Å; D1607-K1611 PolarHBondContact OD2-NZ 3.03Å; D1607-I1813 HydrophobicContact CB-CD1 3.51Å; D1607-I1813 HydrophobicContact CB-CG1 4.44Å |
| 1608 | F | 86.6 | Confident | 72.5 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 0% | 0.004 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.4 | -46.7 | 171.3 | -68.2 | -19 | 0 | 0 | 0 | 111.2 | V1604 A1605 A1610 K1611 L1612 L1754 A1765 F1768 I1807 | V1604-F1608 HydrophobicContact CG1-CD1 4.43Å; V1604-F1608 HydrophobicContact CG1-CD2 3.8Å; V1604-F1608 HydrophobicContact CG1-CE1 4.05Å; V1604-F1608 HydrophobicContact CG1-CE2 3.34Å; V1604-F1608 HydrophobicContact CG1-CG 4.33Å; V1604-F1608 HydrophobicContact CG1-CZ 3.49Å; V1604-F1608 VanDerWaalsContact CG1-CZ 3.49Å; V1604-F1608 WeakPolarHBondContact O-CG 3.46Å; V1604-F1608 PolarHBondContact O-N 3.29Å; A1605-F1608 PolarHBondContact O-N 3Å; F1608-A1610 VanDerWaalsContact C-N 3.31Å; F1608-A1610 PolarHBondContact O-N 3.39Å; F1608-K1611 PolarHBondContact O-N 3.36Å; F1608-K1611 VanDerWaalsContact O-N 3.07Å; F1608-L1612 HydrophobicContact CB-CD1 4.25Å; F1608-L1612 VanDerWaalsContact O-CB 3.29Å; F1608-L1612 WeakPolarHBondContact O-CB 3.45Å; F1608-L1612 VanDerWaalsContact O-CG 3.31Å; F1608-L1612 WeakPolarHBondContact O-CG 3.33Å; F1608-L1612 PolarHBondContact O-N 2.9Å; F1608-L1754 HydrophobicContact CD1-CD1 4.09Å; F1608-L1754 HydrophobicContact CD1-CD2 4.02Å; F1608-L1754 HydrophobicContact CE1-CD1 4.06Å; F1608-L1754 HydrophobicContact CE1-CD2 3.98Å; F1608-A1765 HydrophobicContact CD2-CB 3.99Å; F1608-A1765 HydrophobicContact CE2-CB 4.22Å; F1608-A1765 HydrophobicContact CG-CB 4.34Å; F1608-F1768 HydrophobicContact CD2-CD1 4.16Å; F1608-F1768 HydrophobicContact CE2-CD1 4.26Å; F1608-I1807 HydrophobicContact CE2-CG2 3.65Å; F1608-I1807 HydrophobicContact CZ-CG2 3.64Å |
| 1609 | L | 84.2 | Confident | 69.7 | Low | 53 Ų | 53 | 72.3 Ų | 72.3 | 28% | 0.277 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 177.4 | -159.8 | 100.8 | 0 | 0 | 0 | 111.8 | A1605 N1606 K1611 Q1613 T1769 | A1605-L1609 WeakPolarHBondContact O-CB 3.47Å; A1605-L1609 PolarHBondContact O-N 3.35Å; N1606-L1609 PolarHBondContact O-N 2.65Å; L1609-K1611 PolarHBondContact O-N 3.34Å; L1609-Q1613 WeakPolarHBondContact O-CG 3.36Å; L1609-Q1613 PolarHBondContact O-N 2.75Å; L1609-Q1613 VanDerWaalsContact O-N 3.11Å; L1609-T1769 HydrophobicContact CB-CG2 4.1Å; L1609-T1769 HydrophobicContact CD1-CG2 3.64Å |
| 1610 | A | 82.1 | Confident | 67 | Low | 73 Ų | 73 | 80.1 Ų | 80.1 | 60% | 0.603 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.2 | -21 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1606 F1608 | N1606-A1610 VanDerWaalsContact O-CB 3.28Å; N1606-A1610 WeakPolarHBondContact O-CB 3.4Å; N1606-A1610 PolarHBondContact O-N 3.05Å; F1608-A1610 VanDerWaalsContact C-N 3.31Å; F1608-A1610 PolarHBondContact O-N 3.39Å |
| 1611 | K | 78 | Confident | 64.1 | Low | 94 Ų | 94 | 87.1 Ų | 87.1 | 41% | 0.409 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -102.8 | -19.8 | 179.5 | -70.2 | 169.7 | -173.5 | 165.2 | 0 | 114 | D1607 F1608 L1609 L1754 | D1607-K1611 WeakPolarHBondContact O-CB 3.45Å; D1607-K1611 WeakPolarHBondContact O-CD 3.29Å; D1607-K1611 VanDerWaalsContact O-CG 3.3Å; D1607-K1611 WeakPolarHBondContact O-CG 3.39Å; D1607-K1611 PolarHBondContact O-N 3.1Å; D1607-K1611 WeakPolarHBondContact OD1-CE 3.45Å; D1607-K1611 IonicContact OD1-NZ 2.64Å; D1607-K1611 PolarHBondContact OD1-NZ 2.7Å; D1607-K1611 IonicContact OD2-NZ 3.22Å; D1607-K1611 PolarHBondContact OD2-NZ 3.03Å; F1608-K1611 PolarHBondContact O-N 3.36Å; F1608-K1611 VanDerWaalsContact O-N 3.07Å; L1609-K1611 PolarHBondContact O-N 3.34Å; K1611-L1754 HydrophobicContact CD-CD1 3.6Å |
| 1612 | L | 71 | Confident | 61.1 | Low | 41 Ų | 41 | 95.3 Ų | 95.3 | 22% | 0.215 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -99 | -7 | 178.5 | -65.8 | 172.1 | 0 | 0 | 0 | 113 | F1608 Q1762 A1765 L1766 | F1608-L1612 HydrophobicContact CB-CD1 4.25Å; F1608-L1612 VanDerWaalsContact O-CB 3.29Å; F1608-L1612 WeakPolarHBondContact O-CB 3.45Å; F1608-L1612 VanDerWaalsContact O-CG 3.31Å; F1608-L1612 WeakPolarHBondContact O-CG 3.33Å; F1608-L1612 PolarHBondContact O-N 2.9Å; L1612-Q1762 HydrophobicContact CD2-CB 4.07Å; L1612-Q1762 HydrophobicContact CD2-CG 4.04Å; L1612-A1765 HydrophobicContact CD1-CB 4.01Å; L1612-L1766 HydrophobicContact CD1-CD1 4.44Å |
| 1613 | Q | 58.9 | Low | 58.2 | Low | 127 Ų | 127 | 101.5 Ų | 101.5 | 59% | 0.593 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -59 | 129.6 | 162.6 | -84.8 | -176.3 | 9.2 | 0 | 0 | 109.5 | L1609 T1615 | L1609-Q1613 WeakPolarHBondContact O-CG 3.36Å; L1609-Q1613 PolarHBondContact O-N 2.75Å; L1609-Q1613 VanDerWaalsContact O-N 3.11Å; Q1613-T1615 PolarHBondContact O-N 3.44Å |
| 1614 | P | 44.4 | Very low | 55.2 | Low | 112 Ų | 112 | 106.1 Ų | 106.1 | 73% | 0.727 | 55% | 0.55 | S | S | * | * | trans | -63.6 | 122 | 175.6 | 26.6 | -33.2 | 0 | 0 | 0 | 109 | N1616 | P1614-N1616 PolarHBondContact O-N 2.97Š| ||
| 1615 | T | 35.4 | Very low | 52.3 | Low | 129 Ų | 129 | 114.8 Ų | 114.8 | 79% | 0.791 | 59% | 0.591 | S | S | * | * | trans | -65.2 | 105.1 | 172.5 | 35.7 | 0 | 0 | 0 | 0 | 109.1 | Q1613 V1617 | Q1613-T1615 PolarHBondContact O-N 3.44Å; T1615-V1617 WeakPolarHBondContact O-CG2 3.47Å; T1615-V1617 PolarHBondContact O-N 3.37Å | ||
| 1616 | N | 31.5 | Very low | 49.4 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 64% | 0.636 | 63% | 0.63 | S | S | * | * | trans | -53.8 | 113.3 | 176.9 | -78.9 | -21.9 | 0 | 0 | 0 | 110.2 | P1614 E1618 | P1614-N1616 PolarHBondContact O-N 2.97Å; N1616-E1618 PolarHBondContact O-N 3Å | ||
| 1617 | V | 33.6 | Very low | 46.5 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 83% | 0.83 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 33.9 | 179.2 | -164.8 | 0 | 0 | 0 | 0 | 111.1 | T1615 | T1615-V1617 WeakPolarHBondContact O-CG2 3.47Å; T1615-V1617 PolarHBondContact O-N 3.37Å |
| 1618 | E | 29.6 | Very low | 43.8 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 73% | 0.729 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128 | -4 | -175.6 | -62.8 | -163.4 | 134.7 | 0 | 0 | 113 | N1616 | N1616-E1618 PolarHBondContact O-N 3Š|
| 1619 | Q | 31.2 | Very low | 40.8 | Very low | 172 Ų | 172 | 139.3 Ų | 139.3 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -115.6 | 1.8 | 178.9 | -67.6 | -165.7 | -1.9 | 0 | 0 | 115.9 | ||
| 1620 | Q | 29.9 | Very low | 38.1 | Very low | 193 Ų | 193 | 142.6 Ų | 142.6 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -94.5 | -8 | 163.6 | -77.5 | -171.2 | -22.2 | 0 | 0 | 113.8 | ||
| 1621 | N | 29.2 | Very low | 35.4 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -104.8 | 44.2 | 177.7 | -101.4 | -10.6 | 0 | 0 | 0 | 112.9 | ||
| 1622 | Q | 28.9 | Very low | 33 | Very low | 171 Ų | 171 | 154 Ų | 154 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -154.1 | 28.6 | 171.6 | -132.4 | 161.3 | 106.6 | 0 | 0 | 116.5 | ||
| 1623 | Q | 27 | Very low | 30.9 | Very low | 185 Ų | 185 | 158.4 Ų | 158.4 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -147.5 | 28.9 | 167.8 | -141.7 | 163.3 | 96.3 | 0 | 0 | 116.5 | ||
| 1624 | Q | 26.5 | Very low | 29.6 | Very low | 184 Ų | 184 | 157.5 Ų | 157.5 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -157.6 | 154 | 155.7 | -114.1 | 158.2 | 67.5 | 0 | 0 | 110.2 | ||
| 1625 | Q | 27.7 | Very low | 28.8 | Very low | 183 Ų | 183 | 159.9 Ų | 159.9 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | 59.8 | 86.2 | -176.5 | -55.7 | -172.6 | 16.5 | 0 | 0 | 116.4 | ||||
| 1626 | Q | 29 | Very low | 28.2 | Very low | 182 Ų | 182 | 160.7 Ų | 160.7 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | -171.7 | 100.8 | 102.2 | -98.4 | 176.8 | 10.4 | 0 | 0 | 111.6 | |||||
| 1627 | Q | 26.1 | Very low | 28 | Very low | 201 Ų | 201 | 163.6 Ų | 163.6 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | S | Bend | -98.9 | 130.4 | 126.2 | -83.3 | -176 | -27.2 | 0 | 0 | 105.7 | |||
| 1628 | S | 28.6 | Very low | 27.7 | Very low | 106 Ų | 106 | 162.6 Ų | 162.6 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | -79.8 | 138 | 179.4 | 50.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1629 | M | 24.9 | Very low | 27.4 | Very low | 161 Ų | 161 | 160.1 Ų | 160.1 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -3.7 | 136.4 | 143.2 | -64.1 | -79 | -74 | 0 | 0 | 115.6 | ||||
| 1630 | D | 25.9 | Very low | 27.1 | Very low | 122 Ų | 122 | 157 Ų | 157 | 65% | 0.652 | 80% | 0.797 | S | S | * | * | -163.8 | 166 | 81.1 | -135.7 | -20.7 | 0 | 0 | 0 | 116 | |||||
| 1631 | F | 27.3 | Very low | 26.8 | Very low | 170 Ų | 170 | 158.7 Ų | 158.7 | 75% | 0.746 | 80% | 0.795 | S | S | * | * | trans | 53.5 | 89.5 | 163.7 | -78.2 | -75.4 | 0 | 0 | 0 | 121 | ||||
| 1632 | R | 26 | Very low | 26.7 | Very low | 237 Ų | 237 | 158.3 Ų | 158.3 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | 177.6 | 153.9 | 91 | -96.9 | -177.7 | -179.4 | 174.8 | 1.4 | 114.4 | |||||
| 1633 | V | 26.9 | Very low | 26.5 | Very low | 133 Ų | 133 | 155.9 Ų | 155.9 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -118.9 | 138.3 | 174.2 | 165.8 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 1634 | P | 32.2 | Very low | 26.6 | Very low | 107 Ų | 107 | 154.1 Ų | 154.1 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | -147.8 | 150.4 | 75.8 | 38 | -17.2 | 0 | 0 | 0 | 119.9 | |||||
| 1635 | E | 26.7 | Very low | 26.7 | Very low | 163 Ų | 163 | 152.7 Ų | 152.7 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | 61.2 | 121.7 | 136.3 | -63.8 | -177.3 | 135.5 | 0 | 0 | 123.9 | ||||
| 1636 | L | 24 | Very low | 27.3 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | 50 | 107.4 | 131.3 | -65 | 162.6 | 0 | 0 | 0 | 120 | ||||
| 1637 | Q | 27.8 | Very low | 27.4 | Very low | 179 Ų | 179 | 149.1 Ų | 149.1 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | -172.3 | 141.9 | 97.6 | -99.3 | 176.3 | 21.6 | 0 | 0 | 115.3 | |||||
| 1638 | T | 26.3 | Very low | 27.5 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | trans | 21.4 | 134.5 | 153.2 | 54.6 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1639 | S | 24.4 | Very low | 27.6 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | 74.6 | 107.4 | 137.6 | 58.6 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1640 | S | 24 | Very low | 27.7 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | 69.9 | 112.4 | 132.4 | 62.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1641 | R | 24 | Very low | 27.9 | Very low | 229 Ų | 229 | 142.8 Ų | 142.8 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | 87.2 | 129.5 | 129.9 | -85.5 | -172.4 | 178.3 | -170.6 | 1 | 122.2 | |||||
| 1642 | I | 26.7 | Very low | 28 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | trans | 96.9 | 116.1 | 148.1 | -64.3 | 155.6 | 0 | 0 | 0 | 119.1 | ||||
| 1643 | N | 24.9 | Very low | 28.8 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 64% | 0.642 | 75% | 0.752 | S | S | * | * | trans | 7 | 153.3 | 145.3 | -33.5 | -10.3 | 0 | 0 | 0 | 120 | ||||
| 1644 | H | 28.3 | Very low | 29 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | cis | -169.5 | 143.1 | 44 | -102.1 | -64.8 | 0 | 0 | 0 | 114.6 | ||||
| 1645 | L | 28.5 | Very low | 28.9 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | trans | 67.6 | 163 | 137.3 | -68 | 170.6 | 0 | 0 | 0 | 122.6 | ||||
| 1646 | P | 41.6 | Very low | 29.1 | Very low | 94 Ų | 94 | 140 Ų | 140 | 61% | 0.61 | 76% | 0.755 | S | S | * | * | trans | -136 | -165 | -148.1 | 47.4 | -31 | 0 | 0 | 0 | 115.6 | ||||
| 1647 | F | 31.3 | Very low | 29.5 | Very low | 196 Ų | 196 | 138 Ų | 138 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | 179.4 | 127.6 | 134.9 | -92.6 | -62.1 | 0 | 0 | 0 | 109.9 | ||||
| 1648 | S | 27.9 | Very low | 29.6 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | 77.5 | 134.6 | 99.9 | -169.3 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1649 | A | 29.4 | Very low | 29.7 | Very low | 74 Ų | 74 | 138 Ų | 138 | 61% | 0.612 | 74% | 0.743 | S | S | * | * | cis | -170.3 | 172.4 | -14 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1650 | N | 27.7 | Very low | 30 | Very low | 153 Ų | 153 | 140 Ų | 140 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | 69.7 | 110.6 | 153.1 | -61.7 | -19.4 | 0 | 0 | 0 | 123.1 | ||||
| 1651 | S | 29.1 | Very low | 30.2 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | 159.5 | 161.9 | 108.3 | 56.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1652 | L | 30.7 | Very low | 30.3 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 87% | 0.874 | 72% | 0.724 | S | S | * | * | trans | -151.9 | 178 | -171.4 | -86.2 | 174.1 | 0 | 0 | 0 | 108.6 | ||||
| 1653 | P | 42 | Very low | 30.3 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | cis | -150.1 | -167.3 | 22.9 | 44.5 | -22.7 | 0 | 0 | 0 | 118.9 | ||||
| 1654 | R | 30.8 | Very low | 30.5 | Very low | 239 Ų | 239 | 136.9 Ų | 136.9 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | trans | 79 | 146.4 | 159.1 | -71.2 | 173.6 | 177.1 | 167.7 | -1.6 | 118.7 | ||||
| 1655 | S | 31.3 | Very low | 30.5 | Very low | 90 Ų | 90 | 138.2 Ų | 138.2 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | cis | -176 | 125.7 | -11.5 | 171.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1656 | L | 30.5 | Very low | 30.5 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | trans | 63.9 | 152.6 | 154.7 | -56.9 | 171.3 | 0 | 0 | 0 | 118.9 | ||||
| 1657 | T | 32.2 | Very low | 30 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 64% | 0.638 | 74% | 0.741 | S | S | * | * | cis | -169.2 | 141.6 | -4.6 | 20.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1658 | L | 30.4 | Very low | 30 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | trans | 64.5 | 152.9 | 144.2 | -55.7 | 167 | 0 | 0 | 0 | 119.8 | ||||
| 1659 | K | 28.9 | Very low | 30.1 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | cis | -166.6 | 155.2 | -6.3 | -126.7 | 172.7 | 172.9 | -169.9 | 0 | 113.1 | ||||
| 1660 | H | 29.9 | Very low | 30.2 | Very low | 145 Ų | 145 | 139 Ų | 139 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | 65.7 | 154.4 | 150.3 | -71.5 | -43.3 | 0 | 0 | 0 | 121.8 | ||||
| 1661 | N | 27.6 | Very low | 30.1 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | cis | -172.3 | 167.2 | -30.9 | -137 | 11.5 | 0 | 0 | 0 | 113.3 | ||||
| 1662 | C | 27.9 | Very low | 30.1 | Very low | 84 Ų | 84 | 141.9 Ų | 141.9 | 57% | 0.568 | 73% | 0.731 | S | S | * | * | trans | 73.2 | 155.7 | 149.4 | -69.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1663 | Y | 26.6 | Very low | 29.8 | Very low | 220 Ų | 220 | 139.9 Ų | 139.9 | 86% | 0.863 | 72% | 0.717 | S | S | * | * | cis | -160.3 | -167.8 | -3.4 | -125.3 | -34.1 | 0 | 0 | 0 | 115.5 | ||||
| 1664 | S | 28 | Very low | 29.2 | Very low | 93 Ų | 93 | 142.3 Ų | 142.3 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | trans | 86.6 | 143 | 173.9 | -84.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 1665 | Q | 27.5 | Very low | 28.8 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | cis | -165.1 | 148.9 | -16.1 | -145.1 | 178.1 | 110.5 | 0 | 0 | 114.3 | ||||
| 1666 | G | 28.7 | Very low | 29.1 | Very low | 69 Ų | 69 | 138.7 Ų | 138.7 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | 79.5 | 174.5 | 145.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1667 | N | 31 | Very low | 28.9 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | cis | -164.8 | 163.7 | -28.1 | -158.3 | 12.2 | 0 | 0 | 0 | 112.5 | ||||
| 1668 | N | 32.2 | Very low | 28.7 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 65% | 0.647 | 73% | 0.729 | S | S | * | * | trans | 63.4 | 146.1 | 168.6 | -60.7 | -17.4 | 0 | 0 | 0 | 119.1 | ||||
| 1669 | N | 30.8 | Very low | 28.5 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | cis | -161.8 | 142.8 | -29 | -98.6 | -25.4 | 0 | 0 | 0 | 107 | ||||
| 1670 | H | 29.8 | Very low | 28.4 | Very low | 191 Ų | 191 | 141.4 Ų | 141.4 | 88% | 0.884 | 74% | 0.74 | S | S | * | * | -150.2 | 165.5 | 73 | -96.1 | -81 | 0 | 0 | 0 | 113.1 | |||||
| 1671 | K | 25.6 | Very low | 28.1 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 71% | 0.709 | 74% | 0.737 | S | S | * | * | trans | -141.3 | 162.8 | 173.9 | -67 | 178.5 | 176.8 | 177.7 | 0 | 110.9 | ||||
| 1672 | H | 29 | Very low | 28.1 | Very low | 170 Ų | 170 | 140.2 Ų | 140.2 | 79% | 0.787 | 74% | 0.74 | S | S | * | * | -167.9 | 125.8 | 120.5 | -90.4 | -69.9 | 0 | 0 | 0 | 106.1 | |||||
| 1673 | E | 26.2 | Very low | 28.1 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 58% | 0.584 | 75% | 0.752 | S | S | * | * | 89.5 | 148.8 | 61.5 | -84 | -179.5 | -173.8 | 0 | 0 | 113.6 | |||||
| 1674 | M | 28.6 | Very low | 28.3 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 74% | 0.739 | 75% | 0.746 | S | S | * | * | cis | -145 | -178.3 | 17.2 | -124.8 | -68.9 | 170.1 | 0 | 0 | 112.7 | ||||
| 1675 | L | 22.9 | Very low | 28.4 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -103.8 | -144.9 | -178.6 | -72.3 | 98.4 | 0 | 0 | 0 | 113.5 | ||||
| 1676 | P | 37.5 | Very low | 28.2 | Very low | 101 Ų | 101 | 146.2 Ų | 146.2 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | -129.4 | 172 | -94 | 40.8 | -25.7 | 0 | 0 | 0 | 117.5 | |||||
| 1677 | S | 24.7 | Very low | 28.2 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | 25.3 | 118.6 | 149.4 | 64.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1678 | V | 29.1 | Very low | 27.9 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 90% | 0.903 | 74% | 0.741 | S | S | * | * | trans | -135.4 | 154.6 | 156.1 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1679 | I | 25.3 | Very low | 27.8 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 81% | 0.805 | 75% | 0.747 | S | S | * | * | trans | -82.9 | 134.8 | -167.5 | -62 | 155.5 | 0 | 0 | 0 | 113.7 | ||||
| 1680 | K | 28 | Very low | 27.5 | Very low | 196 Ų | 196 | 146.6 Ų | 146.6 | 85% | 0.852 | 75% | 0.75 | S | S | * | * | trans | 173.2 | 147.5 | 142 | -97.3 | 164.7 | -177.1 | 177.7 | 0 | 108.5 | ||||
| 1681 | S | 24 | Very low | 27.4 | Very low | 87 Ų | 87 | 148 Ų | 148 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | cis | 163.2 | 136.2 | -23.6 | 50.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1682 | H | 27.6 | Very low | 27.3 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | 78.3 | 123.5 | 163.2 | -73 | -56.7 | 0 | 0 | 0 | 122.9 | ||||
| 1683 | R | 27.3 | Very low | 27.1 | Very low | 219 Ų | 219 | 142.9 Ų | 142.9 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | 75.8 | 134.7 | 144.3 | -64.3 | 168.2 | -169.1 | -161.8 | 2.2 | 116 | ||||
| 1684 | L | 30.6 | Very low | 27 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | cis | -123.5 | 132.2 | 6.7 | -64.9 | 166.3 | 0 | 0 | 0 | 110.5 | ||||
| 1685 | L | 28.9 | Very low | 26.8 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | 59.6 | 114.6 | 111.7 | -55.5 | 175.9 | 0 | 0 | 0 | 114.6 | |||||
| 1686 | R | 23.7 | Very low | 26.9 | Very low | 205 Ų | 205 | 142.2 Ų | 142.2 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | 61.4 | 145.4 | 60.4 | -60.2 | -164.7 | -179.1 | -175.2 | -2.3 | 112.8 | |||||
| 1687 | H | 28.4 | Very low | 26.3 | Very low | 146 Ų | 146 | 142.3 Ų | 142.3 | 68% | 0.676 | 75% | 0.752 | S | S | * | * | cis | -148.7 | 153.3 | 30.4 | -110 | -84.5 | 0 | 0 | 0 | 113 | ||||
| 1688 | S | 25.1 | Very low | 26.4 | Very low | 97 Ų | 97 | 147.6 Ų | 147.6 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | -96.3 | 151.6 | 157.7 | -30.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1689 | P | 30.7 | Very low | 26.1 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -90.4 | 137.4 | 137.8 | 34 | -26.7 | 0 | 0 | 0 | 108.9 | ||||
| 1690 | S | 25.4 | Very low | 26 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | cis | 76.8 | 93.6 | 38.2 | -54.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 1691 | F | 26.2 | Very low | 25.8 | Very low | 221 Ų | 221 | 144.6 Ų | 144.6 | 97% | 0.969 | 74% | 0.737 | S | S | * | * | -135.6 | 146.2 | 125.8 | -114.3 | -79.3 | 0 | 0 | 0 | 109.4 | |||||
| 1692 | S | 24 | Very low | 25.8 | Very low | 94 Ų | 94 | 146.1 Ų | 146.1 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | trans | -157.2 | 132.5 | -167.4 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1693 | V | 24.7 | Very low | 25.7 | Very low | 131 Ų | 131 | 146 Ų | 146 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | 71.9 | 106.7 | 137.7 | 175.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1694 | V | 23.8 | Very low | 25.7 | Very low | 111 Ų | 111 | 140 Ų | 140 | 67% | 0.673 | 73% | 0.729 | S | S | * | * | trans | 76.1 | 106.2 | 141.6 | 177.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1695 | N | 25.2 | Very low | 25.5 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | -124.4 | 160.3 | 91.9 | -101.1 | 14 | 0 | 0 | 0 | 107.6 | |||||
| 1696 | E | 25 | Very low | 25.3 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | cis | -143.6 | 164.8 | 10.2 | -144.6 | 149 | -109.3 | 0 | 0 | 111.2 | ||||
| 1697 | V | 24.4 | Very low | 25.4 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 62% | 0.624 | 74% | 0.739 | S | S | * | * | trans | -119.3 | 137.4 | 178.1 | 168.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1698 | Y | 27.6 | Very low | 25.1 | Very low | 224 Ų | 224 | 144.5 Ų | 144.5 | 88% | 0.878 | 75% | 0.745 | S | S | * | * | -179.1 | 134.6 | 123.8 | -98.4 | -65.2 | 0 | 0 | 0 | 112.7 | |||||
| 1699 | T | 22.4 | Very low | 25 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 66% | 0.663 | 75% | 0.75 | S | S | * | * | trans | -114.9 | 141.3 | 171.7 | 51.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1700 | N | 23.5 | Very low | 24.8 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 68% | 0.684 | 76% | 0.757 | S | S | * | * | 161.8 | 134.2 | 122.7 | -88.2 | -16.5 | 0 | 0 | 0 | 115.3 | |||||
| 1701 | Y | 24.1 | Very low | 24.6 | Very low | 202 Ų | 202 | 153 Ų | 153 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | 58.9 | 152.8 | 152.7 | -64.6 | -62.1 | 0 | 0 | 0 | 118.4 | ||||
| 1702 | N | 24.1 | Very low | 24.4 | Very low | 119 Ų | 119 | 149.1 Ų | 149.1 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | cis | -155.3 | 152.3 | 13.8 | -141.5 | -8.2 | 0 | 0 | 0 | 113.1 | ||||
| 1703 | H | 25.6 | Very low | 24.4 | Very low | 160 Ų | 160 | 150.2 Ų | 150.2 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | trans | 53.6 | 145.2 | 167.1 | -71.8 | -69.3 | 0 | 0 | 0 | 119.3 | ||||
| 1704 | S | 26.6 | Very low | 24.4 | Very low | 94 Ų | 94 | 154.4 Ų | 154.4 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | cis | -165.5 | 173.2 | -10.1 | 57.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1705 | Q | 25.6 | Very low | 24.3 | Very low | 175 Ų | 175 | 155 Ų | 155 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | cis | -106.8 | 178 | 7.8 | -77.3 | 179.7 | -59.8 | 0 | 0 | 110.3 | ||||
| 1706 | Y | 26.2 | Very low | 24.3 | Very low | 200 Ų | 200 | 154.8 Ų | 154.8 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | cis | 66.4 | 125.5 | 39.5 | -73.3 | -86.8 | 0 | 0 | 0 | 113.3 | ||||
| 1707 | E | 25.1 | Very low | 24.3 | Very low | 176 Ų | 176 | 152.8 Ų | 152.8 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | cis | -132.4 | 166.6 | 10.2 | -100.8 | -172.3 | 143.5 | 0 | 0 | 114.6 | ||||
| 1708 | Q | 21.9 | Very low | 24.4 | Very low | 171 Ų | 171 | 156.6 Ų | 156.6 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | -89.5 | 167.8 | 160.9 | -72.9 | -176.3 | -21.3 | 0 | 0 | 110.9 | ||||
| 1709 | N | 23.2 | Very low | 24.2 | Very low | 146 Ų | 146 | 149.8 Ų | 149.8 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | trans | 87.6 | 98 | 176.7 | -51.1 | -66 | 0 | 0 | 0 | 116.6 | ||||
| 1710 | Y | 26.7 | Very low | 24.4 | Very low | 235 Ų | 235 | 154.4 Ų | 154.4 | 92% | 0.922 | 76% | 0.757 | S | S | * | * | -153.5 | 140.4 | 122.4 | -118.4 | -79.4 | 0 | 0 | 0 | 110 | |||||
| 1711 | V | 21.7 | Very low | 24.7 | Very low | 116 Ų | 116 | 153.8 Ų | 153.8 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | trans | -122 | 137 | -177.7 | 170.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1712 | N | 21.7 | Very low | 25 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | 59.6 | 132.1 | 176.4 | -66 | -36 | 0 | 0 | 0 | 115.1 | ||||
| 1713 | T | 23.8 | Very low | 25.4 | Very low | 117 Ų | 117 | 152.1 Ų | 152.1 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | -174.7 | 153.9 | 75.1 | 25.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1714 | R | 24.8 | Very low | 25.4 | Very low | 219 Ų | 219 | 148.7 Ų | 148.7 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | 57.6 | 84.6 | 142 | -65.7 | 168.9 | 178.1 | 171.5 | -2.4 | 119 | N1716 | R1714-N1716 VanDerWaalsContact C-N 3.34Å; R1714-N1716 PolarHBondContact O-N 2.86Å | ||
| 1715 | S | 21.4 | Very low | 25.3 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | -82.2 | 77.4 | 134.5 | 58.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1716 | N | 24.5 | Very low | 25.4 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | trans | -166.1 | 111.6 | 167.8 | -129.2 | -11.8 | 0 | 0 | 0 | 114.8 | R1714 | R1714-N1716 VanDerWaalsContact C-N 3.34Å; R1714-N1716 PolarHBondContact O-N 2.86Å | ||
| 1717 | L | 24.6 | Very low | 25.4 | Very low | 125 Ų | 125 | 142 Ų | 142 | 65% | 0.654 | 77% | 0.773 | S | S | * | * | 142.3 | 142.3 | 119.4 | -78.9 | 167.8 | 0 | 0 | 0 | 115.8 | |||||
| 1718 | F | 26.6 | Very low | 25.4 | Very low | 183 Ų | 183 | 140.2 Ų | 140.2 | 80% | 0.803 | 77% | 0.774 | S | S | * | * | trans | 68.3 | 144.5 | 160.1 | -55.6 | -48.1 | 0 | 0 | 0 | 119 | ||||
| 1719 | S | 23.5 | Very low | 25.6 | Very low | 81 Ų | 81 | 137 Ų | 137 | 57% | 0.566 | 77% | 0.77 | S | S | * | * | cis | -166 | 166.3 | -14.7 | 46.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1720 | F | 27.8 | Very low | 25.6 | Very low | 204 Ų | 204 | 141.3 Ų | 141.3 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | trans | 70.8 | 142.4 | 175.6 | -57.1 | -81.4 | 0 | 0 | 0 | 116.8 | ||||
| 1721 | S | 29.5 | Very low | 25.5 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | cis | -124.8 | 154.4 | 5.8 | 51.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1722 | Q | 30 | Very low | 25.9 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | trans | -87.5 | -175.3 | 171.5 | -92.3 | -178.5 | -11.5 | 0 | 0 | 110.9 | ||||
| 1723 | P | 31.8 | Very low | 25.9 | Very low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | cis | -123.1 | -179.1 | 2.2 | 9.4 | 18.3 | 0 | 0 | 0 | 113.2 | ||||
| 1724 | A | 26.2 | Very low | 26.1 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | cis | -168.4 | 171.1 | -6.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1725 | S | 25.3 | Very low | 26 | Very low | 92 Ų | 92 | 132.9 Ų | 132.9 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | cis | -170.3 | 112.7 | -32.2 | -85.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1726 | P | 27.8 | Very low | 26.3 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -85 | 147.2 | 177.8 | 33.9 | -33.2 | 0 | 0 | 0 | 112 | ||||
| 1727 | A | 25.7 | Very low | 26.3 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -124.7 | 135.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1728 | V | 24.7 | Very low | 26.5 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | -133.5 | 138.1 | 175.2 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1729 | S | 25.5 | Very low | 26.3 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | -29.7 | 140.9 | -174.3 | 51.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1730 | R | 24.2 | Very low | 26.7 | Very low | 237 Ų | 237 | 138 Ų | 138 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | -171.7 | 167.9 | 119 | -100.2 | 168.3 | -162.8 | -148.2 | 4.4 | 111.4 | |||||
| 1731 | L | 25.3 | Very low | 26.4 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | 76.4 | 141 | -173.5 | -56.6 | 172.1 | 0 | 0 | 0 | 114.9 | ||||
| 1732 | V | 28.4 | Very low | 26.3 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | cis | -153 | 168.7 | -28.5 | 96.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1733 | S | 22 | Very low | 26.2 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -71.7 | 132.3 | -179.2 | 52.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1734 | T | 27.6 | Very low | 26 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -130.6 | 131.8 | 143.1 | 46 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1735 | S | 22.7 | Very low | 26.2 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -89 | 143.9 | 173.9 | 51.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1736 | D | 27.9 | Very low | 26.4 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | -148.2 | 167.9 | 136.1 | -133.3 | -34.5 | 0 | 0 | 0 | 112.5 | ||||
| 1737 | N | 24.6 | Very low | 26.5 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 69% | 0.69 | 80% | 0.795 | S | S | * | * | trans | -97.9 | 144.4 | -155.8 | -63.3 | -95.8 | 0 | 0 | 0 | 113.6 | ||||
| 1738 | L | 28.8 | Very low | 26.8 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | -158.2 | 135.4 | 134.1 | -111.2 | 166.9 | 0 | 0 | 0 | 110.8 | ||||
| 1739 | N | 23.9 | Very low | 27.1 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | -88.4 | 137.3 | -171.8 | -73 | -66.7 | 0 | 0 | 0 | 113 | ||||
| 1740 | T | 30.1 | Very low | 28 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 91% | 0.914 | 77% | 0.77 | S | S | * | * | trans | -151.3 | 158.7 | 130.3 | 20.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1741 | S | 22.9 | Very low | 28.7 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -128.3 | 170.2 | -151.6 | 59.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1742 | K | 26 | Very low | 29.6 | Very low | 186 Ų | 186 | 136.4 Ų | 136.4 | 81% | 0.809 | 76% | 0.755 | S | S | * | * | trans | 86.7 | 90.8 | 173.7 | -53.5 | 176.8 | -178.5 | 178.4 | 0 | 117 | ||||
| 1743 | N | 28 | Very low | 30.8 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 88% | 0.882 | 75% | 0.745 | S | S | * | * | -168 | 164.3 | 96.9 | -90 | -18.4 | 0 | 0 | 0 | 112 | |||||
| 1744 | Q | 27.5 | Very low | 32.3 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 87% | 0.869 | 71% | 0.714 | S | S | * | * | trans | -92.2 | 158.2 | -175.1 | -77.7 | 179.8 | -20.2 | 0 | 0 | 112.9 | ||||
| 1745 | P | 32 | Very low | 33.5 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | trans | -87 | 154.8 | -167.2 | 34.6 | -36.8 | 0 | 0 | 0 | 114.7 | ||||
| 1746 | I | 29.5 | Very low | 35.1 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 69% | 0.687 | 70% | 0.704 | S | S | * | * | trans | -104.7 | -15.5 | 177.4 | -70.4 | 175.7 | 0 | 0 | 0 | 112 | I1748 L1749 | I1746-I1748 PolarHBondContact O-N 3.36Å; I1746-L1749 PolarHBondContact O-N 3.3Å | ||
| 1747 | D | 28.4 | Very low | 36.7 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 66% | 0.663 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 1 | -157.9 | -53.4 | -69.5 | 0 | 0 | 0 | 116.9 | ||
| 1748 | I | 32.3 | Very low | 38.8 | Very low | 155 Ų | 155 | 121.9 Ų | 121.9 | 80% | 0.795 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -18.6 | -178.4 | -62.6 | 178.7 | 0 | 0 | 0 | 112.3 | I1746 | I1746-I1748 PolarHBondContact O-N 3.36Š|
| 1749 | L | 32.2 | Very low | 41 | Very low | 138 Ų | 138 | 119.4 Ų | 119.4 | 72% | 0.723 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -98 | 7.9 | -169.5 | -103.8 | 167.2 | 0 | 0 | 0 | 116.4 | I1746 | I1746-L1749 PolarHBondContact O-N 3.3Š|
| 1750 | I | 42.8 | Very low | 43.3 | Very low | 66 Ų | 66 | 115.9 Ų | 115.9 | 34% | 0.338 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -101 | -37.5 | -173 | -62.5 | 178.4 | 0 | 0 | 0 | 112.8 | N1752 | I1750-N1752 PolarHBondContact O-N 3.34Š|
| 1751 | N | 40.1 | Very low | 45.4 | Very low | 128 Ų | 128 | 109.5 Ų | 109.5 | 68% | 0.684 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -18.9 | -164 | -75.4 | -21.7 | 0 | 0 | 0 | 116.7 | ||
| 1752 | N | 44.1 | Very low | 48.1 | Very low | 142 Ų | 142 | 107.1 Ų | 107.1 | 76% | 0.759 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -6.6 | -174 | -75.6 | 2.3 | 0 | 0 | 0 | 115.3 | I1750 L1754 A1755 | I1750-N1752 PolarHBondContact O-N 3.34Å; N1752-L1754 PolarHBondContact O-N 3.45Å; N1752-A1755 PolarHBondContact O-N 2.83Å |
| 1753 | R | 52.7 | Low | 50.7 | Low | 147 Ų | 147 | 104.9 Ų | 104.9 | 56% | 0.555 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -29.3 | -162.2 | -68.1 | -172.1 | -179.6 | -153.8 | -1.1 | 116.1 | S1756 M1757 | R1753-S1756 PolarHBondContact O-N 3.31Å; R1753-S1756 PolarHBondContact O-OG 3.03Å; R1753-S1756 VanDerWaalsContact O-OG 3.07Å; R1753-M1757 WeakPolarHBondContact O-CG 3.22Å |
| 1754 | L | 53.6 | Low | 53.3 | Low | 19 Ų | 19 | 98 Ų | 98 | 10% | 0.099 | 54% | 0.536 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -33.4 | -175.5 | -93.2 | 154.2 | 0 | 0 | 0 | 113.8 | F1608 K1611 N1752 S1756 M1757 Q1762 | F1608-L1754 HydrophobicContact CD1-CD1 4.09Å; F1608-L1754 HydrophobicContact CD1-CD2 4.02Å; F1608-L1754 HydrophobicContact CE1-CD1 4.06Å; F1608-L1754 HydrophobicContact CE1-CD2 3.98Å; K1611-L1754 HydrophobicContact CD-CD1 3.6Å; N1752-L1754 PolarHBondContact O-N 3.45Å; L1754-S1756 VanDerWaalsContact C-N 3.29Å; L1754-M1757 HydrophobicContact CD2-SD 3.73Å; L1754-M1757 HydrophobicContact CG-SD 4.25Å; L1754-Q1762 PolarHBondContact O-NE2 2.75Å; L1754-Q1762 VanDerWaalsContact O-NE2 3.14Å |
| 1755 | A | 52.8 | Low | 56 | Low | 92 Ų | 92 | 89.1 Ų | 89.1 | 76% | 0.76 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -17.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1752 | N1752-A1755 PolarHBondContact O-N 2.83Š|
| 1756 | S | 56.2 | Low | 58.6 | Low | 94 Ų | 94 | 88.1 Ų | 88.1 | 66% | 0.657 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 18 | 179.6 | 67.1 | 0 | 0 | 0 | 0 | 113.7 | R1753 L1754 | R1753-S1756 PolarHBondContact O-N 3.31Å; R1753-S1756 PolarHBondContact O-OG 3.03Å; R1753-S1756 VanDerWaalsContact O-OG 3.07Å; L1754-S1756 VanDerWaalsContact C-N 3.29Å |
| 1757 | M | 62.8 | Low | 61.3 | Low | 37 Ų | 37 | 85 Ų | 85 | 18% | 0.182 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -82.3 | 161.4 | 176.9 | -57.8 | -167.4 | 76.9 | 0 | 0 | 111.5 | R1753 L1754 A1761 Q1762 I1810 | R1753-M1757 WeakPolarHBondContact O-CG 3.22Å; L1754-M1757 HydrophobicContact CD2-SD 3.73Å; L1754-M1757 HydrophobicContact CG-SD 4.25Å; M1757-A1761 HydrophobicContact CB-CB 4.27Å; M1757-A1761 HydrophobicContact CE-CB 3.61Å; M1757-A1761 HydrophobicContact SD-CB 4.45Å; M1757-Q1762 HydrophobicContact CB-CG 4.25Å; M1757-I1810 HydrophobicContact CE-CD1 3.55Å; M1757-I1810 HydrophobicContact CE-CG2 4.13Å; M1757-I1810 HydrophobicContact SD-CG2 4.18Å |
| 1758 | S | 69.2 | Low | 64.2 | Low | 68 Ų | 68 | 79.2 Ų | 79.2 | 48% | 0.476 | 43% | 0.434 | S | S | . | . | trans | -64.4 | 149 | 168 | 58.1 | 0 | 0 | 0 | 0 | 111.1 | S1760 A1761 Q1762 | S1758-S1760 PolarHBondContact O-N 3.3Å; S1758-S1760 VanDerWaalsContact O-N 3.09Å; S1758-S1760 PolarHBondContact OG-OG 3.23Å; S1758-A1761 PolarHBondContact O-N 2.88Å; S1758-Q1762 PolarHBondContact O-N 2.85Å | ||
| 1759 | N | 73.5 | Confident | 66.9 | Low | 125 Ų | 125 | 71.9 Ų | 71.9 | 67% | 0.668 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -52.4 | -34.7 | 177 | -66 | 5.7 | 0 | 0 | 0 | 112.5 | Q1762 Q1763 | N1759-Q1762 PolarHBondContact O-N 3.24Å; N1759-Q1763 WeakPolarHBondContact O-CG 3.48Å; N1759-Q1763 PolarHBondContact O-N 3.33Å |
| 1760 | S | 73.5 | Confident | 69.5 | Low | 70 Ų | 70 | 70.9 Ų | 70.9 | 49% | 0.49 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 175.5 | 51.3 | 0 | 0 | 0 | 0 | 113 | S1758 Q1763 S1764 | S1758-S1760 PolarHBondContact O-N 3.3Å; S1758-S1760 VanDerWaalsContact O-N 3.09Å; S1758-S1760 PolarHBondContact OG-OG 3.23Å; S1760-Q1763 PolarHBondContact O-N 3.03Å; S1760-S1764 PolarHBondContact O-N 3.43Å; S1760-S1764 PolarHBondContact O-OG 3.1Å |
| 1761 | A | 73.2 | Confident | 71.7 | Confident | 15 Ų | 15 | 70.2 Ų | 70.2 | 12% | 0.124 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72.4 | -30.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1757 S1758 A1765 | M1757-A1761 HydrophobicContact CB-CB 4.27Å; M1757-A1761 HydrophobicContact CE-CB 3.61Å; M1757-A1761 HydrophobicContact SD-CB 4.45Å; S1758-A1761 PolarHBondContact O-N 2.88Å; A1761-A1765 VanDerWaalsContact O-CB 3.24Å; A1761-A1765 WeakPolarHBondContact O-CB 3.29Å; A1761-A1765 PolarHBondContact O-N 3.01Å |
| 1762 | Q | 78.7 | Confident | 74 | Confident | 56 Ų | 56 | 64.3 Ų | 64.3 | 26% | 0.262 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 170.5 | -67.3 | -175.6 | -16.2 | 0 | 0 | 111.7 | L1612 L1754 M1757 S1758 N1759 A1765 L1766 | L1612-Q1762 HydrophobicContact CD2-CB 4.07Å; L1612-Q1762 HydrophobicContact CD2-CG 4.04Å; L1754-Q1762 PolarHBondContact O-NE2 2.75Å; L1754-Q1762 VanDerWaalsContact O-NE2 3.14Å; M1757-Q1762 HydrophobicContact CB-CG 4.25Å; S1758-Q1762 PolarHBondContact O-N 2.85Å; N1759-Q1762 PolarHBondContact O-N 3.24Å; Q1762-A1765 PolarHBondContact O-N 3.04Å; Q1762-L1766 PolarHBondContact O-N 3.32Å |
| 1763 | Q | 81.2 | Confident | 76.1 | Confident | 138 Ų | 138 | 61.2 Ų | 61.2 | 65% | 0.645 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.7 | -49.6 | 173.8 | -77.2 | 179.5 | -35.2 | 0 | 0 | 112 | N1759 S1760 A1765 L1766 Q1767 | N1759-Q1763 WeakPolarHBondContact O-CG 3.48Å; N1759-Q1763 PolarHBondContact O-N 3.33Å; S1760-Q1763 PolarHBondContact O-N 3.03Å; Q1763-A1765 VanDerWaalsContact C-N 3.3Å; Q1763-A1765 PolarHBondContact O-N 2.98Å; Q1763-L1766 WeakPolarHBondContact O-CB 3.32Å; Q1763-L1766 PolarHBondContact O-N 3.48Å; Q1763-L1766 VanDerWaalsContact O-N 3.11Å; Q1763-Q1767 PolarHBondContact O-N 3.12Å |
| 1764 | S | 83.2 | Confident | 77.7 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 14% | 0.14 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.9 | -29.2 | 179 | -63.2 | 0 | 0 | 0 | 0 | 112.9 | S1760 Q1767 F1768 W1804 | S1760-S1764 PolarHBondContact O-N 3.43Å; S1760-S1764 PolarHBondContact O-OG 3.1Å; S1764-Q1767 PolarHBondContact O-N 2.89Å; S1764-F1768 WeakPolarHBondContact O-CB 3.38Å; S1764-F1768 PolarHBondContact O-N 3.26Å; S1764-W1804 PolarHBondContact O-NE1 3.08Å |
| 1765 | A | 84.3 | Confident | 79.2 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.008 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1608 L1612 A1761 Q1762 Q1763 T1769 I1807 | F1608-A1765 HydrophobicContact CD2-CB 3.99Å; F1608-A1765 HydrophobicContact CE2-CB 4.22Å; F1608-A1765 HydrophobicContact CG-CB 4.34Å; L1612-A1765 HydrophobicContact CD1-CB 4.01Å; A1761-A1765 VanDerWaalsContact O-CB 3.24Å; A1761-A1765 WeakPolarHBondContact O-CB 3.29Å; A1761-A1765 PolarHBondContact O-N 3.01Å; Q1762-A1765 PolarHBondContact O-N 3.04Å; Q1763-A1765 VanDerWaalsContact C-N 3.3Å; Q1763-A1765 PolarHBondContact O-N 2.98Å; A1765-T1769 WeakPolarHBondContact O-CB 3.47Å; A1765-T1769 PolarHBondContact O-N 3.09Å; A1765-T1769 VanDerWaalsContact O-N 3.12Å; A1765-T1769 PolarHBondContact O-OG1 3.39Å; A1765-I1807 HydrophobicContact CB-CG2 3.85Å |
| 1766 | L | 85.5 | Confident | 80.8 | Confident | 82 Ų | 82 | 54.1 Ų | 54.1 | 43% | 0.429 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 171.9 | -163.4 | 81 | 0 | 0 | 0 | 110.9 | L1612 Q1762 Q1763 T1769 M1770 | L1612-L1766 HydrophobicContact CD1-CD1 4.44Å; Q1762-L1766 PolarHBondContact O-N 3.32Å; Q1763-L1766 WeakPolarHBondContact O-CB 3.32Å; Q1763-L1766 PolarHBondContact O-N 3.48Å; Q1763-L1766 VanDerWaalsContact O-N 3.11Å; L1766-T1769 WeakPolarHBondContact O-CB 3.38Å; L1766-T1769 PolarHBondContact O-N 3.21Å; L1766-M1770 WeakPolarHBondContact O-CG 3.19Å; L1766-M1770 PolarHBondContact O-N 2.94Å |
| 1767 | Q | 86.7 | Confident | 82.1 | Confident | 68 Ų | 68 | 54.8 Ų | 54.8 | 32% | 0.318 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 179.5 | -162.8 | 179.9 | 0.5 | 0 | 0 | 111.9 | Q1763 S1764 T1769 M1770 Y1771 L1800 W1804 | Q1763-Q1767 PolarHBondContact O-N 3.12Å; S1764-Q1767 PolarHBondContact O-N 2.89Å; Q1767-T1769 VanDerWaalsContact C-N 3.29Å; Q1767-T1769 PolarHBondContact O-N 3.44Å; Q1767-M1770 PolarHBondContact O-N 2.76Å; Q1767-Y1771 HydrophobicContact CG-CD2 4.41Å; Q1767-Y1771 HydrophobicContact CG-CE2 4.19Å; Q1767-Y1771 VanDerWaalsContact O-CD2 3.31Å; Q1767-Y1771 WeakPolarHBondContact O-CD2 3.36Å; Q1767-Y1771 PolarHBondContact O-N 3.19Å; Q1767-L1800 HydrophobicContact CG-CD1 4.36Å; Q1767-L1800 VanDerWaalsContact NE2-CD1 3.27Å; Q1767-W1804 HydrophobicContact CB-CZ2 4.43Å; Q1767-W1804 HydrophobicContact CG-CZ2 4.18Å |
| 1768 | F | 90.2 | Very high | 82.8 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -52.8 | -48.3 | 170.2 | 169.7 | -92.7 | 0 | 0 | 0 | 111.4 | F1601 V1604 A1605 F1608 S1764 M1770 Y1771 V1772 F1791 W1804 L1808 | F1601-F1768 HydrophobicContact CB-CZ 4.06Å; F1601-F1768 HydrophobicContact CD1-CE2 4.36Å; F1601-F1768 HydrophobicContact CD1-CZ 4.06Å; F1601-F1768 HydrophobicContact CG-CE2 4.42Å; F1601-F1768 HydrophobicContact CG-CZ 4.08Å; V1604-F1768 HydrophobicContact CB-CE1 4.44Å; V1604-F1768 HydrophobicContact CG1-CE1 4.17Å; A1605-F1768 HydrophobicContact CB-CE1 4.08Å; F1608-F1768 HydrophobicContact CD2-CD1 4.16Å; F1608-F1768 HydrophobicContact CE2-CD1 4.26Å; S1764-F1768 WeakPolarHBondContact O-CB 3.38Å; S1764-F1768 PolarHBondContact O-N 3.26Å; F1768-M1770 VanDerWaalsContact C-N 3.35Å; F1768-M1770 PolarHBondContact O-N 2.92Å; F1768-Y1771 PolarHBondContact O-N 2.89Å; F1768-V1772 HydrophobicContact CD1-CG2 4.4Å; F1768-V1772 HydrophobicContact CE1-CG2 3.9Å; F1768-V1772 HydrophobicContact CE2-CG2 4.04Å; F1768-V1772 HydrophobicContact CZ-CG2 3.68Å; F1768-V1772 WeakPolarHBondContact O-CG2 3.37Å; F1768-V1772 PolarHBondContact O-N 3.45Å; F1768-F1791 HydrophobicContact CD2-CE2 4.19Å; F1768-F1791 AromaticContact CD2-CZ 3.71Å; F1768-F1791 HydrophobicContact CD2-CZ 3.71Å; F1768-F1791 HydrophobicContact CE2-CE1 4.4Å; F1768-F1791 HydrophobicContact CE2-CE2 4.08Å; F1768-F1791 AromaticContact CE2-CZ 3.52Å; F1768-F1791 HydrophobicContact CE2-CZ 3.52Å; F1768-W1804 HydrophobicContact CB-CD2 4.06Å; F1768-W1804 HydrophobicContact CB-CG 4.27Å; F1768-W1804 HydrophobicContact CB-CZ2 4.23Å; F1768-W1804 HydrophobicContact CD2-CB 4.49Å; F1768-W1804 AromaticContact CD2-CD2 3.97Å; F1768-W1804 HydrophobicContact CD2-CD2 3.97Å; F1768-W1804 AromaticContact CD2-CE3 3.94Å; F1768-W1804 HydrophobicContact CD2-CE3 3.94Å; F1768-W1804 HydrophobicContact CD2-CG 4.24Å; F1768-W1804 HydrophobicContact CD2-CZ3 4.48Å; F1768-L1808 HydrophobicContact CE1-CD2 4.17Å; F1768-L1808 HydrophobicContact CE2-CD1 4.39Å; F1768-L1808 HydrophobicContact CE2-CD2 3.88Å; F1768-L1808 HydrophobicContact CE2-CG 4.46Å; F1768-L1808 HydrophobicContact CZ-CD2 3.69Å |
| 1769 | T | 87.9 | Confident | 83.3 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -41.3 | -178.6 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | A1605 L1609 A1765 L1766 Q1767 Q1773 | A1605-T1769 HydrophobicContact CB-CG2 4.13Å; A1605-T1769 WeakPolarHBondContact O-CG2 3.38Å; L1609-T1769 HydrophobicContact CB-CG2 4.1Å; L1609-T1769 HydrophobicContact CD1-CG2 3.64Å; A1765-T1769 WeakPolarHBondContact O-CB 3.47Å; A1765-T1769 PolarHBondContact O-N 3.09Å; A1765-T1769 VanDerWaalsContact O-N 3.12Å; A1765-T1769 PolarHBondContact O-OG1 3.39Å; L1766-T1769 WeakPolarHBondContact O-CB 3.38Å; L1766-T1769 PolarHBondContact O-N 3.21Å; Q1767-T1769 VanDerWaalsContact C-N 3.29Å; Q1767-T1769 PolarHBondContact O-N 3.44Å; T1769-Q1773 WeakPolarHBondContact O-CG 3.43Å; T1769-Q1773 PolarHBondContact O-N 3.42Å |
| 1770 | M | 87.1 | Confident | 83.4 | Confident | 117 Ų | 117 | 54.7 Ų | 54.7 | 58% | 0.576 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64.2 | -41.2 | 174.7 | -71.6 | -178.2 | 70.2 | 0 | 0 | 112.6 | L1766 Q1767 F1768 Q1773 N1774 | L1766-M1770 WeakPolarHBondContact O-CG 3.19Å; L1766-M1770 PolarHBondContact O-N 2.94Å; Q1767-M1770 PolarHBondContact O-N 2.76Å; F1768-M1770 VanDerWaalsContact C-N 3.35Å; F1768-M1770 PolarHBondContact O-N 2.92Å; M1770-Q1773 PolarHBondContact O-N 2.74Å; M1770-N1774 VanDerWaalsContact O-CB 3.28Å; M1770-N1774 WeakPolarHBondContact O-CB 3.33Å; M1770-N1774 PolarHBondContact O-N 3.47Å |
| 1771 | Y | 89 | Confident | 83.7 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 21% | 0.208 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 178.4 | -87.3 | -119.3 | 0 | 0 | 0 | 112.1 | Q1767 F1768 N1774 I1775 H1794 D1798 L1800 W1804 | Q1767-Y1771 HydrophobicContact CG-CD2 4.41Å; Q1767-Y1771 HydrophobicContact CG-CE2 4.19Å; Q1767-Y1771 VanDerWaalsContact O-CD2 3.31Å; Q1767-Y1771 WeakPolarHBondContact O-CD2 3.36Å; Q1767-Y1771 PolarHBondContact O-N 3.19Å; F1768-Y1771 PolarHBondContact O-N 2.89Å; Y1771-N1774 PolarHBondContact O-N 2.95Å; Y1771-I1775 WeakPolarHBondContact O-CB 3.49Å; Y1771-I1775 WeakPolarHBondContact O-CG1 3.37Å; Y1771-I1775 PolarHBondContact O-N 3.12Å; Y1771-H1794 HydrophobicContact CD1-CB 4.18Å; Y1771-H1794 HydrophobicContact CE1-CB 4.09Å; Y1771-H1794 AromaticContact CE1-CE1 3.96Å; Y1771-D1798 WeakPolarHBondContact CE1-OD2 3.34Å; Y1771-D1798 PolarHBondContact OH-OD2 3.2Å; Y1771-D1798 VanDerWaalsContact OH-OD2 3.13Å; Y1771-L1800 HydrophobicContact CE1-CD1 4.41Å; Y1771-L1800 HydrophobicContact CE2-CD1 4.28Å; Y1771-W1804 AromaticContact CD1-CH2 3.8Å; Y1771-W1804 HydrophobicContact CD1-CH2 3.8Å; Y1771-W1804 HydrophobicContact CD2-CH2 4.01Å; Y1771-W1804 HydrophobicContact CD2-CZ2 4.36Å; Y1771-W1804 HydrophobicContact CE1-CH2 4.35Å; Y1771-W1804 AromaticContact CG-CH2 3.61Å; Y1771-W1804 HydrophobicContact CG-CH2 3.61Å; Y1771-W1804 HydrophobicContact CG-CZ2 4.38Å |
| 1772 | V | 88.7 | Confident | 84 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 174.5 | 174.7 | 0 | 0 | 0 | 0 | 111 | W1598 F1601 E1602 A1605 F1768 T1776 F1791 | W1598-V1772 HydrophobicContact CH2-CG1 4.31Å; W1598-V1772 HydrophobicContact CZ2-CG1 4Å; F1601-V1772 HydrophobicContact CB-CG2 4.18Å; E1602-V1772 HydrophobicContact CG-CG1 4Å; A1605-V1772 HydrophobicContact CB-CB 4.03Å; A1605-V1772 HydrophobicContact CB-CG1 3.91Å; A1605-V1772 HydrophobicContact CB-CG2 4.37Å; F1768-V1772 HydrophobicContact CD1-CG2 4.4Å; F1768-V1772 HydrophobicContact CE1-CG2 3.9Å; F1768-V1772 HydrophobicContact CE2-CG2 4.04Å; F1768-V1772 HydrophobicContact CZ-CG2 3.68Å; F1768-V1772 WeakPolarHBondContact O-CG2 3.37Å; F1768-V1772 PolarHBondContact O-N 3.45Å; V1772-T1776 WeakPolarHBondContact O-CB 3.48Å; V1772-T1776 PolarHBondContact O-N 3.37Å; V1772-F1791 HydrophobicContact CG2-CD2 4.25Å; V1772-F1791 HydrophobicContact CG2-CE2 3.82Å |
| 1773 | Q | 88.1 | Confident | 84.1 | Confident | 77 Ų | 77 | 51.5 Ų | 51.5 | 36% | 0.36 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 177.2 | -74.8 | -177 | -17.3 | 0 | 0 | 112.5 | T1769 M1770 I1775 T1776 N1777 | T1769-Q1773 WeakPolarHBondContact O-CG 3.43Å; T1769-Q1773 PolarHBondContact O-N 3.42Å; M1770-Q1773 PolarHBondContact O-N 2.74Å; Q1773-I1775 VanDerWaalsContact C-N 3.34Å; Q1773-I1775 PolarHBondContact O-N 3.42Å; Q1773-T1776 PolarHBondContact O-N 3.11Å; Q1773-N1777 WeakPolarHBondContact O-CB 3.47Å; Q1773-N1777 PolarHBondContact O-N 2.9Å; Q1773-N1777 PolarHBondContact O-ND2 3.12Å |
| 1774 | N | 86.6 | Confident | 84.3 | Confident | 65 Ų | 65 | 47.2 Ų | 47.2 | 35% | 0.348 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.8 | -42.2 | -179.2 | -161.3 | 25 | 0 | 0 | 0 | 111.3 | M1770 Y1771 N1777 N1778 I1856 | M1770-N1774 VanDerWaalsContact O-CB 3.28Å; M1770-N1774 WeakPolarHBondContact O-CB 3.33Å; M1770-N1774 PolarHBondContact O-N 3.47Å; Y1771-N1774 PolarHBondContact O-N 2.95Å; N1774-N1777 PolarHBondContact O-N 3.42Å; N1774-N1778 WeakPolarHBondContact O-CB 3.38Å; N1774-N1778 PolarHBondContact O-N 2.95Å; N1774-N1778 PolarHBondContact O-OD1 3.28Å; N1774-N1778 PolarHBondContact OD1-ND2 3.44Å; N1774-I1856 WeakPolarHBondContact ND2-CD1 3.44Å |
| 1775 | I | 85.6 | Confident | 84.4 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.046 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.5 | -38.7 | 177.9 | -70.4 | 173.9 | 0 | 0 | 0 | 111.9 | W1598 Y1771 Q1773 N1777 S1779 K1787 R1790 F1791 | W1598-I1775 HydrophobicContact CH2-CB 3.99Å; W1598-I1775 HydrophobicContact CH2-CG2 3.65Å; W1598-I1775 HydrophobicContact CZ2-CB 4.31Å; W1598-I1775 HydrophobicContact CZ2-CG2 3.95Å; W1598-I1775 HydrophobicContact CZ3-CG2 4.46Å; Y1771-I1775 WeakPolarHBondContact O-CB 3.49Å; Y1771-I1775 WeakPolarHBondContact O-CG1 3.37Å; Y1771-I1775 PolarHBondContact O-N 3.12Å; Q1773-I1775 VanDerWaalsContact C-N 3.34Å; Q1773-I1775 PolarHBondContact O-N 3.42Å; I1775-N1777 VanDerWaalsContact C-N 3.31Å; I1775-N1777 PolarHBondContact O-N 3.18Å; I1775-S1779 WeakPolarHBondContact O-CA 3.49Å; I1775-S1779 WeakPolarHBondContact O-CB 3.46Å; I1775-S1779 PolarHBondContact O-N 3.34Å; I1775-S1779 PolarHBondContact O-OG 3.21Å; I1775-K1787 HydrophobicContact CG2-CB 4.12Å; I1775-K1787 HydrophobicContact CG2-CG 4.31Å; I1775-R1790 HydrophobicContact CD1-CG 4.17Å; I1775-R1790 HydrophobicContact CG1-CG 4.41Å; I1775-F1791 HydrophobicContact CD1-CB 3.69Å; I1775-F1791 HydrophobicContact CD1-CD2 4.13Å; I1775-F1791 HydrophobicContact CD1-CG 4.38Å |
| 1776 | T | 86.4 | Confident | 84.3 | Confident | 36 Ų | 36 | 48.7 Ų | 48.7 | 22% | 0.221 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.1 | -36.1 | 174.3 | -83.9 | 0 | 0 | 0 | 0 | 112.4 | W1598 E1602 V1772 Q1773 | W1598-T1776 WeakPolarHBondContact CZ2-OG1 3.35Å; W1598-T1776 PolarHBondContact NE1-OG1 3.37Å; E1602-T1776 PolarHBondContact OE1-OG1 2.87Å; V1772-T1776 WeakPolarHBondContact O-CB 3.48Å; V1772-T1776 PolarHBondContact O-N 3.37Å; Q1773-T1776 PolarHBondContact O-N 3.11Å |
| 1777 | N | 83.1 | Confident | 84.4 | Confident | 107 Ų | 107 | 46 Ų | 46 | 57% | 0.572 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -74.6 | -41.7 | 177.3 | -68.2 | -12.9 | 0 | 0 | 0 | 113.1 | Q1773 N1774 I1775 I1780 | Q1773-N1777 WeakPolarHBondContact O-CB 3.47Å; Q1773-N1777 PolarHBondContact O-N 2.9Å; Q1773-N1777 PolarHBondContact O-ND2 3.12Å; N1774-N1777 PolarHBondContact O-N 3.42Å; I1775-N1777 VanDerWaalsContact C-N 3.31Å; I1775-N1777 PolarHBondContact O-N 3.18Å; N1777-I1780 WeakPolarHBondContact O-CD1 3.44Å; N1777-I1780 WeakPolarHBondContact O-CG1 3.35Å |
| 1778 | N | 77.8 | Confident | 84.5 | Confident | 92 Ų | 92 | 42.9 Ų | 42.9 | 49% | 0.492 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -92 | -4.1 | -173.1 | -57.7 | -2 | 0 | 0 | 0 | 113.3 | N1774 | N1774-N1778 WeakPolarHBondContact O-CB 3.38Å; N1774-N1778 PolarHBondContact O-N 2.95Å; N1774-N1778 PolarHBondContact O-OD1 3.28Å; N1774-N1778 PolarHBondContact OD1-ND2 3.44Å |
| 1779 | S | 79.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -129.3 | 38.7 | -175 | -35.5 | 0 | 0 | 0 | 0 | 111.7 | I1775 T1781 F1782 K1787 R1790 | I1775-S1779 WeakPolarHBondContact O-CA 3.49Å; I1775-S1779 WeakPolarHBondContact O-CB 3.46Å; I1775-S1779 PolarHBondContact O-N 3.34Å; I1775-S1779 PolarHBondContact O-OG 3.21Å; S1779-T1781 PolarHBondContact O-N 3.25Å; S1779-F1782 PolarHBondContact O-N 3.36Å; S1779-K1787 WeakPolarHBondContact O-CE 3.45Å; S1779-R1790 PolarHBondContact OG-NH1 2.99Å | ||
| 1780 | I | 75.9 | Confident | 84.3 | Confident | 136 Ų | 136 | 45.9 Ų | 45.9 | 70% | 0.697 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -38.1 | -175.1 | -60.5 | 169 | 0 | 0 | 0 | 112 | N1777 | N1777-I1780 WeakPolarHBondContact O-CD1 3.44Å; N1777-I1780 WeakPolarHBondContact O-CG1 3.35Å |
| 1781 | T | 79.3 | Confident | 84.4 | Confident | 62 Ų | 62 | 40.4 Ų | 40.4 | 38% | 0.38 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -18.5 | 179.3 | 29.1 | 0 | 0 | 0 | 0 | 114.3 | L1474 E1475 S1779 | L1474-T1781 WeakPolarHBondContact CA-O 3.42Å; L1474-T1781 HydrophobicContact CB-CG2 4.16Å; L1474-T1781 HydrophobicContact CD1-CG2 4.32Å; L1474-T1781 PolarHBondContact N-O 2.87Å; E1475-T1781 PolarHBondContact N-O 3.26Å; E1475-T1781 WeakPolarHBondContact OE1-CB 3.48Å; E1475-T1781 PolarHBondContact OE1-OG1 3.37Å; S1779-T1781 PolarHBondContact O-N 3.25Å |
| 1782 | F | 78.9 | Confident | 84.4 | Confident | 11 Ų | 11 | 37.9 Ų | 37.9 | 5% | 0.048 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -76.6 | 134.1 | 171.4 | -80.9 | -89.9 | 0 | 0 | 0 | 110.6 | E1475 I1477 S1779 K1787 | E1475-F1782 HydrophobicContact CG-CD1 4.09Å; E1475-F1782 HydrophobicContact CG-CD2 3.73Å; E1475-F1782 HydrophobicContact CG-CE1 4.06Å; E1475-F1782 HydrophobicContact CG-CE2 3.68Å; E1475-F1782 HydrophobicContact CG-CG 3.94Å; E1475-F1782 HydrophobicContact CG-CZ 3.85Å; E1475-F1782 WeakPolarHBondContact OE1-CD2 3.44Å; E1475-F1782 WeakPolarHBondContact OE1-CE2 3.48Å; I1477-F1782 HydrophobicContact CD1-CE1 3.69Å; I1477-F1782 HydrophobicContact CD1-CZ 3.68Å; I1477-F1782 HydrophobicContact CG1-CE1 3.86Å; I1477-F1782 HydrophobicContact CG1-CZ 3.91Å; S1779-F1782 PolarHBondContact O-N 3.36Å; F1782-K1787 HydrophobicContact CB-CG 4.18Å; F1782-K1787 WeakPolarHBondContact O-CE 3.38Å |
| 1783 | G | 81.2 | Confident | 84.2 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | trans | -66.1 | 168.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1471 A1473 E1785 G1786 K1787 | D1471-G1783 CarbonylContact O-C 3.59Å; D1471-G1783 WeakPolarHBondContact O-CA 3.49Å; D1471-G1783 WeakPolarHBondContact OD2-CA 3.42Å; A1473-G1783 VanDerWaalsContact CA-CA 3.49Å; G1783-E1785 PolarHBondContact O-N 3.46Å; G1783-E1785 VanDerWaalsContact O-N 3.13Å; G1783-G1786 WeakPolarHBondContact O-CA 3.37Å; G1783-G1786 PolarHBondContact O-N 2.76Å; G1783-K1787 PolarHBondContact O-N 3.48Å | ||
| 1784 | K | 86.1 | Confident | 84 | Confident | 47 Ų | 47 | 34.7 Ų | 34.7 | 20% | 0.204 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.3 | -32.5 | -175.8 | -64 | -177.6 | -171 | -175.4 | 0 | 113.5 | D1471 Y1596 W1598 D1599 F1788 | D1471-K1784 HydrophobicContact CB-CB 4.18Å; D1471-K1784 PolarHBondContact O-N 3.15Å; Y1596-K1784 HydrophobicContact CD1-CB 4.34Å; Y1596-K1784 HydrophobicContact CD2-CB 4.48Å; Y1596-K1784 HydrophobicContact CD2-CD 3.88Å; Y1596-K1784 HydrophobicContact CG-CB 4.01Å; Y1596-K1784 HydrophobicContact CG-CD 4.1Å; W1598-K1784 HydrophobicContact CB-CB 3.87Å; W1598-K1784 HydrophobicContact CB-CG 4.34Å; W1598-K1784 HydrophobicContact CG-CB 4.5Å; D1599-K1784 IonicContact OD1-NZ 3.24Å; D1599-K1784 PolarHBondContact OD1-NZ 3.36Å; D1599-K1784 WeakPolarHBondContact OD2-CD 3.43Å; D1599-K1784 IonicContact OD2-NZ 3.19Å; D1599-K1784 PolarHBondContact OD2-NZ 3.44Å; K1784-F1788 PolarHBondContact O-N 2.85Å; K1784-F1788 VanDerWaalsContact O-N 3.09Å |
| 1785 | E | 84.2 | Confident | 84 | Confident | 43 Ų | 43 | 31.6 Ų | 31.6 | 20% | 0.201 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -72.2 | -41.1 | 176.7 | -160.1 | 63.3 | -144.6 | 0 | 0 | 111.3 | D1471 H1578 G1783 F1788 Q1789 | D1471-E1785 HydrophobicContact CB-CB 4.5Å; D1471-E1785 WeakPolarHBondContact OD2-CB 3.25Å; D1471-E1785 PolarHBondContact OD2-N 3.49Å; H1578-E1785 IonicContact CD2-OE1 3.9Å; H1578-E1785 IonicContact CE1-OE1 2.7Å; H1578-E1785 PolarHBondContact CE1-OE1 2.81Å; H1578-E1785 IonicContact CE1-OE2 2.67Å; H1578-E1785 PolarHBondContact CE1-OE2 2.79Å; H1578-E1785 IonicContact CG-OE1 2.92Å; H1578-E1785 IonicContact ND1-OE1 3.29Å; H1578-E1785 PolarHBondContact ND1-OE1 3.17Å; H1578-E1785 VanDerWaalsContact ND1-OE1 3.13Å; H1578-E1785 IonicContact NE2-OE1 3.03Å; H1578-E1785 PolarHBondContact NE2-OE1 2.86Å; H1578-E1785 IonicContact NE2-OE2 3.92Å; G1783-E1785 PolarHBondContact O-N 3.46Å; G1783-E1785 VanDerWaalsContact O-N 3.13Å; E1785-F1788 WeakPolarHBondContact O-CB 3.18Å; E1785-F1788 PolarHBondContact O-N 3.31Å; E1785-Q1789 PolarHBondContact O-N 2.95Å |
| 1786 | G | 82.2 | Confident | 83.9 | Confident | 9 Ų | 9 | 31.3 Ų | 31.3 | 9% | 0.093 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1783 Q1789 R1790 | G1783-G1786 WeakPolarHBondContact O-CA 3.37Å; G1783-G1786 PolarHBondContact O-N 2.76Å; G1786-Q1789 PolarHBondContact O-N 3.4Å; G1786-R1790 WeakPolarHBondContact O-CB 3.47Å; G1786-R1790 PolarHBondContact O-N 3.21Å |
| 1787 | K | 87.5 | Confident | 83.7 | Confident | 25 Ų | 25 | 32.9 Ų | 32.9 | 11% | 0.109 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 171.6 | -69.9 | -178.1 | 176.5 | -179.7 | 0 | 111.7 | W1598 I1775 S1779 F1782 G1783 R1790 F1791 | W1598-K1787 HydrophobicContact CD2-CB 3.62Å; W1598-K1787 HydrophobicContact CD2-CD 4.42Å; W1598-K1787 HydrophobicContact CE3-CB 3.85Å; W1598-K1787 HydrophobicContact CG-CB 4.15Å; W1598-K1787 HydrophobicContact CH2-CB 4.25Å; W1598-K1787 HydrophobicContact CZ2-CB 4.04Å; W1598-K1787 HydrophobicContact CZ2-CD 4.36Å; W1598-K1787 HydrophobicContact CZ3-CB 4.16Å; W1598-K1787 WeakPolarHBondContact CZ3-O 3.26Å; I1775-K1787 HydrophobicContact CG2-CB 4.12Å; I1775-K1787 HydrophobicContact CG2-CG 4.31Å; S1779-K1787 WeakPolarHBondContact O-CE 3.45Å; F1782-K1787 HydrophobicContact CB-CG 4.18Å; F1782-K1787 WeakPolarHBondContact O-CE 3.38Å; G1783-K1787 PolarHBondContact O-N 3.48Å; K1787-R1790 PolarHBondContact O-N 3.28Å; K1787-F1791 VanDerWaalsContact O-CB 3.3Å; K1787-F1791 WeakPolarHBondContact O-CB 3.41Å; K1787-F1791 PolarHBondContact O-N 2.9Å |
| 1788 | F | 89.4 | Confident | 83.8 | Confident | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.013 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.1 | -47.7 | 172.9 | 173.9 | -94.4 | 0 | 0 | 0 | 111.7 | H1578 F1581 V1597 W1598 F1601 K1784 E1785 R1790 F1791 I1792 | H1578-F1788 HydrophobicContact CB-CD1 4.46Å; H1578-F1788 HydrophobicContact CB-CE1 3.69Å; H1578-F1788 HydrophobicContact CB-CZ 4.26Å; H1578-F1788 AromaticContact CD2-CE1 3.95Å; F1581-F1788 HydrophobicContact CB-CE2 4.39Å; F1581-F1788 HydrophobicContact CB-CZ 4.5Å; F1581-F1788 AromaticContact CD2-CE2 3.77Å; F1581-F1788 HydrophobicContact CD2-CE2 3.77Å; F1581-F1788 AromaticContact CD2-CZ 3.76Å; F1581-F1788 HydrophobicContact CD2-CZ 3.76Å; F1581-F1788 HydrophobicContact CE2-CE2 4.3Å; F1581-F1788 HydrophobicContact CE2-CZ 4.42Å; F1581-F1788 HydrophobicContact CG-CE2 4.17Å; F1581-F1788 HydrophobicContact CG-CZ 4.42Å; V1597-F1788 HydrophobicContact CB-CD2 3.97Å; V1597-F1788 HydrophobicContact CB-CE2 4.22Å; V1597-F1788 HydrophobicContact CG1-CD2 3.63Å; V1597-F1788 HydrophobicContact CG1-CE2 3.6Å; W1598-F1788 HydrophobicContact CE3-CB 4.29Å; F1601-F1788 HydrophobicContact CD2-CD2 4.39Å; F1601-F1788 AromaticContact CE2-CD2 3.62Å; F1601-F1788 HydrophobicContact CE2-CD2 3.62Å; F1601-F1788 AromaticContact CE2-CE2 3.82Å; F1601-F1788 HydrophobicContact CE2-CE2 3.82Å; F1601-F1788 HydrophobicContact CZ-CD2 4.14Å; F1601-F1788 AromaticContact CZ-CE2 3.9Å; F1601-F1788 HydrophobicContact CZ-CE2 3.9Å; K1784-F1788 PolarHBondContact O-N 2.85Å; K1784-F1788 VanDerWaalsContact O-N 3.09Å; E1785-F1788 WeakPolarHBondContact O-CB 3.18Å; E1785-F1788 PolarHBondContact O-N 3.31Å; F1788-R1790 PolarHBondContact O-N 3.47Å; F1788-F1791 PolarHBondContact O-N 3.2Å; F1788-I1792 HydrophobicContact CD1-CG1 4.24Å; F1788-I1792 HydrophobicContact CD2-CG1 4.16Å; F1788-I1792 HydrophobicContact CE1-CG1 3.76Å; F1788-I1792 HydrophobicContact CE2-CD1 3.81Å; F1788-I1792 HydrophobicContact CE2-CG1 3.68Å; F1788-I1792 HydrophobicContact CG-CG1 4.42Å; F1788-I1792 HydrophobicContact CZ-CD1 3.82Å; F1788-I1792 HydrophobicContact CZ-CG1 3.46Å; F1788-I1792 VanDerWaalsContact CZ-CG1 3.46Å; F1788-I1792 WeakPolarHBondContact O-CG1 3.34Å; F1788-I1792 PolarHBondContact O-N 3.09Å |
| 1789 | Q | 86.9 | Confident | 84.1 | Confident | 44 Ų | 44 | 28.3 Ų | 28.3 | 21% | 0.206 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.9 | -48.8 | 177.7 | -178.9 | -179.6 | -2.5 | 0 | 0 | 112.1 | C1568 V1574 E1785 G1786 F1791 I1792 C1793 | C1568-Q1789 PolarHBondContact SG-NE2 3.33Å; C1568-Q1789 VanDerWaalsContact SG-NE2 3.42Å; V1574-Q1789 HydrophobicContact CG1-CB 4.35Å; V1574-Q1789 HydrophobicContact CG1-CG 4.08Å; E1785-Q1789 PolarHBondContact O-N 2.95Å; G1786-Q1789 PolarHBondContact O-N 3.4Å; Q1789-F1791 PolarHBondContact O-N 3.05Å; Q1789-I1792 PolarHBondContact O-N 2.93Å; Q1789-C1793 PolarHBondContact O-N 3.32Å; Q1789-C1793 PolarHBondContact O-SG 3.23Å |
| 1790 | R | 85.9 | Confident | 84.4 | Confident | 23 Ų | 23 | 29.5 Ų | 29.5 | 9% | 0.087 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 176.5 | 176.7 | 171.2 | -76.9 | 173.8 | -8.4 | 111.8 | I1775 S1779 G1786 K1787 F1788 C1793 H1794 L1851 L1852 | I1775-R1790 HydrophobicContact CD1-CG 4.17Å; I1775-R1790 HydrophobicContact CG1-CG 4.41Å; S1779-R1790 PolarHBondContact OG-NH1 2.99Å; G1786-R1790 WeakPolarHBondContact O-CB 3.47Å; G1786-R1790 PolarHBondContact O-N 3.21Å; K1787-R1790 PolarHBondContact O-N 3.28Å; F1788-R1790 PolarHBondContact O-N 3.47Å; R1790-C1793 PolarHBondContact O-N 2.95Å; R1790-H1794 PolarHBondContact O-CD2 3.46Å; R1790-H1794 PolarHBondContact O-N 2.73Å; R1790-L1851 PolarHBondContact NE-O 3.19Å; R1790-L1851 PolarHBondContact NH2-O 3.24Å; R1790-L1852 PolarHBondContact NE-O 3.25Å |
| 1791 | F | 90.6 | Very high | 84.9 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 176.7 | 173.6 | -85.3 | 0 | 0 | 0 | 112.2 | W1598 F1601 F1768 V1772 I1775 K1787 F1788 Q1789 C1793 H1794 A1795 W1804 | W1598-F1791 HydrophobicContact CH2-CB 4.05Å; W1598-F1791 HydrophobicContact CH2-CD2 4.22Å; W1598-F1791 HydrophobicContact CH2-CG 4.38Å; W1598-F1791 HydrophobicContact CZ3-CB 3.55Å; W1598-F1791 HydrophobicContact CZ3-CD2 4.16Å; W1598-F1791 AromaticContact CZ3-CG 3.92Å; W1598-F1791 HydrophobicContact CZ3-CG 3.92Å; F1601-F1791 HydrophobicContact CD2-CD1 4.13Å; F1601-F1791 HydrophobicContact CD2-CE1 4.14Å; F1601-F1791 AromaticContact CE2-CD1 3.57Å; F1601-F1791 HydrophobicContact CE2-CD1 3.57Å; F1601-F1791 AromaticContact CE2-CE1 3.55Å; F1601-F1791 HydrophobicContact CE2-CE1 3.55Å; F1601-F1791 HydrophobicContact CE2-CG 4.35Å; F1601-F1791 HydrophobicContact CE2-CZ 4.29Å; F1601-F1791 HydrophobicContact CZ-CD1 4.45Å; F1601-F1791 HydrophobicContact CZ-CE1 4.08Å; F1768-F1791 HydrophobicContact CD2-CE2 4.19Å; F1768-F1791 AromaticContact CD2-CZ 3.71Å; F1768-F1791 HydrophobicContact CD2-CZ 3.71Å; F1768-F1791 HydrophobicContact CE2-CE1 4.4Å; F1768-F1791 HydrophobicContact CE2-CE2 4.08Å; F1768-F1791 AromaticContact CE2-CZ 3.52Å; F1768-F1791 HydrophobicContact CE2-CZ 3.52Å; V1772-F1791 HydrophobicContact CG2-CD2 4.25Å; V1772-F1791 HydrophobicContact CG2-CE2 3.82Å; I1775-F1791 HydrophobicContact CD1-CB 3.69Å; I1775-F1791 HydrophobicContact CD1-CD2 4.13Å; I1775-F1791 HydrophobicContact CD1-CG 4.38Å; K1787-F1791 VanDerWaalsContact O-CB 3.3Å; K1787-F1791 WeakPolarHBondContact O-CB 3.41Å; K1787-F1791 PolarHBondContact O-N 2.9Å; F1788-F1791 PolarHBondContact O-N 3.2Å; Q1789-F1791 PolarHBondContact O-N 3.05Å; F1791-C1793 VanDerWaalsContact C-N 3.34Å; F1791-C1793 PolarHBondContact O-N 3.49Å; F1791-H1794 PolarHBondContact O-N 3.33Å; F1791-A1795 HydrophobicContact CE1-CB 4.25Å; F1791-A1795 WeakPolarHBondContact O-CB 3.39Å; F1791-A1795 PolarHBondContact O-N 3.04Å; F1791-W1804 HydrophobicContact CE1-CE3 4.19Å; F1791-W1804 HydrophobicContact CE1-CZ3 4.14Å; F1791-W1804 HydrophobicContact CE2-CE3 4.24Å; F1791-W1804 HydrophobicContact CE2-CH2 4.36Å; F1791-W1804 AromaticContact CE2-CZ3 3.63Å; F1791-W1804 HydrophobicContact CE2-CZ3 3.63Å; F1791-W1804 AromaticContact CZ-CE3 3.5Å; F1791-W1804 HydrophobicContact CZ-CE3 3.5Å; F1791-W1804 HydrophobicContact CZ-CH2 4.4Å; F1791-W1804 AromaticContact CZ-CZ3 3.32Å; F1791-W1804 HydrophobicContact CZ-CZ3 3.32Å |
| 1792 | I | 88.5 | Confident | 85 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66 | -37.4 | 177.9 | -65.1 | -64.9 | 0 | 0 | 0 | 111.1 | V1574 L1577 F1581 F1788 Q1789 A1795 L1796 L1801 | V1574-I1792 HydrophobicContact CB-CG2 4.35Å; V1574-I1792 HydrophobicContact CG1-CB 4.05Å; V1574-I1792 HydrophobicContact CG1-CG2 3.96Å; V1574-I1792 HydrophobicContact CG2-CG2 3.85Å; L1577-I1792 HydrophobicContact CD1-CG2 3.7Å; F1581-I1792 HydrophobicContact CE2-CD1 3.97Å; F1788-I1792 HydrophobicContact CD1-CG1 4.24Å; F1788-I1792 HydrophobicContact CD2-CG1 4.16Å; F1788-I1792 HydrophobicContact CE1-CG1 3.76Å; F1788-I1792 HydrophobicContact CE2-CD1 3.81Å; F1788-I1792 HydrophobicContact CE2-CG1 3.68Å; F1788-I1792 HydrophobicContact CG-CG1 4.42Å; F1788-I1792 HydrophobicContact CZ-CD1 3.82Å; F1788-I1792 HydrophobicContact CZ-CG1 3.46Å; F1788-I1792 VanDerWaalsContact CZ-CG1 3.46Å; F1788-I1792 WeakPolarHBondContact O-CG1 3.34Å; F1788-I1792 PolarHBondContact O-N 3.09Å; Q1789-I1792 PolarHBondContact O-N 2.93Å; I1792-A1795 PolarHBondContact O-N 3.42Å; I1792-L1796 HydrophobicContact CG2-CD1 3.47Å; I1792-L1796 VanDerWaalsContact CG2-CD1 3.47Å; I1792-L1796 HydrophobicContact CG2-CG 4.36Å; I1792-L1796 WeakPolarHBondContact O-CB 3.14Å; I1792-L1796 WeakPolarHBondContact O-CD1 3.47Å; I1792-L1796 WeakPolarHBondContact O-CG 3.46Å; I1792-L1796 PolarHBondContact O-N 3.23Å; I1792-L1801 HydrophobicContact CD1-CD1 3.89Å; I1792-L1801 HydrophobicContact CD1-CD2 3.98Å; I1792-L1801 HydrophobicContact CG2-CD2 4.38Å |
| 1793 | C | 84.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 174 | -63.8 | 0 | 0 | 0 | 0 | 112 | Q1789 R1790 F1791 R1797 F1847 L1852 | Q1789-C1793 PolarHBondContact O-N 3.32Å; Q1789-C1793 PolarHBondContact O-SG 3.23Å; R1790-C1793 PolarHBondContact O-N 2.95Å; F1791-C1793 VanDerWaalsContact C-N 3.34Å; F1791-C1793 PolarHBondContact O-N 3.49Å; C1793-R1797 VanDerWaalsContact O-CB 3.29Å; C1793-R1797 WeakPolarHBondContact O-CB 3.16Å; C1793-R1797 PolarHBondContact O-N 3.42Å; C1793-F1847 HydrophobicContact CB-CD1 4.12Å; C1793-F1847 HydrophobicContact CB-CE1 3.97Å; C1793-F1847 HydrophobicContact CB-CZ 4.34Å; C1793-L1852 HydrophobicContact CB-CD2 4.46Å |
| 1794 | H | 84.6 | Confident | 85.5 | Confident | 13 Ų | 13 | 24.7 Ų | 24.7 | 6% | 0.06 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.2 | -50.4 | 173.9 | -87.9 | -81.6 | 0 | 0 | 0 | 112.4 | Y1771 R1790 F1791 L1796 R1797 D1798 | Y1771-H1794 HydrophobicContact CD1-CB 4.18Å; Y1771-H1794 HydrophobicContact CE1-CB 4.09Å; Y1771-H1794 AromaticContact CE1-CE1 3.96Å; R1790-H1794 PolarHBondContact O-CD2 3.46Å; R1790-H1794 PolarHBondContact O-N 2.73Å; F1791-H1794 PolarHBondContact O-N 3.33Å; H1794-L1796 PolarHBondContact O-N 3.25Å; H1794-R1797 PolarHBondContact CE1-NH1 3.48Å; H1794-R1797 PolarHBondContact CE1-NH2 3.21Å; H1794-R1797 PolarHBondContact ND1-NH2 3.36Å; H1794-R1797 PolarHBondContact NE2-NH1 2.92Å; H1794-R1797 PolarHBondContact O-N 3.15Å; H1794-R1797 VanDerWaalsContact O-N 3.16Å; H1794-D1798 IonicContact CE1-OD2 3.52Å; H1794-D1798 PolarHBondContact CE1-OD2 3.05Å; H1794-D1798 IonicContact ND1-OD2 3.13Å; H1794-D1798 WeakPolarHBondContact O-CB 3.4Å; H1794-D1798 VanDerWaalsContact O-CG 3.32Å; H1794-D1798 PolarHBondContact O-N 3.01Å; H1794-D1798 VanDerWaalsContact O-OD2 3.08Å |
| 1795 | A | 86.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.9 | -28.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1791 I1792 H1799 L1800 L1801 W1804 | F1791-A1795 HydrophobicContact CE1-CB 4.25Å; F1791-A1795 WeakPolarHBondContact O-CB 3.39Å; F1791-A1795 PolarHBondContact O-N 3.04Å; I1792-A1795 PolarHBondContact O-N 3.42Å; A1795-H1799 PolarHBondContact O-N 3.48Å; A1795-L1800 PolarHBondContact O-N 2.61Å; A1795-L1801 HydrophobicContact CB-CB 3.97Å; A1795-L1801 HydrophobicContact CB-CD1 4.06Å; A1795-L1801 HydrophobicContact CB-CG 4.5Å; A1795-L1801 PolarHBondContact O-N 2.93Å; A1795-L1801 VanDerWaalsContact O-N 3.07Å; A1795-W1804 HydrophobicContact CB-CE3 3.96Å; A1795-W1804 HydrophobicContact CB-CZ3 3.59Å |
| 1796 | L | 83.6 | Confident | 85.6 | Confident | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -81.3 | -48.3 | 172.3 | -71.1 | 162.7 | 0 | 0 | 0 | 111 | W1567 L1573 L1577 I1792 H1794 D1798 H1799 L1801 L1837 L1845 | W1567-L1796 HydrophobicContact CE3-CD1 4.28Å; W1567-L1796 HydrophobicContact CH2-CB 4.49Å; W1567-L1796 HydrophobicContact CZ3-CB 3.99Å; W1567-L1796 HydrophobicContact CZ3-CD1 3.69Å; W1567-L1796 HydrophobicContact CZ3-CG 4.3Å; L1573-L1796 HydrophobicContact CD2-CD1 4.18Å; L1577-L1796 HydrophobicContact CD1-CD1 3.69Å; I1792-L1796 HydrophobicContact CG2-CD1 3.47Å; I1792-L1796 VanDerWaalsContact CG2-CD1 3.47Å; I1792-L1796 HydrophobicContact CG2-CG 4.36Å; I1792-L1796 WeakPolarHBondContact O-CB 3.14Å; I1792-L1796 WeakPolarHBondContact O-CD1 3.47Å; I1792-L1796 WeakPolarHBondContact O-CG 3.46Å; I1792-L1796 PolarHBondContact O-N 3.23Å; H1794-L1796 PolarHBondContact O-N 3.25Å; L1796-D1798 PolarHBondContact O-N 3.46Å; L1796-H1799 PolarHBondContact O-N 3.24Å; L1796-H1799 PolarHBondContact O-ND1 3.11Å; L1796-L1801 HydrophobicContact CD1-CD2 4.16Å; L1796-L1801 HydrophobicContact CD2-CB 4.18Å; L1796-L1801 HydrophobicContact CD2-CD2 3.82Å; L1796-L1801 HydrophobicContact CG-CB 4.45Å; L1796-L1801 HydrophobicContact CG-CD2 3.87Å; L1796-L1837 HydrophobicContact CD2-CD2 3.81Å; L1796-L1845 HydrophobicContact CB-CD1 4.2Å; L1796-L1845 WeakPolarHBondContact O-CD1 3.34Å |
| 1797 | R | 83 | Confident | 85.7 | Confident | 70 Ų | 70 | 23 Ų | 23 | 26% | 0.264 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -50.8 | -41.1 | 175.2 | -174.3 | -164.6 | 69.6 | 176.7 | -1.8 | 113 | C1793 H1794 H1799 F1847 | C1793-R1797 VanDerWaalsContact O-CB 3.29Å; C1793-R1797 WeakPolarHBondContact O-CB 3.16Å; C1793-R1797 PolarHBondContact O-N 3.42Å; H1794-R1797 PolarHBondContact CE1-NH1 3.48Å; H1794-R1797 PolarHBondContact CE1-NH2 3.21Å; H1794-R1797 PolarHBondContact ND1-NH2 3.36Å; H1794-R1797 PolarHBondContact NE2-NH1 2.92Å; H1794-R1797 PolarHBondContact O-N 3.15Å; H1794-R1797 VanDerWaalsContact O-N 3.16Å; R1797-H1799 PolarHBondContact O-CD2 3.49Å; R1797-F1847 HydrophobicContact CB-CD2 4.03Å; R1797-F1847 HydrophobicContact CB-CE2 3.78Å; R1797-F1847 HydrophobicContact CG-CD2 4.28Å; R1797-F1847 HydrophobicContact CG-CE2 4.42Å |
| 1798 | D | 84.1 | Confident | 85.7 | Confident | 46 Ų | 46 | 21.9 Ų | 21.9 | 25% | 0.246 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 3.5 | -174.3 | -56.1 | -40.2 | 0 | 0 | 0 | 112.3 | Y1771 H1794 L1796 L1800 | Y1771-D1798 WeakPolarHBondContact CE1-OD2 3.34Å; Y1771-D1798 PolarHBondContact OH-OD2 3.2Å; Y1771-D1798 VanDerWaalsContact OH-OD2 3.13Å; H1794-D1798 IonicContact CE1-OD2 3.52Å; H1794-D1798 PolarHBondContact CE1-OD2 3.05Å; H1794-D1798 IonicContact ND1-OD2 3.13Å; H1794-D1798 WeakPolarHBondContact O-CB 3.4Å; H1794-D1798 VanDerWaalsContact O-CG 3.32Å; H1794-D1798 PolarHBondContact O-N 3.01Å; H1794-D1798 VanDerWaalsContact O-OD2 3.08Å; L1796-D1798 PolarHBondContact O-N 3.46Å; D1798-L1800 VanDerWaalsContact C-N 3.32Å; D1798-L1800 HydrophobicContact CB-CD1 3.92Å; D1798-L1800 HydrophobicContact CB-CG 3.98Å; D1798-L1800 WeakPolarHBondContact O-CD2 3.37Å; D1798-L1800 WeakPolarHBondContact O-CG 3.48Å; D1798-L1800 PolarHBondContact O-N 2.93Å |
| 1799 | H | 85.2 | Confident | 85.5 | Confident | 57 Ų | 57 | 22 Ų | 22 | 26% | 0.264 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 33 | 176.8 | -56.6 | -67.1 | 0 | 0 | 0 | 115 | A1795 L1796 R1797 D1841 F1843 | A1795-H1799 PolarHBondContact O-N 3.48Å; L1796-H1799 PolarHBondContact O-N 3.24Å; L1796-H1799 PolarHBondContact O-ND1 3.11Å; R1797-H1799 PolarHBondContact O-CD2 3.49Å; H1799-D1841 HydrophobicContact CB-CB 4.35Å; H1799-D1841 WeakPolarHBondContact CB-OD1 3.29Å; H1799-D1841 IonicContact CE1-OD1 3.37Å; H1799-D1841 IonicContact CG-OD1 2.81Å; H1799-D1841 WeakPolarHBondContact ND1-CA 3.49Å; H1799-D1841 IonicContact ND1-OD1 3.2Å; H1799-D1841 PolarHBondContact ND1-OD1 2.89Å; H1799-F1843 PolarHBondContact CE1-O 3.09Å; H1799-F1843 VanDerWaalsContact CE1-O 3.24Å; H1799-F1843 PolarHBondContact NE2-O 2.86Å |
| 1800 | L | 84.7 | Confident | 85.3 | Confident | 24 Ų | 24 | 23.1 Ų | 23.1 | 13% | 0.126 | 12% | 0.118 | C | C | . | . | trans | -102.7 | -19 | -174.1 | -53.5 | 176 | 0 | 0 | 0 | 113.7 | Q1767 Y1771 A1795 D1798 S1802 D1803 W1804 | Q1767-L1800 HydrophobicContact CG-CD1 4.36Å; Q1767-L1800 VanDerWaalsContact NE2-CD1 3.27Å; Y1771-L1800 HydrophobicContact CE1-CD1 4.41Å; Y1771-L1800 HydrophobicContact CE2-CD1 4.28Å; A1795-L1800 PolarHBondContact O-N 2.61Å; D1798-L1800 VanDerWaalsContact C-N 3.32Å; D1798-L1800 HydrophobicContact CB-CD1 3.92Å; D1798-L1800 HydrophobicContact CB-CG 3.98Å; D1798-L1800 WeakPolarHBondContact O-CD2 3.37Å; D1798-L1800 WeakPolarHBondContact O-CG 3.48Å; D1798-L1800 PolarHBondContact O-N 2.93Å; L1800-S1802 VanDerWaalsContact C-N 3.3Å; L1800-S1802 PolarHBondContact O-N 2.95Å; L1800-D1803 PolarHBondContact O-N 3.28Å; L1800-W1804 HydrophobicContact CB-CD2 3.99Å; L1800-W1804 HydrophobicContact CB-CE3 4.24Å; L1800-W1804 HydrophobicContact CB-CH2 4.01Å; L1800-W1804 HydrophobicContact CB-CZ2 3.75Å; L1800-W1804 HydrophobicContact CB-CZ3 4.25Å; L1800-W1804 HydrophobicContact CD1-CH2 3.7Å; L1800-W1804 HydrophobicContact CD1-CZ2 3.46Å; L1800-W1804 VanDerWaalsContact CD1-CZ2 3.46Å; L1800-W1804 HydrophobicContact CG-CZ2 4.2Å; L1800-W1804 VanDerWaalsContact O-CG 3.32Å; L1800-W1804 PolarHBondContact O-N 2.92Å; L1800-W1804 VanDerWaalsContact O-N 3.09Å | ||
| 1801 | L | 85.7 | Confident | 85.2 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.9 | -34 | -170.3 | -169.9 | 62 | 0 | 0 | 0 | 113 | L1577 F1581 I1792 A1795 L1796 W1804 L1805 L1837 | L1577-L1801 HydrophobicContact CD1-CD2 3.81Å; F1581-L1801 HydrophobicContact CZ-CD1 4.43Å; I1792-L1801 HydrophobicContact CD1-CD1 3.89Å; I1792-L1801 HydrophobicContact CD1-CD2 3.98Å; I1792-L1801 HydrophobicContact CG2-CD2 4.38Å; A1795-L1801 HydrophobicContact CB-CB 3.97Å; A1795-L1801 HydrophobicContact CB-CD1 4.06Å; A1795-L1801 HydrophobicContact CB-CG 4.5Å; A1795-L1801 PolarHBondContact O-N 2.93Å; A1795-L1801 VanDerWaalsContact O-N 3.07Å; L1796-L1801 HydrophobicContact CD1-CD2 4.16Å; L1796-L1801 HydrophobicContact CD2-CB 4.18Å; L1796-L1801 HydrophobicContact CD2-CD2 3.82Å; L1796-L1801 HydrophobicContact CG-CB 4.45Å; L1796-L1801 HydrophobicContact CG-CD2 3.87Å; L1801-W1804 PolarHBondContact O-N 3.2Å; L1801-L1805 WeakPolarHBondContact O-CG 3.43Å; L1801-L1805 PolarHBondContact O-N 3.09Å; L1801-L1837 HydrophobicContact CB-CD1 4.5Å; L1801-L1837 HydrophobicContact CD2-CD1 3.94Å; L1801-L1837 HydrophobicContact CG-CD1 4.07Å |
| 1802 | S | 83 | Confident | 84.7 | Confident | 12 Ų | 12 | 23.3 Ų | 23.3 | 8% | 0.084 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.3 | -52 | 177.2 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | L1800 W1804 L1805 Q1834 T1838 | L1800-S1802 VanDerWaalsContact C-N 3.3Å; L1800-S1802 PolarHBondContact O-N 2.95Å; S1802-W1804 PolarHBondContact O-N 3.37Å; S1802-L1805 PolarHBondContact O-N 2.73Å; S1802-Q1834 PolarHBondContact O-NE2 3.25Å; S1802-T1838 WeakPolarHBondContact OG-CG2 3.46Å |
| 1803 | D | 82.5 | Confident | 84.5 | Confident | 95 Ų | 95 | 24.9 Ų | 24.9 | 51% | 0.508 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63 | -40.1 | 178.1 | -90.9 | -5.3 | 0 | 0 | 0 | 112.4 | L1800 L1805 S1806 I1807 | L1800-D1803 PolarHBondContact O-N 3.28Å; D1803-L1805 VanDerWaalsContact C-N 3.29Å; D1803-L1805 PolarHBondContact O-N 2.99Å; D1803-S1806 WeakPolarHBondContact O-CB 3.23Å; D1803-S1806 PolarHBondContact O-N 3.02Å; D1803-S1806 VanDerWaalsContact O-N 3.17Å; D1803-I1807 PolarHBondContact O-N 3.5Å |
| 1804 | W | 88.2 | Confident | 84.6 | Confident | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.9 | -30.3 | -178.9 | -69.5 | -8.7 | 0 | 0 | 0 | 113.1 | S1764 Q1767 F1768 Y1771 F1791 A1795 L1800 L1801 S1802 S1806 I1807 L1808 | S1764-W1804 PolarHBondContact O-NE1 3.08Å; Q1767-W1804 HydrophobicContact CB-CZ2 4.43Å; Q1767-W1804 HydrophobicContact CG-CZ2 4.18Å; F1768-W1804 HydrophobicContact CB-CD2 4.06Å; F1768-W1804 HydrophobicContact CB-CG 4.27Å; F1768-W1804 HydrophobicContact CB-CZ2 4.23Å; F1768-W1804 HydrophobicContact CD2-CB 4.49Å; F1768-W1804 AromaticContact CD2-CD2 3.97Å; F1768-W1804 HydrophobicContact CD2-CD2 3.97Å; F1768-W1804 AromaticContact CD2-CE3 3.94Å; F1768-W1804 HydrophobicContact CD2-CE3 3.94Å; F1768-W1804 HydrophobicContact CD2-CG 4.24Å; F1768-W1804 HydrophobicContact CD2-CZ3 4.48Å; Y1771-W1804 AromaticContact CD1-CH2 3.8Å; Y1771-W1804 HydrophobicContact CD1-CH2 3.8Å; Y1771-W1804 HydrophobicContact CD2-CH2 4.01Å; Y1771-W1804 HydrophobicContact CD2-CZ2 4.36Å; Y1771-W1804 HydrophobicContact CE1-CH2 4.35Å; Y1771-W1804 AromaticContact CG-CH2 3.61Å; Y1771-W1804 HydrophobicContact CG-CH2 3.61Å; Y1771-W1804 HydrophobicContact CG-CZ2 4.38Å; F1791-W1804 HydrophobicContact CE1-CE3 4.19Å; F1791-W1804 HydrophobicContact CE1-CZ3 4.14Å; F1791-W1804 HydrophobicContact CE2-CE3 4.24Å; F1791-W1804 HydrophobicContact CE2-CH2 4.36Å; F1791-W1804 AromaticContact CE2-CZ3 3.63Å; F1791-W1804 HydrophobicContact CE2-CZ3 3.63Å; F1791-W1804 AromaticContact CZ-CE3 3.5Å; F1791-W1804 HydrophobicContact CZ-CE3 3.5Å; F1791-W1804 HydrophobicContact CZ-CH2 4.4Å; F1791-W1804 AromaticContact CZ-CZ3 3.32Å; F1791-W1804 HydrophobicContact CZ-CZ3 3.32Å; A1795-W1804 HydrophobicContact CB-CE3 3.96Å; A1795-W1804 HydrophobicContact CB-CZ3 3.59Å; L1800-W1804 HydrophobicContact CB-CD2 3.99Å; L1800-W1804 HydrophobicContact CB-CE3 4.24Å; L1800-W1804 HydrophobicContact CB-CH2 4.01Å; L1800-W1804 HydrophobicContact CB-CZ2 3.75Å; L1800-W1804 HydrophobicContact CB-CZ3 4.25Å; L1800-W1804 HydrophobicContact CD1-CH2 3.7Å; L1800-W1804 HydrophobicContact CD1-CZ2 3.46Å; L1800-W1804 VanDerWaalsContact CD1-CZ2 3.46Å; L1800-W1804 HydrophobicContact CG-CZ2 4.2Å; L1800-W1804 VanDerWaalsContact O-CG 3.32Å; L1800-W1804 PolarHBondContact O-N 2.92Å; L1800-W1804 VanDerWaalsContact O-N 3.09Å; L1801-W1804 PolarHBondContact O-N 3.2Å; S1802-W1804 PolarHBondContact O-N 3.37Å; W1804-S1806 VanDerWaalsContact C-N 3.3Å; W1804-S1806 PolarHBondContact O-N 2.98Å; W1804-I1807 PolarHBondContact O-N 2.88Å; W1804-I1807 VanDerWaalsContact O-N 3.15Å; W1804-L1808 WeakPolarHBondContact O-CB 3.49Å; W1804-L1808 VanDerWaalsContact O-CG 3.26Å; W1804-L1808 WeakPolarHBondContact O-CG 3.32Å; W1804-L1808 PolarHBondContact O-N 3.42Å |
| 1805 | L | 87.9 | Confident | 84.6 | Confident | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.8 | -39.4 | 173.3 | -72.7 | 167.9 | 0 | 0 | 0 | 112.4 | F1581 L1801 S1802 D1803 I1807 A1809 L1824 R1830 I1833 Q1834 L1837 | F1581-L1805 HydrophobicContact CE1-CD2 4.12Å; F1581-L1805 HydrophobicContact CZ-CD2 3.75Å; L1801-L1805 WeakPolarHBondContact O-CG 3.43Å; L1801-L1805 PolarHBondContact O-N 3.09Å; S1802-L1805 PolarHBondContact O-N 2.73Å; D1803-L1805 VanDerWaalsContact C-N 3.29Å; D1803-L1805 PolarHBondContact O-N 2.99Å; L1805-I1807 VanDerWaalsContact C-N 3.35Å; L1805-I1807 PolarHBondContact O-N 2.95Å; L1805-A1809 PolarHBondContact O-N 2.89Å; L1805-L1824 HydrophobicContact CD2-CD2 3.67Å; L1805-R1830 HydrophobicContact CB-CG 4.25Å; L1805-R1830 WeakPolarHBondContact O-CD 3.23Å; L1805-I1833 HydrophobicContact CD1-CG2 3.91Å; L1805-Q1834 HydrophobicContact CB-CG 4.11Å; L1805-Q1834 HydrophobicContact CD1-CG 3.85Å; L1805-L1837 HydrophobicContact CD1-CD1 3.95Å |
| 1806 | S | 84.1 | Confident | 84.5 | Confident | 48 Ų | 48 | 35.4 Ų | 35.4 | 34% | 0.336 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 175.3 | -69.7 | 0 | 0 | 0 | 0 | 112.4 | D1803 W1804 I1810 Q1834 | D1803-S1806 WeakPolarHBondContact O-CB 3.23Å; D1803-S1806 PolarHBondContact O-N 3.02Å; D1803-S1806 VanDerWaalsContact O-N 3.17Å; W1804-S1806 VanDerWaalsContact C-N 3.3Å; W1804-S1806 PolarHBondContact O-N 2.98Å; S1806-I1810 WeakPolarHBondContact O-CD1 3.39Å; S1806-I1810 WeakPolarHBondContact O-CG1 3.28Å; S1806-Q1834 PolarHBondContact OG-NE2 3.07Å |
| 1807 | I | 84.3 | Confident | 84.5 | Confident | 11 Ų | 11 | 36.4 Ų | 36.4 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -78.5 | -41.2 | -175 | -66.6 | 169.1 | 0 | 0 | 0 | 110.9 | F1608 A1765 D1803 W1804 L1805 A1809 I1810 | F1608-I1807 HydrophobicContact CE2-CG2 3.65Å; F1608-I1807 HydrophobicContact CZ-CG2 3.64Å; A1765-I1807 HydrophobicContact CB-CG2 3.85Å; D1803-I1807 PolarHBondContact O-N 3.5Å; W1804-I1807 PolarHBondContact O-N 2.88Å; W1804-I1807 VanDerWaalsContact O-N 3.15Å; L1805-I1807 VanDerWaalsContact C-N 3.35Å; L1805-I1807 PolarHBondContact O-N 2.95Å; I1807-A1809 VanDerWaalsContact C-N 3.26Å; I1807-A1809 PolarHBondContact O-N 3.5Å; I1807-I1810 PolarHBondContact O-N 3.03Å |
| 1808 | L | 86.8 | Confident | 84.7 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.8 | -40.1 | 172.5 | -73.1 | 177.9 | 0 | 0 | 0 | 111.6 | F1581 Y1600 F1601 V1604 F1768 W1804 I1810 S1811 T1814 L1824 | F1581-L1808 HydrophobicContact CE1-CD1 3.89Å; F1581-L1808 HydrophobicContact CZ-CD1 4.36Å; Y1600-L1808 HydrophobicContact CE1-CD2 4.32Å; F1601-L1808 HydrophobicContact CE1-CD1 3.97Å; V1604-L1808 HydrophobicContact CB-CD2 4.41Å; V1604-L1808 HydrophobicContact CG1-CD2 3.84Å; F1768-L1808 HydrophobicContact CE1-CD2 4.17Å; F1768-L1808 HydrophobicContact CE2-CD1 4.39Å; F1768-L1808 HydrophobicContact CE2-CD2 3.88Å; F1768-L1808 HydrophobicContact CE2-CG 4.46Å; F1768-L1808 HydrophobicContact CZ-CD2 3.69Å; W1804-L1808 WeakPolarHBondContact O-CB 3.49Å; W1804-L1808 VanDerWaalsContact O-CG 3.26Å; W1804-L1808 WeakPolarHBondContact O-CG 3.32Å; W1804-L1808 PolarHBondContact O-N 3.42Å; L1808-I1810 PolarHBondContact O-N 3.45Å; L1808-S1811 PolarHBondContact O-N 3.44Å; L1808-T1814 WeakPolarHBondContact O-CB 3.29Å; L1808-T1814 PolarHBondContact O-OG1 2.72Å; L1808-L1824 HydrophobicContact CB-CD2 4.21Å |
| 1809 | A | 84.8 | Confident | 84.7 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 5% | 0.05 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1805 I1807 L1824 | L1805-A1809 PolarHBondContact O-N 2.89Å; I1807-A1809 VanDerWaalsContact C-N 3.26Å; I1807-A1809 PolarHBondContact O-N 3.5Å; A1809-L1824 WeakPolarHBondContact CB-O 3.49Å |
| 1810 | I | 83.1 | Confident | 84.5 | Confident | 66 Ų | 66 | 37.6 Ų | 37.6 | 34% | 0.338 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -17.2 | -175.9 | -65.2 | 169.2 | 0 | 0 | 0 | 112.2 | M1757 S1806 I1807 L1808 | M1757-I1810 HydrophobicContact CE-CD1 3.55Å; M1757-I1810 HydrophobicContact CE-CG2 4.13Å; M1757-I1810 HydrophobicContact SD-CG2 4.18Å; S1806-I1810 WeakPolarHBondContact O-CD1 3.39Å; S1806-I1810 WeakPolarHBondContact O-CG1 3.28Å; I1807-I1810 PolarHBondContact O-N 3.03Å; L1808-I1810 PolarHBondContact O-N 3.45Å |
| 1811 | S | 83.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -66 | 132.3 | 176 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | L1808 I1813 T1814 | L1808-S1811 PolarHBondContact O-N 3.44Å; S1811-I1813 PolarHBondContact O-N 3.22Å; S1811-I1813 VanDerWaalsContact O-N 3.15Å; S1811-I1813 PolarHBondContact OG-N 3.01Å; S1811-T1814 WeakPolarHBondContact O-CB 3.5Å; S1811-T1814 PolarHBondContact O-N 3.49Å; S1811-T1814 PolarHBondContact O-OG1 3.39Å |
| 1812 | P | 79.4 | Confident | 84.4 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 19% | 0.188 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.7 | -18 | 175.8 | 27.3 | -34.6 | 0 | 0 | 0 | 112.9 | T1814 N1816 | P1812-T1814 VanDerWaalsContact C-N 3.31Å; P1812-N1816 PolarHBondContact O-N 3.22Å; P1812-N1816 PolarHBondContact O-ND2 2.88Å; P1812-N1816 VanDerWaalsContact O-ND2 3.08Å |
| 1813 | I | 85.5 | Confident | 84.6 | Confident | 33 Ų | 33 | 45.4 Ų | 45.4 | 17% | 0.169 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.2 | -34.7 | 173.3 | -66 | -179 | 0 | 0 | 0 | 110.9 | Y1600 K1603 V1604 D1607 S1811 N1816 M1817 | Y1600-I1813 HydrophobicContact CD2-CG2 4.23Å; Y1600-I1813 HydrophobicContact CE2-CG2 4.4Å; K1603-I1813 HydrophobicContact CB-CD1 4.1Å; K1603-I1813 HydrophobicContact CB-CG2 4.17Å; K1603-I1813 WeakPolarHBondContact O-CD1 3.31Å; V1604-I1813 HydrophobicContact CG2-CB 4.1Å; V1604-I1813 HydrophobicContact CG2-CG2 4.03Å; D1607-I1813 HydrophobicContact CB-CD1 3.51Å; D1607-I1813 HydrophobicContact CB-CG1 4.44Å; S1811-I1813 PolarHBondContact O-N 3.22Å; S1811-I1813 VanDerWaalsContact O-N 3.15Å; S1811-I1813 PolarHBondContact OG-N 3.01Å; I1813-N1816 PolarHBondContact O-N 3.19Å; I1813-M1817 HydrophobicContact CG2-CG 4.24Å; I1813-M1817 HydrophobicContact CG2-SD 3.81Å; I1813-M1817 WeakPolarHBondContact O-CB 3.45Å; I1813-M1817 PolarHBondContact O-N 3.04Å |
| 1814 | T | 86.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 178 | -47.9 | 0 | 0 | 0 | 0 | 111.3 | Y1600 L1808 S1811 P1812 N1816 M1817 Y1818 L1824 L1825 | Y1600-T1814 HydrophobicContact CE2-CG2 4.34Å; Y1600-T1814 WeakPolarHBondContact CE2-OG1 3.31Å; Y1600-T1814 WeakPolarHBondContact OH-CG2 3.32Å; Y1600-T1814 PolarHBondContact OH-OG1 3.41Å; L1808-T1814 WeakPolarHBondContact O-CB 3.29Å; L1808-T1814 PolarHBondContact O-OG1 2.72Å; S1811-T1814 WeakPolarHBondContact O-CB 3.5Å; S1811-T1814 PolarHBondContact O-N 3.49Å; S1811-T1814 PolarHBondContact O-OG1 3.39Å; P1812-T1814 VanDerWaalsContact C-N 3.31Å; T1814-N1816 VanDerWaalsContact C-N 3.27Å; T1814-N1816 PolarHBondContact O-N 3.33Å; T1814-M1817 PolarHBondContact O-N 3.35Å; T1814-Y1818 HydrophobicContact CG2-CD2 3.82Å; T1814-Y1818 HydrophobicContact CG2-CE2 4.39Å; T1814-Y1818 HydrophobicContact CG2-CG 4.46Å; T1814-Y1818 WeakPolarHBondContact O-CB 3.49Å; T1814-Y1818 PolarHBondContact O-N 3.5Å; T1814-L1824 HydrophobicContact CG2-CB 3.96Å; T1814-L1824 HydrophobicContact CG2-CD1 3.96Å; T1814-L1825 HydrophobicContact CG2-CD2 3.85Å; T1814-L1825 HydrophobicContact CG2-CG 4.23Å |
| 1815 | Y | 84.6 | Confident | 84.6 | Confident | 112 Ų | 112 | 42 Ų | 42 | 44% | 0.439 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.9 | -33.6 | 174 | -78.4 | -87.1 | 0 | 0 | 0 | 113.5 | R1586 L1825 | R1586-Y1815 PolarHBondContact NH2-O 2.61Å; R1586-Y1815 VanDerWaalsContact NH2-O 3.09Å; Y1815-L1825 HydrophobicContact CD1-CD1 4.35Å; Y1815-L1825 HydrophobicContact CD1-CD2 4.09Å; Y1815-L1825 HydrophobicContact CD2-CD2 4.05Å; Y1815-L1825 HydrophobicContact CE1-CD2 4Å; Y1815-L1825 HydrophobicContact CE2-CD2 3.96Å; Y1815-L1825 HydrophobicContact CG-CD2 4.11Å |
| 1816 | N | 84.3 | Confident | 84.6 | Confident | 121 Ų | 121 | 43.1 Ų | 43.1 | 65% | 0.647 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -78.2 | -35.8 | 177 | -71.8 | -41.7 | 0 | 0 | 0 | 113 | P1812 I1813 T1814 | P1812-N1816 PolarHBondContact O-N 3.22Å; P1812-N1816 PolarHBondContact O-ND2 2.88Å; P1812-N1816 VanDerWaalsContact O-ND2 3.08Å; I1813-N1816 PolarHBondContact O-N 3.19Å; T1814-N1816 VanDerWaalsContact C-N 3.27Å; T1814-N1816 PolarHBondContact O-N 3.33Å |
| 1817 | M | 84.2 | Confident | 84.7 | Confident | 25 Ų | 25 | 46.1 Ų | 46.1 | 12% | 0.123 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -95.1 | -15.9 | -174.4 | -69.5 | -170.4 | 58.6 | 0 | 0 | 114.8 | F1585 R1586 I1595 Y1600 K1603 I1813 T1814 | F1585-M1817 HydrophobicContact CE1-CE 3.71Å; F1585-M1817 HydrophobicContact CE2-CE 4.32Å; F1585-M1817 HydrophobicContact CZ-CE 3.41Å; F1585-M1817 VanDerWaalsContact CZ-CE 3.41Å; R1586-M1817 WeakPolarHBondContact CB-O 3.41Å; R1586-M1817 PolarHBondContact N-O 2.79Å; I1595-M1817 HydrophobicContact CG2-CE 3.97Å; Y1600-M1817 HydrophobicContact CD2-SD 4.18Å; K1603-M1817 HydrophobicContact CD-SD 3.83Å; I1813-M1817 HydrophobicContact CG2-CG 4.24Å; I1813-M1817 HydrophobicContact CG2-SD 3.81Å; I1813-M1817 WeakPolarHBondContact O-CB 3.45Å; I1813-M1817 PolarHBondContact O-N 3.04Å; T1814-M1817 PolarHBondContact O-N 3.35Å |
| 1818 | Y | 86.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -122.4 | 152.6 | -179.6 | -71.3 | -96.2 | 0 | 0 | 0 | 113.3 | F1581 G1584 F1585 R1586 Y1600 T1814 L1824 | F1581-Y1818 VanDerWaalsContact O-CE1 3.23Å; F1581-Y1818 WeakPolarHBondContact O-CE1 3.36Å; F1581-Y1818 PolarHBondContact O-OH 3.43Å; G1584-Y1818 CarbonylContact O-C 3.44Å; G1584-Y1818 WeakPolarHBondContact O-CA 3.24Å; F1585-Y1818 HydrophobicContact CB-CE1 4.29Å; F1585-Y1818 HydrophobicContact CD2-CD1 4.43Å; F1585-Y1818 AromaticContact CD2-CE1 3.65Å; F1585-Y1818 HydrophobicContact CD2-CE1 3.65Å; F1585-Y1818 HydrophobicContact CD2-CE2 4.07Å; F1585-Y1818 AromaticContact CD2-CZ 3.43Å; F1585-Y1818 VanDerWaalsContact CD2-CZ 3.43Å; F1585-Y1818 WeakPolarHBondContact CD2-OH 3.28Å; F1585-Y1818 HydrophobicContact CE2-CE1 4.46Å; F1585-Y1818 HydrophobicContact CE2-CE2 4.16Å; F1585-Y1818 AromaticContact CE2-CZ 3.8Å; F1585-Y1818 WeakPolarHBondContact CE2-OH 3.39Å; F1585-Y1818 HydrophobicContact CG-CE1 4.34Å; R1586-Y1818 VanDerWaalsContact CZ-O 3.28Å; R1586-Y1818 VanDerWaalsContact NE-C 3.32Å; R1586-Y1818 PolarHBondContact NE-O 2.91Å; R1586-Y1818 PolarHBondContact NH2-O 3.36Å; Y1600-Y1818 AromaticContact CD1-CE2 3.99Å; Y1600-Y1818 HydrophobicContact CD1-CE2 3.99Å; Y1600-Y1818 AromaticContact CD2-CE2 3.86Å; Y1600-Y1818 HydrophobicContact CD2-CE2 3.86Å; Y1600-Y1818 AromaticContact CE1-CE2 3.9Å; Y1600-Y1818 HydrophobicContact CE1-CE2 3.9Å; Y1600-Y1818 HydrophobicContact CE2-CD2 4.33Å; Y1600-Y1818 AromaticContact CE2-CE2 3.76Å; Y1600-Y1818 HydrophobicContact CE2-CE2 3.76Å; Y1600-Y1818 AromaticContact CG-CE2 3.98Å; Y1600-Y1818 HydrophobicContact CG-CE2 3.98Å; Y1600-Y1818 AromaticContact CZ-CE2 3.79Å; T1814-Y1818 HydrophobicContact CG2-CD2 3.82Å; T1814-Y1818 HydrophobicContact CG2-CE2 4.39Å; T1814-Y1818 HydrophobicContact CG2-CG 4.46Å; T1814-Y1818 WeakPolarHBondContact O-CB 3.49Å; T1814-Y1818 PolarHBondContact O-N 3.5Å; Y1818-L1824 HydrophobicContact CD1-CD1 4.47Å; Y1818-L1824 HydrophobicContact CD2-CD1 4.14Å; Y1818-L1824 HydrophobicContact CE1-CD1 4Å; Y1818-L1824 HydrophobicContact CE2-CD1 3.64Å |
| 1819 | E | 84.3 | Confident | 84.7 | Confident | 100 Ų | 100 | 52.3 Ų | 52.3 | 47% | 0.467 | 26% | 0.258 | S | S | . | . | trans | -78.3 | 151.6 | 169.7 | -66.1 | -174.9 | -175.1 | 0 | 0 | 111.5 | G1584 R1586 R1821 S1822 | G1584-E1819 PolarHBondContact O-N 2.95Å; R1586-E1819 HydrophobicContact CG-CG 3.92Å; E1819-R1821 PolarHBondContact O-N 3.3Å; E1819-S1822 VanDerWaalsContact O-CB 3.24Å; E1819-S1822 WeakPolarHBondContact O-CB 3.42Å; E1819-S1822 PolarHBondContact O-N 3.35Å; E1819-S1822 PolarHBondContact O-OG 3.2Å | ||
| 1820 | P | 82.2 | Confident | 85 | Confident | 98 Ų | 98 | 53.7 Ų | 53.7 | 64% | 0.636 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -20.4 | -178.2 | -25.5 | 35.1 | 0 | 0 | 0 | 115.3 | ||
| 1821 | R | 81.9 | Confident | 85.1 | Confident | 198 Ų | 198 | 55.5 Ų | 55.5 | 75% | 0.747 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -4.9 | 176.6 | -68.2 | -179.2 | 174.8 | 170.3 | -2.6 | 114 | Y1583 E1819 L1829 | Y1583-R1821 WeakPolarHBondContact CE1-O 3.34Å; E1819-R1821 PolarHBondContact O-N 3.3Å; R1821-L1829 WeakPolarHBondContact O-CD1 3.46Å |
| 1822 | S | 86.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -62.4 | 155.2 | 176.8 | 60.5 | 0 | 0 | 0 | 0 | 112.6 | Y1583 E1819 L1824 L1825 S1826 | Y1583-S1822 VanDerWaalsContact O-CB 3.28Å; Y1583-S1822 WeakPolarHBondContact O-CB 3.48Å; E1819-S1822 VanDerWaalsContact O-CB 3.24Å; E1819-S1822 WeakPolarHBondContact O-CB 3.42Å; E1819-S1822 PolarHBondContact O-N 3.35Å; E1819-S1822 PolarHBondContact O-OG 3.2Å; S1822-L1824 PolarHBondContact O-N 3.06Å; S1822-L1825 PolarHBondContact O-N 3.47Å; S1822-L1825 PolarHBondContact OG-N 2.8Å; S1822-S1826 VanDerWaalsContact O-CB 3.3Å; S1822-S1826 WeakPolarHBondContact O-CB 3.37Å; S1822-S1826 PolarHBondContact O-N 3.38Å |
| 1823 | F | 85.7 | Confident | 85.7 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 1% | 0.013 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.8 | 174.8 | -77.8 | -89 | 0 | 0 | 0 | 113.8 | I1535 V1580 Y1583 L1829 R1830 I1833 | I1535-F1823 HydrophobicContact CB-CE2 4Å; I1535-F1823 HydrophobicContact CB-CZ 4.11Å; I1535-F1823 HydrophobicContact CD1-CE2 4.34Å; I1535-F1823 HydrophobicContact CG2-CE2 3.7Å; I1535-F1823 HydrophobicContact CG2-CZ 3.95Å; V1580-F1823 HydrophobicContact CG1-CB 3.56Å; V1580-F1823 HydrophobicContact CG1-CD1 4.25Å; V1580-F1823 HydrophobicContact CG1-CD2 4.14Å; V1580-F1823 HydrophobicContact CG1-CG 3.76Å; Y1583-F1823 AromaticContact CD1-CD2 3.59Å; Y1583-F1823 HydrophobicContact CD1-CD2 3.59Å; Y1583-F1823 AromaticContact CD1-CE2 3.77Å; Y1583-F1823 HydrophobicContact CD1-CE2 3.77Å; Y1583-F1823 HydrophobicContact CE1-CD2 4.46Å; Y1583-F1823 HydrophobicContact CE1-CE2 4.38Å; Y1583-F1823 HydrophobicContact CG-CD2 4.07Å; Y1583-F1823 HydrophobicContact CG-CE2 4.1Å; F1823-L1829 HydrophobicContact CD1-CB 3.68Å; F1823-L1829 HydrophobicContact CE1-CB 4.09Å; F1823-L1829 HydrophobicContact CE1-CD2 4.15Å; F1823-L1829 HydrophobicContact CG-CB 4.29Å; F1823-R1830 VanDerWaalsContact O-CA 3.26Å; F1823-R1830 WeakPolarHBondContact O-CA 3.46Å; F1823-R1830 WeakPolarHBondContact O-CB 3.44Å; F1823-R1830 PolarHBondContact O-N 3.46Å; F1823-I1833 HydrophobicContact CD1-CD1 4.2Å; F1823-I1833 HydrophobicContact CD1-CG1 3.53Å; F1823-I1833 HydrophobicContact CE1-CD1 3.99Å; F1823-I1833 HydrophobicContact CE1-CG1 3.79Å |
| 1824 | L | 85.3 | Confident | 85.8 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -42.2 | 175.4 | -71 | 176.2 | 0 | 0 | 0 | 112.4 | F1581 Y1600 L1805 L1808 A1809 T1814 Y1818 S1822 R1830 | F1581-L1824 HydrophobicContact CD1-CD1 4.23Å; F1581-L1824 HydrophobicContact CD1-CD2 4.5Å; F1581-L1824 HydrophobicContact CE1-CD1 4.39Å; F1581-L1824 HydrophobicContact CE1-CD2 4.02Å; Y1600-L1824 HydrophobicContact CE1-CD1 3.91Å; L1805-L1824 HydrophobicContact CD2-CD2 3.67Å; L1808-L1824 HydrophobicContact CB-CD2 4.21Å; A1809-L1824 WeakPolarHBondContact CB-O 3.49Å; T1814-L1824 HydrophobicContact CG2-CB 3.96Å; T1814-L1824 HydrophobicContact CG2-CD1 3.96Å; Y1818-L1824 HydrophobicContact CD1-CD1 4.47Å; Y1818-L1824 HydrophobicContact CD2-CD1 4.14Å; Y1818-L1824 HydrophobicContact CE1-CD1 4Å; Y1818-L1824 HydrophobicContact CE2-CD1 3.64Å; S1822-L1824 PolarHBondContact O-N 3.06Å; L1824-R1830 PolarHBondContact O-NH1 2.98Å |
| 1825 | L | 86.9 | Confident | 85.8 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -38.6 | -174.2 | -64.8 | 178.1 | 0 | 0 | 0 | 112.9 | T1814 Y1815 S1822 H1827 | T1814-L1825 HydrophobicContact CG2-CD2 3.85Å; T1814-L1825 HydrophobicContact CG2-CG 4.23Å; Y1815-L1825 HydrophobicContact CD1-CD1 4.35Å; Y1815-L1825 HydrophobicContact CD1-CD2 4.09Å; Y1815-L1825 HydrophobicContact CD2-CD2 4.05Å; Y1815-L1825 HydrophobicContact CE1-CD2 4Å; Y1815-L1825 HydrophobicContact CE2-CD2 3.96Å; Y1815-L1825 HydrophobicContact CG-CD2 4.11Å; S1822-L1825 PolarHBondContact O-N 3.47Å; S1822-L1825 PolarHBondContact OG-N 2.8Å; L1825-H1827 PolarHBondContact O-N 2.83Å |
| 1826 | S | 87.7 | Confident | 85.9 | Confident | 27 Ų | 27 | 57.5 Ų | 57.5 | 19% | 0.189 | 28% | 0.283 | C | S | . | . | trans | -65.7 | 122.5 | 174.7 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | S1822 D1828 R1830 | S1822-S1826 VanDerWaalsContact O-CB 3.3Å; S1822-S1826 WeakPolarHBondContact O-CB 3.37Å; S1822-S1826 PolarHBondContact O-N 3.38Å; S1826-D1828 PolarHBondContact O-N 2.95Å; S1826-R1830 VanDerWaalsContact O-CB 3.23Å; S1826-R1830 WeakPolarHBondContact O-CB 3.47Å; S1826-R1830 PolarHBondContact O-N 3.09Å | ||
| 1827 | H | 86 | Confident | 86 | Confident | 111 Ų | 111 | 51.8 Ų | 51.8 | 51% | 0.514 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | -178.9 | 174.7 | -87.6 | 0 | 0 | 0 | 112.2 | L1825 R1830 K1831 | L1825-H1827 PolarHBondContact O-N 2.83Å; H1827-R1830 PolarHBondContact O-N 2.74Å; H1827-K1831 WeakPolarHBondContact O-CB 3.19Å; H1827-K1831 PolarHBondContact O-N 3.05Å |
| 1828 | D | 84.9 | Confident | 86 | Confident | 106 Ų | 106 | 53.8 Ų | 53.8 | 57% | 0.567 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -77.9 | -40.1 | -169.2 | -44.8 | -46.1 | 0 | 0 | 0 | 111 | S1826 K1831 I1832 | S1826-D1828 PolarHBondContact O-N 2.95Å; D1828-K1831 PolarHBondContact O-N 2.87Å; D1828-I1832 WeakPolarHBondContact O-CB 3.4Å; D1828-I1832 WeakPolarHBondContact O-CD1 3.16Å; D1828-I1832 VanDerWaalsContact O-CG1 3.23Å; D1828-I1832 WeakPolarHBondContact O-CG1 3.44Å; D1828-I1832 PolarHBondContact O-N 2.86Å |
| 1829 | L | 86.1 | Confident | 85.9 | Confident | 37 Ų | 37 | 55.7 Ų | 55.7 | 19% | 0.194 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 171.7 | -66.7 | -179.7 | 0 | 0 | 0 | 112 | R1821 F1823 I1833 | R1821-L1829 WeakPolarHBondContact O-CD1 3.46Å; F1823-L1829 HydrophobicContact CD1-CB 3.68Å; F1823-L1829 HydrophobicContact CE1-CB 4.09Å; F1823-L1829 HydrophobicContact CE1-CD2 4.15Å; F1823-L1829 HydrophobicContact CG-CB 4.29Å; L1829-I1833 WeakPolarHBondContact O-CG1 3.23Å; L1829-I1833 PolarHBondContact O-N 2.99Å |
| 1830 | R | 90.3 | Very high | 85.7 | Confident | 35 Ų | 35 | 51 Ų | 51 | 13% | 0.132 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 174.9 | -168.8 | 176.6 | 55.3 | -102.5 | -7.2 | 110.9 | L1805 F1823 L1824 S1826 H1827 I1832 I1833 Q1834 | L1805-R1830 HydrophobicContact CB-CG 4.25Å; L1805-R1830 WeakPolarHBondContact O-CD 3.23Å; F1823-R1830 VanDerWaalsContact O-CA 3.26Å; F1823-R1830 WeakPolarHBondContact O-CA 3.46Å; F1823-R1830 WeakPolarHBondContact O-CB 3.44Å; F1823-R1830 PolarHBondContact O-N 3.46Å; L1824-R1830 PolarHBondContact O-NH1 2.98Å; S1826-R1830 VanDerWaalsContact O-CB 3.23Å; S1826-R1830 WeakPolarHBondContact O-CB 3.47Å; S1826-R1830 PolarHBondContact O-N 3.09Å; H1827-R1830 PolarHBondContact O-N 2.74Å; R1830-I1832 PolarHBondContact O-N 3Å; R1830-I1833 PolarHBondContact O-N 3.06Å; R1830-Q1834 HydrophobicContact CG-CG 4.49Å; R1830-Q1834 WeakPolarHBondContact O-CG 3.43Å; R1830-Q1834 PolarHBondContact O-N 3.14Å |
| 1831 | K | 86.5 | Confident | 85.6 | Confident | 104 Ų | 104 | 48.9 Ų | 48.9 | 45% | 0.452 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.6 | -43.8 | -179.5 | -175.1 | 176.3 | 176.6 | -172.2 | 0 | 111.8 | H1827 D1828 I1833 Q1834 D1835 | H1827-K1831 WeakPolarHBondContact O-CB 3.19Å; H1827-K1831 PolarHBondContact O-N 3.05Å; D1828-K1831 PolarHBondContact O-N 2.87Å; K1831-I1833 VanDerWaalsContact C-N 3.28Å; K1831-I1833 PolarHBondContact O-N 3Å; K1831-Q1834 CarbonylContact O-C 3.6Å; K1831-Q1834 PolarHBondContact O-N 3.11Å; K1831-D1835 WeakPolarHBondContact CE-OD1 3.3Å; K1831-D1835 WeakPolarHBondContact CE-OD2 3.38Å; K1831-D1835 WeakPolarHBondContact O-CB 3.26Å; K1831-D1835 VanDerWaalsContact O-CG 3.31Å; K1831-D1835 PolarHBondContact O-N 2.82Å |
| 1832 | I | 86 | Confident | 85.2 | Confident | 69 Ų | 69 | 47.6 Ų | 47.6 | 35% | 0.354 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.3 | -41.3 | 176.9 | -72.2 | 163.5 | 0 | 0 | 0 | 111.7 | H1536 D1828 R1830 L1836 | H1536-I1832 WeakPolarHBondContact CD2-CG2 3.27Å; H1536-I1832 WeakPolarHBondContact NE2-CG2 3.49Å; D1828-I1832 WeakPolarHBondContact O-CB 3.4Å; D1828-I1832 WeakPolarHBondContact O-CD1 3.16Å; D1828-I1832 VanDerWaalsContact O-CG1 3.23Å; D1828-I1832 WeakPolarHBondContact O-CG1 3.44Å; D1828-I1832 PolarHBondContact O-N 2.86Å; R1830-I1832 PolarHBondContact O-N 3Å; I1832-L1836 WeakPolarHBondContact O-CB 3.44Å; I1832-L1836 PolarHBondContact O-N 3.07Å; I1832-L1836 VanDerWaalsContact O-N 3.14Å |
| 1833 | I | 88.4 | Confident | 84.4 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.7 | -36.9 | 175.3 | -63 | -65.2 | 0 | 0 | 0 | 111.6 | V1539 V1580 L1805 F1823 L1829 R1830 K1831 L1836 L1837 | V1539-I1833 HydrophobicContact CB-CD1 4.14Å; V1539-I1833 HydrophobicContact CG1-CD1 3.99Å; V1539-I1833 HydrophobicContact CG2-CD1 4.15Å; V1580-I1833 HydrophobicContact CG1-CG1 4.41Å; V1580-I1833 HydrophobicContact CG2-CD1 4.07Å; L1805-I1833 HydrophobicContact CD1-CG2 3.91Å; F1823-I1833 HydrophobicContact CD1-CD1 4.2Å; F1823-I1833 HydrophobicContact CD1-CG1 3.53Å; F1823-I1833 HydrophobicContact CE1-CD1 3.99Å; F1823-I1833 HydrophobicContact CE1-CG1 3.79Å; L1829-I1833 WeakPolarHBondContact O-CG1 3.23Å; L1829-I1833 PolarHBondContact O-N 2.99Å; R1830-I1833 PolarHBondContact O-N 3.06Å; K1831-I1833 VanDerWaalsContact C-N 3.28Å; K1831-I1833 PolarHBondContact O-N 3Å; I1833-L1836 PolarHBondContact O-N 3.19Å; I1833-L1837 HydrophobicContact CG2-CD1 4.03Å; I1833-L1837 HydrophobicContact CG2-CG 4.34Å; I1833-L1837 WeakPolarHBondContact O-CB 3.24Å; I1833-L1837 VanDerWaalsContact O-CG 3.29Å; I1833-L1837 WeakPolarHBondContact O-CG 3.47Å; I1833-L1837 PolarHBondContact O-N 2.69Å |
| 1834 | Q | 88.9 | Confident | 83.6 | Confident | 24 Ų | 24 | 55.6 Ų | 55.6 | 11% | 0.112 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 175.7 | -72 | 175.3 | -62.1 | 0 | 0 | 112 | S1802 L1805 S1806 R1830 K1831 L1836 L1837 T1838 | S1802-Q1834 PolarHBondContact O-NE2 3.25Å; L1805-Q1834 HydrophobicContact CB-CG 4.11Å; L1805-Q1834 HydrophobicContact CD1-CG 3.85Å; S1806-Q1834 PolarHBondContact OG-NE2 3.07Å; R1830-Q1834 HydrophobicContact CG-CG 4.49Å; R1830-Q1834 WeakPolarHBondContact O-CG 3.43Å; R1830-Q1834 PolarHBondContact O-N 3.14Å; K1831-Q1834 CarbonylContact O-C 3.6Å; K1831-Q1834 PolarHBondContact O-N 3.11Å; Q1834-L1836 VanDerWaalsContact C-N 3.25Å; Q1834-L1836 PolarHBondContact O-N 3.32Å; Q1834-L1837 PolarHBondContact O-N 3.35Å; Q1834-L1837 VanDerWaalsContact O-N 3.08Å; Q1834-T1838 PolarHBondContact O-N 3.02Å; Q1834-T1838 PolarHBondContact O-OG1 3.19Å |
| 1835 | D | 85.4 | Confident | 82.9 | Confident | 89 Ų | 89 | 55.7 Ų | 55.7 | 48% | 0.476 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.3 | -33.2 | 177 | -65.6 | -16.2 | 0 | 0 | 0 | 111.5 | K1831 T1838 | K1831-D1835 WeakPolarHBondContact CE-OD1 3.3Å; K1831-D1835 WeakPolarHBondContact CE-OD2 3.38Å; K1831-D1835 WeakPolarHBondContact O-CB 3.26Å; K1831-D1835 VanDerWaalsContact O-CG 3.31Å; K1831-D1835 PolarHBondContact O-N 2.82Å; D1835-T1838 PolarHBondContact O-OG1 3.37Å |
| 1836 | L | 87 | Confident | 81.9 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.4 | -41.7 | 171.1 | -94.6 | 166.9 | 0 | 0 | 0 | 112.7 | H1536 V1539 A1540 V1543 I1832 I1833 Q1834 S1839 | H1536-L1836 WeakPolarHBondContact NE2-CD1 3.36Å; V1539-L1836 HydrophobicContact CG1-CD1 4.32Å; A1540-L1836 HydrophobicContact CB-CD1 4.06Å; A1540-L1836 HydrophobicContact CB-CD2 4.36Å; V1543-L1836 HydrophobicContact CB-CD2 4.12Å; V1543-L1836 HydrophobicContact CG1-CD2 3.96Å; V1543-L1836 HydrophobicContact CG2-CD2 4.42Å; I1832-L1836 WeakPolarHBondContact O-CB 3.44Å; I1832-L1836 PolarHBondContact O-N 3.07Å; I1832-L1836 VanDerWaalsContact O-N 3.14Å; I1833-L1836 PolarHBondContact O-N 3.19Å; Q1834-L1836 VanDerWaalsContact C-N 3.25Å; Q1834-L1836 PolarHBondContact O-N 3.32Å; L1836-S1839 PolarHBondContact O-N 3.35Å; L1836-S1839 PolarHBondContact O-OG 2.71Å |
| 1837 | L | 85.7 | Confident | 81 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72 | -38 | -178.9 | -73.6 | 179 | 0 | 0 | 0 | 112.4 | L1573 L1577 L1796 L1801 L1805 I1833 Q1834 S1839 L1840 | L1573-L1837 HydrophobicContact CD2-CD2 4.47Å; L1577-L1837 HydrophobicContact CD2-CD1 4.37Å; L1577-L1837 HydrophobicContact CD2-CD2 4.48Å; L1796-L1837 HydrophobicContact CD2-CD2 3.81Å; L1801-L1837 HydrophobicContact CB-CD1 4.5Å; L1801-L1837 HydrophobicContact CD2-CD1 3.94Å; L1801-L1837 HydrophobicContact CG-CD1 4.07Å; L1805-L1837 HydrophobicContact CD1-CD1 3.95Å; I1833-L1837 HydrophobicContact CG2-CD1 4.03Å; I1833-L1837 HydrophobicContact CG2-CG 4.34Å; I1833-L1837 WeakPolarHBondContact O-CB 3.24Å; I1833-L1837 VanDerWaalsContact O-CG 3.29Å; I1833-L1837 WeakPolarHBondContact O-CG 3.47Å; I1833-L1837 PolarHBondContact O-N 2.69Å; Q1834-L1837 PolarHBondContact O-N 3.35Å; Q1834-L1837 VanDerWaalsContact O-N 3.08Å; L1837-S1839 PolarHBondContact O-N 3.15Å; L1837-L1840 WeakPolarHBondContact O-CB 3.31Å; L1837-L1840 PolarHBondContact O-N 3.29Å |
| 1838 | T | 85.2 | Confident | 80 | Confident | 66 Ų | 66 | 56 Ų | 56 | 41% | 0.405 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.5 | -21.1 | 176.1 | 49.8 | 0 | 0 | 0 | 0 | 113.4 | S1802 Q1834 D1835 L1840 D1841 | S1802-T1838 WeakPolarHBondContact OG-CG2 3.46Å; Q1834-T1838 PolarHBondContact O-N 3.02Å; Q1834-T1838 PolarHBondContact O-OG1 3.19Å; D1835-T1838 PolarHBondContact O-OG1 3.37Å; T1838-L1840 PolarHBondContact O-N 3.33Å; T1838-D1841 WeakPolarHBondContact CA-OD2 3.1Å; T1838-D1841 PolarHBondContact O-N 2.87Å; T1838-D1841 VanDerWaalsContact O-N 3.09Å |
| 1839 | S | 83.2 | Confident | 79.2 | Confident | 40 Ų | 40 | 55.5 Ų | 55.5 | 28% | 0.28 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -17.8 | 170.1 | 78.6 | 0 | 0 | 0 | 0 | 113.8 | L1547 L1836 L1837 F1843 | L1547-S1839 WeakPolarHBondContact CD2-O 3.29Å; L1836-S1839 PolarHBondContact O-N 3.35Å; L1836-S1839 PolarHBondContact O-OG 2.71Å; L1837-S1839 PolarHBondContact O-N 3.15Å; S1839-F1843 WeakPolarHBondContact O-CE2 3.3Å |
| 1840 | L | 80.8 | Confident | 78.2 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -12.4 | 173 | -63 | 174.9 | 0 | 0 | 0 | 113 | V1543 L1546 L1547 W1567 L1573 L1837 T1838 E1842 F1843 | V1543-L1840 HydrophobicContact CG1-CD1 4.44Å; V1543-L1840 HydrophobicContact CG1-CD2 4.22Å; V1543-L1840 HydrophobicContact CG1-CG 4.18Å; V1543-L1840 HydrophobicContact CG2-CD1 4.22Å; L1546-L1840 HydrophobicContact CB-CD2 4.15Å; L1547-L1840 HydrophobicContact CD2-CD2 3.99Å; L1547-L1840 HydrophobicContact CG-CD2 4.17Å; W1567-L1840 HydrophobicContact CH2-CD1 4.28Å; L1573-L1840 HydrophobicContact CD2-CD1 3.54Å; L1837-L1840 WeakPolarHBondContact O-CB 3.31Å; L1837-L1840 PolarHBondContact O-N 3.29Å; T1838-L1840 PolarHBondContact O-N 3.33Å; L1840-E1842 PolarHBondContact O-N 3.08Å; L1840-F1843 PolarHBondContact O-N 3.31Å; L1840-F1843 VanDerWaalsContact O-N 3.12Å |
| 1841 | D | 79.9 | Confident | 77.2 | Confident | 55 Ų | 55 | 52.3 Ų | 52.3 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -3.7 | -173.6 | -63.3 | -23.7 | 0 | 0 | 0 | 113.9 | H1799 T1838 | H1799-D1841 HydrophobicContact CB-CB 4.35Å; H1799-D1841 WeakPolarHBondContact CB-OD1 3.29Å; H1799-D1841 IonicContact CE1-OD1 3.37Å; H1799-D1841 IonicContact CG-OD1 2.81Å; H1799-D1841 WeakPolarHBondContact ND1-CA 3.49Å; H1799-D1841 IonicContact ND1-OD1 3.2Å; H1799-D1841 PolarHBondContact ND1-OD1 2.89Å; T1838-D1841 WeakPolarHBondContact CA-OD2 3.1Å; T1838-D1841 PolarHBondContact O-N 2.87Å; T1838-D1841 VanDerWaalsContact O-N 3.09Å |
| 1842 | E | 72.9 | Confident | 76.4 | Confident | 170 Ų | 170 | 48.8 Ų | 48.8 | 79% | 0.794 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -9.8 | 168.3 | -59.9 | -168.1 | 161.3 | 0 | 0 | 113.4 | L1840 | L1840-E1842 PolarHBondContact O-N 3.08Š|
| 1843 | F | 70.6 | Confident | 75.1 | Confident | 30 Ų | 30 | 46.7 Ų | 46.7 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -118.6 | 128.2 | -168.9 | -57.2 | -75.1 | 0 | 0 | 0 | 112.9 | L1547 F1550 H1799 S1839 L1840 L1845 | L1547-F1843 HydrophobicContact CD2-CD2 4.1Å; L1547-F1843 HydrophobicContact CD2-CE2 3.48Å; L1547-F1843 VanDerWaalsContact CD2-CE2 3.48Å; L1547-F1843 HydrophobicContact CD2-CZ 4.26Å; F1550-F1843 HydrophobicContact CB-CB 4.05Å; F1550-F1843 HydrophobicContact CB-CD1 3.45Å; F1550-F1843 VanDerWaalsContact CB-CD1 3.45Å; F1550-F1843 HydrophobicContact CB-CD2 4.31Å; F1550-F1843 HydrophobicContact CB-CE1 3.9Å; F1550-F1843 HydrophobicContact CB-CG 3.65Å; F1550-F1843 HydrophobicContact CD1-CB 4.11Å; F1550-F1843 HydrophobicContact CD2-CB 4.29Å; F1550-F1843 HydrophobicContact CG-CB 3.89Å; F1550-F1843 HydrophobicContact CG-CD1 4.22Å; F1550-F1843 HydrophobicContact CG-CG 4.05Å; H1799-F1843 PolarHBondContact CE1-O 3.09Å; H1799-F1843 VanDerWaalsContact CE1-O 3.24Å; H1799-F1843 PolarHBondContact NE2-O 2.86Å; S1839-F1843 WeakPolarHBondContact O-CE2 3.3Å; L1840-F1843 PolarHBondContact O-N 3.31Å; L1840-F1843 VanDerWaalsContact O-N 3.12Å; F1843-L1845 HydrophobicContact CB-CD2 4.1Å; F1843-L1845 WeakPolarHBondContact O-CD2 3.42Å; F1843-L1845 VanDerWaalsContact O-CG 3.27Å; F1843-L1845 WeakPolarHBondContact O-CG 3.47Å; F1843-L1845 PolarHBondContact O-N 2.83Å |
| 1844 | N | 67.8 | Low | 73 | Confident | 142 Ų | 142 | 51.4 Ų | 51.4 | 76% | 0.759 | 29% | 0.293 | S | S | * | . | trans | -80.5 | 108.7 | -176.4 | -165.5 | -16 | 0 | 0 | 0 | 111.5 | T1846 | N1844-T1846 PolarHBondContact O-N 3.03Š| ||
| 1845 | L | 71.2 | Confident | 70.3 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | trans | -90.5 | 109.9 | -163.1 | -48.3 | -178.5 | 0 | 0 | 0 | 112.9 | F1550 W1567 L1796 F1843 F1847 | F1550-L1845 HydrophobicContact CD2-CD2 4.35Å; F1550-L1845 HydrophobicContact CE1-CD2 4.08Å; F1550-L1845 HydrophobicContact CE2-CD2 3.65Å; F1550-L1845 HydrophobicContact CZ-CD2 3.5Å; F1550-L1845 VanDerWaalsContact CZ-CD2 3.5Å; W1567-L1845 HydrophobicContact CH2-CD1 3.46Å; W1567-L1845 VanDerWaalsContact CH2-CD1 3.46Å; W1567-L1845 HydrophobicContact CH2-CD2 4.21Å; W1567-L1845 HydrophobicContact CH2-CG 4.36Å; W1567-L1845 HydrophobicContact CZ2-CB 4.46Å; W1567-L1845 HydrophobicContact CZ2-CD1 3.84Å; W1567-L1845 HydrophobicContact CZ2-CD2 3.88Å; W1567-L1845 HydrophobicContact CZ2-CG 4.28Å; W1567-L1845 HydrophobicContact CZ3-CD1 4.33Å; L1796-L1845 HydrophobicContact CB-CD1 4.2Å; L1796-L1845 WeakPolarHBondContact O-CD1 3.34Å; F1843-L1845 HydrophobicContact CB-CD2 4.1Å; F1843-L1845 WeakPolarHBondContact O-CD2 3.42Å; F1843-L1845 VanDerWaalsContact O-CG 3.27Å; F1843-L1845 WeakPolarHBondContact O-CG 3.47Å; F1843-L1845 PolarHBondContact O-N 2.83Å; L1845-F1847 HydrophobicContact CB-CD2 4.4Å; L1845-F1847 HydrophobicContact CB-CE2 3.74Å; L1845-F1847 HydrophobicContact CB-CZ 4.5Å; L1845-F1847 HydrophobicContact CD1-CE2 4.46Å | ||
| 1846 | T | 65.9 | Low | 67.7 | Low | 103 Ų | 103 | 61.7 Ų | 61.7 | 63% | 0.632 | 35% | 0.347 | S | S | * | . | trans | -93.3 | 124.6 | 176.6 | 48.8 | 0 | 0 | 0 | 0 | 111.9 | L1563 N1844 | L1563-T1846 WeakPolarHBondContact CD2-O 3.33Å; N1844-T1846 PolarHBondContact O-N 3.03Å | ||
| 1847 | F | 67.9 | Low | 66.7 | Low | 24 Ų | 24 | 63.2 Ų | 63.2 | 11% | 0.105 | 36% | 0.356 | C | S | . | . | trans | -115.1 | 151.9 | 177.3 | -67.7 | -93.5 | 0 | 0 | 0 | 110.7 | W1567 C1793 R1797 L1845 L1851 L1852 | W1567-F1847 HydrophobicContact CB-CE1 4.1Å; W1567-F1847 AromaticContact CD1-CE1 3.95Å; W1567-F1847 AromaticContact CD2-CE1 3.5Å; W1567-F1847 HydrophobicContact CD2-CE1 3.5Å; W1567-F1847 VanDerWaalsContact CD2-CE1 3.5Å; W1567-F1847 AromaticContact CD2-CZ 3.63Å; W1567-F1847 HydrophobicContact CD2-CZ 3.63Å; W1567-F1847 AromaticContact CE2-CZ 3.84Å; W1567-F1847 AromaticContact CE3-CE1 3.78Å; W1567-F1847 HydrophobicContact CE3-CE1 3.78Å; W1567-F1847 AromaticContact CE3-CZ 3.66Å; W1567-F1847 HydrophobicContact CE3-CZ 3.66Å; W1567-F1847 HydrophobicContact CG-CD1 4.37Å; W1567-F1847 AromaticContact CG-CE1 3.58Å; W1567-F1847 HydrophobicContact CG-CE1 3.58Å; W1567-F1847 HydrophobicContact CG-CZ 4.21Å; W1567-F1847 HydrophobicContact CH2-CZ 4.25Å; W1567-F1847 HydrophobicContact CZ2-CZ 4.19Å; W1567-F1847 AromaticContact CZ3-CZ 3.94Å; W1567-F1847 HydrophobicContact CZ3-CZ 3.94Å; C1793-F1847 HydrophobicContact CB-CD1 4.12Å; C1793-F1847 HydrophobicContact CB-CE1 3.97Å; C1793-F1847 HydrophobicContact CB-CZ 4.34Å; R1797-F1847 HydrophobicContact CB-CD2 4.03Å; R1797-F1847 HydrophobicContact CB-CE2 3.78Å; R1797-F1847 HydrophobicContact CG-CD2 4.28Å; R1797-F1847 HydrophobicContact CG-CE2 4.42Å; L1845-F1847 HydrophobicContact CB-CD2 4.4Å; L1845-F1847 HydrophobicContact CB-CE2 3.74Å; L1845-F1847 HydrophobicContact CB-CZ 4.5Å; L1845-F1847 HydrophobicContact CD1-CE2 4.46Å; F1847-L1851 HydrophobicContact CD1-CD1 4.09Å; F1847-L1852 HydrophobicContact CB-CD1 4.03Å; F1847-L1852 HydrophobicContact CB-CD2 4.29Å; F1847-L1852 HydrophobicContact CB-CG 3.98Å | ||
| 1848 | E | 66 | Low | 65.7 | Low | 42 Ų | 42 | 66.5 Ų | 66.5 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | trans | -64.1 | 142 | 173.3 | -73.3 | -173 | 140.1 | 0 | 0 | 111.6 | S1426 T1427 T1564 A1850 L1851 | S1426-E1848 VanDerWaalsContact CB-OE1 3.23Å; S1426-E1848 WeakPolarHBondContact CB-OE1 3.31Å; S1426-E1848 PolarHBondContact OG-OE1 3.44Å; S1426-E1848 PolarHBondContact OG-OE2 3Å; T1427-E1848 WeakPolarHBondContact CG2-OE2 3.41Å; T1427-E1848 PolarHBondContact OG1-OE2 3Å; T1564-E1848 PolarHBondContact OG1-OE2 3.36Å; E1848-A1850 PolarHBondContact O-N 3.07Å; E1848-L1851 PolarHBondContact O-N 3.08Å | ||
| 1849 | P | 67.4 | Low | 64.6 | Low | 95 Ų | 95 | 66.5 Ų | 66.5 | 62% | 0.617 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -56.3 | -22.1 | 176.4 | -27.1 | 35 | 0 | 0 | 0 | 114.5 | L1851 G1853 | P1849-L1851 VanDerWaalsContact C-N 3.34Å; P1849-L1851 PolarHBondContact O-N 3.5Å; P1849-G1853 CarbonylContact O-C 3.58Å; P1849-G1853 VanDerWaalsContact O-C 3.28Å; P1849-G1853 VanDerWaalsContact O-CA 3.28Å; P1849-G1853 WeakPolarHBondContact O-CA 3.13Å; P1849-G1853 PolarHBondContact O-N 2.95Å |
| 1850 | A | 65.8 | Low | 63.5 | Low | 2 Ų | 2 | 68.1 Ų | 68.1 | 2% | 0.017 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1397 Q1429 I1477 E1848 | H1397-A1850 VanDerWaalsContact NE2-CB 3.31Å; H1397-A1850 WeakPolarHBondContact NE2-CB 3.39Å; Q1429-A1850 PolarHBondContact NE2-O 2.81Å; I1477-A1850 WeakPolarHBondContact CD1-O 3.45Å; E1848-A1850 PolarHBondContact O-N 3.07Å |
| 1851 | L | 69.7 | Low | 62.5 | Low | 4 Ų | 4 | 72.3 Ų | 72.3 | 2% | 0.021 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -73.3 | -53.3 | -177.8 | -69.6 | 168 | 0 | 0 | 0 | 111.5 | I1477 T1564 R1790 F1847 E1848 P1849 G1853 | I1477-L1851 HydrophobicContact CD1-CD2 4.17Å; I1477-L1851 HydrophobicContact CG2-CD2 4.26Å; T1564-L1851 HydrophobicContact CG2-CD1 3.87Å; R1790-L1851 PolarHBondContact NE-O 3.19Å; R1790-L1851 PolarHBondContact NH2-O 3.24Å; F1847-L1851 HydrophobicContact CD1-CD1 4.09Å; E1848-L1851 PolarHBondContact O-N 3.08Å; P1849-L1851 VanDerWaalsContact C-N 3.34Å; P1849-L1851 PolarHBondContact O-N 3.5Å; L1851-G1853 VanDerWaalsContact C-N 3.31Å; L1851-G1853 PolarHBondContact O-N 3.42Å |
| 1852 | L | 69.2 | Low | 61.3 | Low | 30 Ų | 30 | 73.4 Ų | 73.4 | 16% | 0.157 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.2 | -34.4 | -179.5 | -61 | 173.8 | 0 | 0 | 0 | 111.8 | R1790 C1793 F1847 | R1790-L1852 PolarHBondContact NE-O 3.25Å; C1793-L1852 HydrophobicContact CB-CD2 4.46Å; F1847-L1852 HydrophobicContact CB-CD1 4.03Å; F1847-L1852 HydrophobicContact CB-CD2 4.29Å; F1847-L1852 HydrophobicContact CB-CG 3.98Å |
| 1853 | G | 58.8 | Low | 60.5 | Low | 25 Ų | 25 | 66.5 Ų | 66.5 | 26% | 0.258 | 38% | 0.381 | S | S | . | . | trans | 98.9 | 152.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P1849 L1851 | P1849-G1853 CarbonylContact O-C 3.58Å; P1849-G1853 VanDerWaalsContact O-C 3.28Å; P1849-G1853 VanDerWaalsContact O-CA 3.28Å; P1849-G1853 WeakPolarHBondContact O-CA 3.13Å; P1849-G1853 PolarHBondContact O-N 2.95Å; L1851-G1853 VanDerWaalsContact C-N 3.31Å; L1851-G1853 PolarHBondContact O-N 3.42Å | ||
| 1854 | S | 43.4 | Very low | 59.7 | Low | 101 Ų | 101 | 69.3 Ų | 69.3 | 71% | 0.706 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -74.4 | 141.9 | 164.6 | 46.8 | 0 | 0 | 0 | 0 | 109.7 | ||
| 1855 | D | 32.5 | Very low | 59 | Low | 150 Ų | 150 | 63.3 Ų | 63.3 | 80% | 0.802 | 37% | 0.371 | S | S | * | . | trans | 74.3 | 80.2 | 167.6 | -44.6 | -30.4 | 0 | 0 | 0 | 116.5 | ||||
| 1856 | I | 30.6 | Very low | 57.9 | Low | 179 Ų | 179 | 68.6 Ų | 68.6 | 92% | 0.918 | 40% | 0.403 | S | S | * | . | trans | -130.3 | 0 | 139.6 | -57.8 | 179.7 | 0 | 0 | 0 | 107 | N1774 | N1774-I1856 WeakPolarHBondContact ND2-CD1 3.44Š|
Retrieved 1,856 of 1,856 residues in 3626 ms
(Link to these results)