| 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 | 71.5 | Confident | 89.3 | Confident | 131 Ų | 131 | 45.8 Ų | 45.8 | 65% | 0.645 | 24% | 0.237 | S | C | * | . | 0 | 178.3 | 0 | -61.7 | -73.5 | -88.6 | 0 | 0 | 106.6 | D169 S170 | M1-D169 HydrophobicContact CB-CB 4.46Å; M1-D169 WeakPolarHBondContact CB-OD1 3.37Å; M1-D169 WeakPolarHBondContact CB-OD2 3.47Å; M1-D169 VanDerWaalsContact O-OD1 3.05Å; M1-S170 PolarHBondContact O-OG 3.19Å | |||
| 2 | G | 84.1 | Confident | 89.6 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | trans | 57.4 | -149.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R4 D169 D171 | G2-R4 PolarHBondContact O-N 2.86Å; G2-R4 VanDerWaalsContact O-N 3.13Å; G2-D169 VanDerWaalsContact CA-OD1 3.31Å; G2-D169 WeakPolarHBondContact CA-OD1 3.42Å; G2-D169 PolarHBondContact N-OD1 2.93Å; G2-D171 WeakPolarHBondContact CA-OD2 3.32Å | ||
| 3 | V | 90.7 | Very high | 89.9 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -44 | 112.1 | -178.7 | -162.8 | 0 | 0 | 0 | 0 | 114.5 | G5 L6 S170 D171 I174 A239 L242 | V3-G5 PolarHBondContact O-N 3.21Å; V3-L6 HydrophobicContact CB-CB 3.82Å; V3-L6 HydrophobicContact CB-CD2 3.91Å; V3-L6 HydrophobicContact CG1-CB 3.91Å; V3-L6 HydrophobicContact CG1-CD2 4.18Å; V3-L6 HydrophobicContact CG2-CD2 3.97Å; V3-L6 PolarHBondContact O-N 3.49Å; V3-L6 VanDerWaalsContact O-N 3.15Å; V3-S170 PolarHBondContact N-OG 3.41Å; V3-S170 PolarHBondContact O-OG 3.05Å; V3-D171 WeakPolarHBondContact CG2-OD1 3.46Å; V3-I174 HydrophobicContact CG2-CG1 3.93Å; V3-A239 HydrophobicContact CG1-CB 4.45Å; V3-A239 HydrophobicContact CG2-CB 3.61Å; V3-L242 HydrophobicContact CG1-CB 3.8Å; V3-L242 HydrophobicContact CG1-CD1 3.78Å; V3-L242 HydrophobicContact CG1-CG 4.46Å |
| 4 | R | 85.9 | Confident | 90.3 | Very high | 150 Ų | 150 | 49.8 Ų | 49.8 | 57% | 0.566 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 99.7 | -169.8 | 178.7 | 58.9 | 168.7 | 172 | -5.4 | 113 | G2 G243 R279 | G2-R4 PolarHBondContact O-N 2.86Å; G2-R4 VanDerWaalsContact O-N 3.13Å; R4-G243 PolarHBondContact N-O 3.39Å; R4-R279 VanDerWaalsContact O-CZ 3.25Å; R4-R279 PolarHBondContact O-NE 3.46Å; R4-R279 PolarHBondContact O-NH2 2.88Å |
| 5 | G | 88.4 | Confident | 90.7 | Very high | 29 Ų | 29 | 57.7 Ų | 57.7 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | 7.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V3 T8 Y9 | V3-G5 PolarHBondContact O-N 3.21Å; G5-T8 PolarHBondContact O-N 3.44Å; G5-Y9 PolarHBondContact O-N 3.41Å |
| 6 | L | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 177.9 | 179 | 61.3 | 0 | 0 | 0 | 112 | V3 T8 Y9 L10 I174 | V3-L6 HydrophobicContact CB-CB 3.82Å; V3-L6 HydrophobicContact CB-CD2 3.91Å; V3-L6 HydrophobicContact CG1-CB 3.91Å; V3-L6 HydrophobicContact CG1-CD2 4.18Å; V3-L6 HydrophobicContact CG2-CD2 3.97Å; V3-L6 PolarHBondContact O-N 3.49Å; V3-L6 VanDerWaalsContact O-N 3.15Å; L6-T8 PolarHBondContact O-N 3.26Å; L6-Y9 HydrophobicContact CD1-CD1 4.29Å; L6-Y9 WeakPolarHBondContact O-CA 3Å; L6-Y9 WeakPolarHBondContact O-CB 3.33Å; L6-Y9 PolarHBondContact O-N 2.89Å; L6-L10 HydrophobicContact CD1-CD1 4Å; L6-L10 HydrophobicContact CD1-CG 4.08Å; L6-L10 HydrophobicContact CG-CD1 3.98Å; L6-L10 HydrophobicContact CG-CG 4.43Å; L6-L10 PolarHBondContact O-N 3.36Å; L6-I174 HydrophobicContact CD2-CD1 3.65Å; L6-I174 HydrophobicContact CD2-CG1 3.83Å |
| 7 | T | 93.8 | Very high | 91.3 | Very high | 30 Ų | 30 | 51.8 Ų | 51.8 | 18% | 0.184 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54 | -49.3 | 176.6 | -49.7 | 0 | 0 | 0 | 0 | 111.8 | Y9 L10 Q11 S170 Y173 | T7-Y9 VanDerWaalsContact C-N 3.27Å; T7-Y9 PolarHBondContact O-N 2.91Å; T7-L10 PolarHBondContact O-N 3.31Å; T7-Q11 HydrophobicContact CG2-CG 4.1Å; T7-Q11 VanDerWaalsContact O-CB 3.3Å; T7-Q11 WeakPolarHBondContact O-CB 3.49Å; T7-Q11 VanDerWaalsContact O-CG 3.26Å; T7-Q11 WeakPolarHBondContact O-CG 3.25Å; T7-Q11 PolarHBondContact O-N 2.82Å; T7-S170 VanDerWaalsContact OG1-CB 3.25Å; T7-S170 WeakPolarHBondContact OG1-CB 3.39Å; T7-Y173 HydrophobicContact CG2-CE2 4.12Å |
| 8 | T | 92.5 | Very high | 91.6 | Very high | 74 Ų | 74 | 52.6 Ų | 52.6 | 45% | 0.454 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68 | -25.8 | -180 | -42.6 | 0 | 0 | 0 | 0 | 112.9 | G5 L6 S12 L276 | G5-T8 PolarHBondContact O-N 3.44Å; L6-T8 PolarHBondContact O-N 3.26Å; T8-S12 WeakPolarHBondContact O-CB 3.27Å; T8-S12 PolarHBondContact O-N 3.48Å; T8-L276 HydrophobicContact CG2-CD2 3.91Å |
| 9 | Y | 94 | Very high | 91.9 | Very high | 17 Ų | 17 | 56.2 Ų | 56.2 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.2 | -52 | 170.3 | 166.6 | -99.6 | 0 | 0 | 0 | 111.1 | G5 L6 T7 S12 G226 K280 I283 L284 I287 | G5-Y9 PolarHBondContact O-N 3.41Å; L6-Y9 HydrophobicContact CD1-CD1 4.29Å; L6-Y9 WeakPolarHBondContact O-CA 3Å; L6-Y9 WeakPolarHBondContact O-CB 3.33Å; L6-Y9 PolarHBondContact O-N 2.89Å; T7-Y9 VanDerWaalsContact C-N 3.27Å; T7-Y9 PolarHBondContact O-N 2.91Å; Y9-S12 WeakPolarHBondContact O-CB 3.49Å; Y9-S12 PolarHBondContact O-N 2.76Å; Y9-S12 PolarHBondContact O-OG 2.66Å; Y9-G226 WeakPolarHBondContact CE1-O 3.21Å; Y9-G226 PolarHBondContact OH-O 3.44Å; Y9-K280 HydrophobicContact CD2-CB 4.23Å; Y9-K280 HydrophobicContact CD2-CD 4.23Å; Y9-K280 HydrophobicContact CD2-CG 3.82Å; Y9-K280 HydrophobicContact CE2-CG 4.16Å; Y9-I283 HydrophobicContact CD1-CG2 3.56Å; Y9-I283 HydrophobicContact CD2-CB 4.07Å; Y9-I283 HydrophobicContact CD2-CD1 4.48Å; Y9-I283 HydrophobicContact CD2-CG2 3.88Å; Y9-I283 HydrophobicContact CE1-CG2 3.63Å; Y9-I283 HydrophobicContact CE2-CB 4.31Å; Y9-I283 HydrophobicContact CE2-CG2 3.95Å; Y9-I283 HydrophobicContact CG-CB 4.2Å; Y9-I283 HydrophobicContact CG-CD1 4.08Å; Y9-I283 HydrophobicContact CG-CG2 3.69Å; Y9-L284 HydrophobicContact CE2-CB 4.33Å; Y9-I287 HydrophobicContact CE1-CD1 3.89Å |
| 10 | L | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.4 | -44.8 | -177.7 | -64.3 | 174.6 | 0 | 0 | 0 | 112.1 | L6 T7 S12 D13 N16 F17 Y173 F220 L227 | L6-L10 HydrophobicContact CD1-CD1 4Å; L6-L10 HydrophobicContact CD1-CG 4.08Å; L6-L10 HydrophobicContact CG-CD1 3.98Å; L6-L10 HydrophobicContact CG-CG 4.43Å; L6-L10 PolarHBondContact O-N 3.36Å; T7-L10 PolarHBondContact O-N 3.31Å; L10-S12 PolarHBondContact O-N 3.37Å; L10-S12 VanDerWaalsContact O-N 3.14Å; L10-D13 PolarHBondContact O-N 2.8Å; L10-N16 PolarHBondContact O-ND2 3.34Å; L10-F17 HydrophobicContact CB-CZ 4.38Å; L10-Y173 HydrophobicContact CD1-CD1 3.4Å; L10-Y173 VanDerWaalsContact CD1-CD1 3.4Å; L10-Y173 HydrophobicContact CD1-CD2 3.78Å; L10-Y173 HydrophobicContact CD1-CE1 3.86Å; L10-Y173 HydrophobicContact CD1-CE2 4.25Å; L10-Y173 HydrophobicContact CD1-CG 3.37Å; L10-F220 HydrophobicContact CD1-CE2 3.98Å; L10-F220 HydrophobicContact CD1-CZ 4.15Å; L10-F220 HydrophobicContact CD2-CE2 4.4Å; L10-L227 HydrophobicContact CD2-CG 4.18Å |
| 11 | Q | 93.2 | Very high | 92.1 | Very high | 62 Ų | 62 | 58.7 Ų | 58.7 | 29% | 0.29 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -9.9 | 176.5 | -64.6 | -176.4 | -29.5 | 0 | 0 | 113.9 | T7 D13 F17 Y190 | T7-Q11 HydrophobicContact CG2-CG 4.1Å; T7-Q11 VanDerWaalsContact O-CB 3.3Å; T7-Q11 WeakPolarHBondContact O-CB 3.49Å; T7-Q11 VanDerWaalsContact O-CG 3.26Å; T7-Q11 WeakPolarHBondContact O-CG 3.25Å; T7-Q11 PolarHBondContact O-N 2.82Å; Q11-D13 VanDerWaalsContact C-N 3.26Å; Q11-D13 PolarHBondContact O-N 2.98Å; Q11-F17 HydrophobicContact CG-CE2 4.15Å; Q11-F17 HydrophobicContact CG-CZ 4.11Å; Q11-Y190 WeakPolarHBondContact CB-OH 3.33Å; Q11-Y190 HydrophobicContact CG-CE2 4.25Å; Q11-Y190 WeakPolarHBondContact CG-OH 3.44Å; Q11-Y190 PolarHBondContact NE2-OH 3.32Å |
| 12 | S | 92.5 | Very high | 93.3 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 40% | 0.399 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 5.4 | 174.6 | 75.5 | 0 | 0 | 0 | 0 | 114.5 | T8 Y9 L10 K280 | T8-S12 WeakPolarHBondContact O-CB 3.27Å; T8-S12 PolarHBondContact O-N 3.48Å; Y9-S12 WeakPolarHBondContact O-CB 3.49Å; Y9-S12 PolarHBondContact O-N 2.76Å; Y9-S12 PolarHBondContact O-OG 2.66Å; L10-S12 PolarHBondContact O-N 3.37Å; L10-S12 VanDerWaalsContact O-N 3.14Å; S12-K280 PolarHBondContact OG-NZ 3.39Å |
| 13 | D | 94 | Very high | 93.8 | Very high | 33 Ų | 33 | 54.6 Ų | 54.6 | 18% | 0.176 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -142.5 | 105.6 | 168.6 | -175.2 | -15 | 0 | 0 | 0 | 108.7 | L10 Q11 R15 N16 P225 | L10-D13 PolarHBondContact O-N 2.8Å; Q11-D13 VanDerWaalsContact C-N 3.26Å; Q11-D13 PolarHBondContact O-N 2.98Å; D13-R15 PolarHBondContact O-N 3.41Å; D13-R15 VanDerWaalsContact OD1-CB 3.31Å; D13-R15 WeakPolarHBondContact OD1-CB 3.49Å; D13-R15 WeakPolarHBondContact OD1-CG 3.37Å; D13-R15 IonicContact OD1-CZ 3.97Å; D13-R15 PolarHBondContact OD1-N 3.09Å; D13-R15 VanDerWaalsContact OD1-N 3.12Å; D13-R15 IonicContact OD1-NE 2.78Å; D13-R15 PolarHBondContact OD1-NE 3.04Å; D13-R15 IonicContact OD1-NH2 3.7Å; D13-R15 IonicContact OD2-CZ 3.75Å; D13-R15 IonicContact OD2-NE 2.88Å; D13-R15 PolarHBondContact OD2-NE 3.23Å; D13-R15 IonicContact OD2-NH2 3.75Å; D13-R15 PolarHBondContact OD2-NH2 2.91Å; D13-N16 WeakPolarHBondContact O-CB 3.38Å; D13-N16 PolarHBondContact O-N 3.03Å; D13-N16 PolarHBondContact O-ND2 3.31Å; D13-P225 WeakPolarHBondContact OD2-CG 3.3Å |
| 14 | P | 94.5 | Very high | 93.8 | Very high | 103 Ų | 103 | 56 Ų | 56 | 67% | 0.669 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -56.3 | -21.2 | -177.6 | -28.3 | 36.3 | 0 | 0 | 0 | 114.6 | N16 F17 | P14-N16 PolarHBondContact O-N 3.37Å; P14-N16 VanDerWaalsContact O-N 3.14Å; P14-F17 PolarHBondContact O-N 2.92Å; P14-F17 VanDerWaalsContact O-O 3.11Å |
| 15 | R | 96.2 | Very high | 94.2 | Very high | 168 Ų | 168 | 50.8 Ų | 50.8 | 63% | 0.634 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -69.2 | -6.1 | 178.1 | -56.2 | 173.9 | -63.1 | 172.1 | 5.6 | 113.6 | D13 P225 | D13-R15 PolarHBondContact O-N 3.41Å; D13-R15 VanDerWaalsContact OD1-CB 3.31Å; D13-R15 WeakPolarHBondContact OD1-CB 3.49Å; D13-R15 WeakPolarHBondContact OD1-CG 3.37Å; D13-R15 IonicContact OD1-CZ 3.97Å; D13-R15 PolarHBondContact OD1-N 3.09Å; D13-R15 VanDerWaalsContact OD1-N 3.12Å; D13-R15 IonicContact OD1-NE 2.78Å; D13-R15 PolarHBondContact OD1-NE 3.04Å; D13-R15 IonicContact OD1-NH2 3.7Å; D13-R15 IonicContact OD2-CZ 3.75Å; D13-R15 IonicContact OD2-NE 2.88Å; D13-R15 PolarHBondContact OD2-NE 3.23Å; D13-R15 IonicContact OD2-NH2 3.75Å; D13-R15 PolarHBondContact OD2-NH2 2.91Å; R15-P225 HydrophobicContact CB-CG 3.85Å; R15-P225 WeakPolarHBondContact O-CD 3.28Å |
| 16 | N | 95.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.011 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -76.8 | -2.7 | 166.1 | -68.2 | -40.8 | 0 | 0 | 0 | 113.1 | L10 D13 P14 F220 L221 P225 G226 | L10-N16 PolarHBondContact O-ND2 3.34Å; D13-N16 WeakPolarHBondContact O-CB 3.38Å; D13-N16 PolarHBondContact O-N 3.03Å; D13-N16 PolarHBondContact O-ND2 3.31Å; P14-N16 PolarHBondContact O-N 3.37Å; P14-N16 VanDerWaalsContact O-N 3.14Å; N16-F220 HydrophobicContact CB-CE2 4.36Å; N16-F220 VanDerWaalsContact O-CD2 3.25Å; N16-F220 WeakPolarHBondContact O-CD2 3.39Å; N16-L221 PolarHBondContact O-N 3.15Å; N16-P225 VanDerWaalsContact OD1-CD 3.31Å; N16-P225 WeakPolarHBondContact OD1-CD 3.27Å; N16-G226 WeakPolarHBondContact OD1-CA 3.35Å; N16-G226 PolarHBondContact OD1-N 3.48Å |
| 17 | F | 96.6 | Very high | 94.8 | Very high | 14 Ų | 14 | 51.4 Ų | 51.4 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 157.1 | -177.2 | -57.1 | -84.3 | 0 | 0 | 0 | 110.7 | L10 Q11 P14 Y173 P187 Y190 Q218 K219 F220 | L10-F17 HydrophobicContact CB-CZ 4.38Å; Q11-F17 HydrophobicContact CG-CE2 4.15Å; Q11-F17 HydrophobicContact CG-CZ 4.11Å; P14-F17 PolarHBondContact O-N 2.92Å; P14-F17 VanDerWaalsContact O-O 3.11Å; F17-Y173 AromaticContact CE1-CE1 3.9Å; F17-Y173 HydrophobicContact CE1-CE1 3.9Å; F17-Y173 AromaticContact CZ-CE1 3.92Å; F17-Y173 HydrophobicContact CZ-CE1 3.92Å; F17-P187 HydrophobicContact CD1-CG 4.31Å; F17-P187 HydrophobicContact CE1-CG 3.7Å; F17-Y190 HydrophobicContact CD1-CD2 4.12Å; F17-Y190 AromaticContact CD1-CE2 3.93Å; F17-Y190 HydrophobicContact CD1-CE2 3.93Å; F17-Y190 HydrophobicContact CD2-CE2 4.15Å; F17-Y190 HydrophobicContact CE1-CD2 4.26Å; F17-Y190 AromaticContact CE1-CE2 3.9Å; F17-Y190 HydrophobicContact CE1-CE2 3.9Å; F17-Y190 HydrophobicContact CE2-CE2 4.12Å; F17-Y190 HydrophobicContact CG-CE2 4.06Å; F17-Y190 HydrophobicContact CZ-CE2 4Å; F17-Q218 HydrophobicContact CB-CB 4.25Å; F17-K219 CarbonylContact C-O 3.54Å; F17-K219 VanDerWaalsContact CA-O 3.27Å; F17-K219 WeakPolarHBondContact CA-O 3.3Å; F17-F220 HydrophobicContact CD1-CB 4.25Å; F17-F220 HydrophobicContact CD1-CD2 4.31Å; F17-F220 HydrophobicContact CE1-CB 4.05Å; F17-F220 AromaticContact CE1-CD2 3.8Å; F17-F220 HydrophobicContact CE1-CD2 3.8Å; F17-F220 HydrophobicContact CE1-CG 4.38Å; F17-F220 HydrophobicContact CZ-CD2 4.13Å |
| 18 | V | 96.5 | Very high | 95 | Very high | 66 Ų | 66 | 50 Ų | 50 | 40% | 0.4 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 148.2 | 171.7 | 66.9 | 0 | 0 | 0 | 0 | 108.9 | Q218 K219 L221 | V18-Q218 CarbonylContact O-C 3.6Å; V18-Q218 WeakPolarHBondContact O-CA 3.46Å; V18-K219 HydrophobicContact CG1-CB 4Å; V18-K219 HydrophobicContact CG1-CG 4.38Å; V18-K219 PolarHBondContact N-O 3.4Å; V18-K219 PolarHBondContact O-N 2.85Å; V18-L221 HydrophobicContact CB-CD1 4.18Å; V18-L221 HydrophobicContact CB-CD2 4.15Å; V18-L221 HydrophobicContact CB-CG 4.22Å; V18-L221 HydrophobicContact CG1-CD2 3.73Å; V18-L221 HydrophobicContact CG1-CG 4.2Å |
| 19 | E | 96.6 | Very high | 95.3 | Very high | 120 Ų | 120 | 46.5 Ų | 46.5 | 56% | 0.561 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 141.1 | 171.1 | -59.1 | -150.5 | 152.6 | 0 | 0 | 110.6 | K216 | E19-K216 VanDerWaalsContact OE1-CE 3.22Å; E19-K216 WeakPolarHBondContact OE1-CE 3.44Å; E19-K216 IonicContact OE1-NZ 3.27Å; E19-K216 PolarHBondContact OE1-NZ 3.32Å; E19-K216 WeakPolarHBondContact OE2-CE 3.15Å; E19-K216 IonicContact OE2-NZ 2.69Å; E19-K216 PolarHBondContact OE2-NZ 3.47Å |
| 20 | Y | 94.6 | Very high | 95.4 | Very high | 72 Ų | 72 | 46.1 Ų | 46.1 | 28% | 0.282 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 134 | -178.3 | -171.3 | -98.8 | 0 | 0 | 0 | 109.6 | L22 L186 C217 K219 | Y20-L22 HydrophobicContact CD1-CB 4.28Å; Y20-L22 HydrophobicContact CE1-CB 4.25Å; Y20-L22 HydrophobicContact CE1-CD1 3.93Å; Y20-L186 HydrophobicContact CD1-CD1 4.31Å; Y20-L186 HydrophobicContact CD1-CD2 3.99Å; Y20-L186 HydrophobicContact CE1-CD1 4.38Å; Y20-L186 HydrophobicContact CE1-CD2 4.46Å; Y20-L186 HydrophobicContact CG-CD2 4.36Å; Y20-C217 PolarHBondContact N-O 3.36Å; Y20-C217 PolarHBondContact O-N 3.27Å; Y20-C217 PolarHBondContact O-SG 3.33Å; Y20-K219 HydrophobicContact CD2-CB 4.26Å; Y20-K219 HydrophobicContact CD2-CD 4.19Å; Y20-K219 HydrophobicContact CE2-CD 4.45Å; Y20-K219 HydrophobicContact CG-CB 4.15Å |
| 21 | Q | 94.9 | Very high | 95.6 | Very high | 93 Ų | 93 | 46.1 Ų | 46.1 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 108.3 | 175.7 | -61.7 | -170.7 | -1.8 | 0 | 0 | 108.1 | H23 Y214 | Q21-H23 PolarHBondContact O-CD2 3.12Å; Q21-Y214 HydrophobicContact CB-CD2 3.58Å; Q21-Y214 HydrophobicContact CB-CE2 4.17Å; Q21-Y214 HydrophobicContact CB-CG 3.96Å; Q21-Y214 HydrophobicContact CG-CD2 3.57Å; Q21-Y214 HydrophobicContact CG-CE2 3.61Å; Q21-Y214 HydrophobicContact CG-CG 4.22Å |
| 22 | L | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 113.3 | -178.6 | -177 | 66.9 | 0 | 0 | 0 | 109.7 | Y20 T25 V27 I71 P164 I166 L186 Y214 L215 | Y20-L22 HydrophobicContact CD1-CB 4.28Å; Y20-L22 HydrophobicContact CE1-CB 4.25Å; Y20-L22 HydrophobicContact CE1-CD1 3.93Å; L22-T25 HydrophobicContact CD1-CG2 3.56Å; L22-V27 HydrophobicContact CD1-CG1 3.92Å; L22-V27 HydrophobicContact CD2-CG1 4.32Å; L22-I71 HydrophobicContact CB-CD1 4.37Å; L22-I71 HydrophobicContact CD2-CD1 3.8Å; L22-I71 HydrophobicContact CG-CD1 3.63Å; L22-I71 HydrophobicContact CG-CG1 4.15Å; L22-P164 HydrophobicContact CD1-CG 4.2Å; L22-I166 HydrophobicContact CD2-CD1 4.35Å; L22-L186 HydrophobicContact CD1-CD1 3.99Å; L22-L186 HydrophobicContact CD2-CD1 4.06Å; L22-L186 HydrophobicContact CG-CD1 4.5Å; L22-Y214 WeakPolarHBondContact O-CA 3.5Å; L22-L215 HydrophobicContact CB-CB 4.37Å; L22-L215 PolarHBondContact N-O 3.47Å; L22-L215 PolarHBondContact O-N 3.48Å |
| 23 | H | 94.4 | Very high | 95.8 | Very high | 55 Ų | 55 | 43 Ų | 43 | 26% | 0.255 | 21% | 0.214 | S | C | . | . | trans | -154.9 | 166 | 174.6 | 67.8 | 103.6 | 0 | 0 | 0 | 110.9 | Q21 T25 C69 A213 | Q21-H23 PolarHBondContact O-CD2 3.12Å; H23-T25 VanDerWaalsContact C-N 3.33Å; H23-T25 PolarHBondContact O-N 3.42Å; H23-T25 VanDerWaalsContact O-N 3.15Å; H23-C69 VanDerWaalsContact CA-O 3.29Å; H23-C69 WeakPolarHBondContact CA-O 3.37Å; H23-A213 WeakPolarHBondContact CB-O 3.4Å | ||
| 24 | N | 92.2 | Very high | 96 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 17% | 0.171 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 48 | 42.3 | 170.5 | -68 | -30.9 | 0 | 0 | 0 | 115.8 | C69 N70 C202 L204 | N24-C69 PolarHBondContact N-O 2.88Å; N24-N70 WeakPolarHBondContact CA-O 3.28Å; N24-N70 PolarHBondContact N-O 2.95Å; N24-N70 VanDerWaalsContact OD1-CB 3.3Å; N24-N70 WeakPolarHBondContact OD1-CB 3.24Å; N24-N70 PolarHBondContact OD1-ND2 3.1Å; N24-C202 PolarHBondContact ND2-SG 2.89Å; N24-L204 HydrophobicContact CB-CD1 4.15Å |
| 25 | T | 93.9 | Very high | 96.1 | Very high | 39 Ų | 39 | 36.6 Ų | 36.6 | 24% | 0.239 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -149.3 | 156.2 | -175.6 | -163.7 | 0 | 0 | 0 | 0 | 112.6 | L22 H23 V27 N70 I71 N72 P164 | L22-T25 HydrophobicContact CD1-CG2 3.56Å; H23-T25 VanDerWaalsContact C-N 3.33Å; H23-T25 PolarHBondContact O-N 3.42Å; H23-T25 VanDerWaalsContact O-N 3.15Å; T25-V27 HydrophobicContact CG2-CG1 3.97Å; T25-N70 PolarHBondContact N-O 3.12Å; T25-I71 CarbonylContact O-C 3.58Å; T25-I71 VanDerWaalsContact O-CA 3.29Å; T25-I71 WeakPolarHBondContact O-CA 3.47Å; T25-N72 PolarHBondContact O-N 3.36Å; T25-P164 HydrophobicContact CG2-CG 4.29Å |
| 26 | T | 96.2 | Very high | 96 | Very high | 42 Ų | 42 | 31.4 Ų | 31.4 | 26% | 0.258 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 148.2 | 164.5 | -68.2 | 0 | 0 | 0 | 0 | 108.6 | I28 N72 I74 C163 P164 | T26-I28 HydrophobicContact CG2-CD1 4.22Å; T26-N72 CarbonylContact C-O 3.53Å; T26-N72 VanDerWaalsContact CA-O 3.24Å; T26-N72 WeakPolarHBondContact CA-O 3.43Å; T26-N72 PolarHBondContact OG1-ND2 3.47Å; T26-I74 HydrophobicContact CG2-CD1 3.77Å; T26-I74 HydrophobicContact CG2-CG1 4.16Å; T26-C163 VanDerWaalsContact O-CB 3.3Å; T26-C163 WeakPolarHBondContact O-CB 3.28Å; T26-P164 WeakPolarHBondContact O-CD 3.43Å |
| 27 | V | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 138.9 | 172.7 | -63.6 | 0 | 0 | 0 | 0 | 110.2 | L22 T25 I29 I71 N72 P73 I74 P164 I166 | L22-V27 HydrophobicContact CD1-CG1 3.92Å; L22-V27 HydrophobicContact CD2-CG1 4.32Å; T25-V27 HydrophobicContact CG2-CG1 3.97Å; V27-I29 HydrophobicContact CG2-CD1 3.85Å; V27-I29 HydrophobicContact CG2-CG1 3.91Å; V27-I71 HydrophobicContact CB-CG2 4.43Å; V27-I71 HydrophobicContact CG1-CG2 3.93Å; V27-I71 HydrophobicContact CG2-CG2 3.64Å; V27-N72 PolarHBondContact N-O 3.3Å; V27-P73 HydrophobicContact CG2-CB 4.15Å; V27-I74 PolarHBondContact O-N 3.42Å; V27-P164 WeakPolarHBondContact CA-O 3.35Å; V27-P164 HydrophobicContact CG1-CB 4.03Å; V27-P164 HydrophobicContact CG1-CG 4.23Å; V27-I166 HydrophobicContact CB-CD1 3.86Å; V27-I166 HydrophobicContact CB-CG1 4.42Å; V27-I166 HydrophobicContact CG1-CD1 4.13Å; V27-I166 HydrophobicContact CG2-CD1 3.88Å |
| 28 | I | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 126 | 174 | -39 | -56.3 | 0 | 0 | 0 | 108 | T26 I74 V76 V154 L157 L161 P164 V165 I166 | T26-I28 HydrophobicContact CG2-CD1 4.22Å; I28-I74 CarbonylContact C-O 3.51Å; I28-I74 WeakPolarHBondContact CA-O 3.27Å; I28-I74 HydrophobicContact CD1-CB 4.05Å; I28-I74 HydrophobicContact CD1-CD1 4.19Å; I28-V76 HydrophobicContact CG2-CG2 3.66Å; I28-V154 HydrophobicContact CB-CG1 4.18Å; I28-V154 HydrophobicContact CG2-CB 4.34Å; I28-V154 HydrophobicContact CG2-CG1 3.89Å; I28-V154 HydrophobicContact CG2-CG2 4.44Å; I28-L157 HydrophobicContact CD1-CB 4.23Å; I28-L157 HydrophobicContact CG1-CB 4.02Å; I28-L157 HydrophobicContact CG2-CB 4.11Å; I28-L157 HydrophobicContact CG2-CD1 3.99Å; I28-L161 HydrophobicContact CD1-CD1 3.74Å; I28-P164 PolarHBondContact N-O 3.33Å; I28-V165 HydrophobicContact CB-CG1 4.37Å; I28-V165 CarbonylContact O-C 3.48Å; I28-V165 VanDerWaalsContact O-CA 3.3Å; I28-V165 WeakPolarHBondContact O-CA 3.41Å; I28-I166 PolarHBondContact O-N 2.82Å |
| 29 | I | 98.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 128.9 | -172 | -46.9 | -172.3 | 0 | 0 | 0 | 109.7 | V27 G31 F34 P73 I74 F75 V76 I166 | V27-I29 HydrophobicContact CG2-CD1 3.85Å; V27-I29 HydrophobicContact CG2-CG1 3.91Å; I29-G31 PolarHBondContact O-N 3.07Å; I29-G31 VanDerWaalsContact O-N 3.08Å; I29-F34 HydrophobicContact CG2-CB 3.77Å; I29-F34 HydrophobicContact CG2-CD2 3.99Å; I29-F34 HydrophobicContact CG2-CG 4.03Å; I29-P73 HydrophobicContact CD1-CB 3.79Å; I29-I74 PolarHBondContact N-O 3.02Å; I29-F75 HydrophobicContact CB-CD1 3.59Å; I29-F75 HydrophobicContact CB-CE1 3.72Å; I29-F75 HydrophobicContact CB-CG 4.42Å; I29-F75 HydrophobicContact CD1-CD1 4.39Å; I29-F75 HydrophobicContact CD1-CE1 3.72Å; I29-F75 HydrophobicContact CD1-CZ 3.89Å; I29-F75 HydrophobicContact CG1-CD1 4.42Å; I29-F75 HydrophobicContact CG1-CE1 4.22Å; I29-F75 HydrophobicContact CG2-CD1 3.79Å; I29-F75 HydrophobicContact CG2-CE1 3.64Å; I29-F75 CarbonylContact O-C 3.41Å; I29-F75 WeakPolarHBondContact O-CA 3.35Å; I29-V76 PolarHBondContact O-N 2.91Å; I29-I166 HydrophobicContact CB-CB 4.44Å; I29-I166 HydrophobicContact CD1-CD1 4.14Å; I29-I166 HydrophobicContact CG1-CB 4.13Å; I29-I166 HydrophobicContact CG1-CD1 4.13Å; I29-I166 HydrophobicContact CG1-CG1 4.45Å; I29-I166 HydrophobicContact CG2-CB 4.16Å; I29-I166 HydrophobicContact CG2-CG2 4.25Å |
| 30 | D | 97.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 27.2 Ų | 27.2 | 4% | 0.043 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 104.4 | 164.1 | 168.8 | -9.1 | 0 | 0 | 0 | 109 | N33 F34 I166 S167 F172 | D30-N33 HydrophobicContact CB-CB 4.1Å; D30-N33 WeakPolarHBondContact OD1-CB 3.35Å; D30-N33 PolarHBondContact OD1-N 3.4Å; D30-N33 WeakPolarHBondContact OD2-CB 3.45Å; D30-N33 PolarHBondContact OD2-ND2 3.2Å; D30-F34 WeakPolarHBondContact O-CB 3.35Å; D30-F34 PolarHBondContact O-N 2.9Å; D30-I166 PolarHBondContact N-O 2.76Å; D30-S167 WeakPolarHBondContact OD2-CB 3.23Å; D30-S167 PolarHBondContact OD2-OG 3.21Å; D30-F172 HydrophobicContact CB-CZ 4.34Å |
| 31 | G | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -73.8 | -34.7 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I29 L35 V76 | I29-G31 PolarHBondContact O-N 3.07Å; I29-G31 VanDerWaalsContact O-N 3.08Å; G31-L35 WeakPolarHBondContact O-CB 3.1Å; G31-L35 PolarHBondContact O-N 3.21Å; G31-V76 WeakPolarHBondContact CA-O 3.36Å; G31-V76 PolarHBondContact N-O 3.41Å |
| 32 | L | 95.2 | Very high | 95.5 | Very high | 29 Ų | 29 | 25.4 Ų | 25.4 | 15% | 0.152 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -79.5 | -33.1 | 178.6 | -62.3 | -162.8 | 0 | 0 | 0 | 111.6 | L35 N36 L77 D78 V129 | L32-L35 HydrophobicContact CD2-CD2 4.06Å; L32-N36 PolarHBondContact O-N 2.95Å; L32-N36 VanDerWaalsContact O-N 3.08Å; L32-N36 PolarHBondContact O-ND2 2.89Å; L32-L77 HydrophobicContact CD2-CD2 3.72Å; L32-L77 HydrophobicContact CG-CD2 4.3Å; L32-D78 HydrophobicContact CD1-CB 3.92Å; L32-D78 WeakPolarHBondContact CD1-OD2 3.31Å; L32-V129 HydrophobicContact CD2-CG1 3.77Å; L32-V129 HydrophobicContact CD2-CG2 4.46Å |
| 33 | N | 95.6 | Very high | 95.4 | Very high | 25 Ų | 25 | 28.1 Ų | 28.1 | 13% | 0.134 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.2 | -45.3 | 170.2 | -166.2 | -58.8 | 0 | 0 | 0 | 111.6 | D30 L35 N36 F37 S167 N168 D169 | D30-N33 HydrophobicContact CB-CB 4.1Å; D30-N33 WeakPolarHBondContact OD1-CB 3.35Å; D30-N33 PolarHBondContact OD1-N 3.4Å; D30-N33 WeakPolarHBondContact OD2-CB 3.45Å; D30-N33 PolarHBondContact OD2-ND2 3.2Å; N33-L35 PolarHBondContact O-N 3.17Å; N33-N36 PolarHBondContact O-N 3.25Å; N33-F37 WeakPolarHBondContact O-CB 3.33Å; N33-F37 PolarHBondContact O-N 3.32Å; N33-S167 PolarHBondContact ND2-OG 3.39Å; N33-S167 VanDerWaalsContact ND2-OG 3.11Å; N33-N168 PolarHBondContact ND2-N 2.94Å; N33-N168 WeakPolarHBondContact OD1-CB 3.49Å; N33-N168 PolarHBondContact OD1-N 3.36Å; N33-D169 PolarHBondContact ND2-N 3.09Å; N33-D169 VanDerWaalsContact ND2-N 3.17Å |
| 34 | F | 97.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.8 | -45.3 | 175 | -177.2 | -93.4 | 0 | 0 | 0 | 112.5 | I29 D30 N36 F37 L38 F62 F75 F132 L188 F193 | I29-F34 HydrophobicContact CG2-CB 3.77Å; I29-F34 HydrophobicContact CG2-CD2 3.99Å; I29-F34 HydrophobicContact CG2-CG 4.03Å; D30-F34 WeakPolarHBondContact O-CB 3.35Å; D30-F34 PolarHBondContact O-N 2.9Å; F34-N36 PolarHBondContact O-N 2.96Å; F34-F37 PolarHBondContact O-N 2.89Å; F34-L38 HydrophobicContact CE1-CD2 3.88Å; F34-L38 WeakPolarHBondContact O-CB 3.27Å; F34-L38 PolarHBondContact O-N 3.48Å; F34-F62 HydrophobicContact CZ-CB 4.42Å; F34-F62 HydrophobicContact CZ-CD1 4.32Å; F34-F75 HydrophobicContact CB-CE1 4.25Å; F34-F75 HydrophobicContact CD1-CD1 4.47Å; F34-F75 AromaticContact CD1-CE1 3.52Å; F34-F75 HydrophobicContact CD1-CE1 3.52Å; F34-F75 HydrophobicContact CD1-CZ 4.09Å; F34-F75 HydrophobicContact CD2-CE1 4.37Å; F34-F75 AromaticContact CE1-CE1 3.88Å; F34-F75 HydrophobicContact CE1-CE1 3.88Å; F34-F75 AromaticContact CE1-CZ 3.96Å; F34-F75 HydrophobicContact CE1-CZ 3.96Å; F34-F75 AromaticContact CG-CE1 3.8Å; F34-F75 HydrophobicContact CG-CE1 3.8Å; F34-F75 HydrophobicContact CZ-CE1 4.46Å; F34-F75 HydrophobicContact CZ-CZ 4.42Å; F34-F132 HydrophobicContact CD1-CE2 4.01Å; F34-F132 AromaticContact CD1-CZ 3.81Å; F34-F132 HydrophobicContact CD1-CZ 3.81Å; F34-F132 HydrophobicContact CE1-CE2 4.07Å; F34-F132 HydrophobicContact CE1-CZ 4.25Å; F34-L188 HydrophobicContact CB-CD2 4.14Å; F34-L188 HydrophobicContact CD2-CD1 3.74Å; F34-L188 HydrophobicContact CD2-CD2 3.84Å; F34-L188 HydrophobicContact CD2-CG 4.48Å; F34-L188 HydrophobicContact CE2-CD1 4.04Å; F34-L188 HydrophobicContact CG-CD2 4.4Å; F34-F193 HydrophobicContact CE2-CE1 4.16Å; F34-F193 AromaticContact CE2-CZ 3.94Å; F34-F193 HydrophobicContact CE2-CZ 3.94Å |
| 35 | L | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.1 | -48.1 | 174.6 | 169.2 | 58.1 | 0 | 0 | 0 | 112.7 | G31 L32 N33 L38 Y39 F55 V129 F132 | G31-L35 WeakPolarHBondContact O-CB 3.1Å; G31-L35 PolarHBondContact O-N 3.21Å; L32-L35 HydrophobicContact CD2-CD2 4.06Å; N33-L35 PolarHBondContact O-N 3.17Å; L35-L38 PolarHBondContact O-N 3.05Å; L35-Y39 PolarHBondContact O-N 3.41Å; L35-F55 HydrophobicContact CD1-CE1 3.58Å; L35-F55 HydrophobicContact CD1-CZ 3.4Å; L35-F55 VanDerWaalsContact CD1-CZ 3.4Å; L35-V129 HydrophobicContact CD2-CB 3.93Å; L35-V129 HydrophobicContact CD2-CG1 4.05Å; L35-V129 HydrophobicContact CD2-CG2 3.65Å; L35-F132 HydrophobicContact CB-CD1 4.39Å; L35-F132 HydrophobicContact CD1-CB 4Å; L35-F132 HydrophobicContact CD1-CG 4.31Å |
| 36 | N | 94.6 | Very high | 95.5 | Very high | 60 Ų | 60 | 25.2 Ų | 25.2 | 32% | 0.321 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -64.3 | -47.9 | 179.8 | -84.6 | -89.4 | 0 | 0 | 0 | 111.5 | L32 N33 F34 L38 Y39 F40 | L32-N36 PolarHBondContact O-N 2.95Å; L32-N36 VanDerWaalsContact O-N 3.08Å; L32-N36 PolarHBondContact O-ND2 2.89Å; N33-N36 PolarHBondContact O-N 3.25Å; F34-N36 PolarHBondContact O-N 2.96Å; N36-L38 PolarHBondContact O-N 3.42Å; N36-Y39 PolarHBondContact O-N 2.92Å; N36-F40 WeakPolarHBondContact O-CD2 3.17Å; N36-F40 PolarHBondContact O-N 3.31Å |
| 37 | F | 95.1 | Very high | 95.4 | Very high | 48 Ų | 48 | 23.3 Ų | 23.3 | 21% | 0.211 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.1 | -52.5 | 175 | 171.4 | -99.3 | 0 | 0 | 0 | 111.3 | N33 F34 Y39 F40 D41 L188 F193 | N33-F37 WeakPolarHBondContact O-CB 3.33Å; N33-F37 PolarHBondContact O-N 3.32Å; F34-F37 PolarHBondContact O-N 2.89Å; F37-Y39 PolarHBondContact O-N 3.49Å; F37-F40 PolarHBondContact O-N 3.08Å; F37-D41 HydrophobicContact CZ-CB 4.5Å; F37-D41 VanDerWaalsContact O-CB 3.25Å; F37-D41 WeakPolarHBondContact O-CB 3.45Å; F37-D41 PolarHBondContact O-N 3.02Å; F37-L188 HydrophobicContact CB-CD2 3.69Å; F37-L188 HydrophobicContact CB-CG 4.45Å; F37-L188 HydrophobicContact CD1-CD1 4.04Å; F37-L188 HydrophobicContact CD1-CD2 3.72Å; F37-L188 HydrophobicContact CD1-CG 3.77Å; F37-L188 HydrophobicContact CD2-CG 4.48Å; F37-L188 HydrophobicContact CE1-CD1 4.12Å; F37-L188 HydrophobicContact CE1-CG 4.11Å; F37-L188 HydrophobicContact CG-CD2 3.74Å; F37-L188 HydrophobicContact CG-CG 3.98Å; F37-F193 HydrophobicContact CE1-CE2 4.11Å |
| 38 | L | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.5 | -39.5 | -176 | -175.8 | 68.8 | 0 | 0 | 0 | 113.1 | F34 L35 N36 S42 F55 V58 I59 F62 | F34-L38 HydrophobicContact CE1-CD2 3.88Å; F34-L38 WeakPolarHBondContact O-CB 3.27Å; F34-L38 PolarHBondContact O-N 3.48Å; L35-L38 PolarHBondContact O-N 3.05Å; N36-L38 PolarHBondContact O-N 3.42Å; L38-S42 VanDerWaalsContact O-CB 3.27Å; L38-S42 WeakPolarHBondContact O-CB 3.35Å; L38-S42 PolarHBondContact O-N 3.23Å; L38-S42 PolarHBondContact O-OG 3.06Å; L38-F55 HydrophobicContact CB-CE2 4.43Å; L38-F55 HydrophobicContact CD2-CE2 3.94Å; L38-F55 HydrophobicContact CD2-CZ 4.11Å; L38-F55 HydrophobicContact CG-CE2 3.95Å; L38-F55 HydrophobicContact CG-CZ 4.5Å; L38-V58 HydrophobicContact CD1-CG1 3.61Å; L38-V58 HydrophobicContact CD2-CG1 4.3Å; L38-V58 HydrophobicContact CG-CG1 3.77Å; L38-I59 HydrophobicContact CD2-CB 4.28Å; L38-I59 HydrophobicContact CD2-CG1 3.61Å; L38-F62 HydrophobicContact CD1-CB 4.23Å; L38-F62 HydrophobicContact CD1-CD1 3.52Å; L38-F62 HydrophobicContact CD1-CD2 3.45Å; L38-F62 VanDerWaalsContact CD1-CD2 3.45Å; L38-F62 HydrophobicContact CD1-CE1 3.54Å; L38-F62 HydrophobicContact CD1-CE2 3.48Å; L38-F62 VanDerWaalsContact CD1-CE2 3.48Å; L38-F62 HydrophobicContact CD1-CG 3.47Å; L38-F62 VanDerWaalsContact CD1-CG 3.47Å; L38-F62 HydrophobicContact CD1-CZ 3.52Å |
| 39 | Y | 95.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.4 | -48.2 | -179.6 | -166.8 | -82.4 | 0 | 0 | 0 | 111.3 | L35 N36 F37 S42 L44 A46 E51 F55 L124 P125 T128 | L35-Y39 PolarHBondContact O-N 3.41Å; N36-Y39 PolarHBondContact O-N 2.92Å; F37-Y39 PolarHBondContact O-N 3.49Å; Y39-S42 PolarHBondContact O-OG 3.25Å; Y39-L44 HydrophobicContact CE1-CB 4.2Å; Y39-L44 HydrophobicContact CE2-CD1 4.25Å; Y39-A46 HydrophobicContact CE1-CB 4.32Å; Y39-E51 PolarHBondContact OH-N 2.88Å; Y39-F55 HydrophobicContact CD2-CB 4.41Å; Y39-F55 HydrophobicContact CD2-CD1 4.07Å; Y39-F55 AromaticContact CD2-CD2 3.52Å; Y39-F55 HydrophobicContact CD2-CD2 3.52Å; Y39-F55 HydrophobicContact CD2-CE1 4.26Å; Y39-F55 AromaticContact CD2-CE2 3.76Å; Y39-F55 HydrophobicContact CD2-CE2 3.76Å; Y39-F55 AromaticContact CD2-CG 3.72Å; Y39-F55 HydrophobicContact CD2-CG 3.72Å; Y39-F55 HydrophobicContact CD2-CZ 4.15Å; Y39-F55 HydrophobicContact CE2-CB 4.19Å; Y39-F55 HydrophobicContact CE2-CD1 4.44Å; Y39-F55 HydrophobicContact CE2-CD2 4.12Å; Y39-F55 AromaticContact CE2-CG 3.98Å; Y39-F55 HydrophobicContact CE2-CG 3.98Å; Y39-F55 HydrophobicContact CG-CD2 4.37Å; Y39-F55 HydrophobicContact CG-CE2 4.32Å; Y39-L124 HydrophobicContact CD1-CD1 4.19Å; Y39-L124 HydrophobicContact CD2-CD1 4.43Å; Y39-L124 HydrophobicContact CG-CD1 3.83Å; Y39-P125 HydrophobicContact CE1-CG 4.13Å; Y39-P125 HydrophobicContact CE2-CG 4.42Å; Y39-T128 HydrophobicContact CD2-CG2 3.6Å; Y39-T128 HydrophobicContact CE2-CG2 3.74Å; Y39-T128 HydrophobicContact CG-CG2 4.35Å |
| 40 | F | 93 | Very high | 95.1 | Very high | 64 Ų | 64 | 23.3 Ų | 23.3 | 28% | 0.281 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -76.4 | -40 | -175.6 | -60.3 | -55.9 | 0 | 0 | 0 | 113.4 | N36 F37 S42 G43 E122 L124 | N36-F40 WeakPolarHBondContact O-CD2 3.17Å; N36-F40 PolarHBondContact O-N 3.31Å; F37-F40 PolarHBondContact O-N 3.08Å; F40-S42 PolarHBondContact O-N 3.25Å; F40-G43 PolarHBondContact O-N 3.49Å; F40-G43 VanDerWaalsContact O-N 3.13Å; F40-E122 HydrophobicContact CD1-CB 4.42Å; F40-E122 HydrophobicContact CD1-CG 4.41Å; F40-E122 HydrophobicContact CE1-CB 4.21Å; F40-E122 HydrophobicContact CZ-CB 4.32Å; F40-L124 HydrophobicContact CE2-CD1 4.42Å; F40-L124 HydrophobicContact CZ-CB 4.05Å; F40-L124 HydrophobicContact CZ-CD1 4.22Å |
| 41 | D | 92.5 | Very high | 95 | Very high | 101 Ų | 101 | 23 Ų | 23 | 54% | 0.54 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -57 | -35.2 | 173.8 | -179.2 | 75.8 | 0 | 0 | 0 | 111.9 | F37 G43 | F37-D41 HydrophobicContact CZ-CB 4.5Å; F37-D41 VanDerWaalsContact O-CB 3.25Å; F37-D41 WeakPolarHBondContact O-CB 3.45Å; F37-D41 PolarHBondContact O-N 3.02Å; D41-G43 PolarHBondContact O-N 3.1Å; D41-G43 VanDerWaalsContact O-N 3.15Å |
| 42 | S | 92.8 | Very high | 94.9 | Very high | 26 Ų | 26 | 23 Ų | 23 | 18% | 0.182 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -4.1 | -179.9 | 76 | 0 | 0 | 0 | 0 | 116 | L38 Y39 F40 L44 | L38-S42 VanDerWaalsContact O-CB 3.27Å; L38-S42 WeakPolarHBondContact O-CB 3.35Å; L38-S42 PolarHBondContact O-N 3.23Å; L38-S42 PolarHBondContact O-OG 3.06Å; Y39-S42 PolarHBondContact O-OG 3.25Å; F40-S42 PolarHBondContact O-N 3.25Å; S42-L44 PolarHBondContact O-N 3.47Å; S42-L44 WeakPolarHBondContact OG-CD1 3.41Å; S42-L44 WeakPolarHBondContact OG-CG 3.38Å |
| 43 | G | 92.2 | Very high | 95 | Very high | 58 Ų | 58 | 21.8 Ų | 21.8 | 60% | 0.598 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 22.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F40 D41 | F40-G43 PolarHBondContact O-N 3.49Å; F40-G43 VanDerWaalsContact O-N 3.13Å; D41-G43 PolarHBondContact O-N 3.1Å; D41-G43 VanDerWaalsContact O-N 3.15Å |
| 44 | L | 94.5 | Very high | 94.9 | Very high | 16 Ų | 16 | 21 Ų | 21 | 8% | 0.084 | 12% | 0.121 | C | C | . | . | trans | -74.6 | 150.1 | -179.6 | -66.6 | 178.2 | 0 | 0 | 0 | 112.3 | Y39 S42 A46 E51 A54 F55 V58 K675 | Y39-L44 HydrophobicContact CE1-CB 4.2Å; Y39-L44 HydrophobicContact CE2-CD1 4.25Å; S42-L44 PolarHBondContact O-N 3.47Å; S42-L44 WeakPolarHBondContact OG-CD1 3.41Å; S42-L44 WeakPolarHBondContact OG-CG 3.38Å; L44-A46 PolarHBondContact O-N 2.71Å; L44-E51 HydrophobicContact CB-CB 4.35Å; L44-E51 HydrophobicContact CD1-CB 4.49Å; L44-E51 HydrophobicContact CD2-CB 4.35Å; L44-A54 HydrophobicContact CD1-CB 4.11Å; L44-A54 HydrophobicContact CD2-CB 3.52Å; L44-A54 HydrophobicContact CG-CB 4.49Å; L44-F55 HydrophobicContact CD1-CB 3.71Å; L44-F55 HydrophobicContact CD1-CD2 4.08Å; L44-F55 HydrophobicContact CD1-CG 4.36Å; L44-V58 HydrophobicContact CD1-CG2 4.41Å; L44-K675 VanDerWaalsContact CD2-NZ 3.33Å | ||
| 45 | Y | 94 | Very high | 94.9 | Very high | 45 Ų | 45 | 20.9 Ų | 20.9 | 18% | 0.176 | 12% | 0.121 | C | C | . | . | trans | -70.8 | 89.9 | -177.4 | -59.1 | -34.6 | 0 | 0 | 0 | 111.9 | Q47 F48 I115 Y679 Y762 | Y45-Q47 PolarHBondContact O-N 3.38Å; Y45-F48 HydrophobicContact CD2-CD2 4.19Å; Y45-F48 AromaticContact CD2-CE2 3.85Å; Y45-F48 HydrophobicContact CD2-CE2 3.85Å; Y45-F48 HydrophobicContact CG-CD2 4.26Å; Y45-F48 HydrophobicContact CG-CE2 4.05Å; Y45-I115 HydrophobicContact CD2-CG2 4.3Å; Y45-I115 HydrophobicContact CE2-CB 4.34Å; Y45-I115 HydrophobicContact CE2-CG2 3.62Å; Y45-Y679 HydrophobicContact CD2-CE1 4.27Å; Y45-Y679 VanDerWaalsContact CD2-OH 3.28Å; Y45-Y679 WeakPolarHBondContact CD2-OH 3.45Å; Y45-Y679 AromaticContact CE2-CE1 3.51Å; Y45-Y679 HydrophobicContact CE2-CE1 3.51Å; Y45-Y679 AromaticContact CE2-CZ 3.78Å; Y45-Y679 WeakPolarHBondContact CE2-OH 3.22Å; Y45-Y762 HydrophobicContact CD2-CG 4.43Å | ||
| 46 | A | 94.2 | Very high | 94.8 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 3% | 0.033 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -58.8 | -33.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y39 L44 F48 N49 I121 I493 | Y39-A46 HydrophobicContact CE1-CB 4.32Å; L44-A46 PolarHBondContact O-N 2.71Å; A46-F48 PolarHBondContact O-N 3.39Å; A46-N49 PolarHBondContact O-N 2.93Å; A46-I121 VanDerWaalsContact CB-O 3.24Å; A46-I121 WeakPolarHBondContact CB-O 3.47Å; A46-I493 VanDerWaalsContact O-CD1 3.27Å; A46-I493 WeakPolarHBondContact O-CD1 3.5Å |
| 47 | Q | 95 | Very high | 94.8 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -59.9 | -19.1 | -170.5 | 65 | -94.1 | 50.6 | 0 | 0 | 115.8 | Y45 L103 Y119 N120 I493 L707 I712 | Y45-Q47 PolarHBondContact O-N 3.38Å; Q47-L103 HydrophobicContact CB-CD2 4.47Å; Q47-Y119 WeakPolarHBondContact CB-O 3.37Å; Q47-N120 PolarHBondContact NE2-OD1 2.88Å; Q47-I493 VanDerWaalsContact CA-CD1 3.44Å; Q47-I493 HydrophobicContact CB-CD1 4.5Å; Q47-L707 HydrophobicContact CB-CD2 4.2Å; Q47-L707 HydrophobicContact CG-CD1 4.38Å; Q47-L707 HydrophobicContact CG-CD2 4.3Å; Q47-I712 WeakPolarHBondContact O-CD1 3.43Å |
| 48 | F | 96.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 17 Ų | 17 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -99.7 | 18.8 | 177.7 | -53.6 | -80.9 | 0 | 0 | 0 | 114 | Y45 A46 G50 P114 I115 L707 I712 Y715 Y762 H765 | Y45-F48 HydrophobicContact CD2-CD2 4.19Å; Y45-F48 AromaticContact CD2-CE2 3.85Å; Y45-F48 HydrophobicContact CD2-CE2 3.85Å; Y45-F48 HydrophobicContact CG-CD2 4.26Å; Y45-F48 HydrophobicContact CG-CE2 4.05Å; A46-F48 PolarHBondContact O-N 3.39Å; F48-G50 PolarHBondContact O-N 2.69Å; F48-P114 HydrophobicContact CE1-CB 3.8Å; F48-P114 HydrophobicContact CZ-CB 3.67Å; F48-P114 WeakPolarHBondContact CZ-O 3.44Å; F48-I115 HydrophobicContact CE2-CG2 4.19Å; F48-I115 HydrophobicContact CZ-CG2 4.12Å; F48-L707 HydrophobicContact CD1-CD1 3.77Å; F48-L707 HydrophobicContact CE1-CD1 3.24Å; F48-L707 HydrophobicContact CZ-CD1 3.8Å; F48-I712 HydrophobicContact CD1-CD1 4.5Å; F48-Y715 VanDerWaalsContact O-CD1 3.24Å; F48-Y715 WeakPolarHBondContact O-CD1 3.24Å; F48-Y715 WeakPolarHBondContact O-CE1 3.43Å; F48-Y762 HydrophobicContact CD2-CD2 4.44Å; F48-Y762 HydrophobicContact CE1-CD2 4.13Å; F48-Y762 AromaticContact CE2-CD2 3.78Å; F48-Y762 HydrophobicContact CE2-CD2 3.78Å; F48-Y762 HydrophobicContact CE2-CG 4.27Å; F48-Y762 AromaticContact CZ-CD2 3.62Å; F48-Y762 HydrophobicContact CZ-CD2 3.62Å; F48-Y762 HydrophobicContact CZ-CE2 4.42Å; F48-Y762 HydrophobicContact CZ-CG 4.5Å; F48-H765 HydrophobicContact CD1-CB 3.72Å; F48-H765 AromaticContact CD1-CG 3.92Å; F48-H765 HydrophobicContact CE1-CB 4.02Å; F48-H765 AromaticContact CE1-CG 3.85Å |
| 49 | N | 95.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 37.2 | -169.7 | -76.1 | -35.3 | 0 | 0 | 0 | 113.2 | A46 Y52 I493 I712 Y715 Q719 | A46-N49 PolarHBondContact O-N 2.93Å; N49-Y52 VanDerWaalsContact O-CE2 3.24Å; N49-Y52 WeakPolarHBondContact O-CE2 3.39Å; N49-Y52 PolarHBondContact O-OH 3.31Å; N49-I493 PolarHBondContact ND2-O 2.94Å; N49-I493 WeakPolarHBondContact OD1-CB 3.37Å; N49-I493 PolarHBondContact OD1-N 3.28Å; N49-I493 VanDerWaalsContact OD1-N 3.15Å; N49-I712 HydrophobicContact CB-CG2 4.36Å; N49-I712 WeakPolarHBondContact ND2-CG2 3.26Å; N49-I712 PolarHBondContact ND2-O 3.4Å; N49-Y715 HydrophobicContact CB-CD1 4.14Å; N49-Q719 PolarHBondContact O-NE2 2.95Å; N49-Q719 PolarHBondContact O-OE1 2.92Å |
| 50 | G | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | 112 | 142.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | F48 G761 | F48-G50 PolarHBondContact O-N 2.69Å; G50-G761 PolarHBondContact O-N 2.85Å | ||
| 51 | E | 96.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.009 | 12% | 0.116 | C | C | . | . | trans | -112.6 | 61.6 | 179.8 | -67.6 | -61.7 | 126.5 | 0 | 0 | 111 | Y39 L44 L53 A54 F55 P759 S760 G761 Y762 | Y39-E51 PolarHBondContact OH-N 2.88Å; L44-E51 HydrophobicContact CB-CB 4.35Å; L44-E51 HydrophobicContact CD1-CB 4.49Å; L44-E51 HydrophobicContact CD2-CB 4.35Å; E51-L53 PolarHBondContact O-N 3.48Å; E51-A54 HydrophobicContact CB-CB 4.05Å; E51-A54 WeakPolarHBondContact O-CA 3.39Å; E51-A54 WeakPolarHBondContact O-CB 3.37Å; E51-A54 PolarHBondContact O-N 2.85Å; E51-F55 PolarHBondContact O-N 2.96Å; E51-P759 CarbonylContact C-O 3.52Å; E51-S760 PolarHBondContact OE1-OG 3.3Å; E51-S760 WeakPolarHBondContact OE2-CB 3.5Å; E51-S760 PolarHBondContact OE2-OG 3.04Å; E51-G761 PolarHBondContact OE1-N 2.84Å; E51-G761 VanDerWaalsContact OE1-N 3.1Å; E51-Y762 WeakPolarHBondContact OE1-CB 3.29Å; E51-Y762 PolarHBondContact OE1-N 2.99Å | ||
| 52 | Y | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.6 | -29.7 | -162.2 | -52.4 | -82.6 | 0 | 0 | 0 | 114.7 | N49 A54 F55 S56 P125 P126 L127 T128 T131 I754 F758 P759 | N49-Y52 VanDerWaalsContact O-CE2 3.24Å; N49-Y52 WeakPolarHBondContact O-CE2 3.39Å; N49-Y52 PolarHBondContact O-OH 3.31Å; Y52-A54 VanDerWaalsContact C-N 3.35Å; Y52-F55 PolarHBondContact O-N 2.82Å; Y52-S56 WeakPolarHBondContact O-CB 3.46Å; Y52-S56 PolarHBondContact O-N 2.76Å; Y52-S56 PolarHBondContact O-OG 3.06Å; Y52-P125 HydrophobicContact CE1-CB 4.16Å; Y52-P125 WeakPolarHBondContact OH-CB 3.39Å; Y52-P126 WeakPolarHBondContact OH-CD 3.44Å; Y52-L127 HydrophobicContact CD1-CB 4.06Å; Y52-L127 HydrophobicContact CE1-CB 3.53Å; Y52-L127 HydrophobicContact CE1-CG 4.46Å; Y52-L127 HydrophobicContact CE2-CB 4.31Å; Y52-L127 HydrophobicContact CE2-CD1 4.48Å; Y52-L127 HydrophobicContact CE2-CG 4.49Å; Y52-L127 PolarHBondContact OH-N 3.01Å; Y52-T128 HydrophobicContact CE1-CG2 3.96Å; Y52-T131 VanDerWaalsContact CD1-OG1 3.32Å; Y52-T131 WeakPolarHBondContact CD1-OG1 3.16Å; Y52-I754 HydrophobicContact CD1-CG2 4.3Å; Y52-I754 HydrophobicContact CD2-CG2 4.39Å; Y52-I754 HydrophobicContact CG-CG2 3.94Å; Y52-F758 WeakPolarHBondContact CB-O 3.38Å; Y52-F758 HydrophobicContact CD2-CB 4.01Å; Y52-F758 VanDerWaalsContact CD2-O 3.22Å; Y52-F758 WeakPolarHBondContact CD2-O 3.39Å; Y52-F758 HydrophobicContact CE2-CB 4.36Å; Y52-P759 PolarHBondContact N-O 3.21Å |
| 53 | L | 95.4 | Very high | 95 | Very high | 3 Ų | 3 | 14.9 Ų | 14.9 | 2% | 0.016 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.1 | -35.9 | 170.1 | 177.7 | 65.2 | 0 | 0 | 0 | 112.1 | E51 S56 Y670 L674 F678 Y755 P759 | E51-L53 PolarHBondContact O-N 3.48Å; L53-S56 PolarHBondContact O-OG 2.59Å; L53-Y670 HydrophobicContact CD1-CD2 3.94Å; L53-Y670 HydrophobicContact CD1-CE2 3.76Å; L53-L674 HydrophobicContact CD2-CB 4.08Å; L53-L674 HydrophobicContact CD2-CD2 3.81Å; L53-L674 HydrophobicContact CD2-CG 3.76Å; L53-F678 HydrophobicContact CD2-CD2 3.78Å; L53-F678 HydrophobicContact CD2-CE2 3.68Å; L53-Y755 HydrophobicContact CD1-CD2 4.25Å; L53-Y755 HydrophobicContact CD1-CG 4.47Å; L53-P759 HydrophobicContact CB-CB 4.02Å; L53-P759 VanDerWaalsContact CB-O 3.29Å; L53-P759 WeakPolarHBondContact CB-O 3.38Å; L53-P759 HydrophobicContact CD2-CB 4.25Å; L53-P759 PolarHBondContact N-O 2.99Å |
| 54 | A | 95.3 | Very high | 95.1 | Very high | 8 Ų | 8 | 14.9 Ų | 14.9 | 7% | 0.066 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -70.5 | -41.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L44 E51 Y52 G57 V58 K675 | L44-A54 HydrophobicContact CD1-CB 4.11Å; L44-A54 HydrophobicContact CD2-CB 3.52Å; L44-A54 HydrophobicContact CG-CB 4.49Å; E51-A54 HydrophobicContact CB-CB 4.05Å; E51-A54 WeakPolarHBondContact O-CA 3.39Å; E51-A54 WeakPolarHBondContact O-CB 3.37Å; E51-A54 PolarHBondContact O-N 2.85Å; Y52-A54 VanDerWaalsContact C-N 3.35Å; A54-G57 PolarHBondContact O-N 3.41Å; A54-V58 WeakPolarHBondContact O-CG2 3.3Å; A54-V58 PolarHBondContact O-N 3.11Å; A54-K675 HydrophobicContact CB-CD 3.5Å; A54-K675 HydrophobicContact CB-CG 4.12Å |
| 55 | F | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.6 | -39.8 | -179.4 | -173.3 | -124.3 | 0 | 0 | 0 | 112.7 | L35 L38 Y39 L44 E51 Y52 G57 V58 I59 T131 | L35-F55 HydrophobicContact CD1-CE1 3.58Å; L35-F55 HydrophobicContact CD1-CZ 3.4Å; L35-F55 VanDerWaalsContact CD1-CZ 3.4Å; L38-F55 HydrophobicContact CB-CE2 4.43Å; L38-F55 HydrophobicContact CD2-CE2 3.94Å; L38-F55 HydrophobicContact CD2-CZ 4.11Å; L38-F55 HydrophobicContact CG-CE2 3.95Å; L38-F55 HydrophobicContact CG-CZ 4.5Å; Y39-F55 HydrophobicContact CD2-CB 4.41Å; Y39-F55 HydrophobicContact CD2-CD1 4.07Å; Y39-F55 AromaticContact CD2-CD2 3.52Å; Y39-F55 HydrophobicContact CD2-CD2 3.52Å; Y39-F55 HydrophobicContact CD2-CE1 4.26Å; Y39-F55 AromaticContact CD2-CE2 3.76Å; Y39-F55 HydrophobicContact CD2-CE2 3.76Å; Y39-F55 AromaticContact CD2-CG 3.72Å; Y39-F55 HydrophobicContact CD2-CG 3.72Å; Y39-F55 HydrophobicContact CD2-CZ 4.15Å; Y39-F55 HydrophobicContact CE2-CB 4.19Å; Y39-F55 HydrophobicContact CE2-CD1 4.44Å; Y39-F55 HydrophobicContact CE2-CD2 4.12Å; Y39-F55 AromaticContact CE2-CG 3.98Å; Y39-F55 HydrophobicContact CE2-CG 3.98Å; Y39-F55 HydrophobicContact CG-CD2 4.37Å; Y39-F55 HydrophobicContact CG-CE2 4.32Å; L44-F55 HydrophobicContact CD1-CB 3.71Å; L44-F55 HydrophobicContact CD1-CD2 4.08Å; L44-F55 HydrophobicContact CD1-CG 4.36Å; E51-F55 PolarHBondContact O-N 2.96Å; Y52-F55 PolarHBondContact O-N 2.82Å; F55-G57 VanDerWaalsContact C-N 3.28Å; F55-G57 PolarHBondContact O-N 3.14Å; F55-V58 HydrophobicContact CD2-CB 4.38Å; F55-V58 HydrophobicContact CD2-CG1 4.44Å; F55-V58 WeakPolarHBondContact O-CA 3.45Å; F55-V58 WeakPolarHBondContact O-CB 3.4Å; F55-V58 PolarHBondContact O-N 2.89Å; F55-I59 HydrophobicContact CD1-CD1 3.71Å; F55-I59 HydrophobicContact CD1-CG1 4.42Å; F55-I59 HydrophobicContact CD2-CG1 4.5Å; F55-I59 HydrophobicContact CE1-CD1 3.45Å; F55-I59 VanDerWaalsContact CE1-CD1 3.45Å; F55-I59 HydrophobicContact CE1-CG1 4.02Å; F55-I59 HydrophobicContact CE2-CD1 4.38Å; F55-I59 HydrophobicContact CE2-CG1 4.09Å; F55-I59 HydrophobicContact CG-CD1 4.27Å; F55-I59 HydrophobicContact CZ-CD1 3.78Å; F55-I59 HydrophobicContact CZ-CG1 3.8Å; F55-I59 WeakPolarHBondContact O-CG1 3.46Å; F55-I59 PolarHBondContact O-N 2.96Å; F55-T131 HydrophobicContact CD1-CG2 3.98Å |
| 56 | S | 95.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59.5 | -37.7 | 174.2 | 67.4 | 0 | 0 | 0 | 0 | 112.7 | Y52 L53 S60 | Y52-S56 WeakPolarHBondContact O-CB 3.46Å; Y52-S56 PolarHBondContact O-N 2.76Å; Y52-S56 PolarHBondContact O-OG 3.06Å; L53-S56 PolarHBondContact O-OG 2.59Å; S56-S60 WeakPolarHBondContact O-CB 3.29Å; S56-S60 PolarHBondContact O-N 2.87Å; S56-S60 PolarHBondContact O-OG 3.03Å |
| 57 | G | 93.7 | Very high | 95.2 | Very high | 11 Ų | 11 | 17.3 Ų | 17.3 | 11% | 0.113 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.5 | -34.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A54 F55 R61 | A54-G57 PolarHBondContact O-N 3.41Å; F55-G57 VanDerWaalsContact C-N 3.28Å; F55-G57 PolarHBondContact O-N 3.14Å; G57-R61 PolarHBondContact O-N 3.46Å |
| 58 | V | 95 | Very high | 95.1 | Very high | 14 Ų | 14 | 24.5 Ų | 24.5 | 9% | 0.085 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.1 | -51.3 | 173.4 | 166.2 | 0 | 0 | 0 | 0 | 110.8 | L38 L44 A54 F55 S60 R61 F62 | L38-V58 HydrophobicContact CD1-CG1 3.61Å; L38-V58 HydrophobicContact CD2-CG1 4.3Å; L38-V58 HydrophobicContact CG-CG1 3.77Å; L44-V58 HydrophobicContact CD1-CG2 4.41Å; A54-V58 WeakPolarHBondContact O-CG2 3.3Å; A54-V58 PolarHBondContact O-N 3.11Å; F55-V58 HydrophobicContact CD2-CB 4.38Å; F55-V58 HydrophobicContact CD2-CG1 4.44Å; F55-V58 WeakPolarHBondContact O-CA 3.45Å; F55-V58 WeakPolarHBondContact O-CB 3.4Å; F55-V58 PolarHBondContact O-N 2.89Å; V58-S60 VanDerWaalsContact C-N 3.32Å; V58-S60 PolarHBondContact O-N 3.15Å; V58-R61 WeakPolarHBondContact O-CB 3.48Å; V58-R61 PolarHBondContact O-N 2.94Å; V58-R61 VanDerWaalsContact O-N 3.16Å; V58-F62 HydrophobicContact CG1-CD2 4.32Å; V58-F62 HydrophobicContact CG1-CE2 4.22Å; V58-F62 WeakPolarHBondContact O-CD2 3.23Å; V58-F62 PolarHBondContact O-N 3.29Å; V58-F62 VanDerWaalsContact O-N 3.15Å |
| 59 | I | 96 | Very high | 95 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -55.6 | -49.3 | 175.9 | -60.8 | 154.7 | 0 | 0 | 0 | 110.2 | L38 F55 R61 F62 I63 F132 V135 | L38-I59 HydrophobicContact CD2-CB 4.28Å; L38-I59 HydrophobicContact CD2-CG1 3.61Å; F55-I59 HydrophobicContact CD1-CD1 3.71Å; F55-I59 HydrophobicContact CD1-CG1 4.42Å; F55-I59 HydrophobicContact CD2-CG1 4.5Å; F55-I59 HydrophobicContact CE1-CD1 3.45Å; F55-I59 VanDerWaalsContact CE1-CD1 3.45Å; F55-I59 HydrophobicContact CE1-CG1 4.02Å; F55-I59 HydrophobicContact CE2-CD1 4.38Å; F55-I59 HydrophobicContact CE2-CG1 4.09Å; F55-I59 HydrophobicContact CG-CD1 4.27Å; F55-I59 HydrophobicContact CZ-CD1 3.78Å; F55-I59 HydrophobicContact CZ-CG1 3.8Å; F55-I59 WeakPolarHBondContact O-CG1 3.46Å; F55-I59 PolarHBondContact O-N 2.96Å; I59-R61 VanDerWaalsContact C-N 3.27Å; I59-R61 PolarHBondContact O-N 3.36Å; I59-F62 PolarHBondContact O-N 3.36Å; I59-F62 VanDerWaalsContact O-N 3.12Å; I59-I63 HydrophobicContact CG2-CG1 4.23Å; I59-I63 WeakPolarHBondContact O-CG1 3.36Å; I59-I63 PolarHBondContact O-N 3.26Å; I59-F132 HydrophobicContact CD1-CB 4.2Å; I59-F132 HydrophobicContact CD1-CD2 3.95Å; I59-F132 HydrophobicContact CG1-CD2 3.97Å; I59-F132 HydrophobicContact CG2-CD2 3.88Å; I59-F132 HydrophobicContact CG2-CE2 4.07Å; I59-V135 HydrophobicContact CB-CB 4.48Å; I59-V135 HydrophobicContact CB-CG1 3.91Å; I59-V135 HydrophobicContact CD1-CB 4.27Å; I59-V135 HydrophobicContact CD1-CG2 4.32Å; I59-V135 HydrophobicContact CG2-CB 4.13Å; I59-V135 HydrophobicContact CG2-CG1 3.57Å |
| 60 | S | 94.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.2 | -39.6 | 178.9 | -60.2 | 0 | 0 | 0 | 0 | 113.1 | S56 V58 N64 H667 | S56-S60 WeakPolarHBondContact O-CB 3.29Å; S56-S60 PolarHBondContact O-N 2.87Å; S56-S60 PolarHBondContact O-OG 3.03Å; V58-S60 VanDerWaalsContact C-N 3.32Å; V58-S60 PolarHBondContact O-N 3.15Å; S60-N64 VanDerWaalsContact O-CB 3.32Å; S60-N64 WeakPolarHBondContact O-CB 3.41Å; S60-N64 PolarHBondContact O-N 3.38Å; S60-N64 VanDerWaalsContact O-N 3.09Å; S60-N64 PolarHBondContact O-ND2 3.13Å; S60-H667 PolarHBondContact OG-CE1 3.25Å; S60-H667 PolarHBondContact OG-ND1 2.84Å |
| 61 | R | 93.5 | Very high | 95 | Very high | 135 Ų | 135 | 28 Ų | 28 | 51% | 0.509 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -64.5 | -47 | 176.1 | 179.2 | 178 | 61.6 | 175 | -0.3 | 111.8 | G57 V58 I59 N64 S65 | G57-R61 PolarHBondContact O-N 3.46Å; V58-R61 WeakPolarHBondContact O-CB 3.48Å; V58-R61 PolarHBondContact O-N 2.94Å; V58-R61 VanDerWaalsContact O-N 3.16Å; I59-R61 VanDerWaalsContact C-N 3.27Å; I59-R61 PolarHBondContact O-N 3.36Å; R61-N64 PolarHBondContact O-N 2.89Å; R61-S65 PolarHBondContact O-N 2.55Å; R61-S65 PolarHBondContact O-OG 2.88Å |
| 62 | F | 94.4 | Very high | 94.9 | Very high | 13 Ų | 13 | 30.9 Ų | 30.9 | 6% | 0.057 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.6 | -42 | -177.9 | -83.5 | -117.9 | 0 | 0 | 0 | 112.3 | F34 L38 V58 I59 N64 S65 L66 F193 | F34-F62 HydrophobicContact CZ-CB 4.42Å; F34-F62 HydrophobicContact CZ-CD1 4.32Å; L38-F62 HydrophobicContact CD1-CB 4.23Å; L38-F62 HydrophobicContact CD1-CD1 3.52Å; L38-F62 HydrophobicContact CD1-CD2 3.45Å; L38-F62 VanDerWaalsContact CD1-CD2 3.45Å; L38-F62 HydrophobicContact CD1-CE1 3.54Å; L38-F62 HydrophobicContact CD1-CE2 3.48Å; L38-F62 VanDerWaalsContact CD1-CE2 3.48Å; L38-F62 HydrophobicContact CD1-CG 3.47Å; L38-F62 VanDerWaalsContact CD1-CG 3.47Å; L38-F62 HydrophobicContact CD1-CZ 3.52Å; V58-F62 HydrophobicContact CG1-CD2 4.32Å; V58-F62 HydrophobicContact CG1-CE2 4.22Å; V58-F62 WeakPolarHBondContact O-CD2 3.23Å; V58-F62 PolarHBondContact O-N 3.29Å; V58-F62 VanDerWaalsContact O-N 3.15Å; I59-F62 PolarHBondContact O-N 3.36Å; I59-F62 VanDerWaalsContact O-N 3.12Å; F62-N64 VanDerWaalsContact C-N 3.28Å; F62-N64 PolarHBondContact O-N 2.92Å; F62-S65 WeakPolarHBondContact O-CB 3.49Å; F62-S65 PolarHBondContact O-N 2.9Å; F62-L66 PolarHBondContact O-N 3.04Å; F62-F193 HydrophobicContact CD1-CB 3.81Å; F62-F193 AromaticContact CD1-CD1 3.55Å; F62-F193 HydrophobicContact CD1-CD1 3.55Å; F62-F193 AromaticContact CD1-CD2 3.82Å; F62-F193 HydrophobicContact CD1-CD2 3.82Å; F62-F193 HydrophobicContact CD1-CE1 4.05Å; F62-F193 HydrophobicContact CD1-CE2 4.28Å; F62-F193 AromaticContact CD1-CG 3.42Å; F62-F193 HydrophobicContact CD1-CG 3.42Å; F62-F193 VanDerWaalsContact CD1-CG 3.42Å; F62-F193 HydrophobicContact CD1-CZ 4.39Å; F62-F193 HydrophobicContact CE1-CB 3.74Å; F62-F193 HydrophobicContact CE1-CD1 4.09Å; F62-F193 AromaticContact CE1-CD2 3.46Å; F62-F193 HydrophobicContact CE1-CD2 3.46Å; F62-F193 VanDerWaalsContact CE1-CD2 3.46Å; F62-F193 HydrophobicContact CE1-CE2 4.07Å; F62-F193 AromaticContact CE1-CG 3.47Å; F62-F193 HydrophobicContact CE1-CG 3.47Å; F62-F193 VanDerWaalsContact CE1-CG 3.47Å; F62-F193 HydrophobicContact CG-CD1 4.45Å; F62-F193 HydrophobicContact CG-CG 4.46Å; F62-F193 HydrophobicContact CZ-CB 4.39Å |
| 63 | I | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60 | -39.7 | 172.4 | -64.2 | -57.3 | 0 | 0 | 0 | 111.2 | I59 L66 R67 P73 F75 L136 L139 V141 | I59-I63 HydrophobicContact CG2-CG1 4.23Å; I59-I63 WeakPolarHBondContact O-CG1 3.36Å; I59-I63 PolarHBondContact O-N 3.26Å; I63-L66 HydrophobicContact CD1-CD1 4.37Å; I63-L66 PolarHBondContact O-N 3.43Å; I63-R67 WeakPolarHBondContact O-CG 3.34Å; I63-R67 PolarHBondContact O-N 2.92Å; I63-P73 HydrophobicContact CD1-CG 4.22Å; I63-F75 HydrophobicContact CD1-CE2 3.81Å; I63-F75 HydrophobicContact CD1-CZ 3.96Å; I63-L136 HydrophobicContact CD1-CD2 4.01Å; I63-L136 HydrophobicContact CG1-CD2 4.37Å; I63-L139 HydrophobicContact CB-CD1 3.94Å; I63-L139 HydrophobicContact CG1-CD1 4.03Å; I63-L139 HydrophobicContact CG2-CB 4.48Å; I63-L139 HydrophobicContact CG2-CD1 3.96Å; I63-V141 HydrophobicContact CD1-CG1 4.46Å; I63-V141 HydrophobicContact CD1-CG2 4.23Å; I63-V141 HydrophobicContact CG1-CG2 4.37Å; I63-V141 HydrophobicContact CG2-CG2 3.6Å |
| 64 | N | 93.7 | Very high | 95.1 | Very high | 58 Ų | 58 | 30.8 Ų | 30.8 | 31% | 0.31 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -71.6 | -30.6 | 176.8 | -72.8 | -15.8 | 0 | 0 | 0 | 113.1 | S60 R61 F62 R67 R68 | S60-N64 VanDerWaalsContact O-CB 3.32Å; S60-N64 WeakPolarHBondContact O-CB 3.41Å; S60-N64 PolarHBondContact O-N 3.38Å; S60-N64 VanDerWaalsContact O-N 3.09Å; S60-N64 PolarHBondContact O-ND2 3.13Å; R61-N64 PolarHBondContact O-N 2.89Å; F62-N64 VanDerWaalsContact C-N 3.28Å; F62-N64 PolarHBondContact O-N 2.92Å; N64-R67 PolarHBondContact O-N 3.45Å; N64-R68 VanDerWaalsContact O-CG 3.31Å; N64-R68 WeakPolarHBondContact O-CG 3.4Å; N64-R68 PolarHBondContact O-N 2.77Å |
| 65 | S | 94.7 | Very high | 95.3 | Very high | 14 Ų | 14 | 30.4 Ų | 30.4 | 10% | 0.098 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62 | -47.3 | 168.8 | -71.4 | 0 | 0 | 0 | 0 | 111.7 | R61 F62 R67 R68 C69 F193 | R61-S65 PolarHBondContact O-N 2.55Å; R61-S65 PolarHBondContact O-OG 2.88Å; F62-S65 WeakPolarHBondContact O-CB 3.49Å; F62-S65 PolarHBondContact O-N 2.9Å; S65-R67 PolarHBondContact O-N 2.8Å; S65-R68 PolarHBondContact O-N 3.39Å; S65-C69 PolarHBondContact O-N 3.17Å; S65-F193 WeakPolarHBondContact CB-O 3.2Å; S65-F193 PolarHBondContact OG-O 3.38Å |
| 66 | L | 96.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.9 | -47.6 | 175.8 | -69.2 | 165.2 | 0 | 0 | 0 | 111.1 | F62 I63 R68 C69 N70 I71 P73 F193 L215 | F62-L66 PolarHBondContact O-N 3.04Å; I63-L66 HydrophobicContact CD1-CD1 4.37Å; I63-L66 PolarHBondContact O-N 3.43Å; L66-R68 PolarHBondContact O-N 3.29Å; L66-C69 CarbonylContact O-C 3.59Å; L66-C69 PolarHBondContact O-N 2.9Å; L66-C69 VanDerWaalsContact O-N 3.1Å; L66-N70 PolarHBondContact O-N 3.41Å; L66-I71 HydrophobicContact CB-CB 4.16Å; L66-I71 HydrophobicContact CD2-CB 4.18Å; L66-I71 HydrophobicContact CD2-CD1 3.76Å; L66-I71 HydrophobicContact CD2-CG2 3.94Å; L66-I71 WeakPolarHBondContact O-CB 3.11Å; L66-I71 PolarHBondContact O-N 3.01Å; L66-P73 HydrophobicContact CD1-CB 4.12Å; L66-P73 HydrophobicContact CD1-CG 3.99Å; L66-F193 HydrophobicContact CD2-CE1 4.33Å; L66-L215 HydrophobicContact CD2-CD1 3.69Å; L66-L215 HydrophobicContact CG-CD1 4.45Å |
| 67 | R | 93.9 | Very high | 95.4 | Very high | 102 Ų | 102 | 30.4 Ų | 30.4 | 39% | 0.385 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -64.2 | -33.7 | 178.5 | -74.6 | 176.9 | 167.6 | 169.7 | -3.5 | 114 | I63 N64 S65 C69 N70 L139 N140 | I63-R67 WeakPolarHBondContact O-CG 3.34Å; I63-R67 PolarHBondContact O-N 2.92Å; N64-R67 PolarHBondContact O-N 3.45Å; S65-R67 PolarHBondContact O-N 2.8Å; R67-C69 PolarHBondContact O-N 3.26Å; R67-N70 PolarHBondContact O-N 2.87Å; R67-L139 VanDerWaalsContact CZ-O 3.26Å; R67-L139 PolarHBondContact NH1-O 2.9Å; R67-L139 PolarHBondContact NH2-O 2.96Å; R67-N140 PolarHBondContact NH2-O 3.14Å |
| 68 | R | 93.4 | Very high | 95.4 | Very high | 151 Ų | 151 | 31.4 Ų | 31.4 | 57% | 0.57 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -63 | -29.2 | 173.2 | -79.6 | 171.8 | 62.3 | 104.4 | 0.6 | 112.8 | N64 S65 L66 N70 P195 | N64-R68 VanDerWaalsContact O-CG 3.31Å; N64-R68 WeakPolarHBondContact O-CG 3.4Å; N64-R68 PolarHBondContact O-N 2.77Å; S65-R68 PolarHBondContact O-N 3.39Å; L66-R68 PolarHBondContact O-N 3.29Å; R68-N70 VanDerWaalsContact C-N 3.3Å; R68-P195 HydrophobicContact CB-CB 4.11Å; R68-P195 HydrophobicContact CB-CG 4.01Å |
| 69 | C | 94.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 11.1 | 173.8 | -57.7 | 0 | 0 | 0 | 0 | 113.1 | H23 N24 S65 L66 R67 I71 A213 Y214 L215 | H23-C69 VanDerWaalsContact CA-O 3.29Å; H23-C69 WeakPolarHBondContact CA-O 3.37Å; N24-C69 PolarHBondContact N-O 2.88Å; S65-C69 PolarHBondContact O-N 3.17Å; L66-C69 CarbonylContact O-C 3.59Å; L66-C69 PolarHBondContact O-N 2.9Å; L66-C69 VanDerWaalsContact O-N 3.1Å; R67-C69 PolarHBondContact O-N 3.26Å; C69-I71 HydrophobicContact CB-CD1 3.63Å; C69-I71 HydrophobicContact CB-CG1 3.91Å; C69-I71 PolarHBondContact O-N 2.88Å; C69-A213 VanDerWaalsContact CA-O 3.31Å; C69-A213 WeakPolarHBondContact CA-O 3.46Å; C69-A213 WeakPolarHBondContact CB-O 3.43Å; C69-Y214 VanDerWaalsContact SG-CA 3.52Å; C69-L215 HydrophobicContact CB-CG 4.42Å |
| 70 | N | 93.7 | Very high | 94.9 | Very high | 71 Ų | 71 | 31 Ų | 31 | 38% | 0.38 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 39.1 | -175 | -164.9 | 48.9 | 0 | 0 | 0 | 112.7 | N24 T25 L66 R67 R68 | N24-N70 WeakPolarHBondContact CA-O 3.28Å; N24-N70 PolarHBondContact N-O 2.95Å; N24-N70 VanDerWaalsContact OD1-CB 3.3Å; N24-N70 WeakPolarHBondContact OD1-CB 3.24Å; N24-N70 PolarHBondContact OD1-ND2 3.1Å; T25-N70 PolarHBondContact N-O 3.12Å; L66-N70 PolarHBondContact O-N 3.41Å; R67-N70 PolarHBondContact O-N 2.87Å; R68-N70 VanDerWaalsContact C-N 3.3Å |
| 71 | I | 95.9 | Very high | 94.2 | Very high | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | trans | -94 | 132.4 | 174.6 | -56.5 | 159.6 | 0 | 0 | 0 | 109 | L22 T25 V27 L66 C69 P73 L215 | L22-I71 HydrophobicContact CB-CD1 4.37Å; L22-I71 HydrophobicContact CD2-CD1 3.8Å; L22-I71 HydrophobicContact CG-CD1 3.63Å; L22-I71 HydrophobicContact CG-CG1 4.15Å; T25-I71 CarbonylContact O-C 3.58Å; T25-I71 VanDerWaalsContact O-CA 3.29Å; T25-I71 WeakPolarHBondContact O-CA 3.47Å; V27-I71 HydrophobicContact CB-CG2 4.43Å; V27-I71 HydrophobicContact CG1-CG2 3.93Å; V27-I71 HydrophobicContact CG2-CG2 3.64Å; L66-I71 HydrophobicContact CB-CB 4.16Å; L66-I71 HydrophobicContact CD2-CB 4.18Å; L66-I71 HydrophobicContact CD2-CD1 3.76Å; L66-I71 HydrophobicContact CD2-CG2 3.94Å; L66-I71 WeakPolarHBondContact O-CB 3.11Å; L66-I71 PolarHBondContact O-N 3.01Å; C69-I71 HydrophobicContact CB-CD1 3.63Å; C69-I71 HydrophobicContact CB-CG1 3.91Å; C69-I71 PolarHBondContact O-N 2.88Å; I71-P73 VanDerWaalsContact O-CD 3.31Å; I71-P73 WeakPolarHBondContact O-CD 3.5Å; I71-L215 HydrophobicContact CD1-CD1 3.93Å; I71-L215 HydrophobicContact CD1-CG 4Å | ||
| 72 | N | 95.8 | Very high | 93.3 | Very high | 61 Ų | 61 | 29 Ų | 29 | 33% | 0.326 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 98.6 | 175.6 | 179.8 | 54.8 | 0 | 0 | 0 | 110.6 | T25 T26 V27 | T25-N72 PolarHBondContact O-N 3.36Å; T26-N72 CarbonylContact C-O 3.53Å; T26-N72 VanDerWaalsContact CA-O 3.24Å; T26-N72 WeakPolarHBondContact CA-O 3.43Å; T26-N72 PolarHBondContact OG1-ND2 3.47Å; V27-N72 PolarHBondContact N-O 3.3Å |
| 73 | P | 97.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 134.4 | 178 | 30.9 | -33.6 | 0 | 0 | 0 | 112.1 | V27 I29 I63 L66 I71 F75 V141 | V27-P73 HydrophobicContact CG2-CB 4.15Å; I29-P73 HydrophobicContact CD1-CB 3.79Å; I63-P73 HydrophobicContact CD1-CG 4.22Å; L66-P73 HydrophobicContact CD1-CB 4.12Å; L66-P73 HydrophobicContact CD1-CG 3.99Å; I71-P73 VanDerWaalsContact O-CD 3.31Å; I71-P73 WeakPolarHBondContact O-CD 3.5Å; P73-F75 HydrophobicContact CB-CE2 3.88Å; P73-F75 HydrophobicContact CB-CZ 4.21Å; P73-F75 HydrophobicContact CG-CE2 4.24Å; P73-V141 HydrophobicContact CG-CG1 3.92Å; P73-V141 WeakPolarHBondContact O-CG1 3.12Å |
| 74 | I | 98.1 | Very high | 91 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 121.5 | 165 | -62.5 | 175.2 | 0 | 0 | 0 | 107.2 | T26 V27 I28 I29 D142 L161 L342 L345 | T26-I74 HydrophobicContact CG2-CD1 3.77Å; T26-I74 HydrophobicContact CG2-CG1 4.16Å; V27-I74 PolarHBondContact O-N 3.42Å; I28-I74 CarbonylContact C-O 3.51Å; I28-I74 WeakPolarHBondContact CA-O 3.27Å; I28-I74 HydrophobicContact CD1-CB 4.05Å; I28-I74 HydrophobicContact CD1-CD1 4.19Å; I29-I74 PolarHBondContact N-O 3.02Å; I74-D142 WeakPolarHBondContact CA-O 3.37Å; I74-D142 HydrophobicContact CG1-CB 4.12Å; I74-L161 HydrophobicContact CD1-CD1 4.31Å; I74-L342 HydrophobicContact CG2-CD1 4.04Å; I74-L342 HydrophobicContact CG2-CD2 3.76Å; I74-L345 HydrophobicContact CD1-CD2 4.32Å |
| 75 | F | 98.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 136.4 | 178.5 | -65.4 | -87.1 | 0 | 0 | 0 | 111.9 | I29 F34 I63 P73 F132 L136 V141 D142 Y143 V144 | I29-F75 HydrophobicContact CB-CD1 3.59Å; I29-F75 HydrophobicContact CB-CE1 3.72Å; I29-F75 HydrophobicContact CB-CG 4.42Å; I29-F75 HydrophobicContact CD1-CD1 4.39Å; I29-F75 HydrophobicContact CD1-CE1 3.72Å; I29-F75 HydrophobicContact CD1-CZ 3.89Å; I29-F75 HydrophobicContact CG1-CD1 4.42Å; I29-F75 HydrophobicContact CG1-CE1 4.22Å; I29-F75 HydrophobicContact CG2-CD1 3.79Å; I29-F75 HydrophobicContact CG2-CE1 3.64Å; I29-F75 CarbonylContact O-C 3.41Å; I29-F75 WeakPolarHBondContact O-CA 3.35Å; F34-F75 HydrophobicContact CB-CE1 4.25Å; F34-F75 HydrophobicContact CD1-CD1 4.47Å; F34-F75 AromaticContact CD1-CE1 3.52Å; F34-F75 HydrophobicContact CD1-CE1 3.52Å; F34-F75 HydrophobicContact CD1-CZ 4.09Å; F34-F75 HydrophobicContact CD2-CE1 4.37Å; F34-F75 AromaticContact CE1-CE1 3.88Å; F34-F75 HydrophobicContact CE1-CE1 3.88Å; F34-F75 AromaticContact CE1-CZ 3.96Å; F34-F75 HydrophobicContact CE1-CZ 3.96Å; F34-F75 AromaticContact CG-CE1 3.8Å; F34-F75 HydrophobicContact CG-CE1 3.8Å; F34-F75 HydrophobicContact CZ-CE1 4.46Å; F34-F75 HydrophobicContact CZ-CZ 4.42Å; I63-F75 HydrophobicContact CD1-CE2 3.81Å; I63-F75 HydrophobicContact CD1-CZ 3.96Å; P73-F75 HydrophobicContact CB-CE2 3.88Å; P73-F75 HydrophobicContact CB-CZ 4.21Å; P73-F75 HydrophobicContact CG-CE2 4.24Å; F75-F132 HydrophobicContact CD1-CE1 4.29Å; F75-F132 AromaticContact CD1-CZ 3.79Å; F75-F132 HydrophobicContact CD1-CZ 3.79Å; F75-F132 HydrophobicContact CD2-CZ 4.38Å; F75-F132 AromaticContact CE1-CZ 3.71Å; F75-F132 HydrophobicContact CE1-CZ 3.71Å; F75-F132 HydrophobicContact CE2-CZ 4.31Å; F75-F132 HydrophobicContact CG-CE1 4.48Å; F75-F132 HydrophobicContact CG-CZ 4.12Å; F75-F132 HydrophobicContact CZ-CE2 4.47Å; F75-F132 AromaticContact CZ-CZ 3.98Å; F75-F132 HydrophobicContact CZ-CZ 3.98Å; F75-L136 HydrophobicContact CB-CD1 4.33Å; F75-L136 HydrophobicContact CD2-CD1 3.69Å; F75-L136 HydrophobicContact CD2-CD2 3.92Å; F75-L136 HydrophobicContact CD2-CG 4.49Å; F75-L136 HydrophobicContact CE2-CD1 4.27Å; F75-L136 HydrophobicContact CE2-CD2 3.66Å; F75-L136 HydrophobicContact CG-CD1 4.13Å; F75-L136 HydrophobicContact CZ-CD2 4.47Å; F75-V141 HydrophobicContact CD2-CG1 3.99Å; F75-V141 HydrophobicContact CE2-CG1 3.86Å; F75-D142 PolarHBondContact N-O 3.2Å; F75-Y143 CarbonylContact O-C 3.13Å; F75-Y143 WeakPolarHBondContact O-CA 3.34Å; F75-Y143 WeakPolarHBondContact O-CB 3.1Å; F75-V144 PolarHBondContact O-N 3.21Å |
| 76 | V | 98.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.4 | 168.7 | -167.3 | 0 | 0 | 0 | 0 | 108.6 | I28 I29 G31 V144 S146 A150 D153 V154 L157 F338 | I28-V76 HydrophobicContact CG2-CG2 3.66Å; I29-V76 PolarHBondContact O-N 2.91Å; G31-V76 WeakPolarHBondContact CA-O 3.36Å; G31-V76 PolarHBondContact N-O 3.41Å; V76-V144 CarbonylContact C-O 3.59Å; V76-V144 WeakPolarHBondContact CA-O 3.33Å; V76-V144 HydrophobicContact CG1-CG1 4.39Å; V76-V144 HydrophobicContact CG2-CG1 4.35Å; V76-S146 VanDerWaalsContact CG1-OG 3.31Å; V76-S146 WeakPolarHBondContact CG1-OG 3.34Å; V76-A150 HydrophobicContact CB-CB 4.24Å; V76-A150 HydrophobicContact CG1-CB 3.79Å; V76-D153 HydrophobicContact CG1-CB 4.23Å; V76-V154 HydrophobicContact CB-CG2 3.59Å; V76-V154 HydrophobicContact CG1-CG2 4.26Å; V76-V154 HydrophobicContact CG2-CG2 3.77Å; V76-L157 HydrophobicContact CG2-CD1 3.84Å; V76-F338 HydrophobicContact CG1-CE2 4.23Å |
| 77 | L | 97.4 | Very high | 89 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 143 | -173.8 | -57.7 | 155.9 | 0 | 0 | 0 | 109.8 | L32 F132 I133 Y143 V144 T145 S146 Y472 | L32-L77 HydrophobicContact CD2-CD2 3.72Å; L32-L77 HydrophobicContact CG-CD2 4.3Å; L77-F132 HydrophobicContact CD2-CE1 4.46Å; L77-I133 HydrophobicContact CD1-CD1 3.4Å; L77-I133 HydrophobicContact CD2-CD1 4.27Å; L77-I133 HydrophobicContact CG-CD1 4.47Å; L77-Y143 HydrophobicContact CD1-CD2 3.71Å; L77-V144 PolarHBondContact N-O 3.43Å; L77-T145 HydrophobicContact CB-CG2 4.28Å; L77-T145 WeakPolarHBondContact O-CA 3.29Å; L77-S146 PolarHBondContact O-N 3.13Å; L77-Y472 HydrophobicContact CB-CD2 4.19Å; L77-Y472 HydrophobicContact CB-CE2 4.32Å; L77-Y472 HydrophobicContact CD1-CD2 3.97Å; L77-Y472 HydrophobicContact CD1-CG 4.36Å |
| 78 | D | 93.4 | Very high | 88.5 | Confident | 31 Ų | 31 | 33.9 Ų | 33.9 | 17% | 0.166 | 16% | 0.162 | C | C | . | . | trans | -62 | 138 | 176 | -57.6 | -52.7 | 0 | 0 | 0 | 111.6 | L32 T145 E149 A150 | L32-D78 HydrophobicContact CD1-CB 3.92Å; L32-D78 WeakPolarHBondContact CD1-OD2 3.31Å; D78-T145 WeakPolarHBondContact O-CG2 3.32Å; D78-E149 WeakPolarHBondContact OD1-CA 3.28Å; D78-A150 WeakPolarHBondContact OD1-CB 3.22Å; D78-A150 PolarHBondContact OD1-N 2.72Å | ||
| 79 | G | 92.1 | Very high | 88.3 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | trans | -89.4 | -130.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S146 S148 P476 | G79-S146 VanDerWaalsContact CA-O 3.31Å; G79-S146 WeakPolarHBondContact CA-O 3.34Å; G79-S148 PolarHBondContact N-O 3.43Å; G79-P476 VanDerWaalsContact C-CB 3.48Å; G79-P476 WeakPolarHBondContact O-CB 3.3Å | ||
| 80 | C | 87.5 | Confident | 88 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.02 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -82.6 | 138 | 179.6 | -49.3 | 0 | 0 | 0 | 0 | 110.7 | D147 S148 V457 D480 | C80-D147 PolarHBondContact N-O 2.89Å; C80-S148 WeakPolarHBondContact O-CA 3.47Å; C80-S148 WeakPolarHBondContact O-CB 3.28Å; C80-V457 HydrophobicContact CB-CG2 4.2Å; C80-D480 WeakPolarHBondContact CA-OD1 3.46Å |
| 81 | H | 80.8 | Confident | 87.7 | Confident | 42 Ų | 42 | 28.8 Ų | 28.8 | 19% | 0.194 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 137.5 | -176.9 | -62.6 | 101 | 0 | 0 | 0 | 111.9 | Q89 E149 D480 S484 | H81-Q89 PolarHBondContact CD2-NE2 3.13Å; H81-Q89 PolarHBondContact NE2-NE2 2.82Å; H81-E149 WeakPolarHBondContact CA-OE1 3.41Å; H81-E149 IonicContact CD2-OE1 3.85Å; H81-D480 IonicContact CE1-OD2 3.29Å; H81-D480 IonicContact CG-OD1 2.73Å; H81-D480 IonicContact CG-OD2 2.88Å; H81-D480 PolarHBondContact N-OD1 3.37Å; H81-D480 IonicContact ND1-OD1 3.78Å; H81-D480 PolarHBondContact ND1-OD1 2.83Å; H81-D480 IonicContact ND1-OD2 2.67Å; H81-D480 PolarHBondContact ND1-OD2 2.62Å; H81-S484 VanDerWaalsContact O-CB 3.24Å; H81-S484 WeakPolarHBondContact O-CB 3.38Å; H81-S484 PolarHBondContact O-OG 3.12Å |
| 82 | D | 73.2 | Confident | 87.4 | Confident | 50 Ų | 50 | 30.6 Ų | 30.6 | 27% | 0.267 | 15% | 0.148 | S | C | . | . | P | Polyproline II helix | trans | -67 | 148.4 | 171.8 | -168.5 | 2.8 | 0 | 0 | 0 | 110.9 | Y84 K85 | D82-Y84 PolarHBondContact O-N 3.38Å; D82-Y84 VanDerWaalsContact O-N 3.1Å; D82-K85 PolarHBondContact O-N 3.27Å |
| 83 | H | 70.6 | Confident | 87.2 | Confident | 69 Ų | 69 | 28 Ų | 28 | 32% | 0.319 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -41.2 | -48 | 177.5 | 161.3 | -127.4 | 0 | 0 | 0 | 112.8 | K85 L86 Y485 | H83-K85 PolarHBondContact O-N 3.07Å; H83-L86 WeakPolarHBondContact O-CB 3.36Å; H83-L86 PolarHBondContact O-N 2.99Å; H83-L86 VanDerWaalsContact O-N 3.14Å; H83-Y485 HydrophobicContact CB-CD2 3.58Å; H83-Y485 HydrophobicContact CB-CE2 3.66Å; H83-Y485 AromaticContact CD2-CD2 3.18Å; H83-Y485 WeakPolarHBondContact CD2-CD2 3.44Å; H83-Y485 AromaticContact CD2-CE2 3.38Å; H83-Y485 WeakPolarHBondContact CD2-CE2 3.31Å; H83-Y485 AromaticContact CD2-CG 3.72Å; H83-Y485 AromaticContact CG-CD2 3.5Å; H83-Y485 VanDerWaalsContact CG-CD2 3.5Å; H83-Y485 AromaticContact CG-CE2 3.41Å; H83-Y485 VanDerWaalsContact CG-CE2 3.41Å |
| 84 | Y | 71.8 | Confident | 86.9 | Confident | 86 Ų | 86 | 29.8 Ų | 29.8 | 34% | 0.337 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -31.4 | -176.5 | -61.5 | -87.6 | 0 | 0 | 0 | 112.5 | D82 L86 Y246 H322 | D82-Y84 PolarHBondContact O-N 3.38Å; D82-Y84 VanDerWaalsContact O-N 3.1Å; Y84-L86 VanDerWaalsContact C-N 3.33Å; Y84-L86 PolarHBondContact O-N 3.25Å; Y84-Y246 HydrophobicContact CD2-CD1 4.19Å; Y84-Y246 HydrophobicContact CG-CD1 4.03Å; Y84-H322 AromaticContact CD2-NE2 3.55Å; Y84-H322 AromaticContact CE2-CD2 3.64Å; Y84-H322 AromaticContact CE2-CE1 3.84Å; Y84-H322 AromaticContact CE2-NE2 3.16Å; Y84-H322 WeakPolarHBondContact CE2-NE2 3.47Å; Y84-H322 AromaticContact CZ-CD2 3.72Å; Y84-H322 AromaticContact CZ-NE2 3.74Å |
| 85 | K | 78.7 | Confident | 86.6 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 2% | 0.022 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -77.5 | -11.1 | 179.8 | -60.7 | -141.9 | -171.8 | -178.5 | 0 | 113.9 | D82 H83 N87 T88 Q89 E149 D245 | D82-K85 PolarHBondContact O-N 3.27Å; H83-K85 PolarHBondContact O-N 3.07Å; K85-N87 PolarHBondContact O-N 2.91Å; K85-T88 CarbonylContact O-C 3.38Å; K85-T88 WeakPolarHBondContact O-CA 3.48Å; K85-T88 WeakPolarHBondContact O-CB 3.38Å; K85-T88 PolarHBondContact O-N 2.86Å; K85-Q89 PolarHBondContact O-N 3.04Å; K85-E149 VanDerWaalsContact CD-CD 3.46Å; K85-E149 HydrophobicContact CD-CG 4.25Å; K85-E149 WeakPolarHBondContact CD-OE1 3.2Å; K85-E149 WeakPolarHBondContact CD-OE2 3.46Å; K85-E149 WeakPolarHBondContact CE-OE2 3.33Å; K85-E149 VanDerWaalsContact NZ-CD 3.33Å; K85-E149 IonicContact NZ-OE2 3.39Å; K85-E149 PolarHBondContact NZ-OE2 3.1Å; K85-D245 HydrophobicContact CD-CB 3.94Å; K85-D245 WeakPolarHBondContact CD-OD2 3.42Å; K85-D245 VanDerWaalsContact CE-OD2 3.24Å; K85-D245 WeakPolarHBondContact CE-OD2 3.31Å; K85-D245 HydrophobicContact CG-CB 4.33Å; K85-D245 IonicContact NZ-OD2 2.99Å; K85-D245 PolarHBondContact NZ-OD2 2.75Å |
| 86 | L | 82.7 | Confident | 86.4 | Confident | 24 Ų | 24 | 36 Ų | 36 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -54.4 | -49.6 | 179.3 | 176.7 | 55.1 | 0 | 0 | 0 | 112.6 | H83 Y84 T88 Q89 V90 V488 Y548 | H83-L86 WeakPolarHBondContact O-CB 3.36Å; H83-L86 PolarHBondContact O-N 2.99Å; H83-L86 VanDerWaalsContact O-N 3.14Å; Y84-L86 VanDerWaalsContact C-N 3.33Å; Y84-L86 PolarHBondContact O-N 3.25Å; L86-T88 VanDerWaalsContact C-N 3.26Å; L86-T88 PolarHBondContact O-N 3.41Å; L86-Q89 PolarHBondContact O-N 3.34Å; L86-V90 HydrophobicContact CD1-CG2 4.31Å; L86-V90 WeakPolarHBondContact O-CG2 3.3Å; L86-V90 PolarHBondContact O-N 3.09Å; L86-V488 HydrophobicContact CD1-CG2 3.52Å; L86-Y548 HydrophobicContact CD1-CD2 4.06Å; L86-Y548 HydrophobicContact CD1-CE2 3.9Å; L86-Y548 HydrophobicContact CD2-CE2 4.05Å; L86-Y548 HydrophobicContact CG-CE2 4.48Å |
| 87 | N | 81.9 | Confident | 86.1 | Confident | 71 Ų | 71 | 36.2 Ų | 36.2 | 38% | 0.38 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59 | -39.1 | 175.9 | -76 | -69.5 | 0 | 0 | 0 | 112.2 | K85 K91 | K85-N87 PolarHBondContact O-N 2.91Å; N87-K91 PolarHBondContact O-N 3.28Å |
| 88 | T | 83.3 | Confident | 85.9 | Confident | 36 Ų | 36 | 40.7 Ų | 40.7 | 22% | 0.221 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.3 | -39.9 | 179.4 | -63.1 | 0 | 0 | 0 | 0 | 111 | K85 L86 K91 R92 | K85-T88 CarbonylContact O-C 3.38Å; K85-T88 WeakPolarHBondContact O-CA 3.48Å; K85-T88 WeakPolarHBondContact O-CB 3.38Å; K85-T88 PolarHBondContact O-N 2.86Å; L86-T88 VanDerWaalsContact C-N 3.26Å; L86-T88 PolarHBondContact O-N 3.41Å; T88-K91 PolarHBondContact O-N 2.92Å; T88-R92 VanDerWaalsContact CG2-CZ 3.41Å; T88-R92 WeakPolarHBondContact O-CB 3.45Å; T88-R92 VanDerWaalsContact O-CG 3.24Å; T88-R92 WeakPolarHBondContact O-CG 3.26Å; T88-R92 PolarHBondContact O-N 3.43Å |
| 89 | Q | 87.8 | Confident | 85.9 | Confident | 32 Ų | 32 | 41.3 Ų | 41.3 | 15% | 0.15 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.2 | -40.7 | 174.5 | -65.3 | -62.5 | 17.4 | 0 | 0 | 112.4 | H81 K85 L86 K91 R92 N93 V488 | H81-Q89 PolarHBondContact CD2-NE2 3.13Å; H81-Q89 PolarHBondContact NE2-NE2 2.82Å; K85-Q89 PolarHBondContact O-N 3.04Å; L86-Q89 PolarHBondContact O-N 3.34Å; Q89-K91 VanDerWaalsContact C-N 3.34Å; Q89-K91 PolarHBondContact O-N 2.9Å; Q89-R92 PolarHBondContact O-N 3.36Å; Q89-R92 VanDerWaalsContact OE1-CD 3.26Å; Q89-N93 VanDerWaalsContact O-CB 3.3Å; Q89-N93 WeakPolarHBondContact O-CB 3.2Å; Q89-N93 PolarHBondContact O-N 3.25Å; Q89-V488 HydrophobicContact CB-CB 4.1Å; Q89-V488 HydrophobicContact CB-CG1 4.43Å; Q89-V488 HydrophobicContact CB-CG2 3.9Å |
| 90 | V | 89.1 | Confident | 86 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.9 | -42.1 | 172.7 | 176.5 | 0 | 0 | 0 | 0 | 111 | L86 N93 H94 L422 V488 Y548 I556 | L86-V90 HydrophobicContact CD1-CG2 4.31Å; L86-V90 WeakPolarHBondContact O-CG2 3.3Å; L86-V90 PolarHBondContact O-N 3.09Å; V90-N93 PolarHBondContact O-N 2.9Å; V90-H94 PolarHBondContact O-CD2 2.88Å; V90-H94 VanDerWaalsContact O-CD2 3.29Å; V90-H94 PolarHBondContact O-N 3.48Å; V90-L422 HydrophobicContact CB-CD1 4.46Å; V90-L422 HydrophobicContact CG1-CD1 3.93Å; V90-L422 HydrophobicContact CG1-CD2 4.47Å; V90-V488 HydrophobicContact CG2-CG1 4.36Å; V90-V488 HydrophobicContact CG2-CG2 3.76Å; V90-Y548 HydrophobicContact CG2-CD1 4.03Å; V90-Y548 HydrophobicContact CG2-CE1 4.47Å; V90-Y548 HydrophobicContact CG2-CG 4.33Å; V90-I556 HydrophobicContact CG1-CD1 4.17Å |
| 91 | K | 87.9 | Confident | 86.3 | Confident | 76 Ų | 76 | 45.3 Ų | 45.3 | 33% | 0.33 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.1 | -44.5 | 175.3 | -172.9 | 164.9 | -173.1 | 163.5 | 0 | 112.8 | N87 T88 Q89 N93 H94 Q95 E418 | N87-K91 PolarHBondContact O-N 3.28Å; T88-K91 PolarHBondContact O-N 2.92Å; Q89-K91 VanDerWaalsContact C-N 3.34Å; Q89-K91 PolarHBondContact O-N 2.9Å; K91-N93 VanDerWaalsContact C-N 3.28Å; K91-N93 PolarHBondContact O-N 3.46Å; K91-H94 PolarHBondContact O-N 3.31Å; K91-Q95 WeakPolarHBondContact O-CG 3.48Å; K91-Q95 PolarHBondContact O-N 3.4Å; K91-Q95 VanDerWaalsContact O-N 3.1Å; K91-E418 PolarHBondContact NZ-O 2.75Å |
| 92 | R | 88.6 | Confident | 86.9 | Confident | 44 Ų | 44 | 47.8 Ų | 47.8 | 17% | 0.166 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.5 | -40 | 173.7 | -72.8 | 166.9 | -176.5 | 167 | 6.4 | 110.9 | T88 Q89 Q95 R96 D245 | T88-R92 VanDerWaalsContact CG2-CZ 3.41Å; T88-R92 WeakPolarHBondContact O-CB 3.45Å; T88-R92 VanDerWaalsContact O-CG 3.24Å; T88-R92 WeakPolarHBondContact O-CG 3.26Å; T88-R92 PolarHBondContact O-N 3.43Å; Q89-R92 PolarHBondContact O-N 3.36Å; Q89-R92 VanDerWaalsContact OE1-CD 3.26Å; R92-Q95 WeakPolarHBondContact O-CB 3.21Å; R92-Q95 PolarHBondContact O-N 3.1Å; R92-R96 WeakPolarHBondContact O-CG 3.18Å; R92-R96 PolarHBondContact O-N 3.45Å; R92-D245 IonicContact CZ-OD2 3.76Å; R92-D245 IonicContact NH1-OD2 2.83Å; R92-D245 IonicContact NH2-OD1 3.49Å; R92-D245 PolarHBondContact NH2-OD1 2.98Å; R92-D245 IonicContact NH2-OD2 2.77Å; R92-D245 PolarHBondContact NH2-OD2 3.44Å |
| 93 | N | 91.5 | Very high | 87.9 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70 | -41 | 179.4 | -161.5 | 19.5 | 0 | 0 | 0 | 112.7 | Q89 V90 K91 Q95 R96 M97 V488 F489 C491 I556 | Q89-N93 VanDerWaalsContact O-CB 3.3Å; Q89-N93 WeakPolarHBondContact O-CB 3.2Å; Q89-N93 PolarHBondContact O-N 3.25Å; V90-N93 PolarHBondContact O-N 2.9Å; K91-N93 VanDerWaalsContact C-N 3.28Å; K91-N93 PolarHBondContact O-N 3.46Å; N93-Q95 VanDerWaalsContact C-N 3.3Å; N93-Q95 PolarHBondContact O-N 3.4Å; N93-R96 WeakPolarHBondContact O-CB 3.42Å; N93-R96 PolarHBondContact O-N 3.05Å; N93-R96 VanDerWaalsContact O-N 3.11Å; N93-M97 WeakPolarHBondContact O-CG 3.31Å; N93-M97 PolarHBondContact O-N 3.17Å; N93-V488 HydrophobicContact CB-CG1 3.89Å; N93-V488 WeakPolarHBondContact ND2-CG1 3.28Å; N93-F489 PolarHBondContact ND2-O 2.92Å; N93-C491 VanDerWaalsContact OD1-CB 3.31Å; N93-C491 WeakPolarHBondContact OD1-CB 3.13Å; N93-C491 PolarHBondContact OD1-N 2.95Å; N93-I556 HydrophobicContact CB-CD1 3.68Å |
| 94 | H | 91.8 | Very high | 88.9 | Confident | 41 Ų | 41 | 42.8 Ų | 42.8 | 19% | 0.19 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.2 | -40.7 | 170.5 | -82.6 | -66 | 0 | 0 | 0 | 112.4 | V90 K91 R96 M97 Q98 | V90-H94 PolarHBondContact O-CD2 2.88Å; V90-H94 VanDerWaalsContact O-CD2 3.29Å; V90-H94 PolarHBondContact O-N 3.48Å; K91-H94 PolarHBondContact O-N 3.31Å; H94-R96 VanDerWaalsContact C-N 3.34Å; H94-R96 PolarHBondContact O-N 3.42Å; H94-M97 PolarHBondContact O-N 3.07Å; H94-Q98 WeakPolarHBondContact O-CG 3.2Å; H94-Q98 PolarHBondContact O-N 3.13Å |
| 95 | Q | 91.8 | Very high | 89.9 | Confident | 85 Ų | 85 | 41.4 Ų | 41.4 | 40% | 0.397 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.5 | -40 | 174.5 | -70.2 | 173.9 | -39.9 | 0 | 0 | 111.6 | K91 R92 N93 M97 Q98 T99 | K91-Q95 WeakPolarHBondContact O-CG 3.48Å; K91-Q95 PolarHBondContact O-N 3.4Å; K91-Q95 VanDerWaalsContact O-N 3.1Å; R92-Q95 WeakPolarHBondContact O-CB 3.21Å; R92-Q95 PolarHBondContact O-N 3.1Å; N93-Q95 VanDerWaalsContact C-N 3.3Å; N93-Q95 PolarHBondContact O-N 3.4Å; Q95-M97 PolarHBondContact O-N 3.07Å; Q95-Q98 WeakPolarHBondContact O-CB 3.41Å; Q95-Q98 PolarHBondContact O-N 3.49Å; Q95-T99 PolarHBondContact O-N 3.16Å; Q95-T99 PolarHBondContact O-OG1 2.98Å |
| 96 | R | 93.5 | Very high | 90.7 | Very high | 46 Ų | 46 | 43.8 Ų | 43.8 | 17% | 0.174 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 174.4 | -69.2 | -179.8 | 61.5 | 118 | -4.2 | 112.7 | R92 N93 H94 Q98 T99 C100 L123 L124 C491 | R92-R96 WeakPolarHBondContact O-CG 3.18Å; R92-R96 PolarHBondContact O-N 3.45Å; N93-R96 WeakPolarHBondContact O-CB 3.42Å; N93-R96 PolarHBondContact O-N 3.05Å; N93-R96 VanDerWaalsContact O-N 3.11Å; H94-R96 VanDerWaalsContact C-N 3.34Å; H94-R96 PolarHBondContact O-N 3.42Å; R96-Q98 VanDerWaalsContact C-N 3.32Å; R96-Q98 PolarHBondContact O-N 3.04Å; R96-T99 PolarHBondContact O-N 3.47Å; R96-C100 PolarHBondContact O-N 3.18Å; R96-L123 HydrophobicContact CB-CD2 3.64Å; R96-L123 HydrophobicContact CG-CD2 3.6Å; R96-L124 PolarHBondContact NH2-O 2.86Å; R96-C491 HydrophobicContact CB-CB 4.3Å; R96-C491 VanDerWaalsContact CZ-O 3.3Å; R96-C491 PolarHBondContact NE-O 3.19Å; R96-C491 PolarHBondContact NH2-O 2.93Å |
| 97 | M | 92.9 | Very high | 91.1 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.1 | -36.4 | 173.5 | -67.7 | 169.8 | 64 | 0 | 0 | 112.1 | N93 H94 Q95 C100 R101 C491 R550 F554 I556 | N93-M97 WeakPolarHBondContact O-CG 3.31Å; N93-M97 PolarHBondContact O-N 3.17Å; H94-M97 PolarHBondContact O-N 3.07Å; Q95-M97 PolarHBondContact O-N 3.07Å; M97-C100 PolarHBondContact O-N 2.71Å; M97-R101 WeakPolarHBondContact O-CB 3.3Å; M97-R101 PolarHBondContact O-N 3.28Å; M97-C491 HydrophobicContact CG-CB 3.62Å; M97-C491 VanDerWaalsContact CG-SG 3.57Å; M97-R550 HydrophobicContact CE-CB 4.32Å; M97-R550 HydrophobicContact CE-CG 3.83Å; M97-F554 VanDerWaalsContact CE-C 3.42Å; M97-F554 WeakPolarHBondContact CE-O 3.17Å; M97-I556 HydrophobicContact CE-CG1 4.38Å; M97-I556 HydrophobicContact SD-CD1 3.94Å; M97-I556 HydrophobicContact SD-CG1 3.51Å; M97-I556 VanDerWaalsContact SD-CG1 3.51Å |
| 98 | Q | 93.1 | Very high | 91.5 | Very high | 93 Ų | 93 | 47.8 Ų | 47.8 | 44% | 0.435 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65 | -44.1 | 172.4 | -70.5 | 172.3 | -12.3 | 0 | 0 | 112 | H94 Q95 R96 C100 R101 L102 | H94-Q98 WeakPolarHBondContact O-CG 3.2Å; H94-Q98 PolarHBondContact O-N 3.13Å; Q95-Q98 WeakPolarHBondContact O-CB 3.41Å; Q95-Q98 PolarHBondContact O-N 3.49Å; R96-Q98 VanDerWaalsContact C-N 3.32Å; R96-Q98 PolarHBondContact O-N 3.04Å; Q98-C100 PolarHBondContact O-N 2.85Å; Q98-R101 WeakPolarHBondContact O-CB 3.42Å; Q98-R101 PolarHBondContact O-N 3.46Å; Q98-L102 WeakPolarHBondContact O-CG 3.31Å; Q98-L102 PolarHBondContact O-N 3.46Å |
| 99 | T | 94 | Very high | 91.9 | Very high | 44 Ų | 44 | 51.5 Ų | 51.5 | 27% | 0.27 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 175.1 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | Q95 R96 L102 L103 I121 L123 | Q95-T99 PolarHBondContact O-N 3.16Å; Q95-T99 PolarHBondContact O-OG1 2.98Å; R96-T99 PolarHBondContact O-N 3.47Å; T99-L102 PolarHBondContact O-N 3.02Å; T99-L103 PolarHBondContact O-N 2.79Å; T99-I121 HydrophobicContact CG2-CB 3.91Å; T99-I121 HydrophobicContact CG2-CD1 4.19Å; T99-I121 HydrophobicContact CG2-CG2 4.27Å; T99-L123 HydrophobicContact CG2-CD1 4.41Å; T99-L123 HydrophobicContact CG2-CD2 4.19Å; T99-L123 HydrophobicContact CG2-CG 3.98Å |
| 100 | C | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.5 | -42 | 174.2 | -170.9 | 0 | 0 | 0 | 0 | 111.2 | R96 M97 Q98 L102 L103 L104 L123 L496 | R96-C100 PolarHBondContact O-N 3.18Å; M97-C100 PolarHBondContact O-N 2.71Å; Q98-C100 PolarHBondContact O-N 2.85Å; C100-L102 VanDerWaalsContact C-N 3.29Å; C100-L102 PolarHBondContact O-N 2.6Å; C100-L103 WeakPolarHBondContact O-CB 3.42Å; C100-L103 PolarHBondContact O-N 3.43Å; C100-L103 VanDerWaalsContact O-N 3.11Å; C100-L104 WeakPolarHBondContact O-CG 3.37Å; C100-L104 PolarHBondContact O-N 3.05Å; C100-L123 HydrophobicContact CB-CD1 3.86Å; C100-L496 HydrophobicContact CB-CD1 3.98Å |
| 101 | R | 93.2 | Very high | 91.5 | Very high | 90 Ų | 90 | 61.4 Ų | 61.4 | 34% | 0.34 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.3 | -39.2 | 174.3 | -172.2 | 177.4 | 70.6 | 167.3 | 3.1 | 112.8 | M97 Q98 L104 N105 F554 | M97-R101 WeakPolarHBondContact O-CB 3.3Å; M97-R101 PolarHBondContact O-N 3.28Å; Q98-R101 WeakPolarHBondContact O-CB 3.42Å; Q98-R101 PolarHBondContact O-N 3.46Å; R101-L104 PolarHBondContact O-N 3.36Å; R101-N105 PolarHBondContact O-N 3.32Å; R101-N105 PolarHBondContact O-ND2 2.85Å; R101-F554 HydrophobicContact CB-CE1 3.76Å; R101-F554 HydrophobicContact CB-CZ 4.33Å; R101-F554 VanDerWaalsContact CD-CE1 3.46Å; R101-F554 HydrophobicContact CG-CE1 3.61Å; R101-F554 HydrophobicContact CG-CZ 3.69Å |
| 102 | L | 93 | Very high | 91.7 | Very high | 95 Ų | 95 | 60.1 Ų | 60.1 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 175.2 | -68.2 | 171.8 | 0 | 0 | 0 | 111.4 | Q98 T99 C100 L104 N105 H106 | Q98-L102 WeakPolarHBondContact O-CG 3.31Å; Q98-L102 PolarHBondContact O-N 3.46Å; T99-L102 PolarHBondContact O-N 3.02Å; C100-L102 VanDerWaalsContact C-N 3.29Å; C100-L102 PolarHBondContact O-N 2.6Å; L102-L104 PolarHBondContact O-N 3.05Å; L102-N105 PolarHBondContact O-N 2.68Å; L102-H106 PolarHBondContact O-CD2 3.45Å; L102-H106 PolarHBondContact O-N 3.35Å |
| 103 | L | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 173.7 | 173.5 | 61.6 | 0 | 0 | 0 | 111.8 | Q47 T99 C100 N105 H106 I107 Y119 I121 I493 L707 | Q47-L103 HydrophobicContact CB-CD2 4.47Å; T99-L103 PolarHBondContact O-N 2.79Å; C100-L103 WeakPolarHBondContact O-CB 3.42Å; C100-L103 PolarHBondContact O-N 3.43Å; C100-L103 VanDerWaalsContact O-N 3.11Å; L103-N105 VanDerWaalsContact C-N 3.3Å; L103-N105 PolarHBondContact O-N 2.98Å; L103-H106 PolarHBondContact O-N 3.37Å; L103-H106 VanDerWaalsContact O-N 3.08Å; L103-I107 HydrophobicContact CD1-CD1 4.06Å; L103-I107 HydrophobicContact CD1-CG1 4.08Å; L103-I107 HydrophobicContact CG-CD1 3.95Å; L103-I107 HydrophobicContact CG-CG1 4.41Å; L103-I107 WeakPolarHBondContact O-CG1 3.49Å; L103-I107 PolarHBondContact O-N 3.4Å; L103-Y119 HydrophobicContact CD1-CD1 3.77Å; L103-Y119 HydrophobicContact CD1-CG 4.01Å; L103-I121 HydrophobicContact CB-CD1 3.97Å; L103-I121 HydrophobicContact CB-CG2 4.26Å; L103-I121 HydrophobicContact CD2-CD1 3.61Å; L103-I121 HydrophobicContact CD2-CG1 4.23Å; L103-I121 HydrophobicContact CG-CD1 4.39Å; L103-I493 HydrophobicContact CD2-CD1 4.13Å; L103-I493 HydrophobicContact CD2-CG2 3.86Å; L103-L707 HydrophobicContact CD1-CD2 4.02Å |
| 104 | L | 92.7 | Very high | 91.8 | Very high | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 178.4 | -58.4 | -170.2 | 0 | 0 | 0 | 112.2 | C100 R101 L102 I107 K108 L496 Y497 I709 | C100-L104 WeakPolarHBondContact O-CG 3.37Å; C100-L104 PolarHBondContact O-N 3.05Å; R101-L104 PolarHBondContact O-N 3.36Å; L102-L104 PolarHBondContact O-N 3.05Å; L104-I107 HydrophobicContact CD2-CD1 4.4Å; L104-I107 PolarHBondContact O-N 2.9Å; L104-K108 VanDerWaalsContact O-CB 3.31Å; L104-K108 WeakPolarHBondContact O-CB 3.28Å; L104-K108 PolarHBondContact O-N 3.32Å; L104-L496 HydrophobicContact CD1-CB 3.9Å; L104-L496 HydrophobicContact CD1-CD1 3.99Å; L104-L496 HydrophobicContact CD1-CG 3.9Å; L104-Y497 HydrophobicContact CB-CE2 4.05Å; L104-Y497 HydrophobicContact CD1-CD2 3.72Å; L104-Y497 HydrophobicContact CD1-CE2 3.58Å; L104-Y497 HydrophobicContact CG-CE2 4.47Å; L104-I709 HydrophobicContact CD2-CB 4.18Å; L104-I709 HydrophobicContact CD2-CD1 3.53Å; L104-I709 HydrophobicContact CD2-CG1 3.51Å |
| 105 | N | 93 | Very high | 91.9 | Very high | 57 Ų | 57 | 61.6 Ų | 61.6 | 31% | 0.305 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 174.1 | -75.2 | -24.6 | 0 | 0 | 0 | 112 | R101 L102 L103 K108 N109 | R101-N105 PolarHBondContact O-N 3.32Å; R101-N105 PolarHBondContact O-ND2 2.85Å; L102-N105 PolarHBondContact O-N 2.68Å; L103-N105 VanDerWaalsContact C-N 3.3Å; L103-N105 PolarHBondContact O-N 2.98Å; N105-K108 PolarHBondContact O-N 3.11Å; N105-N109 VanDerWaalsContact O-CB 3.26Å; N105-N109 WeakPolarHBondContact O-CB 3.32Å; N105-N109 PolarHBondContact O-N 2.95Å; N105-N109 PolarHBondContact O-ND2 3.48Å |
| 106 | H | 93.8 | Very high | 92 | Very high | 55 Ų | 55 | 61 Ų | 61 | 26% | 0.255 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 176.7 | -68.7 | -56.3 | 0 | 0 | 0 | 112.9 | L102 L103 H110 L118 Y119 | L102-H106 PolarHBondContact O-CD2 3.45Å; L102-H106 PolarHBondContact O-N 3.35Å; L103-H106 PolarHBondContact O-N 3.37Å; L103-H106 VanDerWaalsContact O-N 3.08Å; H106-H110 AromaticContact ND1-CD2 3.75Å; H106-H110 AromaticContact ND1-NE2 3.47Å; H106-H110 PolarHBondContact ND1-NE2 2.91Å; H106-H110 PolarHBondContact O-CD2 3.09Å; H106-H110 VanDerWaalsContact O-CD2 3.27Å; H106-H110 PolarHBondContact O-N 2.84Å; H106-H110 VanDerWaalsContact O-N 3.16Å; H106-L118 HydrophobicContact CB-CD2 4.32Å; H106-L118 HydrophobicContact CB-CG 4.22Å; H106-Y119 HydrophobicContact CB-CD1 4.03Å; H106-Y119 HydrophobicContact CB-CE1 3.79Å; H106-Y119 PolarHBondContact O-OH 2.98Å |
| 107 | I | 92.2 | Very high | 91.9 | Very high | 24 Ų | 24 | 62.4 Ų | 62.4 | 12% | 0.123 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.8 | -54.3 | 173.9 | -66.1 | 169.3 | 0 | 0 | 0 | 109.4 | L103 L104 N109 K111 Y119 L707 | L103-I107 HydrophobicContact CD1-CD1 4.06Å; L103-I107 HydrophobicContact CD1-CG1 4.08Å; L103-I107 HydrophobicContact CG-CD1 3.95Å; L103-I107 HydrophobicContact CG-CG1 4.41Å; L103-I107 WeakPolarHBondContact O-CG1 3.49Å; L103-I107 PolarHBondContact O-N 3.4Å; L104-I107 HydrophobicContact CD2-CD1 4.4Å; L104-I107 PolarHBondContact O-N 2.9Å; I107-N109 VanDerWaalsContact C-N 3.34Å; I107-N109 PolarHBondContact O-N 2.77Å; I107-K111 PolarHBondContact O-N 2.73Å; I107-Y119 HydrophobicContact CG1-CD1 4.32Å; I107-Y119 HydrophobicContact CG1-CE1 4.06Å; I107-L707 HydrophobicContact CD1-CB 4.29Å; I107-L707 HydrophobicContact CD1-CD2 3.77Å; I107-L707 HydrophobicContact CD1-CG 4.08Å; I107-L707 HydrophobicContact CG1-CB 4.22Å; I107-L707 HydrophobicContact CG1-CD2 4Å; I107-L707 HydrophobicContact CG1-CG 4.44Å; I107-L707 WeakPolarHBondContact CG2-O 3.45Å |
| 108 | K | 90.2 | Very high | 91.9 | Very high | 156 Ų | 156 | 65.3 Ų | 65.3 | 68% | 0.678 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -57.5 | -42.3 | -178.3 | -177.1 | 174.8 | -179.2 | 174.1 | 0 | 113.2 | L104 N105 | L104-K108 VanDerWaalsContact O-CB 3.31Å; L104-K108 WeakPolarHBondContact O-CB 3.28Å; L104-K108 PolarHBondContact O-N 3.32Å; N105-K108 PolarHBondContact O-N 3.11Å |
| 109 | N | 90.9 | Very high | 91.9 | Very high | 113 Ų | 113 | 60.9 Ų | 60.9 | 60% | 0.604 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -87.1 | -29.7 | -170.3 | -67.3 | -14.9 | 0 | 0 | 0 | 114.3 | N105 I107 | N105-N109 VanDerWaalsContact O-CB 3.26Å; N105-N109 WeakPolarHBondContact O-CB 3.32Å; N105-N109 PolarHBondContact O-N 2.95Å; N105-N109 PolarHBondContact O-ND2 3.48Å; I107-N109 VanDerWaalsContact C-N 3.34Å; I107-N109 PolarHBondContact O-N 2.77Å |
| 110 | H | 86.7 | Confident | 91.8 | Very high | 89 Ų | 89 | 62.8 Ų | 62.8 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -113.5 | -21.5 | -168.8 | -54.6 | -74 | 0 | 0 | 0 | 115.8 | H106 L112 L118 | H106-H110 AromaticContact ND1-CD2 3.75Å; H106-H110 AromaticContact ND1-NE2 3.47Å; H106-H110 PolarHBondContact ND1-NE2 2.91Å; H106-H110 PolarHBondContact O-CD2 3.09Å; H106-H110 VanDerWaalsContact O-CD2 3.27Å; H106-H110 PolarHBondContact O-N 2.84Å; H106-H110 VanDerWaalsContact O-N 3.16Å; H110-L112 VanDerWaalsContact C-N 3.31Å; H110-L112 HydrophobicContact CB-CD1 3.65Å; H110-L112 HydrophobicContact CB-CD2 4.13Å; H110-L112 HydrophobicContact CB-CG 3.56Å; H110-L112 WeakPolarHBondContact O-CD2 3.47Å; H110-L112 PolarHBondContact O-N 3.07Å; H110-L118 VanDerWaalsContact CD2-CD2 3.45Å; H110-L118 WeakPolarHBondContact CD2-CD2 3.38Å |
| 111 | K | 83.3 | Confident | 91.6 | Very high | 159 Ų | 159 | 64.1 Ų | 64.1 | 69% | 0.691 | 32% | 0.322 | S | S | * | . | trans | 48 | 45.8 | 179.7 | -60.2 | -173.2 | 179 | -177.1 | 0 | 114.5 | I107 T706 | I107-K111 PolarHBondContact O-N 2.73Å; K111-T706 HydrophobicContact CB-CG2 4.15Å; K111-T706 WeakPolarHBondContact O-CG2 3.33Å | ||
| 112 | L | 90.7 | Very high | 91.5 | Very high | 49 Ų | 49 | 67.3 Ų | 67.3 | 26% | 0.257 | 34% | 0.341 | S | S | . | . | trans | -87.6 | 172.2 | -174.3 | -54.4 | 171.4 | 0 | 0 | 0 | 112 | H110 H116 L118 Y119 | H110-L112 VanDerWaalsContact C-N 3.31Å; H110-L112 HydrophobicContact CB-CD1 3.65Å; H110-L112 HydrophobicContact CB-CD2 4.13Å; H110-L112 HydrophobicContact CB-CG 3.56Å; H110-L112 WeakPolarHBondContact O-CD2 3.47Å; H110-L112 PolarHBondContact O-N 3.07Å; L112-H116 HydrophobicContact CB-CB 3.88Å; L112-H116 HydrophobicContact CD1-CB 4.29Å; L112-H116 WeakPolarHBondContact CD1-ND1 3.45Å; L112-L118 HydrophobicContact CD1-CD2 4.08Å; L112-Y119 HydrophobicContact CB-CE2 3.89Å; L112-Y119 PolarHBondContact N-OH 3.38Å | ||
| 113 | S | 91.1 | Very high | 91.5 | Very high | 64 Ų | 64 | 62.9 Ų | 62.9 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | trans | -51 | 140.9 | 168.6 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | I115 H116 Y119 | S113-I115 PolarHBondContact O-N 3.03Å; S113-H116 VanDerWaalsContact O-CB 3.25Å; S113-H116 WeakPolarHBondContact O-CB 3.12Å; S113-H116 PolarHBondContact O-N 3.48Å; S113-Y119 WeakPolarHBondContact O-CE2 3.45Å | ||
| 114 | P | 92.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -28 | -177.6 | -23.8 | 31.5 | 0 | 0 | 0 | 114.6 | F48 N705 L707 | F48-P114 HydrophobicContact CE1-CB 3.8Å; F48-P114 HydrophobicContact CZ-CB 3.67Å; F48-P114 WeakPolarHBondContact CZ-O 3.44Å; P114-N705 WeakPolarHBondContact CG-OD1 3.48Å; P114-L707 HydrophobicContact CB-CB 4.44Å; P114-L707 HydrophobicContact CB-CD1 3.99Å |
| 115 | I | 93.1 | Very high | 91.7 | Very high | 54 Ų | 54 | 63.3 Ų | 63.3 | 28% | 0.277 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 12.5 | -179.1 | 61.5 | 168 | 0 | 0 | 0 | 113.6 | Y45 F48 S113 Y762 | Y45-I115 HydrophobicContact CD2-CG2 4.3Å; Y45-I115 HydrophobicContact CE2-CB 4.34Å; Y45-I115 HydrophobicContact CE2-CG2 3.62Å; F48-I115 HydrophobicContact CE2-CG2 4.19Å; F48-I115 HydrophobicContact CZ-CG2 4.12Å; S113-I115 PolarHBondContact O-N 3.03Å; I115-Y762 HydrophobicContact CG2-CD2 3.8Å; I115-Y762 HydrophobicContact CG2-CE2 3.52Å |
| 116 | H | 93.9 | Very high | 91.8 | Very high | 73 Ų | 73 | 61.3 Ų | 61.3 | 34% | 0.338 | 31% | 0.31 | S | S | . | . | trans | -66.2 | 136.3 | 179.5 | -172 | -84.1 | 0 | 0 | 0 | 111.2 | L112 S113 L118 Y119 | L112-H116 HydrophobicContact CB-CB 3.88Å; L112-H116 HydrophobicContact CD1-CB 4.29Å; L112-H116 WeakPolarHBondContact CD1-ND1 3.45Å; S113-H116 VanDerWaalsContact O-CB 3.25Å; S113-H116 WeakPolarHBondContact O-CB 3.12Å; S113-H116 PolarHBondContact O-N 3.48Å; H116-L118 VanDerWaalsContact ND1-CB 3.27Å; H116-L118 WeakPolarHBondContact ND1-CB 3.31Å; H116-L118 PolarHBondContact ND1-N 2.92Å; H116-L118 PolarHBondContact O-N 2.94Å; H116-L118 VanDerWaalsContact O-N 3.1Å; H116-Y119 HydrophobicContact CB-CD2 4.25Å; H116-Y119 HydrophobicContact CB-CE2 4.41Å; H116-Y119 WeakPolarHBondContact O-CB 3.36Å; H116-Y119 PolarHBondContact O-N 3.4Å | ||
| 117 | S | 91.7 | Very high | 91.9 | Very high | 75 Ų | 75 | 58.7 Ų | 58.7 | 52% | 0.524 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -56.3 | -32.3 | -172.4 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | Y119 N120 | S117-Y119 PolarHBondContact O-N 3.45Å; S117-Y119 VanDerWaalsContact O-N 3.09Å; S117-N120 WeakPolarHBondContact O-CB 3.33Å; S117-N120 PolarHBondContact O-N 3.14Å |
| 118 | L | 92.7 | Very high | 92.1 | Very high | 64 Ų | 64 | 57.6 Ų | 57.6 | 34% | 0.335 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -58.1 | -16.4 | 173 | -168.1 | 63.3 | 0 | 0 | 0 | 114.4 | H106 H110 L112 H116 | H106-L118 HydrophobicContact CB-CD2 4.32Å; H106-L118 HydrophobicContact CB-CG 4.22Å; H110-L118 VanDerWaalsContact CD2-CD2 3.45Å; H110-L118 WeakPolarHBondContact CD2-CD2 3.38Å; L112-L118 HydrophobicContact CD1-CD2 4.08Å; H116-L118 VanDerWaalsContact ND1-CB 3.27Å; H116-L118 WeakPolarHBondContact ND1-CB 3.31Å; H116-L118 PolarHBondContact ND1-N 2.92Å; H116-L118 PolarHBondContact O-N 2.94Å; H116-L118 VanDerWaalsContact O-N 3.1Å |
| 119 | Y | 93.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -96 | -6.2 | 176 | -58.6 | -28.7 | 0 | 0 | 0 | 113.5 | Q47 L103 H106 I107 L112 S113 H116 S117 I121 L707 | Q47-Y119 WeakPolarHBondContact CB-O 3.37Å; L103-Y119 HydrophobicContact CD1-CD1 3.77Å; L103-Y119 HydrophobicContact CD1-CG 4.01Å; H106-Y119 HydrophobicContact CB-CD1 4.03Å; H106-Y119 HydrophobicContact CB-CE1 3.79Å; H106-Y119 PolarHBondContact O-OH 2.98Å; I107-Y119 HydrophobicContact CG1-CD1 4.32Å; I107-Y119 HydrophobicContact CG1-CE1 4.06Å; L112-Y119 HydrophobicContact CB-CE2 3.89Å; L112-Y119 PolarHBondContact N-OH 3.38Å; S113-Y119 WeakPolarHBondContact O-CE2 3.45Å; H116-Y119 HydrophobicContact CB-CD2 4.25Å; H116-Y119 HydrophobicContact CB-CE2 4.41Å; H116-Y119 WeakPolarHBondContact O-CB 3.36Å; H116-Y119 PolarHBondContact O-N 3.4Å; S117-Y119 PolarHBondContact O-N 3.45Å; S117-Y119 VanDerWaalsContact O-N 3.09Å; Y119-I121 PolarHBondContact O-N 2.88Å; Y119-L707 HydrophobicContact CD2-CB 4.12Å; Y119-L707 HydrophobicContact CD2-CD2 3.78Å; Y119-L707 HydrophobicContact CE2-CB 4.09Å; Y119-L707 HydrophobicContact CE2-CD2 4.46Å; Y119-L707 HydrophobicContact CG-CD2 3.84Å |
| 120 | N | 90.7 | Very high | 92.7 | Very high | 84 Ų | 84 | 46.5 Ų | 46.5 | 45% | 0.449 | 24% | 0.242 | S | C | . | . | trans | -70.9 | 124 | 174.9 | -63.4 | -5.8 | 0 | 0 | 0 | 109.6 | Q47 S117 | Q47-N120 PolarHBondContact NE2-OD1 2.88Å; S117-N120 WeakPolarHBondContact O-CB 3.33Å; S117-N120 PolarHBondContact O-N 3.14Å | ||
| 121 | I | 91.3 | Very high | 93.1 | Very high | 27 Ų | 27 | 42.3 Ų | 42.3 | 14% | 0.138 | 22% | 0.222 | C | C | . | . | trans | -137.6 | 150.3 | 179.3 | 60.1 | 168 | 0 | 0 | 0 | 112.2 | A46 T99 L103 Y119 L123 I493 | A46-I121 VanDerWaalsContact CB-O 3.24Å; A46-I121 WeakPolarHBondContact CB-O 3.47Å; T99-I121 HydrophobicContact CG2-CB 3.91Å; T99-I121 HydrophobicContact CG2-CD1 4.19Å; T99-I121 HydrophobicContact CG2-CG2 4.27Å; L103-I121 HydrophobicContact CB-CD1 3.97Å; L103-I121 HydrophobicContact CB-CG2 4.26Å; L103-I121 HydrophobicContact CD2-CD1 3.61Å; L103-I121 HydrophobicContact CD2-CG1 4.23Å; L103-I121 HydrophobicContact CG-CD1 4.39Å; Y119-I121 PolarHBondContact O-N 2.88Å; I121-L123 HydrophobicContact CD1-CB 4.22Å; I121-L123 HydrophobicContact CD1-CD1 3.62Å; I121-L123 HydrophobicContact CD1-CG 3.82Å; I121-L123 HydrophobicContact CG1-CB 4.45Å; I121-L123 HydrophobicContact CG1-CG 4.37Å; I121-L123 PolarHBondContact O-N 3.39Å; I121-I493 HydrophobicContact CD1-CD1 3.77Å; I121-I493 HydrophobicContact CD1-CG1 4.09Å; I121-I493 HydrophobicContact CG1-CD1 4.04Å | ||
| 122 | E | 90.7 | Very high | 93.8 | Very high | 157 Ų | 157 | 34.7 Ų | 34.7 | 73% | 0.734 | 19% | 0.189 | S | C | * | . | trans | -82.2 | 56.1 | -178.9 | -65.2 | 173.5 | -176.3 | 0 | 0 | 112.1 | F40 | F40-E122 HydrophobicContact CD1-CB 4.42Å; F40-E122 HydrophobicContact CD1-CG 4.41Å; F40-E122 HydrophobicContact CE1-CB 4.21Å; F40-E122 HydrophobicContact CZ-CB 4.32Å | ||
| 123 | L | 93.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | trans | -111 | 113.7 | 171.3 | -68.8 | -171.9 | 0 | 0 | 0 | 110.6 | R96 T99 C100 I121 P125 I493 | R96-L123 HydrophobicContact CB-CD2 3.64Å; R96-L123 HydrophobicContact CG-CD2 3.6Å; T99-L123 HydrophobicContact CG2-CD1 4.41Å; T99-L123 HydrophobicContact CG2-CD2 4.19Å; T99-L123 HydrophobicContact CG2-CG 3.98Å; C100-L123 HydrophobicContact CB-CD1 3.86Å; I121-L123 HydrophobicContact CD1-CB 4.22Å; I121-L123 HydrophobicContact CD1-CD1 3.62Å; I121-L123 HydrophobicContact CD1-CG 3.82Å; I121-L123 HydrophobicContact CG1-CB 4.45Å; I121-L123 HydrophobicContact CG1-CG 4.37Å; I121-L123 PolarHBondContact O-N 3.39Å; L123-P125 VanDerWaalsContact O-CD 3.3Å; L123-P125 WeakPolarHBondContact O-CD 3.48Å; L123-I493 HydrophobicContact CB-CG1 4.33Å; L123-I493 HydrophobicContact CD1-CG1 4.07Å | ||
| 124 | L | 94 | Very high | 94.3 | Very high | 19 Ų | 19 | 31.3 Ų | 31.3 | 10% | 0.099 | 17% | 0.165 | C | C | . | . | trans | -66 | 124.5 | -179.1 | -166 | 74.5 | 0 | 0 | 0 | 109.9 | Y39 F40 R96 T128 | Y39-L124 HydrophobicContact CD1-CD1 4.19Å; Y39-L124 HydrophobicContact CD2-CD1 4.43Å; Y39-L124 HydrophobicContact CG-CD1 3.83Å; F40-L124 HydrophobicContact CE2-CD1 4.42Å; F40-L124 HydrophobicContact CZ-CB 4.05Å; F40-L124 HydrophobicContact CZ-CD1 4.22Å; R96-L124 PolarHBondContact NH2-O 2.86Å; L124-T128 HydrophobicContact CD1-CG2 3.96Å; L124-T128 WeakPolarHBondContact CD2-OG1 3.34Å; L124-T128 HydrophobicContact CG-CG2 4.08Å; L124-T128 WeakPolarHBondContact CG-OG1 3.22Å | ||
| 125 | P | 95.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.013 | 16% | 0.164 | C | C | . | . | trans | -67.1 | 153.1 | 175.8 | -23 | 35 | 0 | 0 | 0 | 113.3 | Y39 Y52 L123 L127 T128 | Y39-P125 HydrophobicContact CE1-CG 4.13Å; Y39-P125 HydrophobicContact CE2-CG 4.42Å; Y52-P125 HydrophobicContact CE1-CB 4.16Å; Y52-P125 WeakPolarHBondContact OH-CB 3.39Å; L123-P125 VanDerWaalsContact O-CD 3.3Å; L123-P125 WeakPolarHBondContact O-CD 3.48Å; P125-L127 PolarHBondContact O-N 3.41Å; P125-T128 HydrophobicContact CB-CG2 4.11Å; P125-T128 HydrophobicContact CG-CG2 4.33Å; P125-T128 WeakPolarHBondContact O-CB 3.3Å; P125-T128 VanDerWaalsContact O-CG2 3.28Å; P125-T128 WeakPolarHBondContact O-CG2 3.31Å; P125-T128 PolarHBondContact O-N 3.44Å; P125-T128 PolarHBondContact O-OG1 3.1Å | ||
| 126 | P | 94.6 | Very high | 94.6 | Very high | 15 Ų | 15 | 28.6 Ų | 28.6 | 10% | 0.097 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -39 | -165.4 | 25.7 | -34.4 | 0 | 0 | 0 | 114.4 | Y52 T128 Q719 I720 M723 | Y52-P126 WeakPolarHBondContact OH-CD 3.44Å; P126-T128 PolarHBondContact O-N 3.33Å; P126-Q719 HydrophobicContact CG-CB 3.99Å; P126-I720 HydrophobicContact CB-CD1 3.73Å; P126-I720 HydrophobicContact CG-CD1 4.07Å; P126-M723 HydrophobicContact CB-CE 3.79Å; P126-M723 HydrophobicContact CB-SD 4.38Å |
| 127 | L | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 6.8 | -176.3 | -48.6 | -172.8 | 0 | 0 | 0 | 114 | Y52 P125 V129 I130 T131 Q719 Y722 M723 I754 F758 | Y52-L127 HydrophobicContact CD1-CB 4.06Å; Y52-L127 HydrophobicContact CE1-CB 3.53Å; Y52-L127 HydrophobicContact CE1-CG 4.46Å; Y52-L127 HydrophobicContact CE2-CB 4.31Å; Y52-L127 HydrophobicContact CE2-CD1 4.48Å; Y52-L127 HydrophobicContact CE2-CG 4.49Å; Y52-L127 PolarHBondContact OH-N 3.01Å; P125-L127 PolarHBondContact O-N 3.41Å; L127-V129 PolarHBondContact O-N 3.16Å; L127-I130 PolarHBondContact O-N 3.02Å; L127-T131 WeakPolarHBondContact O-CB 3.28Å; L127-T131 PolarHBondContact O-N 3.09Å; L127-T131 PolarHBondContact O-OG1 3.48Å; L127-Q719 HydrophobicContact CD1-CB 4.19Å; L127-Q719 HydrophobicContact CD1-CG 3.83Å; L127-Q719 HydrophobicContact CD2-CB 3.91Å; L127-Q719 HydrophobicContact CD2-CG 4.43Å; L127-Q719 HydrophobicContact CG-CB 3.93Å; L127-Q719 HydrophobicContact CG-CG 3.93Å; L127-Y722 HydrophobicContact CD1-CD1 4.25Å; L127-Y722 HydrophobicContact CD2-CD1 3.93Å; L127-M723 HydrophobicContact CD2-CG 3.27Å; L127-M723 HydrophobicContact CD2-SD 3.7Å; L127-I754 HydrophobicContact CB-CD1 4.27Å; L127-I754 HydrophobicContact CB-CG2 3.89Å; L127-I754 HydrophobicContact CD1-CG1 4.39Å; L127-I754 HydrophobicContact CD1-CG2 3.65Å; L127-I754 HydrophobicContact CG-CG2 4.45Å; L127-F758 HydrophobicContact CD1-CB 4.05Å; L127-F758 HydrophobicContact CD1-CD1 4.34Å; L127-F758 HydrophobicContact CD1-CD2 3.27Å; L127-F758 HydrophobicContact CD1-CE2 3.71Å; L127-F758 HydrophobicContact CD1-CG 3.64Å; L127-F758 HydrophobicContact CD1-CZ 4.4Å |
| 128 | T | 96.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | -172.7 | 45.5 | 0 | 0 | 0 | 0 | 112.6 | Y39 Y52 L124 P125 P126 T131 F132 | Y39-T128 HydrophobicContact CD2-CG2 3.6Å; Y39-T128 HydrophobicContact CE2-CG2 3.74Å; Y39-T128 HydrophobicContact CG-CG2 4.35Å; Y52-T128 HydrophobicContact CE1-CG2 3.96Å; L124-T128 HydrophobicContact CD1-CG2 3.96Å; L124-T128 WeakPolarHBondContact CD2-OG1 3.34Å; L124-T128 HydrophobicContact CG-CG2 4.08Å; L124-T128 WeakPolarHBondContact CG-OG1 3.22Å; P125-T128 HydrophobicContact CB-CG2 4.11Å; P125-T128 HydrophobicContact CG-CG2 4.33Å; P125-T128 WeakPolarHBondContact O-CB 3.3Å; P125-T128 VanDerWaalsContact O-CG2 3.28Å; P125-T128 WeakPolarHBondContact O-CG2 3.31Å; P125-T128 PolarHBondContact O-N 3.44Å; P125-T128 PolarHBondContact O-OG1 3.1Å; P126-T128 PolarHBondContact O-N 3.33Å; T128-T131 PolarHBondContact O-N 2.88Å; T128-F132 PolarHBondContact O-N 2.68Å |
| 129 | V | 96.3 | Very high | 94.7 | Very high | 24 Ų | 24 | 26 Ų | 26 | 15% | 0.145 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.7 | -52.2 | 178.2 | -163.4 | 0 | 0 | 0 | 0 | 110.2 | L32 L35 L127 T131 F132 I133 Y472 | L32-V129 HydrophobicContact CD2-CG1 3.77Å; L32-V129 HydrophobicContact CD2-CG2 4.46Å; L35-V129 HydrophobicContact CD2-CB 3.93Å; L35-V129 HydrophobicContact CD2-CG1 4.05Å; L35-V129 HydrophobicContact CD2-CG2 3.65Å; L127-V129 PolarHBondContact O-N 3.16Å; V129-T131 VanDerWaalsContact C-N 3.27Å; V129-T131 PolarHBondContact O-N 3.08Å; V129-F132 WeakPolarHBondContact O-CA 3.4Å; V129-F132 VanDerWaalsContact O-CB 3.29Å; V129-F132 WeakPolarHBondContact O-CB 3.3Å; V129-F132 PolarHBondContact O-N 2.97Å; V129-I133 WeakPolarHBondContact O-CG1 3.26Å; V129-I133 PolarHBondContact O-N 3.06Å; V129-Y472 HydrophobicContact CB-CE1 4.1Å; V129-Y472 HydrophobicContact CG1-CD1 4Å; V129-Y472 HydrophobicContact CG1-CE1 3.38Å; V129-Y472 HydrophobicContact CG1-CE2 4.48Å |
| 130 | I | 96.5 | Very high | 94.7 | Very high | 13 Ų | 13 | 31.2 Ų | 31.2 | 7% | 0.067 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.3 | -33 | -178.1 | -44.8 | 175.1 | 0 | 0 | 0 | 111.1 | L127 F132 I133 Q134 L475 M723 L726 I754 | L127-I130 PolarHBondContact O-N 3.02Å; I130-F132 VanDerWaalsContact C-N 3.35Å; I130-I133 PolarHBondContact O-N 2.85Å; I130-Q134 HydrophobicContact CG2-CG 4.49Å; I130-Q134 WeakPolarHBondContact O-CB 3.36Å; I130-Q134 WeakPolarHBondContact O-CG 3.27Å; I130-Q134 PolarHBondContact O-N 3.05Å; I130-L475 HydrophobicContact CD1-CD1 4.03Å; I130-L475 HydrophobicContact CD1-CD2 4.03Å; I130-L475 HydrophobicContact CG1-CD2 3.96Å; I130-M723 HydrophobicContact CD1-CB 4.38Å; I130-M723 HydrophobicContact CD1-CG 3.68Å; I130-M723 HydrophobicContact CD1-SD 3.89Å; I130-L726 HydrophobicContact CD1-CD2 4.45Å; I130-L726 HydrophobicContact CG2-CD2 4.23Å; I130-I754 HydrophobicContact CB-CD1 3.43Å; I130-I754 VanDerWaalsContact CB-CD1 3.43Å; I130-I754 HydrophobicContact CG2-CD1 3.43Å; I130-I754 VanDerWaalsContact CG2-CD1 3.43Å |
| 131 | T | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 171.3 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | Y52 F55 L127 T128 V129 V135 I754 | Y52-T131 VanDerWaalsContact CD1-OG1 3.32Å; Y52-T131 WeakPolarHBondContact CD1-OG1 3.16Å; F55-T131 HydrophobicContact CD1-CG2 3.98Å; L127-T131 WeakPolarHBondContact O-CB 3.28Å; L127-T131 PolarHBondContact O-N 3.09Å; L127-T131 PolarHBondContact O-OG1 3.48Å; T128-T131 PolarHBondContact O-N 2.88Å; V129-T131 VanDerWaalsContact C-N 3.27Å; V129-T131 PolarHBondContact O-N 3.08Å; T131-V135 VanDerWaalsContact O-CG2 3.28Å; T131-V135 WeakPolarHBondContact O-CG2 3.43Å; T131-V135 PolarHBondContact O-N 3.42Å; T131-V135 VanDerWaalsContact O-N 3.13Å; T131-I754 WeakPolarHBondContact OG1-CG2 3.31Å |
| 132 | F | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.9 | -49.7 | 175.3 | -178.4 | -125.3 | 0 | 0 | 0 | 111.1 | F34 L35 I59 F75 L77 T128 V129 I130 Q134 V135 L136 | F34-F132 HydrophobicContact CD1-CE2 4.01Å; F34-F132 AromaticContact CD1-CZ 3.81Å; F34-F132 HydrophobicContact CD1-CZ 3.81Å; F34-F132 HydrophobicContact CE1-CE2 4.07Å; F34-F132 HydrophobicContact CE1-CZ 4.25Å; L35-F132 HydrophobicContact CB-CD1 4.39Å; L35-F132 HydrophobicContact CD1-CB 4Å; L35-F132 HydrophobicContact CD1-CG 4.31Å; I59-F132 HydrophobicContact CD1-CB 4.2Å; I59-F132 HydrophobicContact CD1-CD2 3.95Å; I59-F132 HydrophobicContact CG1-CD2 3.97Å; I59-F132 HydrophobicContact CG2-CD2 3.88Å; I59-F132 HydrophobicContact CG2-CE2 4.07Å; F75-F132 HydrophobicContact CD1-CE1 4.29Å; F75-F132 AromaticContact CD1-CZ 3.79Å; F75-F132 HydrophobicContact CD1-CZ 3.79Å; F75-F132 HydrophobicContact CD2-CZ 4.38Å; F75-F132 AromaticContact CE1-CZ 3.71Å; F75-F132 HydrophobicContact CE1-CZ 3.71Å; F75-F132 HydrophobicContact CE2-CZ 4.31Å; F75-F132 HydrophobicContact CG-CE1 4.48Å; F75-F132 HydrophobicContact CG-CZ 4.12Å; F75-F132 HydrophobicContact CZ-CE2 4.47Å; F75-F132 AromaticContact CZ-CZ 3.98Å; F75-F132 HydrophobicContact CZ-CZ 3.98Å; L77-F132 HydrophobicContact CD2-CE1 4.46Å; T128-F132 PolarHBondContact O-N 2.68Å; V129-F132 WeakPolarHBondContact O-CA 3.4Å; V129-F132 VanDerWaalsContact O-CB 3.29Å; V129-F132 WeakPolarHBondContact O-CB 3.3Å; V129-F132 PolarHBondContact O-N 2.97Å; I130-F132 VanDerWaalsContact C-N 3.35Å; F132-Q134 PolarHBondContact O-N 2.79Å; F132-V135 PolarHBondContact O-N 3.4Å; F132-V135 VanDerWaalsContact O-N 3.16Å; F132-L136 HydrophobicContact CD1-CD1 4.2Å; F132-L136 HydrophobicContact CD2-CD2 4.46Å; F132-L136 HydrophobicContact CD2-CG 4.28Å; F132-L136 HydrophobicContact CE1-CD1 3.81Å; F132-L136 HydrophobicContact CE2-CD1 4.19Å; F132-L136 HydrophobicContact CE2-CD2 3.92Å; F132-L136 HydrophobicContact CE2-CG 4.1Å; F132-L136 HydrophobicContact CZ-CD1 3.81Å; F132-L136 HydrophobicContact CZ-CD2 4.19Å; F132-L136 HydrophobicContact CZ-CG 4.24Å; F132-L136 WeakPolarHBondContact O-CG 3.47Å; F132-L136 PolarHBondContact O-N 3.29Å |
| 133 | I | 97.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 177.1 | -57.8 | -55.5 | 0 | 0 | 0 | 112.4 | L77 V129 I130 V135 L136 N137 Y143 Y472 | L77-I133 HydrophobicContact CD1-CD1 3.4Å; L77-I133 HydrophobicContact CD2-CD1 4.27Å; L77-I133 HydrophobicContact CG-CD1 4.47Å; V129-I133 WeakPolarHBondContact O-CG1 3.26Å; V129-I133 PolarHBondContact O-N 3.06Å; I130-I133 PolarHBondContact O-N 2.85Å; I133-V135 VanDerWaalsContact C-N 3.3Å; I133-V135 PolarHBondContact O-N 3.19Å; I133-L136 PolarHBondContact O-N 3.41Å; I133-N137 WeakPolarHBondContact CG2-ND2 3.17Å; I133-N137 WeakPolarHBondContact O-CB 3.41Å; I133-N137 PolarHBondContact O-N 3.32Å; I133-N137 PolarHBondContact O-ND2 3.12Å; I133-Y143 HydrophobicContact CD1-CD2 3.93Å; I133-Y143 HydrophobicContact CD1-CE2 3.98Å; I133-Y143 HydrophobicContact CG2-CE2 3.84Å; I133-Y472 HydrophobicContact CD1-CG 4.44Å; I133-Y472 HydrophobicContact CG1-CD1 4.15Å; I133-Y472 HydrophobicContact CG1-CG 4.25Å |
| 134 | Q | 95.3 | Very high | 95.7 | Very high | 38 Ų | 38 | 19.6 Ų | 19.6 | 18% | 0.178 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.5 | -40.3 | 176.5 | -76.2 | 177.7 | 1.5 | 0 | 0 | 111.8 | I130 F132 Q138 | I130-Q134 HydrophobicContact CG2-CG 4.49Å; I130-Q134 WeakPolarHBondContact O-CB 3.36Å; I130-Q134 WeakPolarHBondContact O-CG 3.27Å; I130-Q134 PolarHBondContact O-N 3.05Å; F132-Q134 PolarHBondContact O-N 2.79Å; Q134-Q138 WeakPolarHBondContact O-CB 3.39Å; Q134-Q138 VanDerWaalsContact O-CG 3.23Å; Q134-Q138 WeakPolarHBondContact O-CG 3.19Å; Q134-Q138 PolarHBondContact O-N 3.06Å |
| 135 | V | 95.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -75.7 | -37.2 | 179.3 | 177.1 | 0 | 0 | 0 | 0 | 112.5 | I59 T131 F132 I133 N137 Q138 L139 | I59-V135 HydrophobicContact CB-CB 4.48Å; I59-V135 HydrophobicContact CB-CG1 3.91Å; I59-V135 HydrophobicContact CD1-CB 4.27Å; I59-V135 HydrophobicContact CD1-CG2 4.32Å; I59-V135 HydrophobicContact CG2-CB 4.13Å; I59-V135 HydrophobicContact CG2-CG1 3.57Å; T131-V135 VanDerWaalsContact O-CG2 3.28Å; T131-V135 WeakPolarHBondContact O-CG2 3.43Å; T131-V135 PolarHBondContact O-N 3.42Å; T131-V135 VanDerWaalsContact O-N 3.13Å; F132-V135 PolarHBondContact O-N 3.4Å; F132-V135 VanDerWaalsContact O-N 3.16Å; I133-V135 VanDerWaalsContact C-N 3.3Å; I133-V135 PolarHBondContact O-N 3.19Å; V135-N137 VanDerWaalsContact C-N 3.33Å; V135-N137 PolarHBondContact O-N 2.8Å; V135-Q138 PolarHBondContact O-N 2.63Å; V135-L139 HydrophobicContact CG1-CD1 3.57Å; V135-L139 HydrophobicContact CG1-CG 4.13Å; V135-L139 WeakPolarHBondContact O-CB 3.45Å; V135-L139 VanDerWaalsContact O-CG 3.25Å; V135-L139 WeakPolarHBondContact O-CG 3.27Å; V135-L139 PolarHBondContact O-N 3.45Å |
| 136 | L | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 172.1 | -66.9 | -174.2 | 0 | 0 | 0 | 111.1 | I63 F75 F132 I133 L139 N140 V141 Y143 | I63-L136 HydrophobicContact CD1-CD2 4.01Å; I63-L136 HydrophobicContact CG1-CD2 4.37Å; F75-L136 HydrophobicContact CB-CD1 4.33Å; F75-L136 HydrophobicContact CD2-CD1 3.69Å; F75-L136 HydrophobicContact CD2-CD2 3.92Å; F75-L136 HydrophobicContact CD2-CG 4.49Å; F75-L136 HydrophobicContact CE2-CD1 4.27Å; F75-L136 HydrophobicContact CE2-CD2 3.66Å; F75-L136 HydrophobicContact CG-CD1 4.13Å; F75-L136 HydrophobicContact CZ-CD2 4.47Å; F132-L136 HydrophobicContact CD1-CD1 4.2Å; F132-L136 HydrophobicContact CD2-CD2 4.46Å; F132-L136 HydrophobicContact CD2-CG 4.28Å; F132-L136 HydrophobicContact CE1-CD1 3.81Å; F132-L136 HydrophobicContact CE2-CD1 4.19Å; F132-L136 HydrophobicContact CE2-CD2 3.92Å; F132-L136 HydrophobicContact CE2-CG 4.1Å; F132-L136 HydrophobicContact CZ-CD1 3.81Å; F132-L136 HydrophobicContact CZ-CD2 4.19Å; F132-L136 HydrophobicContact CZ-CG 4.24Å; F132-L136 WeakPolarHBondContact O-CG 3.47Å; F132-L136 PolarHBondContact O-N 3.29Å; I133-L136 PolarHBondContact O-N 3.41Å; L136-L139 PolarHBondContact O-N 3.24Å; L136-N140 PolarHBondContact O-N 3.08Å; L136-N140 VanDerWaalsContact O-N 3.16Å; L136-V141 HydrophobicContact CB-CB 4.29Å; L136-V141 HydrophobicContact CD2-CB 3.93Å; L136-V141 HydrophobicContact CD2-CG1 3.95Å; L136-V141 HydrophobicContact CD2-CG2 4.35Å; L136-V141 PolarHBondContact O-N 3.34Å; L136-Y143 HydrophobicContact CB-CD1 3.94Å; L136-Y143 HydrophobicContact CB-CE1 4.28Å; L136-Y143 HydrophobicContact CD1-CD1 4.04Å; L136-Y143 HydrophobicContact CD1-CG 4.1Å |
| 137 | N | 94.1 | Very high | 95.5 | Very high | 53 Ų | 53 | 18 Ų | 18 | 28% | 0.283 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -58.5 | -51.3 | 173.6 | -77.7 | -54.4 | 0 | 0 | 0 | 112 | I133 V135 L139 N140 Y143 | I133-N137 WeakPolarHBondContact CG2-ND2 3.17Å; I133-N137 WeakPolarHBondContact O-CB 3.41Å; I133-N137 PolarHBondContact O-N 3.32Å; I133-N137 PolarHBondContact O-ND2 3.12Å; V135-N137 VanDerWaalsContact C-N 3.33Å; V135-N137 PolarHBondContact O-N 2.8Å; N137-L139 VanDerWaalsContact C-N 3.29Å; N137-L139 PolarHBondContact O-N 3.39Å; N137-N140 PolarHBondContact O-N 3.11Å; N137-Y143 VanDerWaalsContact CG-OH 3.23Å; N137-Y143 PolarHBondContact ND2-OH 2.98Å; N137-Y143 WeakPolarHBondContact OD1-CE1 3.42Å; N137-Y143 PolarHBondContact OD1-OH 3.22Å |
| 138 | Q | 91.8 | Very high | 95.1 | Very high | 79 Ų | 79 | 20.6 Ų | 20.6 | 37% | 0.369 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -62.5 | -33.3 | -179.2 | -75.6 | 174.3 | -12.3 | 0 | 0 | 113.5 | Q134 V135 N140 H667 Y755 | Q134-Q138 WeakPolarHBondContact O-CB 3.39Å; Q134-Q138 VanDerWaalsContact O-CG 3.23Å; Q134-Q138 WeakPolarHBondContact O-CG 3.19Å; Q134-Q138 PolarHBondContact O-N 3.06Å; V135-Q138 PolarHBondContact O-N 2.63Å; Q138-N140 VanDerWaalsContact C-N 3.28Å; Q138-H667 PolarHBondContact OE1-CD2 3.34Å; Q138-Y755 PolarHBondContact NE2-OH 3.37Å |
| 139 | L | 93 | Very high | 94.7 | Very high | 26 Ų | 26 | 21.6 Ų | 21.6 | 14% | 0.136 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -2.3 | 176.7 | -65 | 172.7 | 0 | 0 | 0 | 112.9 | I63 R67 V135 L136 N137 V141 | I63-L139 HydrophobicContact CB-CD1 3.94Å; I63-L139 HydrophobicContact CG1-CD1 4.03Å; I63-L139 HydrophobicContact CG2-CB 4.48Å; I63-L139 HydrophobicContact CG2-CD1 3.96Å; R67-L139 VanDerWaalsContact CZ-O 3.26Å; R67-L139 PolarHBondContact NH1-O 2.9Å; R67-L139 PolarHBondContact NH2-O 2.96Å; V135-L139 HydrophobicContact CG1-CD1 3.57Å; V135-L139 HydrophobicContact CG1-CG 4.13Å; V135-L139 WeakPolarHBondContact O-CB 3.45Å; V135-L139 VanDerWaalsContact O-CG 3.25Å; V135-L139 WeakPolarHBondContact O-CG 3.27Å; V135-L139 PolarHBondContact O-N 3.45Å; L136-L139 PolarHBondContact O-N 3.24Å; N137-L139 VanDerWaalsContact C-N 3.29Å; N137-L139 PolarHBondContact O-N 3.39Å; L139-V141 HydrophobicContact CB-CG2 3.95Å |
| 140 | N | 94.2 | Very high | 94.5 | Very high | 111 Ų | 111 | 20.5 Ų | 20.5 | 59% | 0.594 | 11% | 0.109 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 60.9 | -168.1 | -73.1 | -66.1 | 0 | 0 | 0 | 111.9 | R67 L136 N137 Q138 K343 | R67-N140 PolarHBondContact NH2-O 3.14Å; L136-N140 PolarHBondContact O-N 3.08Å; L136-N140 VanDerWaalsContact O-N 3.16Å; N137-N140 PolarHBondContact O-N 3.11Å; Q138-N140 VanDerWaalsContact C-N 3.28Å; N140-K343 PolarHBondContact OD1-NZ 3.11Å |
| 141 | V | 96 | Very high | 94.4 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.024 | 11% | 0.11 | C | C | . | . | trans | -107.2 | 141.4 | 169.6 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | I63 P73 F75 L136 L139 | I63-V141 HydrophobicContact CD1-CG1 4.46Å; I63-V141 HydrophobicContact CD1-CG2 4.23Å; I63-V141 HydrophobicContact CG1-CG2 4.37Å; I63-V141 HydrophobicContact CG2-CG2 3.6Å; P73-V141 HydrophobicContact CG-CG1 3.92Å; P73-V141 WeakPolarHBondContact O-CG1 3.12Å; F75-V141 HydrophobicContact CD2-CG1 3.99Å; F75-V141 HydrophobicContact CE2-CG1 3.86Å; L136-V141 HydrophobicContact CB-CB 4.29Å; L136-V141 HydrophobicContact CD2-CB 3.93Å; L136-V141 HydrophobicContact CD2-CG1 3.95Å; L136-V141 HydrophobicContact CD2-CG2 4.35Å; L136-V141 PolarHBondContact O-N 3.34Å; L139-V141 HydrophobicContact CB-CG2 3.95Å | ||
| 142 | D | 96.9 | Very high | 94.2 | Very high | 11 Ų | 11 | 22.2 Ų | 22.2 | 6% | 0.059 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 139.5 | -179.8 | -97.4 | -11.5 | 0 | 0 | 0 | 112.2 | I74 F75 L342 K343 S344 | I74-D142 WeakPolarHBondContact CA-O 3.37Å; I74-D142 HydrophobicContact CG1-CB 4.12Å; F75-D142 PolarHBondContact N-O 3.2Å; D142-L342 HydrophobicContact CB-CD2 3.96Å; D142-K343 VanDerWaalsContact CG-N 3.29Å; D142-K343 VanDerWaalsContact OD1-CB 3.29Å; D142-K343 WeakPolarHBondContact OD1-CB 3.1Å; D142-K343 PolarHBondContact OD1-N 2.78Å; D142-K343 PolarHBondContact OD2-N 3.32Å; D142-K343 VanDerWaalsContact OD2-N 3.09Å; D142-S344 WeakPolarHBondContact OD2-CB 3.49Å; D142-S344 PolarHBondContact OD2-N 2.74Å; D142-S344 PolarHBondContact OD2-OG 2.95Å |
| 143 | Y | 97.7 | Very high | 94.1 | Very high | 11 Ų | 11 | 23 Ų | 23 | 4% | 0.043 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 160.2 | 171.9 | 64.8 | -79.5 | 0 | 0 | 0 | 110.6 | F75 L77 I133 L136 N137 N471 | F75-Y143 CarbonylContact O-C 3.13Å; F75-Y143 WeakPolarHBondContact O-CA 3.34Å; F75-Y143 WeakPolarHBondContact O-CB 3.1Å; L77-Y143 HydrophobicContact CD1-CD2 3.71Å; I133-Y143 HydrophobicContact CD1-CD2 3.93Å; I133-Y143 HydrophobicContact CD1-CE2 3.98Å; I133-Y143 HydrophobicContact CG2-CE2 3.84Å; L136-Y143 HydrophobicContact CB-CD1 3.94Å; L136-Y143 HydrophobicContact CB-CE1 4.28Å; L136-Y143 HydrophobicContact CD1-CD1 4.04Å; L136-Y143 HydrophobicContact CD1-CG 4.1Å; N137-Y143 VanDerWaalsContact CG-OH 3.23Å; N137-Y143 PolarHBondContact ND2-OH 2.98Å; N137-Y143 WeakPolarHBondContact OD1-CE1 3.42Å; N137-Y143 PolarHBondContact OD1-OH 3.22Å; Y143-N471 HydrophobicContact CE2-CB 4.48Å; Y143-N471 PolarHBondContact OH-O 3.34Å |
| 144 | V | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 145.6 | 176.1 | 64.7 | 0 | 0 | 0 | 0 | 110.5 | F75 V76 L77 F338 H341 L342 R470 | F75-V144 PolarHBondContact O-N 3.21Å; V76-V144 CarbonylContact C-O 3.59Å; V76-V144 WeakPolarHBondContact CA-O 3.33Å; V76-V144 HydrophobicContact CG1-CG1 4.39Å; V76-V144 HydrophobicContact CG2-CG1 4.35Å; L77-V144 PolarHBondContact N-O 3.43Å; V144-F338 HydrophobicContact CB-CG 4.48Å; V144-F338 HydrophobicContact CG1-CB 4.39Å; V144-F338 HydrophobicContact CG1-CD1 4.31Å; V144-F338 HydrophobicContact CG1-CD2 3.59Å; V144-F338 HydrophobicContact CG1-CE1 4.47Å; V144-F338 HydrophobicContact CG1-CE2 3.73Å; V144-F338 HydrophobicContact CG1-CG 3.88Å; V144-F338 HydrophobicContact CG1-CZ 4.19Å; V144-F338 HydrophobicContact CG2-CB 4.41Å; V144-F338 HydrophobicContact CG2-CD1 3.58Å; V144-F338 HydrophobicContact CG2-CD2 4.39Å; V144-F338 HydrophobicContact CG2-CE1 3.82Å; V144-F338 HydrophobicContact CG2-CG 3.9Å; V144-F338 HydrophobicContact CG2-CZ 4.3Å; V144-H341 HydrophobicContact CG2-CB 4.35Å; V144-L342 HydrophobicContact CB-CD2 3.96Å; V144-L342 HydrophobicContact CB-CG 4.36Å; V144-L342 HydrophobicContact CG1-CD1 4.4Å; V144-L342 HydrophobicContact CG1-CD2 4.12Å; V144-L342 HydrophobicContact CG1-CG 4.45Å; V144-R470 HydrophobicContact CG2-CB 4.3Å |
| 145 | T | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 130.3 | 176 | -44.9 | 0 | 0 | 0 | 0 | 110 | L77 D78 F469 R470 Y472 P476 | L77-T145 HydrophobicContact CB-CG2 4.28Å; L77-T145 WeakPolarHBondContact O-CA 3.29Å; D78-T145 WeakPolarHBondContact O-CG2 3.32Å; T145-F469 WeakPolarHBondContact CB-O 3.35Å; T145-F469 HydrophobicContact CG2-CE2 4.49Å; T145-F469 HydrophobicContact CG2-CZ 4.22Å; T145-F469 PolarHBondContact OG1-O 2.99Å; T145-R470 PolarHBondContact N-O 3.49Å; T145-R470 WeakPolarHBondContact O-CD 3.49Å; T145-R470 PolarHBondContact O-NH1 3.41Å; T145-R470 PolarHBondContact OG1-O 3.4Å; T145-Y472 HydrophobicContact CG2-CD2 3.74Å; T145-Y472 HydrophobicContact CG2-CE2 4.15Å; T145-Y472 WeakPolarHBondContact OG1-CD2 3.46Å; T145-P476 HydrophobicContact CG2-CG 4.31Å |
| 146 | S | 94.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -69.1 | 167 | 175.3 | -78.3 | 0 | 0 | 0 | 0 | 112.1 | V76 L77 G79 S148 D153 F469 | V76-S146 VanDerWaalsContact CG1-OG 3.31Å; V76-S146 WeakPolarHBondContact CG1-OG 3.34Å; L77-S146 PolarHBondContact O-N 3.13Å; G79-S146 VanDerWaalsContact CA-O 3.31Å; G79-S146 WeakPolarHBondContact CA-O 3.34Å; S146-S148 WeakPolarHBondContact CB-O 3.26Å; S146-D153 WeakPolarHBondContact CB-OD2 3.4Å; S146-D153 WeakPolarHBondContact OG-CB 3.4Å; S146-D153 PolarHBondContact OG-OD2 3.44Å; S146-F469 VanDerWaalsContact O-CE1 3.26Å; S146-F469 WeakPolarHBondContact O-CE1 3.46Å; S146-F469 VanDerWaalsContact O-CZ 3.28Å; S146-F469 WeakPolarHBondContact O-CZ 3.33Å | ||
| 147 | D | 89.6 | Confident | 94.1 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -71.4 | -37.9 | 171.7 | -69.1 | -83.3 | 0 | 0 | 0 | 110.6 | C80 K456 V457 T458 R470 | C80-D147 PolarHBondContact N-O 2.89Å; D147-K456 HydrophobicContact CB-CB 4.44Å; D147-K456 HydrophobicContact CB-CG 4.29Å; D147-K456 WeakPolarHBondContact OD2-CD 3.33Å; D147-K456 IonicContact OD2-NZ 3.89Å; D147-K456 PolarHBondContact OD2-NZ 2.83Å; D147-V457 HydrophobicContact CB-CB 4.47Å; D147-T458 PolarHBondContact OD1-N 2.81Å; D147-T458 PolarHBondContact OD1-OG1 3.24Å; D147-R470 VanDerWaalsContact N-NH1 3.2Å; D147-R470 IonicContact OD1-CZ 3.33Å; D147-R470 IonicContact OD1-NH1 3.45Å; D147-R470 IonicContact OD1-NH2 2.74Å; D147-R470 PolarHBondContact OD1-NH2 3.15Å; D147-R470 IonicContact OD2-CZ 2.93Å; D147-R470 IonicContact OD2-NH1 2.59Å; D147-R470 PolarHBondContact OD2-NH1 2.87Å; D147-R470 IonicContact OD2-NH2 3.17Å; D147-R470 PolarHBondContact OD2-NH2 2.88Å |
| 148 | S | 87.8 | Confident | 94.1 | Very high | 54 Ų | 54 | 18.5 Ų | 18.5 | 38% | 0.378 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -134.6 | -144.6 | 174.8 | 58.1 | 0 | 0 | 0 | 0 | 110.3 | G79 C80 S146 | G79-S148 PolarHBondContact N-O 3.43Å; C80-S148 WeakPolarHBondContact O-CA 3.47Å; C80-S148 WeakPolarHBondContact O-CB 3.28Å; S146-S148 WeakPolarHBondContact CB-O 3.26Å |
| 149 | E | 88.4 | Confident | 94.3 | Very high | 21 Ų | 21 | 15.8 Ų | 15.8 | 10% | 0.098 | 9% | 0.086 | C | C | . | . | trans | -53.3 | 136.5 | 178 | -42.4 | -70.9 | 145.5 | 0 | 0 | 112.8 | D78 H81 K85 D151 | D78-E149 WeakPolarHBondContact OD1-CA 3.28Å; H81-E149 WeakPolarHBondContact CA-OE1 3.41Å; H81-E149 IonicContact CD2-OE1 3.85Å; K85-E149 VanDerWaalsContact CD-CD 3.46Å; K85-E149 HydrophobicContact CD-CG 4.25Å; K85-E149 WeakPolarHBondContact CD-OE1 3.2Å; K85-E149 WeakPolarHBondContact CD-OE2 3.46Å; K85-E149 WeakPolarHBondContact CE-OE2 3.33Å; K85-E149 VanDerWaalsContact NZ-CD 3.33Å; K85-E149 IonicContact NZ-OE2 3.39Å; K85-E149 PolarHBondContact NZ-OE2 3.1Å; E149-D151 PolarHBondContact O-N 2.84Å | ||
| 150 | A | 93.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -77 | -16.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V76 D78 Q152 D153 V154 | V76-A150 HydrophobicContact CB-CB 4.24Å; V76-A150 HydrophobicContact CG1-CB 3.79Å; D78-A150 WeakPolarHBondContact OD1-CB 3.22Å; D78-A150 PolarHBondContact OD1-N 2.72Å; A150-Q152 PolarHBondContact O-N 2.63Å; A150-D153 PolarHBondContact O-N 3.32Å; A150-V154 HydrophobicContact CB-CG2 4.28Å; A150-V154 WeakPolarHBondContact O-CG2 3.32Å; A150-V154 PolarHBondContact O-N 3.03Å |
| 151 | D | 93.8 | Very high | 94.4 | Very high | 17 Ų | 17 | 13.6 Ų | 13.6 | 9% | 0.091 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -46.8 | -55.2 | -170.6 | -66.6 | -51.8 | 0 | 0 | 0 | 113.9 | E149 I155 F172 | E149-D151 PolarHBondContact O-N 2.84Å; D151-I155 WeakPolarHBondContact O-CG1 3.47Å; D151-I155 PolarHBondContact O-N 2.94Å; D151-F172 VanDerWaalsContact OD1-CE2 3.31Å; D151-F172 WeakPolarHBondContact OD1-CE2 3.43Å |
| 152 | Q | 92.8 | Very high | 94.3 | Very high | 32 Ų | 32 | 20.2 Ų | 20.2 | 15% | 0.15 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -77.3 | -25.3 | -177.3 | -54.1 | -45 | -40.7 | 0 | 0 | 112.8 | A150 S156 S326 T329 | A150-Q152 PolarHBondContact O-N 2.63Å; Q152-S156 WeakPolarHBondContact O-CB 3.18Å; Q152-S156 PolarHBondContact O-N 3.34Å; Q152-S156 PolarHBondContact O-OG 3.39Å; Q152-S326 VanDerWaalsContact CD-O 3.29Å; Q152-S326 WeakPolarHBondContact CG-O 3.28Å; Q152-S326 PolarHBondContact NE2-O 2.9Å; Q152-T329 HydrophobicContact CB-CG2 4.21Å; Q152-T329 VanDerWaalsContact OE1-CG2 3.29Å |
| 153 | D | 95.1 | Very high | 94.3 | Very high | 17 Ų | 17 | 19.8 Ų | 19.8 | 9% | 0.091 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -73.3 | -39.4 | 175.8 | -82.2 | -11.4 | 0 | 0 | 0 | 110.9 | V76 S146 A150 S156 L157 V334 F338 | V76-D153 HydrophobicContact CG1-CB 4.23Å; S146-D153 WeakPolarHBondContact CB-OD2 3.4Å; S146-D153 WeakPolarHBondContact OG-CB 3.4Å; S146-D153 PolarHBondContact OG-OD2 3.44Å; A150-D153 PolarHBondContact O-N 3.32Å; D153-S156 PolarHBondContact O-N 3.38Å; D153-L157 WeakPolarHBondContact O-CB 3.35Å; D153-L157 PolarHBondContact O-N 2.84Å; D153-V334 HydrophobicContact CB-CG1 4.14Å; D153-V334 WeakPolarHBondContact OD1-CG2 3.35Å; D153-F338 HydrophobicContact CB-CE2 3.91Å; D153-F338 HydrophobicContact CB-CZ 4.21Å; D153-F338 WeakPolarHBondContact OD2-CZ 3.41Å |
| 154 | V | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.1 | -47.9 | 172 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | I28 V76 A150 G158 V165 F172 | I28-V154 HydrophobicContact CB-CG1 4.18Å; I28-V154 HydrophobicContact CG2-CB 4.34Å; I28-V154 HydrophobicContact CG2-CG1 3.89Å; I28-V154 HydrophobicContact CG2-CG2 4.44Å; V76-V154 HydrophobicContact CB-CG2 3.59Å; V76-V154 HydrophobicContact CG1-CG2 4.26Å; V76-V154 HydrophobicContact CG2-CG2 3.77Å; A150-V154 HydrophobicContact CB-CG2 4.28Å; A150-V154 WeakPolarHBondContact O-CG2 3.32Å; A150-V154 PolarHBondContact O-N 3.03Å; V154-G158 PolarHBondContact O-N 2.85Å; V154-V165 HydrophobicContact CG1-CB 4.04Å; V154-V165 HydrophobicContact CG1-CG1 3.99Å; V154-F172 HydrophobicContact CB-CE1 3.92Å; V154-F172 HydrophobicContact CB-CZ 4.02Å; V154-F172 HydrophobicContact CG1-CE1 3.54Å; V154-F172 HydrophobicContact CG1-CZ 3.97Å; V154-F172 HydrophobicContact CG2-CZ 4.41Å |
| 155 | I | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.2 | -46.7 | 176.9 | -61.7 | -77.8 | 0 | 0 | 0 | 110.3 | D151 L157 G158 I159 V165 F172 S175 T329 | D151-I155 WeakPolarHBondContact O-CG1 3.47Å; D151-I155 PolarHBondContact O-N 2.94Å; I155-L157 PolarHBondContact O-N 3.4Å; I155-G158 CarbonylContact O-C 3.5Å; I155-G158 PolarHBondContact O-N 3.46Å; I155-G158 VanDerWaalsContact O-N 3.07Å; I155-I159 HydrophobicContact CG2-CD1 3.76Å; I155-I159 HydrophobicContact CG2-CG1 4.17Å; I155-I159 VanDerWaalsContact O-CG1 3.31Å; I155-I159 WeakPolarHBondContact O-CG1 3.28Å; I155-I159 PolarHBondContact O-N 2.92Å; I155-V165 HydrophobicContact CD1-CG2 4.17Å; I155-F172 HydrophobicContact CD1-CD1 3.67Å; I155-F172 HydrophobicContact CD1-CE1 3.99Å; I155-F172 HydrophobicContact CG1-CD1 4.19Å; I155-F172 HydrophobicContact CG1-CE1 4.06Å; I155-S175 WeakPolarHBondContact CD1-OG 3.46Å; I155-S175 WeakPolarHBondContact CG1-OG 3.23Å; I155-T329 HydrophobicContact CB-CG2 3.98Å; I155-T329 HydrophobicContact CG2-CG2 3.69Å |
| 156 | S | 95.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.007 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59 | -43.7 | -179.3 | -65 | 0 | 0 | 0 | 0 | 112.1 | Q152 D153 I159 H160 T329 N330 P331 | Q152-S156 WeakPolarHBondContact O-CB 3.18Å; Q152-S156 PolarHBondContact O-N 3.34Å; Q152-S156 PolarHBondContact O-OG 3.39Å; D153-S156 PolarHBondContact O-N 3.38Å; S156-I159 PolarHBondContact O-N 3.21Å; S156-H160 PolarHBondContact O-N 3.32Å; S156-H160 VanDerWaalsContact O-N 3.12Å; S156-T329 WeakPolarHBondContact OG-CB 3.22Å; S156-N330 PolarHBondContact OG-N 3.48Å; S156-N330 VanDerWaalsContact OG-N 3.14Å; S156-P331 WeakPolarHBondContact O-CB 3.5Å |
| 157 | L | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.5 | -46.5 | 170.7 | -78.5 | -172.9 | 0 | 0 | 0 | 112.3 | I28 V76 D153 I155 I159 H160 L161 V334 Y335 F338 L342 | I28-L157 HydrophobicContact CD1-CB 4.23Å; I28-L157 HydrophobicContact CG1-CB 4.02Å; I28-L157 HydrophobicContact CG2-CB 4.11Å; I28-L157 HydrophobicContact CG2-CD1 3.99Å; V76-L157 HydrophobicContact CG2-CD1 3.84Å; D153-L157 WeakPolarHBondContact O-CB 3.35Å; D153-L157 PolarHBondContact O-N 2.84Å; I155-L157 PolarHBondContact O-N 3.4Å; L157-I159 PolarHBondContact O-N 2.77Å; L157-H160 PolarHBondContact O-N 3.21Å; L157-L161 HydrophobicContact CD2-CD1 4.48Å; L157-L161 VanDerWaalsContact O-CB 3.3Å; L157-L161 WeakPolarHBondContact O-CB 3.37Å; L157-L161 PolarHBondContact O-N 3.46Å; L157-V334 HydrophobicContact CD2-CG1 4.27Å; L157-V334 HydrophobicContact CG-CG1 4.14Å; L157-Y335 HydrophobicContact CD2-CD2 4.49Å; L157-F338 HydrophobicContact CD1-CD2 3.92Å; L157-F338 HydrophobicContact CD1-CE2 4.48Å; L157-F338 HydrophobicContact CD2-CB 4.47Å; L157-F338 HydrophobicContact CD2-CD2 4.14Å; L157-F338 HydrophobicContact CG-CD2 4.06Å; L157-L342 HydrophobicContact CD1-CD1 4.45Å |
| 158 | G | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.9 | -31 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V154 I155 K162 C163 | V154-G158 PolarHBondContact O-N 2.85Å; I155-G158 CarbonylContact O-C 3.5Å; I155-G158 PolarHBondContact O-N 3.46Å; I155-G158 VanDerWaalsContact O-N 3.07Å; G158-K162 WeakPolarHBondContact O-CA 3.31Å; G158-K162 PolarHBondContact O-N 2.68Å; G158-C163 PolarHBondContact O-N 3.28Å |
| 159 | I | 95.4 | Very high | 95.1 | Very high | 22 Ų | 22 | 19.1 Ų | 19.1 | 11% | 0.113 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.9 | -54.6 | 172.2 | -67.4 | 173.7 | 0 | 0 | 0 | 110.3 | I155 S156 L157 L161 K162 P177 I183 P331 | I155-I159 HydrophobicContact CG2-CD1 3.76Å; I155-I159 HydrophobicContact CG2-CG1 4.17Å; I155-I159 VanDerWaalsContact O-CG1 3.31Å; I155-I159 WeakPolarHBondContact O-CG1 3.28Å; I155-I159 PolarHBondContact O-N 2.92Å; S156-I159 PolarHBondContact O-N 3.21Å; L157-I159 PolarHBondContact O-N 2.77Å; I159-L161 PolarHBondContact O-N 2.95Å; I159-K162 PolarHBondContact O-N 2.94Å; I159-K162 VanDerWaalsContact O-N 3.17Å; I159-P177 HydrophobicContact CD1-CG 4.27Å; I159-P177 HydrophobicContact CG1-CG 4.31Å; I159-I183 HydrophobicContact CB-CD1 4.42Å; I159-I183 HydrophobicContact CG1-CD1 3.54Å; I159-P331 HydrophobicContact CB-CB 4.23Å; I159-P331 HydrophobicContact CB-CG 3.8Å; I159-P331 HydrophobicContact CD1-CG 4.15Å; I159-P331 HydrophobicContact CG2-CB 3.96Å; I159-P331 HydrophobicContact CG2-CG 3.46Å; I159-P331 VanDerWaalsContact CG2-CG 3.46Å |
| 160 | H | 94.5 | Very high | 95.4 | Very high | 44 Ų | 44 | 18.2 Ų | 18.2 | 20% | 0.204 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | -176.6 | -172.1 | 92.4 | 0 | 0 | 0 | 112 | S156 L157 K162 P331 E332 Y335 | S156-H160 PolarHBondContact O-N 3.32Å; S156-H160 VanDerWaalsContact O-N 3.12Å; L157-H160 PolarHBondContact O-N 3.21Å; H160-K162 VanDerWaalsContact C-N 3.3Å; H160-P331 HydrophobicContact CB-CB 4.01Å; H160-E332 IonicContact CE1-OE1 2.93Å; H160-E332 IonicContact CE1-OE2 2.74Å; H160-E332 PolarHBondContact CE1-OE2 3.09Å; H160-E332 IonicContact CG-OE1 2.67Å; H160-E332 VanDerWaalsContact ND1-CD 3.31Å; H160-E332 IonicContact ND1-OE1 3.98Å; H160-E332 PolarHBondContact ND1-OE1 3.4Å; H160-E332 IonicContact ND1-OE2 3.98Å; H160-E332 PolarHBondContact ND1-OE2 3.25Å; H160-Y335 AromaticContact CD2-CD1 3.9Å; H160-Y335 AromaticContact CD2-CD2 3.26Å; H160-Y335 WeakPolarHBondContact CD2-CD2 3.49Å; H160-Y335 AromaticContact CD2-CE2 3.61Å; H160-Y335 AromaticContact CD2-CG 3.4Å; H160-Y335 VanDerWaalsContact CD2-CG 3.4Å; H160-Y335 AromaticContact CE1-CD1 3.78Å; H160-Y335 AromaticContact CE1-CG 3.91Å; H160-Y335 AromaticContact CG-CD2 3.97Å; H160-Y335 AromaticContact CG-CG 3.83Å; H160-Y335 AromaticContact NE2-CD1 3.44Å; H160-Y335 WeakPolarHBondContact NE2-CD1 3.48Å; H160-Y335 AromaticContact NE2-CD2 3.67Å; H160-Y335 AromaticContact NE2-CE1 3.58Å; H160-Y335 AromaticContact NE2-CE2 3.77Å; H160-Y335 AromaticContact NE2-CG 3.49Å; H160-Y335 AromaticContact NE2-CZ 3.73Å |
| 161 | L | 93.8 | Very high | 95.4 | Very high | 46 Ų | 46 | 18.4 Ų | 18.4 | 24% | 0.241 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -1.3 | 179.1 | -64.2 | 169.7 | 0 | 0 | 0 | 113.4 | I28 I74 L157 I159 C163 Y335 L345 | I28-L161 HydrophobicContact CD1-CD1 3.74Å; I74-L161 HydrophobicContact CD1-CD1 4.31Å; L157-L161 HydrophobicContact CD2-CD1 4.48Å; L157-L161 VanDerWaalsContact O-CB 3.3Å; L157-L161 WeakPolarHBondContact O-CB 3.37Å; L157-L161 PolarHBondContact O-N 3.46Å; I159-L161 PolarHBondContact O-N 2.95Å; L161-C163 VanDerWaalsContact C-N 3.34Å; L161-C163 PolarHBondContact O-N 2.81Å; L161-Y335 HydrophobicContact CD2-CD2 4.44Å; L161-Y335 HydrophobicContact CD2-CE2 4.01Å; L161-L345 HydrophobicContact CD1-CD1 4.39Å; L161-L345 HydrophobicContact CD1-CD2 4.39Å; L161-L345 HydrophobicContact CD2-CD2 3.96Å |
| 162 | K | 95.1 | Very high | 95.4 | Very high | 143 Ų | 143 | 17.6 Ų | 17.6 | 62% | 0.622 | 9% | 0.085 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 47.5 | 177.4 | -59.6 | 179.2 | -175.5 | 173.9 | 0 | 113.3 | G158 I159 H160 G182 | G158-K162 WeakPolarHBondContact O-CA 3.31Å; G158-K162 PolarHBondContact O-N 2.68Å; I159-K162 PolarHBondContact O-N 2.94Å; I159-K162 VanDerWaalsContact O-N 3.17Å; H160-K162 VanDerWaalsContact C-N 3.3Å; K162-G182 CarbonylContact O-C 3.58Å; K162-G182 WeakPolarHBondContact O-CA 3.46Å |
| 163 | C | 95.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 16.2 Ų | 16.2 | 2% | 0.02 | 8% | 0.078 | C | C | . | . | trans | -137.7 | 164.2 | -168.6 | 72 | 0 | 0 | 0 | 0 | 113.7 | T26 G158 L161 | T26-C163 VanDerWaalsContact O-CB 3.3Å; T26-C163 WeakPolarHBondContact O-CB 3.28Å; G158-C163 PolarHBondContact O-N 3.28Å; L161-C163 VanDerWaalsContact C-N 3.34Å; L161-C163 PolarHBondContact O-N 2.81Å | ||
| 164 | P | 96.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.013 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 142.3 | -178.9 | -23 | 33.2 | 0 | 0 | 0 | 113.8 | L22 T25 T26 V27 I28 C184 L186 | L22-P164 HydrophobicContact CD1-CG 4.2Å; T25-P164 HydrophobicContact CG2-CG 4.29Å; T26-P164 WeakPolarHBondContact O-CD 3.43Å; V27-P164 WeakPolarHBondContact CA-O 3.35Å; V27-P164 HydrophobicContact CG1-CB 4.03Å; V27-P164 HydrophobicContact CG1-CG 4.23Å; I28-P164 PolarHBondContact N-O 3.33Å; P164-C184 CarbonylContact C-O 3.6Å; P164-C184 WeakPolarHBondContact CA-O 3.29Å; P164-L186 HydrophobicContact CB-CD1 3.81Å; P164-L186 HydrophobicContact CB-CG 4.16Å; P164-L186 HydrophobicContact CG-CD1 4.5Å |
| 165 | V | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 139.4 | 170.5 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | I28 V154 I155 F172 I176 C184 F185 L186 | I28-V165 HydrophobicContact CB-CG1 4.37Å; I28-V165 CarbonylContact O-C 3.48Å; I28-V165 VanDerWaalsContact O-CA 3.3Å; I28-V165 WeakPolarHBondContact O-CA 3.41Å; V154-V165 HydrophobicContact CG1-CB 4.04Å; V154-V165 HydrophobicContact CG1-CG1 3.99Å; I155-V165 HydrophobicContact CD1-CG2 4.17Å; V165-F172 HydrophobicContact CG2-CD1 4.16Å; V165-I176 HydrophobicContact CG2-CD1 4.13Å; V165-C184 WeakPolarHBondContact CG2-O 3.47Å; V165-C184 PolarHBondContact N-O 2.84Å; V165-F185 HydrophobicContact CG2-CB 4.21Å; V165-F185 HydrophobicContact CG2-CD2 4.2Å; V165-L186 PolarHBondContact O-N 2.65Å |
| 166 | I | 98 | Very high | 95 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 2% | 0.015 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 121.6 | -172.8 | -55.7 | 179.4 | 0 | 0 | 0 | 110.6 | L22 V27 I28 I29 D30 L186 L188 I191 | L22-I166 HydrophobicContact CD2-CD1 4.35Å; V27-I166 HydrophobicContact CB-CD1 3.86Å; V27-I166 HydrophobicContact CB-CG1 4.42Å; V27-I166 HydrophobicContact CG1-CD1 4.13Å; V27-I166 HydrophobicContact CG2-CD1 3.88Å; I28-I166 PolarHBondContact O-N 2.82Å; I29-I166 HydrophobicContact CB-CB 4.44Å; I29-I166 HydrophobicContact CD1-CD1 4.14Å; I29-I166 HydrophobicContact CG1-CB 4.13Å; I29-I166 HydrophobicContact CG1-CD1 4.13Å; I29-I166 HydrophobicContact CG1-CG1 4.45Å; I29-I166 HydrophobicContact CG2-CB 4.16Å; I29-I166 HydrophobicContact CG2-CG2 4.25Å; D30-I166 PolarHBondContact N-O 2.76Å; I166-L186 HydrophobicContact CG1-CB 4.3Å; I166-L186 HydrophobicContact CG1-CD1 4.43Å; I166-L188 HydrophobicContact CG2-CB 3.9Å; I166-L188 HydrophobicContact CG2-CD1 3.98Å; I166-L188 HydrophobicContact CG2-CG 4.47Å; I166-I191 HydrophobicContact CD1-CD1 3.85Å; I166-I191 HydrophobicContact CG1-CD1 4.22Å; I166-I191 HydrophobicContact CG2-CD1 3.68Å |
| 167 | S | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 168.2 | 173.1 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | D30 N33 D169 F185 P187 L188 | D30-S167 WeakPolarHBondContact OD2-CB 3.23Å; D30-S167 PolarHBondContact OD2-OG 3.21Å; N33-S167 PolarHBondContact ND2-OG 3.39Å; N33-S167 VanDerWaalsContact ND2-OG 3.11Å; S167-D169 PolarHBondContact OG-N 2.64Å; S167-F185 WeakPolarHBondContact O-CE2 3.44Å; S167-F185 WeakPolarHBondContact O-CZ 3.31Å; S167-P187 WeakPolarHBondContact O-CA 3.33Å; S167-L188 PolarHBondContact O-N 3.13Å |
| 168 | N | 95.7 | Very high | 93.8 | Very high | 41 Ų | 41 | 19.6 Ų | 19.6 | 22% | 0.219 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -102.8 | -0.1 | 160 | -72.7 | -49.8 | 0 | 0 | 0 | 113.5 | N33 L188 S189 | N33-N168 PolarHBondContact ND2-N 2.94Å; N33-N168 WeakPolarHBondContact OD1-CB 3.49Å; N33-N168 PolarHBondContact OD1-N 3.36Å; N168-L188 PolarHBondContact OD1-N 2.88Å; N168-S189 WeakPolarHBondContact OD1-CB 3.15Å; N168-S189 PolarHBondContact OD1-N 3.26Å; N168-S189 PolarHBondContact OD1-OG 3.07Å |
| 169 | D | 94 | Very high | 92.5 | Very high | 9 Ų | 9 | 27 Ų | 27 | 5% | 0.048 | 13% | 0.133 | C | C | . | . | trans | -68.8 | 145.6 | 176.4 | -145.9 | -31.9 | 0 | 0 | 0 | 111 | M1 G2 N33 S167 F172 | M1-D169 HydrophobicContact CB-CB 4.46Å; M1-D169 WeakPolarHBondContact CB-OD1 3.37Å; M1-D169 WeakPolarHBondContact CB-OD2 3.47Å; M1-D169 VanDerWaalsContact O-OD1 3.05Å; G2-D169 VanDerWaalsContact CA-OD1 3.31Å; G2-D169 WeakPolarHBondContact CA-OD1 3.42Å; G2-D169 PolarHBondContact N-OD1 2.93Å; N33-D169 PolarHBondContact ND2-N 3.09Å; N33-D169 VanDerWaalsContact ND2-N 3.17Å; S167-D169 PolarHBondContact OG-N 2.64Å; D169-F172 HydrophobicContact CB-CD2 3.91Å; D169-F172 HydrophobicContact CB-CE2 4.13Å | ||
| 170 | S | 94.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -85.4 | -16.4 | -174.2 | 68.7 | 0 | 0 | 0 | 0 | 113.5 | M1 V3 T7 F172 Y173 | M1-S170 PolarHBondContact O-OG 3.19Å; V3-S170 PolarHBondContact N-OG 3.41Å; V3-S170 PolarHBondContact O-OG 3.05Å; T7-S170 VanDerWaalsContact OG1-CB 3.25Å; T7-S170 WeakPolarHBondContact OG1-CB 3.39Å; S170-F172 PolarHBondContact O-N 3.44Å; S170-Y173 WeakPolarHBondContact O-CB 3.46Å; S170-Y173 WeakPolarHBondContact O-CD2 3.48Å; S170-Y173 PolarHBondContact O-N 3.39Å; S170-Y173 VanDerWaalsContact O-N 3.09Å |
| 171 | D | 93.3 | Very high | 90.8 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.027 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -24.9 | 172.7 | -73.8 | -43.1 | 0 | 0 | 0 | 112 | G2 V3 Y173 I174 S175 Y327 | G2-D171 WeakPolarHBondContact CA-OD2 3.32Å; V3-D171 WeakPolarHBondContact CG2-OD1 3.46Å; D171-Y173 VanDerWaalsContact C-N 3.26Å; D171-Y173 PolarHBondContact O-N 2.8Å; D171-I174 WeakPolarHBondContact O-CA 3.48Å; D171-I174 VanDerWaalsContact O-CB 3.32Å; D171-I174 WeakPolarHBondContact O-CB 3.47Å; D171-I174 PolarHBondContact O-N 3.41Å; D171-S175 PolarHBondContact O-N 2.84Å; D171-S175 PolarHBondContact O-OG 3.26Å; D171-S175 VanDerWaalsContact O-OG 3.09Å; D171-Y327 HydrophobicContact CB-CE1 3.89Å; D171-Y327 VanDerWaalsContact OD1-CE1 3.29Å; D171-Y327 WeakPolarHBondContact OD1-CE1 3.26Å; D171-Y327 PolarHBondContact OD1-OH 3.36Å |
| 172 | F | 94.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.1 | -21.1 | 170.2 | -72 | -92.3 | 0 | 0 | 0 | 114.5 | D30 D151 V154 I155 V165 D169 S170 I174 I176 F185 | D30-F172 HydrophobicContact CB-CZ 4.34Å; D151-F172 VanDerWaalsContact OD1-CE2 3.31Å; D151-F172 WeakPolarHBondContact OD1-CE2 3.43Å; V154-F172 HydrophobicContact CB-CE1 3.92Å; V154-F172 HydrophobicContact CB-CZ 4.02Å; V154-F172 HydrophobicContact CG1-CE1 3.54Å; V154-F172 HydrophobicContact CG1-CZ 3.97Å; V154-F172 HydrophobicContact CG2-CZ 4.41Å; I155-F172 HydrophobicContact CD1-CD1 3.67Å; I155-F172 HydrophobicContact CD1-CE1 3.99Å; I155-F172 HydrophobicContact CG1-CD1 4.19Å; I155-F172 HydrophobicContact CG1-CE1 4.06Å; V165-F172 HydrophobicContact CG2-CD1 4.16Å; D169-F172 HydrophobicContact CB-CD2 3.91Å; D169-F172 HydrophobicContact CB-CE2 4.13Å; S170-F172 PolarHBondContact O-N 3.44Å; F172-I174 PolarHBondContact O-N 3.4Å; F172-I176 WeakPolarHBondContact O-CB 2.97Å; F172-I176 WeakPolarHBondContact O-CG2 3.41Å; F172-F185 HydrophobicContact CB-CD1 3.96Å; F172-F185 HydrophobicContact CB-CD2 3.76Å; F172-F185 HydrophobicContact CB-CE1 3.69Å; F172-F185 HydrophobicContact CB-CE2 3.5Å; F172-F185 VanDerWaalsContact CB-CE2 3.5Å; F172-F185 HydrophobicContact CB-CG 4Å; F172-F185 HydrophobicContact CB-CZ 3.47Å; F172-F185 VanDerWaalsContact CB-CZ 3.47Å; F172-F185 HydrophobicContact CD1-CD2 4.41Å; F172-F185 HydrophobicContact CD1-CE2 4.42Å; F172-F185 HydrophobicContact CG-CD2 4.32Å; F172-F185 AromaticContact CG-CE2 3.98Å; F172-F185 HydrophobicContact CG-CE2 3.98Å; F172-F185 HydrophobicContact CG-CZ 4.3Å |
| 173 | Y | 94 | Very high | 90.1 | Very high | 3 Ų | 3 | 28 Ų | 28 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -74.7 | -14.4 | 169.6 | -64.1 | -70.9 | 0 | 0 | 0 | 112.7 | T7 L10 F17 S170 D171 F185 P187 F220 | T7-Y173 HydrophobicContact CG2-CE2 4.12Å; L10-Y173 HydrophobicContact CD1-CD1 3.4Å; L10-Y173 VanDerWaalsContact CD1-CD1 3.4Å; L10-Y173 HydrophobicContact CD1-CD2 3.78Å; L10-Y173 HydrophobicContact CD1-CE1 3.86Å; L10-Y173 HydrophobicContact CD1-CE2 4.25Å; L10-Y173 HydrophobicContact CD1-CG 3.37Å; F17-Y173 AromaticContact CE1-CE1 3.9Å; F17-Y173 HydrophobicContact CE1-CE1 3.9Å; F17-Y173 AromaticContact CZ-CE1 3.92Å; F17-Y173 HydrophobicContact CZ-CE1 3.92Å; S170-Y173 WeakPolarHBondContact O-CB 3.46Å; S170-Y173 WeakPolarHBondContact O-CD2 3.48Å; S170-Y173 PolarHBondContact O-N 3.39Å; S170-Y173 VanDerWaalsContact O-N 3.09Å; D171-Y173 VanDerWaalsContact C-N 3.26Å; D171-Y173 PolarHBondContact O-N 2.8Å; Y173-F185 AromaticContact CD1-CD1 3.77Å; Y173-F185 HydrophobicContact CD1-CD1 3.77Å; Y173-F185 AromaticContact CD1-CE1 3.64Å; Y173-F185 HydrophobicContact CD1-CE1 3.64Å; Y173-F185 HydrophobicContact CD2-CE1 4.07Å; Y173-F185 AromaticContact CE1-CD1 3.88Å; Y173-F185 HydrophobicContact CE1-CD1 3.88Å; Y173-F185 AromaticContact CE1-CE1 3.53Å; Y173-F185 HydrophobicContact CE1-CE1 3.53Å; Y173-F185 AromaticContact CE2-CE1 3.93Å; Y173-F185 HydrophobicContact CE2-CE1 3.93Å; Y173-F185 HydrophobicContact CG-CD1 4.3Å; Y173-F185 AromaticContact CG-CE1 3.91Å; Y173-F185 HydrophobicContact CG-CE1 3.91Å; Y173-F185 AromaticContact CZ-CE1 3.66Å; Y173-P187 HydrophobicContact CE1-CG 4.4Å; Y173-F220 HydrophobicContact CD1-CB 4.4Å; Y173-F220 AromaticContact CD1-CD1 3.72Å; Y173-F220 HydrophobicContact CD1-CD1 3.72Å; Y173-F220 AromaticContact CD1-CD2 3.61Å; Y173-F220 HydrophobicContact CD1-CD2 3.61Å; Y173-F220 AromaticContact CD1-CE1 3.8Å; Y173-F220 HydrophobicContact CD1-CE1 3.8Å; Y173-F220 AromaticContact CD1-CE2 3.71Å; Y173-F220 HydrophobicContact CD1-CE2 3.71Å; Y173-F220 AromaticContact CD1-CG 3.63Å; Y173-F220 HydrophobicContact CD1-CG 3.63Å; Y173-F220 AromaticContact CD1-CZ 3.8Å; Y173-F220 HydrophobicContact CD1-CZ 3.8Å; Y173-F220 HydrophobicContact CE1-CB 4.21Å; Y173-F220 HydrophobicContact CE1-CD1 4.36Å; Y173-F220 AromaticContact CE1-CD2 3.62Å; Y173-F220 HydrophobicContact CE1-CD2 3.62Å; Y173-F220 HydrophobicContact CE1-CE2 4.07Å; Y173-F220 AromaticContact CE1-CG 3.8Å; Y173-F220 HydrophobicContact CE1-CG 3.8Å |
| 174 | I | 93.4 | Very high | 90.1 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -101.2 | -47.3 | -175.6 | -59.8 | -63.4 | 0 | 0 | 0 | 111 | V3 L6 D171 F172 R235 A239 Y327 | V3-I174 HydrophobicContact CG2-CG1 3.93Å; L6-I174 HydrophobicContact CD2-CD1 3.65Å; L6-I174 HydrophobicContact CD2-CG1 3.83Å; D171-I174 WeakPolarHBondContact O-CA 3.48Å; D171-I174 VanDerWaalsContact O-CB 3.32Å; D171-I174 WeakPolarHBondContact O-CB 3.47Å; D171-I174 PolarHBondContact O-N 3.41Å; F172-I174 PolarHBondContact O-N 3.4Å; I174-R235 HydrophobicContact CD1-CB 4.14Å; I174-R235 HydrophobicContact CG2-CB 3.93Å; I174-A239 HydrophobicContact CD1-CB 4.22Å; I174-A239 HydrophobicContact CG1-CB 4.01Å; I174-A239 HydrophobicContact CG2-CB 4.13Å; I174-Y327 HydrophobicContact CB-CD1 4.25Å; I174-Y327 HydrophobicContact CB-CE1 4.04Å; I174-Y327 HydrophobicContact CG2-CD1 3.69Å; I174-Y327 HydrophobicContact CG2-CE1 3.73Å; I174-Y327 HydrophobicContact CG2-CG 4.24Å |
| 175 | S | 92 | Very high | 90 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 11% | 0.105 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -79.8 | -20.8 | -174.6 | 53.3 | 0 | 0 | 0 | 0 | 114.9 | I155 D171 | I155-S175 WeakPolarHBondContact CD1-OG 3.46Å; I155-S175 WeakPolarHBondContact CG1-OG 3.23Å; D171-S175 PolarHBondContact O-N 2.84Å; D171-S175 PolarHBondContact O-OG 3.26Å; D171-S175 VanDerWaalsContact O-OG 3.09Å |
| 176 | I | 91.4 | Very high | 90 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -61.6 | 130.7 | 176.6 | -170.6 | 75.7 | 0 | 0 | 0 | 110.6 | V165 F172 I183 F185 F220 I222 | V165-I176 HydrophobicContact CG2-CD1 4.13Å; F172-I176 WeakPolarHBondContact O-CB 2.97Å; F172-I176 WeakPolarHBondContact O-CG2 3.41Å; I176-I183 HydrophobicContact CD1-CD1 3.85Å; I176-I183 HydrophobicContact CD1-CG1 3.82Å; I176-F185 HydrophobicContact CB-CB 4.46Å; I176-F185 HydrophobicContact CD1-CB 4.22Å; I176-F185 HydrophobicContact CG1-CB 4.23Å; I176-F220 HydrophobicContact CG2-CD1 4.27Å; I176-F220 HydrophobicContact CG2-CE1 4.31Å; I176-I222 HydrophobicContact CG2-CD1 3.86Å; I176-I222 HydrophobicContact CG2-CG1 4.38Å; I176-I222 WeakPolarHBondContact O-CD1 3.47Å |
| 177 | P | 86.9 | Confident | 90 | Very high | 29 Ų | 29 | 28 Ų | 28 | 19% | 0.188 | 16% | 0.158 | C | C | . | . | trans | -87 | 155.6 | -175.6 | 31.6 | -32.3 | 0 | 0 | 0 | 113.5 | I159 Q180 I183 I222 | I159-P177 HydrophobicContact CD1-CG 4.27Å; I159-P177 HydrophobicContact CG1-CG 4.31Å; P177-Q180 HydrophobicContact CG-CB 4.46Å; P177-I183 HydrophobicContact CG-CD1 4.38Å; P177-I183 HydrophobicContact CG-CG2 4.12Å; P177-I222 VanDerWaalsContact C-CD1 3.46Å; P177-I222 WeakPolarHBondContact O-CD1 3.46Å | ||
| 178 | N | 79.1 | Confident | 89.9 | Confident | 36 Ų | 36 | 28 Ų | 28 | 19% | 0.193 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -73.9 | -40 | -178.2 | -69 | 0.3 | 0 | 0 | 0 | 114.7 | I222 T232 R235 | N178-I222 VanDerWaalsContact OD1-CD1 3.25Å; N178-I222 WeakPolarHBondContact OD1-CD1 3.47Å; N178-T232 VanDerWaalsContact CG-OG1 3.29Å; N178-T232 PolarHBondContact ND2-OG1 3.19Å; N178-T232 VanDerWaalsContact ND2-OG1 3.1Å; N178-T232 PolarHBondContact OD1-OG1 3.18Å; N178-R235 VanDerWaalsContact OD1-CZ 3.25Å; N178-R235 PolarHBondContact OD1-NH1 2.97Å; N178-R235 PolarHBondContact OD1-NH2 3.18Å |
| 179 | H | 69.1 | Low | 89.9 | Confident | 156 Ų | 156 | 28.7 Ų | 28.7 | 72% | 0.722 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -129.5 | 49.2 | -156.2 | -57.6 | -47.7 | 0 | 0 | 0 | 112.1 | H223 | H179-H223 AromaticContact CE1-CE1 3.93Å; H179-H223 AromaticContact CE1-NE2 3.76Å |
| 180 | Q | 76 | Confident | 89.9 | Confident | 90 Ų | 90 | 31.5 Ų | 31.5 | 42% | 0.421 | 18% | 0.177 | S | C | . | . | trans | -128.9 | 134.2 | 172.1 | -73.7 | 176.2 | -19.8 | 0 | 0 | 109.6 | P177 I183 | P177-Q180 HydrophobicContact CG-CB 4.46Å; Q180-I183 HydrophobicContact CB-CG2 3.91Å | ||
| 181 | V | 78.6 | Confident | 90 | Very high | 133 Ų | 133 | 32 Ų | 32 | 81% | 0.806 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -80 | 141 | -177.2 | -178 | 0 | 0 | 0 | 0 | 109.8 | I183 | V181-I183 VanDerWaalsContact C-N 3.34Å; V181-I183 PolarHBondContact O-N 3.26Å |
| 182 | G | 81.1 | Confident | 90.1 | Very high | 41 Ų | 41 | 34.3 Ų | 34.3 | 42% | 0.423 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 90 | -36.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | K162 | K162-G182 CarbonylContact O-C 3.58Å; K162-G182 WeakPolarHBondContact O-CA 3.46Å |
| 183 | I | 93 | Very high | 90.1 | Very high | 12 Ų | 12 | 35.5 Ų | 35.5 | 6% | 0.062 | 20% | 0.201 | C | C | . | . | trans | -72.7 | 140.9 | 177.1 | -161.8 | -179.9 | 0 | 0 | 0 | 112.2 | I159 I176 P177 Q180 V181 | I159-I183 HydrophobicContact CB-CD1 4.42Å; I159-I183 HydrophobicContact CG1-CD1 3.54Å; I176-I183 HydrophobicContact CD1-CD1 3.85Å; I176-I183 HydrophobicContact CD1-CG1 3.82Å; P177-I183 HydrophobicContact CG-CD1 4.38Å; P177-I183 HydrophobicContact CG-CG2 4.12Å; Q180-I183 HydrophobicContact CB-CG2 3.91Å; V181-I183 VanDerWaalsContact C-N 3.34Å; V181-I183 PolarHBondContact O-N 3.26Å | ||
| 184 | C | 94.5 | Very high | 90.1 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.027 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 156.2 | 168.2 | 66.1 | 0 | 0 | 0 | 0 | 111.7 | P164 V165 K219 | P164-C184 CarbonylContact C-O 3.6Å; P164-C184 WeakPolarHBondContact CA-O 3.29Å; V165-C184 WeakPolarHBondContact CG2-O 3.47Å; V165-C184 PolarHBondContact N-O 2.84Å; C184-K219 HydrophobicContact CB-CD 3.64Å; C184-K219 HydrophobicContact CB-CG 4.03Å |
| 185 | F | 96.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 127.1 | 171.3 | 177.8 | -140.5 | 0 | 0 | 0 | 111 | V165 S167 F172 Y173 I176 P187 F220 | V165-F185 HydrophobicContact CG2-CB 4.21Å; V165-F185 HydrophobicContact CG2-CD2 4.2Å; S167-F185 WeakPolarHBondContact O-CE2 3.44Å; S167-F185 WeakPolarHBondContact O-CZ 3.31Å; F172-F185 HydrophobicContact CB-CD1 3.96Å; F172-F185 HydrophobicContact CB-CD2 3.76Å; F172-F185 HydrophobicContact CB-CE1 3.69Å; F172-F185 HydrophobicContact CB-CE2 3.5Å; F172-F185 VanDerWaalsContact CB-CE2 3.5Å; F172-F185 HydrophobicContact CB-CG 4Å; F172-F185 HydrophobicContact CB-CZ 3.47Å; F172-F185 VanDerWaalsContact CB-CZ 3.47Å; F172-F185 HydrophobicContact CD1-CD2 4.41Å; F172-F185 HydrophobicContact CD1-CE2 4.42Å; F172-F185 HydrophobicContact CG-CD2 4.32Å; F172-F185 AromaticContact CG-CE2 3.98Å; F172-F185 HydrophobicContact CG-CE2 3.98Å; F172-F185 HydrophobicContact CG-CZ 4.3Å; Y173-F185 AromaticContact CD1-CD1 3.77Å; Y173-F185 HydrophobicContact CD1-CD1 3.77Å; Y173-F185 AromaticContact CD1-CE1 3.64Å; Y173-F185 HydrophobicContact CD1-CE1 3.64Å; Y173-F185 HydrophobicContact CD2-CE1 4.07Å; Y173-F185 AromaticContact CE1-CD1 3.88Å; Y173-F185 HydrophobicContact CE1-CD1 3.88Å; Y173-F185 AromaticContact CE1-CE1 3.53Å; Y173-F185 HydrophobicContact CE1-CE1 3.53Å; Y173-F185 AromaticContact CE2-CE1 3.93Å; Y173-F185 HydrophobicContact CE2-CE1 3.93Å; Y173-F185 HydrophobicContact CG-CD1 4.3Å; Y173-F185 AromaticContact CG-CE1 3.91Å; Y173-F185 HydrophobicContact CG-CE1 3.91Å; Y173-F185 AromaticContact CZ-CE1 3.66Å; I176-F185 HydrophobicContact CB-CB 4.46Å; I176-F185 HydrophobicContact CD1-CB 4.22Å; I176-F185 HydrophobicContact CG1-CB 4.23Å; F185-P187 HydrophobicContact CE1-CG 4.25Å; F185-P187 HydrophobicContact CZ-CG 4.42Å; F185-F220 HydrophobicContact CB-CB 4.34Å; F185-F220 HydrophobicContact CD1-CB 4.08Å; F185-F220 HydrophobicContact CD1-CD1 4.38Å; F185-F220 HydrophobicContact CD1-CG 4.43Å; F185-F220 PolarHBondContact O-N 3.26Å |
| 186 | L | 97.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 109 | 173 | -51.6 | -179.7 | 0 | 0 | 0 | 108.6 | Y20 L22 P164 V165 I166 L188 I191 K219 | Y20-L186 HydrophobicContact CD1-CD1 4.31Å; Y20-L186 HydrophobicContact CD1-CD2 3.99Å; Y20-L186 HydrophobicContact CE1-CD1 4.38Å; Y20-L186 HydrophobicContact CE1-CD2 4.46Å; Y20-L186 HydrophobicContact CG-CD2 4.36Å; L22-L186 HydrophobicContact CD1-CD1 3.99Å; L22-L186 HydrophobicContact CD2-CD1 4.06Å; L22-L186 HydrophobicContact CG-CD1 4.5Å; P164-L186 HydrophobicContact CB-CD1 3.81Å; P164-L186 HydrophobicContact CB-CG 4.16Å; P164-L186 HydrophobicContact CG-CD1 4.5Å; V165-L186 PolarHBondContact O-N 2.65Å; I166-L186 HydrophobicContact CG1-CB 4.3Å; I166-L186 HydrophobicContact CG1-CD1 4.43Å; L186-L188 PolarHBondContact O-N 3.12Å; L186-I191 HydrophobicContact CB-CD1 4.37Å; L186-K219 HydrophobicContact CD2-CB 3.7Å; L186-K219 HydrophobicContact CD2-CG 4.33Å |
| 187 | P | 96.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 123.4 | 174.2 | -21.9 | 32.8 | 0 | 0 | 0 | 110.4 | F17 S167 Y173 F185 S189 Y190 Q218 | F17-P187 HydrophobicContact CD1-CG 4.31Å; F17-P187 HydrophobicContact CE1-CG 3.7Å; S167-P187 WeakPolarHBondContact O-CA 3.33Å; Y173-P187 HydrophobicContact CE1-CG 4.4Å; F185-P187 HydrophobicContact CE1-CG 4.25Å; F185-P187 HydrophobicContact CZ-CG 4.42Å; P187-S189 PolarHBondContact O-N 3.08Å; P187-Y190 HydrophobicContact CB-CD2 3.95Å; P187-Y190 HydrophobicContact CB-CG 4.29Å; P187-Y190 HydrophobicContact CG-CD2 3.95Å; P187-Y190 WeakPolarHBondContact O-CA 3.11Å; P187-Y190 WeakPolarHBondContact O-CB 3.25Å; P187-Y190 PolarHBondContact O-N 2.78Å; P187-Q218 WeakPolarHBondContact CD-O 3.43Å |
| 188 | L | 96.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -58.2 | -35.9 | -174.5 | 170.7 | 62.2 | 0 | 0 | 0 | 112.6 | F34 F37 I166 S167 N168 L186 Y190 I191 F193 | F34-L188 HydrophobicContact CB-CD2 4.14Å; F34-L188 HydrophobicContact CD2-CD1 3.74Å; F34-L188 HydrophobicContact CD2-CD2 3.84Å; F34-L188 HydrophobicContact CD2-CG 4.48Å; F34-L188 HydrophobicContact CE2-CD1 4.04Å; F34-L188 HydrophobicContact CG-CD2 4.4Å; F37-L188 HydrophobicContact CB-CD2 3.69Å; F37-L188 HydrophobicContact CB-CG 4.45Å; F37-L188 HydrophobicContact CD1-CD1 4.04Å; F37-L188 HydrophobicContact CD1-CD2 3.72Å; F37-L188 HydrophobicContact CD1-CG 3.77Å; F37-L188 HydrophobicContact CD2-CG 4.48Å; F37-L188 HydrophobicContact CE1-CD1 4.12Å; F37-L188 HydrophobicContact CE1-CG 4.11Å; F37-L188 HydrophobicContact CG-CD2 3.74Å; F37-L188 HydrophobicContact CG-CG 3.98Å; I166-L188 HydrophobicContact CG2-CB 3.9Å; I166-L188 HydrophobicContact CG2-CD1 3.98Å; I166-L188 HydrophobicContact CG2-CG 4.47Å; S167-L188 PolarHBondContact O-N 3.13Å; N168-L188 PolarHBondContact OD1-N 2.88Å; L186-L188 PolarHBondContact O-N 3.12Å; L188-Y190 PolarHBondContact O-N 2.84Å; L188-Y190 VanDerWaalsContact O-N 3.09Å; L188-I191 HydrophobicContact CD1-CD1 4.37Å; L188-I191 PolarHBondContact O-N 3.26Å; L188-I191 VanDerWaalsContact O-N 3.15Å; L188-F193 HydrophobicContact CD1-CE2 3.76Å; L188-F193 HydrophobicContact CD1-CZ 3.54Å |
| 189 | S | 94.3 | Very high | 90.5 | Very high | 57 Ų | 57 | 55.3 Ų | 55.3 | 40% | 0.399 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -64.1 | -10.7 | 175.1 | 68.8 | 0 | 0 | 0 | 0 | 114.5 | N168 P187 | N168-S189 WeakPolarHBondContact OD1-CB 3.15Å; N168-S189 PolarHBondContact OD1-N 3.26Å; N168-S189 PolarHBondContact OD1-OG 3.07Å; P187-S189 PolarHBondContact O-N 3.08Å |
| 190 | Y | 95.8 | Very high | 91.1 | Very high | 67 Ų | 67 | 54.3 Ų | 54.3 | 26% | 0.263 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -108.1 | 10.6 | 178.8 | -67.4 | -18.3 | 0 | 0 | 0 | 112.9 | Q11 F17 P187 L188 C217 Q218 | Q11-Y190 WeakPolarHBondContact CB-OH 3.33Å; Q11-Y190 HydrophobicContact CG-CE2 4.25Å; Q11-Y190 WeakPolarHBondContact CG-OH 3.44Å; Q11-Y190 PolarHBondContact NE2-OH 3.32Å; F17-Y190 HydrophobicContact CD1-CD2 4.12Å; F17-Y190 AromaticContact CD1-CE2 3.93Å; F17-Y190 HydrophobicContact CD1-CE2 3.93Å; F17-Y190 HydrophobicContact CD2-CE2 4.15Å; F17-Y190 HydrophobicContact CE1-CD2 4.26Å; F17-Y190 AromaticContact CE1-CE2 3.9Å; F17-Y190 HydrophobicContact CE1-CE2 3.9Å; F17-Y190 HydrophobicContact CE2-CE2 4.12Å; F17-Y190 HydrophobicContact CG-CE2 4.06Å; F17-Y190 HydrophobicContact CZ-CE2 4Å; P187-Y190 HydrophobicContact CB-CD2 3.95Å; P187-Y190 HydrophobicContact CB-CG 4.29Å; P187-Y190 HydrophobicContact CG-CD2 3.95Å; P187-Y190 WeakPolarHBondContact O-CA 3.11Å; P187-Y190 WeakPolarHBondContact O-CB 3.25Å; P187-Y190 PolarHBondContact O-N 2.78Å; L188-Y190 PolarHBondContact O-N 2.84Å; L188-Y190 VanDerWaalsContact O-N 3.09Å; Y190-C217 CarbonylContact O-C 3.51Å; Y190-C217 WeakPolarHBondContact O-CA 3.45Å; Y190-C217 VanDerWaalsContact O-CB 3.29Å; Y190-C217 WeakPolarHBondContact O-CB 3.35Å; Y190-Q218 HydrophobicContact CD2-CB 4.04Å; Y190-Q218 HydrophobicContact CG-CB 4.4Å; Y190-Q218 PolarHBondContact O-N 3.42Å |
| 191 | I | 96.4 | Very high | 91.4 | Very high | 13 Ų | 13 | 54.6 Ų | 54.6 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | trans | -98.7 | 119.3 | 174.5 | -55.2 | 177 | 0 | 0 | 0 | 109.7 | I166 L186 L188 F193 L215 C217 | I166-I191 HydrophobicContact CD1-CD1 3.85Å; I166-I191 HydrophobicContact CG1-CD1 4.22Å; I166-I191 HydrophobicContact CG2-CD1 3.68Å; L186-I191 HydrophobicContact CB-CD1 4.37Å; L188-I191 HydrophobicContact CD1-CD1 4.37Å; L188-I191 PolarHBondContact O-N 3.26Å; L188-I191 VanDerWaalsContact O-N 3.15Å; I191-F193 HydrophobicContact CB-CD2 4.39Å; I191-F193 HydrophobicContact CB-CE2 3.74Å; I191-F193 HydrophobicContact CB-CZ 3.92Å; I191-F193 HydrophobicContact CD1-CZ 4.34Å; I191-F193 HydrophobicContact CG2-CD1 4.33Å; I191-F193 HydrophobicContact CG2-CD2 4.12Å; I191-F193 HydrophobicContact CG2-CE1 3.98Å; I191-F193 HydrophobicContact CG2-CE2 3.75Å; I191-F193 HydrophobicContact CG2-CG 4.41Å; I191-F193 HydrophobicContact CG2-CZ 3.66Å; I191-F193 WeakPolarHBondContact O-CD2 3.28Å; I191-L215 HydrophobicContact CG2-CB 4.38Å; I191-L215 HydrophobicContact CG2-CD1 4.13Å; I191-C217 HydrophobicContact CB-CB 4.11Å; I191-C217 HydrophobicContact CG1-CB 3.76Å; I191-C217 HydrophobicContact CG2-CB 4.29Å | ||
| 192 | S | 95.5 | Very high | 91.7 | Very high | 52 Ų | 52 | 50 Ų | 50 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | trans | -78.5 | 122 | 163.4 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | E194 L215 K216 | S192-E194 PolarHBondContact O-N 3.04Å; S192-L215 WeakPolarHBondContact O-CB 3.25Å; S192-K216 WeakPolarHBondContact CB-O 3.42Å; S192-K216 PolarHBondContact N-O 3.45Å | ||
| 193 | F | 93.2 | Very high | 91.9 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | trans | -88.4 | 19.1 | 178.4 | -70.4 | -86.4 | 0 | 0 | 0 | 113.5 | F34 F37 F62 S65 L66 L188 I191 P195 L215 | F34-F193 HydrophobicContact CE2-CE1 4.16Å; F34-F193 AromaticContact CE2-CZ 3.94Å; F34-F193 HydrophobicContact CE2-CZ 3.94Å; F37-F193 HydrophobicContact CE1-CE2 4.11Å; F62-F193 HydrophobicContact CD1-CB 3.81Å; F62-F193 AromaticContact CD1-CD1 3.55Å; F62-F193 HydrophobicContact CD1-CD1 3.55Å; F62-F193 AromaticContact CD1-CD2 3.82Å; F62-F193 HydrophobicContact CD1-CD2 3.82Å; F62-F193 HydrophobicContact CD1-CE1 4.05Å; F62-F193 HydrophobicContact CD1-CE2 4.28Å; F62-F193 AromaticContact CD1-CG 3.42Å; F62-F193 HydrophobicContact CD1-CG 3.42Å; F62-F193 VanDerWaalsContact CD1-CG 3.42Å; F62-F193 HydrophobicContact CD1-CZ 4.39Å; F62-F193 HydrophobicContact CE1-CB 3.74Å; F62-F193 HydrophobicContact CE1-CD1 4.09Å; F62-F193 AromaticContact CE1-CD2 3.46Å; F62-F193 HydrophobicContact CE1-CD2 3.46Å; F62-F193 VanDerWaalsContact CE1-CD2 3.46Å; F62-F193 HydrophobicContact CE1-CE2 4.07Å; F62-F193 AromaticContact CE1-CG 3.47Å; F62-F193 HydrophobicContact CE1-CG 3.47Å; F62-F193 VanDerWaalsContact CE1-CG 3.47Å; F62-F193 HydrophobicContact CG-CD1 4.45Å; F62-F193 HydrophobicContact CG-CG 4.46Å; F62-F193 HydrophobicContact CZ-CB 4.39Å; S65-F193 WeakPolarHBondContact CB-O 3.2Å; S65-F193 PolarHBondContact OG-O 3.38Å; L66-F193 HydrophobicContact CD2-CE1 4.33Å; L188-F193 HydrophobicContact CD1-CE2 3.76Å; L188-F193 HydrophobicContact CD1-CZ 3.54Å; I191-F193 HydrophobicContact CB-CD2 4.39Å; I191-F193 HydrophobicContact CB-CE2 3.74Å; I191-F193 HydrophobicContact CB-CZ 3.92Å; I191-F193 HydrophobicContact CD1-CZ 4.34Å; I191-F193 HydrophobicContact CG2-CD1 4.33Å; I191-F193 HydrophobicContact CG2-CD2 4.12Å; I191-F193 HydrophobicContact CG2-CE1 3.98Å; I191-F193 HydrophobicContact CG2-CE2 3.75Å; I191-F193 HydrophobicContact CG2-CG 4.41Å; I191-F193 HydrophobicContact CG2-CZ 3.66Å; I191-F193 WeakPolarHBondContact O-CD2 3.28Å; F193-P195 WeakPolarHBondContact O-CD 3.37Å; F193-L215 HydrophobicContact CD1-CD1 3.99Å; F193-L215 HydrophobicContact CE1-CD1 4.35Å | ||
| 194 | E | 94.8 | Very high | 91.5 | Very high | 143 Ų | 143 | 56.9 Ų | 56.9 | 67% | 0.668 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -94.5 | 115.5 | 169.9 | -175.9 | 165.8 | -150.5 | 0 | 0 | 110.3 | S192 I196 | S192-E194 PolarHBondContact O-N 3.04Å; E194-I196 PolarHBondContact O-N 3.36Å |
| 195 | P | 95.1 | Very high | 91 | Very high | 25 Ų | 25 | 57 Ų | 57 | 16% | 0.162 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 110.5 | 179.1 | -23.8 | 36.9 | 0 | 0 | 0 | 112.5 | R68 F193 A213 L215 | R68-P195 HydrophobicContact CB-CB 4.11Å; R68-P195 HydrophobicContact CB-CG 4.01Å; F193-P195 WeakPolarHBondContact O-CD 3.37Å; P195-A213 HydrophobicContact CB-CB 4.43Å; P195-L215 HydrophobicContact CB-CD2 4.46Å; P195-L215 HydrophobicContact CG-CD2 4.14Å |
| 196 | I | 95.7 | Very high | 90.5 | Very high | 63 Ų | 63 | 62.4 Ų | 62.4 | 32% | 0.323 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 129.6 | 175.1 | -54.9 | 178.1 | 0 | 0 | 0 | 108.6 | E194 A213 Y214 K216 | E194-I196 PolarHBondContact O-N 3.36Å; I196-A213 CarbonylContact O-C 3.59Å; I196-A213 WeakPolarHBondContact O-CA 3.42Å; I196-A213 WeakPolarHBondContact O-CB 3.26Å; I196-Y214 HydrophobicContact CB-CD1 4.19Å; I196-Y214 HydrophobicContact CB-CE1 3.75Å; I196-Y214 HydrophobicContact CB-CE2 4.24Å; I196-Y214 HydrophobicContact CD1-CE2 4.07Å; I196-Y214 HydrophobicContact CG2-CD1 4.48Å; I196-Y214 HydrophobicContact CG2-CE1 3.64Å; I196-Y214 PolarHBondContact N-O 2.92Å; I196-Y214 WeakPolarHBondContact O-CD1 3.34Å; I196-Y214 PolarHBondContact O-N 3.5Å; I196-K216 HydrophobicContact CD1-CB 3.89Å |
| 197 | M | 93.3 | Very high | 89.8 | Confident | 94 Ų | 94 | 69.6 Ų | 69.6 | 46% | 0.463 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 132.1 | 176.2 | -62.8 | -49.1 | -53.4 | 0 | 0 | 110.8 | C212 A213 | M197-C212 WeakPolarHBondContact CE-O 3.4Å; M197-A213 HydrophobicContact CE-CB 4.17Å; M197-A213 HydrophobicContact SD-CB 3.89Å |
| 198 | N | 85.7 | Confident | 89.1 | Confident | 36 Ų | 36 | 72 Ų | 72 | 19% | 0.193 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 131 | 172.5 | -97.1 | -22.6 | 0 | 0 | 0 | 110.4 | I200 C212 Y214 | N198-I200 VanDerWaalsContact C-N 3.33Å; N198-I200 WeakPolarHBondContact CB-O 3.09Å; N198-C212 HydrophobicContact CB-CB 4Å; N198-C212 PolarHBondContact N-O 2.9Å; N198-C212 PolarHBondContact ND2-SG 3.35Å; N198-C212 VanDerWaalsContact ND2-SG 3.45Å; N198-Y214 WeakPolarHBondContact OD1-CD1 3.47Å; N198-Y214 WeakPolarHBondContact OD1-CE1 3.21Å |
| 199 | T | 82.4 | Confident | 88.3 | Confident | 146 Ų | 146 | 80.6 Ų | 80.6 | 90% | 0.896 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -70.8 | -30 | 174.2 | 49 | 0 | 0 | 0 | 0 | 112.4 | ||
| 200 | I | 81.5 | Confident | 87.6 | Confident | 136 Ų | 136 | 83.1 Ų | 83.1 | 70% | 0.697 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -109.7 | 120.2 | 174.5 | -56.9 | 175.9 | 0 | 0 | 0 | 107.6 | N198 C202 | N198-I200 VanDerWaalsContact C-N 3.33Å; N198-I200 WeakPolarHBondContact CB-O 3.09Å; I200-C202 PolarHBondContact O-N 3.03Å |
| 201 | Q | 80.7 | Confident | 87 | Confident | 96 Ų | 96 | 83.9 Ų | 83.9 | 45% | 0.449 | 44% | 0.437 | S | S | . | . | trans | -70.8 | 131.5 | 171.7 | -63.7 | -173.8 | 3.2 | 0 | 0 | 109.3 | Q206 C212 | Q201-Q206 HydrophobicContact CB-CB 4.33Å; Q201-C212 HydrophobicContact CB-CB 4.31Å; Q201-C212 HydrophobicContact CG-CB 4.09Å | ||
| 202 | C | 86 | Confident | 86.8 | Confident | 35 Ų | 35 | 83.4 Ų | 83.4 | 24% | 0.236 | 43% | 0.434 | C | S | . | . | trans | -77.4 | 155.5 | 165.9 | 62.8 | 0 | 0 | 0 | 0 | 110.3 | N24 I200 L204 C205 Q206 C212 | N24-C202 PolarHBondContact ND2-SG 2.89Å; I200-C202 PolarHBondContact O-N 3.03Å; C202-L204 VanDerWaalsContact C-N 3.26Å; C202-L204 PolarHBondContact O-N 3.42Å; C202-L204 VanDerWaalsContact O-N 3.08Å; C202-C205 PolarHBondContact O-N 3.34Å; C202-C205 VanDerWaalsContact SG-SG 3.64Å; C202-Q206 PolarHBondContact O-N 3.11Å; C202-C212 VanDerWaalsContact SG-SG 3.68Å | ||
| 203 | D | 85 | Confident | 86.7 | Confident | 94 Ų | 94 | 81 Ų | 81 | 50% | 0.503 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -41.2 | -47.1 | -178.6 | -74 | 47.3 | 0 | 0 | 0 | 114.9 | C205 Q206 K207 | D203-C205 VanDerWaalsContact C-N 3.35Å; D203-C205 PolarHBondContact O-N 3.16Å; D203-Q206 PolarHBondContact O-N 3.35Å; D203-K207 HydrophobicContact CB-CD 4.46Å; D203-K207 WeakPolarHBondContact O-CB 3.32Å; D203-K207 WeakPolarHBondContact O-CD 3.48Å; D203-K207 WeakPolarHBondContact O-CG 3.14Å; D203-K207 PolarHBondContact O-N 3.31Å; D203-K207 IonicContact OD2-NZ 2.69Å; D203-K207 PolarHBondContact OD2-NZ 2.95Å |
| 204 | L | 83.8 | Confident | 86.8 | Confident | 105 Ų | 105 | 81.3 Ų | 81.3 | 55% | 0.55 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.3 | -36.7 | -177.1 | -63.3 | 176.9 | 0 | 0 | 0 | 112.4 | N24 C202 S208 | N24-L204 HydrophobicContact CB-CD1 4.15Å; C202-L204 VanDerWaalsContact C-N 3.26Å; C202-L204 PolarHBondContact O-N 3.42Å; C202-L204 VanDerWaalsContact O-N 3.08Å; L204-S208 WeakPolarHBondContact O-CB 3.38Å; L204-S208 PolarHBondContact O-N 2.92Å; L204-S208 PolarHBondContact O-OG 2.88Å |
| 205 | C | 85.6 | Confident | 86.9 | Confident | 6 Ų | 6 | 74.5 Ų | 74.5 | 4% | 0.041 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -75.4 | -38.9 | 176.2 | -66.5 | 0 | 0 | 0 | 0 | 111.1 | C202 D203 S208 H209 K210 C212 | C202-C205 PolarHBondContact O-N 3.34Å; C202-C205 VanDerWaalsContact SG-SG 3.64Å; D203-C205 VanDerWaalsContact C-N 3.35Å; D203-C205 PolarHBondContact O-N 3.16Å; C205-S208 CarbonylContact O-C 2.99Å; C205-S208 PolarHBondContact O-N 3.17Å; C205-S208 PolarHBondContact O-OG 3.39Å; C205-H209 PolarHBondContact O-N 3.3Å; C205-K210 PolarHBondContact O-N 3.01Å; C205-C212 HydrophobicContact CB-CB 3.7Å; C205-C212 VanDerWaalsContact SG-SG 3.64Å |
| 206 | Q | 84.5 | Confident | 87 | Confident | 116 Ų | 116 | 77.2 Ų | 77.2 | 54% | 0.542 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.1 | -50.8 | 176.5 | -168.3 | -178.1 | 14 | 0 | 0 | 111.4 | Q201 C202 D203 S208 H209 | Q201-Q206 HydrophobicContact CB-CB 4.33Å; C202-Q206 PolarHBondContact O-N 3.11Å; D203-Q206 PolarHBondContact O-N 3.35Å; Q206-S208 PolarHBondContact O-N 2.81Å; Q206-H209 PolarHBondContact O-N 3.4Å; Q206-H209 VanDerWaalsContact O-N 3.12Å |
| 207 | K | 84 | Confident | 87.1 | Confident | 150 Ų | 150 | 74.3 Ų | 74.3 | 65% | 0.652 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.5 | -25.4 | 177 | -71.2 | 165.2 | -176 | 162.9 | 0 | 113.3 | D203 | D203-K207 HydrophobicContact CB-CD 4.46Å; D203-K207 WeakPolarHBondContact O-CB 3.32Å; D203-K207 WeakPolarHBondContact O-CD 3.48Å; D203-K207 WeakPolarHBondContact O-CG 3.14Å; D203-K207 PolarHBondContact O-N 3.31Å; D203-K207 IonicContact OD2-NZ 2.69Å; D203-K207 PolarHBondContact OD2-NZ 2.95Å |
| 208 | S | 80.8 | Confident | 87.2 | Confident | 50 Ų | 50 | 72.9 Ų | 72.9 | 35% | 0.35 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 5 | 177.3 | 62.1 | 0 | 0 | 0 | 0 | 114.5 | L204 C205 Q206 K210 | L204-S208 WeakPolarHBondContact O-CB 3.38Å; L204-S208 PolarHBondContact O-N 2.92Å; L204-S208 PolarHBondContact O-OG 2.88Å; C205-S208 CarbonylContact O-C 2.99Å; C205-S208 PolarHBondContact O-N 3.17Å; C205-S208 PolarHBondContact O-OG 3.39Å; Q206-S208 PolarHBondContact O-N 2.81Å; S208-K210 PolarHBondContact O-N 2.8Å; S208-K210 VanDerWaalsContact O-N 3.17Å |
| 209 | H | 79.7 | Confident | 87.7 | Confident | 181 Ų | 181 | 74.3 Ų | 74.3 | 84% | 0.838 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 31.7 | -175.2 | -59.2 | -73.5 | 0 | 0 | 0 | 114.3 | C205 Q206 | C205-H209 PolarHBondContact O-N 3.3Å; Q206-H209 PolarHBondContact O-N 3.4Å; Q206-H209 VanDerWaalsContact O-N 3.12Å |
| 210 | K | 79.7 | Confident | 88.3 | Confident | 110 Ų | 110 | 67.8 Ų | 67.8 | 48% | 0.478 | 34% | 0.337 | S | S | . | . | trans | -99.6 | 146.2 | -178.3 | -74.1 | 176.1 | -174.6 | 172.5 | 0 | 112 | C205 S208 C212 | C205-K210 PolarHBondContact O-N 3.01Å; S208-K210 PolarHBondContact O-N 2.8Å; S208-K210 VanDerWaalsContact O-N 3.17Å; K210-C212 PolarHBondContact O-N 3.37Å; K210-C212 VanDerWaalsContact O-N 3.1Å | ||
| 211 | S | 83.2 | Confident | 88.9 | Confident | 84 Ų | 84 | 64.3 Ų | 64.3 | 59% | 0.587 | 32% | 0.32 | S | S | * | . | trans | -62.2 | 109.5 | 172 | 61.6 | 0 | 0 | 0 | 0 | 110.6 | A213 | S211-A213 PolarHBondContact O-N 3.35Š| ||
| 212 | C | 91.7 | Very high | 89.2 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.014 | 30% | 0.304 | C | S | . | . | trans | -70.5 | 122.9 | -179.2 | -167.7 | 0 | 0 | 0 | 0 | 110.8 | M197 N198 Q201 C202 C205 K210 | M197-C212 WeakPolarHBondContact CE-O 3.4Å; N198-C212 HydrophobicContact CB-CB 4Å; N198-C212 PolarHBondContact N-O 2.9Å; N198-C212 PolarHBondContact ND2-SG 3.35Å; N198-C212 VanDerWaalsContact ND2-SG 3.45Å; Q201-C212 HydrophobicContact CB-CB 4.31Å; Q201-C212 HydrophobicContact CG-CB 4.09Å; C202-C212 VanDerWaalsContact SG-SG 3.68Å; C205-C212 HydrophobicContact CB-CB 3.7Å; C205-C212 VanDerWaalsContact SG-SG 3.64Å; K210-C212 PolarHBondContact O-N 3.37Å; K210-C212 VanDerWaalsContact O-N 3.1Å | ||
| 213 | A | 94.5 | Very high | 89.2 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 3% | 0.025 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 157.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | H23 C69 P195 I196 M197 S211 | H23-A213 WeakPolarHBondContact CB-O 3.4Å; C69-A213 VanDerWaalsContact CA-O 3.31Å; C69-A213 WeakPolarHBondContact CA-O 3.46Å; C69-A213 WeakPolarHBondContact CB-O 3.43Å; P195-A213 HydrophobicContact CB-CB 4.43Å; I196-A213 CarbonylContact O-C 3.59Å; I196-A213 WeakPolarHBondContact O-CA 3.42Å; I196-A213 WeakPolarHBondContact O-CB 3.26Å; M197-A213 HydrophobicContact CE-CB 4.17Å; M197-A213 HydrophobicContact SD-CB 3.89Å; S211-A213 PolarHBondContact O-N 3.35Å |
| 214 | Y | 95.7 | Very high | 89.4 | Confident | 32 Ų | 32 | 59.5 Ų | 59.5 | 13% | 0.125 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 157.1 | 178.8 | 69.7 | -81.5 | 0 | 0 | 0 | 112.1 | Q21 L22 C69 I196 N198 K216 | Q21-Y214 HydrophobicContact CB-CD2 3.58Å; Q21-Y214 HydrophobicContact CB-CE2 4.17Å; Q21-Y214 HydrophobicContact CB-CG 3.96Å; Q21-Y214 HydrophobicContact CG-CD2 3.57Å; Q21-Y214 HydrophobicContact CG-CE2 3.61Å; Q21-Y214 HydrophobicContact CG-CG 4.22Å; L22-Y214 WeakPolarHBondContact O-CA 3.5Å; C69-Y214 VanDerWaalsContact SG-CA 3.52Å; I196-Y214 HydrophobicContact CB-CD1 4.19Å; I196-Y214 HydrophobicContact CB-CE1 3.75Å; I196-Y214 HydrophobicContact CB-CE2 4.24Å; I196-Y214 HydrophobicContact CD1-CE2 4.07Å; I196-Y214 HydrophobicContact CG2-CD1 4.48Å; I196-Y214 HydrophobicContact CG2-CE1 3.64Å; I196-Y214 PolarHBondContact N-O 2.92Å; I196-Y214 WeakPolarHBondContact O-CD1 3.34Å; I196-Y214 PolarHBondContact O-N 3.5Å; N198-Y214 WeakPolarHBondContact OD1-CD1 3.47Å; N198-Y214 WeakPolarHBondContact OD1-CE1 3.21Å; Y214-K216 HydrophobicContact CE2-CB 4.03Å |
| 215 | L | 97 | Very high | 89.9 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 124.3 | 164.5 | -61.1 | -171.3 | 0 | 0 | 0 | 108.5 | L22 L66 C69 I71 I191 S192 F193 P195 C217 | L22-L215 HydrophobicContact CB-CB 4.37Å; L22-L215 PolarHBondContact N-O 3.47Å; L22-L215 PolarHBondContact O-N 3.48Å; L66-L215 HydrophobicContact CD2-CD1 3.69Å; L66-L215 HydrophobicContact CG-CD1 4.45Å; C69-L215 HydrophobicContact CB-CG 4.42Å; I71-L215 HydrophobicContact CD1-CD1 3.93Å; I71-L215 HydrophobicContact CD1-CG 4Å; I191-L215 HydrophobicContact CG2-CB 4.38Å; I191-L215 HydrophobicContact CG2-CD1 4.13Å; S192-L215 WeakPolarHBondContact O-CB 3.25Å; F193-L215 HydrophobicContact CD1-CD1 3.99Å; F193-L215 HydrophobicContact CE1-CD1 4.35Å; P195-L215 HydrophobicContact CB-CD2 4.46Å; P195-L215 HydrophobicContact CG-CD2 4.14Å; L215-C217 PolarHBondContact O-N 2.85Å |
| 216 | K | 96.9 | Very high | 90.1 | Very high | 82 Ų | 82 | 57.3 Ų | 57.3 | 36% | 0.357 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 124.9 | 172.3 | 174.9 | 160.7 | 172.6 | 151.6 | 0 | 109.1 | E19 S192 I196 Y214 | E19-K216 VanDerWaalsContact OE1-CE 3.22Å; E19-K216 WeakPolarHBondContact OE1-CE 3.44Å; E19-K216 IonicContact OE1-NZ 3.27Å; E19-K216 PolarHBondContact OE1-NZ 3.32Å; E19-K216 WeakPolarHBondContact OE2-CE 3.15Å; E19-K216 IonicContact OE2-NZ 2.69Å; E19-K216 PolarHBondContact OE2-NZ 3.47Å; S192-K216 WeakPolarHBondContact CB-O 3.42Å; S192-K216 PolarHBondContact N-O 3.45Å; I196-K216 HydrophobicContact CD1-CB 3.89Å; Y214-K216 HydrophobicContact CE2-CB 4.03Å |
| 217 | C | 96.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.02 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | -171.8 | 174.1 | 68.8 | 0 | 0 | 0 | 0 | 113.1 | Y20 Y190 I191 L215 | Y20-C217 PolarHBondContact N-O 3.36Å; Y20-C217 PolarHBondContact O-N 3.27Å; Y20-C217 PolarHBondContact O-SG 3.33Å; Y190-C217 CarbonylContact O-C 3.51Å; Y190-C217 WeakPolarHBondContact O-CA 3.45Å; Y190-C217 VanDerWaalsContact O-CB 3.29Å; Y190-C217 WeakPolarHBondContact O-CB 3.35Å; I191-C217 HydrophobicContact CB-CB 4.11Å; I191-C217 HydrophobicContact CG1-CB 3.76Å; I191-C217 HydrophobicContact CG2-CB 4.29Å; L215-C217 PolarHBondContact O-N 2.85Å |
| 218 | Q | 96.9 | Very high | 90.5 | Very high | 63 Ų | 63 | 51.4 Ų | 51.4 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134.4 | 170.3 | -62.4 | -174.9 | -16.1 | 0 | 0 | 111.3 | F17 V18 P187 Y190 | F17-Q218 HydrophobicContact CB-CB 4.25Å; V18-Q218 CarbonylContact O-C 3.6Å; V18-Q218 WeakPolarHBondContact O-CA 3.46Å; P187-Q218 WeakPolarHBondContact CD-O 3.43Å; Y190-Q218 HydrophobicContact CD2-CB 4.04Å; Y190-Q218 HydrophobicContact CG-CB 4.4Å; Y190-Q218 PolarHBondContact O-N 3.42Å |
| 219 | K | 95.6 | Very high | 90.5 | Very high | 67 Ų | 67 | 53.5 Ų | 53.5 | 29% | 0.291 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 136.6 | 174.2 | 165.7 | 173.4 | 171.6 | 168.8 | 0 | 110.1 | F17 V18 Y20 C184 L186 | F17-K219 CarbonylContact C-O 3.54Å; F17-K219 VanDerWaalsContact CA-O 3.27Å; F17-K219 WeakPolarHBondContact CA-O 3.3Å; V18-K219 HydrophobicContact CG1-CB 4Å; V18-K219 HydrophobicContact CG1-CG 4.38Å; V18-K219 PolarHBondContact N-O 3.4Å; V18-K219 PolarHBondContact O-N 2.85Å; Y20-K219 HydrophobicContact CD2-CB 4.26Å; Y20-K219 HydrophobicContact CD2-CD 4.19Å; Y20-K219 HydrophobicContact CE2-CD 4.45Å; Y20-K219 HydrophobicContact CG-CB 4.15Å; C184-K219 HydrophobicContact CB-CD 3.64Å; C184-K219 HydrophobicContact CB-CG 4.03Å; L186-K219 HydrophobicContact CD2-CB 3.7Å; L186-K219 HydrophobicContact CD2-CG 4.33Å |
| 220 | F | 95.7 | Very high | 90.9 | Very high | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 131.7 | 171.2 | 175.9 | -120.3 | 0 | 0 | 0 | 111.3 | L10 N16 F17 Y173 I176 F185 I222 L227 | L10-F220 HydrophobicContact CD1-CE2 3.98Å; L10-F220 HydrophobicContact CD1-CZ 4.15Å; L10-F220 HydrophobicContact CD2-CE2 4.4Å; N16-F220 HydrophobicContact CB-CE2 4.36Å; N16-F220 VanDerWaalsContact O-CD2 3.25Å; N16-F220 WeakPolarHBondContact O-CD2 3.39Å; F17-F220 HydrophobicContact CD1-CB 4.25Å; F17-F220 HydrophobicContact CD1-CD2 4.31Å; F17-F220 HydrophobicContact CE1-CB 4.05Å; F17-F220 AromaticContact CE1-CD2 3.8Å; F17-F220 HydrophobicContact CE1-CD2 3.8Å; F17-F220 HydrophobicContact CE1-CG 4.38Å; F17-F220 HydrophobicContact CZ-CD2 4.13Å; Y173-F220 HydrophobicContact CD1-CB 4.4Å; Y173-F220 AromaticContact CD1-CD1 3.72Å; Y173-F220 HydrophobicContact CD1-CD1 3.72Å; Y173-F220 AromaticContact CD1-CD2 3.61Å; Y173-F220 HydrophobicContact CD1-CD2 3.61Å; Y173-F220 AromaticContact CD1-CE1 3.8Å; Y173-F220 HydrophobicContact CD1-CE1 3.8Å; Y173-F220 AromaticContact CD1-CE2 3.71Å; Y173-F220 HydrophobicContact CD1-CE2 3.71Å; Y173-F220 AromaticContact CD1-CG 3.63Å; Y173-F220 HydrophobicContact CD1-CG 3.63Å; Y173-F220 AromaticContact CD1-CZ 3.8Å; Y173-F220 HydrophobicContact CD1-CZ 3.8Å; Y173-F220 HydrophobicContact CE1-CB 4.21Å; Y173-F220 HydrophobicContact CE1-CD1 4.36Å; Y173-F220 AromaticContact CE1-CD2 3.62Å; Y173-F220 HydrophobicContact CE1-CD2 3.62Å; Y173-F220 HydrophobicContact CE1-CE2 4.07Å; Y173-F220 AromaticContact CE1-CG 3.8Å; Y173-F220 HydrophobicContact CE1-CG 3.8Å; I176-F220 HydrophobicContact CG2-CD1 4.27Å; I176-F220 HydrophobicContact CG2-CE1 4.31Å; F185-F220 HydrophobicContact CB-CB 4.34Å; F185-F220 HydrophobicContact CD1-CB 4.08Å; F185-F220 HydrophobicContact CD1-CD1 4.38Å; F185-F220 HydrophobicContact CD1-CG 4.43Å; F185-F220 PolarHBondContact O-N 3.26Å; F220-I222 HydrophobicContact CE1-CB 4.31Å; F220-I222 HydrophobicContact CE1-CG1 4.37Å; F220-L227 HydrophobicContact CE1-CD1 4.43Å; F220-L227 HydrophobicContact CZ-CD1 3.94Å |
| 221 | L | 93.3 | Very high | 91.2 | Very high | 63 Ų | 63 | 41.6 Ų | 41.6 | 33% | 0.33 | 22% | 0.215 | S | C | . | . | trans | -94.7 | 103.8 | 173.6 | -66.5 | -177.3 | 0 | 0 | 0 | 109.9 | N16 V18 H223 G224 | N16-L221 PolarHBondContact O-N 3.15Å; V18-L221 HydrophobicContact CB-CD1 4.18Å; V18-L221 HydrophobicContact CB-CD2 4.15Å; V18-L221 HydrophobicContact CB-CG 4.22Å; V18-L221 HydrophobicContact CG1-CD2 3.73Å; V18-L221 HydrophobicContact CG1-CG 4.2Å; L221-H223 PolarHBondContact O-N 3.45Å; L221-G224 WeakPolarHBondContact O-CA 3.37Å; L221-G224 PolarHBondContact O-N 3.29Å | ||
| 222 | I | 88.3 | Confident | 91.2 | Very high | 22 Ų | 22 | 40.3 Ų | 40.3 | 11% | 0.113 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27.9 | -179.4 | -159.5 | 170.4 | 0 | 0 | 0 | 114.1 | I176 P177 N178 F220 R235 | I176-I222 HydrophobicContact CG2-CD1 3.86Å; I176-I222 HydrophobicContact CG2-CG1 4.38Å; I176-I222 WeakPolarHBondContact O-CD1 3.47Å; P177-I222 VanDerWaalsContact C-CD1 3.46Å; P177-I222 WeakPolarHBondContact O-CD1 3.46Å; N178-I222 VanDerWaalsContact OD1-CD1 3.25Å; N178-I222 WeakPolarHBondContact OD1-CD1 3.47Å; F220-I222 HydrophobicContact CE1-CB 4.31Å; F220-I222 HydrophobicContact CE1-CG1 4.37Å; I222-R235 VanDerWaalsContact CD1-NH1 3.29Å |
| 223 | H | 85.3 | Confident | 90.9 | Very high | 97 Ų | 97 | 43.9 Ų | 43.9 | 45% | 0.449 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 11 | 171.7 | -59.3 | -63.6 | 0 | 0 | 0 | 112.9 | H179 L221 | H179-H223 AromaticContact CE1-CE1 3.93Å; H179-H223 AromaticContact CE1-NE2 3.76Å; L221-H223 PolarHBondContact O-N 3.45Å |
| 224 | G | 89.8 | Confident | 90.8 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -64.2 | 158.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L221 G226 L227 K228 | L221-G224 WeakPolarHBondContact O-CA 3.37Å; L221-G224 PolarHBondContact O-N 3.29Å; G224-G226 PolarHBondContact O-N 3.47Å; G224-L227 PolarHBondContact O-N 3.02Å; G224-K228 WeakPolarHBondContact O-CB 3.27Å; G224-K228 PolarHBondContact O-N 3.21Å |
| 225 | P | 92.5 | Very high | 90.6 | Very high | 61 Ų | 61 | 42.3 Ų | 42.3 | 40% | 0.396 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.2 | -168.7 | 24.4 | -34.7 | 0 | 0 | 0 | 114.6 | D13 R15 N16 | D13-P225 WeakPolarHBondContact OD2-CG 3.3Å; R15-P225 HydrophobicContact CB-CG 3.85Å; R15-P225 WeakPolarHBondContact O-CD 3.28Å; N16-P225 VanDerWaalsContact OD1-CD 3.31Å; N16-P225 WeakPolarHBondContact OD1-CD 3.27Å |
| 226 | G | 91.2 | Very high | 90.5 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -33.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y9 N16 G224 I287 | Y9-G226 WeakPolarHBondContact CE1-O 3.21Å; Y9-G226 PolarHBondContact OH-O 3.44Å; N16-G226 WeakPolarHBondContact OD1-CA 3.35Å; N16-G226 PolarHBondContact OD1-N 3.48Å; G224-G226 PolarHBondContact O-N 3.47Å; G226-I287 WeakPolarHBondContact O-CD1 3.22Å |
| 227 | L | 91.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | -3 | 180 | -65.9 | -174.3 | 0 | 0 | 0 | 114.6 | L10 F220 G224 N229 L230 L238 I287 | L10-L227 HydrophobicContact CD2-CG 4.18Å; F220-L227 HydrophobicContact CE1-CD1 4.43Å; F220-L227 HydrophobicContact CZ-CD1 3.94Å; G224-L227 PolarHBondContact O-N 3.02Å; L227-N229 PolarHBondContact O-N 2.86Å; L227-L230 WeakPolarHBondContact O-CB 3.39Å; L227-L230 PolarHBondContact O-N 2.98Å; L227-L238 HydrophobicContact CD2-CD2 4.05Å; L227-I287 HydrophobicContact CD2-CD1 3.98Å |
| 228 | K | 84 | Confident | 90.2 | Very high | 141 Ų | 141 | 39 Ų | 39 | 61% | 0.613 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -43.1 | -43.2 | -170.9 | -178.3 | 177.1 | 172.2 | -179.9 | 0 | 115.3 | G224 L230 | G224-K228 WeakPolarHBondContact O-CB 3.27Å; G224-K228 PolarHBondContact O-N 3.21Å; K228-L230 VanDerWaalsContact C-N 3.32Å; K228-L230 PolarHBondContact O-N 3.19Å |
| 229 | N | 81.5 | Confident | 90.1 | Very high | 95 Ų | 95 | 36 Ų | 36 | 51% | 0.508 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 1.3 | -173.3 | -60.8 | 0.5 | 0 | 0 | 0 | 113.6 | L227 P231 S291 | L227-N229 PolarHBondContact O-N 2.86Å; N229-P231 WeakPolarHBondContact O-CD 3.46Å; N229-S291 WeakPolarHBondContact O-CB 3.25Å |
| 230 | L | 88.6 | Confident | 90 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -107.5 | 112.4 | -171.9 | -165.9 | 63.1 | 0 | 0 | 0 | 111.9 | L227 K228 Q234 R235 L238 I287 L290 | L227-L230 WeakPolarHBondContact O-CB 3.39Å; L227-L230 PolarHBondContact O-N 2.98Å; K228-L230 VanDerWaalsContact C-N 3.32Å; K228-L230 PolarHBondContact O-N 3.19Å; L230-Q234 HydrophobicContact CD1-CB 3.47Å; L230-Q234 VanDerWaalsContact CD1-CB 3.47Å; L230-Q234 HydrophobicContact CD1-CG 4.31Å; L230-Q234 HydrophobicContact CG-CB 3.94Å; L230-R235 HydrophobicContact CD2-CG 3.9Å; L230-R235 HydrophobicContact CG-CG 4.13Å; L230-R235 PolarHBondContact O-NE 2.82Å; L230-R235 PolarHBondContact O-NH2 3.3Å; L230-L238 HydrophobicContact CD2-CB 3.93Å; L230-L238 HydrophobicContact CD2-CD2 3.64Å; L230-L238 HydrophobicContact CD2-CG 4.27Å; L230-I287 HydrophobicContact CB-CG2 4.35Å; L230-I287 HydrophobicContact CD2-CG1 4.34Å; L230-L290 HydrophobicContact CD1-CB 3.53Å; L230-L290 HydrophobicContact CD1-CD1 4.39Å |
| 231 | P | 85.9 | Confident | 89.9 | Confident | 37 Ų | 37 | 32.8 Ų | 32.8 | 24% | 0.24 | 18% | 0.175 | C | C | . | . | trans | -55.4 | 145.4 | 172.6 | -27.4 | 37.6 | 0 | 0 | 0 | 111.8 | N229 I233 Q234 D294 | N229-P231 WeakPolarHBondContact O-CD 3.46Å; P231-I233 VanDerWaalsContact C-N 3.3Å; P231-I233 PolarHBondContact O-N 3.08Å; P231-Q234 HydrophobicContact CB-CG 4.25Å; P231-Q234 HydrophobicContact CG-CG 4.46Å; P231-Q234 WeakPolarHBondContact O-CB 3.5Å; P231-Q234 PolarHBondContact O-N 3.35Å; P231-D294 WeakPolarHBondContact CG-O 3.35Å | ||
| 232 | T | 83.2 | Confident | 89.8 | Confident | 57 Ų | 57 | 29.9 Ų | 29.9 | 35% | 0.35 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -54.9 | -43.2 | -170.4 | -48.4 | 0 | 0 | 0 | 0 | 112.8 | N178 Q234 R235 | N178-T232 VanDerWaalsContact CG-OG1 3.29Å; N178-T232 PolarHBondContact ND2-OG1 3.19Å; N178-T232 VanDerWaalsContact ND2-OG1 3.1Å; N178-T232 PolarHBondContact OD1-OG1 3.18Å; T232-Q234 VanDerWaalsContact C-N 3.27Å; T232-Q234 PolarHBondContact O-N 2.99Å; T232-R235 VanDerWaalsContact O-CB 3.29Å; T232-R235 WeakPolarHBondContact O-CB 3.35Å; T232-R235 WeakPolarHBondContact O-CG 3.48Å; T232-R235 PolarHBondContact O-N 2.86Å |
| 233 | I | 84.7 | Confident | 89.8 | Confident | 77 Ų | 77 | 28.9 Ų | 28.9 | 40% | 0.395 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.2 | -27.4 | -179.6 | -161 | 172.1 | 0 | 0 | 0 | 113.3 | P231 R235 I297 | P231-I233 VanDerWaalsContact C-N 3.3Å; P231-I233 PolarHBondContact O-N 3.08Å; I233-R235 VanDerWaalsContact C-N 3.25Å; I233-R235 PolarHBondContact O-N 2.83Å; I233-I297 HydrophobicContact CD1-CG2 4.34Å; I233-I297 HydrophobicContact CG1-CG2 3.89Å; I233-I297 HydrophobicContact CG2-CG2 4.19Å |
| 234 | Q | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -76.2 | -10.5 | 175.4 | -58.9 | -70 | -2.6 | 0 | 0 | 112.7 | L230 P231 T232 L237 L238 D294 D296 | L230-Q234 HydrophobicContact CD1-CB 3.47Å; L230-Q234 VanDerWaalsContact CD1-CB 3.47Å; L230-Q234 HydrophobicContact CD1-CG 4.31Å; L230-Q234 HydrophobicContact CG-CB 3.94Å; P231-Q234 HydrophobicContact CB-CG 4.25Å; P231-Q234 HydrophobicContact CG-CG 4.46Å; P231-Q234 WeakPolarHBondContact O-CB 3.5Å; P231-Q234 PolarHBondContact O-N 3.35Å; T232-Q234 VanDerWaalsContact C-N 3.27Å; T232-Q234 PolarHBondContact O-N 2.99Å; Q234-L237 PolarHBondContact O-N 2.99Å; Q234-L238 PolarHBondContact O-N 3.33Å; Q234-D294 WeakPolarHBondContact CG-O 3.19Å; Q234-D294 PolarHBondContact NE2-O 3.13Å; Q234-D296 VanDerWaalsContact NE2-C 3.32Å; Q234-D296 PolarHBondContact NE2-O 3.44Å |
| 235 | R | 92.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -74.5 | -39.8 | -178.7 | -59.7 | -177.3 | -172 | 146.5 | 5.9 | 112.4 | I174 N178 I222 L230 T232 I233 L237 L238 A239 | I174-R235 HydrophobicContact CD1-CB 4.14Å; I174-R235 HydrophobicContact CG2-CB 3.93Å; N178-R235 VanDerWaalsContact OD1-CZ 3.25Å; N178-R235 PolarHBondContact OD1-NH1 2.97Å; N178-R235 PolarHBondContact OD1-NH2 3.18Å; I222-R235 VanDerWaalsContact CD1-NH1 3.29Å; L230-R235 HydrophobicContact CD2-CG 3.9Å; L230-R235 HydrophobicContact CG-CG 4.13Å; L230-R235 PolarHBondContact O-NE 2.82Å; L230-R235 PolarHBondContact O-NH2 3.3Å; T232-R235 VanDerWaalsContact O-CB 3.29Å; T232-R235 WeakPolarHBondContact O-CB 3.35Å; T232-R235 WeakPolarHBondContact O-CG 3.48Å; T232-R235 PolarHBondContact O-N 2.86Å; I233-R235 VanDerWaalsContact C-N 3.25Å; I233-R235 PolarHBondContact O-N 2.83Å; R235-L237 PolarHBondContact O-N 3.35Å; R235-L238 WeakPolarHBondContact O-CB 3.43Å; R235-L238 PolarHBondContact O-N 2.82Å; R235-A239 WeakPolarHBondContact O-CB 3.17Å; R235-A239 PolarHBondContact O-N 3.49Å |
| 236 | S | 93.6 | Very high | 89.1 | Confident | 17 Ų | 17 | 24.9 Ų | 24.9 | 12% | 0.119 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63 | -35.1 | 172.9 | -45.7 | 0 | 0 | 0 | 0 | 111.2 | S240 Y327 | S236-S240 VanDerWaalsContact O-CB 3.3Å; S236-S240 WeakPolarHBondContact O-CB 3.33Å; S236-S240 PolarHBondContact O-N 3.12Å; S236-S240 PolarHBondContact O-OG 3.36Å; S236-Y327 WeakPolarHBondContact OG-CB 3.29Å |
| 237 | L | 94.4 | Very high | 89 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.7 | -42.8 | 171.5 | -179 | 59.3 | 0 | 0 | 0 | 112 | Q234 R235 A239 S240 L241 L290 P300 I301 L320 I324 | Q234-L237 PolarHBondContact O-N 2.99Å; R235-L237 PolarHBondContact O-N 3.35Å; L237-A239 VanDerWaalsContact C-N 3.32Å; L237-A239 PolarHBondContact O-N 2.83Å; L237-S240 PolarHBondContact O-N 3.05Å; L237-L241 HydrophobicContact CD1-CD1 3.77Å; L237-L241 HydrophobicContact CD1-CD2 4.32Å; L237-L241 HydrophobicContact CD1-CG 3.77Å; L237-L241 HydrophobicContact CG-CD1 3.81Å; L237-L241 HydrophobicContact CG-CG 4.22Å; L237-L241 WeakPolarHBondContact O-CB 3.49Å; L237-L241 VanDerWaalsContact O-CG 3.23Å; L237-L241 WeakPolarHBondContact O-CG 3.2Å; L237-L241 PolarHBondContact O-N 3.19Å; L237-L290 HydrophobicContact CD2-CD2 3.77Å; L237-L290 HydrophobicContact CG-CD2 4.2Å; L237-P300 HydrophobicContact CD2-CB 4.02Å; L237-P300 HydrophobicContact CD2-CG 3.64Å; L237-I301 HydrophobicContact CD1-CD1 4.25Å; L237-I301 HydrophobicContact CD1-CG1 3.75Å; L237-I301 HydrophobicContact CD2-CG1 4.09Å; L237-L320 HydrophobicContact CD1-CD2 4.15Å; L237-I324 HydrophobicContact CB-CD1 4.16Å; L237-I324 HydrophobicContact CD1-CD1 4.06Å |
| 238 | L | 94.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.1 | -48.1 | 172 | 175.5 | 73.5 | 0 | 0 | 0 | 111.2 | L227 L230 Q234 R235 L241 L242 L286 I287 L290 | L227-L238 HydrophobicContact CD2-CD2 4.05Å; L230-L238 HydrophobicContact CD2-CB 3.93Å; L230-L238 HydrophobicContact CD2-CD2 3.64Å; L230-L238 HydrophobicContact CD2-CG 4.27Å; Q234-L238 PolarHBondContact O-N 3.33Å; R235-L238 WeakPolarHBondContact O-CB 3.43Å; R235-L238 PolarHBondContact O-N 2.82Å; L238-L241 PolarHBondContact O-N 2.65Å; L238-L242 HydrophobicContact CD1-CD1 3.9Å; L238-L242 HydrophobicContact CD1-CG 4.15Å; L238-L242 HydrophobicContact CD2-CD1 4.42Å; L238-L242 HydrophobicContact CG-CD1 3.85Å; L238-L242 HydrophobicContact CG-CG 4.39Å; L238-L242 WeakPolarHBondContact O-CB 3.33Å; L238-L242 VanDerWaalsContact O-CG 3.25Å; L238-L242 WeakPolarHBondContact O-CG 3.43Å; L238-L242 PolarHBondContact O-N 3.06Å; L238-L286 HydrophobicContact CD1-CB 4.19Å; L238-L286 HydrophobicContact CD1-CD2 3.75Å; L238-L286 HydrophobicContact CD1-CG 3.75Å; L238-I287 HydrophobicContact CD1-CG1 3.75Å; L238-I287 HydrophobicContact CD2-CD1 4.09Å; L238-I287 HydrophobicContact CD2-CG1 3.78Å; L238-I287 HydrophobicContact CG-CG1 4.43Å; L238-L290 HydrophobicContact CB-CD1 3.81Å; L238-L290 HydrophobicContact CD1-CD1 4.09Å |
| 239 | A | 94.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59 | -50.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V3 I174 R235 L237 L241 L242 G243 Y327 | V3-A239 HydrophobicContact CG1-CB 4.45Å; V3-A239 HydrophobicContact CG2-CB 3.61Å; I174-A239 HydrophobicContact CD1-CB 4.22Å; I174-A239 HydrophobicContact CG1-CB 4.01Å; I174-A239 HydrophobicContact CG2-CB 4.13Å; R235-A239 WeakPolarHBondContact O-CB 3.17Å; R235-A239 PolarHBondContact O-N 3.49Å; L237-A239 VanDerWaalsContact C-N 3.32Å; L237-A239 PolarHBondContact O-N 2.83Å; A239-L241 PolarHBondContact O-N 3.01Å; A239-L242 PolarHBondContact O-N 3.05Å; A239-G243 CarbonylContact O-C 3.51Å; A239-G243 PolarHBondContact O-N 3.17Å; A239-Y327 HydrophobicContact CB-CE1 4.49Å; A239-Y327 HydrophobicContact CB-CE2 4.07Å; A239-Y327 WeakPolarHBondContact CB-OH 2.98Å |
| 240 | S | 93.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.7 | -44.5 | 176.1 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | S236 L237 G243 I247 S323 | S236-S240 VanDerWaalsContact O-CB 3.3Å; S236-S240 WeakPolarHBondContact O-CB 3.33Å; S236-S240 PolarHBondContact O-N 3.12Å; S236-S240 PolarHBondContact O-OG 3.36Å; L237-S240 PolarHBondContact O-N 3.05Å; S240-G243 PolarHBondContact O-N 2.92Å; S240-I247 WeakPolarHBondContact O-CG2 3.47Å; S240-S323 WeakPolarHBondContact OG-CB 3.33Å; S240-S323 PolarHBondContact OG-O 3.48Å; S240-S323 PolarHBondContact OG-OG 3.24Å |
| 241 | L | 92.9 | Very high | 88.8 | Confident | 7 Ų | 7 | 28.8 Ų | 28.8 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -76.9 | -29.1 | -178.1 | -70.4 | 178.8 | 0 | 0 | 0 | 114 | L237 L238 A239 G243 F252 L256 L286 L290 I304 L320 | L237-L241 HydrophobicContact CD1-CD1 3.77Å; L237-L241 HydrophobicContact CD1-CD2 4.32Å; L237-L241 HydrophobicContact CD1-CG 3.77Å; L237-L241 HydrophobicContact CG-CD1 3.81Å; L237-L241 HydrophobicContact CG-CG 4.22Å; L237-L241 WeakPolarHBondContact O-CB 3.49Å; L237-L241 VanDerWaalsContact O-CG 3.23Å; L237-L241 WeakPolarHBondContact O-CG 3.2Å; L237-L241 PolarHBondContact O-N 3.19Å; L238-L241 PolarHBondContact O-N 2.65Å; A239-L241 PolarHBondContact O-N 3.01Å; L241-G243 VanDerWaalsContact C-N 3.33Å; L241-F252 HydrophobicContact CD2-CB 3.77Å; L241-F252 HydrophobicContact CD2-CD1 4.32Å; L241-F252 HydrophobicContact CD2-CD2 4.06Å; L241-F252 HydrophobicContact CD2-CG 3.75Å; L241-L256 HydrophobicContact CB-CD2 4.23Å; L241-L256 HydrophobicContact CD1-CD2 4.23Å; L241-L256 HydrophobicContact CD2-CD2 4.15Å; L241-L256 HydrophobicContact CG-CD2 4.45Å; L241-L286 HydrophobicContact CB-CD2 3.93Å; L241-L286 HydrophobicContact CD1-CD1 4.22Å; L241-L290 HydrophobicContact CD1-CD2 4.38Å; L241-I304 HydrophobicContact CD1-CD1 3.41Å; L241-I304 VanDerWaalsContact CD1-CD1 3.41Å; L241-I304 HydrophobicContact CD2-CD1 3.6Å; L241-I304 HydrophobicContact CG-CD1 4.16Å; L241-L320 HydrophobicContact CD2-CD2 3.93Å |
| 242 | L | 91.2 | Very high | 89 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72.5 | -31.4 | 168.7 | -71.9 | 175.6 | 0 | 0 | 0 | 111.4 | V3 L238 A239 S249 R279 I282 I283 L286 | V3-L242 HydrophobicContact CG1-CB 3.8Å; V3-L242 HydrophobicContact CG1-CD1 3.78Å; V3-L242 HydrophobicContact CG1-CG 4.46Å; L238-L242 HydrophobicContact CD1-CD1 3.9Å; L238-L242 HydrophobicContact CD1-CG 4.15Å; L238-L242 HydrophobicContact CD2-CD1 4.42Å; L238-L242 HydrophobicContact CG-CD1 3.85Å; L238-L242 HydrophobicContact CG-CG 4.39Å; L238-L242 WeakPolarHBondContact O-CB 3.33Å; L238-L242 VanDerWaalsContact O-CG 3.25Å; L238-L242 WeakPolarHBondContact O-CG 3.43Å; L238-L242 PolarHBondContact O-N 3.06Å; A239-L242 PolarHBondContact O-N 3.05Å; L242-S249 WeakPolarHBondContact O-CA 3.4Å; L242-S249 WeakPolarHBondContact O-CB 3.29Å; L242-R279 PolarHBondContact O-NH1 2.92Å; L242-R279 PolarHBondContact O-NH2 3.27Å; L242-I282 HydrophobicContact CD2-CG2 4.31Å; L242-I283 HydrophobicContact CD1-CG1 3.86Å; L242-I283 HydrophobicContact CD1-CG2 4.43Å; L242-I283 HydrophobicContact CD2-CB 4.48Å; L242-I283 HydrophobicContact CD2-CG1 3.58Å; L242-I283 HydrophobicContact CG-CG1 4.4Å; L242-L286 HydrophobicContact CD2-CD2 3.87Å; L242-L286 HydrophobicContact CG-CD2 4.01Å |
| 243 | G | 88.9 | Confident | 88.9 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | trans | 96.5 | 123.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R4 A239 S240 L241 I247 | R4-G243 PolarHBondContact N-O 3.39Å; A239-G243 CarbonylContact O-C 3.51Å; A239-G243 PolarHBondContact O-N 3.17Å; S240-G243 PolarHBondContact O-N 2.92Å; L241-G243 VanDerWaalsContact C-N 3.33Å; G243-I247 CarbonylContact C-O 3.58Å; G243-I247 WeakPolarHBondContact CA-O 3.33Å | ||
| 244 | N | 89.6 | Confident | 88.6 | Confident | 15 Ų | 15 | 31.8 Ų | 31.8 | 8% | 0.08 | 16% | 0.158 | C | C | . | . | trans | -121.5 | -158.3 | -179.7 | 60.5 | 0.6 | 0 | 0 | 0 | 108.9 | Y246 I247 S323 Y327 | N244-Y246 VanDerWaalsContact C-N 3.27Å; N244-Y246 PolarHBondContact O-N 2.99Å; N244-Y246 PolarHBondContact OD1-N 3.08Å; N244-Y246 VanDerWaalsContact OD1-N 3.09Å; N244-I247 PolarHBondContact N-O 2.88Å; N244-I247 PolarHBondContact OD1-N 3.18Å; N244-S323 PolarHBondContact ND2-OG 3.27Å; N244-S323 PolarHBondContact OD1-OG 2.76Å; N244-Y327 WeakPolarHBondContact CB-OH 3.26Å; N244-Y327 PolarHBondContact ND2-OH 3.01Å | ||
| 245 | D | 81.1 | Confident | 88 | Confident | 15 Ų | 15 | 31.9 Ų | 31.9 | 8% | 0.08 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -72.8 | -14.1 | 177.7 | -90.1 | 3.7 | 0 | 0 | 0 | 113.9 | K85 R92 | K85-D245 HydrophobicContact CD-CB 3.94Å; K85-D245 WeakPolarHBondContact CD-OD2 3.42Å; K85-D245 VanDerWaalsContact CE-OD2 3.24Å; K85-D245 WeakPolarHBondContact CE-OD2 3.31Å; K85-D245 HydrophobicContact CG-CB 4.33Å; K85-D245 IonicContact NZ-OD2 2.99Å; K85-D245 PolarHBondContact NZ-OD2 2.75Å; R92-D245 IonicContact CZ-OD2 3.76Å; R92-D245 IonicContact NH1-OD2 2.83Å; R92-D245 IonicContact NH2-OD1 3.49Å; R92-D245 PolarHBondContact NH2-OD1 2.98Å; R92-D245 IonicContact NH2-OD2 2.77Å; R92-D245 PolarHBondContact NH2-OD2 3.44Å |
| 246 | Y | 82.8 | Confident | 87.5 | Confident | 49 Ų | 49 | 32 Ų | 32 | 19% | 0.192 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -97 | -41.7 | 179.6 | -58.8 | -90.4 | 0 | 0 | 0 | 112.9 | Y84 N244 S326 | Y84-Y246 HydrophobicContact CD2-CD1 4.19Å; Y84-Y246 HydrophobicContact CG-CD1 4.03Å; N244-Y246 VanDerWaalsContact C-N 3.27Å; N244-Y246 PolarHBondContact O-N 2.99Å; N244-Y246 PolarHBondContact OD1-N 3.08Å; N244-Y246 VanDerWaalsContact OD1-N 3.09Å; Y246-S326 WeakPolarHBondContact CD2-OG 3.49Å; Y246-S326 VanDerWaalsContact CE2-OG 3.28Å; Y246-S326 WeakPolarHBondContact CE2-OG 3.37Å; Y246-S326 VanDerWaalsContact CZ-CB 3.46Å |
| 247 | I | 88.2 | Confident | 86.4 | Confident | 6 Ų | 6 | 33.4 Ų | 33.4 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -113.7 | 127.1 | -177.1 | -68.3 | 169.3 | 0 | 0 | 0 | 110.8 | S240 G243 N244 F252 L320 S323 | S240-I247 WeakPolarHBondContact O-CG2 3.47Å; G243-I247 CarbonylContact C-O 3.58Å; G243-I247 WeakPolarHBondContact CA-O 3.33Å; N244-I247 PolarHBondContact N-O 2.88Å; N244-I247 PolarHBondContact OD1-N 3.18Å; I247-F252 HydrophobicContact CD1-CE2 4.09Å; I247-F252 HydrophobicContact CG2-CD2 3.85Å; I247-F252 HydrophobicContact CG2-CE2 3.81Å; I247-L320 HydrophobicContact CD1-CD2 3.96Å; I247-L320 HydrophobicContact CD1-CG 4.45Å; I247-S323 WeakPolarHBondContact CD1-OG 3.28Å |
| 248 | K | 86 | Confident | 85 | Confident | 136 Ų | 136 | 34.9 Ų | 34.9 | 59% | 0.591 | 18% | 0.177 | S | C | * | . | trans | -64.8 | 134.8 | 176.7 | -60.3 | 179.4 | -178.9 | 178.2 | 0 | 110.7 | N250 T251 | K248-N250 WeakPolarHBondContact CB-OD1 3.4Å; K248-N250 PolarHBondContact O-N 3.29Å; K248-T251 WeakPolarHBondContact O-CB 3.38Å; K248-T251 PolarHBondContact O-N 3.22Å; K248-T251 PolarHBondContact O-OG1 3.48Å | ||
| 249 | S | 83.9 | Confident | 83.1 | Confident | 51 Ų | 51 | 35.6 Ų | 35.6 | 36% | 0.357 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 2.5 | -175.3 | 62.4 | 0 | 0 | 0 | 0 | 116.4 | L242 | L242-S249 WeakPolarHBondContact O-CA 3.4Å; L242-S249 WeakPolarHBondContact O-CB 3.29Å |
| 250 | N | 84.4 | Confident | 81.1 | Confident | 98 Ų | 98 | 42.7 Ų | 42.7 | 52% | 0.524 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -14.1 | 174 | 61.3 | -10.6 | 0 | 0 | 0 | 113.7 | K248 F252 L253 | K248-N250 WeakPolarHBondContact CB-OD1 3.4Å; K248-N250 PolarHBondContact O-N 3.29Å; N250-F252 PolarHBondContact O-N 3.41Å; N250-L253 PolarHBondContact O-N 3.01Å |
| 251 | T | 87.9 | Confident | 79.1 | Confident | 35 Ų | 35 | 45.9 Ų | 45.9 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -54.7 | -56.8 | -176.7 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | K248 Y308 L316 | K248-T251 WeakPolarHBondContact O-CB 3.38Å; K248-T251 PolarHBondContact O-N 3.22Å; K248-T251 PolarHBondContact O-OG1 3.48Å; T251-Y308 PolarHBondContact O-OH 2.88Å; T251-L316 HydrophobicContact CG2-CD2 3.6Å |
| 252 | F | 88.7 | Confident | 77.2 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -89.4 | -7.4 | -176.1 | -67 | -70.1 | 0 | 0 | 0 | 114.8 | L241 I247 N250 K254 G255 L256 I304 L305 Y308 L316 L320 | L241-F252 HydrophobicContact CD2-CB 3.77Å; L241-F252 HydrophobicContact CD2-CD1 4.32Å; L241-F252 HydrophobicContact CD2-CD2 4.06Å; L241-F252 HydrophobicContact CD2-CG 3.75Å; I247-F252 HydrophobicContact CD1-CE2 4.09Å; I247-F252 HydrophobicContact CG2-CD2 3.85Å; I247-F252 HydrophobicContact CG2-CE2 3.81Å; N250-F252 PolarHBondContact O-N 3.41Å; F252-K254 PolarHBondContact O-N 3Å; F252-G255 PolarHBondContact O-N 3.39Å; F252-L256 HydrophobicContact CB-CD2 4.42Å; F252-L256 WeakPolarHBondContact O-CG 3.43Å; F252-L256 PolarHBondContact O-N 2.71Å; F252-I304 HydrophobicContact CD1-CG2 3.63Å; F252-I304 HydrophobicContact CE1-CG2 4.36Å; F252-I304 HydrophobicContact CG-CG2 4.44Å; F252-L305 HydrophobicContact CE1-CD2 4.39Å; F252-Y308 VanDerWaalsContact CA-OH 3.28Å; F252-Y308 WeakPolarHBondContact CA-OH 3.17Å; F252-Y308 HydrophobicContact CD1-CE2 4.23Å; F252-Y308 PolarHBondContact O-OH 2.89Å; F252-L316 HydrophobicContact CE1-CB 4.02Å; F252-L316 HydrophobicContact CE1-CD1 4.34Å; F252-L316 HydrophobicContact CE1-CD2 4.06Å; F252-L316 HydrophobicContact CE1-CG 4.37Å; F252-L316 HydrophobicContact CZ-CB 4.02Å; F252-L316 HydrophobicContact CZ-CD2 3.81Å; F252-L316 HydrophobicContact CZ-CG 4.42Å; F252-L320 HydrophobicContact CD1-CD1 4.41Å; F252-L320 HydrophobicContact CD2-CD2 4.11Å; F252-L320 HydrophobicContact CE1-CD1 3.68Å; F252-L320 HydrophobicContact CE1-CG 4.12Å; F252-L320 HydrophobicContact CE2-CD1 4.21Å; F252-L320 HydrophobicContact CE2-CD2 3.67Å; F252-L320 HydrophobicContact CE2-CG 3.74Å; F252-L320 HydrophobicContact CZ-CD1 3.57Å; F252-L320 HydrophobicContact CZ-CD2 3.91Å; F252-L320 HydrophobicContact CZ-CG 3.48Å; F252-L320 VanDerWaalsContact CZ-CG 3.48Å |
| 253 | L | 81.6 | Confident | 75.2 | Confident | 57 Ų | 57 | 51.8 Ų | 51.8 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -28.8 | -169.5 | -176.1 | 62.5 | 0 | 0 | 0 | 114.2 | N250 S259 | N250-L253 PolarHBondContact O-N 3.01Å; L253-S259 WeakPolarHBondContact O-CB 3.42Å |
| 254 | K | 79.5 | Confident | 73.3 | Confident | 174 Ų | 174 | 57.8 Ų | 57.8 | 76% | 0.757 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -43 | 174.5 | -64.5 | 179.4 | -176.8 | 174.1 | 0 | 112 | F252 S259 | F252-K254 PolarHBondContact O-N 3Å; K254-S259 PolarHBondContact O-OG 3.48Å |
| 255 | G | 79.6 | Confident | 71.6 | Confident | 2 Ų | 2 | 64.1 Ų | 64.1 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -16 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F252 Y308 | F252-G255 PolarHBondContact O-N 3.39Å; G255-Y308 PolarHBondContact N-OH 2.87Å |
| 256 | L | 82.6 | Confident | 70.5 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -58.4 | 128.3 | 173.3 | -62.8 | -172.5 | 0 | 0 | 0 | 110.3 | L241 F252 I258 S259 L286 I304 | L241-L256 HydrophobicContact CB-CD2 4.23Å; L241-L256 HydrophobicContact CD1-CD2 4.23Å; L241-L256 HydrophobicContact CD2-CD2 4.15Å; L241-L256 HydrophobicContact CG-CD2 4.45Å; F252-L256 HydrophobicContact CB-CD2 4.42Å; F252-L256 WeakPolarHBondContact O-CG 3.43Å; F252-L256 PolarHBondContact O-N 2.71Å; L256-I258 HydrophobicContact CB-CG1 3.92Å; L256-I258 HydrophobicContact CD1-CD1 4.42Å; L256-I258 HydrophobicContact CD1-CG1 4.49Å; L256-I258 PolarHBondContact O-N 3.07Å; L256-S259 WeakPolarHBondContact O-CB 3.38Å; L256-S259 PolarHBondContact O-N 3.24Å; L256-S259 PolarHBondContact O-OG 3.29Å; L256-L286 HydrophobicContact CD1-CD2 4.27Å; L256-L286 HydrophobicContact CD2-CD1 4.02Å; L256-I304 HydrophobicContact CD2-CD1 3.93Å |
| 257 | P | 69.3 | Low | 69.3 | Low | 47 Ų | 47 | 68.7 Ų | 68.7 | 31% | 0.305 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -67.3 | -14.9 | -175.4 | 23.9 | -31.2 | 0 | 0 | 0 | 113.7 | S259 H260 W289 | P257-S259 VanDerWaalsContact C-N 3.26Å; P257-S259 PolarHBondContact O-N 3.44Å; P257-H260 PolarHBondContact O-CD2 3.12Å; P257-W289 HydrophobicContact CG-CD2 3.62Å; P257-W289 VanDerWaalsContact CG-CE2 3.4Å; P257-W289 HydrophobicContact CG-CE3 4.27Å; P257-W289 HydrophobicContact CG-CG 3.87Å; P257-W289 HydrophobicContact CG-CH2 4.45Å; P257-W289 HydrophobicContact CG-CZ2 3.85Å |
| 258 | I | 64.7 | Low | 68.1 | Low | 32 Ų | 32 | 75.5 Ų | 75.5 | 16% | 0.164 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -83.4 | 3.2 | 175.6 | 59.3 | 163.8 | 0 | 0 | 0 | 113.2 | L256 I282 N285 L286 | L256-I258 HydrophobicContact CB-CG1 3.92Å; L256-I258 HydrophobicContact CD1-CD1 4.42Å; L256-I258 HydrophobicContact CD1-CG1 4.49Å; L256-I258 PolarHBondContact O-N 3.07Å; I258-I282 HydrophobicContact CD1-CG2 4.1Å; I258-I282 VanDerWaalsContact CD1-O 3.3Å; I258-I282 WeakPolarHBondContact CD1-O 3.47Å; I258-N285 HydrophobicContact CB-CB 4.06Å; I258-N285 HydrophobicContact CD1-CB 3.91Å; I258-N285 HydrophobicContact CG2-CB 3.71Å; I258-L286 HydrophobicContact CD1-CB 3.88Å |
| 259 | S | 54.9 | Low | 67.2 | Low | 14 Ų | 14 | 75.9 Ų | 75.9 | 10% | 0.098 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -80.4 | -21.6 | -177.3 | 80.7 | 0 | 0 | 0 | 0 | 113.2 | L253 K254 L256 P257 G261 Q262 T263 | L253-S259 WeakPolarHBondContact O-CB 3.42Å; K254-S259 PolarHBondContact O-OG 3.48Å; L256-S259 WeakPolarHBondContact O-CB 3.38Å; L256-S259 PolarHBondContact O-N 3.24Å; L256-S259 PolarHBondContact O-OG 3.29Å; P257-S259 VanDerWaalsContact C-N 3.26Å; P257-S259 PolarHBondContact O-N 3.44Å; S259-G261 PolarHBondContact O-N 3.14Å; S259-G261 VanDerWaalsContact O-N 3.15Å; S259-Q262 CarbonylContact O-C 3.36Å; S259-Q262 WeakPolarHBondContact O-CA 3.42Å; S259-Q262 PolarHBondContact O-N 3.37Å; S259-T263 WeakPolarHBondContact O-CG2 3.4Å; S259-T263 PolarHBondContact O-N 3.21Å |
| 260 | H | 51.3 | Low | 66.8 | Low | 149 Ų | 149 | 73.8 Ų | 73.8 | 69% | 0.69 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 118.5 | 177.9 | -66.5 | -71.3 | 0 | 0 | 0 | 111.2 | P257 Q262 | P257-H260 PolarHBondContact O-CD2 3.12Å; H260-Q262 PolarHBondContact O-N 3.06Å |
| 261 | G | 51.3 | Low | 66.8 | Low | 67 Ų | 67 | 73 Ų | 73 | 69% | 0.691 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -17.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S259 | S259-G261 PolarHBondContact O-N 3.14Å; S259-G261 VanDerWaalsContact O-N 3.15Å |
| 262 | Q | 53.1 | Low | 66.5 | Low | 61 Ų | 61 | 79.5 Ų | 79.5 | 29% | 0.285 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 11 | 179.8 | -56.3 | -163.8 | 25.1 | 0 | 0 | 114.2 | S259 H260 R278 | S259-Q262 CarbonylContact O-C 3.36Å; S259-Q262 WeakPolarHBondContact O-CA 3.42Å; S259-Q262 PolarHBondContact O-N 3.37Å; H260-Q262 PolarHBondContact O-N 3.06Å; Q262-R278 VanDerWaalsContact O-CZ 3.32Å; Q262-R278 PolarHBondContact O-NH2 3.45Å |
| 263 | T | 50 | Low | 66.3 | Low | 72 Ų | 72 | 86.8 Ų | 86.8 | 44% | 0.442 | 45% | 0.449 | S | S | . | . | trans | -76.8 | -33.9 | 171.8 | 38.6 | 0 | 0 | 0 | 0 | 113.8 | S259 L265 R278 | S259-T263 WeakPolarHBondContact O-CG2 3.4Å; S259-T263 PolarHBondContact O-N 3.21Å; T263-L265 PolarHBondContact O-N 3.37Å; T263-R278 PolarHBondContact O-NH2 3.27Å | ||
| 264 | I | 49 | Very low | 66.4 | Low | 127 Ų | 127 | 88.5 Ų | 88.5 | 65% | 0.651 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -48.4 | 115.7 | -173.6 | -57.9 | 172.2 | 0 | 0 | 0 | 109.6 | L266 R278 | I264-L266 PolarHBondContact O-N 2.83Å; I264-R278 PolarHBondContact O-NH1 2.92Å; I264-R278 PolarHBondContact O-NH2 3.36Å |
| 265 | L | 53.2 | Low | 66.5 | Low | 149 Ų | 149 | 85 Ų | 85 | 78% | 0.78 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 131.5 | -179.9 | -76.1 | 166.1 | 0 | 0 | 0 | 109.8 | T263 N267 | T263-L265 PolarHBondContact O-N 3.37Å; L265-N267 PolarHBondContact O-N 2.97Å |
| 266 | L | 59.6 | Low | 66.6 | Low | 58 Ų | 58 | 88.6 Ų | 88.6 | 30% | 0.304 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 127.3 | 168.6 | -76.7 | -179.7 | 0 | 0 | 0 | 107.3 | I264 A270 K275 R278 | I264-L266 PolarHBondContact O-N 2.83Å; L266-A270 HydrophobicContact CB-CB 3.7Å; L266-A270 HydrophobicContact CD1-CB 4.21Å; L266-A270 HydrophobicContact CD2-CB 4.22Å; L266-A270 HydrophobicContact CG-CB 4.25Å; L266-K275 HydrophobicContact CD1-CB 4.29Å; L266-K275 HydrophobicContact CD1-CG 3.77Å; L266-R278 HydrophobicContact CD1-CB 4.42Å |
| 267 | N | 56.9 | Low | 66.8 | Low | 101 Ų | 101 | 95.8 Ų | 95.8 | 54% | 0.54 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 159.2 | 179.7 | 67.1 | 2.7 | 0 | 0 | 0 | 110.9 | L265 N269 A270 | L265-N267 PolarHBondContact O-N 2.97Å; N267-N269 PolarHBondContact O-N 2.9Å; N267-A270 VanDerWaalsContact O-CB 3.23Å; N267-A270 WeakPolarHBondContact O-CB 3.02Å; N267-A270 PolarHBondContact O-N 2.99Å; N267-A270 PolarHBondContact OD1-N 2.95Å; N267-A270 VanDerWaalsContact OD1-N 3.15Å |
| 268 | K | 63.2 | Low | 67.4 | Low | 150 Ų | 150 | 96 Ų | 96 | 65% | 0.652 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -26.9 | -177.9 | -57.9 | -157.2 | -175.4 | -149.5 | 0 | 112.8 | A270 D417 | K268-A270 VanDerWaalsContact C-N 3.31Å; K268-A270 PolarHBondContact O-N 2.93Å; K268-D417 WeakPolarHBondContact CD-OD2 3.35Å; K268-D417 WeakPolarHBondContact CE-OD2 3.23Å; K268-D417 IonicContact NZ-OD2 2.67Å; K268-D417 PolarHBondContact NZ-OD2 2.93Å |
| 269 | N | 67.7 | Low | 68.4 | Low | 144 Ų | 144 | 96.5 Ų | 96.5 | 77% | 0.77 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -6.7 | 178.2 | -57.7 | 1.9 | 0 | 0 | 0 | 114.4 | N267 N271 | N267-N269 PolarHBondContact O-N 2.9Å; N269-N271 PolarHBondContact O-N 2.88Å |
| 270 | A | 74.6 | Confident | 69.9 | Low | 6 Ų | 6 | 99.8 Ų | 99.8 | 5% | 0.05 | 50% | 0.498 | C | S | . | . | trans | -69 | 118 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L266 N267 K268 M274 K275 | L266-A270 HydrophobicContact CB-CB 3.7Å; L266-A270 HydrophobicContact CD1-CB 4.21Å; L266-A270 HydrophobicContact CD2-CB 4.22Å; L266-A270 HydrophobicContact CG-CB 4.25Å; N267-A270 VanDerWaalsContact O-CB 3.23Å; N267-A270 WeakPolarHBondContact O-CB 3.02Å; N267-A270 PolarHBondContact O-N 2.99Å; N267-A270 PolarHBondContact OD1-N 2.95Å; N267-A270 VanDerWaalsContact OD1-N 3.15Å; K268-A270 VanDerWaalsContact C-N 3.31Å; K268-A270 PolarHBondContact O-N 2.93Å; A270-M274 HydrophobicContact CB-CE 4.38Å; A270-M274 HydrophobicContact CB-SD 4.42Å; A270-K275 WeakPolarHBondContact O-CE 3.49Å | ||
| 271 | N | 84.1 | Confident | 71.6 | Confident | 82 Ų | 82 | 96 Ų | 96 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | trans | -66.7 | 164.2 | -173.3 | 75 | 36.7 | 0 | 0 | 0 | 113 | N269 Q273 M274 K275 | N269-N271 PolarHBondContact O-N 2.88Å; N271-Q273 PolarHBondContact O-N 3.25Å; N271-Q273 WeakPolarHBondContact OD1-CA 3.27Å; N271-Q273 WeakPolarHBondContact OD1-CB 3.47Å; N271-Q273 PolarHBondContact OD1-N 2.98Å; N271-M274 PolarHBondContact O-N 3.36Å; N271-M274 VanDerWaalsContact O-N 3.08Å; N271-M274 WeakPolarHBondContact OD1-CG 3.48Å; N271-M274 PolarHBondContact OD1-N 3.48Å; N271-K275 PolarHBondContact O-N 3.25Å; N271-K275 VanDerWaalsContact O-N 3.09Å | ||
| 272 | K | 81.7 | Confident | 73.3 | Confident | 172 Ų | 172 | 93.5 Ų | 93.5 | 75% | 0.748 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -54.7 | -36.9 | -178.5 | -170.3 | 174 | -179.4 | 177.3 | 0 | 112.7 | L276 | K272-L276 HydrophobicContact CG-CD1 4.26Å; K272-L276 WeakPolarHBondContact O-CB 3.32Å; K272-L276 VanDerWaalsContact O-CG 3.27Å; K272-L276 WeakPolarHBondContact O-CG 3.36Å; K272-L276 PolarHBondContact O-N 3.31Å |
| 273 | Q | 83.7 | Confident | 75.1 | Confident | 155 Ų | 155 | 90.6 Ų | 90.6 | 72% | 0.724 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -68.8 | -39.6 | 178.4 | -62.6 | 175.4 | -16.1 | 0 | 0 | 112.2 | N271 L276 K277 | N271-Q273 PolarHBondContact O-N 3.25Å; N271-Q273 WeakPolarHBondContact OD1-CA 3.27Å; N271-Q273 WeakPolarHBondContact OD1-CB 3.47Å; N271-Q273 PolarHBondContact OD1-N 2.98Å; Q273-L276 PolarHBondContact O-N 2.97Å; Q273-K277 WeakPolarHBondContact O-CB 3.37Å; Q273-K277 PolarHBondContact O-N 3.49Å |
| 274 | M | 83.6 | Confident | 77 | Confident | 92 Ų | 92 | 90.4 Ų | 90.4 | 45% | 0.453 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 174.6 | -67.7 | 169.7 | 74.3 | 0 | 0 | 111.4 | A270 N271 L276 K277 R278 | A270-M274 HydrophobicContact CB-CE 4.38Å; A270-M274 HydrophobicContact CB-SD 4.42Å; N271-M274 PolarHBondContact O-N 3.36Å; N271-M274 VanDerWaalsContact O-N 3.08Å; N271-M274 WeakPolarHBondContact OD1-CG 3.48Å; N271-M274 PolarHBondContact OD1-N 3.48Å; M274-L276 VanDerWaalsContact C-N 3.34Å; M274-L276 PolarHBondContact O-N 3.16Å; M274-K277 PolarHBondContact O-N 2.93Å; M274-R278 WeakPolarHBondContact O-CB 3.43Å; M274-R278 PolarHBondContact O-N 2.93Å |
| 275 | K | 81.5 | Confident | 78.9 | Confident | 100 Ų | 100 | 86.5 Ų | 86.5 | 44% | 0.435 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 175.3 | -67.6 | -174.6 | 177.1 | -172.3 | 0 | 111 | L266 A270 N271 R279 | L266-K275 HydrophobicContact CD1-CB 4.29Å; L266-K275 HydrophobicContact CD1-CG 3.77Å; A270-K275 WeakPolarHBondContact O-CE 3.49Å; N271-K275 PolarHBondContact O-N 3.25Å; N271-K275 VanDerWaalsContact O-N 3.09Å; K275-R279 PolarHBondContact O-N 2.77Å; K275-R279 VanDerWaalsContact O-N 3.09Å |
| 276 | L | 83 | Confident | 80.6 | Confident | 78 Ų | 78 | 79.4 Ų | 79.4 | 41% | 0.408 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.4 | -47.8 | 176.6 | -72.2 | 172.7 | 0 | 0 | 0 | 113.5 | T8 K272 Q273 M274 R278 R279 K280 | T8-L276 HydrophobicContact CG2-CD2 3.91Å; K272-L276 HydrophobicContact CG-CD1 4.26Å; K272-L276 WeakPolarHBondContact O-CB 3.32Å; K272-L276 VanDerWaalsContact O-CG 3.27Å; K272-L276 WeakPolarHBondContact O-CG 3.36Å; K272-L276 PolarHBondContact O-N 3.31Å; Q273-L276 PolarHBondContact O-N 2.97Å; M274-L276 VanDerWaalsContact C-N 3.34Å; M274-L276 PolarHBondContact O-N 3.16Å; L276-R278 VanDerWaalsContact C-N 3.3Å; L276-R278 PolarHBondContact O-N 3.18Å; L276-R279 PolarHBondContact O-N 2.96Å; L276-R279 VanDerWaalsContact O-N 3.13Å; L276-K280 PolarHBondContact O-N 3.37Å |
| 277 | K | 86 | Confident | 82.2 | Confident | 155 Ų | 155 | 77 Ų | 77 | 67% | 0.674 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -58.5 | -42.8 | 179.2 | -175.1 | 177.7 | -179.5 | 179.4 | 0 | 111.2 | Q273 M274 K280 L281 | Q273-K277 WeakPolarHBondContact O-CB 3.37Å; Q273-K277 PolarHBondContact O-N 3.49Å; M274-K277 PolarHBondContact O-N 2.93Å; K277-K280 PolarHBondContact O-N 3.48Å; K277-L281 WeakPolarHBondContact O-CG 3.22Å; K277-L281 PolarHBondContact O-N 2.83Å; K277-L281 VanDerWaalsContact O-N 3.08Å |
| 278 | R | 82.4 | Confident | 83.7 | Confident | 53 Ų | 53 | 75 Ų | 75 | 20% | 0.2 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 174.9 | -177.6 | 175.4 | 177.5 | 159.6 | -18.1 | 112.3 | Q262 T263 I264 L266 M274 L276 K280 L281 I282 | Q262-R278 VanDerWaalsContact O-CZ 3.32Å; Q262-R278 PolarHBondContact O-NH2 3.45Å; T263-R278 PolarHBondContact O-NH2 3.27Å; I264-R278 PolarHBondContact O-NH1 2.92Å; I264-R278 PolarHBondContact O-NH2 3.36Å; L266-R278 HydrophobicContact CD1-CB 4.42Å; M274-R278 WeakPolarHBondContact O-CB 3.43Å; M274-R278 PolarHBondContact O-N 2.93Å; L276-R278 VanDerWaalsContact C-N 3.3Å; L276-R278 PolarHBondContact O-N 3.18Å; R278-K280 VanDerWaalsContact C-N 3.33Å; R278-K280 PolarHBondContact O-N 3.31Å; R278-L281 PolarHBondContact O-N 3.14Å; R278-I282 HydrophobicContact CG-CD1 4.05Å; R278-I282 WeakPolarHBondContact O-CG1 3.31Å; R278-I282 PolarHBondContact O-N 3.49Å |
| 279 | R | 85 | Confident | 85.1 | Confident | 42 Ų | 42 | 69.8 Ų | 69.8 | 16% | 0.158 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 177.5 | -168.7 | 61 | 170.9 | -178.4 | 0.9 | 111.7 | R4 L242 K275 L276 L281 I282 I283 | R4-R279 VanDerWaalsContact O-CZ 3.25Å; R4-R279 PolarHBondContact O-NE 3.46Å; R4-R279 PolarHBondContact O-NH2 2.88Å; L242-R279 PolarHBondContact O-NH1 2.92Å; L242-R279 PolarHBondContact O-NH2 3.27Å; K275-R279 PolarHBondContact O-N 2.77Å; K275-R279 VanDerWaalsContact O-N 3.09Å; L276-R279 PolarHBondContact O-N 2.96Å; L276-R279 VanDerWaalsContact O-N 3.13Å; R279-L281 PolarHBondContact O-N 2.86Å; R279-I282 PolarHBondContact O-N 2.92Å; R279-I283 HydrophobicContact CG-CD1 4.04Å; R279-I283 VanDerWaalsContact O-CG1 3.27Å; R279-I283 WeakPolarHBondContact O-CG1 3.17Å; R279-I283 PolarHBondContact O-N 3.47Å |
| 280 | K | 88 | Confident | 86.3 | Confident | 83 Ų | 83 | 62.9 Ų | 62.9 | 36% | 0.361 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 171.8 | 170.9 | 153.2 | -172.2 | 172.1 | 0 | 112.5 | Y9 S12 L276 K277 R278 L284 | Y9-K280 HydrophobicContact CD2-CB 4.23Å; Y9-K280 HydrophobicContact CD2-CD 4.23Å; Y9-K280 HydrophobicContact CD2-CG 3.82Å; Y9-K280 HydrophobicContact CE2-CG 4.16Å; S12-K280 PolarHBondContact OG-NZ 3.39Å; L276-K280 PolarHBondContact O-N 3.37Å; K277-K280 PolarHBondContact O-N 3.48Å; R278-K280 VanDerWaalsContact C-N 3.33Å; R278-K280 PolarHBondContact O-N 3.31Å; K280-L284 WeakPolarHBondContact O-CB 3.45Å; K280-L284 PolarHBondContact O-N 2.98Å |
| 281 | L | 86.9 | Confident | 87.2 | Confident | 68 Ų | 68 | 64 Ų | 64 | 36% | 0.356 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 175.4 | -70.8 | 169.7 | 0 | 0 | 0 | 112.6 | K277 R278 R279 I283 L284 N285 | K277-L281 WeakPolarHBondContact O-CG 3.22Å; K277-L281 PolarHBondContact O-N 2.83Å; K277-L281 VanDerWaalsContact O-N 3.08Å; R278-L281 PolarHBondContact O-N 3.14Å; R279-L281 PolarHBondContact O-N 2.86Å; L281-I283 PolarHBondContact O-N 3.17Å; L281-L284 PolarHBondContact O-N 3.47Å; L281-N285 VanDerWaalsContact O-CB 3.29Å; L281-N285 WeakPolarHBondContact O-CB 3.48Å; L281-N285 PolarHBondContact O-N 3.32Å; L281-N285 PolarHBondContact O-OD1 3.05Å |
| 282 | I | 86.4 | Confident | 87.5 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 8% | 0.077 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 176.1 | -68.4 | 166.8 | 0 | 0 | 0 | 110.6 | L242 I258 R278 R279 L286 | L242-I282 HydrophobicContact CD2-CG2 4.31Å; I258-I282 HydrophobicContact CD1-CG2 4.1Å; I258-I282 VanDerWaalsContact CD1-O 3.3Å; I258-I282 WeakPolarHBondContact CD1-O 3.47Å; R278-I282 HydrophobicContact CG-CD1 4.05Å; R278-I282 WeakPolarHBondContact O-CG1 3.31Å; R278-I282 PolarHBondContact O-N 3.49Å; R279-I282 PolarHBondContact O-N 2.92Å; I282-L286 WeakPolarHBondContact O-CB 3.22Å; I282-L286 PolarHBondContact O-N 3.5Å |
| 283 | I | 90 | Very high | 88 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -50.4 | 179 | -65.9 | 163.5 | 0 | 0 | 0 | 110.8 | Y9 L242 R279 L281 N285 L286 I287 | Y9-I283 HydrophobicContact CD1-CG2 3.56Å; Y9-I283 HydrophobicContact CD2-CB 4.07Å; Y9-I283 HydrophobicContact CD2-CD1 4.48Å; Y9-I283 HydrophobicContact CD2-CG2 3.88Å; Y9-I283 HydrophobicContact CE1-CG2 3.63Å; Y9-I283 HydrophobicContact CE2-CB 4.31Å; Y9-I283 HydrophobicContact CE2-CG2 3.95Å; Y9-I283 HydrophobicContact CG-CB 4.2Å; Y9-I283 HydrophobicContact CG-CD1 4.08Å; Y9-I283 HydrophobicContact CG-CG2 3.69Å; L242-I283 HydrophobicContact CD1-CG1 3.86Å; L242-I283 HydrophobicContact CD1-CG2 4.43Å; L242-I283 HydrophobicContact CD2-CB 4.48Å; L242-I283 HydrophobicContact CD2-CG1 3.58Å; L242-I283 HydrophobicContact CG-CG1 4.4Å; R279-I283 HydrophobicContact CG-CD1 4.04Å; R279-I283 VanDerWaalsContact O-CG1 3.27Å; R279-I283 WeakPolarHBondContact O-CG1 3.17Å; R279-I283 PolarHBondContact O-N 3.47Å; L281-I283 PolarHBondContact O-N 3.17Å; I283-N285 PolarHBondContact O-N 2.96Å; I283-L286 PolarHBondContact O-N 2.99Å; I283-I287 HydrophobicContact CG2-CD1 3.62Å; I283-I287 HydrophobicContact CG2-CG1 4.41Å; I283-I287 VanDerWaalsContact O-CG1 3.27Å; I283-I287 WeakPolarHBondContact O-CG1 3.27Å; I283-I287 PolarHBondContact O-N 3.24Å |
| 284 | L | 89.5 | Confident | 88.3 | Confident | 68 Ų | 68 | 60.3 Ų | 60.3 | 36% | 0.356 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.2 | -47.7 | 179.4 | -178.1 | 67.5 | 0 | 0 | 0 | 112.2 | Y9 K280 L281 L286 I287 N288 | Y9-L284 HydrophobicContact CE2-CB 4.33Å; K280-L284 WeakPolarHBondContact O-CB 3.45Å; K280-L284 PolarHBondContact O-N 2.98Å; L281-L284 PolarHBondContact O-N 3.47Å; L284-L286 VanDerWaalsContact C-N 3.32Å; L284-L286 PolarHBondContact O-N 3.49Å; L284-I287 PolarHBondContact O-N 3.32Å; L284-N288 VanDerWaalsContact O-CG 3.32Å; L284-N288 PolarHBondContact O-N 3.29Å |
| 285 | N | 89 | Confident | 88.5 | Confident | 45 Ų | 45 | 60 Ų | 60 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.2 | -33.2 | -178.6 | -67.9 | -3.9 | 0 | 0 | 0 | 111.9 | I258 L281 I283 W289 | I258-N285 HydrophobicContact CB-CB 4.06Å; I258-N285 HydrophobicContact CD1-CB 3.91Å; I258-N285 HydrophobicContact CG2-CB 3.71Å; L281-N285 VanDerWaalsContact O-CB 3.29Å; L281-N285 WeakPolarHBondContact O-CB 3.48Å; L281-N285 PolarHBondContact O-N 3.32Å; L281-N285 PolarHBondContact O-OD1 3.05Å; I283-N285 PolarHBondContact O-N 2.96Å; N285-W289 WeakPolarHBondContact O-CB 3.47Å; N285-W289 PolarHBondContact O-N 3.05Å |
| 286 | L | 90.7 | Very high | 89 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.5 | -39 | 177.5 | -174.9 | 57.5 | 0 | 0 | 0 | 111.7 | L238 L241 L242 L256 I258 I282 I283 L284 W289 L290 | L238-L286 HydrophobicContact CD1-CB 4.19Å; L238-L286 HydrophobicContact CD1-CD2 3.75Å; L238-L286 HydrophobicContact CD1-CG 3.75Å; L241-L286 HydrophobicContact CB-CD2 3.93Å; L241-L286 HydrophobicContact CD1-CD1 4.22Å; L242-L286 HydrophobicContact CD2-CD2 3.87Å; L242-L286 HydrophobicContact CG-CD2 4.01Å; L256-L286 HydrophobicContact CD1-CD2 4.27Å; L256-L286 HydrophobicContact CD2-CD1 4.02Å; I258-L286 HydrophobicContact CD1-CB 3.88Å; I282-L286 WeakPolarHBondContact O-CB 3.22Å; I282-L286 PolarHBondContact O-N 3.5Å; I283-L286 PolarHBondContact O-N 2.99Å; L284-L286 VanDerWaalsContact C-N 3.32Å; L284-L286 PolarHBondContact O-N 3.49Å; L286-W289 HydrophobicContact CD1-CE3 3.96Å; L286-W289 HydrophobicContact CD1-CZ3 4.46Å; L286-W289 PolarHBondContact O-N 3.39Å; L286-L290 HydrophobicContact CD1-CD1 4.35Å; L286-L290 HydrophobicContact CD1-CG 4.31Å; L286-L290 HydrophobicContact CG-CD1 4.18Å; L286-L290 WeakPolarHBondContact O-CB 3.4Å; L286-L290 WeakPolarHBondContact O-CG 3.28Å; L286-L290 PolarHBondContact O-N 3.03Å |
| 287 | I | 91.6 | Very high | 89.4 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 173.1 | -71 | 167.7 | 0 | 0 | 0 | 110.5 | Y9 G226 L227 L230 L238 I283 L284 W289 L290 S291 | Y9-I287 HydrophobicContact CE1-CD1 3.89Å; G226-I287 WeakPolarHBondContact O-CD1 3.22Å; L227-I287 HydrophobicContact CD2-CD1 3.98Å; L230-I287 HydrophobicContact CB-CG2 4.35Å; L230-I287 HydrophobicContact CD2-CG1 4.34Å; L238-I287 HydrophobicContact CD1-CG1 3.75Å; L238-I287 HydrophobicContact CD2-CD1 4.09Å; L238-I287 HydrophobicContact CD2-CG1 3.78Å; L238-I287 HydrophobicContact CG-CG1 4.43Å; I283-I287 HydrophobicContact CG2-CD1 3.62Å; I283-I287 HydrophobicContact CG2-CG1 4.41Å; I283-I287 VanDerWaalsContact O-CG1 3.27Å; I283-I287 WeakPolarHBondContact O-CG1 3.27Å; I283-I287 PolarHBondContact O-N 3.24Å; L284-I287 PolarHBondContact O-N 3.32Å; I287-W289 VanDerWaalsContact C-N 3.33Å; I287-W289 PolarHBondContact O-N 3.46Å; I287-L290 PolarHBondContact O-N 2.93Å; I287-S291 PolarHBondContact O-N 3.18Å |
| 288 | N | 90.1 | Very high | 89.7 | Confident | 59 Ų | 59 | 52.3 Ų | 52.3 | 32% | 0.316 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 175.9 | -70.5 | -14.3 | 0 | 0 | 0 | 111.3 | L284 S291 Y292 | L284-N288 VanDerWaalsContact O-CG 3.32Å; L284-N288 PolarHBondContact O-N 3.29Å; N288-S291 PolarHBondContact O-N 3.15Å; N288-S291 PolarHBondContact O-OG 3.36Å; N288-Y292 WeakPolarHBondContact O-CD2 3.35Å; N288-Y292 WeakPolarHBondContact O-CE2 3.47Å |
| 289 | W | 91.7 | Very high | 90.2 | Very high | 41 Ų | 41 | 55.6 Ų | 55.6 | 16% | 0.155 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 178.3 | 179.5 | 71.6 | 0 | 0 | 0 | 113.3 | P257 N285 L286 I287 S291 Y292 F293 P300 C303 I304 | P257-W289 HydrophobicContact CG-CD2 3.62Å; P257-W289 VanDerWaalsContact CG-CE2 3.4Å; P257-W289 HydrophobicContact CG-CE3 4.27Å; P257-W289 HydrophobicContact CG-CG 3.87Å; P257-W289 HydrophobicContact CG-CH2 4.45Å; P257-W289 HydrophobicContact CG-CZ2 3.85Å; N285-W289 WeakPolarHBondContact O-CB 3.47Å; N285-W289 PolarHBondContact O-N 3.05Å; L286-W289 HydrophobicContact CD1-CE3 3.96Å; L286-W289 HydrophobicContact CD1-CZ3 4.46Å; L286-W289 PolarHBondContact O-N 3.39Å; I287-W289 VanDerWaalsContact C-N 3.33Å; I287-W289 PolarHBondContact O-N 3.46Å; W289-S291 VanDerWaalsContact C-N 3.25Å; W289-S291 PolarHBondContact O-N 3.09Å; W289-Y292 WeakPolarHBondContact O-CD2 3.42Å; W289-Y292 PolarHBondContact O-N 2.8Å; W289-F293 AromaticContact CD2-CE2 3.93Å; W289-F293 HydrophobicContact CD2-CE2 3.93Å; W289-F293 AromaticContact CE2-CE2 3.45Å; W289-F293 VanDerWaalsContact CE2-CE2 3.45Å; W289-F293 AromaticContact CE2-CZ 3.77Å; W289-F293 HydrophobicContact CE3-CE2 4.37Å; W289-F293 HydrophobicContact CG-CE2 4.47Å; W289-F293 HydrophobicContact CH2-CE2 4.07Å; W289-F293 HydrophobicContact CH2-CZ 4.29Å; W289-F293 AromaticContact CZ2-CE2 3.56Å; W289-F293 HydrophobicContact CZ2-CE2 3.56Å; W289-F293 AromaticContact CZ2-CZ 3.56Å; W289-F293 HydrophobicContact CZ2-CZ 3.56Å; W289-F293 HydrophobicContact CZ3-CE2 4.43Å; W289-F293 AromaticContact NE1-CE2 3.73Å; W289-F293 AromaticContact NE1-CZ 3.93Å; W289-F293 WeakPolarHBondContact O-CD2 3.32Å; W289-F293 VanDerWaalsContact O-CE2 3.3Å; W289-F293 WeakPolarHBondContact O-CE2 3.45Å; W289-P300 HydrophobicContact CH2-CB 3.5Å; W289-P300 VanDerWaalsContact CH2-CB 3.5Å; W289-P300 HydrophobicContact CZ2-CB 4.29Å; W289-P300 HydrophobicContact CZ3-CB 3.78Å; W289-C303 HydrophobicContact CH2-CB 4.25Å; W289-C303 HydrophobicContact CZ2-CB 3.92Å; W289-I304 HydrophobicContact CH2-CD1 3.79Å; W289-I304 HydrophobicContact CH2-CG1 3.84Å; W289-I304 HydrophobicContact CZ3-CD1 3.74Å; W289-I304 HydrophobicContact CZ3-CG1 4.26Å |
| 290 | L | 93.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.6 | -27.8 | 176.8 | -72.4 | 173.2 | 0 | 0 | 0 | 112.6 | L230 L237 L238 L241 L286 I287 Y292 F293 P300 | L230-L290 HydrophobicContact CD1-CB 3.53Å; L230-L290 HydrophobicContact CD1-CD1 4.39Å; L237-L290 HydrophobicContact CD2-CD2 3.77Å; L237-L290 HydrophobicContact CG-CD2 4.2Å; L238-L290 HydrophobicContact CB-CD1 3.81Å; L238-L290 HydrophobicContact CD1-CD1 4.09Å; L241-L290 HydrophobicContact CD1-CD2 4.38Å; L286-L290 HydrophobicContact CD1-CD1 4.35Å; L286-L290 HydrophobicContact CD1-CG 4.31Å; L286-L290 HydrophobicContact CG-CD1 4.18Å; L286-L290 WeakPolarHBondContact O-CB 3.4Å; L286-L290 WeakPolarHBondContact O-CG 3.28Å; L286-L290 PolarHBondContact O-N 3.03Å; I287-L290 PolarHBondContact O-N 2.93Å; L290-Y292 PolarHBondContact O-N 3.5Å; L290-F293 PolarHBondContact O-N 3.09Å; L290-P300 HydrophobicContact CD2-CB 3.88Å; L290-P300 HydrophobicContact CD2-CG 4.29Å |
| 291 | S | 91.8 | Very high | 90.9 | Very high | 29 Ų | 29 | 49.8 Ų | 49.8 | 20% | 0.203 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -64.6 | -16.2 | 177.5 | 72.3 | 0 | 0 | 0 | 0 | 114.6 | N229 I287 N288 W289 F293 | N229-S291 WeakPolarHBondContact O-CB 3.25Å; I287-S291 PolarHBondContact O-N 3.18Å; N288-S291 PolarHBondContact O-N 3.15Å; N288-S291 PolarHBondContact O-OG 3.36Å; W289-S291 VanDerWaalsContact C-N 3.25Å; W289-S291 PolarHBondContact O-N 3.09Å; S291-F293 VanDerWaalsContact C-N 3.28Å; S291-F293 PolarHBondContact O-N 2.87Å |
| 292 | Y | 92.3 | Very high | 91.2 | Very high | 179 Ų | 179 | 51.4 Ų | 51.4 | 70% | 0.702 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -80.3 | 0.4 | 176.2 | -59.3 | -59 | 0 | 0 | 0 | 114.9 | N288 W289 L290 | N288-Y292 WeakPolarHBondContact O-CD2 3.35Å; N288-Y292 WeakPolarHBondContact O-CE2 3.47Å; W289-Y292 WeakPolarHBondContact O-CD2 3.42Å; W289-Y292 PolarHBondContact O-N 2.8Å; L290-Y292 PolarHBondContact O-N 3.5Å |
| 293 | F | 92.1 | Very high | 91.4 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 15% | 0.154 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -114.4 | 4.1 | -175.7 | -60.8 | -85.3 | 0 | 0 | 0 | 114.1 | W289 L290 S291 S295 D296 K299 P300 | W289-F293 AromaticContact CD2-CE2 3.93Å; W289-F293 HydrophobicContact CD2-CE2 3.93Å; W289-F293 AromaticContact CE2-CE2 3.45Å; W289-F293 VanDerWaalsContact CE2-CE2 3.45Å; W289-F293 AromaticContact CE2-CZ 3.77Å; W289-F293 HydrophobicContact CE3-CE2 4.37Å; W289-F293 HydrophobicContact CG-CE2 4.47Å; W289-F293 HydrophobicContact CH2-CE2 4.07Å; W289-F293 HydrophobicContact CH2-CZ 4.29Å; W289-F293 AromaticContact CZ2-CE2 3.56Å; W289-F293 HydrophobicContact CZ2-CE2 3.56Å; W289-F293 AromaticContact CZ2-CZ 3.56Å; W289-F293 HydrophobicContact CZ2-CZ 3.56Å; W289-F293 HydrophobicContact CZ3-CE2 4.43Å; W289-F293 AromaticContact NE1-CE2 3.73Å; W289-F293 AromaticContact NE1-CZ 3.93Å; W289-F293 WeakPolarHBondContact O-CD2 3.32Å; W289-F293 VanDerWaalsContact O-CE2 3.3Å; W289-F293 WeakPolarHBondContact O-CE2 3.45Å; L290-F293 PolarHBondContact O-N 3.09Å; S291-F293 VanDerWaalsContact C-N 3.28Å; S291-F293 PolarHBondContact O-N 2.87Å; F293-S295 PolarHBondContact O-N 2.88Å; F293-D296 WeakPolarHBondContact O-CB 3.18Å; F293-D296 PolarHBondContact O-N 2.98Å; F293-K299 HydrophobicContact CD1-CB 3.6Å; F293-K299 HydrophobicContact CD1-CD 4.39Å; F293-K299 HydrophobicContact CE1-CB 3.9Å; F293-P300 HydrophobicContact CB-CG 4.15Å; F293-P300 HydrophobicContact CD1-CB 4.36Å; F293-P300 HydrophobicContact CD1-CG 4.32Å; F293-P300 HydrophobicContact CD2-CB 3.9Å; F293-P300 HydrophobicContact CD2-CG 4.2Å; F293-P300 HydrophobicContact CE1-CB 4.43Å; F293-P300 HydrophobicContact CE2-CB 3.99Å; F293-P300 HydrophobicContact CG-CB 4.08Å; F293-P300 HydrophobicContact CG-CG 3.97Å; F293-P300 HydrophobicContact CZ-CB 4.25Å |
| 294 | D | 88.3 | Confident | 91.5 | Very high | 117 Ų | 117 | 53.5 Ų | 53.5 | 63% | 0.626 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | -122.5 | -177.2 | -61.7 | -52.8 | 0 | 0 | 0 | 112 | P231 Q234 | P231-D294 WeakPolarHBondContact CG-O 3.35Å; Q234-D294 WeakPolarHBondContact CG-O 3.19Å; Q234-D294 PolarHBondContact NE2-O 3.13Å |
| 295 | S | 88 | Confident | 91.7 | Very high | 87 Ų | 87 | 50.4 Ų | 50.4 | 61% | 0.608 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 0.5 | 178.6 | -58.9 | 0 | 0 | 0 | 0 | 114.3 | F293 I297 | F293-S295 PolarHBondContact O-N 2.88Å; S295-I297 PolarHBondContact O-N 3.49Å |
| 296 | D | 92.2 | Very high | 91.8 | Very high | 45 Ų | 45 | 52.2 Ų | 52.2 | 24% | 0.241 | 26% | 0.263 | C | S | . | . | trans | -84.6 | 103.9 | -178.1 | -171.8 | -29.7 | 0 | 0 | 0 | 111.1 | Q234 F293 H298 K299 P300 | Q234-D296 VanDerWaalsContact NE2-C 3.32Å; Q234-D296 PolarHBondContact NE2-O 3.44Å; F293-D296 WeakPolarHBondContact O-CB 3.18Å; F293-D296 PolarHBondContact O-N 2.98Å; D296-H298 WeakPolarHBondContact OD1-CA 3.45Å; D296-H298 PolarHBondContact OD1-N 3.37Å; D296-K299 PolarHBondContact OD1-N 3.42Å; D296-K299 WeakPolarHBondContact OD2-CD 3.32Å; D296-K299 WeakPolarHBondContact OD2-CE 3.43Å; D296-K299 VanDerWaalsContact OD2-CG 3.29Å; D296-K299 WeakPolarHBondContact OD2-CG 3.35Å; D296-K299 IonicContact OD2-NZ 2.64Å; D296-K299 PolarHBondContact OD2-NZ 2.88Å; D296-P300 WeakPolarHBondContact O-CD 3.24Å; D296-P300 WeakPolarHBondContact O-CG 3.29Å | ||
| 297 | I | 92 | Very high | 91.8 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -81.7 | -19.6 | 173.9 | 60.1 | 172.1 | 0 | 0 | 0 | 113.1 | I233 S295 P300 I301 I324 | I233-I297 HydrophobicContact CD1-CG2 4.34Å; I233-I297 HydrophobicContact CG1-CG2 3.89Å; I233-I297 HydrophobicContact CG2-CG2 4.19Å; S295-I297 PolarHBondContact O-N 3.49Å; I297-P300 WeakPolarHBondContact O-CD 3.4Å; I297-P300 WeakPolarHBondContact O-CG 2.92Å; I297-I301 HydrophobicContact CB-CD1 4.48Å; I297-I301 WeakPolarHBondContact O-CB 3.39Å; I297-I301 VanDerWaalsContact O-CD1 3.28Å; I297-I301 WeakPolarHBondContact O-CD1 3.24Å; I297-I301 WeakPolarHBondContact O-CG1 3.49Å; I297-I301 PolarHBondContact O-N 2.91Å; I297-I324 HydrophobicContact CD1-CG2 4.46Å |
| 298 | H | 92.5 | Very high | 91.7 | Very high | 106 Ų | 106 | 59.6 Ų | 59.6 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -76.8 | -40.7 | -174.1 | -64.4 | -73.4 | 0 | 0 | 0 | 112 | D296 I301 Q302 | D296-H298 WeakPolarHBondContact OD1-CA 3.45Å; D296-H298 PolarHBondContact OD1-N 3.37Å; H298-I301 PolarHBondContact O-N 3.37Å; H298-Q302 VanDerWaalsContact O-CB 3.27Å; H298-Q302 WeakPolarHBondContact O-CB 3.45Å; H298-Q302 PolarHBondContact O-N 2.94Å |
| 299 | K | 93 | Very high | 91.8 | Very high | 122 Ų | 122 | 60.5 Ų | 60.5 | 53% | 0.53 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.4 | -54.2 | 173.1 | -76 | -178.7 | -172.1 | 101.1 | 0 | 113.2 | F293 D296 I301 Q302 C303 | F293-K299 HydrophobicContact CD1-CB 3.6Å; F293-K299 HydrophobicContact CD1-CD 4.39Å; F293-K299 HydrophobicContact CE1-CB 3.9Å; D296-K299 PolarHBondContact OD1-N 3.42Å; D296-K299 WeakPolarHBondContact OD2-CD 3.32Å; D296-K299 WeakPolarHBondContact OD2-CE 3.43Å; D296-K299 VanDerWaalsContact OD2-CG 3.29Å; D296-K299 WeakPolarHBondContact OD2-CG 3.35Å; D296-K299 IonicContact OD2-NZ 2.64Å; D296-K299 PolarHBondContact OD2-NZ 2.88Å; K299-I301 PolarHBondContact O-N 3.29Å; K299-Q302 PolarHBondContact O-N 3.43Å; K299-C303 WeakPolarHBondContact O-CB 3.41Å; K299-C303 PolarHBondContact O-N 3.1Å; K299-C303 PolarHBondContact O-SG 3.33Å |
| 300 | P | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 179.9 | 23.1 | -31 | 0 | 0 | 0 | 112.4 | L237 W289 L290 F293 D296 I297 Q302 C303 I304 | L237-P300 HydrophobicContact CD2-CB 4.02Å; L237-P300 HydrophobicContact CD2-CG 3.64Å; W289-P300 HydrophobicContact CH2-CB 3.5Å; W289-P300 VanDerWaalsContact CH2-CB 3.5Å; W289-P300 HydrophobicContact CZ2-CB 4.29Å; W289-P300 HydrophobicContact CZ3-CB 3.78Å; L290-P300 HydrophobicContact CD2-CB 3.88Å; L290-P300 HydrophobicContact CD2-CG 4.29Å; F293-P300 HydrophobicContact CB-CG 4.15Å; F293-P300 HydrophobicContact CD1-CB 4.36Å; F293-P300 HydrophobicContact CD1-CG 4.32Å; F293-P300 HydrophobicContact CD2-CB 3.9Å; F293-P300 HydrophobicContact CD2-CG 4.2Å; F293-P300 HydrophobicContact CE1-CB 4.43Å; F293-P300 HydrophobicContact CE2-CB 3.99Å; F293-P300 HydrophobicContact CG-CB 4.08Å; F293-P300 HydrophobicContact CG-CG 3.97Å; F293-P300 HydrophobicContact CZ-CB 4.25Å; D296-P300 WeakPolarHBondContact O-CD 3.24Å; D296-P300 WeakPolarHBondContact O-CG 3.29Å; I297-P300 WeakPolarHBondContact O-CD 3.4Å; I297-P300 WeakPolarHBondContact O-CG 2.92Å; P300-Q302 PolarHBondContact O-N 3.41Å; P300-C303 PolarHBondContact O-N 2.72Å; P300-I304 WeakPolarHBondContact O-CG1 3.34Å; P300-I304 PolarHBondContact O-N 3.37Å; P300-I304 VanDerWaalsContact O-N 3.11Å |
| 301 | I | 94 | Very high | 91.5 | Very high | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.4 | -50.2 | 171.9 | -71.6 | 170.3 | 0 | 0 | 0 | 110.4 | L237 I297 H298 K299 C303 I304 L305 Y317 L320 I321 I324 | L237-I301 HydrophobicContact CD1-CD1 4.25Å; L237-I301 HydrophobicContact CD1-CG1 3.75Å; L237-I301 HydrophobicContact CD2-CG1 4.09Å; I297-I301 HydrophobicContact CB-CD1 4.48Å; I297-I301 WeakPolarHBondContact O-CB 3.39Å; I297-I301 VanDerWaalsContact O-CD1 3.28Å; I297-I301 WeakPolarHBondContact O-CD1 3.24Å; I297-I301 WeakPolarHBondContact O-CG1 3.49Å; I297-I301 PolarHBondContact O-N 2.91Å; H298-I301 PolarHBondContact O-N 3.37Å; K299-I301 PolarHBondContact O-N 3.29Å; I301-C303 PolarHBondContact O-N 3.44Å; I301-I304 PolarHBondContact O-N 2.94Å; I301-I304 VanDerWaalsContact O-N 3.14Å; I301-L305 HydrophobicContact CG2-CD1 3.6Å; I301-L305 HydrophobicContact CG2-CG 4.15Å; I301-L305 WeakPolarHBondContact O-CB 3.32Å; I301-L305 WeakPolarHBondContact O-CG 3.33Å; I301-L305 PolarHBondContact O-N 3.4Å; I301-Y317 HydrophobicContact CG2-CD2 3.78Å; I301-Y317 HydrophobicContact CG2-CE2 4.11Å; I301-L320 HydrophobicContact CG1-CD1 4.39Å; I301-L320 HydrophobicContact CG2-CD1 4.12Å; I301-I321 HydrophobicContact CD1-CD1 4.02Å; I301-I324 HydrophobicContact CD1-CD1 3.88Å |
| 302 | Q | 92.9 | Very high | 91.5 | Very high | 103 Ų | 103 | 77.8 Ų | 77.8 | 48% | 0.481 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.4 | -35.6 | -179.6 | -175.4 | 66 | -20.8 | 0 | 0 | 112.7 | H298 K299 P300 I304 N306 | H298-Q302 VanDerWaalsContact O-CB 3.27Å; H298-Q302 WeakPolarHBondContact O-CB 3.45Å; H298-Q302 PolarHBondContact O-N 2.94Å; K299-Q302 PolarHBondContact O-N 3.43Å; P300-Q302 PolarHBondContact O-N 3.41Å; Q302-I304 VanDerWaalsContact C-N 3.31Å; Q302-I304 PolarHBondContact O-N 3.37Å; Q302-N306 VanDerWaalsContact O-CB 3.24Å; Q302-N306 WeakPolarHBondContact O-CB 3.43Å; Q302-N306 VanDerWaalsContact O-CG 3.31Å; Q302-N306 PolarHBondContact O-N 3.39Å; Q302-N306 PolarHBondContact O-ND2 3.42Å |
| 303 | C | 91.8 | Very high | 91.5 | Very high | 59 Ų | 59 | 72.3 Ų | 72.3 | 40% | 0.399 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.4 | -38.2 | 172.5 | -76.2 | 0 | 0 | 0 | 0 | 112.8 | W289 K299 P300 I301 | W289-C303 HydrophobicContact CH2-CB 4.25Å; W289-C303 HydrophobicContact CZ2-CB 3.92Å; K299-C303 WeakPolarHBondContact O-CB 3.41Å; K299-C303 PolarHBondContact O-N 3.1Å; K299-C303 PolarHBondContact O-SG 3.33Å; P300-C303 PolarHBondContact O-N 2.72Å; I301-C303 PolarHBondContact O-N 3.44Å |
| 304 | I | 91.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -77.5 | -48.7 | 178.8 | -69.2 | 167.9 | 0 | 0 | 0 | 110.8 | L241 F252 L256 W289 P300 I301 Q302 N306 K307 Y308 | L241-I304 HydrophobicContact CD1-CD1 3.41Å; L241-I304 VanDerWaalsContact CD1-CD1 3.41Å; L241-I304 HydrophobicContact CD2-CD1 3.6Å; L241-I304 HydrophobicContact CG-CD1 4.16Å; F252-I304 HydrophobicContact CD1-CG2 3.63Å; F252-I304 HydrophobicContact CE1-CG2 4.36Å; F252-I304 HydrophobicContact CG-CG2 4.44Å; L256-I304 HydrophobicContact CD2-CD1 3.93Å; W289-I304 HydrophobicContact CH2-CD1 3.79Å; W289-I304 HydrophobicContact CH2-CG1 3.84Å; W289-I304 HydrophobicContact CZ3-CD1 3.74Å; W289-I304 HydrophobicContact CZ3-CG1 4.26Å; P300-I304 WeakPolarHBondContact O-CG1 3.34Å; P300-I304 PolarHBondContact O-N 3.37Å; P300-I304 VanDerWaalsContact O-N 3.11Å; I301-I304 PolarHBondContact O-N 2.94Å; I301-I304 VanDerWaalsContact O-N 3.14Å; Q302-I304 VanDerWaalsContact C-N 3.31Å; Q302-I304 PolarHBondContact O-N 3.37Å; I304-N306 PolarHBondContact O-N 3.42Å; I304-K307 WeakPolarHBondContact O-CB 3.31Å; I304-K307 PolarHBondContact O-N 3.03Å; I304-Y308 HydrophobicContact CG2-CE2 4.21Å; I304-Y308 WeakPolarHBondContact O-CD2 3.37Å |
| 305 | L | 92.7 | Very high | 91.6 | Very high | 3 Ų | 3 | 75.5 Ų | 75.5 | 2% | 0.016 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.5 | -28.9 | 177.7 | -68.3 | 179.3 | 0 | 0 | 0 | 112.3 | F252 I301 K307 Y308 R313 L316 Y317 L320 | F252-L305 HydrophobicContact CE1-CD2 4.39Å; I301-L305 HydrophobicContact CG2-CD1 3.6Å; I301-L305 HydrophobicContact CG2-CG 4.15Å; I301-L305 WeakPolarHBondContact O-CB 3.32Å; I301-L305 WeakPolarHBondContact O-CG 3.33Å; I301-L305 PolarHBondContact O-N 3.4Å; L305-K307 PolarHBondContact O-N 2.58Å; L305-K307 VanDerWaalsContact O-N 3.11Å; L305-Y308 PolarHBondContact O-N 2.73Å; L305-R313 HydrophobicContact CB-CG 4.21Å; L305-R313 WeakPolarHBondContact O-CG 3.35Å; L305-R313 PolarHBondContact O-NE 2.89Å; L305-R313 VanDerWaalsContact O-NE 3.12Å; L305-L316 HydrophobicContact CD2-CB 3.51Å; L305-L316 HydrophobicContact CD2-CD1 4.44Å; L305-Y317 HydrophobicContact CD1-CD2 3.77Å; L305-Y317 HydrophobicContact CD1-CG 4.24Å; L305-L320 HydrophobicContact CD2-CD1 4.42Å |
| 306 | N | 91.9 | Very high | 91.9 | Very high | 84 Ų | 84 | 72.1 Ų | 72.1 | 45% | 0.449 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -14.4 | 171.7 | -89.8 | -41.7 | 0 | 0 | 0 | 114.9 | Q302 I304 R313 | Q302-N306 VanDerWaalsContact O-CB 3.24Å; Q302-N306 WeakPolarHBondContact O-CB 3.43Å; Q302-N306 VanDerWaalsContact O-CG 3.31Å; Q302-N306 PolarHBondContact O-N 3.39Å; Q302-N306 PolarHBondContact O-ND2 3.42Å; I304-N306 PolarHBondContact O-N 3.42Å; N306-R313 PolarHBondContact O-NH2 2.99Å; N306-R313 VanDerWaalsContact O-NH2 3.1Å; N306-R313 PolarHBondContact OD1-NH1 2.88Å |
| 307 | K | 90.1 | Very high | 92 | Very high | 133 Ų | 133 | 74.1 Ų | 74.1 | 58% | 0.578 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -8.8 | 173.2 | -54 | -59.8 | -174.7 | 175.2 | 0 | 114.1 | I304 L305 | I304-K307 WeakPolarHBondContact O-CB 3.31Å; I304-K307 PolarHBondContact O-N 3.03Å; L305-K307 PolarHBondContact O-N 2.58Å; L305-K307 VanDerWaalsContact O-N 3.11Å |
| 308 | Y | 90.6 | Very high | 91.9 | Very high | 28 Ų | 28 | 77.2 Ų | 77.2 | 11% | 0.11 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -104.2 | 160.7 | 179.9 | -67.3 | -95.1 | 0 | 0 | 0 | 111.4 | T251 F252 G255 I304 L305 R313 L316 | T251-Y308 PolarHBondContact O-OH 2.88Å; F252-Y308 VanDerWaalsContact CA-OH 3.28Å; F252-Y308 WeakPolarHBondContact CA-OH 3.17Å; F252-Y308 HydrophobicContact CD1-CE2 4.23Å; F252-Y308 PolarHBondContact O-OH 2.89Å; G255-Y308 PolarHBondContact N-OH 2.87Å; I304-Y308 HydrophobicContact CG2-CE2 4.21Å; I304-Y308 WeakPolarHBondContact O-CD2 3.37Å; L305-Y308 PolarHBondContact O-N 2.73Å; Y308-R313 PolarHBondContact O-NE 3.3Å; Y308-R313 PolarHBondContact O-NH2 2.78Å; Y308-L316 HydrophobicContact CD1-CD1 3.45Å; Y308-L316 VanDerWaalsContact CD1-CD1 3.45Å; Y308-L316 HydrophobicContact CD2-CD1 4.12Å; Y308-L316 HydrophobicContact CE1-CD1 3.95Å; Y308-L316 HydrophobicContact CG-CD1 3.56Å |
| 309 | T | 91.5 | Very high | 91.8 | Very high | 78 Ų | 78 | 74.9 Ų | 74.9 | 48% | 0.479 | 37% | 0.365 | S | S | . | . | trans | -65.5 | 154 | 178.6 | 68.6 | 0 | 0 | 0 | 0 | 110.7 | L311 E312 R313 | T309-L311 PolarHBondContact O-N 3.16Å; T309-L311 VanDerWaalsContact O-N 3.13Å; T309-E312 VanDerWaalsContact CB-OE2 3.28Å; T309-E312 WeakPolarHBondContact CB-OE2 3.32Å; T309-E312 WeakPolarHBondContact CG2-OE2 3.27Å; T309-E312 PolarHBondContact N-OE2 3.31Å; T309-E312 PolarHBondContact O-N 3.13Å; T309-E312 VanDerWaalsContact O-N 3.13Å; T309-E312 VanDerWaalsContact OG1-CD 3.29Å; T309-E312 WeakPolarHBondContact OG1-CG 3.47Å; T309-E312 PolarHBondContact OG1-OE2 2.95Å; T309-R313 WeakPolarHBondContact O-CG 3.39Å; T309-R313 PolarHBondContact O-N 3.37Å | ||
| 310 | K | 89.9 | Confident | 91.8 | Very high | 185 Ų | 185 | 69.1 Ų | 69.1 | 80% | 0.804 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -55.2 | -34.6 | -178.6 | -73.3 | -172.9 | 175.6 | -175.8 | 0 | 113 | ||
| 311 | L | 89.6 | Confident | 91.7 | Very high | 162 Ų | 162 | 70.4 Ų | 70.4 | 85% | 0.848 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -67.6 | -39.5 | 179.8 | -60 | 173.8 | 0 | 0 | 0 | 112.6 | T309 | T309-L311 PolarHBondContact O-N 3.16Å; T309-L311 VanDerWaalsContact O-N 3.13Å |
| 312 | E | 90.7 | Very high | 91.4 | Very high | 85 Ų | 85 | 72.9 Ų | 72.9 | 40% | 0.397 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -73.6 | -27.3 | -179.3 | -66.8 | 162.9 | 119.3 | 0 | 0 | 113 | T309 S314 K315 L316 | T309-E312 VanDerWaalsContact CB-OE2 3.28Å; T309-E312 WeakPolarHBondContact CB-OE2 3.32Å; T309-E312 WeakPolarHBondContact CG2-OE2 3.27Å; T309-E312 PolarHBondContact N-OE2 3.31Å; T309-E312 PolarHBondContact O-N 3.13Å; T309-E312 VanDerWaalsContact O-N 3.13Å; T309-E312 VanDerWaalsContact OG1-CD 3.29Å; T309-E312 WeakPolarHBondContact OG1-CG 3.47Å; T309-E312 PolarHBondContact OG1-OE2 2.95Å; E312-S314 PolarHBondContact O-N 3.1Å; E312-K315 PolarHBondContact O-N 2.63Å; E312-L316 HydrophobicContact CB-CD1 3.92Å; E312-L316 HydrophobicContact CB-CG 4.47Å; E312-L316 WeakPolarHBondContact O-CG 3.21Å; E312-L316 PolarHBondContact O-N 3.43Å |
| 313 | R | 93.3 | Very high | 91.3 | Very high | 64 Ų | 64 | 68 Ų | 68 | 24% | 0.242 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | -167.1 | -74.5 | 172.5 | -163.9 | -147.2 | -5.3 | 114.3 | L305 N306 Y308 T309 L316 Y317 | L305-R313 HydrophobicContact CB-CG 4.21Å; L305-R313 WeakPolarHBondContact O-CG 3.35Å; L305-R313 PolarHBondContact O-NE 2.89Å; L305-R313 VanDerWaalsContact O-NE 3.12Å; N306-R313 PolarHBondContact O-NH2 2.99Å; N306-R313 VanDerWaalsContact O-NH2 3.1Å; N306-R313 PolarHBondContact OD1-NH1 2.88Å; Y308-R313 PolarHBondContact O-NE 3.3Å; Y308-R313 PolarHBondContact O-NH2 2.78Å; T309-R313 WeakPolarHBondContact O-CG 3.39Å; T309-R313 PolarHBondContact O-N 3.37Å; R313-L316 PolarHBondContact O-N 3.09Å; R313-Y317 VanDerWaalsContact O-CB 3.25Å; R313-Y317 WeakPolarHBondContact O-CB 3.05Å; R313-Y317 PolarHBondContact O-N 3.33Å |
| 314 | S | 91.9 | Very high | 91.3 | Very high | 80 Ų | 80 | 66.1 Ų | 66.1 | 56% | 0.559 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.2 | -46.7 | -178.3 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | E312 Y317 N318 | E312-S314 PolarHBondContact O-N 3.1Å; S314-Y317 PolarHBondContact O-N 2.89Å; S314-N318 VanDerWaalsContact O-CG 3.3Å; S314-N318 PolarHBondContact O-N 3.02Å |
| 315 | K | 91.5 | Very high | 91.2 | Very high | 140 Ų | 140 | 70.3 Ų | 70.3 | 61% | 0.609 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.1 | -50 | 174.5 | 176.1 | 171.3 | 174.9 | 170.1 | 0 | 112 | E312 Y317 N318 E319 | E312-K315 PolarHBondContact O-N 2.63Å; K315-Y317 VanDerWaalsContact C-N 3.31Å; K315-Y317 PolarHBondContact O-N 3.44Å; K315-N318 PolarHBondContact O-N 3.06Å; K315-E319 WeakPolarHBondContact CE-OE1 3.42Å; K315-E319 IonicContact NZ-OE1 3.27Å; K315-E319 WeakPolarHBondContact O-CG 3.35Å; K315-E319 PolarHBondContact O-N 3.41Å |
| 316 | L | 92.7 | Very high | 91 | Very high | 15 Ų | 15 | 71.1 Ų | 71.1 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.9 | -30.7 | -178.9 | -68.9 | 175 | 0 | 0 | 0 | 112.9 | T251 F252 L305 Y308 E312 R313 L320 | T251-L316 HydrophobicContact CG2-CD2 3.6Å; F252-L316 HydrophobicContact CE1-CB 4.02Å; F252-L316 HydrophobicContact CE1-CD1 4.34Å; F252-L316 HydrophobicContact CE1-CD2 4.06Å; F252-L316 HydrophobicContact CE1-CG 4.37Å; F252-L316 HydrophobicContact CZ-CB 4.02Å; F252-L316 HydrophobicContact CZ-CD2 3.81Å; F252-L316 HydrophobicContact CZ-CG 4.42Å; L305-L316 HydrophobicContact CD2-CB 3.51Å; L305-L316 HydrophobicContact CD2-CD1 4.44Å; Y308-L316 HydrophobicContact CD1-CD1 3.45Å; Y308-L316 VanDerWaalsContact CD1-CD1 3.45Å; Y308-L316 HydrophobicContact CD2-CD1 4.12Å; Y308-L316 HydrophobicContact CE1-CD1 3.95Å; Y308-L316 HydrophobicContact CG-CD1 3.56Å; E312-L316 HydrophobicContact CB-CD1 3.92Å; E312-L316 HydrophobicContact CB-CG 4.47Å; E312-L316 WeakPolarHBondContact O-CG 3.21Å; E312-L316 PolarHBondContact O-N 3.43Å; R313-L316 PolarHBondContact O-N 3.09Å; L316-L320 WeakPolarHBondContact O-CB 3.36Å; L316-L320 WeakPolarHBondContact O-CG 3.27Å; L316-L320 PolarHBondContact O-N 3.33Å; L316-L320 VanDerWaalsContact O-N 3.1Å |
| 317 | Y | 94.2 | Very high | 90.9 | Very high | 88 Ų | 88 | 68 Ų | 68 | 35% | 0.345 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.1 | -49.1 | 171.1 | -178.5 | -96 | 0 | 0 | 0 | 110.9 | I301 L305 R313 S314 K315 E319 L320 I321 | I301-Y317 HydrophobicContact CG2-CD2 3.78Å; I301-Y317 HydrophobicContact CG2-CE2 4.11Å; L305-Y317 HydrophobicContact CD1-CD2 3.77Å; L305-Y317 HydrophobicContact CD1-CG 4.24Å; R313-Y317 VanDerWaalsContact O-CB 3.25Å; R313-Y317 WeakPolarHBondContact O-CB 3.05Å; R313-Y317 PolarHBondContact O-N 3.33Å; S314-Y317 PolarHBondContact O-N 2.89Å; K315-Y317 VanDerWaalsContact C-N 3.31Å; K315-Y317 PolarHBondContact O-N 3.44Å; Y317-E319 PolarHBondContact O-N 3.44Å; Y317-L320 PolarHBondContact O-N 2.85Å; Y317-L320 VanDerWaalsContact O-N 3.16Å; Y317-I321 HydrophobicContact CD1-CG1 4.03Å; Y317-I321 HydrophobicContact CD2-CG1 4.39Å; Y317-I321 HydrophobicContact CE1-CD1 4.46Å; Y317-I321 HydrophobicContact CE1-CG1 3.63Å; Y317-I321 HydrophobicContact CE2-CD1 4.19Å; Y317-I321 HydrophobicContact CE2-CG1 4.04Å; Y317-I321 HydrophobicContact CG-CG1 4.39Å; Y317-I321 WeakPolarHBondContact O-CG1 3.38Å; Y317-I321 PolarHBondContact O-N 2.99Å |
| 318 | N | 91 | Very high | 90.8 | Very high | 85 Ų | 85 | 68 Ų | 68 | 46% | 0.455 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 179.8 | -66.4 | -8.5 | 0 | 0 | 0 | 111.8 | S314 K315 L320 H322 | S314-N318 VanDerWaalsContact O-CG 3.3Å; S314-N318 PolarHBondContact O-N 3.02Å; K315-N318 PolarHBondContact O-N 3.06Å; N318-L320 PolarHBondContact O-N 3.39Å; N318-H322 VanDerWaalsContact O-CB 3.26Å; N318-H322 WeakPolarHBondContact O-CB 3.4Å; N318-H322 PolarHBondContact O-N 3.28Å |
| 319 | E | 89.8 | Confident | 90.8 | Very high | 57 Ų | 57 | 68.3 Ų | 68.3 | 27% | 0.266 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58 | -45.4 | 171.9 | -74.3 | 177.1 | -166 | 0 | 0 | 111.7 | K315 Y317 S323 | K315-E319 WeakPolarHBondContact CE-OE1 3.42Å; K315-E319 IonicContact NZ-OE1 3.27Å; K315-E319 WeakPolarHBondContact O-CG 3.35Å; K315-E319 PolarHBondContact O-N 3.41Å; Y317-E319 PolarHBondContact O-N 3.44Å; E319-S323 VanDerWaalsContact O-CB 3.24Å; E319-S323 WeakPolarHBondContact O-CB 3.29Å; E319-S323 PolarHBondContact O-N 3.02Å |
| 320 | L | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.3 | -47.9 | 177.8 | -79.6 | 167.4 | 0 | 0 | 0 | 113.1 | L237 L241 I247 F252 I301 L305 L316 Y317 N318 S323 I324 | L237-L320 HydrophobicContact CD1-CD2 4.15Å; L241-L320 HydrophobicContact CD2-CD2 3.93Å; I247-L320 HydrophobicContact CD1-CD2 3.96Å; I247-L320 HydrophobicContact CD1-CG 4.45Å; F252-L320 HydrophobicContact CD1-CD1 4.41Å; F252-L320 HydrophobicContact CD2-CD2 4.11Å; F252-L320 HydrophobicContact CE1-CD1 3.68Å; F252-L320 HydrophobicContact CE1-CG 4.12Å; F252-L320 HydrophobicContact CE2-CD1 4.21Å; F252-L320 HydrophobicContact CE2-CD2 3.67Å; F252-L320 HydrophobicContact CE2-CG 3.74Å; F252-L320 HydrophobicContact CZ-CD1 3.57Å; F252-L320 HydrophobicContact CZ-CD2 3.91Å; F252-L320 HydrophobicContact CZ-CG 3.48Å; F252-L320 VanDerWaalsContact CZ-CG 3.48Å; I301-L320 HydrophobicContact CG1-CD1 4.39Å; I301-L320 HydrophobicContact CG2-CD1 4.12Å; L305-L320 HydrophobicContact CD2-CD1 4.42Å; L316-L320 WeakPolarHBondContact O-CB 3.36Å; L316-L320 WeakPolarHBondContact O-CG 3.27Å; L316-L320 PolarHBondContact O-N 3.33Å; L316-L320 VanDerWaalsContact O-N 3.1Å; Y317-L320 PolarHBondContact O-N 2.85Å; Y317-L320 VanDerWaalsContact O-N 3.16Å; N318-L320 PolarHBondContact O-N 3.39Å; L320-S323 CarbonylContact O-C 3.51Å; L320-S323 PolarHBondContact O-N 3.29Å; L320-I324 WeakPolarHBondContact O-CD1 3.36Å; L320-I324 VanDerWaalsContact O-CG1 3.27Å; L320-I324 WeakPolarHBondContact O-CG1 3.24Å; L320-I324 PolarHBondContact O-N 3.4Å |
| 321 | I | 92.3 | Very high | 90.9 | Very high | 27 Ų | 27 | 60.3 Ų | 60.3 | 14% | 0.138 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.9 | -43.1 | -178.6 | -66.2 | -59.8 | 0 | 0 | 0 | 110.6 | I301 Y317 I324 Q325 | I301-I321 HydrophobicContact CD1-CD1 4.02Å; Y317-I321 HydrophobicContact CD1-CG1 4.03Å; Y317-I321 HydrophobicContact CD2-CG1 4.39Å; Y317-I321 HydrophobicContact CE1-CD1 4.46Å; Y317-I321 HydrophobicContact CE1-CG1 3.63Å; Y317-I321 HydrophobicContact CE2-CD1 4.19Å; Y317-I321 HydrophobicContact CE2-CG1 4.04Å; Y317-I321 HydrophobicContact CG-CG1 4.39Å; Y317-I321 WeakPolarHBondContact O-CG1 3.38Å; Y317-I321 PolarHBondContact O-N 2.99Å; I321-I324 PolarHBondContact O-N 3.05Å; I321-I324 VanDerWaalsContact O-N 3.12Å; I321-Q325 HydrophobicContact CG2-CG 4.37Å; I321-Q325 WeakPolarHBondContact O-CG 3.49Å; I321-Q325 PolarHBondContact O-N 3.06Å |
| 322 | H | 88 | Confident | 91.1 | Very high | 54 Ų | 54 | 58 Ų | 58 | 25% | 0.25 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 175.6 | -177.1 | 76.2 | 0 | 0 | 0 | 111.9 | Y84 N318 I324 Q325 S326 | Y84-H322 AromaticContact CD2-NE2 3.55Å; Y84-H322 AromaticContact CE2-CD2 3.64Å; Y84-H322 AromaticContact CE2-CE1 3.84Å; Y84-H322 AromaticContact CE2-NE2 3.16Å; Y84-H322 WeakPolarHBondContact CE2-NE2 3.47Å; Y84-H322 AromaticContact CZ-CD2 3.72Å; Y84-H322 AromaticContact CZ-NE2 3.74Å; N318-H322 VanDerWaalsContact O-CB 3.26Å; N318-H322 WeakPolarHBondContact O-CB 3.4Å; N318-H322 PolarHBondContact O-N 3.28Å; H322-I324 PolarHBondContact O-N 3.39Å; H322-Q325 PolarHBondContact O-N 3.33Å; H322-Q325 VanDerWaalsContact O-N 3.16Å; H322-S326 PolarHBondContact O-N 2.76Å |
| 323 | S | 90.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.4 | -11.7 | 175.1 | -179.2 | 0 | 0 | 0 | 0 | 114.2 | S240 N244 I247 E319 L320 S326 Y327 | S240-S323 WeakPolarHBondContact OG-CB 3.33Å; S240-S323 PolarHBondContact OG-O 3.48Å; S240-S323 PolarHBondContact OG-OG 3.24Å; N244-S323 PolarHBondContact ND2-OG 3.27Å; N244-S323 PolarHBondContact OD1-OG 2.76Å; I247-S323 WeakPolarHBondContact CD1-OG 3.28Å; E319-S323 VanDerWaalsContact O-CB 3.24Å; E319-S323 WeakPolarHBondContact O-CB 3.29Å; E319-S323 PolarHBondContact O-N 3.02Å; L320-S323 CarbonylContact O-C 3.51Å; L320-S323 PolarHBondContact O-N 3.29Å; S323-S326 PolarHBondContact O-OG 2.85Å; S323-Y327 WeakPolarHBondContact O-CD2 3.3Å; S323-Y327 WeakPolarHBondContact O-CE2 3.43Å |
| 324 | I | 92 | Very high | 91.1 | Very high | 21 Ų | 21 | 54.3 Ų | 54.3 | 11% | 0.108 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -89.6 | -41.4 | 169.2 | -72.7 | 163.9 | 0 | 0 | 0 | 110.1 | L237 I297 I301 L320 I321 H322 S326 Y327 | L237-I324 HydrophobicContact CB-CD1 4.16Å; L237-I324 HydrophobicContact CD1-CD1 4.06Å; I297-I324 HydrophobicContact CD1-CG2 4.46Å; I301-I324 HydrophobicContact CD1-CD1 3.88Å; L320-I324 WeakPolarHBondContact O-CD1 3.36Å; L320-I324 VanDerWaalsContact O-CG1 3.27Å; L320-I324 WeakPolarHBondContact O-CG1 3.24Å; L320-I324 PolarHBondContact O-N 3.4Å; I321-I324 PolarHBondContact O-N 3.05Å; I321-I324 VanDerWaalsContact O-N 3.12Å; H322-I324 PolarHBondContact O-N 3.39Å; I324-S326 VanDerWaalsContact C-N 3.27Å; I324-S326 PolarHBondContact O-N 3.27Å; I324-Y327 PolarHBondContact O-N 3.02Å |
| 325 | Q | 89.1 | Confident | 91.2 | Very high | 88 Ų | 88 | 51.7 Ų | 51.7 | 41% | 0.411 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.9 | -28.6 | 176.5 | -73.2 | 170.2 | -20.7 | 0 | 0 | 112.8 | I321 H322 Y327 H328 | I321-Q325 HydrophobicContact CG2-CG 4.37Å; I321-Q325 WeakPolarHBondContact O-CG 3.49Å; I321-Q325 PolarHBondContact O-N 3.06Å; H322-Q325 PolarHBondContact O-N 3.33Å; H322-Q325 VanDerWaalsContact O-N 3.16Å; Q325-Y327 PolarHBondContact O-N 3.31Å; Q325-Y327 VanDerWaalsContact O-N 3.12Å; Q325-H328 WeakPolarHBondContact O-CB 3.44Å; Q325-H328 PolarHBondContact O-N 2.91Å |
| 326 | S | 87.7 | Confident | 91.1 | Very high | 19 Ų | 19 | 47.5 Ų | 47.5 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -5.2 | 174.8 | 64.5 | 0 | 0 | 0 | 0 | 115.1 | Q152 Y246 H322 S323 I324 | Q152-S326 VanDerWaalsContact CD-O 3.29Å; Q152-S326 WeakPolarHBondContact CG-O 3.28Å; Q152-S326 PolarHBondContact NE2-O 2.9Å; Y246-S326 WeakPolarHBondContact CD2-OG 3.49Å; Y246-S326 VanDerWaalsContact CE2-OG 3.28Å; Y246-S326 WeakPolarHBondContact CE2-OG 3.37Å; Y246-S326 VanDerWaalsContact CZ-CB 3.46Å; H322-S326 PolarHBondContact O-N 2.76Å; S323-S326 PolarHBondContact O-OG 2.85Å; I324-S326 VanDerWaalsContact C-N 3.27Å; I324-S326 PolarHBondContact O-N 3.27Å |
| 327 | Y | 90.2 | Very high | 91 | Very high | 18 Ų | 18 | 48.6 Ų | 48.6 | 7% | 0.071 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 10.7 | 168 | -61.6 | -89.1 | 0 | 0 | 0 | 113.2 | D171 I174 S236 A239 N244 S323 I324 Q325 | D171-Y327 HydrophobicContact CB-CE1 3.89Å; D171-Y327 VanDerWaalsContact OD1-CE1 3.29Å; D171-Y327 WeakPolarHBondContact OD1-CE1 3.26Å; D171-Y327 PolarHBondContact OD1-OH 3.36Å; I174-Y327 HydrophobicContact CB-CD1 4.25Å; I174-Y327 HydrophobicContact CB-CE1 4.04Å; I174-Y327 HydrophobicContact CG2-CD1 3.69Å; I174-Y327 HydrophobicContact CG2-CE1 3.73Å; I174-Y327 HydrophobicContact CG2-CG 4.24Å; S236-Y327 WeakPolarHBondContact OG-CB 3.29Å; A239-Y327 HydrophobicContact CB-CE1 4.49Å; A239-Y327 HydrophobicContact CB-CE2 4.07Å; A239-Y327 WeakPolarHBondContact CB-OH 2.98Å; N244-Y327 WeakPolarHBondContact CB-OH 3.26Å; N244-Y327 PolarHBondContact ND2-OH 3.01Å; S323-Y327 WeakPolarHBondContact O-CD2 3.3Å; S323-Y327 WeakPolarHBondContact O-CE2 3.43Å; I324-Y327 PolarHBondContact O-N 3.02Å; Q325-Y327 PolarHBondContact O-N 3.31Å; Q325-Y327 VanDerWaalsContact O-N 3.12Å |
| 328 | H | 89.3 | Confident | 91 | Very high | 134 Ų | 134 | 44.4 Ų | 44.4 | 62% | 0.62 | 23% | 0.229 | S | C | * | . | trans | -76.6 | 143.1 | 173.4 | -176 | 67.2 | 0 | 0 | 0 | 111 | Q325 | Q325-H328 WeakPolarHBondContact O-CB 3.44Å; Q325-H328 PolarHBondContact O-N 2.91Å | ||
| 329 | T | 90.1 | Very high | 91.1 | Very high | 35 Ų | 35 | 42.7 Ų | 42.7 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | trans | -127.9 | 144.1 | -176.8 | 48.8 | 0 | 0 | 0 | 0 | 110.1 | Q152 I155 S156 | Q152-T329 HydrophobicContact CB-CG2 4.21Å; Q152-T329 VanDerWaalsContact OE1-CG2 3.29Å; I155-T329 HydrophobicContact CB-CG2 3.98Å; I155-T329 HydrophobicContact CG2-CG2 3.69Å; S156-T329 WeakPolarHBondContact OG-CB 3.22Å | ||
| 330 | N | 90.8 | Very high | 91 | Very high | 71 Ų | 71 | 46.3 Ų | 46.3 | 38% | 0.38 | 23% | 0.234 | S | C | . | . | trans | -134.4 | 80.7 | 179.4 | -166.9 | -30.5 | 0 | 0 | 0 | 110.2 | S156 E332 V333 V334 | S156-N330 PolarHBondContact OG-N 3.48Å; S156-N330 VanDerWaalsContact OG-N 3.14Å; N330-E332 PolarHBondContact O-N 3.49Å; N330-V333 HydrophobicContact CB-CB 4.28Å; N330-V333 WeakPolarHBondContact ND2-CG2 3.44Å; N330-V333 PolarHBondContact O-N 3.38Å; N330-V333 WeakPolarHBondContact OD1-CB 3.43Å; N330-V333 VanDerWaalsContact OD1-CG2 3.31Å; N330-V333 WeakPolarHBondContact OD1-CG2 3.34Å; N330-V333 PolarHBondContact OD1-N 3.29Å; N330-V334 WeakPolarHBondContact O-CG2 3.43Å; N330-V334 PolarHBondContact O-N 3.05Å | ||
| 331 | P | 92.9 | Very high | 90.8 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 16% | 0.156 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -51.6 | -47.2 | -172.7 | -28.7 | 36.1 | 0 | 0 | 0 | 114.2 | S156 I159 H160 Y335 | S156-P331 WeakPolarHBondContact O-CB 3.5Å; I159-P331 HydrophobicContact CB-CB 4.23Å; I159-P331 HydrophobicContact CB-CG 3.8Å; I159-P331 HydrophobicContact CD1-CG 4.15Å; I159-P331 HydrophobicContact CG2-CB 3.96Å; I159-P331 HydrophobicContact CG2-CG 3.46Å; I159-P331 VanDerWaalsContact CG2-CG 3.46Å; H160-P331 HydrophobicContact CB-CB 4.01Å; P331-Y335 VanDerWaalsContact O-CB 3.26Å; P331-Y335 WeakPolarHBondContact O-CB 3.47Å; P331-Y335 PolarHBondContact O-N 3.11Å |
| 332 | E | 92.8 | Very high | 90.8 | Very high | 114 Ų | 114 | 46.1 Ų | 46.1 | 53% | 0.533 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.8 | -42.9 | -176.2 | -55 | -48.4 | 113.4 | 0 | 0 | 112.4 | H160 N330 S336 | H160-E332 IonicContact CE1-OE1 2.93Å; H160-E332 IonicContact CE1-OE2 2.74Å; H160-E332 PolarHBondContact CE1-OE2 3.09Å; H160-E332 IonicContact CG-OE1 2.67Å; H160-E332 VanDerWaalsContact ND1-CD 3.31Å; H160-E332 IonicContact ND1-OE1 3.98Å; H160-E332 PolarHBondContact ND1-OE1 3.4Å; H160-E332 IonicContact ND1-OE2 3.98Å; H160-E332 PolarHBondContact ND1-OE2 3.25Å; N330-E332 PolarHBondContact O-N 3.49Å; E332-S336 VanDerWaalsContact O-CB 3.26Å; E332-S336 WeakPolarHBondContact O-CB 3.33Å; E332-S336 PolarHBondContact O-N 2.96Å; E332-S336 PolarHBondContact O-OG 3.05Å; E332-S336 VanDerWaalsContact O-OG 3.12Å |
| 333 | V | 91.4 | Very high | 90.7 | Very high | 64 Ų | 64 | 48.3 Ų | 48.3 | 39% | 0.388 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.6 | -46.7 | 177.9 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | N330 S336 I337 | N330-V333 HydrophobicContact CB-CB 4.28Å; N330-V333 WeakPolarHBondContact ND2-CG2 3.44Å; N330-V333 PolarHBondContact O-N 3.38Å; N330-V333 WeakPolarHBondContact OD1-CB 3.43Å; N330-V333 VanDerWaalsContact OD1-CG2 3.31Å; N330-V333 WeakPolarHBondContact OD1-CG2 3.34Å; N330-V333 PolarHBondContact OD1-N 3.29Å; V333-S336 PolarHBondContact O-N 2.98Å; V333-S336 PolarHBondContact O-OG 2.66Å; V333-I337 HydrophobicContact CG1-CD1 3.94Å; V333-I337 VanDerWaalsContact O-CG1 3.3Å; V333-I337 WeakPolarHBondContact O-CG1 3.49Å; V333-I337 PolarHBondContact O-N 3.4Å |
| 334 | V | 92.4 | Very high | 90.3 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 179.2 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | D153 L157 N330 I337 F338 | D153-V334 HydrophobicContact CB-CG1 4.14Å; D153-V334 WeakPolarHBondContact OD1-CG2 3.35Å; L157-V334 HydrophobicContact CD2-CG1 4.27Å; L157-V334 HydrophobicContact CG-CG1 4.14Å; N330-V334 WeakPolarHBondContact O-CG2 3.43Å; N330-V334 PolarHBondContact O-N 3.05Å; V334-I337 PolarHBondContact O-N 3.27Å; V334-F338 HydrophobicContact CG1-CD2 3.64Å; V334-F338 HydrophobicContact CG1-CE2 3.67Å; V334-F338 HydrophobicContact CG1-CG 4.4Å; V334-F338 HydrophobicContact CG1-CZ 4.4Å; V334-F338 WeakPolarHBondContact O-CB 3.49Å; V334-F338 PolarHBondContact O-N 3.36Å |
| 335 | Y | 93.6 | Very high | 89.7 | Confident | 25 Ų | 25 | 49.3 Ų | 49.3 | 10% | 0.098 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 176.9 | 178.6 | -94.3 | 0 | 0 | 0 | 112.2 | L157 H160 L161 P331 I337 F338 M339 L345 | L157-Y335 HydrophobicContact CD2-CD2 4.49Å; H160-Y335 AromaticContact CD2-CD1 3.9Å; H160-Y335 AromaticContact CD2-CD2 3.26Å; H160-Y335 WeakPolarHBondContact CD2-CD2 3.49Å; H160-Y335 AromaticContact CD2-CE2 3.61Å; H160-Y335 AromaticContact CD2-CG 3.4Å; H160-Y335 VanDerWaalsContact CD2-CG 3.4Å; H160-Y335 AromaticContact CE1-CD1 3.78Å; H160-Y335 AromaticContact CE1-CG 3.91Å; H160-Y335 AromaticContact CG-CD2 3.97Å; H160-Y335 AromaticContact CG-CG 3.83Å; H160-Y335 AromaticContact NE2-CD1 3.44Å; H160-Y335 WeakPolarHBondContact NE2-CD1 3.48Å; H160-Y335 AromaticContact NE2-CD2 3.67Å; H160-Y335 AromaticContact NE2-CE1 3.58Å; H160-Y335 AromaticContact NE2-CE2 3.77Å; H160-Y335 AromaticContact NE2-CG 3.49Å; H160-Y335 AromaticContact NE2-CZ 3.73Å; L161-Y335 HydrophobicContact CD2-CD2 4.44Å; L161-Y335 HydrophobicContact CD2-CE2 4.01Å; P331-Y335 VanDerWaalsContact O-CB 3.26Å; P331-Y335 WeakPolarHBondContact O-CB 3.47Å; P331-Y335 PolarHBondContact O-N 3.11Å; Y335-I337 PolarHBondContact O-N 3.27Å; Y335-F338 PolarHBondContact O-N 2.76Å; Y335-M339 HydrophobicContact CD1-SD 4.21Å; Y335-M339 HydrophobicContact CE1-CB 4.2Å; Y335-M339 HydrophobicContact CE1-CG 4.46Å; Y335-M339 HydrophobicContact CE1-SD 3.76Å; Y335-M339 HydrophobicContact CE2-CB 4.49Å; Y335-M339 WeakPolarHBondContact O-CB 3.38Å; Y335-M339 WeakPolarHBondContact O-CG 3.48Å; Y335-M339 PolarHBondContact O-N 3.47Å; Y335-L345 HydrophobicContact CD2-CD1 4.38Å; Y335-L345 HydrophobicContact CE2-CD1 3.92Å |
| 336 | S | 91.3 | Very high | 88.9 | Confident | 51 Ų | 51 | 49.5 Ų | 49.5 | 36% | 0.357 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.7 | -22.1 | -178.2 | 71.4 | 0 | 0 | 0 | 0 | 114.4 | E332 V333 K340 | E332-S336 VanDerWaalsContact O-CB 3.26Å; E332-S336 WeakPolarHBondContact O-CB 3.33Å; E332-S336 PolarHBondContact O-N 2.96Å; E332-S336 PolarHBondContact O-OG 3.05Å; E332-S336 VanDerWaalsContact O-OG 3.12Å; V333-S336 PolarHBondContact O-N 2.98Å; V333-S336 PolarHBondContact O-OG 2.66Å; S336-K340 WeakPolarHBondContact O-CE 3.26Å; S336-K340 PolarHBondContact O-NZ 2.98Å |
| 337 | I | 90.5 | Very high | 87.4 | Confident | 38 Ų | 38 | 54.3 Ų | 54.3 | 20% | 0.195 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -80.8 | -54.4 | 170 | -62.1 | 165.9 | 0 | 0 | 0 | 109.3 | V333 V334 Y335 K340 H341 K456 | V333-I337 HydrophobicContact CG1-CD1 3.94Å; V333-I337 VanDerWaalsContact O-CG1 3.3Å; V333-I337 WeakPolarHBondContact O-CG1 3.49Å; V333-I337 PolarHBondContact O-N 3.4Å; V334-I337 PolarHBondContact O-N 3.27Å; Y335-I337 PolarHBondContact O-N 3.27Å; I337-K340 WeakPolarHBondContact O-CB 3.5Å; I337-K340 PolarHBondContact O-N 2.81Å; I337-H341 PolarHBondContact O-CD2 2.93Å; I337-K456 HydrophobicContact CD1-CD 4.23Å |
| 338 | F | 93.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -75.2 | -27.1 | -169.6 | -69.4 | -9.4 | 0 | 0 | 0 | 115.3 | V76 V144 D153 L157 V334 Y335 K340 H341 L342 | V76-F338 HydrophobicContact CG1-CE2 4.23Å; V144-F338 HydrophobicContact CB-CG 4.48Å; V144-F338 HydrophobicContact CG1-CB 4.39Å; V144-F338 HydrophobicContact CG1-CD1 4.31Å; V144-F338 HydrophobicContact CG1-CD2 3.59Å; V144-F338 HydrophobicContact CG1-CE1 4.47Å; V144-F338 HydrophobicContact CG1-CE2 3.73Å; V144-F338 HydrophobicContact CG1-CG 3.88Å; V144-F338 HydrophobicContact CG1-CZ 4.19Å; V144-F338 HydrophobicContact CG2-CB 4.41Å; V144-F338 HydrophobicContact CG2-CD1 3.58Å; V144-F338 HydrophobicContact CG2-CD2 4.39Å; V144-F338 HydrophobicContact CG2-CE1 3.82Å; V144-F338 HydrophobicContact CG2-CG 3.9Å; V144-F338 HydrophobicContact CG2-CZ 4.3Å; D153-F338 HydrophobicContact CB-CE2 3.91Å; D153-F338 HydrophobicContact CB-CZ 4.21Å; D153-F338 WeakPolarHBondContact OD2-CZ 3.41Å; L157-F338 HydrophobicContact CD1-CD2 3.92Å; L157-F338 HydrophobicContact CD1-CE2 4.48Å; L157-F338 HydrophobicContact CD2-CB 4.47Å; L157-F338 HydrophobicContact CD2-CD2 4.14Å; L157-F338 HydrophobicContact CG-CD2 4.06Å; V334-F338 HydrophobicContact CG1-CD2 3.64Å; V334-F338 HydrophobicContact CG1-CE2 3.67Å; V334-F338 HydrophobicContact CG1-CG 4.4Å; V334-F338 HydrophobicContact CG1-CZ 4.4Å; V334-F338 WeakPolarHBondContact O-CB 3.49Å; V334-F338 PolarHBondContact O-N 3.36Å; Y335-F338 PolarHBondContact O-N 2.76Å; F338-K340 PolarHBondContact O-N 3.39Å; F338-H341 PolarHBondContact O-N 2.94Å; F338-L342 HydrophobicContact CB-CD1 3.99Å; F338-L342 WeakPolarHBondContact O-CG 3.43Å; F338-L342 PolarHBondContact O-N 3.14Å |
| 339 | M | 92.1 | Very high | 83.7 | Confident | 49 Ų | 49 | 54 Ų | 54 | 24% | 0.241 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.4 | 175.1 | 69.5 | 173.9 | -69.3 | 0 | 0 | 113.2 | Y335 H341 K346 | Y335-M339 HydrophobicContact CD1-SD 4.21Å; Y335-M339 HydrophobicContact CE1-CB 4.2Å; Y335-M339 HydrophobicContact CE1-CG 4.46Å; Y335-M339 HydrophobicContact CE1-SD 3.76Å; Y335-M339 HydrophobicContact CE2-CB 4.49Å; Y335-M339 WeakPolarHBondContact O-CB 3.38Å; Y335-M339 WeakPolarHBondContact O-CG 3.48Å; Y335-M339 PolarHBondContact O-N 3.47Å; M339-H341 VanDerWaalsContact C-N 3.28Å; M339-H341 PolarHBondContact O-N 3.25Å; M339-K346 WeakPolarHBondContact O-CE 3.47Å; M339-K346 WeakPolarHBondContact O-CG 3.05Å |
| 340 | K | 88.3 | Confident | 81.2 | Confident | 132 Ų | 132 | 59.7 Ų | 59.7 | 57% | 0.574 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -18 | 177.9 | -62.4 | 168.7 | -176.8 | 160.1 | 0 | 112.7 | S336 I337 F338 K346 | S336-K340 WeakPolarHBondContact O-CE 3.26Å; S336-K340 PolarHBondContact O-NZ 2.98Å; I337-K340 WeakPolarHBondContact O-CB 3.5Å; I337-K340 PolarHBondContact O-N 2.81Å; F338-K340 PolarHBondContact O-N 3.39Å; K340-K346 VanDerWaalsContact C-CE 3.42Å; K340-K346 WeakPolarHBondContact O-CE 3.29Å; K340-K346 PolarHBondContact O-NZ 3.24Å |
| 341 | H | 89.1 | Confident | 78.7 | Confident | 24 Ų | 24 | 62.6 Ų | 62.6 | 11% | 0.111 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -42.8 | -176.9 | -54.8 | -72.1 | 0 | 0 | 0 | 111.8 | V144 I337 F338 M339 N467 R470 | V144-H341 HydrophobicContact CG2-CB 4.35Å; I337-H341 PolarHBondContact O-CD2 2.93Å; F338-H341 PolarHBondContact O-N 2.94Å; M339-H341 VanDerWaalsContact C-N 3.28Å; M339-H341 PolarHBondContact O-N 3.25Å; H341-N467 PolarHBondContact CE1-OD1 3.41Å; H341-N467 PolarHBondContact ND1-OD1 3.1Å; H341-R470 HydrophobicContact CB-CB 4.44Å |
| 342 | L | 91 | Very high | 76.1 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | trans | -66.3 | 128.1 | 178.5 | -61.9 | 170.7 | 0 | 0 | 0 | 111.5 | I74 D142 V144 L157 F338 L345 K346 | I74-L342 HydrophobicContact CG2-CD1 4.04Å; I74-L342 HydrophobicContact CG2-CD2 3.76Å; D142-L342 HydrophobicContact CB-CD2 3.96Å; V144-L342 HydrophobicContact CB-CD2 3.96Å; V144-L342 HydrophobicContact CB-CG 4.36Å; V144-L342 HydrophobicContact CG1-CD1 4.4Å; V144-L342 HydrophobicContact CG1-CD2 4.12Å; V144-L342 HydrophobicContact CG1-CG 4.45Å; L157-L342 HydrophobicContact CD1-CD1 4.45Å; F338-L342 HydrophobicContact CB-CD1 3.99Å; F338-L342 WeakPolarHBondContact O-CG 3.43Å; F338-L342 PolarHBondContact O-N 3.14Å; L342-L345 HydrophobicContact CB-CB 4.43Å; L342-L345 HydrophobicContact CB-CD1 3.98Å; L342-L345 HydrophobicContact CB-CG 4.1Å; L342-L345 HydrophobicContact CD1-CD1 3.51Å; L342-L345 HydrophobicContact CD1-CG 4.41Å; L342-L345 HydrophobicContact CG-CD1 4.38Å; L342-K346 WeakPolarHBondContact O-CE 3.43Å; L342-K346 WeakPolarHBondContact O-CG 3.36Å | ||
| 343 | K | 86.5 | Confident | 73.3 | Confident | 99 Ų | 99 | 70.5 Ų | 70.5 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -75.3 | -43.6 | -172.7 | -61.3 | 171.3 | 179.9 | 169.8 | 0 | 112.3 | N140 D142 L345 K346 | N140-K343 PolarHBondContact OD1-NZ 3.11Å; D142-K343 VanDerWaalsContact CG-N 3.29Å; D142-K343 VanDerWaalsContact OD1-CB 3.29Å; D142-K343 WeakPolarHBondContact OD1-CB 3.1Å; D142-K343 PolarHBondContact OD1-N 2.78Å; D142-K343 PolarHBondContact OD2-N 3.32Å; D142-K343 VanDerWaalsContact OD2-N 3.09Å; K343-L345 VanDerWaalsContact C-N 3.31Å; K343-L345 PolarHBondContact O-N 3.18Å; K343-K346 PolarHBondContact O-N 3.09Å |
| 344 | S | 81.9 | Confident | 70.4 | Confident | 38 Ų | 38 | 75.1 Ų | 75.1 | 27% | 0.266 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64 | -34.4 | -177.2 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | D142 | D142-S344 WeakPolarHBondContact OD2-CB 3.49Å; D142-S344 PolarHBondContact OD2-N 2.74Å; D142-S344 PolarHBondContact OD2-OG 2.95Å |
| 345 | L | 79.4 | Confident | 67.6 | Low | 5 Ų | 5 | 83.6 Ų | 83.6 | 3% | 0.026 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -75.8 | -23.5 | -176.1 | -57.2 | -175.3 | 0 | 0 | 0 | 113.7 | I74 L161 Y335 L342 K343 N347 I348 | I74-L345 HydrophobicContact CD1-CD2 4.32Å; L161-L345 HydrophobicContact CD1-CD1 4.39Å; L161-L345 HydrophobicContact CD1-CD2 4.39Å; L161-L345 HydrophobicContact CD2-CD2 3.96Å; Y335-L345 HydrophobicContact CD2-CD1 4.38Å; Y335-L345 HydrophobicContact CE2-CD1 3.92Å; L342-L345 HydrophobicContact CB-CB 4.43Å; L342-L345 HydrophobicContact CB-CD1 3.98Å; L342-L345 HydrophobicContact CB-CG 4.1Å; L342-L345 HydrophobicContact CD1-CD1 3.51Å; L342-L345 HydrophobicContact CD1-CG 4.41Å; L342-L345 HydrophobicContact CG-CD1 4.38Å; K343-L345 VanDerWaalsContact C-N 3.31Å; K343-L345 PolarHBondContact O-N 3.18Å; L345-N347 VanDerWaalsContact C-N 3.32Å; L345-N347 PolarHBondContact O-N 3.08Å; L345-I348 HydrophobicContact CD2-CD1 4.03Å; L345-I348 PolarHBondContact O-N 3.38Å |
| 346 | K | 71.3 | Confident | 64.7 | Low | 92 Ų | 92 | 89.3 Ų | 89.3 | 40% | 0.4 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.1 | -35.7 | -179 | -72.2 | 170.6 | -177.2 | 178.2 | 0 | 112.9 | M339 K340 L342 K343 S349 | M339-K346 WeakPolarHBondContact O-CE 3.47Å; M339-K346 WeakPolarHBondContact O-CG 3.05Å; K340-K346 VanDerWaalsContact C-CE 3.42Å; K340-K346 WeakPolarHBondContact O-CE 3.29Å; K340-K346 PolarHBondContact O-NZ 3.24Å; L342-K346 WeakPolarHBondContact O-CE 3.43Å; L342-K346 WeakPolarHBondContact O-CG 3.36Å; K343-K346 PolarHBondContact O-N 3.09Å; K346-S349 PolarHBondContact O-OG 3.41Å |
| 347 | N | 56.7 | Low | 61.9 | Low | 119 Ų | 119 | 94.4 Ų | 94.4 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -73.5 | -37.3 | -179.1 | -62.8 | 7.1 | 0 | 0 | 0 | 110.9 | L345 S349 M350 | L345-N347 VanDerWaalsContact C-N 3.32Å; L345-N347 PolarHBondContact O-N 3.08Å; N347-S349 PolarHBondContact O-N 2.99Å; N347-S349 VanDerWaalsContact O-N 3.09Å; N347-M350 PolarHBondContact O-N 3.1Å |
| 348 | I | 56.5 | Low | 59.1 | Low | 85 Ų | 85 | 96.1 Ų | 96.1 | 44% | 0.436 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.7 | -23.7 | -178.6 | -57.1 | 175.1 | 0 | 0 | 0 | 112.2 | L345 M350 | L345-I348 HydrophobicContact CD2-CD1 4.03Å; L345-I348 PolarHBondContact O-N 3.38Å; I348-M350 VanDerWaalsContact C-N 3.3Å; I348-M350 PolarHBondContact O-N 2.57Å |
| 349 | S | 46.4 | Very low | 56.1 | Low | 62 Ų | 62 | 105.4 Ų | 105.4 | 43% | 0.434 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -4.3 | 176.2 | 41.3 | 0 | 0 | 0 | 0 | 115.9 | K346 N347 | K346-S349 PolarHBondContact O-OG 3.41Å; N347-S349 PolarHBondContact O-N 2.99Å; N347-S349 VanDerWaalsContact O-N 3.09Å |
| 350 | M | 37.4 | Very low | 53.2 | Low | 153 Ų | 153 | 108 Ų | 108 | 75% | 0.754 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -22.9 | 178.1 | -55.8 | -155.8 | 82.8 | 0 | 0 | 114.4 | N347 I348 | N347-M350 PolarHBondContact O-N 3.1Å; I348-M350 VanDerWaalsContact C-N 3.3Å; I348-M350 PolarHBondContact O-N 2.57Å |
| 351 | D | 37.4 | Very low | 50.5 | Low | 133 Ų | 133 | 109.5 Ų | 109.5 | 71% | 0.711 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -90.9 | 6.7 | -175 | -63.1 | -27.7 | 0 | 0 | 0 | 114.4 | N353 | D351-N353 PolarHBondContact O-N 2.74Š|
| 352 | K | 38.2 | Very low | 47.6 | Very low | 155 Ų | 155 | 114.7 Ų | 114.7 | 67% | 0.674 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 23.2 | -175.6 | -74.1 | -167.9 | 176.5 | -177.7 | 0 | 115.5 | ||
| 353 | N | 33.6 | Very low | 44.7 | Very low | 149 Ų | 149 | 121.4 Ų | 121.4 | 80% | 0.797 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -11.6 | -178.2 | -77.5 | -8.5 | 0 | 0 | 0 | 114.8 | D351 E355 | D351-N353 PolarHBondContact O-N 2.74Å; N353-E355 PolarHBondContact O-N 2.89Å |
| 354 | D | 32.4 | Very low | 41.9 | Very low | 160 Ų | 160 | 121.6 Ų | 121.6 | 86% | 0.856 | 68% | 0.676 | S | S | * | * | trans | -92.8 | 92.1 | 177 | -76.5 | -34.9 | 0 | 0 | 0 | 111.8 | N356 | D354-N356 PolarHBondContact O-N 2.99Š| ||
| 355 | E | 32.4 | Very low | 39.5 | Very low | 186 Ų | 186 | 128.1 Ų | 128.1 | 87% | 0.869 | 71% | 0.707 | S | S | * | * | trans | -70.4 | 105.1 | 160 | -68.5 | -170.2 | 142.6 | 0 | 0 | 109.7 | N353 | N353-E355 PolarHBondContact O-N 2.89Š| ||
| 356 | N | 33.6 | Very low | 37 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | -163.6 | 110.4 | 150.2 | -106.6 | -62.1 | 0 | 0 | 0 | 114.5 | D354 | D354-N356 PolarHBondContact O-N 2.99Š| ||
| 357 | I | 31.7 | Very low | 35.2 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | trans | 33.6 | 117.3 | 135.5 | -52.3 | 175.6 | 0 | 0 | 0 | 118.1 | ||||
| 358 | G | 32.1 | Very low | 34.1 | Very low | 74 Ų | 74 | 133.4 Ų | 133.4 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | trans | -169.4 | 78 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 359 | E | 29.3 | Very low | 32.9 | Very low | 196 Ų | 196 | 135.3 Ų | 135.3 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | -79.7 | 118.4 | 175.5 | -66.5 | -175.7 | 115.3 | 0 | 0 | 112 | ||||
| 360 | S | 31.9 | Very low | 32.2 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -159.9 | 100.6 | 159.3 | 61.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 361 | D | 32.1 | Very low | 31.8 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | 152.7 | 85.5 | 134.8 | -80.6 | 1.6 | 0 | 0 | 0 | 111.9 | ||||
| 362 | T | 27.9 | Very low | 31.5 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -93.6 | 127.3 | 176.4 | 53.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 363 | C | 30.5 | Very low | 31.1 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 95% | 0.953 | 82% | 0.82 | S | S | * | * | trans | -113.2 | 106.7 | 154.5 | -84.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 364 | S | 27 | Very low | 31.1 | Very low | 103 Ų | 103 | 129.5 Ų | 129.5 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | -94.7 | 138.6 | -169.9 | 53.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 365 | I | 32.2 | Very low | 30.9 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 90% | 0.903 | 82% | 0.817 | S | S | * | * | trans | -133.5 | 136.5 | 153.6 | -62.4 | -177.1 | 0 | 0 | 0 | 107.3 | ||||
| 366 | S | 26.8 | Very low | 30.9 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | -128.2 | 123 | -164.7 | 47.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 367 | S | 33.5 | Very low | 30.7 | Very low | 113 Ų | 113 | 122 Ų | 122 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -174.4 | 143.9 | 158.6 | 47 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 368 | S | 33.1 | Very low | 30.8 | Very low | 101 Ų | 101 | 119.2 Ų | 119.2 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | cis | 173.9 | 115 | -29.3 | 42 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 369 | S | 31.4 | Very low | 30.6 | Very low | 126 Ų | 126 | 120.5 Ų | 120.5 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | trans | 59 | 126.1 | 154 | 59.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 370 | G | 31.2 | Very low | 30.7 | Very low | 86 Ų | 86 | 115.6 Ų | 115.6 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | 108.9 | 126.9 | 148.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 371 | G | 30.6 | Very low | 30.5 | Very low | 64 Ų | 64 | 116.1 Ų | 116.1 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | cis | 173 | 170.1 | -8.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 372 | T | 31 | Very low | 30.4 | Very low | 154 Ų | 154 | 113.6 Ų | 113.6 | 95% | 0.945 | 79% | 0.789 | S | S | * | * | trans | 67.4 | 161.9 | 170.6 | 58.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 373 | S | 29.1 | Very low | 30.3 | Very low | 114 Ų | 114 | 112.8 Ų | 112.8 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -158.9 | 142.9 | -151.7 | 55.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 374 | S | 33.2 | Very low | 30.3 | Very low | 112 Ų | 112 | 112.1 Ų | 112.1 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -173 | 140.4 | 153.2 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 375 | S | 28.6 | Very low | 30.2 | Very low | 115 Ų | 115 | 112.9 Ų | 112.9 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | cis | 113.8 | 74 | 3.3 | 79.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 376 | S | 33.1 | Very low | 30 | Very low | 105 Ų | 105 | 110.2 Ų | 110.2 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -167.9 | 127.7 | 155.8 | 50.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 377 | S | 29.1 | Very low | 29.8 | Very low | 111 Ų | 111 | 110.8 Ų | 110.8 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | 64.6 | 129.1 | 52.6 | 80.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 378 | S | 32.7 | Very low | 29.5 | Very low | 101 Ų | 101 | 111.1 Ų | 111.1 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | cis | -166.7 | 172 | 7.7 | 50.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 379 | S | 29.6 | Very low | 29 | Very low | 101 Ų | 101 | 110.7 Ų | 110.7 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 52.1 | 144.1 | 141.5 | 59.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 380 | S | 31 | Very low | 28.9 | Very low | 94 Ų | 94 | 114.7 Ų | 114.7 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | cis | 175.9 | 154.9 | -4.5 | 46.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 381 | S | 27.6 | Very low | 28.6 | Very low | 114 Ų | 114 | 117 Ų | 117 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | 60.4 | 158 | 155.3 | 52.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 382 | S | 29.2 | Very low | 28.3 | Very low | 111 Ų | 111 | 119.8 Ų | 119.8 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | cis | -152.7 | 163.3 | 3.5 | 31.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 383 | S | 26.6 | Very low | 28.1 | Very low | 114 Ų | 114 | 119.6 Ų | 119.6 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -57 | 151.3 | 171.3 | 53.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 384 | S | 29.2 | Very low | 27.9 | Very low | 127 Ų | 127 | 119.8 Ų | 119.8 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -158.1 | 156 | 132.9 | 53.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 385 | S | 24.6 | Very low | 27.6 | Very low | 120 Ų | 120 | 118.3 Ų | 118.3 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | -125.6 | 148.4 | -175.2 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 386 | S | 28 | Very low | 27.4 | Very low | 120 Ų | 120 | 119.3 Ų | 119.3 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | -155.8 | 127.6 | 170.1 | 56.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 387 | S | 23.5 | Very low | 27 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -107.3 | 146.7 | 178.8 | -48.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 388 | T | 27.7 | Very low | 26.8 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -143.9 | 145.2 | 169.1 | -41.6 | 0 | 0 | 0 | 0 | 110.2 | Y390 | T388-Y390 HydrophobicContact CG2-CE2 3.83Š| ||
| 389 | S | 22.3 | Very low | 26.3 | Very low | 92 Ų | 92 | 127.1 Ų | 127.1 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | trans | -143.8 | 137.5 | -171.2 | 56 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 390 | Y | 28.2 | Very low | 26.1 | Very low | 211 Ų | 211 | 130.9 Ų | 130.9 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -145.5 | 125.1 | 167.1 | -54.9 | -79.7 | 0 | 0 | 0 | 106.6 | T388 | T388-Y390 HydrophobicContact CG2-CE2 3.83Š| ||
| 391 | I | 24.8 | Very low | 25.8 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | cis | 93.5 | 89.5 | 30.1 | -59.5 | -179.2 | 0 | 0 | 0 | 114.2 | ||||
| 392 | T | 25.4 | Very low | 25.7 | Very low | 122 Ų | 122 | 129 Ų | 129 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | 62.6 | 153.5 | 149.5 | 65.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 393 | N | 26.8 | Very low | 25.5 | Very low | 150 Ų | 150 | 127 Ų | 127 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | cis | -157.8 | 178.4 | 34.9 | -138.2 | -19 | 0 | 0 | 0 | 114.1 | ||||
| 394 | S | 24.4 | Very low | 25.4 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | -89 | 158.4 | -167.7 | -47.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 395 | G | 27.8 | Very low | 25.2 | Very low | 81 Ų | 81 | 124.4 Ų | 124.4 | 84% | 0.835 | 72% | 0.722 | S | S | * | * | trans | -162.3 | 143.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 396 | T | 24.1 | Very low | 25.3 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 84% | 0.84 | 73% | 0.725 | S | S | * | * | trans | -119.4 | 166.4 | -156.5 | -4.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 397 | I | 23.7 | Very low | 25.2 | Very low | 134 Ų | 134 | 124 Ų | 124 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | trans | 100.5 | 121.8 | 144.2 | -82.1 | 160 | 0 | 0 | 0 | 122.1 | ||||
| 398 | Q | 24.8 | Very low | 25.2 | Very low | 168 Ų | 168 | 124.2 Ų | 124.2 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | 52.8 | 157.4 | 150.8 | -66.4 | 163.9 | -6 | 0 | 0 | 122.3 | ||||
| 399 | Q | 23.4 | Very low | 25.2 | Very low | 179 Ų | 179 | 124 Ų | 124 | 84% | 0.836 | 72% | 0.72 | S | S | * | * | cis | 149.8 | 122.8 | -35.6 | -96.9 | -163 | -5.2 | 0 | 0 | 112.3 | ||||
| 400 | Q | 25.2 | Very low | 25.3 | Very low | 180 Ų | 180 | 124.5 Ų | 124.5 | 84% | 0.841 | 72% | 0.724 | S | S | * | * | trans | 158.4 | 151.1 | 152 | -87.8 | 162 | 29.3 | 0 | 0 | 110.9 | ||||
| 401 | L | 23.7 | Very low | 25.4 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 59% | 0.586 | 73% | 0.728 | S | S | * | * | cis | 100.1 | 145.3 | 23.6 | -64.8 | 169.4 | 0 | 0 | 0 | 114.6 | P984 N987 | L401-P984 HydrophobicContact CD2-CB 4.32Å; L401-N987 PolarHBondContact O-ND2 3.26Å | ||
| 402 | S | 26 | Very low | 25.4 | Very low | 55 Ų | 55 | 127.2 Ų | 127.2 | 39% | 0.385 | 73% | 0.734 | S | S | . | * | cis | -136.5 | -146.3 | 18 | 66 | 0 | 0 | 0 | 0 | 116.5 | S985 E986 N987 | S402-S985 CarbonylContact O-C 3.59Å; S402-S985 WeakPolarHBondContact O-CB 3.28Å; S402-E986 CarbonylContact O-C 3.46Å; S402-E986 PolarHBondContact O-N 3.3Å; S402-E986 VanDerWaalsContact O-N 3.15Å; S402-N987 WeakPolarHBondContact CA-OD1 3.45Å; S402-N987 VanDerWaalsContact N-CG 3.28Å; S402-N987 PolarHBondContact N-ND2 3.42Å; S402-N987 PolarHBondContact N-OD1 2.93Å; S402-N987 WeakPolarHBondContact O-CA 3.19Å; S402-N987 WeakPolarHBondContact O-CB 3.24Å; S402-N987 PolarHBondContact O-N 2.89Å; S402-N987 PolarHBondContact O-OD1 3.5Å; S402-N987 PolarHBondContact OG-ND2 3.15Å; S402-N987 PolarHBondContact OG-OD1 3.44Å | ||
| 403 | S | 24.4 | Very low | 25.6 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 50% | 0.497 | 74% | 0.735 | S | S | . | * | trans | -132.4 | 128.1 | -134.9 | -23.1 | 0 | 0 | 0 | 0 | 123.9 | S985 E986 N987 | S403-S985 WeakPolarHBondContact CB-OG 3.38Å; S403-S985 WeakPolarHBondContact OG-CB 3.27Å; S403-S985 PolarHBondContact OG-OG 3.5Å; S403-E986 CarbonylContact C-O 3.55Å; S403-E986 WeakPolarHBondContact CA-O 3.24Å; S403-N987 PolarHBondContact N-OD1 2.83Å; S403-N987 VanDerWaalsContact N-OD1 3.14Å | ||
| 404 | S | 26.4 | Very low | 25.7 | Very low | 42 Ų | 42 | 129.8 Ų | 129.8 | 29% | 0.294 | 74% | 0.737 | S | S | . | * | trans | -180 | 119.1 | 154.6 | 54 | 0 | 0 | 0 | 0 | 114.4 | E986 V988 | S404-E986 VanDerWaalsContact C-OE2 3.27Å; S404-E986 PolarHBondContact N-O 3Å; S404-V988 WeakPolarHBondContact OG-CG2 3.36Å | ||
| 405 | N | 23.9 | Very low | 25.9 | Very low | 143 Ų | 143 | 133 Ų | 133 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | 58 | 120.7 | 71.2 | -69.4 | -51.5 | 0 | 0 | 0 | 119.5 | E986 | N405-E986 PolarHBondContact N-OE2 3.44Š| |||
| 406 | S | 27.3 | Very low | 25.9 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 90% | 0.895 | 73% | 0.728 | S | S | * | * | trans | -155.1 | 177 | 139.7 | 84.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 407 | S | 25.1 | Very low | 26.5 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | -159.7 | 139.7 | -141.1 | 56.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 408 | C | 24.4 | Very low | 27.3 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 86% | 0.858 | 69% | 0.693 | S | S | * | * | trans | 64.7 | 172.6 | 157.2 | -89.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 409 | P | 27.9 | Very low | 28 | Very low | 115 Ų | 115 | 128 Ų | 128 | 75% | 0.747 | 69% | 0.689 | S | S | * | * | cis | -127.8 | -177.1 | -4.9 | 33.5 | -13.1 | 0 | 0 | 0 | 115.9 | ||||
| 410 | S | 24.8 | Very low | 28.4 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | trans | -37 | 150.1 | 171.3 | 55.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 411 | E | 29.7 | Very low | 28.7 | Very low | 195 Ų | 195 | 119.9 Ų | 119.9 | 91% | 0.911 | 66% | 0.655 | S | S | * | * | trans | -142.4 | 171.8 | 144.9 | -137.8 | 163.3 | -142.6 | 0 | 0 | 111.5 | ||||
| 412 | Y | 24.8 | Very low | 29.1 | Very low | 207 Ų | 207 | 118.1 Ų | 118.1 | 81% | 0.812 | 65% | 0.646 | S | S | * | * | trans | -103.1 | 150.2 | -178.8 | -67.9 | -110.2 | 0 | 0 | 0 | 110.4 | ||||
| 413 | D | 30.1 | Very low | 29.1 | Very low | 144 Ų | 144 | 122.2 Ų | 122.2 | 77% | 0.77 | 66% | 0.662 | S | S | * | * | 161.5 | 157.6 | 120.1 | -87.2 | -23.2 | 0 | 0 | 0 | 116.3 | |||||
| 414 | E | 28.2 | Very low | 29.4 | Very low | 181 Ų | 181 | 123.8 Ų | 123.8 | 85% | 0.846 | 66% | 0.664 | S | S | * | * | trans | 54.9 | 164.8 | 156.2 | -69.8 | -170.8 | 178.2 | 0 | 0 | 122.5 | I416 | E414-I416 PolarHBondContact O-N 2.76Š| ||
| 415 | E | 27.5 | Very low | 29.5 | Very low | 186 Ų | 186 | 127.4 Ų | 127.4 | 87% | 0.869 | 68% | 0.68 | S | S | * | * | trans | -87.3 | 100.7 | -176.4 | -65.4 | -173.6 | 125.7 | 0 | 0 | 111 | ||||
| 416 | I | 29.6 | Very low | 29.7 | Very low | 120 Ų | 120 | 126 Ų | 126 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | trans | -66 | 135.8 | -177.4 | -59.5 | 177.2 | 0 | 0 | 0 | 111.7 | E414 Q420 | E414-I416 PolarHBondContact O-N 2.76Å; I416-Q420 HydrophobicContact CG2-CB 3.94Å | ||
| 417 | D | 36.2 | Very low | 29.7 | Very low | 50 Ų | 50 | 126.6 Ų | 126.6 | 27% | 0.267 | 67% | 0.666 | S | S | . | * | trans | -67 | 149.6 | -177.3 | -137.9 | -40.4 | 0 | 0 | 0 | 113.1 | K268 D419 Q420 | K268-D417 WeakPolarHBondContact CD-OD2 3.35Å; K268-D417 WeakPolarHBondContact CE-OD2 3.23Å; K268-D417 IonicContact NZ-OD2 2.67Å; K268-D417 PolarHBondContact NZ-OD2 2.93Å; D417-D419 PolarHBondContact O-N 3.04Å; D417-Q420 HydrophobicContact CB-CG 4.22Å; D417-Q420 PolarHBondContact O-N 2.77Å; D417-Q420 VanDerWaalsContact O-N 3.11Å | ||
| 418 | E | 39.8 | Very low | 30 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 52% | 0.523 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.4 | -17.2 | -177.9 | -69.9 | -165.5 | 119.5 | 0 | 0 | 113.4 | K91 | K91-E418 PolarHBondContact NZ-O 2.75Š|
| 419 | D | 39.1 | Very low | 30.3 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -3.1 | -177.4 | -69.6 | -31.6 | 0 | 0 | 0 | 114.5 | D417 | D417-D419 PolarHBondContact O-N 3.04Š|
| 420 | Q | 33.1 | Very low | 30.4 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | trans | -101.8 | 16.4 | -178.2 | -71.6 | -171.4 | -15.1 | 0 | 0 | 114.6 | I416 D417 | I416-Q420 HydrophobicContact CG2-CB 3.94Å; D417-Q420 HydrophobicContact CB-CG 4.22Å; D417-Q420 PolarHBondContact O-N 2.77Å; D417-Q420 VanDerWaalsContact O-N 3.11Å | ||
| 421 | V | 31.2 | Very low | 30.7 | Very low | 53 Ų | 53 | 134.7 Ų | 134.7 | 32% | 0.321 | 68% | 0.678 | S | S | . | * | trans | -88.2 | 125 | -174.1 | 176.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 422 | L | 31.1 | Very low | 30.6 | Very low | 76 Ų | 76 | 136.9 Ų | 136.9 | 40% | 0.398 | 68% | 0.678 | S | S | . | * | trans | 70.3 | 81 | -179.7 | -60.1 | 168.1 | 0 | 0 | 0 | 115.6 | V90 | V90-L422 HydrophobicContact CB-CD1 4.46Å; V90-L422 HydrophobicContact CG1-CD1 3.93Å; V90-L422 HydrophobicContact CG1-CD2 4.47Å | ||
| 423 | I | 27.3 | Very low | 30.8 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 72% | 0.718 | 68% | 0.683 | S | S | * | * | -71.1 | 132.9 | 123.3 | -59.3 | 179.5 | 0 | 0 | 0 | 105.7 | D425 | I423-D425 WeakPolarHBondContact CG2-OD1 3.47Š| |||
| 424 | I | 30.8 | Very low | 30.6 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 53% | 0.533 | 68% | 0.684 | S | S | . | * | trans | -92.4 | 112.4 | 159.8 | -64.4 | 174.5 | 0 | 0 | 0 | 103.9 | N426 | I424-N426 PolarHBondContact O-N 2.86Å; I424-N426 VanDerWaalsContact O-N 3.15Å | ||
| 425 | D | 27.8 | Very low | 30.7 | Very low | 118 Ų | 118 | 132 Ų | 132 | 63% | 0.631 | 68% | 0.683 | S | S | * | * | trans | -69.7 | 110.4 | 178 | -51.9 | -48.9 | 0 | 0 | 0 | 107.7 | I423 D427 | I423-D425 WeakPolarHBondContact CG2-OD1 3.47Å; D425-D427 PolarHBondContact O-N 2.93Å | ||
| 426 | N | 27.7 | Very low | 30.6 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 61% | 0.61 | 68% | 0.681 | S | S | * | * | trans | -78.1 | 42 | 174.4 | -77.1 | 11.6 | 0 | 0 | 0 | 111 | I424 D428 | I424-N426 PolarHBondContact O-N 2.86Å; I424-N426 VanDerWaalsContact O-N 3.15Å; N426-D428 VanDerWaalsContact C-N 3.25Å; N426-D428 PolarHBondContact O-N 3.31Å | ||
| 427 | D | 28.4 | Very low | 30.5 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 65.5 | 179.9 | -71.6 | -24.8 | 0 | 0 | 0 | 110.4 | D425 | D425-D427 PolarHBondContact O-N 2.93Š|
| 428 | D | 31.2 | Very low | 30 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 86% | 0.856 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.2 | 3.7 | 163.5 | -96.1 | -29.2 | 0 | 0 | 0 | 112.7 | N426 N430 | N426-D428 VanDerWaalsContact C-N 3.25Å; N426-D428 PolarHBondContact O-N 3.31Å; D428-N430 VanDerWaalsContact C-N 3.27Å; D428-N430 PolarHBondContact O-N 3.02Å |
| 429 | D | 30.7 | Very low | 29.2 | Very low | 135 Ų | 135 | 133 Ų | 133 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 66.3 | 179.2 | -76.5 | -34.2 | 0 | 0 | 0 | 112.6 | ||
| 430 | N | 29.5 | Very low | 28.6 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.6 | -7.6 | 174.7 | -94.6 | -58.8 | 0 | 0 | 0 | 116.4 | D428 R432 | D428-N430 VanDerWaalsContact C-N 3.27Å; D428-N430 PolarHBondContact O-N 3.02Å; N430-R432 PolarHBondContact O-N 3.21Å |
| 431 | D | 30.9 | Very low | 28.2 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 91% | 0.914 | 73% | 0.726 | S | S | * | * | trans | -86.6 | 94.3 | 169.3 | -95.7 | -33.9 | 0 | 0 | 0 | 111.2 | L433 | D431-L433 PolarHBondContact O-N 3.06Š| ||
| 432 | R | 27.6 | Very low | 28 | Very low | 242 Ų | 242 | 134.8 Ų | 134.8 | 91% | 0.913 | 74% | 0.741 | S | S | * | * | trans | -79.1 | 100.3 | 174.2 | -75.8 | -179 | 169.6 | -171.2 | -2.6 | 111.8 | N430 | N430-R432 PolarHBondContact O-N 3.21Š| ||
| 433 | L | 29 | Very low | 27.8 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | trans | -121.8 | 111.9 | 144.6 | -78.4 | 176 | 0 | 0 | 0 | 109.1 | D431 | D431-L433 PolarHBondContact O-N 3.06Š| ||
| 434 | A | 26.2 | Very low | 27.7 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | -89.6 | 109.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 435 | D | 29.9 | Very low | 27.5 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -120.3 | 132.7 | 162.9 | -107.5 | -41.3 | 0 | 0 | 0 | 109.7 | V437 | D435-V437 PolarHBondContact O-N 3.33Å; D435-V437 VanDerWaalsContact O-N 3.14Å | ||
| 436 | N | 25.1 | Very low | 27.4 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | -85.6 | 88.9 | -166.8 | -66.7 | -75.4 | 0 | 0 | 0 | 112 | G438 | N436-G438 PolarHBondContact O-N 3.33Š| ||
| 437 | V | 28 | Very low | 27.3 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | trans | -87.4 | 86.2 | 154 | -174.7 | 0 | 0 | 0 | 0 | 107.6 | D435 | D435-V437 PolarHBondContact O-N 3.33Å; D435-V437 VanDerWaalsContact O-N 3.14Å | ||
| 438 | G | 25.2 | Very low | 27.1 | Very low | 51 Ų | 51 | 142.1 Ų | 142.1 | 53% | 0.526 | 78% | 0.784 | S | S | . | * | trans | -63.1 | 150.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | N436 V440 | N436-G438 PolarHBondContact O-N 3.33Å; G438-V440 VanDerWaalsContact C-N 3.33Å; G438-V440 PolarHBondContact O-N 2.8Å | ||
| 439 | V | 24.3 | Very low | 26.9 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | -66.4 | 97.3 | 161.6 | 177.9 | 0 | 0 | 0 | 0 | 106.9 | D441 | V439-D441 PolarHBondContact O-N 2.89Š| ||
| 440 | V | 26.2 | Very low | 26.6 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | trans | -81.1 | 104 | 174.7 | -176.6 | 0 | 0 | 0 | 0 | 108 | G438 V442 | G438-V440 VanDerWaalsContact C-N 3.33Å; G438-V440 PolarHBondContact O-N 2.8Å; V440-V442 VanDerWaalsContact C-N 3.3Å; V440-V442 HydrophobicContact CG1-CG2 3.87Å; V440-V442 PolarHBondContact O-N 2.75Å | ||
| 441 | D | 24.5 | Very low | 26.6 | Very low | 135 Ų | 135 | 140 Ų | 140 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | -64 | 86.7 | 169.5 | -76.1 | -51.1 | 0 | 0 | 0 | 110.5 | V439 V443 | V439-D441 PolarHBondContact O-N 2.89Å; D441-V443 HydrophobicContact CB-CG2 4.46Å; D441-V443 PolarHBondContact O-N 2.84Å | ||
| 442 | V | 26.6 | Very low | 26.6 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | -82.9 | 70 | 166.1 | -170.8 | 0 | 0 | 0 | 0 | 108.9 | V440 N444 | V440-V442 VanDerWaalsContact C-N 3.3Å; V440-V442 HydrophobicContact CG1-CG2 3.87Å; V440-V442 PolarHBondContact O-N 2.75Å; V442-N444 HydrophobicContact CG1-CB 4.31Å; V442-N444 PolarHBondContact O-N 3.03Å | ||
| 443 | V | 26.2 | Very low | 26.9 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | trans | -76.7 | 74.3 | 164.2 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | D441 E445 | D441-V443 HydrophobicContact CB-CG2 4.46Å; D441-V443 PolarHBondContact O-N 2.84Å; V443-E445 HydrophobicContact CG1-CG 4.25Å; V443-E445 PolarHBondContact O-N 2.74Å | ||
| 444 | N | 26.5 | Very low | 27.6 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | trans | -84.7 | 99.9 | 163 | -83.3 | -5.3 | 0 | 0 | 0 | 108 | V442 | V442-N444 HydrophobicContact CG1-CB 4.31Å; V442-N444 PolarHBondContact O-N 3.03Å | ||
| 445 | E | 26.1 | Very low | 28.9 | Very low | 167 Ų | 167 | 130.9 Ų | 130.9 | 78% | 0.78 | 72% | 0.723 | S | S | * | * | trans | -68 | 156.2 | 163.3 | -63.6 | -173.2 | 133.4 | 0 | 0 | 110.2 | V443 | V443-E445 HydrophobicContact CG1-CG 4.25Å; V443-E445 PolarHBondContact O-N 2.74Å | ||
| 446 | S | 25.9 | Very low | 30.8 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 69% | 0.685 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 78.9 | 138.6 | -173.7 | 79.5 | 0 | 0 | 0 | 0 | 117.7 | ||
| 447 | N | 24.9 | Very low | 33.1 | Very low | 152 Ų | 152 | 119.9 Ų | 119.9 | 81% | 0.813 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 80.9 | 123.7 | 166.4 | -49 | -37.1 | 0 | 0 | 0 | 118.3 | ||
| 448 | E | 25.1 | Very low | 35.7 | Very low | 179 Ų | 179 | 113.3 Ų | 113.3 | 84% | 0.836 | 62% | 0.623 | S | S | * | * | trans | 11.5 | 106.8 | 170.2 | -61.6 | -175.2 | 126.6 | 0 | 0 | 118.8 | N450 | E448-N450 PolarHBondContact O-N 3.38Š| ||
| 449 | Y | 26.1 | Very low | 38.4 | Very low | 180 Ų | 180 | 113.8 Ų | 113.8 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | trans | -70.6 | 76.3 | 163.8 | -153.7 | -81 | 0 | 0 | 0 | 109.8 | ||||
| 450 | N | 24.5 | Very low | 41.2 | Very low | 124 Ų | 124 | 112.8 Ų | 112.8 | 66% | 0.663 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 127.8 | 175.7 | -124 | -43.9 | 0 | 0 | 0 | 108.8 | E448 I452 | E448-N450 PolarHBondContact O-N 3.38Å; N450-I452 PolarHBondContact O-N 3.06Å |
| 451 | P | 29.3 | Very low | 44.1 | Very low | 99 Ų | 99 | 107.9 Ų | 107.9 | 64% | 0.643 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 120.7 | 177.1 | 25.2 | -33.2 | 0 | 0 | 0 | 107.6 | N453 | P451-N453 PolarHBondContact O-N 3.27Š|
| 452 | I | 31.9 | Very low | 47.1 | Very low | 125 Ų | 125 | 103 Ų | 103 | 64% | 0.641 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 117.7 | -172.6 | -62.5 | 173 | 0 | 0 | 0 | 107.9 | N450 S454 | N450-I452 PolarHBondContact O-N 3.06Å; I452-S454 VanDerWaalsContact C-N 3.25Å; I452-S454 PolarHBondContact O-N 3.21Å |
| 453 | N | 32.9 | Very low | 50 | Low | 134 Ų | 134 | 103.3 Ų | 103.3 | 72% | 0.717 | 54% | 0.543 | S | S | * | . | trans | -58.9 | 96.7 | 166.9 | -93.1 | -31.9 | 0 | 0 | 0 | 106.7 | P451 F455 | P451-N453 PolarHBondContact O-N 3.27Å; N453-F455 VanDerWaalsContact O-CD2 3.28Å; N453-F455 WeakPolarHBondContact O-CD2 3.39Å; N453-F455 PolarHBondContact O-N 3.35Å | ||
| 454 | S | 45.5 | Very low | 53 | Low | 102 Ų | 102 | 101 Ų | 101 | 71% | 0.713 | 52% | 0.524 | S | S | * | . | trans | -65.8 | 93.9 | 169.3 | 44.9 | 0 | 0 | 0 | 0 | 106.2 | I452 K456 | I452-S454 VanDerWaalsContact C-N 3.25Å; I452-S454 PolarHBondContact O-N 3.21Å; S454-K456 VanDerWaalsContact C-N 3.34Å; S454-K456 PolarHBondContact O-N 3.41Å | ||
| 455 | F | 52.7 | Low | 56.1 | Low | 131 Ų | 131 | 94.4 Ų | 94.4 | 58% | 0.575 | 49% | 0.489 | S | S | * | . | trans | -55.1 | 97.9 | -174.6 | -84.5 | -88.7 | 0 | 0 | 0 | 108.9 | N453 V457 | N453-F455 VanDerWaalsContact O-CD2 3.28Å; N453-F455 WeakPolarHBondContact O-CD2 3.39Å; N453-F455 PolarHBondContact O-N 3.35Å; F455-V457 PolarHBondContact O-N 3.2Å | ||
| 456 | K | 69 | Low | 59.2 | Low | 60 Ų | 60 | 87.7 Ų | 87.7 | 26% | 0.261 | 46% | 0.459 | S | S | . | . | trans | -56.8 | 132.5 | -174.2 | -82.6 | 176.8 | 166.6 | -75.8 | 0 | 108.4 | D147 I337 S454 T458 S459 | D147-K456 HydrophobicContact CB-CB 4.44Å; D147-K456 HydrophobicContact CB-CG 4.29Å; D147-K456 WeakPolarHBondContact OD2-CD 3.33Å; D147-K456 IonicContact OD2-NZ 3.89Å; D147-K456 PolarHBondContact OD2-NZ 2.83Å; I337-K456 HydrophobicContact CD1-CD 4.23Å; S454-K456 VanDerWaalsContact C-N 3.34Å; S454-K456 PolarHBondContact O-N 3.41Å; K456-T458 PolarHBondContact O-N 3.44Å; K456-S459 PolarHBondContact N-OG 3.11Å; K456-S459 WeakPolarHBondContact O-CB 3.45Å; K456-S459 PolarHBondContact O-N 3.25Å; K456-S459 PolarHBondContact O-OG 2.95Å | ||
| 457 | V | 73.9 | Confident | 62.4 | Low | 21 Ų | 21 | 86.2 Ų | 86.2 | 13% | 0.127 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -39.2 | -46.7 | 178.9 | 156.4 | 0 | 0 | 0 | 0 | 111.3 | C80 D147 F455 W461 L483 R527 | C80-V457 HydrophobicContact CB-CG2 4.2Å; D147-V457 HydrophobicContact CB-CB 4.47Å; F455-V457 PolarHBondContact O-N 3.2Å; V457-W461 HydrophobicContact CG1-CH2 4.27Å; V457-W461 HydrophobicContact CG1-CZ2 4.36Å; V457-L483 HydrophobicContact CB-CD1 4.12Å; V457-L483 HydrophobicContact CG1-CD1 3.39Å; V457-L483 HydrophobicContact CG2-CB 4.44Å; V457-L483 HydrophobicContact CG2-CD1 3.84Å; V457-R527 PolarHBondContact O-NH1 2.96Å; V457-R527 PolarHBondContact O-NH2 3.12Å |
| 458 | T | 83 | Confident | 65.7 | Low | 10 Ų | 10 | 79.6 Ų | 79.6 | 6% | 0.061 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 2.3 | -172.7 | 63.8 | 0 | 0 | 0 | 0 | 116.3 | D147 K456 Y460 W461 L466 F469 R470 | D147-T458 PolarHBondContact OD1-N 2.81Å; D147-T458 PolarHBondContact OD1-OG1 3.24Å; K456-T458 PolarHBondContact O-N 3.44Å; T458-Y460 PolarHBondContact O-N 2.89Å; T458-W461 HydrophobicContact CG2-CD2 4.4Å; T458-W461 HydrophobicContact CG2-CE3 3.8Å; T458-W461 HydrophobicContact CG2-CZ3 4.18Å; T458-W461 PolarHBondContact O-N 3.31Å; T458-L466 HydrophobicContact CG2-CD1 3.88Å; T458-F469 HydrophobicContact CG2-CD1 3.51Å; T458-F469 HydrophobicContact CG2-CE1 3.69Å; T458-F469 HydrophobicContact CG2-CG 4.37Å; T458-R470 PolarHBondContact OG1-NH2 2.9Å |
| 459 | S | 81.1 | Confident | 69 | Low | 61 Ų | 61 | 71.1 Ų | 71.1 | 43% | 0.427 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -31.4 | -167.1 | -64.2 | 0 | 0 | 0 | 0 | 116.1 | K456 | K456-S459 PolarHBondContact N-OG 3.11Å; K456-S459 WeakPolarHBondContact O-CB 3.45Å; K456-S459 PolarHBondContact O-N 3.25Å; K456-S459 PolarHBondContact O-OG 2.95Å |
| 460 | Y | 82.9 | Confident | 72.3 | Confident | 115 Ų | 115 | 62.7 Ų | 62.7 | 45% | 0.451 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 10.8 | -176.2 | -53.7 | -65.7 | 0 | 0 | 0 | 113.2 | T458 R527 | T458-Y460 PolarHBondContact O-N 2.89Å; Y460-R527 HydrophobicContact CD2-CG 4.28Å |
| 461 | W | 87.5 | Confident | 75.6 | Confident | 15 Ų | 15 | 59 Ų | 59 | 6% | 0.057 | 32% | 0.316 | C | S | . | . | trans | -73.5 | 143.5 | -176.8 | -81 | 5.8 | 0 | 0 | 0 | 112.5 | V457 T458 N463 L465 L466 F469 L479 L483 E521 | V457-W461 HydrophobicContact CG1-CH2 4.27Å; V457-W461 HydrophobicContact CG1-CZ2 4.36Å; T458-W461 HydrophobicContact CG2-CD2 4.4Å; T458-W461 HydrophobicContact CG2-CE3 3.8Å; T458-W461 HydrophobicContact CG2-CZ3 4.18Å; T458-W461 PolarHBondContact O-N 3.31Å; W461-N463 PolarHBondContact O-N 2.85Å; W461-L465 HydrophobicContact CB-CD2 4.18Å; W461-L465 HydrophobicContact CD2-CD2 3.53Å; W461-L465 HydrophobicContact CD2-CG 4.04Å; W461-L465 HydrophobicContact CE3-CD2 3.72Å; W461-L465 HydrophobicContact CE3-CG 3.69Å; W461-L465 HydrophobicContact CG-CD2 3.79Å; W461-L465 HydrophobicContact CG-CG 4.49Å; W461-L465 HydrophobicContact CZ2-CD2 4.4Å; W461-L465 HydrophobicContact CZ3-CD2 4.22Å; W461-L465 HydrophobicContact CZ3-CG 4.08Å; W461-L466 HydrophobicContact CB-CB 4.49Å; W461-F469 HydrophobicContact CE3-CB 4.43Å; W461-F469 HydrophobicContact CZ3-CB 3.89Å; W461-F469 HydrophobicContact CZ3-CD2 4.22Å; W461-F469 AromaticContact CZ3-CG 3.95Å; W461-F469 HydrophobicContact CZ3-CG 3.95Å; W461-L479 HydrophobicContact CH2-CD1 3.74Å; W461-L479 HydrophobicContact CH2-CD2 4.03Å; W461-L479 HydrophobicContact CZ3-CD1 4.39Å; W461-L483 HydrophobicContact CZ2-CD1 4.43Å; W461-E521 PolarHBondContact NE1-OE1 3.34Å | ||
| 462 | P | 87.7 | Confident | 78.7 | Confident | 32 Ų | 32 | 55.5 Ų | 55.5 | 21% | 0.208 | 29% | 0.29 | C | S | . | . | trans | -52.1 | 139.8 | 170.6 | -27.4 | 35.3 | 0 | 0 | 0 | 111.9 | Q464 L465 L466 I524 | P462-Q464 PolarHBondContact O-N 2.97Å; P462-Q464 VanDerWaalsContact O-N 3.1Å; P462-L465 HydrophobicContact CB-CB 4.46Å; P462-L465 PolarHBondContact O-N 3.22Å; P462-L466 PolarHBondContact O-N 3.13Å; P462-I524 HydrophobicContact CG-CD1 4.02Å; P462-I524 HydrophobicContact CG-CG2 4.25Å | ||
| 463 | N | 88 | Confident | 81.7 | Confident | 113 Ų | 113 | 52.5 Ų | 52.5 | 60% | 0.604 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -56.3 | -32.4 | -175.6 | -76.5 | -61.7 | 0 | 0 | 0 | 113.6 | W461 N467 | W461-N463 PolarHBondContact O-N 2.85Å; N463-N467 WeakPolarHBondContact O-CB 3.21Å; N463-N467 VanDerWaalsContact O-CG 3.28Å; N463-N467 PolarHBondContact O-N 2.85Å; N463-N467 PolarHBondContact O-ND2 3.17Å |
| 464 | Q | 88.9 | Confident | 84.6 | Confident | 61 Ų | 61 | 46.2 Ų | 46.2 | 29% | 0.285 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.1 | -53.5 | 172.1 | -66.9 | 94.7 | -73.4 | 0 | 0 | 111.8 | P462 L466 N467 S468 S734 | P462-Q464 PolarHBondContact O-N 2.97Å; P462-Q464 VanDerWaalsContact O-N 3.1Å; Q464-L466 VanDerWaalsContact C-N 3.35Å; Q464-L466 PolarHBondContact O-N 2.95Å; Q464-N467 WeakPolarHBondContact O-CB 3.24Å; Q464-N467 PolarHBondContact O-N 2.85Å; Q464-N467 VanDerWaalsContact O-N 3.13Å; Q464-S468 PolarHBondContact O-N 2.93Å; Q464-S468 PolarHBondContact O-OG 3.46Å; Q464-S734 WeakPolarHBondContact CB-O 3.24Å |
| 465 | L | 91.2 | Very high | 86.9 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 177.5 | -179.5 | 66.6 | 0 | 0 | 0 | 112.5 | W461 P462 S468 F469 I474 I520 L731 | W461-L465 HydrophobicContact CB-CD2 4.18Å; W461-L465 HydrophobicContact CD2-CD2 3.53Å; W461-L465 HydrophobicContact CD2-CG 4.04Å; W461-L465 HydrophobicContact CE3-CD2 3.72Å; W461-L465 HydrophobicContact CE3-CG 3.69Å; W461-L465 HydrophobicContact CG-CD2 3.79Å; W461-L465 HydrophobicContact CG-CG 4.49Å; W461-L465 HydrophobicContact CZ2-CD2 4.4Å; W461-L465 HydrophobicContact CZ3-CD2 4.22Å; W461-L465 HydrophobicContact CZ3-CG 4.08Å; P462-L465 HydrophobicContact CB-CB 4.46Å; P462-L465 PolarHBondContact O-N 3.22Å; L465-S468 PolarHBondContact O-N 3.19Å; L465-F469 WeakPolarHBondContact O-CB 3.29Å; L465-F469 PolarHBondContact O-N 3.38Å; L465-I474 HydrophobicContact CD1-CD1 4.42Å; L465-I474 HydrophobicContact CD1-CG1 4.08Å; L465-I520 HydrophobicContact CD2-CD1 3.9Å; L465-I520 HydrophobicContact CD2-CG2 4.48Å; L465-L731 HydrophobicContact CD1-CD1 3.61Å |
| 466 | L | 92.2 | Very high | 88.8 | Confident | 27 Ų | 27 | 35.8 Ų | 35.8 | 14% | 0.141 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 174.1 | 168.6 | 58.3 | 0 | 0 | 0 | 111 | T458 W461 P462 Q464 S468 F469 R470 | T458-L466 HydrophobicContact CG2-CD1 3.88Å; W461-L466 HydrophobicContact CB-CB 4.49Å; P462-L466 PolarHBondContact O-N 3.13Å; Q464-L466 VanDerWaalsContact C-N 3.35Å; Q464-L466 PolarHBondContact O-N 2.95Å; L466-S468 PolarHBondContact O-N 2.93Å; L466-F469 PolarHBondContact O-N 3.49Å; L466-R470 HydrophobicContact CD1-CG 3.71Å; L466-R470 HydrophobicContact CG-CG 4.47Å; L466-R470 VanDerWaalsContact O-CG 3.29Å; L466-R470 WeakPolarHBondContact O-CG 3.31Å; L466-R470 PolarHBondContact O-N 2.92Å |
| 467 | N | 92.3 | Very high | 89.8 | Confident | 66 Ų | 66 | 34.6 Ų | 34.6 | 35% | 0.353 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 174.7 | -79.6 | -44.7 | 0 | 0 | 0 | 112.1 | H341 N463 Q464 F469 R470 N471 | H341-N467 PolarHBondContact CE1-OD1 3.41Å; H341-N467 PolarHBondContact ND1-OD1 3.1Å; N463-N467 WeakPolarHBondContact O-CB 3.21Å; N463-N467 VanDerWaalsContact O-CG 3.28Å; N463-N467 PolarHBondContact O-N 2.85Å; N463-N467 PolarHBondContact O-ND2 3.17Å; Q464-N467 WeakPolarHBondContact O-CB 3.24Å; Q464-N467 PolarHBondContact O-N 2.85Å; Q464-N467 VanDerWaalsContact O-N 3.13Å; N467-F469 VanDerWaalsContact C-N 3.34Å; N467-F469 PolarHBondContact O-N 3.29Å; N467-R470 PolarHBondContact O-N 2.84Å; N467-N471 WeakPolarHBondContact O-CB 3.44Å; N467-N471 PolarHBondContact O-N 2.86Å; N467-N471 PolarHBondContact O-ND2 3.24Å |
| 468 | S | 93.5 | Very high | 90.6 | Very high | 14 Ų | 14 | 33.7 Ų | 33.7 | 10% | 0.098 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 178.4 | -60 | 0 | 0 | 0 | 0 | 112.2 | Q464 L465 L466 Y472 L473 I474 S734 | Q464-S468 PolarHBondContact O-N 2.93Å; Q464-S468 PolarHBondContact O-OG 3.46Å; L465-S468 PolarHBondContact O-N 3.19Å; L466-S468 PolarHBondContact O-N 2.93Å; S468-Y472 PolarHBondContact O-N 2.98Å; S468-L473 WeakPolarHBondContact O-CA 3.37Å; S468-L473 WeakPolarHBondContact O-CB 3.46Å; S468-L473 PolarHBondContact O-N 3.43Å; S468-I474 PolarHBondContact O-N 2.91Å; S468-S734 VanDerWaalsContact CB-OG 3.28Å; S468-S734 WeakPolarHBondContact CB-OG 3.27Å; S468-S734 PolarHBondContact OG-OG 2.88Å |
| 469 | F | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.6 | -48 | 172.9 | 174.4 | -103.2 | 0 | 0 | 0 | 112.5 | T145 S146 T458 W461 L465 L466 N467 N471 Y472 I474 P476 L479 | T145-F469 WeakPolarHBondContact CB-O 3.35Å; T145-F469 HydrophobicContact CG2-CE2 4.49Å; T145-F469 HydrophobicContact CG2-CZ 4.22Å; T145-F469 PolarHBondContact OG1-O 2.99Å; S146-F469 VanDerWaalsContact O-CE1 3.26Å; S146-F469 WeakPolarHBondContact O-CE1 3.46Å; S146-F469 VanDerWaalsContact O-CZ 3.28Å; S146-F469 WeakPolarHBondContact O-CZ 3.33Å; T458-F469 HydrophobicContact CG2-CD1 3.51Å; T458-F469 HydrophobicContact CG2-CE1 3.69Å; T458-F469 HydrophobicContact CG2-CG 4.37Å; W461-F469 HydrophobicContact CE3-CB 4.43Å; W461-F469 HydrophobicContact CZ3-CB 3.89Å; W461-F469 HydrophobicContact CZ3-CD2 4.22Å; W461-F469 AromaticContact CZ3-CG 3.95Å; W461-F469 HydrophobicContact CZ3-CG 3.95Å; L465-F469 WeakPolarHBondContact O-CB 3.29Å; L465-F469 PolarHBondContact O-N 3.38Å; L466-F469 PolarHBondContact O-N 3.49Å; N467-F469 VanDerWaalsContact C-N 3.34Å; N467-F469 PolarHBondContact O-N 3.29Å; F469-N471 PolarHBondContact O-N 2.96Å; F469-Y472 PolarHBondContact O-N 3.46Å; F469-I474 HydrophobicContact CB-CB 4.47Å; F469-P476 HydrophobicContact CE2-CB 4.29Å; F469-P476 HydrophobicContact CE2-CG 3.96Å; F469-L479 HydrophobicContact CD2-CD1 3.66Å; F469-L479 HydrophobicContact CE2-CD1 3.51Å |
| 470 | R | 94.8 | Very high | 91.2 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 1% | 0.011 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -31.9 | 178.4 | -64.9 | -59 | 179.2 | -174 | -2.4 | 112.6 | V144 T145 D147 H341 T458 L466 N467 Y472 | V144-R470 HydrophobicContact CG2-CB 4.3Å; T145-R470 PolarHBondContact N-O 3.49Å; T145-R470 WeakPolarHBondContact O-CD 3.49Å; T145-R470 PolarHBondContact O-NH1 3.41Å; T145-R470 PolarHBondContact OG1-O 3.4Å; D147-R470 VanDerWaalsContact N-NH1 3.2Å; D147-R470 IonicContact OD1-CZ 3.33Å; D147-R470 IonicContact OD1-NH1 3.45Å; D147-R470 IonicContact OD1-NH2 2.74Å; D147-R470 PolarHBondContact OD1-NH2 3.15Å; D147-R470 IonicContact OD2-CZ 2.93Å; D147-R470 IonicContact OD2-NH1 2.59Å; D147-R470 PolarHBondContact OD2-NH1 2.87Å; D147-R470 IonicContact OD2-NH2 3.17Å; D147-R470 PolarHBondContact OD2-NH2 2.88Å; H341-R470 HydrophobicContact CB-CB 4.44Å; T458-R470 PolarHBondContact OG1-NH2 2.9Å; L466-R470 HydrophobicContact CD1-CG 3.71Å; L466-R470 HydrophobicContact CG-CG 4.47Å; L466-R470 VanDerWaalsContact O-CG 3.29Å; L466-R470 WeakPolarHBondContact O-CG 3.31Å; L466-R470 PolarHBondContact O-N 2.92Å; N467-R470 PolarHBondContact O-N 2.84Å; R470-Y472 VanDerWaalsContact C-N 3.3Å |
| 471 | N | 94.4 | Very high | 91.3 | Very high | 46 Ų | 46 | 25 Ų | 25 | 25% | 0.246 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 10.9 | 172.9 | -68.1 | -71 | 0 | 0 | 0 | 114.1 | Y143 N467 F469 L473 | Y143-N471 HydrophobicContact CE2-CB 4.48Å; Y143-N471 PolarHBondContact OH-O 3.34Å; N467-N471 WeakPolarHBondContact O-CB 3.44Å; N467-N471 PolarHBondContact O-N 2.86Å; N467-N471 PolarHBondContact O-ND2 3.24Å; F469-N471 PolarHBondContact O-N 2.96Å; N471-L473 HydrophobicContact CB-CD1 4.2Å; N471-L473 HydrophobicContact CB-CG 4.05Å; N471-L473 PolarHBondContact O-N 3.02Å; N471-L473 VanDerWaalsContact O-N 3.14Å |
| 472 | Y | 95.1 | Very high | 91.3 | Very high | 26 Ų | 26 | 24.3 Ų | 24.3 | 10% | 0.102 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 23.6 | 178.4 | -145.7 | -89.6 | 0 | 0 | 0 | 114.6 | L77 V129 I133 T145 S468 F469 R470 L475 P476 | L77-Y472 HydrophobicContact CB-CD2 4.19Å; L77-Y472 HydrophobicContact CB-CE2 4.32Å; L77-Y472 HydrophobicContact CD1-CD2 3.97Å; L77-Y472 HydrophobicContact CD1-CG 4.36Å; V129-Y472 HydrophobicContact CB-CE1 4.1Å; V129-Y472 HydrophobicContact CG1-CD1 4Å; V129-Y472 HydrophobicContact CG1-CE1 3.38Å; V129-Y472 HydrophobicContact CG1-CE2 4.48Å; I133-Y472 HydrophobicContact CD1-CG 4.44Å; I133-Y472 HydrophobicContact CG1-CD1 4.15Å; I133-Y472 HydrophobicContact CG1-CG 4.25Å; T145-Y472 HydrophobicContact CG2-CD2 3.74Å; T145-Y472 HydrophobicContact CG2-CE2 4.15Å; T145-Y472 WeakPolarHBondContact OG1-CD2 3.46Å; S468-Y472 PolarHBondContact O-N 2.98Å; F469-Y472 PolarHBondContact O-N 3.46Å; R470-Y472 VanDerWaalsContact C-N 3.3Å; Y472-L475 HydrophobicContact CD1-CD2 3.77Å; Y472-L475 HydrophobicContact CE1-CD2 3.47Å; Y472-L475 VanDerWaalsContact CE1-CD2 3.47Å; Y472-P476 HydrophobicContact CD2-CG 4.38Å; Y472-P476 HydrophobicContact CE2-CG 3.78Å |
| 473 | L | 94 | Very high | 90.9 | Very high | 63 Ų | 63 | 24 Ų | 24 | 33% | 0.33 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -80.4 | -24.7 | 174.5 | -54.5 | 176.8 | 0 | 0 | 0 | 111.4 | S468 N471 Q730 | S468-L473 WeakPolarHBondContact O-CA 3.37Å; S468-L473 WeakPolarHBondContact O-CB 3.46Å; S468-L473 PolarHBondContact O-N 3.43Å; N471-L473 HydrophobicContact CB-CD1 4.2Å; N471-L473 HydrophobicContact CB-CG 4.05Å; N471-L473 PolarHBondContact O-N 3.02Å; N471-L473 VanDerWaalsContact O-N 3.14Å; L473-Q730 HydrophobicContact CB-CB 4.26Å; L473-Q730 HydrophobicContact CB-CG 4.07Å |
| 474 | I | 94.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -100.9 | 114 | 164.5 | -51.8 | -58.2 | 0 | 0 | 0 | 108.2 | L465 S468 F469 P476 L479 T727 Q730 L731 | L465-I474 HydrophobicContact CD1-CD1 4.42Å; L465-I474 HydrophobicContact CD1-CG1 4.08Å; S468-I474 PolarHBondContact O-N 2.91Å; F469-I474 HydrophobicContact CB-CB 4.47Å; I474-P476 WeakPolarHBondContact O-CD 3.35Å; I474-L479 HydrophobicContact CG2-CD1 4.4Å; I474-L479 HydrophobicContact CG2-CD2 4.06Å; I474-L479 HydrophobicContact CG2-CG 4.47Å; I474-T727 HydrophobicContact CD1-CG2 4.35Å; I474-T727 HydrophobicContact CG2-CG2 4.11Å; I474-Q730 HydrophobicContact CD1-CB 3.94Å; I474-L731 HydrophobicContact CD1-CB 4.01Å |
| 475 | L | 93.3 | Very high | 89.9 | Confident | 10 Ų | 10 | 20.7 Ų | 20.7 | 5% | 0.052 | 10% | 0.104 | C | C | . | . | trans | -72.2 | 121.1 | -176.9 | -63 | 177.2 | 0 | 0 | 0 | 111.5 | I130 Y472 I477 Y478 M723 T727 | I130-L475 HydrophobicContact CD1-CD1 4.03Å; I130-L475 HydrophobicContact CD1-CD2 4.03Å; I130-L475 HydrophobicContact CG1-CD2 3.96Å; Y472-L475 HydrophobicContact CD1-CD2 3.77Å; Y472-L475 HydrophobicContact CE1-CD2 3.47Å; Y472-L475 VanDerWaalsContact CE1-CD2 3.47Å; L475-I477 HydrophobicContact CB-CG2 4.22Å; L475-I477 PolarHBondContact O-N 3.23Å; L475-I477 VanDerWaalsContact O-N 3.11Å; L475-Y478 HydrophobicContact CB-CD2 4.09Å; L475-Y478 HydrophobicContact CB-CE2 4.25Å; L475-Y478 HydrophobicContact CD1-CE2 3.88Å; L475-Y478 PolarHBondContact O-N 3.21Å; L475-M723 HydrophobicContact CD1-CB 3.88Å; L475-M723 HydrophobicContact CD1-CG 4.4Å; L475-M723 HydrophobicContact CD1-SD 4.29Å; L475-T727 WeakPolarHBondContact CD1-OG1 3.4Å; L475-T727 WeakPolarHBondContact CG-OG1 3.16Å | ||
| 476 | P | 92.5 | Very high | 89.7 | Confident | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.019 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -59.6 | -27.8 | -174.8 | -24.4 | 32.5 | 0 | 0 | 0 | 115.2 | G79 T145 F469 Y472 I474 Y478 L479 D480 | G79-P476 VanDerWaalsContact C-CB 3.48Å; G79-P476 WeakPolarHBondContact O-CB 3.3Å; T145-P476 HydrophobicContact CG2-CG 4.31Å; F469-P476 HydrophobicContact CE2-CB 4.29Å; F469-P476 HydrophobicContact CE2-CG 3.96Å; Y472-P476 HydrophobicContact CD2-CG 4.38Å; Y472-P476 HydrophobicContact CE2-CG 3.78Å; I474-P476 WeakPolarHBondContact O-CD 3.35Å; P476-Y478 PolarHBondContact O-N 3.34Å; P476-Y478 VanDerWaalsContact O-N 3.11Å; P476-L479 WeakPolarHBondContact O-CA 3.28Å; P476-L479 VanDerWaalsContact O-CB 3.29Å; P476-L479 WeakPolarHBondContact O-CB 3.35Å; P476-L479 PolarHBondContact O-N 3.33Å; P476-D480 PolarHBondContact O-N 3.03Å; P476-D480 VanDerWaalsContact O-N 3.15Å |
| 477 | I | 90 | Very high | 89.6 | Confident | 36 Ų | 36 | 19.6 Ų | 19.6 | 19% | 0.185 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -59.5 | -22.4 | 176.3 | -166.3 | 170 | 0 | 0 | 0 | 113.7 | L475 L479 S487 F489 I490 | L475-I477 HydrophobicContact CB-CG2 4.22Å; L475-I477 PolarHBondContact O-N 3.23Å; L475-I477 VanDerWaalsContact O-N 3.11Å; I477-L479 VanDerWaalsContact C-N 3.35Å; I477-S487 WeakPolarHBondContact O-CB 3.34Å; I477-S487 PolarHBondContact O-OG 3.15Å; I477-F489 HydrophobicContact CD1-CD1 3.99Å; I477-F489 HydrophobicContact CD1-CE1 4.16Å; I477-F489 HydrophobicContact CG1-CD1 4.32Å; I477-F489 HydrophobicContact CG1-CE1 4.01Å; I477-I490 HydrophobicContact CD1-CG1 4.39Å |
| 478 | Y | 90.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -90.9 | 3.5 | 173.4 | -54.4 | -36.5 | 0 | 0 | 0 | 113.3 | L475 P476 F489 R510 I513 Y514 T724 T727 | L475-Y478 HydrophobicContact CB-CD2 4.09Å; L475-Y478 HydrophobicContact CB-CE2 4.25Å; L475-Y478 HydrophobicContact CD1-CE2 3.88Å; L475-Y478 PolarHBondContact O-N 3.21Å; P476-Y478 PolarHBondContact O-N 3.34Å; P476-Y478 VanDerWaalsContact O-N 3.11Å; Y478-F489 AromaticContact CD1-CE1 3.98Å; Y478-F489 HydrophobicContact CD1-CE1 3.98Å; Y478-F489 HydrophobicContact CD1-CZ 4.27Å; Y478-F489 AromaticContact CE1-CE1 3.83Å; Y478-F489 HydrophobicContact CE1-CE1 3.83Å; Y478-F489 HydrophobicContact CE1-CZ 4.46Å; Y478-R510 HydrophobicContact CD1-CG 4.11Å; Y478-R510 VanDerWaalsContact CE1-CD 3.5Å; Y478-R510 HydrophobicContact CE1-CG 4.01Å; Y478-I513 HydrophobicContact CD2-CD1 3.88Å; Y478-I513 HydrophobicContact CE2-CD1 4.28Å; Y478-I513 HydrophobicContact CG-CD1 4.45Å; Y478-Y514 WeakPolarHBondContact O-CD1 3.43Å; Y478-Y514 VanDerWaalsContact O-CE1 3.28Å; Y478-Y514 WeakPolarHBondContact O-CE1 3.28Å; Y478-T724 HydrophobicContact CE2-CG2 4.33Å; Y478-T724 PolarHBondContact OH-N 3.41Å; Y478-T724 PolarHBondContact OH-OG1 3.31Å; Y478-T727 HydrophobicContact CD2-CG2 3.81Å; Y478-T727 HydrophobicContact CE2-CG2 4.38Å |
| 479 | L | 89.9 | Confident | 89.4 | Confident | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -32.9 | 174.6 | -49.9 | 179.5 | 0 | 0 | 0 | 111.6 | W461 F469 I474 P476 I477 S481 I482 L483 I517 | W461-L479 HydrophobicContact CH2-CD1 3.74Å; W461-L479 HydrophobicContact CH2-CD2 4.03Å; W461-L479 HydrophobicContact CZ3-CD1 4.39Å; F469-L479 HydrophobicContact CD2-CD1 3.66Å; F469-L479 HydrophobicContact CE2-CD1 3.51Å; I474-L479 HydrophobicContact CG2-CD1 4.4Å; I474-L479 HydrophobicContact CG2-CD2 4.06Å; I474-L479 HydrophobicContact CG2-CG 4.47Å; P476-L479 WeakPolarHBondContact O-CA 3.28Å; P476-L479 VanDerWaalsContact O-CB 3.29Å; P476-L479 WeakPolarHBondContact O-CB 3.35Å; P476-L479 PolarHBondContact O-N 3.33Å; I477-L479 VanDerWaalsContact C-N 3.35Å; L479-S481 PolarHBondContact O-N 2.97Å; L479-I482 PolarHBondContact O-N 3.32Å; L479-L483 HydrophobicContact CB-CD1 3.99Å; L479-L483 PolarHBondContact O-N 2.94Å; L479-I517 HydrophobicContact CD2-CD1 3.47Å; L479-I517 VanDerWaalsContact CD2-CD1 3.47Å; L479-I517 HydrophobicContact CD2-CG1 4.47Å |
| 480 | D | 87.7 | Confident | 89.2 | Confident | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -48.2 | -29.1 | 177.9 | -74.2 | -25.1 | 0 | 0 | 0 | 114.7 | C80 H81 P476 S484 G486 S487 | C80-D480 WeakPolarHBondContact CA-OD1 3.46Å; H81-D480 IonicContact CE1-OD2 3.29Å; H81-D480 IonicContact CG-OD1 2.73Å; H81-D480 IonicContact CG-OD2 2.88Å; H81-D480 PolarHBondContact N-OD1 3.37Å; H81-D480 IonicContact ND1-OD1 3.78Å; H81-D480 PolarHBondContact ND1-OD1 2.83Å; H81-D480 IonicContact ND1-OD2 2.67Å; H81-D480 PolarHBondContact ND1-OD2 2.62Å; P476-D480 PolarHBondContact O-N 3.03Å; P476-D480 VanDerWaalsContact O-N 3.15Å; D480-S484 CarbonylContact O-C 3.52Å; D480-S484 WeakPolarHBondContact O-CA 3.34Å; D480-S484 VanDerWaalsContact O-CB 3.25Å; D480-S484 WeakPolarHBondContact O-CB 3.37Å; D480-S484 PolarHBondContact O-N 2.92Å; D480-G486 CarbonylContact O-C 3.54Å; D480-G486 PolarHBondContact O-N 2.87Å; D480-S487 WeakPolarHBondContact CB-OG 3.29Å |
| 481 | S | 85.2 | Confident | 88.9 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -78.5 | -22.4 | 178.3 | -71 | 0 | 0 | 0 | 0 | 114.2 | L479 S487 G534 I545 T546 | L479-S481 PolarHBondContact O-N 2.97Å; S481-S487 WeakPolarHBondContact CB-OG 3.17Å; S481-S487 PolarHBondContact N-OG 3.1Å; S481-S487 VanDerWaalsContact N-OG 3.1Å; S481-S487 WeakPolarHBondContact OG-CB 3.3Å; S481-S487 PolarHBondContact OG-N 3.01Å; S481-S487 PolarHBondContact OG-OG 3.1Å; S481-G534 CarbonylContact O-C 3.59Å; S481-G534 WeakPolarHBondContact O-CA 3.41Å; S481-I545 VanDerWaalsContact CB-CD1 3.44Å; S481-I545 VanDerWaalsContact O-CB 3.25Å; S481-I545 WeakPolarHBondContact O-CB 3.27Å; S481-I545 VanDerWaalsContact O-CG2 3.22Å; S481-I545 WeakPolarHBondContact O-CG2 3.46Å; S481-T546 PolarHBondContact OG-O 3.01Å |
| 482 | I | 86.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -99 | -42.4 | -179.4 | -63 | 171.6 | 0 | 0 | 0 | 110.5 | L479 Y514 I517 L518 L532 G534 I545 | L479-I482 PolarHBondContact O-N 3.32Å; I482-Y514 HydrophobicContact CD1-CD1 4.15Å; I482-Y514 HydrophobicContact CD1-CG 4.48Å; I482-I517 HydrophobicContact CD1-CB 3.83Å; I482-I517 HydrophobicContact CD1-CD1 4.09Å; I482-I517 HydrophobicContact CD1-CG2 3.73Å; I482-L518 HydrophobicContact CD1-CD2 4.42Å; I482-L518 HydrophobicContact CD1-CG 4.42Å; I482-L518 HydrophobicContact CG2-CD2 3.9Å; I482-L532 HydrophobicContact CG2-CB 4.35Å; I482-L532 HydrophobicContact CG2-CD1 4.28Å; I482-L532 HydrophobicContact CG2-CD2 4.38Å; I482-L532 CarbonylContact O-C 3.17Å; I482-G534 WeakPolarHBondContact O-CA 3.36Å; I482-G534 PolarHBondContact O-N 3.01Å; I482-I545 HydrophobicContact CG1-CD1 4.13Å; I482-I545 HydrophobicContact CG1-CG2 4.14Å |
| 483 | L | 79.9 | Confident | 88.7 | Confident | 26 Ų | 26 | 16.1 Ų | 16.1 | 14% | 0.136 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -96.1 | -22.2 | -170.2 | -55 | 179.4 | 0 | 0 | 0 | 112.7 | V457 W461 L479 L532 | V457-L483 HydrophobicContact CB-CD1 4.12Å; V457-L483 HydrophobicContact CG1-CD1 3.39Å; V457-L483 HydrophobicContact CG2-CB 4.44Å; V457-L483 HydrophobicContact CG2-CD1 3.84Å; W461-L483 HydrophobicContact CZ2-CD1 4.43Å; L479-L483 HydrophobicContact CB-CD1 3.99Å; L479-L483 PolarHBondContact O-N 2.94Å; L483-L532 HydrophobicContact CD2-CD2 4.09Å |
| 484 | S | 78.4 | Confident | 88.6 | Confident | 15 Ų | 15 | 13.1 Ų | 13.1 | 11% | 0.105 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -124.2 | 176.5 | 176.3 | -44 | 0 | 0 | 0 | 0 | 109.3 | H81 D480 G486 G534 | H81-S484 VanDerWaalsContact O-CB 3.24Å; H81-S484 WeakPolarHBondContact O-CB 3.38Å; H81-S484 PolarHBondContact O-OG 3.12Å; D480-S484 CarbonylContact O-C 3.52Å; D480-S484 WeakPolarHBondContact O-CA 3.34Å; D480-S484 VanDerWaalsContact O-CB 3.25Å; D480-S484 WeakPolarHBondContact O-CB 3.37Å; D480-S484 PolarHBondContact O-N 2.92Å; S484-G486 PolarHBondContact O-N 2.99Å; S484-G534 WeakPolarHBondContact O-CA 3.27Å; S484-G534 PolarHBondContact O-N 3.14Å |
| 485 | Y | 77.2 | Confident | 88.5 | Confident | 89 Ų | 89 | 13.1 Ų | 13.1 | 35% | 0.349 | 7% | 0.066 | S | C | . | . | S | Bend | trans | -72.8 | 0.3 | -171.9 | -73.8 | -101 | 0 | 0 | 0 | 115.3 | H83 I533 | H83-Y485 HydrophobicContact CB-CD2 3.58Å; H83-Y485 HydrophobicContact CB-CE2 3.66Å; H83-Y485 AromaticContact CD2-CD2 3.18Å; H83-Y485 WeakPolarHBondContact CD2-CD2 3.44Å; H83-Y485 AromaticContact CD2-CE2 3.38Å; H83-Y485 WeakPolarHBondContact CD2-CE2 3.31Å; H83-Y485 AromaticContact CD2-CG 3.72Å; H83-Y485 AromaticContact CG-CD2 3.5Å; H83-Y485 VanDerWaalsContact CG-CD2 3.5Å; H83-Y485 AromaticContact CG-CE2 3.41Å; H83-Y485 VanDerWaalsContact CG-CE2 3.41Å; Y485-I533 HydrophobicContact CD2-CG2 3.88Å; Y485-I533 HydrophobicContact CE1-CG2 4Å; Y485-I533 HydrophobicContact CE2-CG2 3.26Å |
| 486 | G | 86.5 | Confident | 88.4 | Confident | 6 Ų | 6 | 12.6 Ų | 12.6 | 6% | 0.062 | 6% | 0.064 | C | C | . | . | trans | 154.1 | 141.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | D480 S484 T546 | D480-G486 CarbonylContact O-C 3.54Å; D480-G486 PolarHBondContact O-N 2.87Å; S484-G486 PolarHBondContact O-N 2.99Å; G486-T546 CarbonylContact C-O 3.58Å; G486-T546 WeakPolarHBondContact CA-O 3.44Å | ||
| 487 | S | 90.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 134.9 | 173.1 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | I477 D480 S481 T546 Y548 | I477-S487 WeakPolarHBondContact O-CB 3.34Å; I477-S487 PolarHBondContact O-OG 3.15Å; D480-S487 WeakPolarHBondContact CB-OG 3.29Å; S481-S487 WeakPolarHBondContact CB-OG 3.17Å; S481-S487 PolarHBondContact N-OG 3.1Å; S481-S487 VanDerWaalsContact N-OG 3.1Å; S481-S487 WeakPolarHBondContact OG-CB 3.3Å; S481-S487 PolarHBondContact OG-N 3.01Å; S481-S487 PolarHBondContact OG-OG 3.1Å; S487-T546 PolarHBondContact N-O 2.8Å; S487-Y548 PolarHBondContact O-N 3.26Å |
| 488 | V | 91.5 | Very high | 88 | Confident | 11 Ų | 11 | 20.5 Ų | 20.5 | 7% | 0.067 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 107 | 171.3 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | L86 Q89 V90 N93 I490 Y548 | L86-V488 HydrophobicContact CD1-CG2 3.52Å; Q89-V488 HydrophobicContact CB-CB 4.1Å; Q89-V488 HydrophobicContact CB-CG1 4.43Å; Q89-V488 HydrophobicContact CB-CG2 3.9Å; V90-V488 HydrophobicContact CG2-CG1 4.36Å; V90-V488 HydrophobicContact CG2-CG2 3.76Å; N93-V488 HydrophobicContact CB-CG1 3.89Å; N93-V488 WeakPolarHBondContact ND2-CG1 3.28Å; V488-I490 PolarHBondContact O-N 3.16Å; V488-Y548 HydrophobicContact CG2-CG 4.47Å |
| 489 | F | 91.8 | Very high | 87.9 | Confident | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | trans | -77.3 | 115.4 | -178.2 | -71.8 | -66.5 | 0 | 0 | 0 | 111.9 | N93 I477 Y478 C491 Y503 E547 Y548 | N93-F489 PolarHBondContact ND2-O 2.92Å; I477-F489 HydrophobicContact CD1-CD1 3.99Å; I477-F489 HydrophobicContact CD1-CE1 4.16Å; I477-F489 HydrophobicContact CG1-CD1 4.32Å; I477-F489 HydrophobicContact CG1-CE1 4.01Å; Y478-F489 AromaticContact CD1-CE1 3.98Å; Y478-F489 HydrophobicContact CD1-CE1 3.98Å; Y478-F489 HydrophobicContact CD1-CZ 4.27Å; Y478-F489 AromaticContact CE1-CE1 3.83Å; Y478-F489 HydrophobicContact CE1-CE1 3.83Å; Y478-F489 HydrophobicContact CE1-CZ 4.46Å; F489-C491 PolarHBondContact O-N 3.33Å; F489-Y503 HydrophobicContact CB-CD1 3.96Å; F489-Y503 HydrophobicContact CB-CD2 3.87Å; F489-Y503 HydrophobicContact CB-CE1 4.36Å; F489-Y503 HydrophobicContact CB-CE2 4.28Å; F489-Y503 HydrophobicContact CB-CG 3.7Å; F489-Y503 AromaticContact CD1-CD1 3.37Å; F489-Y503 HydrophobicContact CD1-CD1 3.37Å; F489-Y503 AromaticContact CD1-CE1 3.71Å; F489-Y503 HydrophobicContact CD1-CE1 3.71Å; F489-Y503 AromaticContact CD1-CG 3.97Å; F489-Y503 HydrophobicContact CD1-CG 3.97Å; F489-Y503 HydrophobicContact CE1-CD1 4.21Å; F489-Y503 AromaticContact CG-CD1 3.87Å; F489-Y503 HydrophobicContact CG-CD1 3.87Å; F489-Y503 HydrophobicContact CG-CE1 4.43Å; F489-Y503 AromaticContact CG-CG 3.97Å; F489-Y503 HydrophobicContact CG-CG 3.97Å; F489-E547 HydrophobicContact CD2-CB 4.28Å; F489-E547 HydrophobicContact CE2-CB 3.95Å; F489-E547 HydrophobicContact CE2-CG 3.78Å; F489-E547 WeakPolarHBondContact CE2-OE1 3.39Å; F489-Y548 PolarHBondContact N-O 3.32Å | ||
| 490 | I | 88.7 | Confident | 87.8 | Confident | 61 Ų | 61 | 23.8 Ų | 23.8 | 31% | 0.313 | 12% | 0.122 | S | C | . | . | trans | -77.1 | 116 | -164.4 | -59.6 | 178.5 | 0 | 0 | 0 | 110.8 | I477 V488 C492 Y503 | I477-I490 HydrophobicContact CD1-CG1 4.39Å; V488-I490 PolarHBondContact O-N 3.16Å; I490-C492 PolarHBondContact O-N 3.04Å; I490-C492 VanDerWaalsContact O-N 3.13Å; I490-Y503 WeakPolarHBondContact O-CE2 3.06Å; I490-Y503 PolarHBondContact O-OH 3.45Å | ||
| 491 | C | 89.7 | Confident | 88 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.027 | 12% | 0.122 | C | C | . | . | trans | -54.9 | 116 | 174.5 | -174.7 | 0 | 0 | 0 | 0 | 110.7 | N93 R96 M97 F489 | N93-C491 VanDerWaalsContact OD1-CB 3.31Å; N93-C491 WeakPolarHBondContact OD1-CB 3.13Å; N93-C491 PolarHBondContact OD1-N 2.95Å; R96-C491 HydrophobicContact CB-CB 4.3Å; R96-C491 VanDerWaalsContact CZ-O 3.3Å; R96-C491 PolarHBondContact NE-O 3.19Å; R96-C491 PolarHBondContact NH2-O 2.93Å; M97-C491 HydrophobicContact CG-CB 3.62Å; M97-C491 VanDerWaalsContact CG-SG 3.57Å; F489-C491 PolarHBondContact O-N 3.33Å | ||
| 492 | C | 90.7 | Very high | 88.3 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.02 | 12% | 0.122 | C | C | . | . | trans | -92.3 | -151.8 | 166.1 | -64.1 | 0 | 0 | 0 | 0 | 108.8 | I490 I502 | I490-C492 PolarHBondContact O-N 3.04Å; I490-C492 VanDerWaalsContact O-N 3.13Å; C492-I502 HydrophobicContact CB-CD1 3.9Å | ||
| 493 | I | 93.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -93.8 | 120 | 176.5 | -57 | -179.6 | 0 | 0 | 0 | 108.5 | A46 Q47 N49 L103 I121 L123 I709 I712 | A46-I493 VanDerWaalsContact O-CD1 3.27Å; A46-I493 WeakPolarHBondContact O-CD1 3.5Å; Q47-I493 VanDerWaalsContact CA-CD1 3.44Å; Q47-I493 HydrophobicContact CB-CD1 4.5Å; N49-I493 PolarHBondContact ND2-O 2.94Å; N49-I493 WeakPolarHBondContact OD1-CB 3.37Å; N49-I493 PolarHBondContact OD1-N 3.28Å; N49-I493 VanDerWaalsContact OD1-N 3.15Å; L103-I493 HydrophobicContact CD2-CD1 4.13Å; L103-I493 HydrophobicContact CD2-CG2 3.86Å; I121-I493 HydrophobicContact CD1-CD1 3.77Å; I121-I493 HydrophobicContact CD1-CG1 4.09Å; I121-I493 HydrophobicContact CG1-CD1 4.04Å; L123-I493 HydrophobicContact CB-CG1 4.33Å; L123-I493 HydrophobicContact CD1-CG1 4.07Å; I493-I709 HydrophobicContact CG2-CD1 3.64Å; I493-I712 HydrophobicContact CB-CG2 4.09Å; I493-I712 HydrophobicContact CG2-CG2 3.77Å |
| 494 | E | 92.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | trans | -155.4 | 163 | -174.4 | 42 | 164.6 | -170.5 | 0 | 0 | 112.4 | L496 S501 I502 R550 H713 | E494-L496 VanDerWaalsContact C-N 3.33Å; E494-L496 HydrophobicContact CG-CD2 3.97Å; E494-L496 PolarHBondContact O-N 3.42Å; E494-S501 WeakPolarHBondContact OE2-CA 3.16Å; E494-I502 HydrophobicContact CB-CG2 4.21Å; E494-I502 PolarHBondContact OE2-N 2.91Å; E494-R550 IonicContact OE1-CZ 3.98Å; E494-R550 IonicContact OE1-NE 2.74Å; E494-R550 PolarHBondContact OE1-NE 2.95Å; E494-R550 IonicContact OE1-NH2 2.82Å; E494-R550 PolarHBondContact OE1-NH2 2.71Å; E494-R550 IonicContact OE2-CZ 3.5Å; E494-R550 IonicContact OE2-NE 3.9Å; E494-R550 IonicContact OE2-NH2 2.76Å; E494-R550 PolarHBondContact OE2-NH2 3.46Å; E494-H713 HydrophobicContact CB-CB 4.3Å; E494-H713 VanDerWaalsContact CB-ND1 3.27Å; E494-H713 WeakPolarHBondContact CB-ND1 3.16Å; E494-H713 IonicContact OE2-CE1 3.51Å; E494-H713 IonicContact OE2-ND1 2.71Å | ||
| 495 | S | 91.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.007 | 13% | 0.133 | C | C | . | . | trans | -74.7 | 89.8 | 173.5 | -166.2 | 0 | 0 | 0 | 0 | 110 | Y497 D498 C499 | S495-Y497 VanDerWaalsContact C-N 3.32Å; S495-Y497 PolarHBondContact O-N 3.15Å; S495-D498 PolarHBondContact OG-OD2 3.02Å; S495-D498 VanDerWaalsContact OG-OD2 3.06Å; S495-C499 WeakPolarHBondContact O-CB 3.35Å; S495-C499 PolarHBondContact O-N 3.1Å | ||
| 496 | L | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -42.3 | -178 | -60 | 177 | 0 | 0 | 0 | 111.8 | C100 L104 E494 R550 A553 F554 | C100-L496 HydrophobicContact CB-CD1 3.98Å; L104-L496 HydrophobicContact CD1-CB 3.9Å; L104-L496 HydrophobicContact CD1-CD1 3.99Å; L104-L496 HydrophobicContact CD1-CG 3.9Å; E494-L496 VanDerWaalsContact C-N 3.33Å; E494-L496 HydrophobicContact CG-CD2 3.97Å; E494-L496 PolarHBondContact O-N 3.42Å; L496-R550 VanDerWaalsContact CD2-CD 3.44Å; L496-R550 PolarHBondContact O-NH1 2.71Å; L496-A553 VanDerWaalsContact O-CA 3.3Å; L496-A553 WeakPolarHBondContact O-CA 3.21Å; L496-F554 HydrophobicContact CB-CE1 4.3Å; L496-F554 HydrophobicContact CD1-CD1 4.29Å; L496-F554 HydrophobicContact CD1-CE1 3.65Å |
| 497 | Y | 88.3 | Confident | 89.8 | Confident | 103 Ų | 103 | 24.1 Ų | 24.1 | 40% | 0.404 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -43.9 | -174.1 | -61.6 | -79.7 | 0 | 0 | 0 | 113.1 | L104 S495 A553 F554 | L104-Y497 HydrophobicContact CB-CE2 4.05Å; L104-Y497 HydrophobicContact CD1-CD2 3.72Å; L104-Y497 HydrophobicContact CD1-CE2 3.58Å; L104-Y497 HydrophobicContact CG-CE2 4.47Å; S495-Y497 VanDerWaalsContact C-N 3.32Å; S495-Y497 PolarHBondContact O-N 3.15Å; Y497-A553 HydrophobicContact CD1-CB 4.31Å; Y497-F554 HydrophobicContact CD1-CE2 4.29Å; Y497-F554 HydrophobicContact CD1-CZ 4.28Å; Y497-F554 AromaticContact CE1-CE2 3.63Å; Y497-F554 HydrophobicContact CE1-CE2 3.63Å; Y497-F554 AromaticContact CE1-CZ 3.57Å; Y497-F554 HydrophobicContact CE1-CZ 3.57Å; Y497-F554 HydrophobicContact CE2-CZ 4.38Å; Y497-F554 AromaticContact CZ-CZ 3.62Å |
| 498 | D | 85.8 | Confident | 89.6 | Confident | 101 Ų | 101 | 25.9 Ų | 25.9 | 54% | 0.54 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -12.3 | -159 | -43 | -64.2 | 0 | 0 | 0 | 113.6 | S495 Y710 | S495-D498 PolarHBondContact OG-OD2 3.02Å; S495-D498 VanDerWaalsContact OG-OD2 3.06Å; D498-Y710 HydrophobicContact CB-CE1 3.9Å; D498-Y710 PolarHBondContact OD2-OH 3.45Å |
| 499 | C | 88.1 | Confident | 89.6 | Confident | 21 Ų | 21 | 25.7 Ų | 25.7 | 14% | 0.142 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -123.1 | 147 | -178.3 | -62 | 0 | 0 | 0 | 0 | 111 | S495 R550 | S495-C499 WeakPolarHBondContact O-CB 3.35Å; S495-C499 PolarHBondContact O-N 3.1Å; C499-R550 PolarHBondContact O-NH1 3.15Å; C499-R550 PolarHBondContact O-NH2 3.06Å |
| 500 | S | 88.7 | Confident | 89.6 | Confident | 52 Ų | 52 | 25.6 Ų | 25.6 | 36% | 0.364 | 13% | 0.129 | S | C | . | . | trans | -61.4 | 164.4 | 163.4 | 61.7 | 0 | 0 | 0 | 0 | 110.6 | Y505 R550 H713 | S500-Y505 VanDerWaalsContact OG-CE2 3.29Å; S500-Y505 WeakPolarHBondContact OG-CE2 3.28Å; S500-Y505 PolarHBondContact OG-OH 3.06Å; S500-Y505 VanDerWaalsContact OG-OH 3.06Å; S500-R550 VanDerWaalsContact C-NH2 3.26Å; S500-R550 PolarHBondContact O-NH2 3.41Å; S500-R550 VanDerWaalsContact O-NH2 3.07Å; S500-H713 PolarHBondContact O-CE1 2.88Å | ||
| 501 | S | 91.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.014 | 12% | 0.117 | C | C | . | . | trans | -53.5 | 141.4 | 176.8 | 175.7 | 0 | 0 | 0 | 0 | 112.2 | E494 Y503 S504 D549 | E494-S501 WeakPolarHBondContact OE2-CA 3.16Å; S501-Y503 PolarHBondContact O-N 3.34Å; S501-Y503 PolarHBondContact OG-N 3.06Å; S501-Y503 VanDerWaalsContact OG-N 3.11Å; S501-S504 WeakPolarHBondContact O-CB 3.38Å; S501-S504 PolarHBondContact O-N 3.27Å; S501-D549 WeakPolarHBondContact CB-OD1 3.2Å; S501-D549 VanDerWaalsContact CB-OD2 3.24Å; S501-D549 WeakPolarHBondContact CB-OD2 3.15Å; S501-D549 PolarHBondContact OG-OD1 3.2Å; S501-D549 PolarHBondContact OG-OD2 2.79Å | ||
| 502 | I | 91.8 | Very high | 90 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -25.2 | 168.3 | 56.7 | 179.3 | 0 | 0 | 0 | 112.8 | C492 E494 P506 H713 Q717 I720 | C492-I502 HydrophobicContact CB-CD1 3.9Å; E494-I502 HydrophobicContact CB-CG2 4.21Å; E494-I502 PolarHBondContact OE2-N 2.91Å; I502-P506 WeakPolarHBondContact O-CD 3.32Å; I502-H713 WeakPolarHBondContact CG2-CE1 3.33Å; I502-H713 VanDerWaalsContact CG2-ND1 3.25Å; I502-H713 WeakPolarHBondContact CG2-ND1 3.16Å; I502-Q717 HydrophobicContact CG2-CG 4.21Å; I502-I720 HydrophobicContact CB-CG1 4Å; I502-I720 HydrophobicContact CD1-CD1 3.84Å; I502-I720 HydrophobicContact CD1-CG1 3.74Å; I502-I720 HydrophobicContact CG1-CD1 4.36Å; I502-I720 HydrophobicContact CG1-CG1 3.81Å |
| 503 | Y | 91.2 | Very high | 90.1 | Very high | 11 Ų | 11 | 22.9 Ų | 22.9 | 4% | 0.043 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -14.7 | 175.7 | -61.2 | -91.3 | 0 | 0 | 0 | 114.1 | F489 I490 S501 Y505 R510 I720 | F489-Y503 HydrophobicContact CB-CD1 3.96Å; F489-Y503 HydrophobicContact CB-CD2 3.87Å; F489-Y503 HydrophobicContact CB-CE1 4.36Å; F489-Y503 HydrophobicContact CB-CE2 4.28Å; F489-Y503 HydrophobicContact CB-CG 3.7Å; F489-Y503 AromaticContact CD1-CD1 3.37Å; F489-Y503 HydrophobicContact CD1-CD1 3.37Å; F489-Y503 AromaticContact CD1-CE1 3.71Å; F489-Y503 HydrophobicContact CD1-CE1 3.71Å; F489-Y503 AromaticContact CD1-CG 3.97Å; F489-Y503 HydrophobicContact CD1-CG 3.97Å; F489-Y503 HydrophobicContact CE1-CD1 4.21Å; F489-Y503 AromaticContact CG-CD1 3.87Å; F489-Y503 HydrophobicContact CG-CD1 3.87Å; F489-Y503 HydrophobicContact CG-CE1 4.43Å; F489-Y503 AromaticContact CG-CG 3.97Å; F489-Y503 HydrophobicContact CG-CG 3.97Å; I490-Y503 WeakPolarHBondContact O-CE2 3.06Å; I490-Y503 PolarHBondContact O-OH 3.45Å; S501-Y503 PolarHBondContact O-N 3.34Å; S501-Y503 PolarHBondContact OG-N 3.06Å; S501-Y503 VanDerWaalsContact OG-N 3.11Å; Y503-Y505 VanDerWaalsContact C-N 3.27Å; Y503-Y505 PolarHBondContact O-N 3.08Å; Y503-R510 PolarHBondContact O-NH1 3.39Å; Y503-R510 PolarHBondContact O-NH2 3.31Å; Y503-I720 HydrophobicContact CD1-CD1 4.49Å; Y503-I720 HydrophobicContact CD1-CG1 4.35Å; Y503-I720 HydrophobicContact CD1-CG2 3.52Å; Y503-I720 HydrophobicContact CE1-CD1 3.83Å; Y503-I720 HydrophobicContact CE1-CG1 4.18Å; Y503-I720 HydrophobicContact CE1-CG2 3.77Å; Y503-I720 HydrophobicContact CE2-CD1 4.37Å; Y503-I720 HydrophobicContact CG-CG2 4.27Å |
| 504 | S | 87.8 | Confident | 90.1 | Very high | 27 Ų | 27 | 22.8 Ų | 22.8 | 19% | 0.189 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -22.7 | 178.9 | -80.3 | 0 | 0 | 0 | 0 | 113.1 | S501 D549 R559 | S501-S504 WeakPolarHBondContact O-CB 3.38Å; S501-S504 PolarHBondContact O-N 3.27Å; S504-D549 PolarHBondContact OG-OD2 3.08Å; S504-R559 PolarHBondContact OG-NH2 3.43Å |
| 505 | Y | 82.8 | Confident | 90.1 | Very high | 61 Ų | 61 | 23.4 Ų | 23.4 | 24% | 0.239 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -76.9 | -52.5 | -179.6 | -61.3 | -78.8 | 0 | 0 | 0 | 114.2 | S500 Y503 M507 S621 Q717 | S500-Y505 VanDerWaalsContact OG-CE2 3.29Å; S500-Y505 WeakPolarHBondContact OG-CE2 3.28Å; S500-Y505 PolarHBondContact OG-OH 3.06Å; S500-Y505 VanDerWaalsContact OG-OH 3.06Å; Y503-Y505 VanDerWaalsContact C-N 3.27Å; Y503-Y505 PolarHBondContact O-N 3.08Å; Y505-M507 PolarHBondContact O-N 2.72Å; Y505-S621 WeakPolarHBondContact CD1-O 3.11Å; Y505-S621 WeakPolarHBondContact CE1-O 3.47Å; Y505-Q717 HydrophobicContact CD2-CG 4.08Å; Y505-Q717 HydrophobicContact CE2-CG 4.29Å |
| 506 | P | 88.9 | Confident | 90.2 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.019 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 17.8 | 176.5 | 27.8 | -32.5 | 0 | 0 | 0 | 114.6 | I502 Y508 L509 R510 I720 I721 T724 | I502-P506 WeakPolarHBondContact O-CD 3.32Å; P506-Y508 PolarHBondContact O-N 3.36Å; P506-L509 HydrophobicContact CB-CB 4.48Å; P506-L509 HydrophobicContact CB-CD1 4.12Å; P506-L509 PolarHBondContact O-N 2.9Å; P506-L509 VanDerWaalsContact O-N 3.12Å; P506-R510 PolarHBondContact O-N 3.18Å; P506-I720 HydrophobicContact CG-CB 4.18Å; P506-I720 HydrophobicContact CG-CG2 3.6Å; P506-I721 HydrophobicContact CB-CG1 3.96Å; P506-I721 HydrophobicContact CG-CG1 4.18Å; P506-T724 HydrophobicContact CB-CG2 4.44Å |
| 507 | M | 88.2 | Confident | 90.2 | Very high | 42 Ų | 42 | 23.6 Ų | 23.6 | 21% | 0.207 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -54.7 | -38.3 | -179.7 | -173.8 | -172.7 | 74.7 | 0 | 0 | 112.4 | Y505 R510 S511 R559 | Y505-M507 PolarHBondContact O-N 2.72Å; M507-R510 WeakPolarHBondContact O-CB 3.29Å; M507-R510 PolarHBondContact O-N 2.89Å; M507-S511 PolarHBondContact O-N 3.36Å; M507-S511 PolarHBondContact O-OG 3.1Å; M507-R559 PolarHBondContact SD-NH1 3.49Å |
| 508 | Y | 87.3 | Confident | 90.3 | Very high | 36 Ų | 36 | 18.7 Ų | 18.7 | 14% | 0.141 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69.2 | -40.3 | 178.1 | -178.8 | -107.4 | 0 | 0 | 0 | 113.2 | P506 R510 S511 L512 Y590 L591 I976 P978 | P506-Y508 PolarHBondContact O-N 3.36Å; Y508-R510 PolarHBondContact O-N 3.5Å; Y508-S511 VanDerWaalsContact CA-OG 3.3Å; Y508-S511 WeakPolarHBondContact CA-OG 3.22Å; Y508-S511 PolarHBondContact O-N 3.45Å; Y508-S511 VanDerWaalsContact O-N 3.14Å; Y508-S511 PolarHBondContact O-OG 2.99Å; Y508-L512 HydrophobicContact CD1-CD1 4.36Å; Y508-L512 HydrophobicContact CE1-CD1 3.91Å; Y508-L512 HydrophobicContact CE1-CG 4.32Å; Y508-L512 PolarHBondContact O-N 2.71Å; Y508-Y590 VanDerWaalsContact CE1-O 3.29Å; Y508-Y590 WeakPolarHBondContact CE1-O 3.35Å; Y508-Y590 PolarHBondContact OH-O 3.4Å; Y508-Y590 VanDerWaalsContact OH-O 3.08Å; Y508-L591 HydrophobicContact CD1-CD2 4.47Å; Y508-L591 HydrophobicContact CE1-CD2 4.19Å; Y508-I976 HydrophobicContact CD1-CG2 3.66Å; Y508-I976 HydrophobicContact CD2-CG2 3.59Å; Y508-I976 HydrophobicContact CE1-CG2 4.33Å; Y508-I976 HydrophobicContact CE2-CG2 4.27Å; Y508-I976 HydrophobicContact CG-CG2 3.24Å; Y508-P978 HydrophobicContact CD2-CB 4.35Å |
| 509 | L | 91.9 | Very high | 90.5 | Very high | 7 Ų | 7 | 14 Ų | 14 | 4% | 0.037 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.3 | -36.9 | 173.3 | -57.9 | 177.4 | 0 | 0 | 0 | 110.7 | P506 L512 I513 L591 L617 I721 T724 | P506-L509 HydrophobicContact CB-CB 4.48Å; P506-L509 HydrophobicContact CB-CD1 4.12Å; P506-L509 PolarHBondContact O-N 2.9Å; P506-L509 VanDerWaalsContact O-N 3.12Å; L509-L512 PolarHBondContact O-N 3Å; L509-I513 PolarHBondContact O-N 3.49Å; L509-L591 HydrophobicContact CD2-CD1 4.34Å; L509-L591 HydrophobicContact CD2-CD2 3.42Å; L509-L591 VanDerWaalsContact CD2-CD2 3.42Å; L509-L617 HydrophobicContact CD1-CD1 4.21Å; L509-L617 HydrophobicContact CD2-CD1 4.46Å; L509-I721 HydrophobicContact CD1-CG2 4.37Å; L509-T724 HydrophobicContact CB-CG2 3.48Å; L509-T724 VanDerWaalsContact CB-CG2 3.48Å |
| 510 | R | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.5 | -42.5 | 171.7 | -69.1 | -161.3 | -56.3 | -80.9 | 6.7 | 112.6 | Y478 Y503 P506 M507 Y508 L512 I513 Y514 E547 T724 | Y478-R510 HydrophobicContact CD1-CG 4.11Å; Y478-R510 VanDerWaalsContact CE1-CD 3.5Å; Y478-R510 HydrophobicContact CE1-CG 4.01Å; Y503-R510 PolarHBondContact O-NH1 3.39Å; Y503-R510 PolarHBondContact O-NH2 3.31Å; P506-R510 PolarHBondContact O-N 3.18Å; M507-R510 WeakPolarHBondContact O-CB 3.29Å; M507-R510 PolarHBondContact O-N 2.89Å; Y508-R510 PolarHBondContact O-N 3.5Å; R510-L512 PolarHBondContact O-N 3.2Å; R510-I513 WeakPolarHBondContact O-CA 3.25Å; R510-I513 WeakPolarHBondContact O-CB 3.37Å; R510-I513 PolarHBondContact O-N 3.05Å; R510-Y514 HydrophobicContact CB-CD2 4.42Å; R510-Y514 HydrophobicContact CB-CE1 4.49Å; R510-Y514 HydrophobicContact CB-CE2 3.75Å; R510-Y514 WeakPolarHBondContact CD-OH 3.44Å; R510-Y514 PolarHBondContact NE-OH 3.19Å; R510-Y514 VanDerWaalsContact O-CD2 3.24Å; R510-Y514 WeakPolarHBondContact O-CD2 3.34Å; R510-Y514 PolarHBondContact O-N 3.35Å; R510-E547 IonicContact CZ-OE1 3.32Å; R510-E547 IonicContact CZ-OE2 3.52Å; R510-E547 IonicContact NE-OE1 3.53Å; R510-E547 PolarHBondContact NE-OE1 2.91Å; R510-E547 IonicContact NE-OE2 3.93Å; R510-E547 IonicContact NH2-OE1 3.88Å; R510-E547 PolarHBondContact NH2-OE1 3.44Å; R510-E547 IonicContact NH2-OE2 2.79Å; R510-E547 PolarHBondContact NH2-OE2 3.25Å; R510-T724 HydrophobicContact CB-CG2 4.43Å; R510-T724 HydrophobicContact CG-CG2 3.57Å |
| 511 | S | 91.7 | Very high | 90.5 | Very high | 7 Ų | 7 | 10.8 Ų | 10.8 | 5% | 0.049 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61.1 | -32.2 | 175.4 | 52 | 0 | 0 | 0 | 0 | 113.2 | M507 Y508 Y514 N515 | M507-S511 PolarHBondContact O-N 3.36Å; M507-S511 PolarHBondContact O-OG 3.1Å; Y508-S511 VanDerWaalsContact CA-OG 3.3Å; Y508-S511 WeakPolarHBondContact CA-OG 3.22Å; Y508-S511 PolarHBondContact O-N 3.45Å; Y508-S511 VanDerWaalsContact O-N 3.14Å; Y508-S511 PolarHBondContact O-OG 2.99Å; S511-Y514 PolarHBondContact O-N 2.91Å; S511-N515 WeakPolarHBondContact O-CB 3.49Å; S511-N515 PolarHBondContact O-N 3.03Å; S511-N515 PolarHBondContact O-OD1 3.38Å |
| 512 | L | 93.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 12.3 Ų | 12.3 | 2% | 0.021 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -66.2 | -42.1 | 171.7 | -63.7 | 175.1 | 0 | 0 | 0 | 112.1 | Y508 L509 R510 L516 F586 Y590 L591 L728 | Y508-L512 HydrophobicContact CD1-CD1 4.36Å; Y508-L512 HydrophobicContact CE1-CD1 3.91Å; Y508-L512 HydrophobicContact CE1-CG 4.32Å; Y508-L512 PolarHBondContact O-N 2.71Å; L509-L512 PolarHBondContact O-N 3Å; R510-L512 PolarHBondContact O-N 3.2Å; L512-L516 WeakPolarHBondContact O-CB 3.42Å; L512-L516 VanDerWaalsContact O-CG 3.3Å; L512-L516 WeakPolarHBondContact O-CG 3.47Å; L512-L516 PolarHBondContact O-N 2.76Å; L512-F586 HydrophobicContact CD2-CZ 4.35Å; L512-Y590 HydrophobicContact CD2-CD1 3.75Å; L512-Y590 HydrophobicContact CD2-CD2 4.26Å; L512-Y590 HydrophobicContact CD2-CE1 4.36Å; L512-Y590 HydrophobicContact CD2-CG 3.7Å; L512-L591 HydrophobicContact CD1-CD2 3.7Å; L512-L728 HydrophobicContact CB-CD1 4.05Å; L512-L728 HydrophobicContact CB-CD2 4.26Å; L512-L728 HydrophobicContact CD1-CD2 4.12Å |
| 513 | I | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59 | -49.8 | 172.6 | -66.6 | 167.5 | 0 | 0 | 0 | 110.3 | Y478 L509 R510 N515 L516 I517 T724 T727 L728 L731 | Y478-I513 HydrophobicContact CD2-CD1 3.88Å; Y478-I513 HydrophobicContact CE2-CD1 4.28Å; Y478-I513 HydrophobicContact CG-CD1 4.45Å; L509-I513 PolarHBondContact O-N 3.49Å; R510-I513 WeakPolarHBondContact O-CA 3.25Å; R510-I513 WeakPolarHBondContact O-CB 3.37Å; R510-I513 PolarHBondContact O-N 3.05Å; I513-N515 PolarHBondContact O-N 2.85Å; I513-L516 PolarHBondContact O-N 2.93Å; I513-I517 HydrophobicContact CG2-CD1 3.72Å; I513-I517 WeakPolarHBondContact O-CD1 3.24Å; I513-I517 VanDerWaalsContact O-CG1 3.28Å; I513-I517 WeakPolarHBondContact O-CG1 3.35Å; I513-I517 PolarHBondContact O-N 2.88Å; I513-T724 HydrophobicContact CD1-CG2 3.69Å; I513-T727 HydrophobicContact CD1-CG2 4.13Å; I513-L728 HydrophobicContact CD1-CB 4.21Å; I513-L728 HydrophobicContact CG1-CB 3.88Å; I513-L728 HydrophobicContact CG1-CD1 3.99Å; I513-L728 HydrophobicContact CG1-CG 4.5Å; I513-L731 HydrophobicContact CB-CD2 4.5Å; I513-L731 HydrophobicContact CG2-CD2 4.13Å |
| 514 | Y | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.6 | -47.4 | -178.5 | -55.7 | -36.3 | 0 | 0 | 0 | 111.9 | Y478 I482 R510 S511 L516 I517 L518 I545 E547 V561 V563 | Y478-Y514 WeakPolarHBondContact O-CD1 3.43Å; Y478-Y514 VanDerWaalsContact O-CE1 3.28Å; Y478-Y514 WeakPolarHBondContact O-CE1 3.28Å; I482-Y514 HydrophobicContact CD1-CD1 4.15Å; I482-Y514 HydrophobicContact CD1-CG 4.48Å; R510-Y514 HydrophobicContact CB-CD2 4.42Å; R510-Y514 HydrophobicContact CB-CE1 4.49Å; R510-Y514 HydrophobicContact CB-CE2 3.75Å; R510-Y514 WeakPolarHBondContact CD-OH 3.44Å; R510-Y514 PolarHBondContact NE-OH 3.19Å; R510-Y514 VanDerWaalsContact O-CD2 3.24Å; R510-Y514 WeakPolarHBondContact O-CD2 3.34Å; R510-Y514 PolarHBondContact O-N 3.35Å; S511-Y514 PolarHBondContact O-N 2.91Å; Y514-L516 PolarHBondContact O-N 2.89Å; Y514-I517 PolarHBondContact O-N 2.99Å; Y514-L518 WeakPolarHBondContact O-CG 3.04Å; Y514-L518 PolarHBondContact O-N 2.99Å; Y514-I545 HydrophobicContact CD1-CD1 3.8Å; Y514-I545 HydrophobicContact CD2-CD1 3.31Å; Y514-I545 HydrophobicContact CD2-CG1 4.36Å; Y514-I545 HydrophobicContact CE1-CD1 4.03Å; Y514-I545 HydrophobicContact CE2-CD1 3.58Å; Y514-I545 HydrophobicContact CG-CD1 3.44Å; Y514-I545 VanDerWaalsContact CG-CD1 3.44Å; Y514-E547 WeakPolarHBondContact CE2-OE1 3.1Å; Y514-E547 PolarHBondContact OH-OE1 3.19Å; Y514-V561 HydrophobicContact CD2-CG1 4.32Å; Y514-V561 HydrophobicContact CE2-CG1 4.38Å; Y514-V563 HydrophobicContact CD2-CG1 4.2Å; Y514-V563 HydrophobicContact CG-CG1 4.47Å |
| 515 | N | 92.9 | Very high | 89.3 | Confident | 13 Ų | 13 | 18.4 Ų | 18.4 | 7% | 0.07 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.1 | -38.4 | -179.1 | -73.3 | 6.9 | 0 | 0 | 0 | 112.2 | S511 I513 L518 G519 V563 E564 I566 | S511-N515 WeakPolarHBondContact O-CB 3.49Å; S511-N515 PolarHBondContact O-N 3.03Å; S511-N515 PolarHBondContact O-OD1 3.38Å; I513-N515 PolarHBondContact O-N 2.85Å; N515-L518 PolarHBondContact O-N 3.01Å; N515-G519 PolarHBondContact O-N 3Å; N515-V563 WeakPolarHBondContact OD1-CA 3.48Å; N515-V563 WeakPolarHBondContact OD1-CB 3.48Å; N515-V563 WeakPolarHBondContact OD1-CG1 3.29Å; N515-E564 VanDerWaalsContact CA-O 3.27Å; N515-E564 WeakPolarHBondContact CA-O 3.3Å; N515-E564 WeakPolarHBondContact CB-O 3.41Å; N515-E564 PolarHBondContact OD1-N 3.48Å; N515-E564 VanDerWaalsContact OD1-N 3.08Å; N515-E564 PolarHBondContact OD1-O 3.36Å; N515-I566 HydrophobicContact CB-CB 4.04Å; N515-I566 HydrophobicContact CB-CD1 3.65Å; N515-I566 HydrophobicContact CB-CG1 3.81Å; N515-I566 WeakPolarHBondContact ND2-CD1 3.27Å; N515-I566 PolarHBondContact O-N 3Å |
| 516 | L | 92.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.7 | -42 | 172.6 | -78.7 | 170.2 | 0 | 0 | 0 | 112.1 | L512 I513 Y514 G519 I520 I566 F586 L728 L731 L732 L735 | L512-L516 WeakPolarHBondContact O-CB 3.42Å; L512-L516 VanDerWaalsContact O-CG 3.3Å; L512-L516 WeakPolarHBondContact O-CG 3.47Å; L512-L516 PolarHBondContact O-N 2.76Å; I513-L516 PolarHBondContact O-N 2.93Å; Y514-L516 PolarHBondContact O-N 2.89Å; L516-G519 WeakPolarHBondContact O-CA 3.4Å; L516-G519 PolarHBondContact O-N 3.1Å; L516-I520 WeakPolarHBondContact O-CG1 3.31Å; L516-I520 PolarHBondContact O-N 3.33Å; L516-I520 VanDerWaalsContact O-N 3.08Å; L516-I566 HydrophobicContact CD2-CG2 4.42Å; L516-F586 HydrophobicContact CD1-CE1 4.14Å; L516-F586 HydrophobicContact CD1-CE2 4.28Å; L516-F586 HydrophobicContact CD1-CZ 3.69Å; L516-F586 HydrophobicContact CD2-CE2 3.74Å; L516-F586 HydrophobicContact CD2-CZ 3.98Å; L516-F586 HydrophobicContact CG-CE2 4.17Å; L516-F586 HydrophobicContact CG-CZ 3.89Å; L516-L728 HydrophobicContact CD1-CD1 3.62Å; L516-L731 HydrophobicContact CB-CD2 3.68Å; L516-L731 HydrophobicContact CB-CG 4.37Å; L516-L731 HydrophobicContact CD1-CD2 4.01Å; L516-L731 HydrophobicContact CD1-CG 4.34Å; L516-L732 HydrophobicContact CD1-CD2 3.86Å; L516-L732 HydrophobicContact CD1-CG 4.29Å; L516-L732 HydrophobicContact CD2-CD2 4.48Å; L516-L735 HydrophobicContact CD2-CD1 4.07Å |
| 517 | I | 91.5 | Very high | 88.6 | Confident | 4 Ų | 4 | 22.2 Ų | 22.2 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 174.5 | -66.6 | 159.4 | 0 | 0 | 0 | 110.1 | L479 I482 I513 Y514 G519 I520 E521 L731 | L479-I517 HydrophobicContact CD2-CD1 3.47Å; L479-I517 VanDerWaalsContact CD2-CD1 3.47Å; L479-I517 HydrophobicContact CD2-CG1 4.47Å; I482-I517 HydrophobicContact CD1-CB 3.83Å; I482-I517 HydrophobicContact CD1-CD1 4.09Å; I482-I517 HydrophobicContact CD1-CG2 3.73Å; I513-I517 HydrophobicContact CG2-CD1 3.72Å; I513-I517 WeakPolarHBondContact O-CD1 3.24Å; I513-I517 VanDerWaalsContact O-CG1 3.28Å; I513-I517 WeakPolarHBondContact O-CG1 3.35Å; I513-I517 PolarHBondContact O-N 2.88Å; Y514-I517 PolarHBondContact O-N 2.99Å; I517-G519 PolarHBondContact O-N 3.48Å; I517-I520 WeakPolarHBondContact O-CA 3.3Å; I517-I520 WeakPolarHBondContact O-CB 3.28Å; I517-I520 PolarHBondContact O-N 2.95Å; I517-E521 HydrophobicContact CG2-CG 4.19Å; I517-E521 WeakPolarHBondContact O-CG 3.13Å; I517-E521 PolarHBondContact O-N 2.78Å; I517-L731 HydrophobicContact CG1-CD2 4.08Å |
| 518 | L | 91.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.3 | -30.7 | 175.6 | -64.2 | -179.4 | 0 | 0 | 0 | 112.8 | I482 Y514 N515 E521 S522 Y528 L532 L535 V563 P565 | I482-L518 HydrophobicContact CD1-CD2 4.42Å; I482-L518 HydrophobicContact CD1-CG 4.42Å; I482-L518 HydrophobicContact CG2-CD2 3.9Å; Y514-L518 WeakPolarHBondContact O-CG 3.04Å; Y514-L518 PolarHBondContact O-N 2.99Å; N515-L518 PolarHBondContact O-N 3.01Å; L518-E521 PolarHBondContact O-N 2.9Å; L518-S522 VanDerWaalsContact O-CB 3.32Å; L518-S522 WeakPolarHBondContact O-CB 3.17Å; L518-S522 PolarHBondContact O-N 2.9Å; L518-S522 PolarHBondContact O-OG 2.82Å; L518-Y528 HydrophobicContact CD2-CD2 4.16Å; L518-Y528 HydrophobicContact CD2-CE2 4.42Å; L518-L532 HydrophobicContact CD2-CD1 3.61Å; L518-L535 HydrophobicContact CD1-CD1 3.91Å; L518-L535 HydrophobicContact CD2-CD1 4.15Å; L518-L535 HydrophobicContact CD2-CD2 4.22Å; L518-V563 HydrophobicContact CD1-CB 3.69Å; L518-V563 HydrophobicContact CD1-CG2 3.55Å; L518-P565 HydrophobicContact CB-CB 4.28Å; L518-P565 HydrophobicContact CB-CG 4.18Å |
| 519 | G | 90.2 | Very high | 87.8 | Confident | 3 Ų | 3 | 22.7 Ų | 22.7 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.3 | -46.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N515 L516 I517 S522 T523 I566 | N515-G519 PolarHBondContact O-N 3Å; L516-G519 WeakPolarHBondContact O-CA 3.4Å; L516-G519 PolarHBondContact O-N 3.1Å; I517-G519 PolarHBondContact O-N 3.48Å; G519-S522 PolarHBondContact O-OG 2.6Å; G519-S522 VanDerWaalsContact O-OG 3.06Å; G519-T523 WeakPolarHBondContact O-CB 3.25Å; G519-T523 WeakPolarHBondContact O-CG2 3.27Å; G519-T523 PolarHBondContact O-N 3.11Å; G519-T523 PolarHBondContact O-OG1 3.06Å; G519-I566 WeakPolarHBondContact CA-O 3.43Å |
| 520 | I | 88.8 | Confident | 87.1 | Confident | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.3 | -43.6 | 176.6 | -59.7 | 161.4 | 0 | 0 | 0 | 110.9 | L465 L516 I517 S522 T523 I524 T525 L731 L735 | L465-I520 HydrophobicContact CD2-CD1 3.9Å; L465-I520 HydrophobicContact CD2-CG2 4.48Å; L516-I520 WeakPolarHBondContact O-CG1 3.31Å; L516-I520 PolarHBondContact O-N 3.33Å; L516-I520 VanDerWaalsContact O-N 3.08Å; I517-I520 WeakPolarHBondContact O-CA 3.3Å; I517-I520 WeakPolarHBondContact O-CB 3.28Å; I517-I520 PolarHBondContact O-N 2.95Å; I520-S522 VanDerWaalsContact C-N 3.29Å; I520-S522 PolarHBondContact O-N 3.15Å; I520-T523 PolarHBondContact O-N 2.66Å; I520-I524 HydrophobicContact CG2-CB 4.41Å; I520-I524 HydrophobicContact CG2-CD1 4.24Å; I520-I524 PolarHBondContact O-N 3.05Å; I520-T525 HydrophobicContact CG2-CG2 4.48Å; I520-T525 PolarHBondContact O-N 2.65Å; I520-L731 HydrophobicContact CD1-CD1 4.04Å; I520-L735 HydrophobicContact CD1-CD1 4.22Å; I520-L735 HydrophobicContact CD1-CD2 3.48Å; I520-L735 VanDerWaalsContact CD1-CD2 3.48Å; I520-L735 HydrophobicContact CD1-CG 4.15Å; I520-L735 HydrophobicContact CG1-CD2 3.5Å |
| 521 | E | 88.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70 | -24.3 | -178 | -60.4 | -60.6 | 160.5 | 0 | 0 | 113.8 | W461 I517 L518 T525 L526 R527 Y528 L532 | W461-E521 PolarHBondContact NE1-OE1 3.34Å; I517-E521 HydrophobicContact CG2-CG 4.19Å; I517-E521 WeakPolarHBondContact O-CG 3.13Å; I517-E521 PolarHBondContact O-N 2.78Å; L518-E521 PolarHBondContact O-N 2.9Å; E521-T525 VanDerWaalsContact CA-OG1 3.27Å; E521-T525 WeakPolarHBondContact CA-OG1 3.37Å; E521-T525 PolarHBondContact O-OG1 3.23Å; E521-T525 VanDerWaalsContact O-OG1 3.11Å; E521-T525 WeakPolarHBondContact OE2-CB 3.48Å; E521-T525 VanDerWaalsContact OE2-CG2 3.29Å; E521-T525 WeakPolarHBondContact OE2-CG2 3.26Å; E521-T525 PolarHBondContact OE2-OG1 3.43Å; E521-L526 PolarHBondContact O-N 2.86Å; E521-R527 VanDerWaalsContact CD-NH2 3.26Å; E521-R527 PolarHBondContact O-N 2.73Å; E521-R527 VanDerWaalsContact O-N 3.09Å; E521-R527 IonicContact OE1-CZ 3.25Å; E521-R527 IonicContact OE1-NE 2.96Å; E521-R527 IonicContact OE1-NH2 2.71Å; E521-R527 PolarHBondContact OE1-NH2 2.83Å; E521-R527 IonicContact OE2-CZ 3.76Å; E521-R527 VanDerWaalsContact OE2-CZ 3.27Å; E521-R527 IonicContact OE2-NE 2.81Å; E521-R527 PolarHBondContact OE2-NE 3.19Å; E521-R527 IonicContact OE2-NH2 3.15Å; E521-R527 PolarHBondContact OE2-NH2 3.44Å; E521-Y528 PolarHBondContact O-N 3.28Å; E521-L532 HydrophobicContact CB-CD1 3.76Å; E521-L532 HydrophobicContact CB-CD2 4.21Å; E521-L532 HydrophobicContact CG-CD1 4.03Å; E521-L532 HydrophobicContact CG-CD2 3.85Å |
| 522 | S | 87.2 | Confident | 86.2 | Confident | 34 Ų | 34 | 34.3 Ų | 34.3 | 24% | 0.238 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -89.3 | -19.2 | 175.9 | 56.1 | 0 | 0 | 0 | 0 | 114.3 | L518 G519 I520 P565 | L518-S522 VanDerWaalsContact O-CB 3.32Å; L518-S522 WeakPolarHBondContact O-CB 3.17Å; L518-S522 PolarHBondContact O-N 2.9Å; L518-S522 PolarHBondContact O-OG 2.82Å; G519-S522 PolarHBondContact O-OG 2.6Å; G519-S522 VanDerWaalsContact O-OG 3.06Å; I520-S522 VanDerWaalsContact C-N 3.29Å; I520-S522 PolarHBondContact O-N 3.15Å; S522-P565 WeakPolarHBondContact OG-CB 3.35Å |
| 523 | T | 85.4 | Confident | 85.7 | Confident | 62 Ų | 62 | 38.7 Ų | 38.7 | 38% | 0.38 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -110.5 | -37.8 | -174.8 | 53.9 | 0 | 0 | 0 | 0 | 114.6 | G519 I520 Q567 | G519-T523 WeakPolarHBondContact O-CB 3.25Å; G519-T523 WeakPolarHBondContact O-CG2 3.27Å; G519-T523 PolarHBondContact O-N 3.11Å; G519-T523 PolarHBondContact O-OG1 3.06Å; I520-T523 PolarHBondContact O-N 2.66Å; T523-Q567 HydrophobicContact CG2-CG 4.04Å; T523-Q567 VanDerWaalsContact CG2-NE2 3.31Å |
| 524 | I | 82.1 | Confident | 85.3 | Confident | 89 Ų | 89 | 38.7 Ų | 38.7 | 46% | 0.456 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -44 | -168.7 | -67.8 | 162.1 | 0 | 0 | 0 | 111.4 | P462 I520 | P462-I524 HydrophobicContact CG-CD1 4.02Å; P462-I524 HydrophobicContact CG-CG2 4.25Å; I520-I524 HydrophobicContact CG2-CB 4.41Å; I520-I524 HydrophobicContact CG2-CD1 4.24Å; I520-I524 PolarHBondContact O-N 3.05Å |
| 525 | T | 81 | Confident | 85.1 | Confident | 15 Ų | 15 | 39.5 Ų | 39.5 | 9% | 0.092 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -90.9 | -21.6 | -176.9 | 76.8 | 0 | 0 | 0 | 0 | 113.1 | I520 E521 R527 | I520-T525 HydrophobicContact CG2-CG2 4.48Å; I520-T525 PolarHBondContact O-N 2.65Å; E521-T525 VanDerWaalsContact CA-OG1 3.27Å; E521-T525 WeakPolarHBondContact CA-OG1 3.37Å; E521-T525 PolarHBondContact O-OG1 3.23Å; E521-T525 VanDerWaalsContact O-OG1 3.11Å; E521-T525 WeakPolarHBondContact OE2-CB 3.48Å; E521-T525 VanDerWaalsContact OE2-CG2 3.29Å; E521-T525 WeakPolarHBondContact OE2-CG2 3.26Å; E521-T525 PolarHBondContact OE2-OG1 3.43Å; T525-R527 PolarHBondContact O-N 2.88Å; T525-R527 WeakPolarHBondContact OG1-CB 3.21Å; T525-R527 WeakPolarHBondContact OG1-CG 3.31Å; T525-R527 PolarHBondContact OG1-N 2.58Å |
| 526 | L | 79.4 | Confident | 84.9 | Confident | 134 Ų | 134 | 42 Ų | 42 | 70% | 0.702 | 22% | 0.218 | S | C | * | . | trans | 53.8 | 27 | -172.2 | -53.9 | 176.5 | 0 | 0 | 0 | 113.5 | E521 | E521-L526 PolarHBondContact O-N 2.86Š| ||
| 527 | R | 78.3 | Confident | 84.7 | Confident | 11 Ų | 11 | 47.2 Ų | 47.2 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | trans | -83.2 | -19.8 | 177.8 | -71.5 | -162.6 | -66.8 | -160.9 | -0.7 | 113.7 | V457 Y460 E521 T525 P529 D530 Q531 L532 | V457-R527 PolarHBondContact O-NH1 2.96Å; V457-R527 PolarHBondContact O-NH2 3.12Å; Y460-R527 HydrophobicContact CD2-CG 4.28Å; E521-R527 VanDerWaalsContact CD-NH2 3.26Å; E521-R527 PolarHBondContact O-N 2.73Å; E521-R527 VanDerWaalsContact O-N 3.09Å; E521-R527 IonicContact OE1-CZ 3.25Å; E521-R527 IonicContact OE1-NE 2.96Å; E521-R527 IonicContact OE1-NH2 2.71Å; E521-R527 PolarHBondContact OE1-NH2 2.83Å; E521-R527 IonicContact OE2-CZ 3.76Å; E521-R527 VanDerWaalsContact OE2-CZ 3.27Å; E521-R527 IonicContact OE2-NE 2.81Å; E521-R527 PolarHBondContact OE2-NE 3.19Å; E521-R527 IonicContact OE2-NH2 3.15Å; E521-R527 PolarHBondContact OE2-NH2 3.44Å; T525-R527 PolarHBondContact O-N 2.88Å; T525-R527 WeakPolarHBondContact OG1-CB 3.21Å; T525-R527 WeakPolarHBondContact OG1-CG 3.31Å; T525-R527 PolarHBondContact OG1-N 2.58Å; R527-P529 CarbonylContact O-C 3.6Å; R527-D530 PolarHBondContact O-N 3.11Å; R527-Q531 HydrophobicContact CB-CB 3.96Å; R527-Q531 HydrophobicContact CG-CB 4.21Å; R527-Q531 PolarHBondContact O-N 3.05Å; R527-L532 HydrophobicContact CB-CD2 4.09Å | ||
| 528 | Y | 81.5 | Confident | 84.3 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 24% | 0.239 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 134.1 | -179.5 | 178.3 | -86.8 | 0 | 0 | 0 | 111.9 | L518 E521 L532 L535 Y543 P565 | L518-Y528 HydrophobicContact CD2-CD2 4.16Å; L518-Y528 HydrophobicContact CD2-CE2 4.42Å; E521-Y528 PolarHBondContact O-N 3.28Å; Y528-L532 HydrophobicContact CD2-CD1 4.01Å; Y528-L535 HydrophobicContact CD2-CD2 3.69Å; Y528-L535 HydrophobicContact CE2-CD2 3.49Å; Y528-L535 VanDerWaalsContact CE2-CD2 3.49Å; Y528-Y543 VanDerWaalsContact OH-CD2 3.28Å; Y528-Y543 WeakPolarHBondContact OH-CD2 3.16Å; Y528-Y543 WeakPolarHBondContact OH-CE2 3.33Å; Y528-P565 HydrophobicContact CD2-CG 4.29Å; Y528-P565 HydrophobicContact CE1-CG 4.2Å; Y528-P565 HydrophobicContact CE2-CG 3.73Å |
| 529 | P | 77.6 | Confident | 83.9 | Confident | 26 Ų | 26 | 56 Ų | 56 | 17% | 0.169 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -90.2 | -27.2 | -5.9 | 34.1 | -31.4 | 0 | 0 | 0 | 113.2 | R527 Q531 L532 L535 Y543 | R527-P529 CarbonylContact O-C 3.6Å; P529-Q531 VanDerWaalsContact C-N 3.33Å; P529-Q531 PolarHBondContact O-N 2.8Å; P529-L532 PolarHBondContact O-N 3.41Å; P529-L532 VanDerWaalsContact O-N 3.09Å; P529-L535 HydrophobicContact CB-CD2 4Å; P529-Y543 HydrophobicContact CB-CD1 4.47Å; P529-Y543 HydrophobicContact CB-CE1 3.68Å; P529-Y543 HydrophobicContact CG-CE1 4.27Å |
| 530 | D | 76.8 | Confident | 83.3 | Confident | 152 Ų | 152 | 63.9 Ų | 63.9 | 81% | 0.813 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -15.5 | -153.3 | -55.4 | -58.6 | 0 | 0 | 0 | 115.6 | R527 | R527-D530 PolarHBondContact O-N 3.11Š|
| 531 | Q | 79.6 | Confident | 82.8 | Confident | 102 Ų | 102 | 71.1 Ų | 71.1 | 48% | 0.477 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 0.4 | 175.5 | -58.2 | -176.6 | 21.8 | 0 | 0 | 113.2 | R527 P529 I533 | R527-Q531 HydrophobicContact CB-CB 3.96Å; R527-Q531 HydrophobicContact CG-CB 4.21Å; R527-Q531 PolarHBondContact O-N 3.05Å; P529-Q531 VanDerWaalsContact C-N 3.33Å; P529-Q531 PolarHBondContact O-N 2.8Å; Q531-I533 PolarHBondContact O-N 3.2Å |
| 532 | L | 84.1 | Confident | 82.7 | Confident | 4 Ų | 4 | 72.9 Ų | 72.9 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | trans | -98.6 | 85.1 | -178.9 | -55.5 | 179.6 | 0 | 0 | 0 | 110 | I482 L483 L518 E521 R527 Y528 P529 G534 L535 | I482-L532 HydrophobicContact CG2-CB 4.35Å; I482-L532 HydrophobicContact CG2-CD1 4.28Å; I482-L532 HydrophobicContact CG2-CD2 4.38Å; I482-L532 CarbonylContact O-C 3.17Å; L483-L532 HydrophobicContact CD2-CD2 4.09Å; L518-L532 HydrophobicContact CD2-CD1 3.61Å; E521-L532 HydrophobicContact CB-CD1 3.76Å; E521-L532 HydrophobicContact CB-CD2 4.21Å; E521-L532 HydrophobicContact CG-CD1 4.03Å; E521-L532 HydrophobicContact CG-CD2 3.85Å; R527-L532 HydrophobicContact CB-CD2 4.09Å; Y528-L532 HydrophobicContact CD2-CD1 4.01Å; P529-L532 PolarHBondContact O-N 3.41Å; P529-L532 VanDerWaalsContact O-N 3.09Å; L532-G534 PolarHBondContact O-N 2.96Å; L532-L535 HydrophobicContact CB-CB 3.89Å; L532-L535 HydrophobicContact CB-CD2 4.45Å; L532-L535 HydrophobicContact CD1-CD2 4.18Å; L532-L535 VanDerWaalsContact O-CB 3.26Å; L532-L535 WeakPolarHBondContact O-CB 3.38Å; L532-L535 PolarHBondContact O-N 2.83Å | ||
| 533 | I | 83.3 | Confident | 82.8 | Confident | 96 Ų | 96 | 72.5 Ų | 72.5 | 49% | 0.492 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.2 | -166.1 | -56.9 | 174.1 | 0 | 0 | 0 | 113.8 | Y485 Q531 | Y485-I533 HydrophobicContact CD2-CG2 3.88Å; Y485-I533 HydrophobicContact CE1-CG2 4Å; Y485-I533 HydrophobicContact CE2-CG2 3.26Å; Q531-I533 PolarHBondContact O-N 3.2Å |
| 534 | G | 85.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -21.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S481 I482 S484 L532 K536 | S481-G534 CarbonylContact O-C 3.59Å; S481-G534 WeakPolarHBondContact O-CA 3.41Å; I482-G534 WeakPolarHBondContact O-CA 3.36Å; I482-G534 PolarHBondContact O-N 3.01Å; S484-G534 WeakPolarHBondContact O-CA 3.27Å; S484-G534 PolarHBondContact O-N 3.14Å; L532-G534 PolarHBondContact O-N 2.96Å; G534-K536 PolarHBondContact O-N 3.01Å |
| 535 | L | 89.7 | Confident | 83.6 | Confident | 18 Ų | 18 | 67 Ų | 67 | 9% | 0.094 | 33% | 0.326 | C | S | . | . | trans | -81 | 104.6 | -176.6 | -170.4 | 72.9 | 0 | 0 | 0 | 110.7 | L518 Y528 P529 L532 Y543 I545 V563 | L518-L535 HydrophobicContact CD1-CD1 3.91Å; L518-L535 HydrophobicContact CD2-CD1 4.15Å; L518-L535 HydrophobicContact CD2-CD2 4.22Å; Y528-L535 HydrophobicContact CD2-CD2 3.69Å; Y528-L535 HydrophobicContact CE2-CD2 3.49Å; Y528-L535 VanDerWaalsContact CE2-CD2 3.49Å; P529-L535 HydrophobicContact CB-CD2 4Å; L532-L535 HydrophobicContact CB-CB 3.89Å; L532-L535 HydrophobicContact CB-CD2 4.45Å; L532-L535 HydrophobicContact CD1-CD2 4.18Å; L532-L535 VanDerWaalsContact O-CB 3.26Å; L532-L535 WeakPolarHBondContact O-CB 3.38Å; L532-L535 PolarHBondContact O-N 2.83Å; L535-Y543 HydrophobicContact CD1-CG 4.35Å; L535-Y543 HydrophobicContact CD2-CD1 3.91Å; L535-Y543 HydrophobicContact CD2-CE1 4.47Å; L535-Y543 HydrophobicContact CD2-CG 4.18Å; L535-Y543 HydrophobicContact CG-CD1 3.83Å; L535-Y543 HydrophobicContact CG-CG 4.14Å; L535-I545 HydrophobicContact CD1-CG2 3.94Å; L535-V563 HydrophobicContact CD1-CG2 3.66Å | ||
| 536 | K | 89.3 | Confident | 84.1 | Confident | 64 Ų | 64 | 66.5 Ų | 66.5 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 140.7 | -178.8 | -66.8 | 171.2 | -171.4 | 163.4 | 0 | 110.6 | G534 Y543 Y544 T546 | G534-K536 PolarHBondContact O-N 3.01Å; K536-Y543 CarbonylContact O-C 3.51Å; K536-Y543 VanDerWaalsContact O-CA 3.29Å; K536-Y543 WeakPolarHBondContact O-CA 3.36Å; K536-Y544 HydrophobicContact CB-CD1 4.02Å; K536-Y544 HydrophobicContact CB-CD2 4.34Å; K536-Y544 HydrophobicContact CB-CE1 3.55Å; K536-Y544 HydrophobicContact CB-CE2 3.88Å; K536-Y544 HydrophobicContact CB-CG 4.42Å; K536-Y544 VanDerWaalsContact CB-CZ 3.48Å; K536-Y544 HydrophobicContact CD-CE2 3.96Å; K536-Y544 PolarHBondContact N-O 3.07Å; K536-Y544 VanDerWaalsContact O-CD1 3.29Å; K536-Y544 WeakPolarHBondContact O-CD1 3.3Å; K536-Y544 PolarHBondContact O-N 3.13Å; K536-T546 PolarHBondContact NZ-OG1 3.47Å |
| 537 | K | 88.3 | Confident | 84.8 | Confident | 112 Ų | 112 | 60.1 Ų | 60.1 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 132.1 | 179 | -162.1 | 154.4 | -172.3 | 162.7 | 0 | 110.1 | N539 Q540 Y543 | K537-N539 WeakPolarHBondContact CE-O 3.3Å; K537-N539 WeakPolarHBondContact CG-O 3.42Å; K537-Q540 VanDerWaalsContact CE-C 3.44Å; K537-Q540 WeakPolarHBondContact CE-O 3.5Å; K537-Q540 PolarHBondContact NZ-O 3.25Å; K537-Y543 HydrophobicContact CB-CD1 4.17Å; K537-Y543 HydrophobicContact CB-CE1 4.04Å; K537-Y543 HydrophobicContact CD-CE1 3.92Å; K537-Y543 HydrophobicContact CG-CD1 4.32Å; K537-Y543 HydrophobicContact CG-CE1 3.96Å; K537-Y543 PolarHBondContact NZ-OH 2.82Å |
| 538 | W | 81.9 | Confident | 85.4 | Confident | 106 Ų | 106 | 61.8 Ų | 61.8 | 40% | 0.402 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -96.2 | -44.7 | 175.2 | 174.1 | -117.2 | 0 | 0 | 0 | 111.5 | S542 Y544 Y562 | W538-S542 PolarHBondContact N-O 3.31Å; W538-Y544 HydrophobicContact CB-CD1 3.96Å; W538-Y544 HydrophobicContact CB-CE1 4.47Å; W538-Y562 HydrophobicContact CB-CD1 4.49Å; W538-Y562 HydrophobicContact CB-CE1 4.09Å; W538-Y562 AromaticContact CD1-CE1 3.8Å; W538-Y562 AromaticContact CD2-CE1 3.91Å; W538-Y562 HydrophobicContact CD2-CE1 3.91Å; W538-Y562 HydrophobicContact CG-CD1 4.43Å; W538-Y562 AromaticContact CG-CE1 3.67Å; W538-Y562 HydrophobicContact CG-CE1 3.67Å |
| 539 | N | 83.5 | Confident | 85.8 | Confident | 81 Ų | 81 | 59 Ų | 59 | 43% | 0.433 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -147.6 | -172.5 | 170.3 | 66.5 | 26.2 | 0 | 0 | 0 | 109.1 | K537 L541 S542 | K537-N539 WeakPolarHBondContact CE-O 3.3Å; K537-N539 WeakPolarHBondContact CG-O 3.42Å; N539-L541 PolarHBondContact O-N 2.93Å; N539-L541 PolarHBondContact OD1-N 2.93Å; N539-L541 VanDerWaalsContact OD1-N 3.1Å; N539-S542 PolarHBondContact N-O 2.59Å; N539-S542 PolarHBondContact ND2-OG 2.81Å; N539-S542 PolarHBondContact O-N 3.04Å; N539-S542 PolarHBondContact OD1-N 3.19Å; N539-S542 PolarHBondContact OD1-OG 3.15Å |
| 540 | Q | 77.4 | Confident | 86.4 | Confident | 169 Ų | 169 | 58.1 Ų | 58.1 | 79% | 0.79 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -52.3 | -29.4 | -175.5 | -69.5 | -176.6 | -8.8 | 0 | 0 | 115.1 | K537 | K537-Q540 VanDerWaalsContact CE-C 3.44Å; K537-Q540 WeakPolarHBondContact CE-O 3.5Å; K537-Q540 PolarHBondContact NZ-O 3.25Å |
| 541 | L | 79.5 | Confident | 86.8 | Confident | 158 Ų | 158 | 57.8 Ų | 57.8 | 83% | 0.827 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -119.9 | -9.9 | -171.9 | -63.3 | 175.7 | 0 | 0 | 0 | 115.2 | N539 | N539-L541 PolarHBondContact O-N 2.93Å; N539-L541 PolarHBondContact OD1-N 2.93Å; N539-L541 VanDerWaalsContact OD1-N 3.1Å |
| 542 | S | 84.3 | Confident | 86.9 | Confident | 37 Ų | 37 | 55.1 Ų | 55.1 | 26% | 0.259 | 27% | 0.27 | S | S | . | . | trans | -126.9 | 147.7 | -172.8 | 62.2 | 0 | 0 | 0 | 0 | 113.2 | W538 N539 | W538-S542 PolarHBondContact N-O 3.31Å; N539-S542 PolarHBondContact N-O 2.59Å; N539-S542 PolarHBondContact ND2-OG 2.81Å; N539-S542 PolarHBondContact O-N 3.04Å; N539-S542 PolarHBondContact OD1-N 3.19Å; N539-S542 PolarHBondContact OD1-OG 3.15Å | ||
| 543 | Y | 90.1 | Very high | 86.8 | Confident | 26 Ų | 26 | 56.1 Ų | 56.1 | 10% | 0.102 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 157.1 | -173 | -63.3 | -96.8 | 0 | 0 | 0 | 110.9 | Y528 P529 L535 K536 K537 Y562 V563 | Y528-Y543 VanDerWaalsContact OH-CD2 3.28Å; Y528-Y543 WeakPolarHBondContact OH-CD2 3.16Å; Y528-Y543 WeakPolarHBondContact OH-CE2 3.33Å; P529-Y543 HydrophobicContact CB-CD1 4.47Å; P529-Y543 HydrophobicContact CB-CE1 3.68Å; P529-Y543 HydrophobicContact CG-CE1 4.27Å; L535-Y543 HydrophobicContact CD1-CG 4.35Å; L535-Y543 HydrophobicContact CD2-CD1 3.91Å; L535-Y543 HydrophobicContact CD2-CE1 4.47Å; L535-Y543 HydrophobicContact CD2-CG 4.18Å; L535-Y543 HydrophobicContact CG-CD1 3.83Å; L535-Y543 HydrophobicContact CG-CG 4.14Å; K536-Y543 CarbonylContact O-C 3.51Å; K536-Y543 VanDerWaalsContact O-CA 3.29Å; K536-Y543 WeakPolarHBondContact O-CA 3.36Å; K537-Y543 HydrophobicContact CB-CD1 4.17Å; K537-Y543 HydrophobicContact CB-CE1 4.04Å; K537-Y543 HydrophobicContact CD-CE1 3.92Å; K537-Y543 HydrophobicContact CG-CD1 4.32Å; K537-Y543 HydrophobicContact CG-CE1 3.96Å; K537-Y543 PolarHBondContact NZ-OH 2.82Å; Y543-Y562 WeakPolarHBondContact O-CA 3.45Å; Y543-V563 PolarHBondContact O-N 3.03Å |
| 544 | Y | 92.2 | Very high | 86.9 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 14% | 0.137 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 152.7 | 174.8 | 72.9 | -83.5 | 0 | 0 | 0 | 111.2 | K536 W538 K560 V561 | K536-Y544 HydrophobicContact CB-CD1 4.02Å; K536-Y544 HydrophobicContact CB-CD2 4.34Å; K536-Y544 HydrophobicContact CB-CE1 3.55Å; K536-Y544 HydrophobicContact CB-CE2 3.88Å; K536-Y544 HydrophobicContact CB-CG 4.42Å; K536-Y544 VanDerWaalsContact CB-CZ 3.48Å; K536-Y544 HydrophobicContact CD-CE2 3.96Å; K536-Y544 PolarHBondContact N-O 3.07Å; K536-Y544 VanDerWaalsContact O-CD1 3.29Å; K536-Y544 WeakPolarHBondContact O-CD1 3.3Å; K536-Y544 PolarHBondContact O-N 3.13Å; W538-Y544 HydrophobicContact CB-CD1 3.96Å; W538-Y544 HydrophobicContact CB-CE1 4.47Å; Y544-K560 HydrophobicContact CD2-CB 3.62Å; Y544-K560 HydrophobicContact CD2-CD 3.99Å; Y544-K560 HydrophobicContact CD2-CG 3.6Å; Y544-K560 HydrophobicContact CE1-CD 4.39Å; Y544-K560 HydrophobicContact CE2-CB 4.16Å; Y544-K560 HydrophobicContact CE2-CD 3.75Å; Y544-K560 HydrophobicContact CE2-CG 3.58Å; Y544-K560 HydrophobicContact CG-CB 4.09Å; Y544-K560 HydrophobicContact CG-CD 4.4Å; Y544-K560 HydrophobicContact CG-CG 4.34Å; Y544-V561 CarbonylContact C-O 3.58Å; Y544-V561 VanDerWaalsContact CA-O 3.26Å; Y544-V561 WeakPolarHBondContact CA-O 3.33Å |
| 545 | I | 92.3 | Very high | 87 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 167.3 | 168 | 60.1 | 172.8 | 0 | 0 | 0 | 110.3 | S481 I482 Y514 L535 V561 V563 | S481-I545 VanDerWaalsContact CB-CD1 3.44Å; S481-I545 VanDerWaalsContact O-CB 3.25Å; S481-I545 WeakPolarHBondContact O-CB 3.27Å; S481-I545 VanDerWaalsContact O-CG2 3.22Å; S481-I545 WeakPolarHBondContact O-CG2 3.46Å; I482-I545 HydrophobicContact CG1-CD1 4.13Å; I482-I545 HydrophobicContact CG1-CG2 4.14Å; Y514-I545 HydrophobicContact CD1-CD1 3.8Å; Y514-I545 HydrophobicContact CD2-CD1 3.31Å; Y514-I545 HydrophobicContact CD2-CG1 4.36Å; Y514-I545 HydrophobicContact CE1-CD1 4.03Å; Y514-I545 HydrophobicContact CE2-CD1 3.58Å; Y514-I545 HydrophobicContact CG-CD1 3.44Å; Y514-I545 VanDerWaalsContact CG-CD1 3.44Å; L535-I545 HydrophobicContact CD1-CG2 3.94Å; I545-V561 HydrophobicContact CG1-CB 4.12Å; I545-V561 PolarHBondContact N-O 3.3Å; I545-V561 PolarHBondContact O-N 3.15Å; I545-V563 HydrophobicContact CD1-CG1 4.1Å; I545-V563 HydrophobicContact CG1-CG1 4.03Å; I545-V563 HydrophobicContact CG1-CG2 4.37Å; I545-V563 HydrophobicContact CG2-CG2 4Å |
| 546 | T | 91.8 | Very high | 87 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 3% | 0.025 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 110 | -172.1 | -48.2 | 0 | 0 | 0 | 0 | 111.3 | S481 G486 S487 K536 Y548 H558 | S481-T546 PolarHBondContact OG-O 3.01Å; G486-T546 CarbonylContact C-O 3.58Å; G486-T546 WeakPolarHBondContact CA-O 3.44Å; S487-T546 PolarHBondContact N-O 2.8Å; K536-T546 PolarHBondContact NZ-OG1 3.47Å; T546-Y548 HydrophobicContact CG2-CD2 4.18Å; T546-Y548 HydrophobicContact CG2-CE2 3.56Å; T546-H558 HydrophobicContact CG2-CB 3.86Å |
| 547 | E | 92.9 | Very high | 87 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 136.9 | 168.7 | -61.4 | -165.4 | 150.1 | 0 | 0 | 110.7 | F489 R510 Y514 H558 R559 V561 | F489-E547 HydrophobicContact CD2-CB 4.28Å; F489-E547 HydrophobicContact CE2-CB 3.95Å; F489-E547 HydrophobicContact CE2-CG 3.78Å; F489-E547 WeakPolarHBondContact CE2-OE1 3.39Å; R510-E547 IonicContact CZ-OE1 3.32Å; R510-E547 IonicContact CZ-OE2 3.52Å; R510-E547 IonicContact NE-OE1 3.53Å; R510-E547 PolarHBondContact NE-OE1 2.91Å; R510-E547 IonicContact NE-OE2 3.93Å; R510-E547 IonicContact NH2-OE1 3.88Å; R510-E547 PolarHBondContact NH2-OE1 3.44Å; R510-E547 IonicContact NH2-OE2 2.79Å; R510-E547 PolarHBondContact NH2-OE2 3.25Å; Y514-E547 WeakPolarHBondContact CE2-OE1 3.1Å; Y514-E547 PolarHBondContact OH-OE1 3.19Å; E547-H558 CarbonylContact O-C 3.53Å; E547-H558 VanDerWaalsContact O-CA 3.27Å; E547-H558 WeakPolarHBondContact O-CA 3.37Å; E547-R559 HydrophobicContact CB-CB 4.43Å; E547-R559 PolarHBondContact N-O 2.86Å; E547-R559 PolarHBondContact O-N 2.98Å; E547-V561 HydrophobicContact CB-CG2 4.45Å; E547-V561 HydrophobicContact CG-CG2 3.74Å |
| 548 | Y | 92.2 | Very high | 87.1 | Confident | 46 Ų | 46 | 62.9 Ų | 62.9 | 18% | 0.18 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 110.6 | 169.7 | -67.9 | -101.5 | 0 | 0 | 0 | 109.3 | L86 V90 S487 V488 F489 T546 I556 H558 | L86-Y548 HydrophobicContact CD1-CD2 4.06Å; L86-Y548 HydrophobicContact CD1-CE2 3.9Å; L86-Y548 HydrophobicContact CD2-CE2 4.05Å; L86-Y548 HydrophobicContact CG-CE2 4.48Å; V90-Y548 HydrophobicContact CG2-CD1 4.03Å; V90-Y548 HydrophobicContact CG2-CE1 4.47Å; V90-Y548 HydrophobicContact CG2-CG 4.33Å; S487-Y548 PolarHBondContact O-N 3.26Å; V488-Y548 HydrophobicContact CG2-CG 4.47Å; F489-Y548 PolarHBondContact N-O 3.32Å; T546-Y548 HydrophobicContact CG2-CD2 4.18Å; T546-Y548 HydrophobicContact CG2-CE2 3.56Å; Y548-I556 HydrophobicContact CD1-CG2 4.41Å; Y548-H558 HydrophobicContact CD1-CB 3.96Å; Y548-H558 HydrophobicContact CE1-CB 3.75Å; Y548-H558 HydrophobicContact CG-CB 4.45Å |
| 549 | D | 89.4 | Confident | 87.3 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 162.3 | -175 | -173.7 | 26.7 | 0 | 0 | 0 | 110.7 | S501 S504 K551 I556 K557 R559 | S501-D549 WeakPolarHBondContact CB-OD1 3.2Å; S501-D549 VanDerWaalsContact CB-OD2 3.24Å; S501-D549 WeakPolarHBondContact CB-OD2 3.15Å; S501-D549 PolarHBondContact OG-OD1 3.2Å; S501-D549 PolarHBondContact OG-OD2 2.79Å; S504-D549 PolarHBondContact OG-OD2 3.08Å; D549-K551 PolarHBondContact O-N 2.86Å; D549-I556 WeakPolarHBondContact O-CA 3.2Å; D549-K557 PolarHBondContact N-O 3.44Å; D549-K557 PolarHBondContact O-N 2.88Å; D549-R559 IonicContact OD2-NH2 3.86Å; D549-R559 PolarHBondContact OD2-NH2 2.88Å |
| 550 | R | 90.7 | Very high | 87.7 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 123 | 175.9 | 177 | 179 | 67 | 84.2 | -8.5 | 110.6 | M97 E494 L496 C499 S500 G552 H555 | M97-R550 HydrophobicContact CE-CB 4.32Å; M97-R550 HydrophobicContact CE-CG 3.83Å; E494-R550 IonicContact OE1-CZ 3.98Å; E494-R550 IonicContact OE1-NE 2.74Å; E494-R550 PolarHBondContact OE1-NE 2.95Å; E494-R550 IonicContact OE1-NH2 2.82Å; E494-R550 PolarHBondContact OE1-NH2 2.71Å; E494-R550 IonicContact OE2-CZ 3.5Å; E494-R550 IonicContact OE2-NE 3.9Å; E494-R550 IonicContact OE2-NH2 2.76Å; E494-R550 PolarHBondContact OE2-NH2 3.46Å; L496-R550 VanDerWaalsContact CD2-CD 3.44Å; L496-R550 PolarHBondContact O-NH1 2.71Å; C499-R550 PolarHBondContact O-NH1 3.15Å; C499-R550 PolarHBondContact O-NH2 3.06Å; S500-R550 VanDerWaalsContact C-NH2 3.26Å; S500-R550 PolarHBondContact O-NH2 3.41Å; S500-R550 VanDerWaalsContact O-NH2 3.07Å; R550-G552 WeakPolarHBondContact CG-O 3.4Å; R550-G552 PolarHBondContact NH1-O 3.32Å; R550-H555 WeakPolarHBondContact CA-O 3.24Å |
| 551 | K | 85.4 | Confident | 88.3 | Confident | 146 Ų | 146 | 53.4 Ų | 53.4 | 64% | 0.635 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 110.6 | 174.2 | -168.6 | 171.6 | 179 | 179.8 | 0 | 110.1 | D549 H555 K557 | D549-K551 PolarHBondContact O-N 2.86Å; K551-H555 PolarHBondContact N-O 3.17Å; K551-K557 HydrophobicContact CB-CB 4.1Å; K551-K557 HydrophobicContact CB-CG 4.37Å; K551-K557 HydrophobicContact CD-CB 4.35Å; K551-K557 HydrophobicContact CD-CD 4.46Å |
| 552 | G | 81.6 | Confident | 88.7 | Confident | 46 Ų | 46 | 48 Ų | 48 | 47% | 0.474 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | -153.7 | -166.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R550 | R550-G552 WeakPolarHBondContact CG-O 3.4Å; R550-G552 PolarHBondContact NH1-O 3.32Å |
| 553 | A | 81.7 | Confident | 89 | Confident | 24 Ų | 24 | 46.8 Ų | 46.8 | 20% | 0.198 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -55.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115 | L496 Y497 | L496-A553 VanDerWaalsContact O-CA 3.3Å; L496-A553 WeakPolarHBondContact O-CA 3.21Å; Y497-A553 HydrophobicContact CD1-CB 4.31Å |
| 554 | F | 85.7 | Confident | 89 | Confident | 58 Ų | 58 | 48.8 Ų | 48.8 | 25% | 0.254 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | 4.1 | -167.5 | -57.9 | -61.1 | 0 | 0 | 0 | 115.3 | M97 R101 L496 Y497 | M97-F554 VanDerWaalsContact CE-C 3.42Å; M97-F554 WeakPolarHBondContact CE-O 3.17Å; R101-F554 HydrophobicContact CB-CE1 3.76Å; R101-F554 HydrophobicContact CB-CZ 4.33Å; R101-F554 VanDerWaalsContact CD-CE1 3.46Å; R101-F554 HydrophobicContact CG-CE1 3.61Å; R101-F554 HydrophobicContact CG-CZ 3.69Å; L496-F554 HydrophobicContact CB-CE1 4.3Å; L496-F554 HydrophobicContact CD1-CD1 4.29Å; L496-F554 HydrophobicContact CD1-CE1 3.65Å; Y497-F554 HydrophobicContact CD1-CE2 4.29Å; Y497-F554 HydrophobicContact CD1-CZ 4.28Å; Y497-F554 AromaticContact CE1-CE2 3.63Å; Y497-F554 HydrophobicContact CE1-CE2 3.63Å; Y497-F554 AromaticContact CE1-CZ 3.57Å; Y497-F554 HydrophobicContact CE1-CZ 3.57Å; Y497-F554 HydrophobicContact CE2-CZ 4.38Å; Y497-F554 AromaticContact CZ-CZ 3.62Å |
| 555 | H | 87.8 | Confident | 88.9 | Confident | 118 Ų | 118 | 49.4 Ų | 49.4 | 55% | 0.546 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125.9 | 179.2 | -46.5 | 108.7 | 0 | 0 | 0 | 110.3 | R550 K551 K557 | R550-H555 WeakPolarHBondContact CA-O 3.24Å; K551-H555 PolarHBondContact N-O 3.17Å; H555-K557 HydrophobicContact CB-CG 4.35Å |
| 556 | I | 89.5 | Confident | 88.8 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 11% | 0.113 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 126.7 | 156.3 | -58.9 | 177.5 | 0 | 0 | 0 | 105.3 | V90 N93 M97 Y548 D549 | V90-I556 HydrophobicContact CG1-CD1 4.17Å; N93-I556 HydrophobicContact CB-CD1 3.68Å; M97-I556 HydrophobicContact CE-CG1 4.38Å; M97-I556 HydrophobicContact SD-CD1 3.94Å; M97-I556 HydrophobicContact SD-CG1 3.51Å; M97-I556 VanDerWaalsContact SD-CG1 3.51Å; Y548-I556 HydrophobicContact CD1-CG2 4.41Å; D549-I556 WeakPolarHBondContact O-CA 3.2Å |
| 557 | K | 89.3 | Confident | 88.3 | Confident | 124 Ų | 124 | 54.2 Ų | 54.2 | 54% | 0.539 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 144 | 170.1 | -70.5 | -150.8 | 170.1 | -154.7 | 0 | 109.2 | D549 K551 H555 | D549-K557 PolarHBondContact N-O 3.44Å; D549-K557 PolarHBondContact O-N 2.88Å; K551-K557 HydrophobicContact CB-CB 4.1Å; K551-K557 HydrophobicContact CB-CG 4.37Å; K551-K557 HydrophobicContact CD-CB 4.35Å; K551-K557 HydrophobicContact CD-CD 4.46Å; H555-K557 HydrophobicContact CB-CG 4.35Å |
| 558 | H | 88.8 | Confident | 87.7 | Confident | 110 Ų | 110 | 54.9 Ų | 54.9 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 150.5 | 171.4 | 75.7 | -100.6 | 0 | 0 | 0 | 109.8 | T546 E547 Y548 | T546-H558 HydrophobicContact CG2-CB 3.86Å; E547-H558 CarbonylContact O-C 3.53Å; E547-H558 VanDerWaalsContact O-CA 3.27Å; E547-H558 WeakPolarHBondContact O-CA 3.37Å; Y548-H558 HydrophobicContact CD1-CB 3.96Å; Y548-H558 HydrophobicContact CE1-CB 3.75Å; Y548-H558 HydrophobicContact CG-CB 4.45Å |
| 559 | R | 87.3 | Confident | 86.2 | Confident | 74 Ų | 74 | 58.1 Ų | 58.1 | 28% | 0.279 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 123.2 | 179 | -174.6 | -170.2 | -52 | -148.5 | 5.4 | 107.8 | S504 M507 E547 D549 V561 | S504-R559 PolarHBondContact OG-NH2 3.43Å; M507-R559 PolarHBondContact SD-NH1 3.49Å; E547-R559 HydrophobicContact CB-CB 4.43Å; E547-R559 PolarHBondContact N-O 2.86Å; E547-R559 PolarHBondContact O-N 2.98Å; D549-R559 IonicContact OD2-NH2 3.86Å; D549-R559 PolarHBondContact OD2-NH2 2.88Å; R559-V561 HydrophobicContact CG-CG2 4.28Å; R559-V561 PolarHBondContact O-N 3.48Å |
| 560 | K | 91.1 | Very high | 84.7 | Confident | 82 Ų | 82 | 61.6 Ų | 61.6 | 36% | 0.357 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 117.1 | 168 | -57.6 | -174.1 | -177.6 | 172 | 0 | 107.7 | Y544 | Y544-K560 HydrophobicContact CD2-CB 3.62Å; Y544-K560 HydrophobicContact CD2-CD 3.99Å; Y544-K560 HydrophobicContact CD2-CG 3.6Å; Y544-K560 HydrophobicContact CE1-CD 4.39Å; Y544-K560 HydrophobicContact CE2-CB 4.16Å; Y544-K560 HydrophobicContact CE2-CD 3.75Å; Y544-K560 HydrophobicContact CE2-CG 3.58Å; Y544-K560 HydrophobicContact CG-CB 4.09Å; Y544-K560 HydrophobicContact CG-CD 4.4Å; Y544-K560 HydrophobicContact CG-CG 4.34Å |
| 561 | V | 89.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 102.5 | 171.3 | 177.8 | 0 | 0 | 0 | 0 | 106.7 | Y514 Y544 I545 E547 R559 V563 M981 | Y514-V561 HydrophobicContact CD2-CG1 4.32Å; Y514-V561 HydrophobicContact CE2-CG1 4.38Å; Y544-V561 CarbonylContact C-O 3.58Å; Y544-V561 VanDerWaalsContact CA-O 3.26Å; Y544-V561 WeakPolarHBondContact CA-O 3.33Å; I545-V561 HydrophobicContact CG1-CB 4.12Å; I545-V561 PolarHBondContact N-O 3.3Å; I545-V561 PolarHBondContact O-N 3.15Å; E547-V561 HydrophobicContact CB-CG2 4.45Å; E547-V561 HydrophobicContact CG-CG2 3.74Å; R559-V561 HydrophobicContact CG-CG2 4.28Å; R559-V561 PolarHBondContact O-N 3.48Å; V561-V563 HydrophobicContact CG1-CG1 4.22Å; V561-M981 HydrophobicContact CG1-CE 4.29Å |
| 562 | Y | 89.9 | Confident | 81.4 | Confident | 45 Ų | 45 | 58.5 Ų | 58.5 | 18% | 0.176 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 140.4 | 171.1 | -54.1 | -72.1 | 0 | 0 | 0 | 110.2 | W538 Y543 M981 | W538-Y562 HydrophobicContact CB-CD1 4.49Å; W538-Y562 HydrophobicContact CB-CE1 4.09Å; W538-Y562 AromaticContact CD1-CE1 3.8Å; W538-Y562 AromaticContact CD2-CE1 3.91Å; W538-Y562 HydrophobicContact CD2-CE1 3.91Å; W538-Y562 HydrophobicContact CG-CD1 4.43Å; W538-Y562 AromaticContact CG-CE1 3.67Å; W538-Y562 HydrophobicContact CG-CE1 3.67Å; Y543-Y562 WeakPolarHBondContact O-CA 3.45Å; Y562-M981 HydrophobicContact CD2-CE 3.83Å; Y562-M981 HydrophobicContact CD2-CG 4.18Å; Y562-M981 HydrophobicContact CG-CE 4.42Å |
| 563 | V | 90.6 | Very high | 80 | Confident | 11 Ų | 11 | 62.7 Ų | 62.7 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 149.7 | -172.7 | -74.7 | 0 | 0 | 0 | 0 | 110.5 | Y514 N515 L518 L535 Y543 I545 V561 | Y514-V563 HydrophobicContact CD2-CG1 4.2Å; Y514-V563 HydrophobicContact CG-CG1 4.47Å; N515-V563 WeakPolarHBondContact OD1-CA 3.48Å; N515-V563 WeakPolarHBondContact OD1-CB 3.48Å; N515-V563 WeakPolarHBondContact OD1-CG1 3.29Å; L518-V563 HydrophobicContact CD1-CB 3.69Å; L518-V563 HydrophobicContact CD1-CG2 3.55Å; L535-V563 HydrophobicContact CD1-CG2 3.66Å; Y543-V563 PolarHBondContact O-N 3.03Å; I545-V563 HydrophobicContact CD1-CG1 4.1Å; I545-V563 HydrophobicContact CG1-CG1 4.03Å; I545-V563 HydrophobicContact CG1-CG2 4.37Å; I545-V563 HydrophobicContact CG2-CG2 4Å; V561-V563 HydrophobicContact CG1-CG1 4.22Å |
| 564 | E | 89.5 | Confident | 78.3 | Confident | 68 Ų | 68 | 70.6 Ų | 70.6 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | trans | -142 | 143.2 | -176.8 | 61.2 | -171.1 | 177.2 | 0 | 0 | 109.9 | N515 I566 V979 | N515-E564 VanDerWaalsContact CA-O 3.27Å; N515-E564 WeakPolarHBondContact CA-O 3.3Å; N515-E564 WeakPolarHBondContact CB-O 3.41Å; N515-E564 PolarHBondContact OD1-N 3.48Å; N515-E564 VanDerWaalsContact OD1-N 3.08Å; N515-E564 PolarHBondContact OD1-O 3.36Å; E564-I566 PolarHBondContact O-N 2.86Å; E564-V979 VanDerWaalsContact OE1-CB 3.3Å; E564-V979 WeakPolarHBondContact OE1-CB 3.48Å; E564-V979 VanDerWaalsContact OE1-CG1 3.25Å; E564-V979 WeakPolarHBondContact OE1-CG1 3.45Å | ||
| 565 | P | 89.9 | Confident | 76.5 | Confident | 48 Ų | 48 | 72.5 Ų | 72.5 | 31% | 0.312 | 35% | 0.353 | S | S | . | . | trans | -62.4 | 121.9 | 177.1 | -22.8 | 33.7 | 0 | 0 | 0 | 112.4 | L518 S522 Y528 | L518-P565 HydrophobicContact CB-CB 4.28Å; L518-P565 HydrophobicContact CB-CG 4.18Å; S522-P565 WeakPolarHBondContact OG-CB 3.35Å; Y528-P565 HydrophobicContact CD2-CG 4.29Å; Y528-P565 HydrophobicContact CE1-CG 4.2Å; Y528-P565 HydrophobicContact CE2-CG 3.73Å | ||
| 566 | I | 89.5 | Confident | 74.6 | Confident | 15 Ų | 15 | 73 Ų | 73 | 8% | 0.077 | 36% | 0.357 | C | S | . | . | trans | -114.1 | 126.4 | 172 | -68.2 | 175.5 | 0 | 0 | 0 | 109 | N515 L516 G519 E564 F586 Y590 | N515-I566 HydrophobicContact CB-CB 4.04Å; N515-I566 HydrophobicContact CB-CD1 3.65Å; N515-I566 HydrophobicContact CB-CG1 3.81Å; N515-I566 WeakPolarHBondContact ND2-CD1 3.27Å; N515-I566 PolarHBondContact O-N 3Å; L516-I566 HydrophobicContact CD2-CG2 4.42Å; G519-I566 WeakPolarHBondContact CA-O 3.43Å; E564-I566 PolarHBondContact O-N 2.86Å; I566-F586 HydrophobicContact CG2-CE2 3.95Å; I566-Y590 HydrophobicContact CD1-CE1 4.22Å; I566-Y590 HydrophobicContact CG2-CE2 4.39Å | ||
| 567 | Q | 82.6 | Confident | 72.5 | Confident | 91 Ų | 91 | 79.7 Ų | 79.7 | 43% | 0.425 | 39% | 0.393 | S | S | . | . | trans | -93.7 | 145.1 | 174.1 | -58.6 | -178.8 | 17.6 | 0 | 0 | 110.4 | T523 S570 | T523-Q567 HydrophobicContact CG2-CG 4.04Å; T523-Q567 VanDerWaalsContact CG2-NE2 3.31Å; Q567-S570 PolarHBondContact O-OG 3.39Å | ||
| 568 | L | 79.9 | Confident | 70.9 | Confident | 14 Ų | 14 | 78.6 Ų | 78.6 | 7% | 0.073 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -79.5 | -22.1 | 171.6 | -174.6 | 59 | 0 | 0 | 0 | 112.4 | S570 F586 L732 L735 V736 | L568-S570 PolarHBondContact O-N 3.25Å; L568-F586 HydrophobicContact CD1-CB 3.93Å; L568-F586 HydrophobicContact CD1-CD2 3.83Å; L568-F586 HydrophobicContact CD1-CG 4.1Å; L568-L732 HydrophobicContact CD1-CD2 3.78Å; L568-L732 HydrophobicContact CD2-CD2 4.05Å; L568-L735 HydrophobicContact CD2-CB 3.75Å; L568-V736 HydrophobicContact CD2-CG2 4.37Å |
| 569 | L | 61.2 | Low | 69.6 | Low | 113 Ų | 113 | 81.8 Ų | 81.8 | 59% | 0.592 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -71.6 | -27.5 | -170.9 | -64.3 | 172.1 | 0 | 0 | 0 | 114 | F571 N572 | L569-F571 PolarHBondContact O-N 3.33Å; L569-F571 VanDerWaalsContact O-N 3.1Å; L569-N572 WeakPolarHBondContact O-CB 3.25Å; L569-N572 PolarHBondContact O-N 3.38Å |
| 570 | S | 58.1 | Low | 68.6 | Low | 76 Ų | 76 | 82.5 Ų | 82.5 | 53% | 0.531 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -70.3 | -4.3 | -173.6 | 52.6 | 0 | 0 | 0 | 0 | 115.2 | Q567 L568 N572 | Q567-S570 PolarHBondContact O-OG 3.39Å; L568-S570 PolarHBondContact O-N 3.25Å; S570-N572 VanDerWaalsContact C-N 3.27Å |
| 571 | F | 56.8 | Low | 67.9 | Low | 42 Ų | 42 | 79.9 Ų | 79.9 | 18% | 0.184 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -79 | -9.9 | 173.8 | -72.6 | -87.8 | 0 | 0 | 0 | 113.2 | L569 L585 F586 H589 Y590 | L569-F571 PolarHBondContact O-N 3.33Å; L569-F571 VanDerWaalsContact O-N 3.1Å; F571-L585 HydrophobicContact CD1-CB 4.38Å; F571-F586 HydrophobicContact CE2-CB 4.48Å; F571-F586 AromaticContact CE2-CD2 3.79Å; F571-F586 HydrophobicContact CE2-CD2 3.79Å; F571-F586 HydrophobicContact CZ-CD2 4.27Å; F571-H589 HydrophobicContact CE1-CB 4.04Å; F571-H589 HydrophobicContact CZ-CB 4.46Å; F571-Y590 HydrophobicContact CE2-CE2 4.21Å; F571-Y590 HydrophobicContact CZ-CD2 4.5Å; F571-Y590 AromaticContact CZ-CE2 3.78Å; F571-Y590 HydrophobicContact CZ-CE2 3.78Å |
| 572 | N | 49.9 | Very low | 67.4 | Low | 47 Ų | 47 | 80.8 Ų | 80.8 | 25% | 0.251 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -90.4 | -22.1 | -168.8 | -69 | -7.4 | 0 | 0 | 0 | 114.8 | L569 S570 H574 M576 | L569-N572 WeakPolarHBondContact O-CB 3.25Å; L569-N572 PolarHBondContact O-N 3.38Å; S570-N572 VanDerWaalsContact C-N 3.27Å; N572-H574 VanDerWaalsContact C-N 3.34Å; N572-H574 PolarHBondContact O-N 3.21Å; N572-M576 HydrophobicContact CB-CE 3.7Å; N572-M576 HydrophobicContact CB-CG 4.43Å; N572-M576 VanDerWaalsContact CG-CE 3.46Å; N572-M576 WeakPolarHBondContact O-CG 3.33Å |
| 573 | D | 50.6 | Low | 67.3 | Low | 133 Ų | 133 | 79.2 Ų | 79.2 | 71% | 0.711 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -11.6 | -163 | -63.4 | -40.6 | 0 | 0 | 0 | 115.4 | ||
| 574 | H | 47.5 | Very low | 66.8 | Low | 191 Ų | 191 | 79.1 Ų | 79.1 | 88% | 0.884 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | -10.1 | -175.9 | -72.2 | -17.1 | 0 | 0 | 0 | 117 | N572 | N572-H574 VanDerWaalsContact C-N 3.34Å; N572-H574 PolarHBondContact O-N 3.21Å |
| 575 | E | 47.8 | Very low | 66.3 | Low | 98 Ų | 98 | 77.1 Ų | 77.1 | 46% | 0.458 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 4.9 | 177.3 | -84.5 | -147.6 | -178.4 | 0 | 0 | 115.6 | N577 N578 K580 | E575-N577 PolarHBondContact O-N 3.13Å; E575-N578 PolarHBondContact O-N 3.15Å; E575-K580 IonicContact OE1-NZ 3.39Å; E575-K580 IonicContact OE2-NZ 3.82Å; E575-K580 PolarHBondContact OE2-NZ 3.24Å |
| 576 | M | 46.7 | Very low | 66.2 | Low | 129 Ų | 129 | 74.9 Ų | 74.9 | 64% | 0.635 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 8.8 | -175.9 | -87.9 | -75 | 174.3 | 0 | 0 | 117.5 | N572 N578 | N572-M576 HydrophobicContact CB-CE 3.7Å; N572-M576 HydrophobicContact CB-CG 4.43Å; N572-M576 VanDerWaalsContact CG-CE 3.46Å; N572-M576 WeakPolarHBondContact O-CG 3.33Å; M576-N578 VanDerWaalsContact C-N 3.32Å |
| 577 | N | 47.2 | Very low | 66 | Low | 162 Ų | 162 | 74.1 Ų | 74.1 | 87% | 0.866 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 4.1 | 167.4 | -78.3 | -25.8 | 0 | 0 | 0 | 113.6 | E575 | E575-N577 PolarHBondContact O-N 3.13Š|
| 578 | N | 55.6 | Low | 65.9 | Low | 101 Ų | 101 | 71.9 Ų | 71.9 | 54% | 0.54 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -136.6 | 141 | 172.7 | -68.2 | -82.4 | 0 | 0 | 0 | 111.3 | E575 M576 K580 | E575-N578 PolarHBondContact O-N 3.15Å; M576-N578 VanDerWaalsContact C-N 3.32Å; N578-K580 HydrophobicContact CB-CG 4.12Å; N578-K580 PolarHBondContact O-N 2.75Å |
| 579 | N | 60.5 | Low | 66 | Low | 177 Ų | 177 | 77.1 Ų | 77.1 | 95% | 0.947 | 39% | 0.394 | S | S | * | . | trans | -73.5 | 51.5 | -179.5 | -62.9 | -4.7 | 0 | 0 | 0 | 113.2 | ||||
| 580 | K | 67.2 | Low | 67.1 | Low | 88 Ų | 88 | 73.8 Ų | 73.8 | 38% | 0.383 | 37% | 0.374 | S | S | . | . | trans | -88.6 | 133.8 | 179.1 | -60.6 | -179.1 | -170.8 | 170.5 | 0 | 110.8 | E575 N578 C582 L585 | E575-K580 IonicContact OE1-NZ 3.39Å; E575-K580 IonicContact OE2-NZ 3.82Å; E575-K580 PolarHBondContact OE2-NZ 3.24Å; N578-K580 HydrophobicContact CB-CG 4.12Å; N578-K580 PolarHBondContact O-N 2.75Å; K580-C582 PolarHBondContact O-N 2.85Å; K580-L585 HydrophobicContact CB-CD1 4.17Å; K580-L585 HydrophobicContact CB-CD2 4.42Å; K580-L585 HydrophobicContact CB-CG 4.27Å; K580-L585 HydrophobicContact CD-CD2 3.78Å; K580-L585 HydrophobicContact CD-CG 4.48Å | ||
| 581 | D | 75.9 | Confident | 68.2 | Low | 27 Ų | 27 | 70.7 Ų | 70.7 | 14% | 0.144 | 35% | 0.351 | C | S | . | . | trans | -63.8 | 120 | 172 | -176.8 | -15.4 | 0 | 0 | 0 | 111 | R583 L584 L585 | D581-R583 VanDerWaalsContact CG-NE 3.34Å; D581-R583 PolarHBondContact O-N 2.99Å; D581-R583 WeakPolarHBondContact OD1-CB 3.42Å; D581-R583 VanDerWaalsContact OD1-CG 3.27Å; D581-R583 WeakPolarHBondContact OD1-CG 3.39Å; D581-R583 IonicContact OD1-CZ 3.67Å; D581-R583 PolarHBondContact OD1-N 3.06Å; D581-R583 IonicContact OD1-NE 3.76Å; D581-R583 PolarHBondContact OD1-NE 3.49Å; D581-R583 IonicContact OD1-NH2 2.9Å; D581-R583 IonicContact OD2-CZ 2.73Å; D581-R583 IonicContact OD2-NE 3.23Å; D581-R583 PolarHBondContact OD2-NE 2.92Å; D581-R583 IonicContact OD2-NH2 3.28Å; D581-R583 PolarHBondContact OD2-NH2 2.91Å; D581-L584 HydrophobicContact CB-CB 4.26Å; D581-L584 HydrophobicContact CB-CD1 3.92Å; D581-L584 HydrophobicContact CB-CG 3.91Å; D581-L584 WeakPolarHBondContact O-CB 3.15Å; D581-L584 PolarHBondContact O-N 3.2Å; D581-L585 PolarHBondContact O-N 2.9Å; D581-L585 VanDerWaalsContact O-N 3.1Å | ||
| 582 | C | 79.6 | Confident | 69.1 | Low | 20 Ų | 20 | 71.5 Ų | 71.5 | 14% | 0.135 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.6 | -25.3 | -179.6 | 65.9 | 0 | 0 | 0 | 0 | 113 | K580 L584 L585 F586 | K580-C582 PolarHBondContact O-N 2.85Å; C582-L584 VanDerWaalsContact C-N 3.33Å; C582-L585 PolarHBondContact O-N 2.87Å; C582-F586 WeakPolarHBondContact O-CB 3.3Å; C582-F586 PolarHBondContact O-N 3.41Å |
| 583 | R | 86 | Confident | 70.1 | Confident | 13 Ų | 13 | 69.6 Ų | 69.6 | 5% | 0.049 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.2 | -37.6 | 173.2 | -54.6 | 171.5 | -72.9 | -176.7 | -2.8 | 110.9 | D581 L587 L732 D733 V736 M746 C748 | D581-R583 VanDerWaalsContact CG-NE 3.34Å; D581-R583 PolarHBondContact O-N 2.99Å; D581-R583 WeakPolarHBondContact OD1-CB 3.42Å; D581-R583 VanDerWaalsContact OD1-CG 3.27Å; D581-R583 WeakPolarHBondContact OD1-CG 3.39Å; D581-R583 IonicContact OD1-CZ 3.67Å; D581-R583 PolarHBondContact OD1-N 3.06Å; D581-R583 IonicContact OD1-NE 3.76Å; D581-R583 PolarHBondContact OD1-NE 3.49Å; D581-R583 IonicContact OD1-NH2 2.9Å; D581-R583 IonicContact OD2-CZ 2.73Å; D581-R583 IonicContact OD2-NE 3.23Å; D581-R583 PolarHBondContact OD2-NE 2.92Å; D581-R583 IonicContact OD2-NH2 3.28Å; D581-R583 PolarHBondContact OD2-NH2 2.91Å; R583-L587 WeakPolarHBondContact O-CD1 3.35Å; R583-L587 VanDerWaalsContact O-CG 3.26Å; R583-L587 WeakPolarHBondContact O-CG 3.45Å; R583-L587 PolarHBondContact O-N 2.89Å; R583-L732 HydrophobicContact CB-CB 4.32Å; R583-L732 HydrophobicContact CG-CB 4.16Å; R583-D733 VanDerWaalsContact CD-OD1 3.3Å; R583-D733 WeakPolarHBondContact CD-OD1 3.18Å; R583-D733 IonicContact CZ-OD1 3.87Å; R583-D733 IonicContact NE-OD1 3.2Å; R583-D733 IonicContact NH1-OD1 2.8Å; R583-D733 PolarHBondContact NH1-OD1 3.47Å; R583-V736 HydrophobicContact CG-CG2 3.65Å; R583-M746 PolarHBondContact NH1-O 3.19Å; R583-M746 PolarHBondContact NH2-O 3.37Å; R583-M746 VanDerWaalsContact NH2-O 3.11Å; R583-C748 HydrophobicContact CB-CB 3.64Å; R583-C748 HydrophobicContact CG-CB 4.41Å |
| 584 | L | 80.8 | Confident | 70.8 | Confident | 9 Ų | 9 | 67.5 Ų | 67.5 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -72.8 | -41.5 | 176.4 | -62.6 | -180 | 0 | 0 | 0 | 111.4 | D581 C582 F586 L587 Q588 Y595 P597 L600 C748 | D581-L584 HydrophobicContact CB-CB 4.26Å; D581-L584 HydrophobicContact CB-CD1 3.92Å; D581-L584 HydrophobicContact CB-CG 3.91Å; D581-L584 WeakPolarHBondContact O-CB 3.15Å; D581-L584 PolarHBondContact O-N 3.2Å; C582-L584 VanDerWaalsContact C-N 3.33Å; L584-F586 VanDerWaalsContact C-N 3.33Å; L584-F586 PolarHBondContact O-N 2.81Å; L584-L587 HydrophobicContact CD2-CD1 4.41Å; L584-L587 PolarHBondContact O-N 3.21Å; L584-Q588 WeakPolarHBondContact O-CG 3.44Å; L584-Q588 PolarHBondContact O-N 3.38Å; L584-Y595 HydrophobicContact CD2-CE2 4.48Å; L584-Y595 WeakPolarHBondContact CD2-OH 3.48Å; L584-P597 HydrophobicContact CB-CG 4.35Å; L584-P597 HydrophobicContact CD1-CB 3.66Å; L584-P597 HydrophobicContact CD1-CG 3.91Å; L584-L600 HydrophobicContact CD1-CD1 3.71Å; L584-L600 HydrophobicContact CD2-CD1 3.92Å; L584-C748 HydrophobicContact CD2-CB 3.91Å; L584-C748 WeakPolarHBondContact CD2-O 3.17Å; L584-C748 HydrophobicContact CG-CB 4.3Å |
| 585 | L | 79.7 | Confident | 71.6 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.7 | -44.2 | 173 | -69.2 | 177.1 | 0 | 0 | 0 | 111.9 | F571 K580 D581 C582 L587 Q588 H589 | F571-L585 HydrophobicContact CD1-CB 4.38Å; K580-L585 HydrophobicContact CB-CD1 4.17Å; K580-L585 HydrophobicContact CB-CD2 4.42Å; K580-L585 HydrophobicContact CB-CG 4.27Å; K580-L585 HydrophobicContact CD-CD2 3.78Å; K580-L585 HydrophobicContact CD-CG 4.48Å; D581-L585 PolarHBondContact O-N 2.9Å; D581-L585 VanDerWaalsContact O-N 3.1Å; C582-L585 PolarHBondContact O-N 2.87Å; L585-L587 PolarHBondContact O-N 3.38Å; L585-Q588 PolarHBondContact O-N 3.23Å; L585-H589 WeakPolarHBondContact O-CB 3.43Å; L585-H589 PolarHBondContact O-N 3.31Å |
| 586 | F | 86.7 | Confident | 72 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57 | -47.3 | 174.1 | -179.4 | -80.1 | 0 | 0 | 0 | 111.8 | L512 L516 I566 L568 F571 C582 L584 H589 Y590 L728 L732 | L512-F586 HydrophobicContact CD2-CZ 4.35Å; L516-F586 HydrophobicContact CD1-CE1 4.14Å; L516-F586 HydrophobicContact CD1-CE2 4.28Å; L516-F586 HydrophobicContact CD1-CZ 3.69Å; L516-F586 HydrophobicContact CD2-CE2 3.74Å; L516-F586 HydrophobicContact CD2-CZ 3.98Å; L516-F586 HydrophobicContact CG-CE2 4.17Å; L516-F586 HydrophobicContact CG-CZ 3.89Å; I566-F586 HydrophobicContact CG2-CE2 3.95Å; L568-F586 HydrophobicContact CD1-CB 3.93Å; L568-F586 HydrophobicContact CD1-CD2 3.83Å; L568-F586 HydrophobicContact CD1-CG 4.1Å; F571-F586 HydrophobicContact CE2-CB 4.48Å; F571-F586 AromaticContact CE2-CD2 3.79Å; F571-F586 HydrophobicContact CE2-CD2 3.79Å; F571-F586 HydrophobicContact CZ-CD2 4.27Å; C582-F586 WeakPolarHBondContact O-CB 3.3Å; C582-F586 PolarHBondContact O-N 3.41Å; L584-F586 VanDerWaalsContact C-N 3.33Å; L584-F586 PolarHBondContact O-N 2.81Å; F586-H589 PolarHBondContact O-N 3.02Å; F586-Y590 AromaticContact CD1-CD2 3.93Å; F586-Y590 HydrophobicContact CD1-CD2 3.93Å; F586-Y590 AromaticContact CD2-CD2 3.72Å; F586-Y590 HydrophobicContact CD2-CD2 3.72Å; F586-Y590 AromaticContact CD2-CE2 3.59Å; F586-Y590 HydrophobicContact CD2-CE2 3.59Å; F586-Y590 AromaticContact CE1-CD2 3.77Å; F586-Y590 HydrophobicContact CE1-CD2 3.77Å; F586-Y590 HydrophobicContact CE1-CE2 4.4Å; F586-Y590 AromaticContact CE2-CD2 3.56Å; F586-Y590 HydrophobicContact CE2-CD2 3.56Å; F586-Y590 AromaticContact CE2-CE2 3.33Å; F586-Y590 HydrophobicContact CE2-CE2 3.33Å; F586-Y590 AromaticContact CG-CD2 3.9Å; F586-Y590 HydrophobicContact CG-CD2 3.9Å; F586-Y590 HydrophobicContact CG-CE2 4.23Å; F586-Y590 AromaticContact CZ-CD2 3.57Å; F586-Y590 HydrophobicContact CZ-CD2 3.57Å; F586-Y590 AromaticContact CZ-CE2 3.78Å; F586-Y590 HydrophobicContact CZ-CE2 3.78Å; F586-Y590 HydrophobicContact CZ-CG 4.47Å; F586-Y590 WeakPolarHBondContact O-CD2 3.46Å; F586-Y590 PolarHBondContact O-N 3.4Å; F586-L728 HydrophobicContact CE1-CD1 4.36Å; F586-L732 HydrophobicContact CB-CD2 4.48Å; F586-L732 HydrophobicContact CD1-CD1 3.86Å; F586-L732 HydrophobicContact CD1-CD2 3.84Å; F586-L732 HydrophobicContact CD1-CG 4.46Å; F586-L732 HydrophobicContact CD2-CD2 4.29Å; F586-L732 HydrophobicContact CE1-CD1 4.29Å; F586-L732 HydrophobicContact CE1-CD2 4.12Å; F586-L732 HydrophobicContact CG-CD2 3.95Å; F586-L732 HydrophobicContact CZ-CD2 4.47Å |
| 587 | L | 85.8 | Confident | 72.3 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.6 | -41.2 | -179.9 | -67.3 | 164.4 | 0 | 0 | 0 | 112.3 | R583 L584 L585 L591 L728 I729 L732 | R583-L587 WeakPolarHBondContact O-CD1 3.35Å; R583-L587 VanDerWaalsContact O-CG 3.26Å; R583-L587 WeakPolarHBondContact O-CG 3.45Å; R583-L587 PolarHBondContact O-N 2.89Å; L584-L587 HydrophobicContact CD2-CD1 4.41Å; L584-L587 PolarHBondContact O-N 3.21Å; L585-L587 PolarHBondContact O-N 3.38Å; L587-L591 HydrophobicContact CD2-CD1 3.73Å; L587-L591 HydrophobicContact CD2-CG 4.45Å; L587-L591 WeakPolarHBondContact O-CB 3.49Å; L587-L591 PolarHBondContact O-N 2.73Å; L587-L728 HydrophobicContact CD2-CD2 4.33Å; L587-I729 HydrophobicContact CD1-CD1 3.48Å; L587-I729 VanDerWaalsContact CD1-CD1 3.48Å; L587-I729 HydrophobicContact CD2-CD1 4.08Å; L587-I729 HydrophobicContact CG-CD1 4.4Å; L587-L732 HydrophobicContact CD1-CD1 4.38Å; L587-L732 HydrophobicContact CD2-CD1 3.97Å; L587-L732 HydrophobicContact CG-CD1 4.03Å |
| 588 | Q | 80.3 | Confident | 72.4 | Confident | 43 Ų | 43 | 50.9 Ų | 50.9 | 20% | 0.201 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.8 | -50 | 174.3 | -74 | 172.7 | -23 | 0 | 0 | 110.9 | L584 L585 N592 L593 Y595 | L584-Q588 WeakPolarHBondContact O-CG 3.44Å; L584-Q588 PolarHBondContact O-N 3.38Å; L585-Q588 PolarHBondContact O-N 3.23Å; Q588-N592 VanDerWaalsContact O-CA 3.31Å; Q588-N592 WeakPolarHBondContact O-CA 3.44Å; Q588-N592 PolarHBondContact O-N 2.89Å; Q588-N592 VanDerWaalsContact O-N 3.16Å; Q588-L593 PolarHBondContact O-N 3.37Å; Q588-Y595 PolarHBondContact NE2-O 3.15Å |
| 589 | H | 82 | Confident | 72.4 | Confident | 125 Ų | 125 | 51.8 Ų | 51.8 | 58% | 0.579 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.8 | -55.6 | -179 | -177 | 86.3 | 0 | 0 | 0 | 112.4 | F571 L585 F586 | F571-H589 HydrophobicContact CE1-CB 4.04Å; F571-H589 HydrophobicContact CZ-CB 4.46Å; L585-H589 WeakPolarHBondContact O-CB 3.43Å; L585-H589 PolarHBondContact O-N 3.31Å; F586-H589 PolarHBondContact O-N 3.02Å |
| 590 | Y | 85 | Confident | 72.1 | Confident | 42 Ų | 42 | 43.9 Ų | 43.9 | 17% | 0.165 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -80.4 | -33 | -173 | -72.4 | -67.9 | 0 | 0 | 0 | 113.9 | Y508 L512 I566 F571 F586 | Y508-Y590 VanDerWaalsContact CE1-O 3.29Å; Y508-Y590 WeakPolarHBondContact CE1-O 3.35Å; Y508-Y590 PolarHBondContact OH-O 3.4Å; Y508-Y590 VanDerWaalsContact OH-O 3.08Å; L512-Y590 HydrophobicContact CD2-CD1 3.75Å; L512-Y590 HydrophobicContact CD2-CD2 4.26Å; L512-Y590 HydrophobicContact CD2-CE1 4.36Å; L512-Y590 HydrophobicContact CD2-CG 3.7Å; I566-Y590 HydrophobicContact CD1-CE1 4.22Å; I566-Y590 HydrophobicContact CG2-CE2 4.39Å; F571-Y590 HydrophobicContact CE2-CE2 4.21Å; F571-Y590 HydrophobicContact CZ-CD2 4.5Å; F571-Y590 AromaticContact CZ-CE2 3.78Å; F571-Y590 HydrophobicContact CZ-CE2 3.78Å; F586-Y590 AromaticContact CD1-CD2 3.93Å; F586-Y590 HydrophobicContact CD1-CD2 3.93Å; F586-Y590 AromaticContact CD2-CD2 3.72Å; F586-Y590 HydrophobicContact CD2-CD2 3.72Å; F586-Y590 AromaticContact CD2-CE2 3.59Å; F586-Y590 HydrophobicContact CD2-CE2 3.59Å; F586-Y590 AromaticContact CE1-CD2 3.77Å; F586-Y590 HydrophobicContact CE1-CD2 3.77Å; F586-Y590 HydrophobicContact CE1-CE2 4.4Å; F586-Y590 AromaticContact CE2-CD2 3.56Å; F586-Y590 HydrophobicContact CE2-CD2 3.56Å; F586-Y590 AromaticContact CE2-CE2 3.33Å; F586-Y590 HydrophobicContact CE2-CE2 3.33Å; F586-Y590 AromaticContact CG-CD2 3.9Å; F586-Y590 HydrophobicContact CG-CD2 3.9Å; F586-Y590 HydrophobicContact CG-CE2 4.23Å; F586-Y590 AromaticContact CZ-CD2 3.57Å; F586-Y590 HydrophobicContact CZ-CD2 3.57Å; F586-Y590 AromaticContact CZ-CE2 3.78Å; F586-Y590 HydrophobicContact CZ-CE2 3.78Å; F586-Y590 HydrophobicContact CZ-CG 4.47Å; F586-Y590 WeakPolarHBondContact O-CD2 3.46Å; F586-Y590 PolarHBondContact O-N 3.4Å |
| 591 | L | 81.3 | Confident | 71.3 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -92.7 | -3.6 | -177.9 | -52.1 | -175.6 | 0 | 0 | 0 | 113.6 | Y508 L509 L512 L587 L593 K620 L725 | Y508-L591 HydrophobicContact CD1-CD2 4.47Å; Y508-L591 HydrophobicContact CE1-CD2 4.19Å; L509-L591 HydrophobicContact CD2-CD1 4.34Å; L509-L591 HydrophobicContact CD2-CD2 3.42Å; L509-L591 VanDerWaalsContact CD2-CD2 3.42Å; L512-L591 HydrophobicContact CD1-CD2 3.7Å; L587-L591 HydrophobicContact CD2-CD1 3.73Å; L587-L591 HydrophobicContact CD2-CG 4.45Å; L587-L591 WeakPolarHBondContact O-CB 3.49Å; L587-L591 PolarHBondContact O-N 2.73Å; L591-L593 HydrophobicContact CB-CD1 3.7Å; L591-L593 HydrophobicContact CB-CD2 4.42Å; L591-L593 HydrophobicContact CB-CG 3.72Å; L591-L593 HydrophobicContact CD1-CD1 3.97Å; L591-L593 HydrophobicContact CG-CD1 4.41Å; L591-K620 PolarHBondContact O-NZ 2.95Å; L591-L725 HydrophobicContact CD1-CD1 4.28Å |
| 592 | N | 74.5 | Confident | 70.2 | Confident | 59 Ų | 59 | 51 Ų | 51 | 32% | 0.316 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 73.1 | -171.3 | -165 | 0.5 | 0 | 0 | 0 | 110.5 | Q588 K620 V970 | Q588-N592 VanDerWaalsContact O-CA 3.31Å; Q588-N592 WeakPolarHBondContact O-CA 3.44Å; Q588-N592 PolarHBondContact O-N 2.89Å; Q588-N592 VanDerWaalsContact O-N 3.16Å; N592-K620 PolarHBondContact O-NZ 3.29Å; N592-V970 HydrophobicContact CB-CG1 4.35Å |
| 593 | L | 71 | Confident | 69.2 | Low | 8 Ų | 8 | 52.9 Ų | 52.9 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | trans | -120.3 | 130.8 | -177.1 | -60.6 | 173.9 | 0 | 0 | 0 | 109.8 | Q588 L591 Y595 L613 | Q588-L593 PolarHBondContact O-N 3.37Å; L591-L593 HydrophobicContact CB-CD1 3.7Å; L591-L593 HydrophobicContact CB-CD2 4.42Å; L591-L593 HydrophobicContact CB-CG 3.72Å; L591-L593 HydrophobicContact CD1-CD1 3.97Å; L591-L593 HydrophobicContact CG-CD1 4.41Å; L593-Y595 HydrophobicContact CB-CD1 3.96Å; L593-Y595 HydrophobicContact CB-CE1 3.87Å; L593-Y595 HydrophobicContact CD1-CE1 3.97Å; L593-L613 HydrophobicContact CD1-CD1 3.57Å; L593-L613 HydrophobicContact CD1-CD2 4.04Å; L593-L613 HydrophobicContact CD1-CG 4.49Å; L593-L613 HydrophobicContact CD2-CD1 3.54Å; L593-L613 HydrophobicContact CG-CD1 4.21Å | ||
| 594 | D | 66.3 | Low | 68.5 | Low | 89 Ų | 89 | 59.1 Ų | 59.1 | 48% | 0.476 | 30% | 0.298 | S | S | . | . | trans | -115.7 | 73.4 | -176.7 | -175.9 | 20 | 0 | 0 | 0 | 109.2 | Q966 N969 | D594-Q966 VanDerWaalsContact C-NE2 3.33Å; D594-Q966 PolarHBondContact O-NE2 3.32Å; D594-N969 HydrophobicContact CB-CB 4.09Å; D594-N969 WeakPolarHBondContact OD2-CB 3.29Å; D594-N969 PolarHBondContact OD2-ND2 2.98Å | ||
| 595 | Y | 62.8 | Low | 68.5 | Low | 15 Ų | 15 | 60.3 Ų | 60.3 | 6% | 0.059 | 31% | 0.305 | C | S | . | . | trans | -129.7 | 144.3 | 166.9 | 67 | -86.6 | 0 | 0 | 0 | 109.1 | L584 Q588 L593 L600 | L584-Y595 HydrophobicContact CD2-CE2 4.48Å; L584-Y595 WeakPolarHBondContact CD2-OH 3.48Å; Q588-Y595 PolarHBondContact NE2-O 3.15Å; L593-Y595 HydrophobicContact CB-CD1 3.96Å; L593-Y595 HydrophobicContact CB-CE1 3.87Å; L593-Y595 HydrophobicContact CD1-CE1 3.97Å; Y595-L600 HydrophobicContact CE2-CD1 3.86Å; Y595-L600 HydrophobicContact CE2-CG 4.5Å | ||
| 596 | N | 57.1 | Low | 68.6 | Low | 95 Ų | 95 | 60.5 Ų | 60.5 | 51% | 0.508 | 31% | 0.306 | S | S | . | . | trans | -87.5 | 126.3 | 179.9 | -157.4 | -13.8 | 0 | 0 | 0 | 109.1 | I598 E599 | N596-I598 PolarHBondContact O-N 3.14Å; N596-E599 PolarHBondContact O-N 2.78Å | ||
| 597 | P | 53.7 | Low | 68.8 | Low | 16 Ų | 16 | 61.1 Ų | 61.1 | 10% | 0.104 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -29.6 | -178.2 | -34.3 | 39.8 | 0 | 0 | 0 | 115.1 | L584 E599 L600 | L584-P597 HydrophobicContact CB-CG 4.35Å; L584-P597 HydrophobicContact CD1-CB 3.66Å; L584-P597 HydrophobicContact CD1-CG 3.91Å; P597-E599 PolarHBondContact O-N 3.23Å; P597-E599 VanDerWaalsContact O-N 3.09Å; P597-L600 WeakPolarHBondContact O-CB 3.4Å; P597-L600 PolarHBondContact O-N 3.49Å |
| 598 | I | 48.1 | Very low | 69 | Low | 104 Ų | 104 | 61.1 Ų | 61.1 | 53% | 0.533 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.5 | -23.1 | -179.9 | -55.3 | 171.5 | 0 | 0 | 0 | 112.6 | N596 N602 | N596-I598 PolarHBondContact O-N 3.14Å; I598-N602 PolarHBondContact O-ND2 3.42Å |
| 599 | E | 55.2 | Low | 69.4 | Low | 120 Ų | 120 | 59.6 Ų | 59.6 | 56% | 0.561 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -73.8 | -22 | 173.5 | -65.2 | -167.1 | 172.3 | 0 | 0 | 114 | N596 P597 | N596-E599 PolarHBondContact O-N 2.78Å; P597-E599 PolarHBondContact O-N 3.23Å; P597-E599 VanDerWaalsContact O-N 3.09Å |
| 600 | L | 54.4 | Low | 69.8 | Low | 11 Ų | 11 | 53.6 Ų | 53.6 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -76.7 | -34.5 | 179.5 | -73.4 | 163.3 | 0 | 0 | 0 | 113 | L584 Y595 P597 N606 I609 | L584-L600 HydrophobicContact CD1-CD1 3.71Å; L584-L600 HydrophobicContact CD2-CD1 3.92Å; Y595-L600 HydrophobicContact CE2-CD1 3.86Å; Y595-L600 HydrophobicContact CE2-CG 4.5Å; P597-L600 WeakPolarHBondContact O-CB 3.4Å; P597-L600 PolarHBondContact O-N 3.49Å; L600-N606 HydrophobicContact CD2-CB 4.09Å; L600-N606 WeakPolarHBondContact O-CB 3.42Å; L600-N606 PolarHBondContact O-ND2 3.47Å; L600-I609 HydrophobicContact CD2-CB 4.42Å; L600-I609 HydrophobicContact CD2-CD1 3.52Å; L600-I609 HydrophobicContact CD2-CG2 4.49Å; L600-I609 HydrophobicContact CG-CD1 4.07Å |
| 601 | E | 52.1 | Low | 70.2 | Confident | 129 Ų | 129 | 51.7 Ų | 51.7 | 60% | 0.603 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -81.8 | -36 | -166.4 | -59.5 | -174 | 140 | 0 | 0 | 112.8 | M746 | E601-M746 HydrophobicContact CG-CE 4.48Å |
| 602 | N | 51.2 | Low | 70.7 | Confident | 137 Ų | 137 | 51.1 Ų | 51.1 | 73% | 0.733 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -94.6 | 10.1 | -172.5 | -69.6 | -71.9 | 0 | 0 | 0 | 114.2 | I598 | I598-N602 PolarHBondContact O-ND2 3.42Š|
| 603 | N | 59.5 | Low | 71.4 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 31% | 0.31 | 25% | 0.249 | S | C | . | . | trans | -135.4 | 118.1 | -169.9 | -154.1 | -31 | 0 | 0 | 0 | 113.6 | N605 N606 Q958 | N603-N605 PolarHBondContact O-N 3.09Å; N603-N605 PolarHBondContact OD1-N 3.18Å; N603-N606 PolarHBondContact O-N 3.33Å; N603-N606 VanDerWaalsContact O-N 3.12Å; N603-Q958 PolarHBondContact ND2-NE2 2.86Å | ||
| 604 | N | 71.6 | Confident | 72.4 | Confident | 145 Ų | 145 | 48.2 Ų | 48.2 | 78% | 0.775 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -7.6 | 174.8 | -73 | -40.3 | 0 | 0 | 0 | 114.4 | ||
| 605 | N | 80.1 | Confident | 73.6 | Confident | 34 Ų | 34 | 44 Ų | 44 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 18.8 | -179.2 | -56.3 | -43.4 | 0 | 0 | 0 | 114 | N603 W607 L608 L955 | N603-N605 PolarHBondContact O-N 3.09Å; N603-N605 PolarHBondContact OD1-N 3.18Å; N605-W607 PolarHBondContact O-N 3.05Å; N605-L608 HydrophobicContact CB-CD1 3.86Å; N605-L608 HydrophobicContact CB-CG 4.25Å; N605-L608 VanDerWaalsContact O-CB 3.3Å; N605-L608 WeakPolarHBondContact O-CB 3.02Å; N605-L608 WeakPolarHBondContact O-CG 3.41Å; N605-L608 PolarHBondContact O-N 2.93Å; N605-L955 HydrophobicContact CB-CD2 4.01Å; N605-L955 VanDerWaalsContact CG-CD2 3.44Å; N605-L955 WeakPolarHBondContact ND2-CD2 3.01Å |
| 606 | N | 82.9 | Confident | 74.9 | Confident | 30 Ų | 30 | 43.3 Ų | 43.3 | 16% | 0.16 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -27.1 | -179.6 | 62.2 | 14.6 | 0 | 0 | 0 | 114.6 | L600 N603 L608 I609 N750 | L600-N606 HydrophobicContact CD2-CB 4.09Å; L600-N606 WeakPolarHBondContact O-CB 3.42Å; L600-N606 PolarHBondContact O-ND2 3.47Å; N603-N606 PolarHBondContact O-N 3.33Å; N603-N606 VanDerWaalsContact O-N 3.12Å; N606-L608 PolarHBondContact O-N 2.82Å; N606-L608 VanDerWaalsContact O-N 3.15Å; N606-I609 WeakPolarHBondContact O-CB 3.29Å; N606-I609 PolarHBondContact O-N 2.8Å; N606-N750 PolarHBondContact ND2-ND2 2.86Å |
| 607 | W | 89.4 | Confident | 76.4 | Confident | 12 Ų | 12 | 39.6 Ų | 39.6 | 5% | 0.045 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58 | -21 | 171.4 | 60.2 | -91.9 | 0 | 0 | 0 | 114.9 | N605 I609 S610 I611 I653 Y656 N750 L752 L955 | N605-W607 PolarHBondContact O-N 3.05Å; W607-I609 VanDerWaalsContact C-N 3.28Å; W607-I609 PolarHBondContact O-N 2.97Å; W607-S610 WeakPolarHBondContact O-CB 3.26Å; W607-S610 PolarHBondContact O-N 2.84Å; W607-I611 HydrophobicContact CE3-CD1 3.45Å; W607-I611 VanDerWaalsContact CE3-CD1 3.45Å; W607-I611 HydrophobicContact CE3-CG1 4.48Å; W607-I611 HydrophobicContact CZ3-CD1 3.45Å; W607-I611 VanDerWaalsContact CZ3-CD1 3.45Å; W607-I611 PolarHBondContact O-N 3.2Å; W607-I653 HydrophobicContact CH2-CG1 4.05Å; W607-I653 HydrophobicContact CZ3-CG1 4.23Å; W607-Y656 HydrophobicContact CD2-CD2 4.45Å; W607-Y656 HydrophobicContact CD2-CE2 4.33Å; W607-Y656 AromaticContact CE2-CD2 3.96Å; W607-Y656 AromaticContact CE2-CE1 3.95Å; W607-Y656 AromaticContact CE2-CE2 3.62Å; W607-Y656 AromaticContact CE2-CZ 3.59Å; W607-Y656 AromaticContact CH2-CD1 3.68Å; W607-Y656 HydrophobicContact CH2-CD1 3.68Å; W607-Y656 HydrophobicContact CH2-CD2 4.17Å; W607-Y656 HydrophobicContact CH2-CE1 4.11Å; W607-Y656 AromaticContact CH2-CG 3.7Å; W607-Y656 HydrophobicContact CH2-CG 3.7Å; W607-Y656 AromaticContact CZ2-CD1 3.4Å; W607-Y656 HydrophobicContact CZ2-CD1 3.4Å; W607-Y656 AromaticContact CZ2-CD2 3.86Å; W607-Y656 HydrophobicContact CZ2-CD2 3.86Å; W607-Y656 AromaticContact CZ2-CE1 3.33Å; W607-Y656 HydrophobicContact CZ2-CE1 3.33Å; W607-Y656 AromaticContact CZ2-CE2 3.78Å; W607-Y656 HydrophobicContact CZ2-CE2 3.78Å; W607-Y656 AromaticContact CZ2-CG 3.66Å; W607-Y656 HydrophobicContact CZ2-CG 3.66Å; W607-Y656 AromaticContact CZ2-CZ 3.51Å; W607-Y656 HydrophobicContact CZ3-CG 4.37Å; W607-Y656 AromaticContact NE1-CE2 3.58Å; W607-Y656 AromaticContact NE1-CZ 3.44Å; W607-Y656 PolarHBondContact NE1-OH 3.49Å; W607-N750 WeakPolarHBondContact CA-O 3.09Å; W607-L752 HydrophobicContact CB-CD2 4.04Å; W607-L752 HydrophobicContact CB-CG 4.14Å; W607-L752 HydrophobicContact CD2-CD1 4.03Å; W607-L752 HydrophobicContact CD2-CD2 3.92Å; W607-L752 HydrophobicContact CD2-CG 3.98Å; W607-L752 HydrophobicContact CE3-CD1 3.44Å; W607-L752 VanDerWaalsContact CE3-CD1 3.44Å; W607-L752 HydrophobicContact CE3-CD2 4.19Å; W607-L752 HydrophobicContact CE3-CG 3.74Å; W607-L752 HydrophobicContact CG-CD2 3.83Å; W607-L752 HydrophobicContact CG-CG 4.15Å; W607-L752 HydrophobicContact CH2-CD1 4.5Å; W607-L752 HydrophobicContact CZ3-CD1 3.69Å; W607-L752 HydrophobicContact CZ3-CG 4.48Å; W607-L955 HydrophobicContact CZ2-CD1 4.48Å; W607-L955 HydrophobicContact CZ2-CD2 4.4Å |
| 608 | L | 91.1 | Very high | 78 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.5 | -33.6 | 172.3 | -70.2 | 175.5 | 0 | 0 | 0 | 112.2 | N605 N606 S610 I611 A612 I653 L955 Q958 I962 | N605-L608 HydrophobicContact CB-CD1 3.86Å; N605-L608 HydrophobicContact CB-CG 4.25Å; N605-L608 VanDerWaalsContact O-CB 3.3Å; N605-L608 WeakPolarHBondContact O-CB 3.02Å; N605-L608 WeakPolarHBondContact O-CG 3.41Å; N605-L608 PolarHBondContact O-N 2.93Å; N606-L608 PolarHBondContact O-N 2.82Å; N606-L608 VanDerWaalsContact O-N 3.15Å; L608-S610 VanDerWaalsContact C-N 3.27Å; L608-S610 PolarHBondContact O-N 3.29Å; L608-I611 PolarHBondContact O-N 2.89Å; L608-A612 WeakPolarHBondContact O-CB 3.45Å; L608-A612 PolarHBondContact O-N 3.38Å; L608-I653 HydrophobicContact CD2-CD1 3.98Å; L608-I653 HydrophobicContact CD2-CG1 4.02Å; L608-L955 HydrophobicContact CD1-CD2 3.83Å; L608-Q958 HydrophobicContact CD1-CB 3.99Å; L608-Q958 HydrophobicContact CD1-CG 3.89Å; L608-Q958 VanDerWaalsContact CD1-OE1 3.28Å; L608-I962 HydrophobicContact CB-CD1 4.22Å |
| 609 | I | 88 | Confident | 79.8 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 6% | 0.056 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.3 | -38.1 | 179.4 | -67 | 163.1 | 0 | 0 | 0 | 109.6 | L600 N606 W607 A612 L613 L749 I962 | L600-I609 HydrophobicContact CD2-CB 4.42Å; L600-I609 HydrophobicContact CD2-CD1 3.52Å; L600-I609 HydrophobicContact CD2-CG2 4.49Å; L600-I609 HydrophobicContact CG-CD1 4.07Å; N606-I609 WeakPolarHBondContact O-CB 3.29Å; N606-I609 PolarHBondContact O-N 2.8Å; W607-I609 VanDerWaalsContact C-N 3.28Å; W607-I609 PolarHBondContact O-N 2.97Å; I609-A612 PolarHBondContact O-N 2.74Å; I609-L613 WeakPolarHBondContact O-CB 3.25Å; I609-L613 PolarHBondContact O-N 2.63Å; I609-L749 HydrophobicContact CG2-CD1 4.19Å; I609-I962 HydrophobicContact CG1-CD1 3.97Å; I609-I962 HydrophobicContact CG1-CG2 4.38Å |
| 610 | S | 90.2 | Very high | 81 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 175.4 | -42.8 | 0 | 0 | 0 | 0 | 112.5 | W607 L608 I614 L749 N750 | W607-S610 WeakPolarHBondContact O-CB 3.26Å; W607-S610 PolarHBondContact O-N 2.84Å; L608-S610 VanDerWaalsContact C-N 3.27Å; L608-S610 PolarHBondContact O-N 3.29Å; S610-I614 VanDerWaalsContact O-CD1 3.32Å; S610-I614 WeakPolarHBondContact O-CD1 3.34Å; S610-I614 VanDerWaalsContact O-CG1 3.28Å; S610-I614 WeakPolarHBondContact O-CG1 2.97Å; S610-I614 PolarHBondContact O-N 3.28Å; S610-L749 WeakPolarHBondContact OG-CD1 3.44Å; S610-L749 VanDerWaalsContact OG-CG 3.3Å; S610-L749 WeakPolarHBondContact OG-CG 3.2Å; S610-N750 WeakPolarHBondContact CB-O 3.26Å; S610-N750 PolarHBondContact OG-O 3.05Å |
| 611 | I | 92.9 | Very high | 81.8 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.3 | -46.2 | 177.1 | -60.2 | 172.2 | 0 | 0 | 0 | 110.4 | W607 L608 L613 I614 N615 F648 C652 L752 M757 Y959 | W607-I611 HydrophobicContact CE3-CD1 3.45Å; W607-I611 VanDerWaalsContact CE3-CD1 3.45Å; W607-I611 HydrophobicContact CE3-CG1 4.48Å; W607-I611 HydrophobicContact CZ3-CD1 3.45Å; W607-I611 VanDerWaalsContact CZ3-CD1 3.45Å; W607-I611 PolarHBondContact O-N 3.2Å; L608-I611 PolarHBondContact O-N 2.89Å; I611-L613 VanDerWaalsContact C-N 3.32Å; I611-L613 PolarHBondContact O-N 2.79Å; I611-I614 PolarHBondContact O-N 3.37Å; I611-N615 WeakPolarHBondContact O-CB 3.46Å; I611-N615 PolarHBondContact O-N 3.27Å; I611-F648 HydrophobicContact CB-CE1 4.48Å; I611-F648 HydrophobicContact CG2-CD1 3.9Å; I611-F648 HydrophobicContact CG2-CE1 3.49Å; I611-F648 VanDerWaalsContact CG2-CE1 3.49Å; I611-F648 HydrophobicContact CG2-CZ 4.08Å; I611-C652 HydrophobicContact CD1-CB 3.69Å; I611-C652 HydrophobicContact CG2-CB 4.49Å; I611-L752 HydrophobicContact CD1-CD1 4.45Å; I611-M757 HydrophobicContact CG1-CE 4.11Å; I611-Y959 HydrophobicContact CB-CD2 4.44Å; I611-Y959 HydrophobicContact CB-CE2 4.48Å; I611-Y959 HydrophobicContact CG2-CD2 3.92Å; I611-Y959 HydrophobicContact CG2-CE2 3.64Å |
| 612 | A | 91.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.5 | -41.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L608 I609 N615 V616 Y959 I962 S963 | L608-A612 WeakPolarHBondContact O-CB 3.45Å; L608-A612 PolarHBondContact O-N 3.38Å; I609-A612 PolarHBondContact O-N 2.74Å; A612-N615 WeakPolarHBondContact O-CB 3.32Å; A612-N615 PolarHBondContact O-N 2.75Å; A612-V616 VanDerWaalsContact O-CB 3.31Å; A612-V616 WeakPolarHBondContact O-CB 3.24Å; A612-V616 WeakPolarHBondContact O-CG2 3.37Å; A612-V616 PolarHBondContact O-N 2.89Å; A612-Y959 HydrophobicContact CB-CD2 4.15Å; A612-Y959 HydrophobicContact CB-CE2 4.48Å; A612-I962 HydrophobicContact CB-CB 3.95Å; A612-I962 HydrophobicContact CB-CG2 3.5Å; A612-S963 WeakPolarHBondContact CB-OG 3.28Å |
| 613 | L | 89.8 | Confident | 83 | Confident | 5 Ų | 5 | 22.2 Ų | 22.2 | 3% | 0.026 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.9 | -43.9 | 177.7 | -180 | 55.2 | 0 | 0 | 0 | 112.2 | L593 I609 I611 N615 V616 L617 L725 L749 | L593-L613 HydrophobicContact CD1-CD1 3.57Å; L593-L613 HydrophobicContact CD1-CD2 4.04Å; L593-L613 HydrophobicContact CD1-CG 4.49Å; L593-L613 HydrophobicContact CD2-CD1 3.54Å; L593-L613 HydrophobicContact CG-CD1 4.21Å; I609-L613 WeakPolarHBondContact O-CB 3.25Å; I609-L613 PolarHBondContact O-N 2.63Å; I611-L613 VanDerWaalsContact C-N 3.32Å; I611-L613 PolarHBondContact O-N 2.79Å; L613-N615 VanDerWaalsContact C-N 3.34Å; L613-N615 PolarHBondContact O-N 3.32Å; L613-V616 PolarHBondContact O-N 2.81Å; L613-L617 HydrophobicContact CD1-CD1 3.74Å; L613-L617 HydrophobicContact CD1-CD2 4.48Å; L613-L617 HydrophobicContact CD1-CG 3.84Å; L613-L617 HydrophobicContact CG-CD1 3.81Å; L613-L617 HydrophobicContact CG-CG 4.38Å; L613-L617 WeakPolarHBondContact O-CB 3.47Å; L613-L617 VanDerWaalsContact O-CG 3.22Å; L613-L617 WeakPolarHBondContact O-CG 3.49Å; L613-L617 PolarHBondContact O-N 2.81Å; L613-L725 HydrophobicContact CD2-CD1 4.34Å; L613-L725 HydrophobicContact CD2-CD2 3.88Å; L613-L725 HydrophobicContact CG-CD2 4Å; L613-L749 HydrophobicContact CD2-CD2 3.82Å |
| 614 | I | 92.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 173.7 | -68.5 | 157.2 | 0 | 0 | 0 | 110.7 | S610 I611 T618 F648 L718 I721 Y722 L725 F751 M757 | S610-I614 VanDerWaalsContact O-CD1 3.32Å; S610-I614 WeakPolarHBondContact O-CD1 3.34Å; S610-I614 VanDerWaalsContact O-CG1 3.28Å; S610-I614 WeakPolarHBondContact O-CG1 2.97Å; S610-I614 PolarHBondContact O-N 3.28Å; I611-I614 PolarHBondContact O-N 3.37Å; I614-T618 VanDerWaalsContact O-CB 3.22Å; I614-T618 WeakPolarHBondContact O-CB 2.96Å; I614-T618 PolarHBondContact O-N 2.89Å; I614-T618 PolarHBondContact O-OG1 2.89Å; I614-F648 HydrophobicContact CB-CE1 4.32Å; I614-F648 HydrophobicContact CG2-CE1 4.05Å; I614-F648 HydrophobicContact CG2-CZ 4.13Å; I614-L718 HydrophobicContact CG2-CD2 3.95Å; I614-I721 HydrophobicContact CG2-CG2 4.17Å; I614-Y722 HydrophobicContact CD1-CD2 3.73Å; I614-Y722 HydrophobicContact CD1-CG 4.44Å; I614-L725 HydrophobicContact CG1-CD2 4.04Å; I614-F751 HydrophobicContact CD1-CD1 4.43Å; I614-F751 HydrophobicContact CD1-CE1 4.12Å; I614-M757 HydrophobicContact CD1-CE 3.44Å; I614-M757 VanDerWaalsContact CD1-CE 3.44Å |
| 615 | N | 92.1 | Very high | 80.4 | Confident | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.011 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.2 | -47.7 | 177.8 | -177.3 | 41.5 | 0 | 0 | 0 | 111.7 | I611 A612 L613 T618 Y619 S645 F648 Y959 S963 | I611-N615 WeakPolarHBondContact O-CB 3.46Å; I611-N615 PolarHBondContact O-N 3.27Å; A612-N615 WeakPolarHBondContact O-CB 3.32Å; A612-N615 PolarHBondContact O-N 2.75Å; L613-N615 VanDerWaalsContact C-N 3.34Å; L613-N615 PolarHBondContact O-N 3.32Å; N615-T618 CarbonylContact O-C 3.21Å; N615-T618 PolarHBondContact O-N 3.3Å; N615-Y619 WeakPolarHBondContact O-CB 3.31Å; N615-Y619 PolarHBondContact O-N 3.3Å; N615-S645 PolarHBondContact ND2-OG 2.98Å; N615-S645 WeakPolarHBondContact OD1-CA 3.27Å; N615-S645 VanDerWaalsContact OD1-CB 3.31Å; N615-S645 WeakPolarHBondContact OD1-CB 3.49Å; N615-F648 HydrophobicContact CB-CD1 4.31Å; N615-Y959 HydrophobicContact CB-CE2 4.18Å; N615-Y959 VanDerWaalsContact CG-OH 3.23Å; N615-Y959 PolarHBondContact ND2-OH 3.4Å; N615-S963 PolarHBondContact ND2-OG 3.45Å |
| 616 | V | 89.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.9 | -43.5 | 179 | 167.9 | 0 | 0 | 0 | 0 | 112 | A612 L613 T618 Y619 K620 I639 S963 Q966 | A612-V616 VanDerWaalsContact O-CB 3.31Å; A612-V616 WeakPolarHBondContact O-CB 3.24Å; A612-V616 WeakPolarHBondContact O-CG2 3.37Å; A612-V616 PolarHBondContact O-N 2.89Å; L613-V616 PolarHBondContact O-N 2.81Å; V616-T618 VanDerWaalsContact C-N 3.31Å; V616-T618 PolarHBondContact O-N 2.88Å; V616-Y619 PolarHBondContact O-N 2.81Å; V616-K620 HydrophobicContact CG1-CD 4.09Å; V616-K620 HydrophobicContact CG1-CG 4.2Å; V616-K620 WeakPolarHBondContact O-CB 3.46Å; V616-K620 WeakPolarHBondContact O-CG 3.18Å; V616-K620 PolarHBondContact O-N 2.83Å; V616-I639 HydrophobicContact CB-CD1 4.41Å; V616-I639 HydrophobicContact CG2-CD1 3.67Å; V616-S963 VanDerWaalsContact CG2-O 3.31Å; V616-S963 WeakPolarHBondContact CG2-O 3.36Å; V616-Q966 HydrophobicContact CG1-CB 4.16Å; V616-Q966 HydrophobicContact CG2-CB 3.97Å |
| 617 | L | 88.5 | Confident | 75.7 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 9% | 0.089 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.2 | -41.4 | 174.9 | -72.1 | 166.9 | 0 | 0 | 0 | 111.1 | L509 L613 Y619 S621 I721 L725 | L509-L617 HydrophobicContact CD1-CD1 4.21Å; L509-L617 HydrophobicContact CD2-CD1 4.46Å; L613-L617 HydrophobicContact CD1-CD1 3.74Å; L613-L617 HydrophobicContact CD1-CD2 4.48Å; L613-L617 HydrophobicContact CD1-CG 3.84Å; L613-L617 HydrophobicContact CG-CD1 3.81Å; L613-L617 HydrophobicContact CG-CG 4.38Å; L613-L617 WeakPolarHBondContact O-CB 3.47Å; L613-L617 VanDerWaalsContact O-CG 3.22Å; L613-L617 WeakPolarHBondContact O-CG 3.49Å; L613-L617 PolarHBondContact O-N 2.81Å; L617-Y619 VanDerWaalsContact C-N 3.31Å; L617-Y619 PolarHBondContact O-N 3.37Å; L617-S621 WeakPolarHBondContact O-CB 3.05Å; L617-S621 PolarHBondContact O-N 2.8Å; L617-S621 PolarHBondContact O-OG 2.74Å; L617-I721 HydrophobicContact CB-CG2 3.97Å; L617-I721 HydrophobicContact CD1-CG2 4.35Å; L617-L725 HydrophobicContact CD1-CD1 4.33Å; L617-L725 HydrophobicContact CD1-CD2 4.22Å |
| 618 | T | 88.4 | Confident | 72.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68 | -28.6 | 176.3 | -54.7 | 0 | 0 | 0 | 0 | 112.8 | I614 N615 V616 S621 R622 Q717 L718 I721 | I614-T618 VanDerWaalsContact O-CB 3.22Å; I614-T618 WeakPolarHBondContact O-CB 2.96Å; I614-T618 PolarHBondContact O-N 2.89Å; I614-T618 PolarHBondContact O-OG1 2.89Å; N615-T618 CarbonylContact O-C 3.21Å; N615-T618 PolarHBondContact O-N 3.3Å; V616-T618 VanDerWaalsContact C-N 3.31Å; V616-T618 PolarHBondContact O-N 2.88Å; T618-S621 PolarHBondContact O-OG 3.43Å; T618-R622 WeakPolarHBondContact O-CG 3.2Å; T618-R622 PolarHBondContact O-NE 3.23Å; T618-Q717 HydrophobicContact CG2-CB 4.19Å; T618-L718 HydrophobicContact CG2-CD2 3.9Å; T618-L718 HydrophobicContact CG2-CG 4.17Å; T618-I721 HydrophobicContact CG2-CD1 4.23Å; T618-I721 WeakPolarHBondContact OG1-CD1 3.31Å |
| 619 | Y | 85.4 | Confident | 69.8 | Low | 20 Ų | 20 | 47.7 Ų | 47.7 | 8% | 0.078 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -77.7 | -53.6 | 173.2 | -170.6 | -81.6 | 0 | 0 | 0 | 110.9 | N615 V616 L617 S621 R622 C623 D637 I639 C642 L967 | N615-Y619 WeakPolarHBondContact O-CB 3.31Å; N615-Y619 PolarHBondContact O-N 3.3Å; V616-Y619 PolarHBondContact O-N 2.81Å; L617-Y619 VanDerWaalsContact C-N 3.31Å; L617-Y619 PolarHBondContact O-N 3.37Å; Y619-S621 PolarHBondContact O-N 2.98Å; Y619-S621 VanDerWaalsContact O-N 3.16Å; Y619-R622 PolarHBondContact O-N 2.99Å; Y619-C623 WeakPolarHBondContact CE1-SG 3.31Å; Y619-C623 PolarHBondContact O-N 3.06Å; Y619-C623 PolarHBondContact O-SG 3.29Å; Y619-D637 VanDerWaalsContact CE2-O 3.28Å; Y619-D637 WeakPolarHBondContact CE2-O 3.47Å; Y619-D637 PolarHBondContact OH-O 2.9Å; Y619-I639 HydrophobicContact CD2-CB 4.27Å; Y619-I639 HydrophobicContact CD2-CD1 4.31Å; Y619-I639 HydrophobicContact CD2-CG1 4.08Å; Y619-I639 HydrophobicContact CE2-CB 4.41Å; Y619-I639 HydrophobicContact CG-CD1 4.02Å; Y619-I639 HydrophobicContact CG-CG1 4.3Å; Y619-C642 HydrophobicContact CE2-CB 4.44Å; Y619-L967 HydrophobicContact CD1-CD1 3.93Å; Y619-L967 HydrophobicContact CD1-CD2 3.77Å; Y619-L967 HydrophobicContact CE1-CD1 4.32Å; Y619-L967 HydrophobicContact CE1-CD2 3.67Å |
| 620 | K | 78.9 | Confident | 67.1 | Low | 27 Ų | 27 | 51.4 Ų | 51.4 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -47.8 | -44.1 | 174.7 | -77.2 | -178.9 | 179.6 | -173.7 | 0 | 111.1 | L591 N592 V616 R622 C623 L967 | L591-K620 PolarHBondContact O-NZ 2.95Å; N592-K620 PolarHBondContact O-NZ 3.29Å; V616-K620 HydrophobicContact CG1-CD 4.09Å; V616-K620 HydrophobicContact CG1-CG 4.2Å; V616-K620 WeakPolarHBondContact O-CB 3.46Å; V616-K620 WeakPolarHBondContact O-CG 3.18Å; V616-K620 PolarHBondContact O-N 2.83Å; K620-R622 PolarHBondContact O-N 3.33Å; K620-C623 PolarHBondContact O-N 2.76Å; K620-L967 HydrophobicContact CG-CD1 4.21Å |
| 621 | S | 73 | Confident | 64 | Low | 9 Ų | 9 | 60 Ų | 60 | 6% | 0.063 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -12.8 | -178.2 | 75.6 | 0 | 0 | 0 | 0 | 114.9 | Y505 L617 T618 Y619 T624 | Y505-S621 WeakPolarHBondContact CD1-O 3.11Å; Y505-S621 WeakPolarHBondContact CE1-O 3.47Å; L617-S621 WeakPolarHBondContact O-CB 3.05Å; L617-S621 PolarHBondContact O-N 2.8Å; L617-S621 PolarHBondContact O-OG 2.74Å; T618-S621 PolarHBondContact O-OG 3.43Å; Y619-S621 PolarHBondContact O-N 2.98Å; Y619-S621 VanDerWaalsContact O-N 3.16Å; S621-T624 PolarHBondContact O-OG1 3.14Å |
| 622 | R | 69.3 | Low | 60.9 | Low | 68 Ų | 68 | 64.4 Ų | 64.4 | 26% | 0.257 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -23.9 | 172.8 | -65.9 | 171 | -172.4 | 148 | 0.9 | 112.5 | T618 Y619 K620 T624 I644 Q717 | T618-R622 WeakPolarHBondContact O-CG 3.2Å; T618-R622 PolarHBondContact O-NE 3.23Å; Y619-R622 PolarHBondContact O-N 2.99Å; K620-R622 PolarHBondContact O-N 3.33Å; R622-T624 VanDerWaalsContact C-N 3.3Å; R622-T624 PolarHBondContact O-N 2.65Å; R622-I644 VanDerWaalsContact NH1-CD1 3.26Å; R622-Q717 VanDerWaalsContact CZ-OE1 3.27Å |
| 623 | C | 57.4 | Low | 57.8 | Low | 27 Ų | 27 | 71 Ų | 71 | 18% | 0.182 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -76.2 | -12.3 | -179.3 | -61.2 | 0 | 0 | 0 | 0 | 114 | Y619 K620 P625 M636 | Y619-C623 WeakPolarHBondContact CE1-SG 3.31Å; Y619-C623 PolarHBondContact O-N 3.06Å; Y619-C623 PolarHBondContact O-SG 3.29Å; K620-C623 PolarHBondContact O-N 2.76Å; C623-P625 VanDerWaalsContact O-CD 3.27Å; C623-P625 WeakPolarHBondContact O-CD 3.48Å; C623-M636 HydrophobicContact CB-CE 4.03Å; C623-M636 HydrophobicContact CB-SD 4.43Å; C623-M636 VanDerWaalsContact SG-SD 3.64Å |
| 624 | T | 46.5 | Very low | 55.1 | Low | 48 Ų | 48 | 76.5 Ų | 76.5 | 29% | 0.294 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -75.9 | 113.6 | 179.1 | 50.3 | 0 | 0 | 0 | 0 | 111.4 | S621 R622 Y626 | S621-T624 PolarHBondContact O-OG1 3.14Å; R622-T624 VanDerWaalsContact C-N 3.3Å; R622-T624 PolarHBondContact O-N 2.65Å; T624-Y626 PolarHBondContact O-N 3.03Å |
| 625 | P | 31.6 | Very low | 52.3 | Low | 128 Ų | 128 | 83.7 Ų | 83.7 | 83% | 0.831 | 45% | 0.449 | S | S | * | . | trans | -76.9 | 117.9 | -175.3 | -12.6 | 29.3 | 0 | 0 | 0 | 111.8 | C623 | C623-P625 VanDerWaalsContact O-CD 3.27Å; C623-P625 WeakPolarHBondContact O-CD 3.48Å | ||
| 626 | Y | 35.1 | Very low | 50.2 | Low | 188 Ų | 188 | 89 Ų | 89 | 74% | 0.737 | 48% | 0.475 | S | S | * | . | trans | -125.2 | 101.8 | 169.4 | -76.1 | -80.3 | 0 | 0 | 0 | 110.4 | T624 | T624-Y626 PolarHBondContact O-N 3.03Š| ||
| 627 | H | 28 | Very low | 48.6 | Very low | 180 Ų | 180 | 91.2 Ų | 91.2 | 83% | 0.833 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 53.7 | 73.7 | 165.9 | -61.8 | -83.6 | 0 | 0 | 0 | 118.6 | ||
| 628 | T | 29.8 | Very low | 48 | Very low | 123 Ų | 123 | 93.3 Ų | 93.3 | 76% | 0.755 | 50% | 0.498 | S | S | * | . | trans | -130.7 | 114.6 | 141 | 42 | 0 | 0 | 0 | 0 | 110.4 | T630 | T628-T630 PolarHBondContact O-N 2.86Š| ||
| 629 | T | 27.3 | Very low | 47.8 | Very low | 147 Ų | 147 | 93.3 Ų | 93.3 | 90% | 0.902 | 50% | 0.498 | S | S | * | . | trans | -82.5 | 66.1 | 176.3 | 49 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 630 | T | 30.5 | Very low | 47.8 | Very low | 90 Ų | 90 | 92.8 Ų | 92.8 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | trans | -138.1 | 120.1 | 172 | 47.6 | 0 | 0 | 0 | 0 | 109.3 | T628 T632 | T628-T630 PolarHBondContact O-N 2.86Å; T630-T632 PolarHBondContact O-N 3.46Å | ||
| 631 | N | 26 | Very low | 48.1 | Very low | 179 Ų | 179 | 93.1 Ų | 93.1 | 96% | 0.957 | 50% | 0.499 | S | S | * | . | trans | -72.9 | 74.9 | 179.7 | -76.3 | -10.9 | 0 | 0 | 0 | 111.7 | ||||
| 632 | T | 28.1 | Very low | 48.8 | Very low | 94 Ų | 94 | 93.4 Ų | 93.4 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | trans | -126.5 | 95.9 | 167.3 | 50.6 | 0 | 0 | 0 | 0 | 108.5 | T630 T634 | T630-T632 PolarHBondContact O-N 3.46Å; T632-T634 PolarHBondContact O-N 2.84Å | ||
| 633 | T | 26.7 | Very low | 49.8 | Very low | 139 Ų | 139 | 90.5 Ų | 90.5 | 85% | 0.853 | 49% | 0.49 | S | S | * | . | trans | -70.4 | 74 | 169.6 | 49.1 | 0 | 0 | 0 | 0 | 109.6 | Y635 | T633-Y635 PolarHBondContact O-N 3.25Š| ||
| 634 | T | 32.4 | Very low | 51.5 | Low | 120 Ų | 120 | 89.7 Ų | 89.7 | 74% | 0.736 | 48% | 0.484 | S | S | * | . | trans | -69.9 | 95.6 | 174.2 | 45.7 | 0 | 0 | 0 | 0 | 109.3 | T632 | T632-T634 PolarHBondContact O-N 2.84Š| ||
| 635 | Y | 35.2 | Very low | 53.7 | Low | 152 Ų | 152 | 87.4 Ų | 87.4 | 60% | 0.596 | 47% | 0.47 | S | S | * | . | trans | 5.1 | 122.1 | 157.6 | -76.5 | -103.1 | 0 | 0 | 0 | 116.2 | T633 D637 N780 | T633-Y635 PolarHBondContact O-N 3.25Å; Y635-D637 PolarHBondContact O-N 2.95Å; Y635-N780 PolarHBondContact OH-OD1 2.78Å | ||
| 636 | M | 47.3 | Very low | 56.8 | Low | 113 Ų | 113 | 81.3 Ų | 81.3 | 56% | 0.557 | 43% | 0.43 | S | S | * | . | trans | -64.2 | 96.7 | 161 | -66.3 | -68.5 | 173.5 | 0 | 0 | 108.6 | C623 D638 | C623-M636 HydrophobicContact CB-CE 4.03Å; C623-M636 HydrophobicContact CB-SD 4.43Å; C623-M636 VanDerWaalsContact SG-SD 3.64Å; M636-D638 PolarHBondContact O-N 2.94Å | ||
| 637 | D | 55.6 | Low | 59.7 | Low | 47 Ų | 47 | 72.3 Ų | 72.3 | 25% | 0.251 | 40% | 0.395 | S | S | . | . | trans | -59.9 | 106.5 | 165.2 | -112.7 | 30.6 | 0 | 0 | 0 | 106.3 | Y619 Y635 R926 | Y619-D637 VanDerWaalsContact CE2-O 3.28Å; Y619-D637 WeakPolarHBondContact CE2-O 3.47Å; Y619-D637 PolarHBondContact OH-O 2.9Å; Y635-D637 PolarHBondContact O-N 2.95Å; D637-R926 IonicContact OD2-CZ 3.74Å; D637-R926 IonicContact OD2-NH1 3.7Å; D637-R926 PolarHBondContact OD2-NH1 2.83Å; D637-R926 IonicContact OD2-NH2 3.65Å | ||
| 638 | D | 76.3 | Confident | 62.9 | Low | 60 Ų | 60 | 63.8 Ų | 63.8 | 32% | 0.321 | 36% | 0.356 | S | S | . | . | trans | -49.3 | 147.3 | -176.6 | 165.8 | 37.8 | 0 | 0 | 0 | 111.3 | M636 T640 Q641 C642 | M636-D638 PolarHBondContact O-N 2.94Å; D638-T640 PolarHBondContact O-N 3.5Å; D638-T640 VanDerWaalsContact O-N 3.09Å; D638-T640 PolarHBondContact OD1-N 3.12Å; D638-T640 WeakPolarHBondContact OD2-CB 3.3Å; D638-T640 WeakPolarHBondContact OD2-CG2 3.38Å; D638-T640 PolarHBondContact OD2-OG1 3.07Å; D638-Q641 HydrophobicContact CB-CG 3.86Å; D638-Q641 CarbonylContact O-C 3.53Å; D638-Q641 WeakPolarHBondContact O-CA 3.15Å; D638-Q641 WeakPolarHBondContact O-CB 3.18Å; D638-Q641 PolarHBondContact O-N 2.95Å; D638-C642 PolarHBondContact O-N 3.25Å | ||
| 639 | I | 83.9 | Confident | 66.1 | Low | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20 | -176.4 | -161.3 | 165.4 | 0 | 0 | 0 | 112.5 | V616 Y619 S645 L967 | V616-I639 HydrophobicContact CB-CD1 4.41Å; V616-I639 HydrophobicContact CG2-CD1 3.67Å; Y619-I639 HydrophobicContact CD2-CB 4.27Å; Y619-I639 HydrophobicContact CD2-CD1 4.31Å; Y619-I639 HydrophobicContact CD2-CG1 4.08Å; Y619-I639 HydrophobicContact CE2-CB 4.41Å; Y619-I639 HydrophobicContact CG-CD1 4.02Å; Y619-I639 HydrophobicContact CG-CG1 4.3Å; I639-S645 WeakPolarHBondContact O-CB 3.39Å; I639-S645 PolarHBondContact O-OG 2.96Å; I639-L967 HydrophobicContact CB-CD2 3.98Å; I639-L967 HydrophobicContact CD1-CD2 4.48Å; I639-L967 HydrophobicContact CG2-CD2 4Å |
| 640 | T | 85 | Confident | 69.4 | Low | 10 Ų | 10 | 51 Ų | 51 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -22.1 | 168.8 | 78.4 | 0 | 0 | 0 | 0 | 113.9 | D638 L646 L960 | D638-T640 PolarHBondContact O-N 3.5Å; D638-T640 VanDerWaalsContact O-N 3.09Å; D638-T640 PolarHBondContact OD1-N 3.12Å; D638-T640 WeakPolarHBondContact OD2-CB 3.3Å; D638-T640 WeakPolarHBondContact OD2-CG2 3.38Å; D638-T640 PolarHBondContact OD2-OG1 3.07Å; T640-L646 WeakPolarHBondContact O-CD2 3.45Å; T640-L960 HydrophobicContact CG2-CB 4.48Å |
| 641 | Q | 84.4 | Confident | 72.6 | Confident | 34 Ų | 34 | 46.9 Ų | 46.9 | 16% | 0.159 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -20.3 | -175.8 | -48.5 | -68.3 | -56.7 | 0 | 0 | 112.4 | D638 P643 N924 R926 | D638-Q641 HydrophobicContact CB-CG 3.86Å; D638-Q641 CarbonylContact O-C 3.53Å; D638-Q641 WeakPolarHBondContact O-CA 3.15Å; D638-Q641 WeakPolarHBondContact O-CB 3.18Å; D638-Q641 PolarHBondContact O-N 2.95Å; Q641-P643 WeakPolarHBondContact O-CD 3.39Å; Q641-N924 VanDerWaalsContact CD-ND2 3.26Å; Q641-N924 PolarHBondContact NE2-ND2 2.92Å; Q641-N924 VanDerWaalsContact NE2-ND2 3.13Å; Q641-N924 PolarHBondContact OE1-ND2 3.38Å; Q641-N924 VanDerWaalsContact OE1-ND2 3.11Å; Q641-N924 PolarHBondContact OE1-OD1 2.85Å; Q641-R926 VanDerWaalsContact O-CD 3.3Å; Q641-R926 WeakPolarHBondContact O-CD 3.38Å; Q641-R926 PolarHBondContact O-NH1 3.39Å |
| 642 | C | 88.2 | Confident | 76 | Confident | 14 Ų | 14 | 38.3 Ų | 38.3 | 10% | 0.095 | 21% | 0.206 | C | C | . | . | trans | -64 | 119.8 | -177.1 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | Y619 D638 I644 S645 L646 | Y619-C642 HydrophobicContact CE2-CB 4.44Å; D638-C642 PolarHBondContact O-N 3.25Å; C642-I644 PolarHBondContact O-N 2.99Å; C642-I644 VanDerWaalsContact O-N 3.09Å; C642-S645 WeakPolarHBondContact O-CB 3.46Å; C642-S645 PolarHBondContact O-N 3.48Å; C642-S645 VanDerWaalsContact O-N 3.13Å; C642-L646 WeakPolarHBondContact O-CG 3.31Å; C642-L646 PolarHBondContact O-N 3.08Å | ||
| 643 | P | 91.4 | Very high | 79.2 | Confident | 7 Ų | 7 | 33.9 Ų | 33.9 | 5% | 0.045 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.7 | -27.3 | -177 | -26.8 | 36.3 | 0 | 0 | 0 | 114.2 | Q641 T647 Y768 I771 N772 | Q641-P643 WeakPolarHBondContact O-CD 3.39Å; P643-T647 VanDerWaalsContact O-CB 3.28Å; P643-T647 WeakPolarHBondContact O-CB 3.38Å; P643-T647 PolarHBondContact O-N 2.58Å; P643-T647 PolarHBondContact O-OG1 3.41Å; P643-Y768 HydrophobicContact CB-CD2 3.97Å; P643-Y768 HydrophobicContact CB-CE2 3.79Å; P643-I771 HydrophobicContact CB-CB 4.21Å; P643-I771 HydrophobicContact CB-CG2 3.81Å; P643-I771 HydrophobicContact CG-CG2 4.28Å; P643-N772 HydrophobicContact CB-CB 4.04Å; P643-N772 HydrophobicContact CG-CB 4.18Å |
| 644 | I | 92.4 | Very high | 82.4 | Confident | 10 Ų | 10 | 27.3 Ų | 27.3 | 5% | 0.051 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.2 | -49.1 | 178.3 | -57 | 172.1 | 0 | 0 | 0 | 110.1 | R622 C642 T647 F648 Y714 L718 F764 Y768 | R622-I644 VanDerWaalsContact NH1-CD1 3.26Å; C642-I644 PolarHBondContact O-N 2.99Å; C642-I644 VanDerWaalsContact O-N 3.09Å; I644-T647 PolarHBondContact O-N 3.08Å; I644-F648 VanDerWaalsContact O-CB 3.31Å; I644-F648 WeakPolarHBondContact O-CB 3.35Å; I644-F648 PolarHBondContact O-N 2.8Å; I644-Y714 HydrophobicContact CD1-CD1 4.19Å; I644-Y714 HydrophobicContact CD1-CD2 3.52Å; I644-Y714 HydrophobicContact CD1-CE2 4.04Å; I644-Y714 HydrophobicContact CD1-CG 3.61Å; I644-Y714 HydrophobicContact CG1-CD2 4.49Å; I644-L718 HydrophobicContact CG2-CD1 4.07Å; I644-F764 HydrophobicContact CG2-CZ 4.26Å; I644-Y768 HydrophobicContact CD1-CE2 4.39Å; I644-Y768 HydrophobicContact CG1-CD2 4.05Å; I644-Y768 HydrophobicContact CG1-CE2 3.53Å |
| 645 | S | 93.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.9 | -47.4 | 175.6 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | N615 I639 C642 F648 G649 Y959 | N615-S645 PolarHBondContact ND2-OG 2.98Å; N615-S645 WeakPolarHBondContact OD1-CA 3.27Å; N615-S645 VanDerWaalsContact OD1-CB 3.31Å; N615-S645 WeakPolarHBondContact OD1-CB 3.49Å; I639-S645 WeakPolarHBondContact O-CB 3.39Å; I639-S645 PolarHBondContact O-OG 2.96Å; C642-S645 WeakPolarHBondContact O-CB 3.46Å; C642-S645 PolarHBondContact O-N 3.48Å; C642-S645 VanDerWaalsContact O-N 3.13Å; S645-F648 PolarHBondContact O-N 3.41Å; S645-G649 PolarHBondContact O-N 2.9Å; S645-G649 VanDerWaalsContact O-N 3.07Å; S645-Y959 WeakPolarHBondContact O-CE1 3.37Å; S645-Y959 PolarHBondContact O-OH 2.88Å; S645-Y959 PolarHBondContact OG-OH 3.34Å |
| 646 | L | 95.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 177.1 | -71.9 | 172.8 | 0 | 0 | 0 | 112.3 | T640 C642 A650 I771 R926 V930 F956 L960 | T640-L646 WeakPolarHBondContact O-CD2 3.45Å; C642-L646 WeakPolarHBondContact O-CG 3.31Å; C642-L646 PolarHBondContact O-N 3.08Å; L646-A650 VanDerWaalsContact O-CB 3.28Å; L646-A650 WeakPolarHBondContact O-CB 3.34Å; L646-A650 PolarHBondContact O-N 2.99Å; L646-A650 VanDerWaalsContact O-N 3.16Å; L646-I771 HydrophobicContact CB-CD1 4.13Å; L646-I771 HydrophobicContact CD1-CG2 3.96Å; L646-R926 HydrophobicContact CD1-CB 3.7Å; L646-V930 HydrophobicContact CB-CG2 4.06Å; L646-V930 HydrophobicContact CD1-CG2 4.49Å; L646-V930 HydrophobicContact CD2-CG2 4.44Å; L646-F956 HydrophobicContact CD2-CE1 4.12Å; L646-F956 HydrophobicContact CD2-CZ 3.6Å; L646-L960 HydrophobicContact CD2-CD1 4.29Å |
| 647 | T | 96.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -60.8 | -49.2 | 177.4 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | P643 I644 I651 F764 I767 Y768 I771 | P643-T647 VanDerWaalsContact O-CB 3.28Å; P643-T647 WeakPolarHBondContact O-CB 3.38Å; P643-T647 PolarHBondContact O-N 2.58Å; P643-T647 PolarHBondContact O-OG1 3.41Å; I644-T647 PolarHBondContact O-N 3.08Å; T647-I651 HydrophobicContact CG2-CD1 3.72Å; T647-I651 WeakPolarHBondContact O-CB 3.3Å; T647-I651 VanDerWaalsContact O-CG1 3.32Å; T647-I651 WeakPolarHBondContact O-CG1 2.99Å; T647-I651 PolarHBondContact O-N 3.48Å; T647-I651 VanDerWaalsContact O-N 3.1Å; T647-F764 HydrophobicContact CG2-CD1 4.24Å; T647-F764 HydrophobicContact CG2-CD2 3.49Å; T647-F764 VanDerWaalsContact CG2-CD2 3.49Å; T647-F764 HydrophobicContact CG2-CE1 4.31Å; T647-F764 HydrophobicContact CG2-CE2 3.58Å; T647-F764 HydrophobicContact CG2-CG 3.84Å; T647-F764 HydrophobicContact CG2-CZ 3.99Å; T647-I767 HydrophobicContact CG2-CB 4.07Å; T647-I767 HydrophobicContact CG2-CG2 3.85Å; T647-Y768 WeakPolarHBondContact OG1-CA 3.06Å; T647-I771 WeakPolarHBondContact OG1-CD1 3.44Å |
| 648 | F | 96.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 8.1 Ų | 8.1 | 0% | 0.004 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -63.3 | -50.8 | -174.9 | -177.6 | -128.7 | 0 | 0 | 0 | 111.7 | I611 I614 N615 I644 S645 I651 C652 L718 M757 F758 F764 | I611-F648 HydrophobicContact CB-CE1 4.48Å; I611-F648 HydrophobicContact CG2-CD1 3.9Å; I611-F648 HydrophobicContact CG2-CE1 3.49Å; I611-F648 VanDerWaalsContact CG2-CE1 3.49Å; I611-F648 HydrophobicContact CG2-CZ 4.08Å; I614-F648 HydrophobicContact CB-CE1 4.32Å; I614-F648 HydrophobicContact CG2-CE1 4.05Å; I614-F648 HydrophobicContact CG2-CZ 4.13Å; N615-F648 HydrophobicContact CB-CD1 4.31Å; I644-F648 VanDerWaalsContact O-CB 3.31Å; I644-F648 WeakPolarHBondContact O-CB 3.35Å; I644-F648 PolarHBondContact O-N 2.8Å; S645-F648 PolarHBondContact O-N 3.41Å; F648-I651 PolarHBondContact O-N 3.03Å; F648-C652 VanDerWaalsContact CE2-SG 3.58Å; F648-C652 PolarHBondContact O-N 2.89Å; F648-C652 PolarHBondContact O-SG 3.37Å; F648-L718 HydrophobicContact CB-CD1 4.22Å; F648-L718 HydrophobicContact CD1-CD2 4.06Å; F648-L718 HydrophobicContact CD2-CD1 4.06Å; F648-L718 HydrophobicContact CE1-CD2 4.16Å; F648-L718 HydrophobicContact CG-CD1 4.06Å; F648-L718 HydrophobicContact CG-CD2 4.33Å; F648-M757 HydrophobicContact CZ-CE 4.23Å; F648-F758 HydrophobicContact CD2-CE1 4.47Å; F648-F758 HydrophobicContact CE2-CD1 4.33Å; F648-F758 AromaticContact CE2-CE1 3.71Å; F648-F758 HydrophobicContact CE2-CE1 3.71Å; F648-F758 AromaticContact CE2-CZ 3.84Å; F648-F758 HydrophobicContact CE2-CZ 3.84Å; F648-F758 HydrophobicContact CZ-CE1 4.4Å; F648-F758 HydrophobicContact CZ-CZ 4.12Å; F648-F764 HydrophobicContact CB-CE2 4.14Å |
| 649 | G | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -61 | -47.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | S645 I651 C652 I653 Y959 | S645-G649 PolarHBondContact O-N 2.9Å; S645-G649 VanDerWaalsContact O-N 3.07Å; G649-I651 VanDerWaalsContact C-N 3.34Å; G649-I651 PolarHBondContact O-N 3.01Å; G649-C652 PolarHBondContact O-N 2.95Å; G649-I653 WeakPolarHBondContact O-CB 3.33Å; G649-I653 WeakPolarHBondContact O-CG1 3.5Å; G649-I653 PolarHBondContact O-N 3.48Å; G649-Y959 VanDerWaalsContact CA-CE1 3.47Å |
| 650 | A | 97.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62 | -41.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L646 C654 V930 I935 F956 | L646-A650 VanDerWaalsContact O-CB 3.28Å; L646-A650 WeakPolarHBondContact O-CB 3.34Å; L646-A650 PolarHBondContact O-N 2.99Å; L646-A650 VanDerWaalsContact O-N 3.16Å; A650-C654 VanDerWaalsContact O-CB 3.27Å; A650-C654 WeakPolarHBondContact O-CB 3.11Å; A650-C654 PolarHBondContact O-N 3.05Å; A650-C654 PolarHBondContact O-SG 3.36Å; A650-V930 HydrophobicContact CB-CG1 3.77Å; A650-I935 HydrophobicContact CB-CD1 4.48Å; A650-I935 HydrophobicContact CB-CG1 4.12Å; A650-F956 HydrophobicContact CB-CE2 4.09Å |
| 651 | I | 97.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 13.3 Ų | 13.3 | 2% | 0.021 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.7 | -48.6 | 176.3 | -70.4 | 174.4 | 0 | 0 | 0 | 111.2 | T647 F648 G649 I653 T655 P759 L763 F764 I767 | T647-I651 HydrophobicContact CG2-CD1 3.72Å; T647-I651 WeakPolarHBondContact O-CB 3.3Å; T647-I651 VanDerWaalsContact O-CG1 3.32Å; T647-I651 WeakPolarHBondContact O-CG1 2.99Å; T647-I651 PolarHBondContact O-N 3.48Å; T647-I651 VanDerWaalsContact O-N 3.1Å; F648-I651 PolarHBondContact O-N 3.03Å; G649-I651 VanDerWaalsContact C-N 3.34Å; G649-I651 PolarHBondContact O-N 3.01Å; I651-I653 PolarHBondContact O-N 2.97Å; I651-T655 VanDerWaalsContact O-CB 3.26Å; I651-T655 WeakPolarHBondContact O-CB 3.38Å; I651-T655 PolarHBondContact O-N 3.34Å; I651-T655 PolarHBondContact O-OG1 2.97Å; I651-P759 HydrophobicContact CG2-CG 3.38Å; I651-L763 HydrophobicContact CD1-CD2 4.27Å; I651-L763 HydrophobicContact CD1-CG 4.15Å; I651-L763 HydrophobicContact CG1-CD2 4.22Å; I651-L763 HydrophobicContact CG1-CG 4.49Å; I651-L763 HydrophobicContact CG2-CD2 4.26Å; I651-F764 HydrophobicContact CD1-CB 4.03Å; I651-F764 HydrophobicContact CD1-CD2 4.05Å; I651-F764 HydrophobicContact CD1-CG 4.42Å; I651-I767 HydrophobicContact CD1-CD1 4Å; I651-I767 HydrophobicContact CG1-CD1 3.86Å |
| 652 | C | 96.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.6 | -48.7 | -179.4 | -66.5 | 0 | 0 | 0 | 0 | 111.6 | I611 F648 G649 T655 Y656 M757 | I611-C652 HydrophobicContact CD1-CB 3.69Å; I611-C652 HydrophobicContact CG2-CB 4.49Å; F648-C652 VanDerWaalsContact CE2-SG 3.58Å; F648-C652 PolarHBondContact O-N 2.89Å; F648-C652 PolarHBondContact O-SG 3.37Å; G649-C652 PolarHBondContact O-N 2.95Å; C652-T655 PolarHBondContact O-N 3.04Å; C652-Y656 WeakPolarHBondContact O-CB 3.27Å; C652-Y656 PolarHBondContact O-N 2.99Å; C652-M757 PolarHBondContact SG-O 3.47Å; C652-M757 VanDerWaalsContact SG-O 3.38Å |
| 653 | I | 95.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -71 | -43.8 | -174.3 | -70.5 | 163 | 0 | 0 | 0 | 111.2 | W607 L608 G649 I651 T655 Y656 I657 A952 L955 F956 Y959 | W607-I653 HydrophobicContact CH2-CG1 4.05Å; W607-I653 HydrophobicContact CZ3-CG1 4.23Å; L608-I653 HydrophobicContact CD2-CD1 3.98Å; L608-I653 HydrophobicContact CD2-CG1 4.02Å; G649-I653 WeakPolarHBondContact O-CB 3.33Å; G649-I653 WeakPolarHBondContact O-CG1 3.5Å; G649-I653 PolarHBondContact O-N 3.48Å; I651-I653 PolarHBondContact O-N 2.97Å; I653-T655 VanDerWaalsContact C-N 3.32Å; I653-T655 PolarHBondContact O-N 3.4Å; I653-Y656 PolarHBondContact O-N 3.43Å; I653-I657 HydrophobicContact CG2-CD1 4.03Å; I653-I657 WeakPolarHBondContact O-CG1 3.48Å; I653-I657 PolarHBondContact O-N 2.88Å; I653-A952 HydrophobicContact CG2-CB 4.33Å; I653-L955 HydrophobicContact CD1-CB 4.22Å; I653-L955 HydrophobicContact CG1-CB 4.39Å; I653-L955 HydrophobicContact CG2-CB 3.77Å; I653-L955 HydrophobicContact CG2-CD1 4.13Å; I653-F956 HydrophobicContact CD1-CB 4.13Å; I653-F956 HydrophobicContact CD1-CD2 4.17Å; I653-Y959 HydrophobicContact CD1-CG 4.48Å |
| 654 | C | 95.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 174.7 | -66.1 | 0 | 0 | 0 | 0 | 111.3 | A650 I657 L658 L938 L939 | A650-C654 VanDerWaalsContact O-CB 3.27Å; A650-C654 WeakPolarHBondContact O-CB 3.11Å; A650-C654 PolarHBondContact O-N 3.05Å; A650-C654 PolarHBondContact O-SG 3.36Å; C654-I657 PolarHBondContact O-N 3.23Å; C654-L658 VanDerWaalsContact O-CB 3.28Å; C654-L658 WeakPolarHBondContact O-CB 3.42Å; C654-L658 WeakPolarHBondContact O-CD1 3.21Å; C654-L658 WeakPolarHBondContact O-CG 3.43Å; C654-L658 PolarHBondContact O-N 3.33Å; C654-L938 HydrophobicContact CB-CB 3.75Å; C654-L938 HydrophobicContact CB-CD1 3.85Å; C654-L938 HydrophobicContact CB-CG 4.42Å; C654-L939 HydrophobicContact CB-CD2 4.27Å |
| 655 | T | 93.8 | Very high | 88 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.7 | -39.2 | 179.7 | -51.2 | 0 | 0 | 0 | 0 | 112.1 | I651 C652 I653 L658 I659 F678 M756 P759 | I651-T655 VanDerWaalsContact O-CB 3.26Å; I651-T655 WeakPolarHBondContact O-CB 3.38Å; I651-T655 PolarHBondContact O-N 3.34Å; I651-T655 PolarHBondContact O-OG1 2.97Å; C652-T655 PolarHBondContact O-N 3.04Å; I653-T655 VanDerWaalsContact C-N 3.32Å; I653-T655 PolarHBondContact O-N 3.4Å; T655-L658 PolarHBondContact O-N 2.84Å; T655-I659 HydrophobicContact CG2-CD1 3.8Å; T655-I659 WeakPolarHBondContact O-CG1 3.25Å; T655-I659 PolarHBondContact O-N 2.96Å; T655-I659 VanDerWaalsContact O-N 3.08Å; T655-F678 HydrophobicContact CG2-CE2 3.95Å; T655-F678 HydrophobicContact CG2-CZ 3.92Å; T655-F678 VanDerWaalsContact OG1-CZ 3.3Å; T655-F678 WeakPolarHBondContact OG1-CZ 3.33Å; T655-M756 WeakPolarHBondContact CB-O 3.4Å; T655-M756 HydrophobicContact CG2-CB 4.45Å; T655-P759 HydrophobicContact CG2-CB 4.2Å; T655-P759 HydrophobicContact CG2-CG 4.36Å |
| 656 | Y | 92.4 | Very high | 86.7 | Confident | 25 Ų | 25 | 32 Ų | 32 | 10% | 0.098 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.7 | -52.5 | 171.3 | 171.8 | -97.4 | 0 | 0 | 0 | 111.4 | W607 C652 I653 L658 I659 K660 L752 M756 | W607-Y656 HydrophobicContact CD2-CD2 4.45Å; W607-Y656 HydrophobicContact CD2-CE2 4.33Å; W607-Y656 AromaticContact CE2-CD2 3.96Å; W607-Y656 AromaticContact CE2-CE1 3.95Å; W607-Y656 AromaticContact CE2-CE2 3.62Å; W607-Y656 AromaticContact CE2-CZ 3.59Å; W607-Y656 AromaticContact CH2-CD1 3.68Å; W607-Y656 HydrophobicContact CH2-CD1 3.68Å; W607-Y656 HydrophobicContact CH2-CD2 4.17Å; W607-Y656 HydrophobicContact CH2-CE1 4.11Å; W607-Y656 AromaticContact CH2-CG 3.7Å; W607-Y656 HydrophobicContact CH2-CG 3.7Å; W607-Y656 AromaticContact CZ2-CD1 3.4Å; W607-Y656 HydrophobicContact CZ2-CD1 3.4Å; W607-Y656 AromaticContact CZ2-CD2 3.86Å; W607-Y656 HydrophobicContact CZ2-CD2 3.86Å; W607-Y656 AromaticContact CZ2-CE1 3.33Å; W607-Y656 HydrophobicContact CZ2-CE1 3.33Å; W607-Y656 AromaticContact CZ2-CE2 3.78Å; W607-Y656 HydrophobicContact CZ2-CE2 3.78Å; W607-Y656 AromaticContact CZ2-CG 3.66Å; W607-Y656 HydrophobicContact CZ2-CG 3.66Å; W607-Y656 AromaticContact CZ2-CZ 3.51Å; W607-Y656 HydrophobicContact CZ3-CG 4.37Å; W607-Y656 AromaticContact NE1-CE2 3.58Å; W607-Y656 AromaticContact NE1-CZ 3.44Å; W607-Y656 PolarHBondContact NE1-OH 3.49Å; C652-Y656 WeakPolarHBondContact O-CB 3.27Å; C652-Y656 PolarHBondContact O-N 2.99Å; I653-Y656 PolarHBondContact O-N 3.43Å; Y656-L658 PolarHBondContact O-N 2.99Å; Y656-I659 PolarHBondContact O-N 3.09Å; Y656-K660 HydrophobicContact CD1-CD 4.43Å; Y656-K660 HydrophobicContact CE1-CD 3.59Å; Y656-K660 HydrophobicContact CE2-CD 4.18Å; Y656-K660 VanDerWaalsContact CZ-CD 3.46Å; Y656-K660 WeakPolarHBondContact O-CB 3.31Å; Y656-K660 PolarHBondContact O-N 3.25Å; Y656-K660 WeakPolarHBondContact OH-CD 3.41Å; Y656-K660 PolarHBondContact OH-NZ 3.15Å; Y656-L752 HydrophobicContact CD2-CD1 3.8Å; Y656-L752 HydrophobicContact CD2-CD2 3.68Å; Y656-L752 HydrophobicContact CD2-CG 4.42Å; Y656-L752 HydrophobicContact CE2-CD2 3.93Å; Y656-L752 HydrophobicContact CG-CD1 4.27Å; Y656-M756 HydrophobicContact CD2-SD 4.41Å |
| 657 | I | 91.6 | Very high | 85.2 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.5 | -48.1 | 179.6 | -68.4 | 170 | 0 | 0 | 0 | 110.8 | I653 C654 I659 K660 H661 L939 Y948 A952 L955 | I653-I657 HydrophobicContact CG2-CD1 4.03Å; I653-I657 WeakPolarHBondContact O-CG1 3.48Å; I653-I657 PolarHBondContact O-N 2.88Å; C654-I657 PolarHBondContact O-N 3.23Å; I657-I659 PolarHBondContact O-N 3.1Å; I657-K660 PolarHBondContact O-N 3.3Å; I657-H661 WeakPolarHBondContact O-CB 3.47Å; I657-H661 PolarHBondContact O-N 3.09Å; I657-L939 HydrophobicContact CB-CD2 4.17Å; I657-L939 HydrophobicContact CG2-CD2 3.85Å; I657-Y948 HydrophobicContact CG2-CD2 4.16Å; I657-Y948 HydrophobicContact CG2-CG 3.95Å; I657-A952 HydrophobicContact CD1-CB 3.44Å; I657-A952 VanDerWaalsContact CD1-CB 3.44Å; I657-L955 HydrophobicContact CD1-CD1 4.16Å; I657-L955 HydrophobicContact CG1-CD1 4.34Å |
| 658 | L | 89.9 | Confident | 83.8 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.6 | -24.4 | -178.3 | -71.6 | 167.1 | 0 | 0 | 0 | 113.6 | C654 T655 Y656 Y662 Y664 L674 F678 L938 L939 | C654-L658 VanDerWaalsContact O-CB 3.28Å; C654-L658 WeakPolarHBondContact O-CB 3.42Å; C654-L658 WeakPolarHBondContact O-CD1 3.21Å; C654-L658 WeakPolarHBondContact O-CG 3.43Å; C654-L658 PolarHBondContact O-N 3.33Å; T655-L658 PolarHBondContact O-N 2.84Å; Y656-L658 PolarHBondContact O-N 2.99Å; L658-Y662 HydrophobicContact CD2-CE2 3.66Å; L658-Y662 WeakPolarHBondContact O-CD2 3.28Å; L658-Y664 WeakPolarHBondContact O-CE2 3.29Å; L658-L674 HydrophobicContact CB-CD1 4.04Å; L658-L674 HydrophobicContact CD1-CD1 3.91Å; L658-L674 HydrophobicContact CG-CD1 4.48Å; L658-F678 HydrophobicContact CD1-CE1 3.6Å; L658-F678 HydrophobicContact CD1-CZ 3.97Å; L658-L938 WeakPolarHBondContact CD1-O 3.44Å; L658-L939 HydrophobicContact CD2-CD2 4.4Å; L658-L939 HydrophobicContact CG-CD2 4.21Å |
| 659 | I | 88.2 | Confident | 82.6 | Confident | 18 Ų | 18 | 38 Ų | 38 | 9% | 0.092 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -96.2 | -33.5 | 176.5 | -61.5 | 170.3 | 0 | 0 | 0 | 111.7 | T655 Y656 I657 Y670 L674 Y755 M756 | T655-I659 HydrophobicContact CG2-CD1 3.8Å; T655-I659 WeakPolarHBondContact O-CG1 3.25Å; T655-I659 PolarHBondContact O-N 2.96Å; T655-I659 VanDerWaalsContact O-N 3.08Å; Y656-I659 PolarHBondContact O-N 3.09Å; I657-I659 PolarHBondContact O-N 3.1Å; I659-Y670 HydrophobicContact CD1-CD2 4.18Å; I659-Y670 HydrophobicContact CD1-CE2 3.92Å; I659-Y670 HydrophobicContact CG1-CD2 4.25Å; I659-Y670 HydrophobicContact CG1-CE2 4.38Å; I659-Y670 HydrophobicContact CG2-CD1 4.2Å; I659-Y670 HydrophobicContact CG2-CE1 3.9Å; I659-Y670 HydrophobicContact CG2-CE2 4.41Å; I659-L674 HydrophobicContact CD1-CD2 3.77Å; I659-L674 HydrophobicContact CG1-CD2 3.49Å; I659-L674 VanDerWaalsContact CG1-CD2 3.49Å; I659-Y755 HydrophobicContact CD1-CD2 3.96Å; I659-Y755 HydrophobicContact CD1-CE2 4.02Å; I659-M756 HydrophobicContact CB-CE 4.13Å; I659-M756 HydrophobicContact CD1-CE 4.38Å; I659-M756 HydrophobicContact CD1-CG 4.11Å; I659-M756 HydrophobicContact CG2-CE 3.76Å |
| 660 | K | 84.7 | Confident | 81.8 | Confident | 110 Ų | 110 | 38.5 Ų | 38.5 | 48% | 0.478 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -73 | -42.1 | -180 | 175.1 | -179.7 | 174.2 | -171.6 | 0 | 113.5 | Y656 I657 | Y656-K660 HydrophobicContact CD1-CD 4.43Å; Y656-K660 HydrophobicContact CE1-CD 3.59Å; Y656-K660 HydrophobicContact CE2-CD 4.18Å; Y656-K660 VanDerWaalsContact CZ-CD 3.46Å; Y656-K660 WeakPolarHBondContact O-CB 3.31Å; Y656-K660 PolarHBondContact O-N 3.25Å; Y656-K660 WeakPolarHBondContact OH-CD 3.41Å; Y656-K660 PolarHBondContact OH-NZ 3.15Å; I657-K660 PolarHBondContact O-N 3.3Å |
| 661 | H | 79.9 | Confident | 81.1 | Confident | 52 Ų | 52 | 38.7 Ų | 38.7 | 24% | 0.241 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -96.6 | -5.5 | -169.3 | -72.6 | -96.1 | 0 | 0 | 0 | 114.5 | I657 Y948 | I657-H661 WeakPolarHBondContact O-CB 3.47Å; I657-H661 PolarHBondContact O-N 3.09Å; H661-Y948 HydrophobicContact CB-CD2 4.1Å; H661-Y948 HydrophobicContact CB-CE1 4.17Å; H661-Y948 HydrophobicContact CB-CE2 3.5Å; H661-Y948 VanDerWaalsContact CB-CE2 3.5Å; H661-Y948 AromaticContact CE1-CE1 3.91Å; H661-Y948 AromaticContact CG-CE1 3.81Å; H661-Y948 AromaticContact CG-CZ 3.69Å; H661-Y948 AromaticContact ND1-CD1 3.91Å; H661-Y948 AromaticContact ND1-CE1 3.24Å; H661-Y948 WeakPolarHBondContact ND1-CE1 3.26Å; H661-Y948 AromaticContact ND1-CZ 3.41Å; H661-Y948 PolarHBondContact ND1-OH 2.93Å |
| 662 | Y | 73.7 | Confident | 80.6 | Confident | 11 Ų | 11 | 46.9 Ų | 46.9 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -99.3 | 124.8 | 172.5 | -73.6 | -110.8 | 0 | 0 | 0 | 107.5 | L658 Y664 Y941 Q942 Y944 | L658-Y662 HydrophobicContact CD2-CE2 3.66Å; L658-Y662 WeakPolarHBondContact O-CD2 3.28Å; Y662-Y664 HydrophobicContact CG-CE2 4.02Å; Y662-Y664 WeakPolarHBondContact O-CD2 3.49Å; Y662-Y664 PolarHBondContact O-N 3.45Å; Y662-Y941 HydrophobicContact CD1-CD1 4.01Å; Y662-Y941 HydrophobicContact CD1-CE1 4.04Å; Y662-Y941 AromaticContact CE1-CD1 3.28Å; Y662-Y941 HydrophobicContact CE1-CD1 3.28Å; Y662-Y941 AromaticContact CE1-CE1 3.68Å; Y662-Y941 HydrophobicContact CE1-CE1 3.68Å; Y662-Y941 HydrophobicContact CE1-CG 4.35Å; Y662-Y941 AromaticContact CZ-CD1 3.63Å; Y662-Y941 WeakPolarHBondContact OH-CB 3.43Å; Y662-Y941 PolarHBondContact OH-O 3.36Å; Y662-Q942 HydrophobicContact CE1-CB 4.3Å; Y662-Y944 HydrophobicContact CD1-CD2 4.47Å; Y662-Y944 HydrophobicContact CD1-CE2 4.11Å; Y662-Y944 AromaticContact CE1-CD2 3.44Å; Y662-Y944 HydrophobicContact CE1-CD2 3.44Å; Y662-Y944 VanDerWaalsContact CE1-CD2 3.44Å; Y662-Y944 AromaticContact CE1-CE2 3.42Å; Y662-Y944 HydrophobicContact CE1-CE2 3.42Å; Y662-Y944 VanDerWaalsContact CE1-CE2 3.42Å; Y662-Y944 HydrophobicContact CE1-CG 4.21Å; Y662-Y944 HydrophobicContact CE2-CD2 4.24Å; Y662-Y944 HydrophobicContact CE2-CG 4.21Å; Y662-Y944 AromaticContact CZ-CD2 3.32Å; Y662-Y944 AromaticContact CZ-CE2 3.79Å; Y662-Y944 AromaticContact CZ-CG 3.69Å; Y662-Y944 WeakPolarHBondContact OH-CB 3.46Å; Y662-Y944 WeakPolarHBondContact OH-CD2 3.46Å |
| 663 | H | 63.6 | Low | 80.2 | Confident | 198 Ų | 198 | 48.6 Ų | 48.6 | 92% | 0.917 | 24% | 0.244 | S | C | * | . | trans | -73.4 | 68 | -176.6 | -73.3 | -80 | 0 | 0 | 0 | 112.4 | S665 | H663-S665 PolarHBondContact O-N 2.9Š| ||
| 664 | Y | 68.7 | Low | 80 | Confident | 51 Ų | 51 | 48.6 Ų | 48.6 | 20% | 0.2 | 24% | 0.244 | C | C | . | . | trans | -78.4 | 101.5 | 176.8 | -68.8 | -61.9 | 0 | 0 | 0 | 110.4 | L658 Y662 N666 S669 Y670 P673 Y941 | L658-Y664 WeakPolarHBondContact O-CE2 3.29Å; Y662-Y664 HydrophobicContact CG-CE2 4.02Å; Y662-Y664 WeakPolarHBondContact O-CD2 3.49Å; Y662-Y664 PolarHBondContact O-N 3.45Å; Y664-N666 PolarHBondContact O-N 2.9Å; Y664-S669 WeakPolarHBondContact CB-OG 3.38Å; Y664-Y670 VanDerWaalsContact CD2-CB 3.47Å; Y664-Y670 HydrophobicContact CD2-CD1 4.07Å; Y664-Y670 HydrophobicContact CD2-CG 4.15Å; Y664-Y670 VanDerWaalsContact CE2-CB 3.4Å; Y664-Y670 HydrophobicContact CE2-CG 4.37Å; Y664-Y670 HydrophobicContact CG-CD1 4.07Å; Y664-Y670 HydrophobicContact CG-CG 4.3Å; Y664-Y670 VanDerWaalsContact CZ-CB 3.48Å; Y664-P673 HydrophobicContact CE1-CG 4.44Å; Y664-Y941 WeakPolarHBondContact OH-CE1 3.33Å | ||
| 665 | S | 62 | Low | 79.8 | Confident | 113 Ų | 113 | 51.6 Ų | 51.6 | 79% | 0.79 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -62.8 | -13.6 | -173.8 | 57.7 | 0 | 0 | 0 | 0 | 115.3 | H663 | H663-S665 PolarHBondContact O-N 2.9Š|
| 666 | N | 66.8 | Low | 79.8 | Confident | 85 Ų | 85 | 58.5 Ų | 58.5 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -158 | 163.1 | 169 | 60.2 | 69 | 0 | 0 | 0 | 111.8 | Y664 L668 S669 | Y664-N666 PolarHBondContact O-N 2.9Å; N666-L668 VanDerWaalsContact C-N 3.3Å; N666-L668 PolarHBondContact O-N 2.85Å; N666-L668 PolarHBondContact OD1-N 2.93Å; N666-S669 WeakPolarHBondContact O-CB 3.36Å; N666-S669 PolarHBondContact O-N 3.28Å; N666-S669 PolarHBondContact O-OG 3.35Å; N666-S669 PolarHBondContact OD1-N 2.96Å |
| 667 | H | 63.8 | Low | 79.8 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 11% | 0.106 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -51.5 | -42.3 | 179.9 | 180 | -84.9 | 0 | 0 | 0 | 113.7 | S60 Q138 S669 Y670 C671 Y755 | S60-H667 PolarHBondContact OG-CE1 3.25Å; S60-H667 PolarHBondContact OG-ND1 2.84Å; Q138-H667 PolarHBondContact OE1-CD2 3.34Å; H667-S669 VanDerWaalsContact C-N 3.29Å; H667-S669 PolarHBondContact O-N 3.42Å; H667-Y670 AromaticContact CD2-CZ 3.68Å; H667-Y670 PolarHBondContact CD2-OH 3.29Å; H667-Y670 AromaticContact NE2-CZ 3.99Å; H667-Y670 PolarHBondContact NE2-OH 2.7Å; H667-Y670 WeakPolarHBondContact O-CD1 3.18Å; H667-C671 PolarHBondContact CE1-SG 2.99Å; H667-C671 PolarHBondContact O-SG 2.85Å; H667-Y755 AromaticContact NE2-CE1 3.83Å |
| 668 | L | 66.3 | Low | 80 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 34% | 0.335 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.8 | -29 | -178 | -175.9 | 63.8 | 0 | 0 | 0 | 112.8 | N666 Y670 | N666-L668 VanDerWaalsContact C-N 3.3Å; N666-L668 PolarHBondContact O-N 2.85Å; N666-L668 PolarHBondContact OD1-N 2.93Å; L668-Y670 VanDerWaalsContact C-N 3.31Å; L668-Y670 PolarHBondContact O-N 2.74Å |
| 669 | S | 71.8 | Confident | 80.2 | Confident | 38 Ų | 38 | 60 Ų | 60 | 27% | 0.266 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.9 | -30.3 | -175.7 | 70.8 | 0 | 0 | 0 | 0 | 113.9 | Y664 N666 H667 P673 | Y664-S669 WeakPolarHBondContact CB-OG 3.38Å; N666-S669 WeakPolarHBondContact O-CB 3.36Å; N666-S669 PolarHBondContact O-N 3.28Å; N666-S669 PolarHBondContact O-OG 3.35Å; N666-S669 PolarHBondContact OD1-N 2.96Å; H667-S669 VanDerWaalsContact C-N 3.29Å; H667-S669 PolarHBondContact O-N 3.42Å; S669-P673 WeakPolarHBondContact O-CD 3.44Å; S669-P673 WeakPolarHBondContact O-CG 2.73Å |
| 670 | Y | 79.3 | Confident | 80.5 | Confident | 12 Ų | 12 | 65.4 Ų | 65.4 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -92.6 | -34.6 | 177.9 | 64 | -105.3 | 0 | 0 | 0 | 115 | L53 I659 Y664 H667 L668 K672 P673 L674 Y755 | L53-Y670 HydrophobicContact CD1-CD2 3.94Å; L53-Y670 HydrophobicContact CD1-CE2 3.76Å; I659-Y670 HydrophobicContact CD1-CD2 4.18Å; I659-Y670 HydrophobicContact CD1-CE2 3.92Å; I659-Y670 HydrophobicContact CG1-CD2 4.25Å; I659-Y670 HydrophobicContact CG1-CE2 4.38Å; I659-Y670 HydrophobicContact CG2-CD1 4.2Å; I659-Y670 HydrophobicContact CG2-CE1 3.9Å; I659-Y670 HydrophobicContact CG2-CE2 4.41Å; Y664-Y670 VanDerWaalsContact CD2-CB 3.47Å; Y664-Y670 HydrophobicContact CD2-CD1 4.07Å; Y664-Y670 HydrophobicContact CD2-CG 4.15Å; Y664-Y670 VanDerWaalsContact CE2-CB 3.4Å; Y664-Y670 HydrophobicContact CE2-CG 4.37Å; Y664-Y670 HydrophobicContact CG-CD1 4.07Å; Y664-Y670 HydrophobicContact CG-CG 4.3Å; Y664-Y670 VanDerWaalsContact CZ-CB 3.48Å; H667-Y670 AromaticContact CD2-CZ 3.68Å; H667-Y670 PolarHBondContact CD2-OH 3.29Å; H667-Y670 AromaticContact NE2-CZ 3.99Å; H667-Y670 PolarHBondContact NE2-OH 2.7Å; H667-Y670 WeakPolarHBondContact O-CD1 3.18Å; L668-Y670 VanDerWaalsContact C-N 3.31Å; L668-Y670 PolarHBondContact O-N 2.74Å; Y670-K672 VanDerWaalsContact C-N 3.29Å; Y670-K672 PolarHBondContact O-N 3.25Å; Y670-P673 WeakPolarHBondContact O-CD 3.15Å; Y670-P673 WeakPolarHBondContact O-CG 3.39Å; Y670-L674 WeakPolarHBondContact O-CB 3.24Å; Y670-L674 PolarHBondContact O-N 3.43Å; Y670-Y755 HydrophobicContact CE2-CD2 4.13Å; Y670-Y755 HydrophobicContact CE2-CE2 4.04Å; Y670-Y755 AromaticContact CZ-CE2 3.83Å; Y670-Y755 WeakPolarHBondContact OH-CE2 3.43Å; Y670-Y755 PolarHBondContact OH-OH 3.43Å; Y670-Y755 VanDerWaalsContact OH-OH 3.09Å |
| 671 | C | 82.1 | Confident | 81 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 3% | 0.027 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.6 | -42.7 | -171.6 | -64.9 | 0 | 0 | 0 | 0 | 112.8 | H667 K675 | H667-C671 PolarHBondContact CE1-SG 2.99Å; H667-C671 PolarHBondContact O-SG 2.85Å; C671-K675 WeakPolarHBondContact O-CB 3.32Å; C671-K675 PolarHBondContact O-N 3.22Å; C671-K675 VanDerWaalsContact O-N 3.08Å |
| 672 | K | 86.5 | Confident | 81.7 | Confident | 175 Ų | 175 | 58 Ų | 58 | 76% | 0.761 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -68.4 | -55.9 | 179.4 | -174.2 | 179.8 | -179.5 | -176.4 | 0 | 113 | Y670 K676 | Y670-K672 VanDerWaalsContact C-N 3.29Å; Y670-K672 PolarHBondContact O-N 3.25Å; K672-K676 PolarHBondContact O-N 2.78Å |
| 673 | P | 88.6 | Confident | 82.6 | Confident | 37 Ų | 37 | 62.1 Ų | 62.1 | 24% | 0.24 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 178.1 | 21.7 | -31.5 | 0 | 0 | 0 | 113.1 | Y664 S669 Y670 K675 K676 H677 Y941 | Y664-P673 HydrophobicContact CE1-CG 4.44Å; S669-P673 WeakPolarHBondContact O-CD 3.44Å; S669-P673 WeakPolarHBondContact O-CG 2.73Å; Y670-P673 WeakPolarHBondContact O-CD 3.15Å; Y670-P673 WeakPolarHBondContact O-CG 3.39Å; P673-K675 PolarHBondContact O-N 3.1Å; P673-K676 CarbonylContact O-C 2.9Å; P673-K676 PolarHBondContact O-N 3.33Å; P673-K676 VanDerWaalsContact O-N 3.13Å; P673-H677 WeakPolarHBondContact O-CB 3.33Å; P673-H677 PolarHBondContact O-N 2.96Å; P673-Y941 VanDerWaalsContact CB-OH 3.32Å; P673-Y941 WeakPolarHBondContact CB-OH 3.45Å |
| 674 | L | 90.8 | Very high | 84 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.4 | -35 | -176.7 | -170.3 | 61 | 0 | 0 | 0 | 112 | L53 L658 I659 Y670 H677 F678 | L53-L674 HydrophobicContact CD2-CB 4.08Å; L53-L674 HydrophobicContact CD2-CD2 3.81Å; L53-L674 HydrophobicContact CD2-CG 3.76Å; L658-L674 HydrophobicContact CB-CD1 4.04Å; L658-L674 HydrophobicContact CD1-CD1 3.91Å; L658-L674 HydrophobicContact CG-CD1 4.48Å; I659-L674 HydrophobicContact CD1-CD2 3.77Å; I659-L674 HydrophobicContact CG1-CD2 3.49Å; I659-L674 VanDerWaalsContact CG1-CD2 3.49Å; Y670-L674 WeakPolarHBondContact O-CB 3.24Å; Y670-L674 PolarHBondContact O-N 3.43Å; L674-H677 PolarHBondContact O-N 3.14Å; L674-F678 HydrophobicContact CD1-CD1 4.35Å; L674-F678 HydrophobicContact CD1-CE1 3.82Å; L674-F678 HydrophobicContact CD1-CE2 4.09Å; L674-F678 HydrophobicContact CD1-CZ 3.67Å; L674-F678 HydrophobicContact CD2-CE2 4.11Å; L674-F678 HydrophobicContact CD2-CZ 4.17Å; L674-F678 HydrophobicContact CG-CD2 4.22Å; L674-F678 HydrophobicContact CG-CE1 4.4Å; L674-F678 HydrophobicContact CG-CE2 3.76Å; L674-F678 HydrophobicContact CG-CZ 3.86Å; L674-F678 WeakPolarHBondContact O-CG 3.41Å; L674-F678 PolarHBondContact O-N 2.9Å |
| 675 | K | 91.7 | Very high | 85.2 | Confident | 63 Ų | 63 | 55 Ų | 55 | 27% | 0.274 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59 | -49.8 | 166.6 | -175.3 | -166.4 | -176 | 177.5 | 0 | 111.3 | L44 A54 C671 P673 H677 F678 Y679 | L44-K675 VanDerWaalsContact CD2-NZ 3.33Å; A54-K675 HydrophobicContact CB-CD 3.5Å; A54-K675 HydrophobicContact CB-CG 4.12Å; C671-K675 WeakPolarHBondContact O-CB 3.32Å; C671-K675 PolarHBondContact O-N 3.22Å; C671-K675 VanDerWaalsContact O-N 3.08Å; P673-K675 PolarHBondContact O-N 3.1Å; K675-H677 PolarHBondContact O-N 3.23Å; K675-F678 PolarHBondContact O-N 2.99Å; K675-Y679 HydrophobicContact CD-CE2 4.34Å; K675-Y679 VanDerWaalsContact CE-CE2 3.49Å; K675-Y679 HydrophobicContact CG-CD2 3.89Å; K675-Y679 HydrophobicContact CG-CE2 3.82Å; K675-Y679 WeakPolarHBondContact O-CD2 3.45Å; K675-Y679 PolarHBondContact O-N 2.85Å |
| 676 | K | 92.8 | Very high | 86.5 | Confident | 147 Ų | 147 | 50.2 Ų | 50.2 | 64% | 0.639 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -61.4 | -35.5 | 180 | -170.1 | 173.8 | -176.9 | 176.9 | 0 | 111.2 | K672 P673 K680 | K672-K676 PolarHBondContact O-N 2.78Å; P673-K676 CarbonylContact O-C 2.9Å; P673-K676 PolarHBondContact O-N 3.33Å; P673-K676 VanDerWaalsContact O-N 3.13Å; K676-K680 WeakPolarHBondContact O-CG 3.33Å; K676-K680 PolarHBondContact O-N 3.06Å |
| 677 | H | 93.6 | Very high | 87.6 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.1 | -56.1 | 173.3 | -178 | 60.9 | 0 | 0 | 0 | 112.2 | P673 L674 K675 Y679 K680 C681 L938 Y941 | P673-H677 WeakPolarHBondContact O-CB 3.33Å; P673-H677 PolarHBondContact O-N 2.96Å; L674-H677 PolarHBondContact O-N 3.14Å; K675-H677 PolarHBondContact O-N 3.23Å; H677-Y679 VanDerWaalsContact C-N 3.32Å; H677-Y679 PolarHBondContact O-N 2.97Å; H677-K680 CarbonylContact O-C 3.39Å; H677-K680 WeakPolarHBondContact O-CA 3.47Å; H677-K680 WeakPolarHBondContact O-CB 3.49Å; H677-K680 PolarHBondContact O-N 2.67Å; H677-C681 PolarHBondContact CE1-SG 3.46Å; H677-C681 PolarHBondContact NE2-SG 3.21Å; H677-C681 PolarHBondContact O-N 2.73Å; H677-C681 PolarHBondContact O-SG 3.06Å; H677-C681 VanDerWaalsContact O-SG 3.4Å; H677-L938 PolarHBondContact NE2-O 3.04Å; H677-Y941 HydrophobicContact CB-CD2 3.82Å; H677-Y941 HydrophobicContact CB-CE2 4.25Å; H677-Y941 HydrophobicContact CB-CG 4.48Å; H677-Y941 PolarHBondContact CE1-N 2.85Å; H677-Y941 AromaticContact CG-CD2 3.61Å; H677-Y941 AromaticContact ND1-CD2 3.56Å |
| 678 | F | 95.1 | Very high | 88.7 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -37.8 | -179.9 | -70.1 | -22.5 | 0 | 0 | 0 | 113.5 | L53 T655 L658 L674 K675 K680 C681 A682 P759 L763 L938 | L53-F678 HydrophobicContact CD2-CD2 3.78Å; L53-F678 HydrophobicContact CD2-CE2 3.68Å; T655-F678 HydrophobicContact CG2-CE2 3.95Å; T655-F678 HydrophobicContact CG2-CZ 3.92Å; T655-F678 VanDerWaalsContact OG1-CZ 3.3Å; T655-F678 WeakPolarHBondContact OG1-CZ 3.33Å; L658-F678 HydrophobicContact CD1-CE1 3.6Å; L658-F678 HydrophobicContact CD1-CZ 3.97Å; L674-F678 HydrophobicContact CD1-CD1 4.35Å; L674-F678 HydrophobicContact CD1-CE1 3.82Å; L674-F678 HydrophobicContact CD1-CE2 4.09Å; L674-F678 HydrophobicContact CD1-CZ 3.67Å; L674-F678 HydrophobicContact CD2-CE2 4.11Å; L674-F678 HydrophobicContact CD2-CZ 4.17Å; L674-F678 HydrophobicContact CG-CD2 4.22Å; L674-F678 HydrophobicContact CG-CE1 4.4Å; L674-F678 HydrophobicContact CG-CE2 3.76Å; L674-F678 HydrophobicContact CG-CZ 3.86Å; L674-F678 WeakPolarHBondContact O-CG 3.41Å; L674-F678 PolarHBondContact O-N 2.9Å; K675-F678 PolarHBondContact O-N 2.99Å; F678-K680 PolarHBondContact O-N 2.81Å; F678-C681 PolarHBondContact O-N 3.44Å; F678-A682 WeakPolarHBondContact O-CB 3.35Å; F678-A682 PolarHBondContact O-N 3.33Å; F678-P759 HydrophobicContact CD2-CB 4.11Å; F678-P759 HydrophobicContact CE2-CB 3.75Å; F678-P759 HydrophobicContact CE2-CG 4.14Å; F678-L763 HydrophobicContact CB-CD1 4.34Å; F678-L763 HydrophobicContact CB-CD2 4.05Å; F678-L763 HydrophobicContact CD1-CD2 4.05Å; F678-L763 HydrophobicContact CD2-CD2 4.1Å; F678-L763 HydrophobicContact CG-CD2 3.82Å; F678-L938 HydrophobicContact CD1-CD2 4.07Å; F678-L938 HydrophobicContact CE1-CD2 4.18Å |
| 679 | Y | 94.2 | Very high | 89.6 | Confident | 38 Ų | 38 | 48 Ų | 48 | 15% | 0.149 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 171.8 | -88.4 | -120.3 | 0 | 0 | 0 | 111.9 | Y45 K675 H677 Q683 Y762 | Y45-Y679 HydrophobicContact CD2-CE1 4.27Å; Y45-Y679 VanDerWaalsContact CD2-OH 3.28Å; Y45-Y679 WeakPolarHBondContact CD2-OH 3.45Å; Y45-Y679 AromaticContact CE2-CE1 3.51Å; Y45-Y679 HydrophobicContact CE2-CE1 3.51Å; Y45-Y679 AromaticContact CE2-CZ 3.78Å; Y45-Y679 WeakPolarHBondContact CE2-OH 3.22Å; K675-Y679 HydrophobicContact CD-CE2 4.34Å; K675-Y679 VanDerWaalsContact CE-CE2 3.49Å; K675-Y679 HydrophobicContact CG-CD2 3.89Å; K675-Y679 HydrophobicContact CG-CE2 3.82Å; K675-Y679 WeakPolarHBondContact O-CD2 3.45Å; K675-Y679 PolarHBondContact O-N 2.85Å; H677-Y679 VanDerWaalsContact C-N 3.32Å; H677-Y679 PolarHBondContact O-N 2.97Å; Y679-Q683 WeakPolarHBondContact O-CG 3.3Å; Y679-Q683 PolarHBondContact O-N 3.37Å; Y679-Q683 VanDerWaalsContact O-N 3.11Å; Y679-Y762 HydrophobicContact CD1-CD1 4.32Å; Y679-Y762 HydrophobicContact CD1-CE1 4.25Å; Y679-Y762 HydrophobicContact CD2-CD1 4.45Å; Y679-Y762 HydrophobicContact CE1-CD1 4.34Å; Y679-Y762 HydrophobicContact CE2-CD1 4.45Å; Y679-Y762 HydrophobicContact CG-CD1 4.4Å; Y679-Y762 HydrophobicContact CG-CE1 4.43Å |
| 680 | K | 94.9 | Very high | 90.1 | Very high | 131 Ų | 131 | 51.6 Ų | 51.6 | 57% | 0.57 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64.9 | -43.7 | 173.3 | -79.3 | -172.4 | 170.3 | -159.9 | 0 | 112.4 | K676 H677 F678 A682 Q683 H684 | K676-K680 WeakPolarHBondContact O-CG 3.33Å; K676-K680 PolarHBondContact O-N 3.06Å; H677-K680 CarbonylContact O-C 3.39Å; H677-K680 WeakPolarHBondContact O-CA 3.47Å; H677-K680 WeakPolarHBondContact O-CB 3.49Å; H677-K680 PolarHBondContact O-N 2.67Å; F678-K680 PolarHBondContact O-N 2.81Å; K680-A682 PolarHBondContact O-N 2.97Å; K680-Q683 PolarHBondContact O-N 2.88Å; K680-H684 VanDerWaalsContact O-CB 3.26Å; K680-H684 WeakPolarHBondContact O-CB 3.38Å; K680-H684 PolarHBondContact O-N 3.49Å |
| 681 | C | 94.9 | Very high | 90.1 | Very high | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.034 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 175.8 | -65.9 | 0 | 0 | 0 | 0 | 111.5 | H677 F678 Q683 H684 L685 T937 L938 | H677-C681 PolarHBondContact CE1-SG 3.46Å; H677-C681 PolarHBondContact NE2-SG 3.21Å; H677-C681 PolarHBondContact O-N 2.73Å; H677-C681 PolarHBondContact O-SG 3.06Å; H677-C681 VanDerWaalsContact O-SG 3.4Å; F678-C681 PolarHBondContact O-N 3.44Å; C681-Q683 PolarHBondContact O-N 2.93Å; C681-H684 PolarHBondContact O-N 3.41Å; C681-L685 WeakPolarHBondContact O-CB 3.48Å; C681-L685 VanDerWaalsContact O-CG 3.28Å; C681-L685 WeakPolarHBondContact O-CG 3.32Å; C681-L685 PolarHBondContact O-N 3.34Å; C681-T937 HydrophobicContact CB-CG2 4.14Å; C681-T937 PolarHBondContact SG-O 2.61Å; C681-L938 HydrophobicContact CB-CD2 4.11Å |
| 682 | A | 94.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F678 K680 I686 Y762 L763 Q766 | F678-A682 WeakPolarHBondContact O-CB 3.35Å; F678-A682 PolarHBondContact O-N 3.33Å; K680-A682 PolarHBondContact O-N 2.97Å; A682-I686 VanDerWaalsContact O-CG1 3.24Å; A682-I686 WeakPolarHBondContact O-CG1 3.43Å; A682-I686 PolarHBondContact O-N 2.92Å; A682-Y762 HydrophobicContact CB-CD1 4.12Å; A682-Y762 HydrophobicContact CB-CE1 3.56Å; A682-L763 HydrophobicContact CB-CD1 4.01Å; A682-Q766 HydrophobicContact CB-CB 4.03Å; A682-Q766 HydrophobicContact CB-CG 3.75Å |
| 683 | Q | 93.1 | Very high | 88.4 | Confident | 98 Ų | 98 | 55.2 Ų | 55.2 | 46% | 0.458 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.8 | -43.2 | 175.2 | -70.7 | 173 | -16.2 | 0 | 0 | 112.3 | Y679 K680 C681 T687 | Y679-Q683 WeakPolarHBondContact O-CG 3.3Å; Y679-Q683 PolarHBondContact O-N 3.37Å; Y679-Q683 VanDerWaalsContact O-N 3.11Å; K680-Q683 PolarHBondContact O-N 2.88Å; C681-Q683 PolarHBondContact O-N 2.93Å; Q683-T687 WeakPolarHBondContact O-CB 3.31Å; Q683-T687 PolarHBondContact O-N 3.49Å; Q683-T687 PolarHBondContact O-OG1 3.21Å |
| 684 | H | 93 | Very high | 86.8 | Confident | 101 Ų | 101 | 56.7 Ų | 56.7 | 47% | 0.468 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.6 | -50.5 | -179.4 | -178.8 | 76.8 | 0 | 0 | 0 | 112 | K680 C681 I686 T687 Q688 | K680-H684 VanDerWaalsContact O-CB 3.26Å; K680-H684 WeakPolarHBondContact O-CB 3.38Å; K680-H684 PolarHBondContact O-N 3.49Å; C681-H684 PolarHBondContact O-N 3.41Å; H684-I686 VanDerWaalsContact C-N 3.32Å; H684-I686 PolarHBondContact O-N 3.11Å; H684-T687 WeakPolarHBondContact O-CA 3.35Å; H684-T687 WeakPolarHBondContact O-CB 2.83Å; H684-T687 PolarHBondContact O-N 2.95Å; H684-Q688 WeakPolarHBondContact O-CB 3.38Å; H684-Q688 PolarHBondContact O-N 2.98Å |
| 685 | L | 92.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.6 | -44.1 | 178.5 | -72 | 170.4 | 0 | 0 | 0 | 111.5 | C681 T687 F689 I767 V933 I934 T937 | C681-L685 WeakPolarHBondContact O-CB 3.48Å; C681-L685 VanDerWaalsContact O-CG 3.28Å; C681-L685 WeakPolarHBondContact O-CG 3.32Å; C681-L685 PolarHBondContact O-N 3.34Å; L685-T687 VanDerWaalsContact C-N 3.31Å; L685-T687 PolarHBondContact O-N 3.29Å; L685-F689 WeakPolarHBondContact O-CB 3.37Å; L685-F689 PolarHBondContact O-N 3.26Å; L685-I767 HydrophobicContact CD1-CD1 4.22Å; L685-I767 HydrophobicContact CD1-CG1 3.84Å; L685-V933 HydrophobicContact CD2-CG1 3.88Å; L685-I934 HydrophobicContact CD1-CG1 4.39Å; L685-I934 HydrophobicContact CD1-CG2 4.48Å; L685-I934 HydrophobicContact CD2-CG1 4.28Å; L685-T937 HydrophobicContact CD1-CG2 4.38Å; L685-T937 HydrophobicContact CD2-CG2 3.96Å; L685-T937 HydrophobicContact CG-CG2 3.92Å |
| 686 | I | 90.4 | Very high | 83.2 | Confident | 11 Ų | 11 | 67.2 Ų | 67.2 | 6% | 0.056 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.9 | -35.3 | 175.5 | -69.5 | -65.5 | 0 | 0 | 0 | 112.3 | A682 H684 K690 N705 Q766 F769 | A682-I686 VanDerWaalsContact O-CG1 3.24Å; A682-I686 WeakPolarHBondContact O-CG1 3.43Å; A682-I686 PolarHBondContact O-N 2.92Å; H684-I686 VanDerWaalsContact C-N 3.32Å; H684-I686 PolarHBondContact O-N 3.11Å; I686-K690 HydrophobicContact CG2-CD 4.21Å; I686-K690 WeakPolarHBondContact O-CB 3.49Å; I686-K690 WeakPolarHBondContact O-CD 3.36Å; I686-K690 VanDerWaalsContact O-CG 3.24Å; I686-K690 WeakPolarHBondContact O-CG 3.34Å; I686-K690 PolarHBondContact O-N 3.31Å; I686-K690 VanDerWaalsContact O-N 3.15Å; I686-N705 WeakPolarHBondContact CD1-ND2 3.38Å; I686-Q766 HydrophobicContact CD1-CB 4.13Å; I686-Q766 HydrophobicContact CG1-CB 3.88Å; I686-Q766 HydrophobicContact CG1-CG 4.07Å; I686-F769 HydrophobicContact CD1-CD1 3.46Å; I686-F769 VanDerWaalsContact CD1-CD1 3.46Å; I686-F769 HydrophobicContact CD1-CE1 4.03Å; I686-F769 HydrophobicContact CD1-CG 4.28Å |
| 687 | T | 89 | Confident | 81.4 | Confident | 71 Ų | 71 | 62.3 Ų | 62.3 | 44% | 0.436 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72.6 | -49.8 | 179.8 | -58 | 0 | 0 | 0 | 0 | 110.8 | Q683 H684 L685 F689 K690 Q691 | Q683-T687 WeakPolarHBondContact O-CB 3.31Å; Q683-T687 PolarHBondContact O-N 3.49Å; Q683-T687 PolarHBondContact O-OG1 3.21Å; H684-T687 WeakPolarHBondContact O-CA 3.35Å; H684-T687 WeakPolarHBondContact O-CB 2.83Å; H684-T687 PolarHBondContact O-N 2.95Å; L685-T687 VanDerWaalsContact C-N 3.31Å; L685-T687 PolarHBondContact O-N 3.29Å; T687-F689 VanDerWaalsContact C-N 3.33Å; T687-F689 PolarHBondContact O-N 3.5Å; T687-K690 PolarHBondContact O-N 3.29Å; T687-Q691 WeakPolarHBondContact O-CG 3.26Å; T687-Q691 PolarHBondContact O-N 3.22Å |
| 688 | Q | 87.3 | Confident | 79.2 | Confident | 54 Ų | 54 | 69.9 Ų | 69.9 | 25% | 0.252 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.9 | -46.4 | 173.9 | -173.5 | -173.2 | 17.2 | 0 | 0 | 111 | H684 K690 Q691 S692 V933 | H684-Q688 WeakPolarHBondContact O-CB 3.38Å; H684-Q688 PolarHBondContact O-N 2.98Å; Q688-K690 PolarHBondContact O-N 3.04Å; Q688-Q691 WeakPolarHBondContact O-CB 3.5Å; Q688-Q691 PolarHBondContact O-N 3.38Å; Q688-S692 PolarHBondContact O-N 2.9Å; Q688-S692 PolarHBondContact O-OG 3.28Å; Q688-S692 VanDerWaalsContact O-OG 3.12Å; Q688-V933 VanDerWaalsContact OE1-CG1 3.25Å |
| 689 | F | 85.4 | Confident | 76.7 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 1% | 0.009 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.9 | -40.8 | -179.9 | -169.6 | -123.2 | 0 | 0 | 0 | 112.6 | L685 T687 Q691 S692 S693 Y697 F769 C770 I774 Y929 | L685-F689 WeakPolarHBondContact O-CB 3.37Å; L685-F689 PolarHBondContact O-N 3.26Å; T687-F689 VanDerWaalsContact C-N 3.33Å; T687-F689 PolarHBondContact O-N 3.5Å; F689-Q691 VanDerWaalsContact C-N 3.3Å; F689-Q691 PolarHBondContact O-N 3.09Å; F689-S692 PolarHBondContact O-N 3.11Å; F689-S693 PolarHBondContact O-N 3.24Å; F689-Y697 VanDerWaalsContact CD1-OH 3.25Å; F689-Y697 WeakPolarHBondContact CD1-OH 3.31Å; F689-Y697 HydrophobicContact CE1-CE1 4.25Å; F689-Y697 AromaticContact CE1-CZ 3.73Å; F689-Y697 WeakPolarHBondContact CE1-OH 3.46Å; F689-Y697 HydrophobicContact CE2-CE2 4.27Å; F689-Y697 HydrophobicContact CZ-CE1 4.18Å; F689-Y697 HydrophobicContact CZ-CE2 4.09Å; F689-Y697 AromaticContact CZ-CZ 3.53Å; F689-Y697 WeakPolarHBondContact CZ-OH 3.42Å; F689-Y697 PolarHBondContact O-OH 3.41Å; F689-F769 HydrophobicContact CD1-CD1 4.33Å; F689-F769 HydrophobicContact CD1-CE1 4.06Å; F689-F769 HydrophobicContact CE1-CD1 4.44Å; F689-F769 HydrophobicContact CE1-CE1 4.19Å; F689-C770 HydrophobicContact CD1-CB 4.16Å; F689-C770 HydrophobicContact CD2-CB 4.3Å; F689-C770 HydrophobicContact CE1-CB 4.41Å; F689-C770 HydrophobicContact CG-CB 4.12Å; F689-C770 VanDerWaalsContact CZ-O 3.31Å; F689-C770 WeakPolarHBondContact CZ-O 2.85Å; F689-I774 HydrophobicContact CE2-CD1 4.36Å; F689-I774 HydrophobicContact CE2-CG1 4.05Å; F689-I774 HydrophobicContact CZ-CG1 4.39Å; F689-Y929 HydrophobicContact CD2-CE2 4.46Å |
| 690 | K | 82.2 | Confident | 74.4 | Confident | 113 Ų | 113 | 82.5 Ų | 82.5 | 49% | 0.491 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68 | -24.3 | 172.5 | -74.1 | 171.9 | 178.7 | 178.1 | 0 | 113.9 | I686 T687 Q688 S693 | I686-K690 HydrophobicContact CG2-CD 4.21Å; I686-K690 WeakPolarHBondContact O-CB 3.49Å; I686-K690 WeakPolarHBondContact O-CD 3.36Å; I686-K690 VanDerWaalsContact O-CG 3.24Å; I686-K690 WeakPolarHBondContact O-CG 3.34Å; I686-K690 PolarHBondContact O-N 3.31Å; I686-K690 VanDerWaalsContact O-N 3.15Å; T687-K690 PolarHBondContact O-N 3.29Å; Q688-K690 PolarHBondContact O-N 3.04Å; K690-S693 PolarHBondContact O-OG 3.1Å |
| 691 | Q | 80.2 | Confident | 72.3 | Confident | 151 Ų | 151 | 82.3 Ų | 82.3 | 71% | 0.706 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -82.9 | -38.5 | 175.5 | -72 | 167.5 | -21.6 | 0 | 0 | 111.6 | T687 Q688 F689 S693 | T687-Q691 WeakPolarHBondContact O-CG 3.26Å; T687-Q691 PolarHBondContact O-N 3.22Å; Q688-Q691 WeakPolarHBondContact O-CB 3.5Å; Q688-Q691 PolarHBondContact O-N 3.38Å; F689-Q691 VanDerWaalsContact C-N 3.3Å; F689-Q691 PolarHBondContact O-N 3.09Å; Q691-S693 PolarHBondContact O-N 3.04Å |
| 692 | S | 71.7 | Confident | 70.5 | Confident | 62 Ų | 62 | 87.2 Ų | 87.2 | 43% | 0.434 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -74.9 | 3.1 | 178.2 | -56.4 | 0 | 0 | 0 | 0 | 114.4 | Q688 F689 G694 | Q688-S692 PolarHBondContact O-N 2.9Å; Q688-S692 PolarHBondContact O-OG 3.28Å; Q688-S692 VanDerWaalsContact O-OG 3.12Å; F689-S692 PolarHBondContact O-N 3.11Å; S692-G694 PolarHBondContact O-N 3.5Å |
| 693 | S | 60.2 | Low | 69 | Low | 54 Ų | 54 | 90.2 Ų | 90.2 | 38% | 0.378 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 8.6 | -162.6 | 73.2 | 0 | 0 | 0 | 0 | 116.8 | F689 K690 Q691 Y697 | F689-S693 PolarHBondContact O-N 3.24Å; K690-S693 PolarHBondContact O-OG 3.1Å; Q691-S693 PolarHBondContact O-N 3.04Å; S693-Y697 VanDerWaalsContact CA-CE2 3.41Å; S693-Y697 WeakPolarHBondContact O-CD2 3.42Å |
| 694 | G | 54.4 | Low | 67.9 | Low | 67 Ų | 67 | 91.6 Ų | 91.6 | 69% | 0.691 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -32.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S692 | S692-G694 PolarHBondContact O-N 3.5Š|
| 695 | Y | 51.4 | Low | 67.5 | Low | 223 Ų | 223 | 87.8 Ų | 87.8 | 88% | 0.875 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | -21.3 | -164.4 | -72 | -79.1 | 0 | 0 | 0 | 116.4 | ||
| 696 | L | 55.3 | Low | 67.3 | Low | 61 Ų | 61 | 89.6 Ų | 89.6 | 32% | 0.319 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -94.2 | -10.8 | -170.5 | -71.5 | 166.9 | 0 | 0 | 0 | 115.1 | Q775 | L696-Q775 PolarHBondContact O-NE2 3Š|
| 697 | Y | 56.1 | Low | 67.4 | Low | 45 Ų | 45 | 89.2 Ų | 89.2 | 18% | 0.176 | 46% | 0.455 | C | S | . | . | trans | -100.7 | 140.5 | -160.9 | -71.5 | -109.4 | 0 | 0 | 0 | 113.9 | F689 S693 T699 V703 | F689-Y697 VanDerWaalsContact CD1-OH 3.25Å; F689-Y697 WeakPolarHBondContact CD1-OH 3.31Å; F689-Y697 HydrophobicContact CE1-CE1 4.25Å; F689-Y697 AromaticContact CE1-CZ 3.73Å; F689-Y697 WeakPolarHBondContact CE1-OH 3.46Å; F689-Y697 HydrophobicContact CE2-CE2 4.27Å; F689-Y697 HydrophobicContact CZ-CE1 4.18Å; F689-Y697 HydrophobicContact CZ-CE2 4.09Å; F689-Y697 AromaticContact CZ-CZ 3.53Å; F689-Y697 WeakPolarHBondContact CZ-OH 3.42Å; F689-Y697 PolarHBondContact O-OH 3.41Å; S693-Y697 VanDerWaalsContact CA-CE2 3.41Å; S693-Y697 WeakPolarHBondContact O-CD2 3.42Å; Y697-T699 VanDerWaalsContact C-N 3.29Å; Y697-T699 PolarHBondContact O-N 3.44Å; Y697-V703 HydrophobicContact CD1-CG2 3.79Å; Y697-V703 HydrophobicContact CE1-CB 4.25Å; Y697-V703 HydrophobicContact CE1-CG2 3.65Å | ||
| 698 | K | 47.3 | Very low | 67.6 | Low | 178 Ų | 178 | 88 Ų | 88 | 77% | 0.774 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -77.8 | -6.9 | -178.4 | -147.4 | 168.7 | -171.3 | 170.1 | 0 | 114.4 | Q775 | K698-Q775 HydrophobicContact CB-CG 4.2Å; K698-Q775 HydrophobicContact CD-CG 4.43Å; K698-Q775 HydrophobicContact CG-CG 4.48Å |
| 699 | T | 43.2 | Very low | 67.9 | Low | 82 Ų | 82 | 86.2 Ų | 86.2 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -150.1 | 155.3 | 179.2 | 71.7 | 0 | 0 | 0 | 0 | 111.9 | Y697 K701 | Y697-T699 VanDerWaalsContact C-N 3.29Å; Y697-T699 PolarHBondContact O-N 3.44Å; T699-K701 PolarHBondContact O-N 3.48Å; T699-K701 PolarHBondContact OG1-N 2.91Å |
| 700 | K | 45 | Very low | 68.2 | Low | 223 Ų | 223 | 90.8 Ų | 90.8 | 97% | 0.97 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -76.4 | 13.8 | 168.9 | -68.5 | -174.8 | 174.8 | -178.7 | 0 | 114 | ||
| 701 | K | 51 | Low | 68.6 | Low | 127 Ų | 127 | 85.5 Ų | 85.5 | 55% | 0.552 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -85 | 132.3 | -177.6 | -69.7 | 174.2 | 176.4 | 168.1 | 0 | 109.5 | T699 V703 D813 | T699-K701 PolarHBondContact O-N 3.48Å; T699-K701 PolarHBondContact OG1-N 2.91Å; K701-V703 PolarHBondContact O-N 2.94Å; K701-V703 VanDerWaalsContact O-N 3.1Å; K701-D813 IonicContact NZ-OD1 3.71Å; K701-D813 PolarHBondContact NZ-OD1 3.17Å |
| 702 | T | 57.1 | Low | 69.3 | Low | 109 Ų | 109 | 78.4 Ų | 78.4 | 67% | 0.669 | 40% | 0.4 | S | S | * | . | trans | -62.2 | 110.1 | 179.8 | 43.3 | 0 | 0 | 0 | 0 | 110.4 | H704 | T702-H704 PolarHBondContact O-CD2 3.45Å; T702-H704 PolarHBondContact O-N 3.47Å; T702-H704 PolarHBondContact OG1-NE2 3.11Å | ||
| 703 | V | 62.6 | Low | 70.3 | Confident | 62 Ų | 62 | 75.5 Ų | 75.5 | 38% | 0.376 | 38% | 0.38 | S | S | . | . | trans | -78.4 | 94.7 | 179.6 | -168.3 | 0 | 0 | 0 | 0 | 109 | Y697 K701 N705 F769 | Y697-V703 HydrophobicContact CD1-CG2 3.79Å; Y697-V703 HydrophobicContact CE1-CB 4.25Å; Y697-V703 HydrophobicContact CE1-CG2 3.65Å; K701-V703 PolarHBondContact O-N 2.94Å; K701-V703 VanDerWaalsContact O-N 3.1Å; V703-N705 PolarHBondContact O-N 3.16Å; V703-F769 HydrophobicContact CB-CZ 4.45Å; V703-F769 HydrophobicContact CG1-CE2 3.81Å; V703-F769 HydrophobicContact CG1-CZ 3.64Å | ||
| 704 | H | 71.4 | Confident | 71.9 | Confident | 128 Ų | 128 | 75.7 Ų | 75.7 | 59% | 0.593 | 37% | 0.373 | S | S | * | . | trans | -69.8 | 119.6 | 176.1 | -61.7 | -88.2 | 0 | 0 | 0 | 109.6 | T702 T706 | T702-H704 PolarHBondContact O-CD2 3.45Å; T702-H704 PolarHBondContact O-N 3.47Å; T702-H704 PolarHBondContact OG1-NE2 3.11Å; H704-T706 HydrophobicContact CB-CG2 4.04Å; H704-T706 PolarHBondContact O-N 2.99Å; H704-T706 VanDerWaalsContact O-N 3.1Å | ||
| 705 | N | 83.1 | Confident | 73.8 | Confident | 20 Ų | 20 | 72.7 Ų | 72.7 | 11% | 0.107 | 34% | 0.34 | C | S | . | . | trans | -72.2 | 100.3 | 166.4 | 179.3 | 4.1 | 0 | 0 | 0 | 108.4 | P114 I686 V703 H765 Q766 F769 | P114-N705 WeakPolarHBondContact CG-OD1 3.48Å; I686-N705 WeakPolarHBondContact CD1-ND2 3.38Å; V703-N705 PolarHBondContact O-N 3.16Å; N705-H765 PolarHBondContact OD1-NE2 3.27Å; N705-Q766 PolarHBondContact ND2-OE1 3.25Å; N705-F769 HydrophobicContact CB-CE1 4.01Å; N705-F769 HydrophobicContact CB-CE2 4.05Å; N705-F769 HydrophobicContact CB-CZ 3.72Å | ||
| 706 | T | 89.8 | Confident | 75.9 | Confident | 38 Ų | 38 | 62.1 Ų | 62.1 | 23% | 0.233 | 30% | 0.299 | C | S | . | . | trans | -121.7 | 167.5 | 174.9 | 58 | 0 | 0 | 0 | 0 | 109.4 | K111 H704 D708 H765 | K111-T706 HydrophobicContact CB-CG2 4.15Å; K111-T706 WeakPolarHBondContact O-CG2 3.33Å; H704-T706 HydrophobicContact CB-CG2 4.04Å; H704-T706 PolarHBondContact O-N 2.99Å; H704-T706 VanDerWaalsContact O-N 3.1Å; T706-D708 PolarHBondContact O-N 3.27Å; T706-D708 VanDerWaalsContact O-N 3.15Å; T706-H765 PolarHBondContact O-NE2 2.84Å | ||
| 707 | L | 92.8 | Very high | 77.8 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | trans | -64.1 | 113.1 | 176.7 | -163.6 | 63.6 | 0 | 0 | 0 | 110.9 | Q47 F48 L103 I107 P114 Y119 I712 | Q47-L707 HydrophobicContact CB-CD2 4.2Å; Q47-L707 HydrophobicContact CG-CD1 4.38Å; Q47-L707 HydrophobicContact CG-CD2 4.3Å; F48-L707 HydrophobicContact CD1-CD1 3.77Å; F48-L707 HydrophobicContact CE1-CD1 3.24Å; F48-L707 HydrophobicContact CZ-CD1 3.8Å; L103-L707 HydrophobicContact CD1-CD2 4.02Å; I107-L707 HydrophobicContact CD1-CB 4.29Å; I107-L707 HydrophobicContact CD1-CD2 3.77Å; I107-L707 HydrophobicContact CD1-CG 4.08Å; I107-L707 HydrophobicContact CG1-CB 4.22Å; I107-L707 HydrophobicContact CG1-CD2 4Å; I107-L707 HydrophobicContact CG1-CG 4.44Å; I107-L707 WeakPolarHBondContact CG2-O 3.45Å; P114-L707 HydrophobicContact CB-CB 4.44Å; P114-L707 HydrophobicContact CB-CD1 3.99Å; Y119-L707 HydrophobicContact CD2-CB 4.12Å; Y119-L707 HydrophobicContact CD2-CD2 3.78Å; Y119-L707 HydrophobicContact CE2-CB 4.09Å; Y119-L707 HydrophobicContact CE2-CD2 4.46Å; Y119-L707 HydrophobicContact CG-CD2 3.84Å; L707-I712 HydrophobicContact CD1-CD1 3.56Å; L707-I712 HydrophobicContact CD2-CD1 4.47Å; L707-I712 HydrophobicContact CG-CD1 3.73Å | ||
| 708 | D | 91.9 | Very high | 79.6 | Confident | 45 Ų | 45 | 57 Ų | 57 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | trans | -96.6 | 111.4 | 179.5 | 176.5 | 8.3 | 0 | 0 | 0 | 110.9 | T706 Y710 N711 I712 | T706-D708 PolarHBondContact O-N 3.27Å; T706-D708 VanDerWaalsContact O-N 3.15Å; D708-Y710 VanDerWaalsContact C-N 3.34Å; D708-Y710 PolarHBondContact O-N 3.23Å; D708-Y710 WeakPolarHBondContact OD1-CB 3.07Å; D708-Y710 WeakPolarHBondContact OD1-CD2 3.22Å; D708-Y710 PolarHBondContact OD1-N 2.95Å; D708-N711 HydrophobicContact CB-CB 3.93Å; D708-N711 WeakPolarHBondContact OD2-CB 3.45Å; D708-I712 VanDerWaalsContact O-CD1 3.23Å; D708-I712 WeakPolarHBondContact O-CD1 3.2Å; D708-I712 VanDerWaalsContact O-CG1 3.27Å; D708-I712 WeakPolarHBondContact O-CG1 3.29Å; D708-I712 PolarHBondContact O-N 2.88Å | ||
| 709 | I | 93.1 | Very high | 82 | Confident | 18 Ų | 18 | 48.6 Ų | 48.6 | 9% | 0.092 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.3 | -28.2 | -178.9 | -167.7 | 65.6 | 0 | 0 | 0 | 113.6 | L104 I493 I712 H713 | L104-I709 HydrophobicContact CD2-CB 4.18Å; L104-I709 HydrophobicContact CD2-CD1 3.53Å; L104-I709 HydrophobicContact CD2-CG1 3.51Å; I493-I709 HydrophobicContact CG2-CD1 3.64Å; I709-I712 PolarHBondContact O-N 3.29Å; I709-H713 VanDerWaalsContact O-CB 3.27Å; I709-H713 WeakPolarHBondContact O-CB 3.41Å; I709-H713 PolarHBondContact O-N 2.84Å |
| 710 | Y | 92 | Very high | 84.5 | Confident | 97 Ų | 97 | 44.7 Ų | 44.7 | 38% | 0.38 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.4 | -45.3 | 179.5 | -60.4 | -80.8 | 0 | 0 | 0 | 110.3 | D498 D708 I712 H713 Y714 | D498-Y710 HydrophobicContact CB-CE1 3.9Å; D498-Y710 PolarHBondContact OD2-OH 3.45Å; D708-Y710 VanDerWaalsContact C-N 3.34Å; D708-Y710 PolarHBondContact O-N 3.23Å; D708-Y710 WeakPolarHBondContact OD1-CB 3.07Å; D708-Y710 WeakPolarHBondContact OD1-CD2 3.22Å; D708-Y710 PolarHBondContact OD1-N 2.95Å; Y710-I712 VanDerWaalsContact C-N 3.34Å; Y710-I712 PolarHBondContact O-N 3.2Å; Y710-H713 WeakPolarHBondContact O-CB 3.39Å; Y710-H713 PolarHBondContact O-N 3.35Å; Y710-Y714 WeakPolarHBondContact O-CB 3.28Å; Y710-Y714 WeakPolarHBondContact O-CD2 3.5Å; Y710-Y714 VanDerWaalsContact O-CG 3.24Å; Y710-Y714 PolarHBondContact O-N 2.67Å |
| 711 | N | 91.7 | Very high | 86.8 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.011 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.4 | -48.1 | 170.8 | -177 | 2.3 | 0 | 0 | 0 | 112 | D708 Y714 Y715 F764 H765 Y768 | D708-N711 HydrophobicContact CB-CB 3.93Å; D708-N711 WeakPolarHBondContact OD2-CB 3.45Å; N711-Y714 PolarHBondContact O-N 2.68Å; N711-Y715 PolarHBondContact O-N 3.33Å; N711-F764 WeakPolarHBondContact OD1-CD1 3.37Å; N711-F764 WeakPolarHBondContact OD1-CE1 3.39Å; N711-H765 WeakPolarHBondContact ND2-CA 3.43Å; N711-H765 PolarHBondContact ND2-CD2 3.3Å; N711-H765 VanDerWaalsContact ND2-CD2 3.34Å; N711-H765 PolarHBondContact ND2-O 2.79Å; N711-Y768 HydrophobicContact CB-CD1 3.82Å; N711-Y768 HydrophobicContact CB-CE1 3.89Å; N711-Y768 WeakPolarHBondContact ND2-CD1 3.47Å |
| 712 | I | 94.3 | Very high | 88.9 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.4 | -38.8 | 178.3 | -64 | 157.9 | 0 | 0 | 0 | 112.1 | Q47 F48 N49 I493 L707 D708 I709 Y710 Y715 G716 | Q47-I712 WeakPolarHBondContact O-CD1 3.43Å; F48-I712 HydrophobicContact CD1-CD1 4.5Å; N49-I712 HydrophobicContact CB-CG2 4.36Å; N49-I712 WeakPolarHBondContact ND2-CG2 3.26Å; N49-I712 PolarHBondContact ND2-O 3.4Å; I493-I712 HydrophobicContact CB-CG2 4.09Å; I493-I712 HydrophobicContact CG2-CG2 3.77Å; L707-I712 HydrophobicContact CD1-CD1 3.56Å; L707-I712 HydrophobicContact CD2-CD1 4.47Å; L707-I712 HydrophobicContact CG-CD1 3.73Å; D708-I712 VanDerWaalsContact O-CD1 3.23Å; D708-I712 WeakPolarHBondContact O-CD1 3.2Å; D708-I712 VanDerWaalsContact O-CG1 3.27Å; D708-I712 WeakPolarHBondContact O-CG1 3.29Å; D708-I712 PolarHBondContact O-N 2.88Å; I709-I712 PolarHBondContact O-N 3.29Å; Y710-I712 VanDerWaalsContact C-N 3.34Å; Y710-I712 PolarHBondContact O-N 3.2Å; I712-Y715 PolarHBondContact O-N 2.84Å; I712-G716 PolarHBondContact O-N 3.37Å |
| 713 | H | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.6 | -44 | 173.2 | 175.6 | 80.6 | 0 | 0 | 0 | 111.5 | E494 S500 I502 I709 Y710 G716 Q717 | E494-H713 HydrophobicContact CB-CB 4.3Å; E494-H713 VanDerWaalsContact CB-ND1 3.27Å; E494-H713 WeakPolarHBondContact CB-ND1 3.16Å; E494-H713 IonicContact OE2-CE1 3.51Å; E494-H713 IonicContact OE2-ND1 2.71Å; S500-H713 PolarHBondContact O-CE1 2.88Å; I502-H713 WeakPolarHBondContact CG2-CE1 3.33Å; I502-H713 VanDerWaalsContact CG2-ND1 3.25Å; I502-H713 WeakPolarHBondContact CG2-ND1 3.16Å; I709-H713 VanDerWaalsContact O-CB 3.27Å; I709-H713 WeakPolarHBondContact O-CB 3.41Å; I709-H713 PolarHBondContact O-N 2.84Å; Y710-H713 WeakPolarHBondContact O-CB 3.39Å; Y710-H713 PolarHBondContact O-N 3.35Å; H713-G716 CarbonylContact O-C 3.58Å; H713-G716 WeakPolarHBondContact O-CA 3.49Å; H713-G716 PolarHBondContact O-N 3.03Å; H713-G716 VanDerWaalsContact O-N 3.13Å; H713-Q717 PolarHBondContact CD2-NE2 3.05Å; H713-Q717 VanDerWaalsContact CD2-NE2 3.31Å; H713-Q717 PolarHBondContact NE2-NE2 3.14Å; H713-Q717 WeakPolarHBondContact O-CG 3.39Å; H713-Q717 PolarHBondContact O-N 3.06Å |
| 714 | Y | 92.5 | Very high | 92.3 | Very high | 59 Ų | 59 | 20.7 Ų | 20.7 | 23% | 0.231 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.8 | -36.1 | 177.1 | -67.1 | -42.8 | 0 | 0 | 0 | 113.1 | I644 Y710 N711 G716 Q717 L718 | I644-Y714 HydrophobicContact CD1-CD1 4.19Å; I644-Y714 HydrophobicContact CD1-CD2 3.52Å; I644-Y714 HydrophobicContact CD1-CE2 4.04Å; I644-Y714 HydrophobicContact CD1-CG 3.61Å; I644-Y714 HydrophobicContact CG1-CD2 4.49Å; Y710-Y714 WeakPolarHBondContact O-CB 3.28Å; Y710-Y714 WeakPolarHBondContact O-CD2 3.5Å; Y710-Y714 VanDerWaalsContact O-CG 3.24Å; Y710-Y714 PolarHBondContact O-N 2.67Å; N711-Y714 PolarHBondContact O-N 2.68Å; Y714-G716 VanDerWaalsContact C-N 3.33Å; Y714-Q717 PolarHBondContact O-N 3.35Å; Y714-L718 PolarHBondContact O-N 3.28Å |
| 715 | Y | 95.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 14.6 Ų | 14.6 | 2% | 0.016 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.9 | -40.2 | 169.1 | -171.8 | -123.3 | 0 | 0 | 0 | 110.9 | F48 N49 N711 I712 L718 Q719 F758 G761 F764 | F48-Y715 VanDerWaalsContact O-CD1 3.24Å; F48-Y715 WeakPolarHBondContact O-CD1 3.24Å; F48-Y715 WeakPolarHBondContact O-CE1 3.43Å; N49-Y715 HydrophobicContact CB-CD1 4.14Å; N711-Y715 PolarHBondContact O-N 3.33Å; I712-Y715 PolarHBondContact O-N 2.84Å; Y715-L718 PolarHBondContact O-N 2.81Å; Y715-Q719 VanDerWaalsContact CD1-NE2 3.31Å; Y715-Q719 VanDerWaalsContact O-CG 3.27Å; Y715-Q719 WeakPolarHBondContact O-CG 3.32Å; Y715-Q719 PolarHBondContact O-N 3.25Å; Y715-F758 HydrophobicContact CD2-CD1 4.4Å; Y715-F758 AromaticContact CE2-CD1 3.68Å; Y715-F758 HydrophobicContact CE2-CD1 3.68Å; Y715-F758 HydrophobicContact CE2-CE1 4.41Å; Y715-G761 PolarHBondContact OH-N 3.49Å; Y715-F764 HydrophobicContact CD2-CB 3.91Å; Y715-F764 AromaticContact CD2-CD1 3.67Å; Y715-F764 HydrophobicContact CD2-CD1 3.67Å; Y715-F764 AromaticContact CD2-CD2 3.43Å; Y715-F764 HydrophobicContact CD2-CD2 3.43Å; Y715-F764 VanDerWaalsContact CD2-CD2 3.43Å; Y715-F764 HydrophobicContact CD2-CE1 4.02Å; Y715-F764 AromaticContact CD2-CE2 3.8Å; Y715-F764 HydrophobicContact CD2-CE2 3.8Å; Y715-F764 AromaticContact CD2-CG 3.37Å; Y715-F764 HydrophobicContact CD2-CG 3.37Å; Y715-F764 HydrophobicContact CD2-CZ 4.08Å; Y715-F764 HydrophobicContact CE2-CB 3.78Å; Y715-F764 HydrophobicContact CE2-CD1 4.4Å; Y715-F764 AromaticContact CE2-CD2 3.61Å; Y715-F764 HydrophobicContact CE2-CD2 3.61Å; Y715-F764 HydrophobicContact CE2-CE2 4.31Å; Y715-F764 AromaticContact CE2-CG 3.67Å; Y715-F764 HydrophobicContact CE2-CG 3.67Å; Y715-F764 HydrophobicContact CG-CB 4.46Å; Y715-F764 AromaticContact CG-CD1 3.95Å; Y715-F764 HydrophobicContact CG-CD1 3.95Å; Y715-F764 HydrophobicContact CG-CD2 4.48Å; Y715-F764 HydrophobicContact CG-CE1 4.33Å; Y715-F764 HydrophobicContact CG-CG 4.05Å |
| 716 | G | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I712 H713 Y714 L718 Q719 I720 | I712-G716 PolarHBondContact O-N 3.37Å; H713-G716 CarbonylContact O-C 3.58Å; H713-G716 WeakPolarHBondContact O-CA 3.49Å; H713-G716 PolarHBondContact O-N 3.03Å; H713-G716 VanDerWaalsContact O-N 3.13Å; Y714-G716 VanDerWaalsContact C-N 3.33Å; G716-L718 PolarHBondContact O-N 3.05Å; G716-Q719 WeakPolarHBondContact O-CB 3.29Å; G716-Q719 PolarHBondContact O-N 3.35Å; G716-Q719 VanDerWaalsContact O-N 3.15Å; G716-I720 WeakPolarHBondContact O-CG1 3.45Å; G716-I720 PolarHBondContact O-N 3.12Å |
| 717 | Q | 94 | Very high | 94.2 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.4 | -48.1 | 175.6 | -69.9 | 177.1 | -1.5 | 0 | 0 | 111.9 | I502 Y505 T618 R622 H713 Y714 Q719 I720 I721 | I502-Q717 HydrophobicContact CG2-CG 4.21Å; Y505-Q717 HydrophobicContact CD2-CG 4.08Å; Y505-Q717 HydrophobicContact CE2-CG 4.29Å; T618-Q717 HydrophobicContact CG2-CB 4.19Å; R622-Q717 VanDerWaalsContact CZ-OE1 3.27Å; H713-Q717 PolarHBondContact CD2-NE2 3.05Å; H713-Q717 VanDerWaalsContact CD2-NE2 3.31Å; H713-Q717 PolarHBondContact NE2-NE2 3.14Å; H713-Q717 WeakPolarHBondContact O-CG 3.39Å; H713-Q717 PolarHBondContact O-N 3.06Å; Y714-Q717 PolarHBondContact O-N 3.35Å; Q717-Q719 PolarHBondContact O-N 2.9Å; Q717-I720 PolarHBondContact O-N 3.15Å; Q717-I721 WeakPolarHBondContact O-CB 2.98Å; Q717-I721 WeakPolarHBondContact O-CG1 3.08Å; Q717-I721 PolarHBondContact O-N 2.9Å |
| 718 | L | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -56.3 | -39.3 | 175.9 | -70.5 | 164.8 | 0 | 0 | 0 | 111.3 | I614 T618 I644 F648 Y714 Y715 G716 Y722 F758 F764 | I614-L718 HydrophobicContact CG2-CD2 3.95Å; T618-L718 HydrophobicContact CG2-CD2 3.9Å; T618-L718 HydrophobicContact CG2-CG 4.17Å; I644-L718 HydrophobicContact CG2-CD1 4.07Å; F648-L718 HydrophobicContact CB-CD1 4.22Å; F648-L718 HydrophobicContact CD1-CD2 4.06Å; F648-L718 HydrophobicContact CD2-CD1 4.06Å; F648-L718 HydrophobicContact CE1-CD2 4.16Å; F648-L718 HydrophobicContact CG-CD1 4.06Å; F648-L718 HydrophobicContact CG-CD2 4.33Å; Y714-L718 PolarHBondContact O-N 3.28Å; Y715-L718 PolarHBondContact O-N 2.81Å; G716-L718 PolarHBondContact O-N 3.05Å; L718-Y722 WeakPolarHBondContact O-CB 3.44Å; L718-Y722 PolarHBondContact O-N 3.16Å; L718-F758 HydrophobicContact CB-CE1 3.9Å; L718-F758 HydrophobicContact CB-CZ 4.31Å; L718-F764 HydrophobicContact CD1-CE2 3.98Å; L718-F764 HydrophobicContact CD1-CZ 3.95Å |
| 719 | Q | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -69.4 | -46.8 | 179 | -67.3 | 170.5 | -5.7 | 0 | 0 | 112.8 | N49 P126 L127 Y715 G716 Q717 I721 Y722 M723 F758 | N49-Q719 PolarHBondContact O-NE2 2.95Å; N49-Q719 PolarHBondContact O-OE1 2.92Å; P126-Q719 HydrophobicContact CG-CB 3.99Å; L127-Q719 HydrophobicContact CD1-CB 4.19Å; L127-Q719 HydrophobicContact CD1-CG 3.83Å; L127-Q719 HydrophobicContact CD2-CB 3.91Å; L127-Q719 HydrophobicContact CD2-CG 4.43Å; L127-Q719 HydrophobicContact CG-CB 3.93Å; L127-Q719 HydrophobicContact CG-CG 3.93Å; Y715-Q719 VanDerWaalsContact CD1-NE2 3.31Å; Y715-Q719 VanDerWaalsContact O-CG 3.27Å; Y715-Q719 WeakPolarHBondContact O-CG 3.32Å; Y715-Q719 PolarHBondContact O-N 3.25Å; G716-Q719 WeakPolarHBondContact O-CB 3.29Å; G716-Q719 PolarHBondContact O-N 3.35Å; G716-Q719 VanDerWaalsContact O-N 3.15Å; Q717-Q719 PolarHBondContact O-N 2.9Å; Q719-I721 VanDerWaalsContact C-N 3.34Å; Q719-I721 PolarHBondContact O-N 3.4Å; Q719-Y722 WeakPolarHBondContact O-CB 3.45Å; Q719-Y722 PolarHBondContact O-N 3.22Å; Q719-M723 WeakPolarHBondContact O-CG 3.4Å; Q719-M723 PolarHBondContact O-N 3.22Å; Q719-F758 HydrophobicContact CG-CD1 3.79Å; Q719-F758 HydrophobicContact CG-CE1 3.71Å; Q719-F758 HydrophobicContact CG-CG 4.39Å; Q719-F758 HydrophobicContact CG-CZ 4.26Å |
| 720 | I | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -66.4 | -40 | 178.6 | -48.2 | -47.4 | 0 | 0 | 0 | 110.3 | P126 I502 Y503 P506 G716 Q717 Y722 M723 T724 | P126-I720 HydrophobicContact CB-CD1 3.73Å; P126-I720 HydrophobicContact CG-CD1 4.07Å; I502-I720 HydrophobicContact CB-CG1 4Å; I502-I720 HydrophobicContact CD1-CD1 3.84Å; I502-I720 HydrophobicContact CD1-CG1 3.74Å; I502-I720 HydrophobicContact CG1-CD1 4.36Å; I502-I720 HydrophobicContact CG1-CG1 3.81Å; Y503-I720 HydrophobicContact CD1-CD1 4.49Å; Y503-I720 HydrophobicContact CD1-CG1 4.35Å; Y503-I720 HydrophobicContact CD1-CG2 3.52Å; Y503-I720 HydrophobicContact CE1-CD1 3.83Å; Y503-I720 HydrophobicContact CE1-CG1 4.18Å; Y503-I720 HydrophobicContact CE1-CG2 3.77Å; Y503-I720 HydrophobicContact CE2-CD1 4.37Å; Y503-I720 HydrophobicContact CG-CG2 4.27Å; P506-I720 HydrophobicContact CG-CB 4.18Å; P506-I720 HydrophobicContact CG-CG2 3.6Å; G716-I720 WeakPolarHBondContact O-CG1 3.45Å; G716-I720 PolarHBondContact O-N 3.12Å; Q717-I720 PolarHBondContact O-N 3.15Å; I720-Y722 VanDerWaalsContact C-N 3.34Å; I720-Y722 PolarHBondContact O-N 3.24Å; I720-M723 HydrophobicContact CD1-CE 3.59Å; I720-M723 PolarHBondContact O-N 3.09Å; I720-T724 PolarHBondContact O-N 2.88Å; I720-T724 PolarHBondContact O-OG1 3.29Å |
| 721 | I | 94.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 6.7 Ų | 6.7 | 1% | 0.01 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -62.3 | -41 | 175.9 | -72.4 | 166 | 0 | 0 | 0 | 111 | P506 L509 I614 L617 T618 Q717 Q719 L725 | P506-I721 HydrophobicContact CB-CG1 3.96Å; P506-I721 HydrophobicContact CG-CG1 4.18Å; L509-I721 HydrophobicContact CD1-CG2 4.37Å; I614-I721 HydrophobicContact CG2-CG2 4.17Å; L617-I721 HydrophobicContact CB-CG2 3.97Å; L617-I721 HydrophobicContact CD1-CG2 4.35Å; T618-I721 HydrophobicContact CG2-CD1 4.23Å; T618-I721 WeakPolarHBondContact OG1-CD1 3.31Å; Q717-I721 WeakPolarHBondContact O-CB 2.98Å; Q717-I721 WeakPolarHBondContact O-CG1 3.08Å; Q717-I721 PolarHBondContact O-N 2.9Å; Q719-I721 VanDerWaalsContact C-N 3.34Å; Q719-I721 PolarHBondContact O-N 3.4Å; I721-L725 WeakPolarHBondContact O-CB 3.25Å; I721-L725 PolarHBondContact O-N 2.96Å |
| 722 | Y | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -57.5 | -49.3 | 170 | 170.8 | -92.7 | 0 | 0 | 0 | 112.3 | L127 I614 L718 Q719 I720 T724 L725 L726 F751 I754 M757 F758 | L127-Y722 HydrophobicContact CD1-CD1 4.25Å; L127-Y722 HydrophobicContact CD2-CD1 3.93Å; I614-Y722 HydrophobicContact CD1-CD2 3.73Å; I614-Y722 HydrophobicContact CD1-CG 4.44Å; L718-Y722 WeakPolarHBondContact O-CB 3.44Å; L718-Y722 PolarHBondContact O-N 3.16Å; Q719-Y722 WeakPolarHBondContact O-CB 3.45Å; Q719-Y722 PolarHBondContact O-N 3.22Å; I720-Y722 VanDerWaalsContact C-N 3.34Å; I720-Y722 PolarHBondContact O-N 3.24Å; Y722-T724 PolarHBondContact O-N 3.38Å; Y722-L725 PolarHBondContact O-N 2.56Å; Y722-L726 HydrophobicContact CE1-CD2 3.96Å; Y722-L726 WeakPolarHBondContact O-CB 3.18Å; Y722-L726 PolarHBondContact O-N 3.36Å; Y722-F751 HydrophobicContact CD2-CD1 4.02Å; Y722-F751 HydrophobicContact CD2-CE1 4.37Å; Y722-F751 HydrophobicContact CE2-CB 4.29Å; Y722-F751 AromaticContact CE2-CD1 3.71Å; Y722-F751 HydrophobicContact CE2-CD1 3.71Å; Y722-F751 HydrophobicContact CE2-CE1 4.44Å; Y722-F751 HydrophobicContact CE2-CG 4.25Å; Y722-I754 HydrophobicContact CE1-CD1 3.97Å; Y722-I754 HydrophobicContact CE1-CG1 3.64Å; Y722-I754 WeakPolarHBondContact OH-CG1 3.36Å; Y722-M757 HydrophobicContact CD2-CE 3.64Å; Y722-M757 HydrophobicContact CD2-SD 4.08Å; Y722-M757 HydrophobicContact CE2-CE 3.81Å; Y722-M757 HydrophobicContact CE2-SD 3.59Å; Y722-M757 VanDerWaalsContact CE2-SD 3.59Å; Y722-F758 HydrophobicContact CD1-CE2 4.21Å; Y722-F758 AromaticContact CD2-CE2 4Å; Y722-F758 HydrophobicContact CD2-CE2 4Å; Y722-F758 AromaticContact CG-CE2 3.78Å; Y722-F758 HydrophobicContact CG-CE2 3.78Å; Y722-F758 HydrophobicContact CG-CZ 4.38Å |
| 723 | M | 95.2 | Very high | 94.1 | Very high | 16 Ų | 16 | 7.9 Ų | 7.9 | 8% | 0.079 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63.2 | -43.4 | -179.1 | -67.9 | -162 | -59.5 | 0 | 0 | 113.2 | P126 L127 I130 L475 Q719 I720 T727 | P126-M723 HydrophobicContact CB-CE 3.79Å; P126-M723 HydrophobicContact CB-SD 4.38Å; L127-M723 HydrophobicContact CD2-CG 3.27Å; L127-M723 HydrophobicContact CD2-SD 3.7Å; I130-M723 HydrophobicContact CD1-CB 4.38Å; I130-M723 HydrophobicContact CD1-CG 3.68Å; I130-M723 HydrophobicContact CD1-SD 3.89Å; L475-M723 HydrophobicContact CD1-CB 3.88Å; L475-M723 HydrophobicContact CD1-CG 4.4Å; L475-M723 HydrophobicContact CD1-SD 4.29Å; Q719-M723 WeakPolarHBondContact O-CG 3.4Å; Q719-M723 PolarHBondContact O-N 3.22Å; I720-M723 HydrophobicContact CD1-CE 3.59Å; I720-M723 PolarHBondContact O-N 3.09Å; M723-T727 PolarHBondContact O-N 2.93Å; M723-T727 PolarHBondContact O-OG1 3.29Å |
| 724 | T | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -69 | -44.4 | 179.8 | -46.7 | 0 | 0 | 0 | 0 | 110.8 | Y478 P506 L509 R510 I513 I720 Y722 T727 L728 | Y478-T724 HydrophobicContact CE2-CG2 4.33Å; Y478-T724 PolarHBondContact OH-N 3.41Å; Y478-T724 PolarHBondContact OH-OG1 3.31Å; P506-T724 HydrophobicContact CB-CG2 4.44Å; L509-T724 HydrophobicContact CB-CG2 3.48Å; L509-T724 VanDerWaalsContact CB-CG2 3.48Å; R510-T724 HydrophobicContact CB-CG2 4.43Å; R510-T724 HydrophobicContact CG-CG2 3.57Å; I513-T724 HydrophobicContact CD1-CG2 3.69Å; I720-T724 PolarHBondContact O-N 2.88Å; I720-T724 PolarHBondContact O-OG1 3.29Å; Y722-T724 PolarHBondContact O-N 3.38Å; T724-T727 PolarHBondContact O-N 3.01Å; T724-L728 WeakPolarHBondContact O-CB 3.42Å; T724-L728 PolarHBondContact O-N 3.16Å |
| 725 | L | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.3 | -44.3 | 177 | -173.2 | 67.4 | 0 | 0 | 0 | 111.6 | L591 L613 I614 L617 I721 Y722 T727 L728 I729 L749 F751 | L591-L725 HydrophobicContact CD1-CD1 4.28Å; L613-L725 HydrophobicContact CD2-CD1 4.34Å; L613-L725 HydrophobicContact CD2-CD2 3.88Å; L613-L725 HydrophobicContact CG-CD2 4Å; I614-L725 HydrophobicContact CG1-CD2 4.04Å; L617-L725 HydrophobicContact CD1-CD1 4.33Å; L617-L725 HydrophobicContact CD1-CD2 4.22Å; I721-L725 WeakPolarHBondContact O-CB 3.25Å; I721-L725 PolarHBondContact O-N 2.96Å; Y722-L725 PolarHBondContact O-N 2.56Å; L725-T727 VanDerWaalsContact C-N 3.32Å; L725-T727 PolarHBondContact O-N 3.1Å; L725-L728 PolarHBondContact O-N 3.01Å; L725-I729 HydrophobicContact CG-CG1 4.46Å; L725-I729 VanDerWaalsContact O-CG1 3.28Å; L725-I729 WeakPolarHBondContact O-CG1 3.47Å; L725-I729 PolarHBondContact O-N 2.93Å; L725-L749 HydrophobicContact CD2-CD2 4.23Å; L725-F751 HydrophobicContact CD2-CE1 4.12Å; L725-F751 HydrophobicContact CD2-CZ 3.98Å; L725-F751 HydrophobicContact CG-CZ 4.02Å |
| 726 | L | 94.6 | Very high | 92.9 | Very high | 23 Ų | 23 | 8.2 Ų | 8.2 | 12% | 0.12 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -57.8 | -44.5 | 176.2 | 179.8 | 64.6 | 0 | 0 | 0 | 111.4 | I130 Y722 I729 Q730 F751 | I130-L726 HydrophobicContact CD1-CD2 4.45Å; I130-L726 HydrophobicContact CG2-CD2 4.23Å; Y722-L726 HydrophobicContact CE1-CD2 3.96Å; Y722-L726 WeakPolarHBondContact O-CB 3.18Å; Y722-L726 PolarHBondContact O-N 3.36Å; L726-I729 PolarHBondContact O-N 2.95Å; L726-Q730 HydrophobicContact CD1-CG 4.35Å; L726-Q730 WeakPolarHBondContact O-CB 3.25Å; L726-Q730 VanDerWaalsContact O-CG 3.28Å; L726-Q730 WeakPolarHBondContact O-CG 3.25Å; L726-Q730 PolarHBondContact O-N 2.97Å; L726-F751 HydrophobicContact CD1-CD2 3.66Å; L726-F751 HydrophobicContact CD1-CE2 3.98Å; L726-F751 HydrophobicContact CD1-CG 4.16Å |
| 727 | T | 95.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.006 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.2 | -39.1 | 178 | -52.9 | 0 | 0 | 0 | 0 | 112.1 | I474 L475 Y478 I513 M723 T724 L725 Q730 L731 | I474-T727 HydrophobicContact CD1-CG2 4.35Å; I474-T727 HydrophobicContact CG2-CG2 4.11Å; L475-T727 WeakPolarHBondContact CD1-OG1 3.4Å; L475-T727 WeakPolarHBondContact CG-OG1 3.16Å; Y478-T727 HydrophobicContact CD2-CG2 3.81Å; Y478-T727 HydrophobicContact CE2-CG2 4.38Å; I513-T727 HydrophobicContact CD1-CG2 4.13Å; M723-T727 PolarHBondContact O-N 2.93Å; M723-T727 PolarHBondContact O-OG1 3.29Å; T724-T727 PolarHBondContact O-N 3.01Å; L725-T727 VanDerWaalsContact C-N 3.32Å; L725-T727 PolarHBondContact O-N 3.1Å; T727-Q730 PolarHBondContact O-N 3.13Å; T727-L731 WeakPolarHBondContact O-CB 3.26Å; T727-L731 PolarHBondContact O-N 3.48Å |
| 728 | L | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.9 | -44 | 175.5 | 178.8 | 60.2 | 0 | 0 | 0 | 111.7 | L512 I513 L516 F586 L587 T724 L725 L731 L732 | L512-L728 HydrophobicContact CB-CD1 4.05Å; L512-L728 HydrophobicContact CB-CD2 4.26Å; L512-L728 HydrophobicContact CD1-CD2 4.12Å; I513-L728 HydrophobicContact CD1-CB 4.21Å; I513-L728 HydrophobicContact CG1-CB 3.88Å; I513-L728 HydrophobicContact CG1-CD1 3.99Å; I513-L728 HydrophobicContact CG1-CG 4.5Å; L516-L728 HydrophobicContact CD1-CD1 3.62Å; F586-L728 HydrophobicContact CE1-CD1 4.36Å; L587-L728 HydrophobicContact CD2-CD2 4.33Å; T724-L728 WeakPolarHBondContact O-CB 3.42Å; T724-L728 PolarHBondContact O-N 3.16Å; L725-L728 PolarHBondContact O-N 3.01Å; L728-L731 PolarHBondContact O-N 3.09Å; L728-L732 HydrophobicContact CD1-CD1 4.46Å; L728-L732 HydrophobicContact CG-CD1 4.32Å; L728-L732 WeakPolarHBondContact O-CG 3.18Å; L728-L732 PolarHBondContact O-N 2.99Å |
| 729 | I | 93.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.8 | -47 | 176 | -65.5 | -65.4 | 0 | 0 | 0 | 110.8 | L587 L725 L726 L731 L732 D733 L749 F751 | L587-I729 HydrophobicContact CD1-CD1 3.48Å; L587-I729 VanDerWaalsContact CD1-CD1 3.48Å; L587-I729 HydrophobicContact CD2-CD1 4.08Å; L587-I729 HydrophobicContact CG-CD1 4.4Å; L725-I729 HydrophobicContact CG-CG1 4.46Å; L725-I729 VanDerWaalsContact O-CG1 3.28Å; L725-I729 WeakPolarHBondContact O-CG1 3.47Å; L725-I729 PolarHBondContact O-N 2.93Å; L726-I729 PolarHBondContact O-N 2.95Å; I729-L731 VanDerWaalsContact C-N 3.28Å; I729-L731 PolarHBondContact O-N 3.41Å; I729-L732 PolarHBondContact O-N 3.47Å; I729-D733 WeakPolarHBondContact CG2-OD2 3.5Å; I729-D733 WeakPolarHBondContact O-CB 3.27Å; I729-D733 VanDerWaalsContact O-CG 3.22Å; I729-D733 PolarHBondContact O-N 2.81Å; I729-L749 HydrophobicContact CD1-CB 3.73Å; I729-L749 HydrophobicContact CD1-CD2 4.1Å; I729-L749 HydrophobicContact CG1-CB 4.09Å; I729-L749 HydrophobicContact CG1-CD2 4.25Å; I729-L749 HydrophobicContact CG2-CB 4.23Å; I729-F751 HydrophobicContact CB-CE2 4.17Å; I729-F751 HydrophobicContact CG1-CE2 3.95Å; I729-F751 HydrophobicContact CG1-CZ 4.16Å; I729-F751 HydrophobicContact CG2-CE2 4.19Å |
| 730 | Q | 93.3 | Very high | 85 | Confident | 30 Ų | 30 | 30.4 Ų | 30.4 | 14% | 0.14 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.2 | -31.2 | 177.4 | -69 | -63.4 | -58 | 0 | 0 | 112.8 | L473 I474 L726 T727 S734 | L473-Q730 HydrophobicContact CB-CB 4.26Å; L473-Q730 HydrophobicContact CB-CG 4.07Å; I474-Q730 HydrophobicContact CD1-CB 3.94Å; L726-Q730 HydrophobicContact CD1-CG 4.35Å; L726-Q730 WeakPolarHBondContact O-CB 3.25Å; L726-Q730 VanDerWaalsContact O-CG 3.28Å; L726-Q730 WeakPolarHBondContact O-CG 3.25Å; L726-Q730 PolarHBondContact O-N 2.97Å; T727-Q730 PolarHBondContact O-N 3.13Å; Q730-S734 VanDerWaalsContact O-CB 3.26Å; Q730-S734 WeakPolarHBondContact O-CB 3.26Å; Q730-S734 PolarHBondContact O-N 3.3Å; Q730-S734 PolarHBondContact O-OG 2.96Å |
| 731 | L | 92.8 | Very high | 82.7 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.6 | -45.8 | 172.5 | -179.4 | 56.8 | 0 | 0 | 0 | 111.6 | L465 I474 I513 L516 I517 I520 T727 L728 I729 S734 L735 | L465-L731 HydrophobicContact CD1-CD1 3.61Å; I474-L731 HydrophobicContact CD1-CB 4.01Å; I513-L731 HydrophobicContact CB-CD2 4.5Å; I513-L731 HydrophobicContact CG2-CD2 4.13Å; L516-L731 HydrophobicContact CB-CD2 3.68Å; L516-L731 HydrophobicContact CB-CG 4.37Å; L516-L731 HydrophobicContact CD1-CD2 4.01Å; L516-L731 HydrophobicContact CD1-CG 4.34Å; I517-L731 HydrophobicContact CG1-CD2 4.08Å; I520-L731 HydrophobicContact CD1-CD1 4.04Å; T727-L731 WeakPolarHBondContact O-CB 3.26Å; T727-L731 PolarHBondContact O-N 3.48Å; L728-L731 PolarHBondContact O-N 3.09Å; I729-L731 VanDerWaalsContact C-N 3.28Å; I729-L731 PolarHBondContact O-N 3.41Å; L731-S734 PolarHBondContact O-N 2.82Å; L731-L735 HydrophobicContact CD1-CD1 4.22Å; L731-L735 HydrophobicContact CG-CD1 4.15Å; L731-L735 VanDerWaalsContact O-CG 3.32Å; L731-L735 WeakPolarHBondContact O-CG 3.48Å; L731-L735 PolarHBondContact O-N 2.85Å; L731-L735 VanDerWaalsContact O-N 3.14Å |
| 732 | L | 91.5 | Very high | 80.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 175.6 | -71 | 169.7 | 0 | 0 | 0 | 111.9 | L516 L568 R583 F586 L587 L728 I729 S734 L735 V736 | L516-L732 HydrophobicContact CD1-CD2 3.86Å; L516-L732 HydrophobicContact CD1-CG 4.29Å; L516-L732 HydrophobicContact CD2-CD2 4.48Å; L568-L732 HydrophobicContact CD1-CD2 3.78Å; L568-L732 HydrophobicContact CD2-CD2 4.05Å; R583-L732 HydrophobicContact CB-CB 4.32Å; R583-L732 HydrophobicContact CG-CB 4.16Å; F586-L732 HydrophobicContact CB-CD2 4.48Å; F586-L732 HydrophobicContact CD1-CD1 3.86Å; F586-L732 HydrophobicContact CD1-CD2 3.84Å; F586-L732 HydrophobicContact CD1-CG 4.46Å; F586-L732 HydrophobicContact CD2-CD2 4.29Å; F586-L732 HydrophobicContact CE1-CD1 4.29Å; F586-L732 HydrophobicContact CE1-CD2 4.12Å; F586-L732 HydrophobicContact CG-CD2 3.95Å; F586-L732 HydrophobicContact CZ-CD2 4.47Å; L587-L732 HydrophobicContact CD1-CD1 4.38Å; L587-L732 HydrophobicContact CD2-CD1 3.97Å; L587-L732 HydrophobicContact CG-CD1 4.03Å; L728-L732 HydrophobicContact CD1-CD1 4.46Å; L728-L732 HydrophobicContact CG-CD1 4.32Å; L728-L732 WeakPolarHBondContact O-CG 3.18Å; L728-L732 PolarHBondContact O-N 2.99Å; I729-L732 PolarHBondContact O-N 3.47Å; L732-S734 PolarHBondContact O-N 2.61Å; L732-L735 PolarHBondContact O-N 2.99Å; L732-L735 VanDerWaalsContact O-N 3.11Å; L732-V736 PolarHBondContact O-N 3.04Å |
| 733 | D | 88.7 | Confident | 78.5 | Confident | 30 Ų | 30 | 47.5 Ų | 47.5 | 16% | 0.16 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62 | -31.8 | 175.3 | -66.8 | -25 | 0 | 0 | 0 | 112 | R583 I729 L735 T747 C748 | R583-D733 VanDerWaalsContact CD-OD1 3.3Å; R583-D733 WeakPolarHBondContact CD-OD1 3.18Å; R583-D733 IonicContact CZ-OD1 3.87Å; R583-D733 IonicContact NE-OD1 3.2Å; R583-D733 IonicContact NH1-OD1 2.8Å; R583-D733 PolarHBondContact NH1-OD1 3.47Å; I729-D733 WeakPolarHBondContact CG2-OD2 3.5Å; I729-D733 WeakPolarHBondContact O-CB 3.27Å; I729-D733 VanDerWaalsContact O-CG 3.22Å; I729-D733 PolarHBondContact O-N 2.81Å; D733-L735 VanDerWaalsContact C-N 3.34Å; D733-T747 WeakPolarHBondContact OD2-CA 3.23Å; D733-T747 WeakPolarHBondContact OD2-CB 3.39Å; D733-T747 VanDerWaalsContact OD2-CG2 3.28Å; D733-T747 WeakPolarHBondContact OD2-CG2 3.42Å; D733-C748 PolarHBondContact OD1-N 3.4Å; D733-C748 VanDerWaalsContact OD1-N 3.07Å; D733-C748 PolarHBondContact OD1-SG 3.34Å |
| 734 | S | 88.4 | Confident | 76.4 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 4% | 0.035 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -77.3 | -15.8 | 176.1 | -60.3 | 0 | 0 | 0 | 0 | 114.4 | Q464 S468 Q730 L731 L732 | Q464-S734 WeakPolarHBondContact CB-O 3.24Å; S468-S734 VanDerWaalsContact CB-OG 3.28Å; S468-S734 WeakPolarHBondContact CB-OG 3.27Å; S468-S734 PolarHBondContact OG-OG 2.88Å; Q730-S734 VanDerWaalsContact O-CB 3.26Å; Q730-S734 WeakPolarHBondContact O-CB 3.26Å; Q730-S734 PolarHBondContact O-N 3.3Å; Q730-S734 PolarHBondContact O-OG 2.96Å; L731-S734 PolarHBondContact O-N 2.82Å; L732-S734 PolarHBondContact O-N 2.61Å |
| 735 | L | 85.6 | Confident | 74.3 | Confident | 33 Ų | 33 | 57.9 Ų | 57.9 | 17% | 0.173 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -92.7 | -22.7 | -176.5 | -81.5 | 166.7 | 0 | 0 | 0 | 113.7 | L516 I520 L568 L731 L732 D733 T737 | L516-L735 HydrophobicContact CD2-CD1 4.07Å; I520-L735 HydrophobicContact CD1-CD1 4.22Å; I520-L735 HydrophobicContact CD1-CD2 3.48Å; I520-L735 VanDerWaalsContact CD1-CD2 3.48Å; I520-L735 HydrophobicContact CD1-CG 4.15Å; I520-L735 HydrophobicContact CG1-CD2 3.5Å; L568-L735 HydrophobicContact CD2-CB 3.75Å; L731-L735 HydrophobicContact CD1-CD1 4.22Å; L731-L735 HydrophobicContact CG-CD1 4.15Å; L731-L735 VanDerWaalsContact O-CG 3.32Å; L731-L735 WeakPolarHBondContact O-CG 3.48Å; L731-L735 PolarHBondContact O-N 2.85Å; L731-L735 VanDerWaalsContact O-N 3.14Å; L732-L735 PolarHBondContact O-N 2.99Å; L732-L735 VanDerWaalsContact O-N 3.11Å; D733-L735 VanDerWaalsContact C-N 3.34Å; L735-T737 PolarHBondContact O-N 2.98Å |
| 736 | V | 81.1 | Confident | 72.8 | Confident | 32 Ų | 32 | 61.5 Ų | 61.5 | 19% | 0.194 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -68.7 | 128.2 | 176.5 | 179.2 | 0 | 0 | 0 | 0 | 109.9 | L568 R583 L732 | L568-V736 HydrophobicContact CD2-CG2 4.37Å; R583-V736 HydrophobicContact CG-CG2 3.65Å; L732-V736 PolarHBondContact O-N 3.04Å |
| 737 | T | 61.1 | Low | 71.9 | Confident | 90 Ų | 90 | 62.5 Ų | 62.5 | 55% | 0.552 | 33% | 0.327 | S | S | * | . | trans | -94.3 | 166.4 | -178 | 56.2 | 0 | 0 | 0 | 0 | 111.7 | L735 N739 | L735-T737 PolarHBondContact O-N 2.98Å; T737-N739 PolarHBondContact O-N 3.15Å | ||
| 738 | K | 53.2 | Low | 71.1 | Confident | 144 Ų | 144 | 62.8 Ų | 62.8 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 8 | -150.8 | -62 | 175.7 | 178.2 | 175.9 | 0 | 117.2 | D740 | K738-D740 PolarHBondContact O-N 2.99Š|
| 739 | N | 51.2 | Low | 70.7 | Confident | 150 Ų | 150 | 62.8 Ų | 62.8 | 80% | 0.802 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -27 | -159.5 | -68.4 | 5 | 0 | 0 | 0 | 114.3 | T737 | T737-N739 PolarHBondContact O-N 3.15Š|
| 740 | D | 50.4 | Low | 70.4 | Confident | 82 Ų | 82 | 65.3 Ų | 65.3 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | trans | -109.9 | 112.1 | 171.4 | -80.7 | -54.5 | 0 | 0 | 0 | 111.4 | K738 N742 Q743 | K738-D740 PolarHBondContact O-N 2.99Å; D740-N742 PolarHBondContact O-N 3.48Å; D740-Q743 HydrophobicContact CB-CB 3.98Å; D740-Q743 HydrophobicContact CB-CG 3.61Å; D740-Q743 PolarHBondContact O-N 3.12Å; D740-Q743 PolarHBondContact OD2-NE2 3.5Å | ||
| 741 | E | 47.9 | Very low | 70.2 | Confident | 145 Ų | 145 | 65.8 Ų | 65.8 | 68% | 0.678 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -60 | -34.2 | 172.6 | -65.2 | -111.9 | 98.6 | 0 | 0 | 111.5 | Q743 K744 | E741-Q743 VanDerWaalsContact C-N 3.32Å; E741-Q743 PolarHBondContact O-N 2.87Å; E741-K744 PolarHBondContact O-N 3.03Å; E741-K744 IonicContact OE1-NZ 2.66Å; E741-K744 PolarHBondContact OE1-NZ 2.95Å |
| 742 | N | 49 | Very low | 70.2 | Confident | 142 Ų | 142 | 66.4 Ų | 66.4 | 76% | 0.759 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -67.3 | -26.9 | 179.3 | -66.1 | -22.2 | 0 | 0 | 0 | 113.5 | D740 | D740-N742 PolarHBondContact O-N 3.48Š|
| 743 | Q | 51.9 | Low | 70.2 | Confident | 73 Ų | 73 | 67.8 Ų | 67.8 | 34% | 0.341 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -81.5 | -21.9 | 179.9 | -66.4 | -175.8 | 24.2 | 0 | 0 | 112.6 | D740 E741 S745 M746 | D740-Q743 HydrophobicContact CB-CB 3.98Å; D740-Q743 HydrophobicContact CB-CG 3.61Å; D740-Q743 PolarHBondContact O-N 3.12Å; D740-Q743 PolarHBondContact OD2-NE2 3.5Å; E741-Q743 VanDerWaalsContact C-N 3.32Å; E741-Q743 PolarHBondContact O-N 2.87Å; Q743-S745 PolarHBondContact O-N 2.98Å; Q743-S745 VanDerWaalsContact O-N 3.14Å; Q743-M746 PolarHBondContact O-N 2.79Å |
| 744 | K | 50.4 | Low | 70.4 | Confident | 122 Ų | 122 | 66.4 Ų | 66.4 | 53% | 0.53 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25 | -174.9 | -71.6 | 177.7 | -176.8 | 170 | 0 | 114.8 | E741 | E741-K744 PolarHBondContact O-N 3.03Å; E741-K744 IonicContact OE1-NZ 2.66Å; E741-K744 PolarHBondContact OE1-NZ 2.95Å |
| 745 | S | 52.3 | Low | 70.6 | Confident | 112 Ų | 112 | 66.6 Ų | 66.6 | 78% | 0.783 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -11.7 | -172.5 | 52.9 | 0 | 0 | 0 | 0 | 114.6 | Q743 | Q743-S745 PolarHBondContact O-N 2.98Å; Q743-S745 VanDerWaalsContact O-N 3.14Å |
| 746 | M | 62.9 | Low | 70.9 | Confident | 76 Ų | 76 | 66.1 Ų | 66.1 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | trans | -125.8 | 119.8 | -171.9 | -165.7 | 158.9 | 70.7 | 0 | 0 | 112.2 | R583 E601 Q743 | R583-M746 PolarHBondContact NH1-O 3.19Å; R583-M746 PolarHBondContact NH2-O 3.37Å; R583-M746 VanDerWaalsContact NH2-O 3.11Å; E601-M746 HydrophobicContact CG-CE 4.48Å; Q743-M746 PolarHBondContact O-N 2.79Å | ||
| 747 | T | 75.2 | Confident | 71.5 | Confident | 44 Ų | 44 | 64.7 Ų | 64.7 | 27% | 0.27 | 34% | 0.337 | S | S | . | . | trans | -63.4 | 142.8 | 164.7 | 59.9 | 0 | 0 | 0 | 0 | 108.8 | D733 L749 N750 | D733-T747 WeakPolarHBondContact OD2-CA 3.23Å; D733-T747 WeakPolarHBondContact OD2-CB 3.39Å; D733-T747 VanDerWaalsContact OD2-CG2 3.28Å; D733-T747 WeakPolarHBondContact OD2-CG2 3.42Å; T747-L749 PolarHBondContact O-N 2.73Å; T747-L749 VanDerWaalsContact O-N 3.13Å; T747-L749 PolarHBondContact OG1-O 2.89Å; T747-N750 PolarHBondContact OG1-OD1 3.18Å | ||
| 748 | C | 78.2 | Confident | 73.3 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 5% | 0.047 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -62.4 | -22.3 | 179.1 | 53.9 | 0 | 0 | 0 | 0 | 113 | R583 L584 D733 | R583-C748 HydrophobicContact CB-CB 3.64Å; R583-C748 HydrophobicContact CG-CB 4.41Å; L584-C748 HydrophobicContact CD2-CB 3.91Å; L584-C748 WeakPolarHBondContact CD2-O 3.17Å; L584-C748 HydrophobicContact CG-CB 4.3Å; D733-C748 PolarHBondContact OD1-N 3.4Å; D733-C748 VanDerWaalsContact OD1-N 3.07Å; D733-C748 PolarHBondContact OD1-SG 3.34Å |
| 749 | L | 85.4 | Confident | 75.3 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -138.7 | 126.8 | 173.9 | -169.5 | 61.3 | 0 | 0 | 0 | 111.2 | I609 S610 L613 L725 I729 T747 F751 | I609-L749 HydrophobicContact CG2-CD1 4.19Å; S610-L749 WeakPolarHBondContact OG-CD1 3.44Å; S610-L749 VanDerWaalsContact OG-CG 3.3Å; S610-L749 WeakPolarHBondContact OG-CG 3.2Å; L613-L749 HydrophobicContact CD2-CD2 3.82Å; L725-L749 HydrophobicContact CD2-CD2 4.23Å; I729-L749 HydrophobicContact CD1-CB 3.73Å; I729-L749 HydrophobicContact CD1-CD2 4.1Å; I729-L749 HydrophobicContact CG1-CB 4.09Å; I729-L749 HydrophobicContact CG1-CD2 4.25Å; I729-L749 HydrophobicContact CG2-CB 4.23Å; T747-L749 PolarHBondContact O-N 2.73Å; T747-L749 VanDerWaalsContact O-N 3.13Å; T747-L749 PolarHBondContact OG1-O 2.89Å; L749-F751 HydrophobicContact CB-CE2 4.2Å; L749-F751 HydrophobicContact CD2-CE1 4.35Å; L749-F751 HydrophobicContact CD2-CE2 4.11Å; L749-F751 HydrophobicContact CD2-CZ 3.66Å; L749-F751 HydrophobicContact CG-CE2 4.09Å; L749-F751 HydrophobicContact CG-CZ 4.09Å |
| 750 | N | 87.3 | Confident | 77.5 | Confident | 53 Ų | 53 | 46.6 Ų | 46.6 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -92.3 | 117.9 | -176 | -81.7 | -67.2 | 0 | 0 | 0 | 111.5 | N606 W607 S610 T747 | N606-N750 PolarHBondContact ND2-ND2 2.86Å; W607-N750 WeakPolarHBondContact CA-O 3.09Å; S610-N750 WeakPolarHBondContact CB-O 3.26Å; S610-N750 PolarHBondContact OG-O 3.05Å; T747-N750 PolarHBondContact OG1-OD1 3.18Å |
| 751 | F | 90.3 | Very high | 79.7 | Confident | 39 Ų | 39 | 42.8 Ų | 42.8 | 17% | 0.171 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -101.5 | 141.6 | 176.8 | -65 | -90.3 | 0 | 0 | 0 | 111.7 | I614 Y722 L725 L726 I729 L749 | I614-F751 HydrophobicContact CD1-CD1 4.43Å; I614-F751 HydrophobicContact CD1-CE1 4.12Å; Y722-F751 HydrophobicContact CD2-CD1 4.02Å; Y722-F751 HydrophobicContact CD2-CE1 4.37Å; Y722-F751 HydrophobicContact CE2-CB 4.29Å; Y722-F751 AromaticContact CE2-CD1 3.71Å; Y722-F751 HydrophobicContact CE2-CD1 3.71Å; Y722-F751 HydrophobicContact CE2-CE1 4.44Å; Y722-F751 HydrophobicContact CE2-CG 4.25Å; L725-F751 HydrophobicContact CD2-CE1 4.12Å; L725-F751 HydrophobicContact CD2-CZ 3.98Å; L725-F751 HydrophobicContact CG-CZ 4.02Å; L726-F751 HydrophobicContact CD1-CD2 3.66Å; L726-F751 HydrophobicContact CD1-CE2 3.98Å; L726-F751 HydrophobicContact CD1-CG 4.16Å; I729-F751 HydrophobicContact CB-CE2 4.17Å; I729-F751 HydrophobicContact CG1-CE2 3.95Å; I729-F751 HydrophobicContact CG1-CZ 4.16Å; I729-F751 HydrophobicContact CG2-CE2 4.19Å; L749-F751 HydrophobicContact CB-CE2 4.2Å; L749-F751 HydrophobicContact CD2-CE1 4.35Å; L749-F751 HydrophobicContact CD2-CE2 4.11Å; L749-F751 HydrophobicContact CD2-CZ 3.66Å; L749-F751 HydrophobicContact CG-CE2 4.09Å; L749-F751 HydrophobicContact CG-CZ 4.09Å |
| 752 | L | 91.4 | Very high | 82 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 155.2 | 164.4 | -65.6 | -174.2 | 0 | 0 | 0 | 110.6 | W607 I611 Y656 M756 M757 | W607-L752 HydrophobicContact CB-CD2 4.04Å; W607-L752 HydrophobicContact CB-CG 4.14Å; W607-L752 HydrophobicContact CD2-CD1 4.03Å; W607-L752 HydrophobicContact CD2-CD2 3.92Å; W607-L752 HydrophobicContact CD2-CG 3.98Å; W607-L752 HydrophobicContact CE3-CD1 3.44Å; W607-L752 VanDerWaalsContact CE3-CD1 3.44Å; W607-L752 HydrophobicContact CE3-CD2 4.19Å; W607-L752 HydrophobicContact CE3-CG 3.74Å; W607-L752 HydrophobicContact CG-CD2 3.83Å; W607-L752 HydrophobicContact CG-CG 4.15Å; W607-L752 HydrophobicContact CH2-CD1 4.5Å; W607-L752 HydrophobicContact CZ3-CD1 3.69Å; W607-L752 HydrophobicContact CZ3-CG 4.48Å; I611-L752 HydrophobicContact CD1-CD1 4.45Å; Y656-L752 HydrophobicContact CD2-CD1 3.8Å; Y656-L752 HydrophobicContact CD2-CD2 3.68Å; Y656-L752 HydrophobicContact CD2-CG 4.42Å; Y656-L752 HydrophobicContact CE2-CD2 3.93Å; Y656-L752 HydrophobicContact CG-CD1 4.27Å; L752-M756 HydrophobicContact CB-CB 4.1Å; L752-M756 HydrophobicContact CB-SD 4.34Å; L752-M756 HydrophobicContact CD1-CB 4.11Å; L752-M756 HydrophobicContact CD1-SD 4.23Å; L752-M756 HydrophobicContact CD2-SD 4.21Å; L752-M757 HydrophobicContact CB-CG 3.73Å; L752-M757 HydrophobicContact CB-SD 4.02Å; L752-M757 VanDerWaalsContact O-SD 3.39Å |
| 753 | P | 91.7 | Very high | 84.3 | Confident | 29 Ų | 29 | 29.8 Ų | 29.8 | 19% | 0.188 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 151.7 | 169.8 | -25.2 | 34.7 | 0 | 0 | 0 | 112.8 | Y755 M756 M757 | P753-Y755 VanDerWaalsContact C-N 3.3Å; P753-Y755 HydrophobicContact CB-CD1 3.94Å; P753-Y755 HydrophobicContact CB-CE1 3.4Å; P753-Y755 HydrophobicContact CB-CE2 4.04Å; P753-Y755 HydrophobicContact CB-CG 4.46Å; P753-Y755 VanDerWaalsContact CB-CZ 3.45Å; P753-Y755 HydrophobicContact CG-CE1 4.25Å; P753-Y755 PolarHBondContact O-N 2.92Å; P753-M756 HydrophobicContact CB-CG 4.4Å; P753-M756 HydrophobicContact CG-CE 4.4Å; P753-M756 WeakPolarHBondContact O-CA 3.29Å; P753-M756 WeakPolarHBondContact O-CB 3.44Å; P753-M756 PolarHBondContact O-N 3.03Å; P753-M757 PolarHBondContact O-N 2.74Å |
| 754 | I | 94.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.2 | -38.7 | -172.7 | -70.9 | 159.9 | 0 | 0 | 0 | 112 | Y52 L127 I130 T131 Y722 M756 M757 F758 | Y52-I754 HydrophobicContact CD1-CG2 4.3Å; Y52-I754 HydrophobicContact CD2-CG2 4.39Å; Y52-I754 HydrophobicContact CG-CG2 3.94Å; L127-I754 HydrophobicContact CB-CD1 4.27Å; L127-I754 HydrophobicContact CB-CG2 3.89Å; L127-I754 HydrophobicContact CD1-CG1 4.39Å; L127-I754 HydrophobicContact CD1-CG2 3.65Å; L127-I754 HydrophobicContact CG-CG2 4.45Å; I130-I754 HydrophobicContact CB-CD1 3.43Å; I130-I754 VanDerWaalsContact CB-CD1 3.43Å; I130-I754 HydrophobicContact CG2-CD1 3.43Å; I130-I754 VanDerWaalsContact CG2-CD1 3.43Å; T131-I754 WeakPolarHBondContact OG1-CG2 3.31Å; Y722-I754 HydrophobicContact CE1-CD1 3.97Å; Y722-I754 HydrophobicContact CE1-CG1 3.64Å; Y722-I754 WeakPolarHBondContact OH-CG1 3.36Å; I754-M756 PolarHBondContact O-N 3.36Å; I754-M756 VanDerWaalsContact O-N 3.12Å; I754-M757 PolarHBondContact O-N 3.43Å; I754-F758 HydrophobicContact CG2-CB 4.3Å; I754-F758 HydrophobicContact CG2-CD2 4.45Å; I754-F758 CarbonylContact O-C 3.54Å; I754-F758 WeakPolarHBondContact O-CA 3.47Å; I754-F758 PolarHBondContact O-N 2.91Å |
| 755 | Y | 91.3 | Very high | 88.7 | Confident | 10 Ų | 10 | 20.8 Ų | 20.8 | 4% | 0.039 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.9 | -9.2 | 176.4 | 60.8 | -102.1 | 0 | 0 | 0 | 113.8 | L53 Q138 I659 H667 Y670 P753 P759 | L53-Y755 HydrophobicContact CD1-CD2 4.25Å; L53-Y755 HydrophobicContact CD1-CG 4.47Å; Q138-Y755 PolarHBondContact NE2-OH 3.37Å; I659-Y755 HydrophobicContact CD1-CD2 3.96Å; I659-Y755 HydrophobicContact CD1-CE2 4.02Å; H667-Y755 AromaticContact NE2-CE1 3.83Å; Y670-Y755 HydrophobicContact CE2-CD2 4.13Å; Y670-Y755 HydrophobicContact CE2-CE2 4.04Å; Y670-Y755 AromaticContact CZ-CE2 3.83Å; Y670-Y755 WeakPolarHBondContact OH-CE2 3.43Å; Y670-Y755 PolarHBondContact OH-OH 3.43Å; Y670-Y755 VanDerWaalsContact OH-OH 3.09Å; P753-Y755 VanDerWaalsContact C-N 3.3Å; P753-Y755 HydrophobicContact CB-CD1 3.94Å; P753-Y755 HydrophobicContact CB-CE1 3.4Å; P753-Y755 HydrophobicContact CB-CE2 4.04Å; P753-Y755 HydrophobicContact CB-CG 4.46Å; P753-Y755 VanDerWaalsContact CB-CZ 3.45Å; P753-Y755 HydrophobicContact CG-CE1 4.25Å; P753-Y755 PolarHBondContact O-N 2.92Å; Y755-P759 WeakPolarHBondContact O-CA 3.09Å; Y755-P759 WeakPolarHBondContact O-CB 3.3Å |
| 756 | M | 92.7 | Very high | 90.7 | Very high | 22 Ų | 22 | 15.5 Ų | 15.5 | 11% | 0.108 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -92.9 | -43.2 | 169.9 | -56.2 | -164 | 177.4 | 0 | 0 | 112.5 | T655 Y656 I659 L752 P753 I754 | T655-M756 WeakPolarHBondContact CB-O 3.4Å; T655-M756 HydrophobicContact CG2-CB 4.45Å; Y656-M756 HydrophobicContact CD2-SD 4.41Å; I659-M756 HydrophobicContact CB-CE 4.13Å; I659-M756 HydrophobicContact CD1-CE 4.38Å; I659-M756 HydrophobicContact CD1-CG 4.11Å; I659-M756 HydrophobicContact CG2-CE 3.76Å; L752-M756 HydrophobicContact CB-CB 4.1Å; L752-M756 HydrophobicContact CB-SD 4.34Å; L752-M756 HydrophobicContact CD1-CB 4.11Å; L752-M756 HydrophobicContact CD1-SD 4.23Å; L752-M756 HydrophobicContact CD2-SD 4.21Å; P753-M756 HydrophobicContact CB-CG 4.4Å; P753-M756 HydrophobicContact CG-CE 4.4Å; P753-M756 WeakPolarHBondContact O-CA 3.29Å; P753-M756 WeakPolarHBondContact O-CB 3.44Å; P753-M756 PolarHBondContact O-N 3.03Å; I754-M756 PolarHBondContact O-N 3.36Å; I754-M756 VanDerWaalsContact O-N 3.12Å |
| 757 | M | 94.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 11.9 Ų | 11.9 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -79.5 | -34.1 | -177.6 | -62.3 | -179.9 | 58 | 0 | 0 | 112.8 | I611 I614 F648 C652 Y722 L752 P753 I754 | I611-M757 HydrophobicContact CG1-CE 4.11Å; I614-M757 HydrophobicContact CD1-CE 3.44Å; I614-M757 VanDerWaalsContact CD1-CE 3.44Å; F648-M757 HydrophobicContact CZ-CE 4.23Å; C652-M757 PolarHBondContact SG-O 3.47Å; C652-M757 VanDerWaalsContact SG-O 3.38Å; Y722-M757 HydrophobicContact CD2-CE 3.64Å; Y722-M757 HydrophobicContact CD2-SD 4.08Å; Y722-M757 HydrophobicContact CE2-CE 3.81Å; Y722-M757 HydrophobicContact CE2-SD 3.59Å; Y722-M757 VanDerWaalsContact CE2-SD 3.59Å; L752-M757 HydrophobicContact CB-CG 3.73Å; L752-M757 HydrophobicContact CB-SD 4.02Å; L752-M757 VanDerWaalsContact O-SD 3.39Å; P753-M757 PolarHBondContact O-N 2.74Å; I754-M757 PolarHBondContact O-N 3.43Å |
| 758 | F | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -132.2 | 60.2 | -176.1 | -57.4 | -81.1 | 0 | 0 | 0 | 109.4 | Y52 L127 F648 Y715 L718 Q719 Y722 I754 S760 | Y52-F758 WeakPolarHBondContact CB-O 3.38Å; Y52-F758 HydrophobicContact CD2-CB 4.01Å; Y52-F758 VanDerWaalsContact CD2-O 3.22Å; Y52-F758 WeakPolarHBondContact CD2-O 3.39Å; Y52-F758 HydrophobicContact CE2-CB 4.36Å; L127-F758 HydrophobicContact CD1-CB 4.05Å; L127-F758 HydrophobicContact CD1-CD1 4.34Å; L127-F758 HydrophobicContact CD1-CD2 3.27Å; L127-F758 HydrophobicContact CD1-CE2 3.71Å; L127-F758 HydrophobicContact CD1-CG 3.64Å; L127-F758 HydrophobicContact CD1-CZ 4.4Å; F648-F758 HydrophobicContact CD2-CE1 4.47Å; F648-F758 HydrophobicContact CE2-CD1 4.33Å; F648-F758 AromaticContact CE2-CE1 3.71Å; F648-F758 HydrophobicContact CE2-CE1 3.71Å; F648-F758 AromaticContact CE2-CZ 3.84Å; F648-F758 HydrophobicContact CE2-CZ 3.84Å; F648-F758 HydrophobicContact CZ-CE1 4.4Å; F648-F758 HydrophobicContact CZ-CZ 4.12Å; Y715-F758 HydrophobicContact CD2-CD1 4.4Å; Y715-F758 AromaticContact CE2-CD1 3.68Å; Y715-F758 HydrophobicContact CE2-CD1 3.68Å; Y715-F758 HydrophobicContact CE2-CE1 4.41Å; L718-F758 HydrophobicContact CB-CE1 3.9Å; L718-F758 HydrophobicContact CB-CZ 4.31Å; Q719-F758 HydrophobicContact CG-CD1 3.79Å; Q719-F758 HydrophobicContact CG-CE1 3.71Å; Q719-F758 HydrophobicContact CG-CG 4.39Å; Q719-F758 HydrophobicContact CG-CZ 4.26Å; Y722-F758 HydrophobicContact CD1-CE2 4.21Å; Y722-F758 AromaticContact CD2-CE2 4Å; Y722-F758 HydrophobicContact CD2-CE2 4Å; Y722-F758 AromaticContact CG-CE2 3.78Å; Y722-F758 HydrophobicContact CG-CE2 3.78Å; Y722-F758 HydrophobicContact CG-CZ 4.38Å; I754-F758 HydrophobicContact CG2-CB 4.3Å; I754-F758 HydrophobicContact CG2-CD2 4.45Å; I754-F758 CarbonylContact O-C 3.54Å; I754-F758 WeakPolarHBondContact O-CA 3.47Å; I754-F758 PolarHBondContact O-N 2.91Å; F758-S760 PolarHBondContact O-N 3.2Å |
| 759 | P | 96.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.006 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -63.6 | -40.5 | -174.2 | 23.9 | -33.7 | 0 | 0 | 0 | 113.2 | E51 Y52 L53 I651 T655 F678 Y755 L763 | E51-P759 CarbonylContact C-O 3.52Å; Y52-P759 PolarHBondContact N-O 3.21Å; L53-P759 HydrophobicContact CB-CB 4.02Å; L53-P759 VanDerWaalsContact CB-O 3.29Å; L53-P759 WeakPolarHBondContact CB-O 3.38Å; L53-P759 HydrophobicContact CD2-CB 4.25Å; L53-P759 PolarHBondContact N-O 2.99Å; I651-P759 HydrophobicContact CG2-CG 3.38Å; T655-P759 HydrophobicContact CG2-CB 4.2Å; T655-P759 HydrophobicContact CG2-CG 4.36Å; F678-P759 HydrophobicContact CD2-CB 4.11Å; F678-P759 HydrophobicContact CE2-CB 3.75Å; F678-P759 HydrophobicContact CE2-CG 4.14Å; Y755-P759 WeakPolarHBondContact O-CA 3.09Å; Y755-P759 WeakPolarHBondContact O-CB 3.3Å; P759-L763 HydrophobicContact CG-CD2 4.48Å |
| 760 | S | 97.2 | Very high | 94.1 | Very high | 3 Ų | 3 | 11.5 Ų | 11.5 | 2% | 0.021 | 6% | 0.057 | C | C | . | . | trans | -159.8 | 120.6 | -171.7 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | E51 F758 Y762 L763 F764 | E51-S760 PolarHBondContact OE1-OG 3.3Å; E51-S760 WeakPolarHBondContact OE2-CB 3.5Å; E51-S760 PolarHBondContact OE2-OG 3.04Å; F758-S760 PolarHBondContact O-N 3.2Å; S760-Y762 VanDerWaalsContact C-N 3.31Å; S760-Y762 PolarHBondContact OG-N 2.86Å; S760-L763 PolarHBondContact O-N 3.38Å; S760-L763 PolarHBondContact OG-N 3.15Å; S760-F764 PolarHBondContact O-N 2.94Å; S760-F764 VanDerWaalsContact O-N 3.09Å | ||
| 761 | G | 97.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 9 Ų | 9 | 2% | 0.021 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -68.5 | -31.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G50 E51 Y715 F764 H765 | G50-G761 PolarHBondContact O-N 2.85Å; E51-G761 PolarHBondContact OE1-N 2.84Å; E51-G761 VanDerWaalsContact OE1-N 3.1Å; Y715-G761 PolarHBondContact OH-N 3.49Å; G761-F764 PolarHBondContact O-N 3.06Å; G761-H765 VanDerWaalsContact O-CB 3.32Å; G761-H765 WeakPolarHBondContact O-CB 3.38Å; G761-H765 PolarHBondContact O-N 3.24Å |
| 762 | Y | 96.8 | Very high | 94.2 | Very high | 14 Ų | 14 | 10.5 Ų | 10.5 | 6% | 0.055 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 171.4 | 172.9 | -115.9 | 0 | 0 | 0 | 111.4 | Y45 F48 E51 I115 Y679 A682 S760 H765 Q766 | Y45-Y762 HydrophobicContact CD2-CG 4.43Å; F48-Y762 HydrophobicContact CD2-CD2 4.44Å; F48-Y762 HydrophobicContact CE1-CD2 4.13Å; F48-Y762 AromaticContact CE2-CD2 3.78Å; F48-Y762 HydrophobicContact CE2-CD2 3.78Å; F48-Y762 HydrophobicContact CE2-CG 4.27Å; F48-Y762 AromaticContact CZ-CD2 3.62Å; F48-Y762 HydrophobicContact CZ-CD2 3.62Å; F48-Y762 HydrophobicContact CZ-CE2 4.42Å; F48-Y762 HydrophobicContact CZ-CG 4.5Å; E51-Y762 WeakPolarHBondContact OE1-CB 3.29Å; E51-Y762 PolarHBondContact OE1-N 2.99Å; I115-Y762 HydrophobicContact CG2-CD2 3.8Å; I115-Y762 HydrophobicContact CG2-CE2 3.52Å; Y679-Y762 HydrophobicContact CD1-CD1 4.32Å; Y679-Y762 HydrophobicContact CD1-CE1 4.25Å; Y679-Y762 HydrophobicContact CD2-CD1 4.45Å; Y679-Y762 HydrophobicContact CE1-CD1 4.34Å; Y679-Y762 HydrophobicContact CE2-CD1 4.45Å; Y679-Y762 HydrophobicContact CG-CD1 4.4Å; Y679-Y762 HydrophobicContact CG-CE1 4.43Å; A682-Y762 HydrophobicContact CB-CD1 4.12Å; A682-Y762 HydrophobicContact CB-CE1 3.56Å; S760-Y762 VanDerWaalsContact C-N 3.31Å; S760-Y762 PolarHBondContact OG-N 2.86Å; Y762-H765 PolarHBondContact O-N 2.8Å; Y762-Q766 HydrophobicContact CD2-CG 4.13Å; Y762-Q766 HydrophobicContact CE1-CG 4.37Å; Y762-Q766 HydrophobicContact CE2-CG 3.65Å; Y762-Q766 WeakPolarHBondContact O-CG 3.3Å; Y762-Q766 PolarHBondContact O-N 3.31Å; Y762-Q766 PolarHBondContact O-NE2 3.1Å |
| 763 | L | 97.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.9 | -49.1 | 175.7 | -177.5 | 68.5 | 0 | 0 | 0 | 111.4 | I651 F678 A682 P759 S760 H765 Q766 I767 L938 | I651-L763 HydrophobicContact CD1-CD2 4.27Å; I651-L763 HydrophobicContact CD1-CG 4.15Å; I651-L763 HydrophobicContact CG1-CD2 4.22Å; I651-L763 HydrophobicContact CG1-CG 4.49Å; I651-L763 HydrophobicContact CG2-CD2 4.26Å; F678-L763 HydrophobicContact CB-CD1 4.34Å; F678-L763 HydrophobicContact CB-CD2 4.05Å; F678-L763 HydrophobicContact CD1-CD2 4.05Å; F678-L763 HydrophobicContact CD2-CD2 4.1Å; F678-L763 HydrophobicContact CG-CD2 3.82Å; A682-L763 HydrophobicContact CB-CD1 4.01Å; P759-L763 HydrophobicContact CG-CD2 4.48Å; S760-L763 PolarHBondContact O-N 3.38Å; S760-L763 PolarHBondContact OG-N 3.15Å; L763-H765 VanDerWaalsContact C-N 3.3Å; L763-H765 PolarHBondContact O-N 3.18Å; L763-Q766 PolarHBondContact O-N 2.87Å; L763-I767 HydrophobicContact CD1-CD1 3.74Å; L763-I767 HydrophobicContact CD1-CG1 4.27Å; L763-I767 HydrophobicContact CD2-CD1 4.49Å; L763-I767 HydrophobicContact CG-CD1 3.85Å; L763-I767 WeakPolarHBondContact O-CG1 3.44Å; L763-I767 PolarHBondContact O-N 3.32Å; L763-L938 HydrophobicContact CD1-CD2 4.15Å; L763-L938 HydrophobicContact CD2-CD2 4.2Å |
| 764 | F | 97.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 10 Ų | 10 | 1% | 0.013 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -54.7 | -47.8 | 175.6 | -171.5 | -81.5 | 0 | 0 | 0 | 111.1 | I644 T647 F648 I651 N711 Y715 L718 S760 G761 Q766 I767 Y768 | I644-F764 HydrophobicContact CG2-CZ 4.26Å; T647-F764 HydrophobicContact CG2-CD1 4.24Å; T647-F764 HydrophobicContact CG2-CD2 3.49Å; T647-F764 VanDerWaalsContact CG2-CD2 3.49Å; T647-F764 HydrophobicContact CG2-CE1 4.31Å; T647-F764 HydrophobicContact CG2-CE2 3.58Å; T647-F764 HydrophobicContact CG2-CG 3.84Å; T647-F764 HydrophobicContact CG2-CZ 3.99Å; F648-F764 HydrophobicContact CB-CE2 4.14Å; I651-F764 HydrophobicContact CD1-CB 4.03Å; I651-F764 HydrophobicContact CD1-CD2 4.05Å; I651-F764 HydrophobicContact CD1-CG 4.42Å; N711-F764 WeakPolarHBondContact OD1-CD1 3.37Å; N711-F764 WeakPolarHBondContact OD1-CE1 3.39Å; Y715-F764 HydrophobicContact CD2-CB 3.91Å; Y715-F764 AromaticContact CD2-CD1 3.67Å; Y715-F764 HydrophobicContact CD2-CD1 3.67Å; Y715-F764 AromaticContact CD2-CD2 3.43Å; Y715-F764 HydrophobicContact CD2-CD2 3.43Å; Y715-F764 VanDerWaalsContact CD2-CD2 3.43Å; Y715-F764 HydrophobicContact CD2-CE1 4.02Å; Y715-F764 AromaticContact CD2-CE2 3.8Å; Y715-F764 HydrophobicContact CD2-CE2 3.8Å; Y715-F764 AromaticContact CD2-CG 3.37Å; Y715-F764 HydrophobicContact CD2-CG 3.37Å; Y715-F764 HydrophobicContact CD2-CZ 4.08Å; Y715-F764 HydrophobicContact CE2-CB 3.78Å; Y715-F764 HydrophobicContact CE2-CD1 4.4Å; Y715-F764 AromaticContact CE2-CD2 3.61Å; Y715-F764 HydrophobicContact CE2-CD2 3.61Å; Y715-F764 HydrophobicContact CE2-CE2 4.31Å; Y715-F764 AromaticContact CE2-CG 3.67Å; Y715-F764 HydrophobicContact CE2-CG 3.67Å; Y715-F764 HydrophobicContact CG-CB 4.46Å; Y715-F764 AromaticContact CG-CD1 3.95Å; Y715-F764 HydrophobicContact CG-CD1 3.95Å; Y715-F764 HydrophobicContact CG-CD2 4.48Å; Y715-F764 HydrophobicContact CG-CE1 4.33Å; Y715-F764 HydrophobicContact CG-CG 4.05Å; L718-F764 HydrophobicContact CD1-CE2 3.98Å; L718-F764 HydrophobicContact CD1-CZ 3.95Å; S760-F764 PolarHBondContact O-N 2.94Å; S760-F764 VanDerWaalsContact O-N 3.09Å; G761-F764 PolarHBondContact O-N 3.06Å; F764-Q766 PolarHBondContact O-N 3.36Å; F764-I767 PolarHBondContact O-N 3.47Å; F764-Y768 VanDerWaalsContact O-CB 3.31Å; F764-Y768 WeakPolarHBondContact O-CB 3.31Å; F764-Y768 PolarHBondContact O-N 2.94Å |
| 765 | H | 96.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.009 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.7 | -46.7 | -179.9 | 179.5 | -69.9 | 0 | 0 | 0 | 112.3 | F48 N705 T706 N711 G761 Y762 L763 F769 | F48-H765 HydrophobicContact CD1-CB 3.72Å; F48-H765 AromaticContact CD1-CG 3.92Å; F48-H765 HydrophobicContact CE1-CB 4.02Å; F48-H765 AromaticContact CE1-CG 3.85Å; N705-H765 PolarHBondContact OD1-NE2 3.27Å; T706-H765 PolarHBondContact O-NE2 2.84Å; N711-H765 WeakPolarHBondContact ND2-CA 3.43Å; N711-H765 PolarHBondContact ND2-CD2 3.3Å; N711-H765 VanDerWaalsContact ND2-CD2 3.34Å; N711-H765 PolarHBondContact ND2-O 2.79Å; G761-H765 VanDerWaalsContact O-CB 3.32Å; G761-H765 WeakPolarHBondContact O-CB 3.38Å; G761-H765 PolarHBondContact O-N 3.24Å; Y762-H765 PolarHBondContact O-N 2.8Å; L763-H765 VanDerWaalsContact C-N 3.3Å; L763-H765 PolarHBondContact O-N 3.18Å; H765-F769 WeakPolarHBondContact O-CB 3.31Å; H765-F769 PolarHBondContact O-N 2.85Å; H765-F769 VanDerWaalsContact O-N 3.1Å |
| 766 | Q | 95.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.6 | -41.8 | -179 | -61.8 | -29 | -75.4 | 0 | 0 | 112.2 | A682 I686 N705 Y762 L763 F764 F769 C770 | A682-Q766 HydrophobicContact CB-CB 4.03Å; A682-Q766 HydrophobicContact CB-CG 3.75Å; I686-Q766 HydrophobicContact CD1-CB 4.13Å; I686-Q766 HydrophobicContact CG1-CB 3.88Å; I686-Q766 HydrophobicContact CG1-CG 4.07Å; N705-Q766 PolarHBondContact ND2-OE1 3.25Å; Y762-Q766 HydrophobicContact CD2-CG 4.13Å; Y762-Q766 HydrophobicContact CE1-CG 4.37Å; Y762-Q766 HydrophobicContact CE2-CG 3.65Å; Y762-Q766 WeakPolarHBondContact O-CG 3.3Å; Y762-Q766 PolarHBondContact O-N 3.31Å; Y762-Q766 PolarHBondContact O-NE2 3.1Å; L763-Q766 PolarHBondContact O-N 2.87Å; F764-Q766 PolarHBondContact O-N 3.36Å; Q766-F769 PolarHBondContact O-N 3.06Å; Q766-C770 PolarHBondContact O-N 3Å |
| 767 | I | 95.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.9 | -45.4 | -179.6 | -69.4 | 178.5 | 0 | 0 | 0 | 110.8 | T647 I651 L685 L763 F764 F769 C770 I771 I934 L938 | T647-I767 HydrophobicContact CG2-CB 4.07Å; T647-I767 HydrophobicContact CG2-CG2 3.85Å; I651-I767 HydrophobicContact CD1-CD1 4Å; I651-I767 HydrophobicContact CG1-CD1 3.86Å; L685-I767 HydrophobicContact CD1-CD1 4.22Å; L685-I767 HydrophobicContact CD1-CG1 3.84Å; L763-I767 HydrophobicContact CD1-CD1 3.74Å; L763-I767 HydrophobicContact CD1-CG1 4.27Å; L763-I767 HydrophobicContact CD2-CD1 4.49Å; L763-I767 HydrophobicContact CG-CD1 3.85Å; L763-I767 WeakPolarHBondContact O-CG1 3.44Å; L763-I767 PolarHBondContact O-N 3.32Å; F764-I767 PolarHBondContact O-N 3.47Å; I767-F769 VanDerWaalsContact C-N 3.3Å; I767-F769 PolarHBondContact O-N 3.14Å; I767-C770 PolarHBondContact O-N 3.47Å; I767-C770 VanDerWaalsContact O-N 3.17Å; I767-I771 HydrophobicContact CG2-CD1 3.8Å; I767-I771 HydrophobicContact CG2-CG1 4.43Å; I767-I771 WeakPolarHBondContact O-CG1 3.42Å; I767-I771 PolarHBondContact O-N 3.14Å; I767-I771 VanDerWaalsContact O-N 3.08Å; I767-I934 HydrophobicContact CD1-CG2 3.9Å; I767-I934 HydrophobicContact CG1-CG2 4.37Å; I767-I934 HydrophobicContact CG2-CD1 3.85Å; I767-I934 HydrophobicContact CG2-CG1 4.43Å; I767-I934 HydrophobicContact CG2-CG2 3.95Å; I767-L938 HydrophobicContact CD1-CD1 4.01Å; I767-L938 HydrophobicContact CD1-CD2 4.21Å; I767-L938 HydrophobicContact CD1-CG 4.42Å |
| 768 | Y | 94.5 | Very high | 86.2 | Confident | 19 Ų | 19 | 22.2 Ų | 22.2 | 8% | 0.075 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.5 | -43 | 174.9 | 174.3 | -90.2 | 0 | 0 | 0 | 111.9 | P643 I644 T647 N711 F764 C770 I771 N772 | P643-Y768 HydrophobicContact CB-CD2 3.97Å; P643-Y768 HydrophobicContact CB-CE2 3.79Å; I644-Y768 HydrophobicContact CD1-CE2 4.39Å; I644-Y768 HydrophobicContact CG1-CD2 4.05Å; I644-Y768 HydrophobicContact CG1-CE2 3.53Å; T647-Y768 WeakPolarHBondContact OG1-CA 3.06Å; N711-Y768 HydrophobicContact CB-CD1 3.82Å; N711-Y768 HydrophobicContact CB-CE1 3.89Å; N711-Y768 WeakPolarHBondContact ND2-CD1 3.47Å; F764-Y768 VanDerWaalsContact O-CB 3.31Å; F764-Y768 WeakPolarHBondContact O-CB 3.31Å; F764-Y768 PolarHBondContact O-N 2.94Å; Y768-C770 VanDerWaalsContact C-N 3.28Å; Y768-C770 PolarHBondContact O-N 3.28Å; Y768-I771 PolarHBondContact O-N 3.45Å; Y768-N772 HydrophobicContact CD1-CB 4.18Å; Y768-N772 HydrophobicContact CE1-CB 3.84Å; Y768-N772 HydrophobicContact CE2-CB 4.15Å; Y768-N772 WeakPolarHBondContact O-CB 3.33Å; Y768-N772 PolarHBondContact O-N 3.12Å |
| 769 | F | 91.7 | Very high | 83.2 | Confident | 25 Ų | 25 | 29.9 Ų | 29.9 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.2 | -40.7 | 177.8 | 173.2 | -88.1 | 0 | 0 | 0 | 112.3 | I686 F689 V703 N705 H765 Q766 I767 S773 | I686-F769 HydrophobicContact CD1-CD1 3.46Å; I686-F769 VanDerWaalsContact CD1-CD1 3.46Å; I686-F769 HydrophobicContact CD1-CE1 4.03Å; I686-F769 HydrophobicContact CD1-CG 4.28Å; F689-F769 HydrophobicContact CD1-CD1 4.33Å; F689-F769 HydrophobicContact CD1-CE1 4.06Å; F689-F769 HydrophobicContact CE1-CD1 4.44Å; F689-F769 HydrophobicContact CE1-CE1 4.19Å; V703-F769 HydrophobicContact CB-CZ 4.45Å; V703-F769 HydrophobicContact CG1-CE2 3.81Å; V703-F769 HydrophobicContact CG1-CZ 3.64Å; N705-F769 HydrophobicContact CB-CE1 4.01Å; N705-F769 HydrophobicContact CB-CE2 4.05Å; N705-F769 HydrophobicContact CB-CZ 3.72Å; H765-F769 WeakPolarHBondContact O-CB 3.31Å; H765-F769 PolarHBondContact O-N 2.85Å; H765-F769 VanDerWaalsContact O-N 3.1Å; Q766-F769 PolarHBondContact O-N 3.06Å; I767-F769 VanDerWaalsContact C-N 3.3Å; I767-F769 PolarHBondContact O-N 3.14Å; F769-S773 VanDerWaalsContact O-CB 3.27Å; F769-S773 WeakPolarHBondContact O-CB 3.45Å; F769-S773 PolarHBondContact O-N 3.06Å; F769-S773 PolarHBondContact O-OG 3.42Å |
| 770 | C | 91.6 | Very high | 80 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.2 | -52.3 | 174.7 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | F689 Q766 I767 Y768 S773 Y929 | F689-C770 HydrophobicContact CD1-CB 4.16Å; F689-C770 HydrophobicContact CD2-CB 4.3Å; F689-C770 HydrophobicContact CE1-CB 4.41Å; F689-C770 HydrophobicContact CG-CB 4.12Å; F689-C770 VanDerWaalsContact CZ-O 3.31Å; F689-C770 WeakPolarHBondContact CZ-O 2.85Å; Q766-C770 PolarHBondContact O-N 3Å; I767-C770 PolarHBondContact O-N 3.47Å; I767-C770 VanDerWaalsContact O-N 3.17Å; Y768-C770 VanDerWaalsContact C-N 3.28Å; Y768-C770 PolarHBondContact O-N 3.28Å; C770-S773 PolarHBondContact O-N 3.29Å; C770-Y929 HydrophobicContact CB-CE1 3.7Å |
| 771 | I | 91 | Very high | 76.7 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.6 | -45.7 | -175.5 | -56.7 | 166.7 | 0 | 0 | 0 | 111.6 | P643 L646 T647 I767 Y768 S773 I774 R926 V930 I934 | P643-I771 HydrophobicContact CB-CB 4.21Å; P643-I771 HydrophobicContact CB-CG2 3.81Å; P643-I771 HydrophobicContact CG-CG2 4.28Å; L646-I771 HydrophobicContact CB-CD1 4.13Å; L646-I771 HydrophobicContact CD1-CG2 3.96Å; T647-I771 WeakPolarHBondContact OG1-CD1 3.44Å; I767-I771 HydrophobicContact CG2-CD1 3.8Å; I767-I771 HydrophobicContact CG2-CG1 4.43Å; I767-I771 WeakPolarHBondContact O-CG1 3.42Å; I767-I771 PolarHBondContact O-N 3.14Å; I767-I771 VanDerWaalsContact O-N 3.08Å; Y768-I771 PolarHBondContact O-N 3.45Å; I771-S773 PolarHBondContact O-N 3.24Å; I771-I774 WeakPolarHBondContact O-CB 3.28Å; I771-I774 PolarHBondContact O-N 3.44Å; I771-I774 VanDerWaalsContact O-N 3.07Å; I771-R926 HydrophobicContact CG2-CB 3.9Å; I771-R926 HydrophobicContact CG2-CG 4.05Å; I771-V930 HydrophobicContact CD1-CG2 3.49Å; I771-V930 VanDerWaalsContact CD1-CG2 3.49Å; I771-V930 HydrophobicContact CG1-CG2 3.86Å; I771-I934 HydrophobicContact CD1-CD1 3.71Å; I771-I934 HydrophobicContact CG1-CD1 3.46Å; I771-I934 VanDerWaalsContact CG1-CD1 3.46Å |
| 772 | N | 88.3 | Confident | 73.5 | Confident | 70 Ų | 70 | 50.1 Ų | 50.1 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.8 | -24.9 | -177.1 | -173.2 | 55.1 | 0 | 0 | 0 | 112.7 | P643 Y768 I774 | P643-N772 HydrophobicContact CB-CB 4.04Å; P643-N772 HydrophobicContact CG-CB 4.18Å; Y768-N772 HydrophobicContact CD1-CB 4.18Å; Y768-N772 HydrophobicContact CE1-CB 3.84Å; Y768-N772 HydrophobicContact CE2-CB 4.15Å; Y768-N772 WeakPolarHBondContact O-CB 3.33Å; Y768-N772 PolarHBondContact O-N 3.12Å; N772-I774 VanDerWaalsContact C-N 3.29Å |
| 773 | S | 84.9 | Confident | 70.6 | Confident | 30 Ų | 30 | 59.3 Ų | 59.3 | 21% | 0.21 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -7.6 | 176.2 | -64.9 | 0 | 0 | 0 | 0 | 113.6 | F769 C770 I771 | F769-S773 VanDerWaalsContact O-CB 3.27Å; F769-S773 WeakPolarHBondContact O-CB 3.45Å; F769-S773 PolarHBondContact O-N 3.06Å; F769-S773 PolarHBondContact O-OG 3.42Å; C770-S773 PolarHBondContact O-N 3.29Å; I771-S773 PolarHBondContact O-N 3.24Å |
| 774 | I | 84 | Confident | 67.3 | Low | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -89.3 | 135.3 | 175.3 | -64 | 167.5 | 0 | 0 | 0 | 110.1 | F689 I771 N772 P925 R926 Y929 | F689-I774 HydrophobicContact CE2-CD1 4.36Å; F689-I774 HydrophobicContact CE2-CG1 4.05Å; F689-I774 HydrophobicContact CZ-CG1 4.39Å; I771-I774 WeakPolarHBondContact O-CB 3.28Å; I771-I774 PolarHBondContact O-N 3.44Å; I771-I774 VanDerWaalsContact O-N 3.07Å; N772-I774 VanDerWaalsContact C-N 3.29Å; I774-P925 HydrophobicContact CG2-CB 4.02Å; I774-P925 HydrophobicContact CG2-CG 4.15Å; I774-R926 HydrophobicContact CB-CG 4.16Å; I774-R926 HydrophobicContact CG2-CG 4.05Å; I774-R926 PolarHBondContact O-NE 2.88Å; I774-Y929 HydrophobicContact CD1-CD1 3.57Å; I774-Y929 HydrophobicContact CD1-CD2 3.88Å; I774-Y929 HydrophobicContact CD1-CE1 4.22Å; I774-Y929 HydrophobicContact CD1-CE2 4.49Å; I774-Y929 HydrophobicContact CD1-CG 3.38Å |
| 775 | Q | 68.8 | Low | 64.1 | Low | 77 Ų | 77 | 68.3 Ų | 68.3 | 36% | 0.36 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -65 | 134 | 179 | -62.4 | -178.3 | 67.3 | 0 | 0 | 111.4 | L696 K698 P925 | L696-Q775 PolarHBondContact O-NE2 3Å; K698-Q775 HydrophobicContact CB-CG 4.2Å; K698-Q775 HydrophobicContact CD-CG 4.43Å; K698-Q775 HydrophobicContact CG-CG 4.48Å; Q775-P925 VanDerWaalsContact O-CG 3.22Å; Q775-P925 WeakPolarHBondContact O-CG 3.34Å |
| 776 | S | 60.1 | Low | 61.1 | Low | 36 Ų | 36 | 74.7 Ų | 74.7 | 25% | 0.252 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 144 | 164.9 | 47.7 | 0 | 0 | 0 | 0 | 110.6 | N778 | S776-N778 PolarHBondContact O-N 2.94Š|
| 777 | N | 49 | Very low | 58.3 | Low | 85 Ų | 85 | 81.1 Ų | 81.1 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | trans | -78.9 | 33.4 | -172.7 | -101.2 | -17.6 | 0 | 0 | 0 | 114.5 | K779 D923 | N777-K779 VanDerWaalsContact C-N 3.27Å; N777-K779 PolarHBondContact O-N 2.99Å; N777-D923 PolarHBondContact ND2-O 2.97Å | ||
| 778 | N | 41 | Very low | 55.3 | Low | 93 Ų | 93 | 88.3 Ų | 88.3 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | trans | -75.5 | 74.4 | 176.5 | -72.6 | -11.5 | 0 | 0 | 0 | 111.4 | S776 N780 | S776-N778 PolarHBondContact O-N 2.94Å; N778-N780 PolarHBondContact O-N 3.24Å | ||
| 779 | K | 33 | Very low | 52.6 | Low | 160 Ų | 160 | 92.2 Ų | 92.2 | 70% | 0.696 | 51% | 0.514 | S | S | * | . | trans | -76.2 | 114.4 | 170.1 | -77.9 | 179.4 | -179.9 | 166.7 | 0 | 110.5 | N777 N781 | N777-K779 VanDerWaalsContact C-N 3.27Å; N777-K779 PolarHBondContact O-N 2.99Å; K779-N781 PolarHBondContact O-N 3.42Å | ||
| 780 | N | 29.2 | Very low | 49.8 | Very low | 129 Ų | 129 | 97.9 Ų | 97.9 | 69% | 0.69 | 55% | 0.545 | S | S | * | . | trans | -69.9 | 77.6 | 166.1 | -75.8 | -28 | 0 | 0 | 0 | 110.6 | Y635 N778 N782 | Y635-N780 PolarHBondContact OH-OD1 2.78Å; N778-N780 PolarHBondContact O-N 3.24Å; N780-N782 PolarHBondContact O-N 3.33Å | ||
| 781 | N | 29 | Very low | 47.2 | Very low | 141 Ų | 141 | 103.9 Ų | 103.9 | 75% | 0.754 | 58% | 0.577 | S | S | * | * | trans | -73.5 | 64.6 | 172.3 | -76.6 | -2.5 | 0 | 0 | 0 | 110.9 | K779 | K779-N781 PolarHBondContact O-N 3.42Š| ||
| 782 | N | 29.4 | Very low | 44.6 | Very low | 161 Ų | 161 | 110.6 Ų | 110.6 | 86% | 0.861 | 61% | 0.614 | S | S | * | * | trans | -153.4 | 57.3 | 171.3 | -111.2 | -25.9 | 0 | 0 | 0 | 112.4 | N780 | N780-N782 PolarHBondContact O-N 3.33Š| ||
| 783 | K | 34.6 | Very low | 42.2 | Very low | 207 Ų | 207 | 112.1 Ų | 112.1 | 90% | 0.9 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -133.5 | 119.9 | 153 | -81.1 | -168.9 | 173.2 | -178.9 | 0 | 107.9 | ||
| 784 | G | 28.1 | Very low | 39.8 | Very low | 87 Ų | 87 | 116.8 Ų | 116.8 | 90% | 0.897 | 65% | 0.652 | S | S | * | * | trans | -79.7 | 157.5 | -163.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 785 | S | 31.2 | Very low | 37.6 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | trans | -139.2 | 154 | 154.1 | -174.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 786 | N | 33.1 | Very low | 36.1 | Very low | 135 Ų | 135 | 124.4 Ų | 124.4 | 72% | 0.722 | 70% | 0.696 | S | S | * | * | trans | 89.9 | 70.2 | 171.2 | -49.9 | 1.3 | 0 | 0 | 0 | 116.7 | ||||
| 787 | N | 35.5 | Very low | 35.2 | Very low | 138 Ų | 138 | 128.6 Ų | 128.6 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | 30 | 132.2 | 114.1 | -53.7 | -4.1 | 0 | 0 | 0 | 119.8 | |||||
| 788 | N | 34.4 | Very low | 34.7 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 81% | 0.807 | 72% | 0.724 | S | S | * | * | trans | 65.3 | 125.1 | 147.7 | -53.7 | -2.4 | 0 | 0 | 0 | 116.8 | ||||
| 789 | S | 36.4 | Very low | 34.5 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | cis | -160.1 | 148.3 | 31 | -47.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 790 | N | 34.2 | Very low | 34.7 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | trans | 57.8 | 120.7 | 135.5 | -67.8 | 9.8 | 0 | 0 | 0 | 123.4 | ||||
| 791 | N | 35.9 | Very low | 35.1 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 67% | 0.674 | 73% | 0.727 | S | S | * | * | 104.8 | 89.2 | 129 | -66.6 | 3.4 | 0 | 0 | 0 | 121.3 | |||||
| 792 | N | 36 | Very low | 35.4 | Very low | 142 Ų | 142 | 127.7 Ų | 127.7 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | 85.5 | 139.6 | 117 | -69.4 | -1.6 | 0 | 0 | 0 | 122.2 | |||||
| 793 | S | 37.7 | Very low | 35.6 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | trans | 73 | 135 | 156.8 | -68.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 794 | N | 36.1 | Very low | 35.6 | Very low | 128 Ų | 128 | 122.5 Ų | 122.5 | 68% | 0.684 | 71% | 0.706 | S | S | * | * | cis | -167.6 | 151.3 | -20.1 | -122.4 | 6.9 | 0 | 0 | 0 | 109.2 | ||||
| 795 | N | 37.6 | Very low | 35.9 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 68% | 0.684 | 70% | 0.698 | S | S | * | * | trans | 65.5 | 146.2 | 153.6 | -59.5 | 5.7 | 0 | 0 | 0 | 117 | ||||
| 796 | N | 37.4 | Very low | 36 | Very low | 114 Ų | 114 | 122.3 Ų | 122.3 | 61% | 0.61 | 69% | 0.692 | S | S | * | * | cis | -163.9 | 171.3 | -13 | -128.6 | 32.4 | 0 | 0 | 0 | 110.3 | ||||
| 797 | D | 40.3 | Very low | 36 | Very low | 123 Ų | 123 | 122.8 Ų | 122.8 | 66% | 0.658 | 69% | 0.694 | S | S | * | * | trans | 67.6 | 135.9 | 149.3 | -62.4 | -33.2 | 0 | 0 | 0 | 120.1 | ||||
| 798 | N | 37.6 | Very low | 35.6 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 64% | 0.642 | 70% | 0.695 | S | S | * | * | cis | -165.2 | 168 | -20.5 | -137.2 | -40.2 | 0 | 0 | 0 | 112 | ||||
| 799 | N | 38 | Very low | 35.5 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | trans | 63.4 | 111.4 | 159.3 | -68.6 | -45.1 | 0 | 0 | 0 | 118.7 | ||||
| 800 | N | 36.2 | Very low | 35 | Very low | 135 Ų | 135 | 124.4 Ų | 124.4 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | 93.6 | 140.6 | 71 | -92.7 | -42.2 | 0 | 0 | 0 | 112.9 | |||||
| 801 | S | 38 | Very low | 34.7 | Very low | 86 Ų | 86 | 122.3 Ų | 122.3 | 60% | 0.601 | 70% | 0.697 | S | S | * | * | cis | -165.7 | 148.7 | 2.9 | 54.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 802 | N | 35.2 | Very low | 34.4 | Very low | 129 Ų | 129 | 123.1 Ų | 123.1 | 69% | 0.69 | 70% | 0.701 | S | S | * | * | trans | 63 | 146.6 | 137.9 | -63 | -9.8 | 0 | 0 | 0 | 120.9 | ||||
| 803 | N | 34.5 | Very low | 34 | Very low | 120 Ų | 120 | 121.3 Ų | 121.3 | 64% | 0.642 | 69% | 0.691 | S | S | * | * | cis | -163.6 | 164.8 | -13.2 | -115.7 | -19.8 | 0 | 0 | 0 | 113.1 | ||||
| 804 | N | 35.2 | Very low | 33.5 | Very low | 139 Ų | 139 | 123 Ų | 123 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | trans | 71.1 | 126.3 | 157.8 | -63.2 | -18.8 | 0 | 0 | 0 | 118.6 | ||||
| 805 | S | 32.9 | Very low | 33.1 | Very low | 104 Ų | 104 | 121.8 Ų | 121.8 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | cis | 90.1 | 131.6 | 43.4 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 806 | S | 33.8 | Very low | 32.7 | Very low | 87 Ų | 87 | 122.7 Ų | 122.7 | 61% | 0.608 | 70% | 0.699 | S | S | * | * | cis | -163.5 | 173.6 | 2.4 | 38.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 807 | N | 32.3 | Very low | 32.3 | Very low | 145 Ų | 145 | 123.8 Ų | 123.8 | 78% | 0.775 | 71% | 0.705 | S | S | * | * | trans | 64.5 | 114.1 | 159.4 | -55.7 | -23 | 0 | 0 | 0 | 117.4 | ||||
| 808 | N | 27.3 | Very low | 31.7 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | cis | 74.8 | 84.7 | 17.5 | -161 | 29.7 | 0 | 0 | 0 | 116.7 | ||||
| 809 | T | 32.6 | Very low | 31.2 | Very low | 143 Ų | 143 | 127.8 Ų | 127.8 | 88% | 0.877 | 71% | 0.713 | S | S | * | * | trans | -143.5 | 154.3 | 156.1 | 26.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 810 | N | 27.2 | Very low | 30.8 | Very low | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | trans | -102.4 | 171.9 | -165.5 | -81.9 | -55.6 | 0 | 0 | 0 | 114.8 | ||||
| 811 | S | 27.6 | Very low | 30.7 | Very low | 98 Ų | 98 | 130 Ų | 130 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | trans | 88 | 128.8 | 133.8 | 49.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 812 | N | 28.1 | Very low | 30.3 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | trans | 83.9 | 105.4 | 139.2 | -62.2 | -0.1 | 0 | 0 | 0 | 121.6 | ||||
| 813 | D | 28.8 | Very low | 30.4 | Very low | 105 Ų | 105 | 134 Ų | 134 | 56% | 0.561 | 74% | 0.739 | S | S | * | * | 60 | 151.9 | 123.2 | -89.5 | -46.3 | 0 | 0 | 0 | 123.3 | K701 | K701-D813 IonicContact NZ-OD1 3.71Å; K701-D813 PolarHBondContact NZ-OD1 3.17Å | |||
| 814 | N | 27.6 | Very low | 30.3 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 81.3 | 126 | 154.7 | -65.8 | -29.5 | 0 | 0 | 0 | 122 | ||||
| 815 | S | 27.6 | Very low | 30.2 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | 55.2 | 127.9 | 137 | 63.7 | 0 | 0 | 0 | 0 | 122.2 | N817 | S815-N817 PolarHBondContact O-N 3.02Š| ||
| 816 | N | 29.4 | Very low | 30.2 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | trans | 7.6 | 109.3 | 135.7 | -53.3 | -6.8 | 0 | 0 | 0 | 117.2 | ||||
| 817 | N | 28.2 | Very low | 30.4 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | 176.6 | 143.1 | 109.7 | -91.8 | -31.4 | 0 | 0 | 0 | 114.7 | S815 | S815-N817 PolarHBondContact O-N 3.02Š| |||
| 818 | Y | 27.4 | Very low | 30.4 | Very low | 196 Ų | 196 | 141.3 Ų | 141.3 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | 42.4 | 139.8 | 142.5 | -77.9 | -75.4 | 0 | 0 | 0 | 124.7 | ||||
| 819 | N | 28.1 | Very low | 30.9 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | trans | 82.2 | 93.8 | 139 | -70 | -24 | 0 | 0 | 0 | 122.1 | ||||
| 820 | K | 29 | Very low | 30.8 | Very low | 188 Ų | 188 | 140 Ų | 140 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | 59.6 | 104.3 | 98.7 | -166.8 | -174.6 | -173.7 | -174.9 | 0 | 118.9 | |||||
| 821 | S | 33.8 | Very low | 31.1 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | trans | -136.8 | 113.6 | 149.2 | 45 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 822 | N | 30.3 | Very low | 31.3 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | 76.3 | 104.6 | 86.5 | -79.2 | 7.1 | 0 | 0 | 0 | 114.4 | |||||
| 823 | N | 37.7 | Very low | 31.4 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 93% | 0.93 | 74% | 0.742 | S | S | * | * | trans | -145.7 | 133.3 | 138.7 | -109.3 | -30.3 | 0 | 0 | 0 | 108.3 | ||||
| 824 | N | 30.6 | Very low | 31.5 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | -105.8 | 145.2 | -170.9 | -68.6 | -29.2 | 0 | 0 | 0 | 111.4 | ||||
| 825 | R | 34.7 | Very low | 31.6 | Very low | 255 Ų | 255 | 138.7 Ų | 138.7 | 96% | 0.962 | 75% | 0.745 | S | S | * | * | trans | -151.4 | 143.6 | 134.8 | -111 | 167.9 | -172.2 | 173.6 | 2.4 | 109.6 | ||||
| 826 | S | 33.3 | Very low | 31.7 | Very low | 97 Ų | 97 | 141.6 Ų | 141.6 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | trans | -93.5 | 164.7 | -176.9 | 50.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 827 | D | 36.9 | Very low | 31.6 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | -168.1 | 170.8 | 100.8 | -86.5 | -8.1 | 0 | 0 | 0 | 110.7 | |||||
| 828 | S | 32.7 | Very low | 31.7 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | trans | -141 | 146.7 | -158.8 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 829 | T | 36.7 | Very low | 31.8 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | trans | 177 | 138 | 143.8 | 25.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 830 | N | 31.7 | Very low | 31.8 | Very low | 127 Ų | 127 | 136 Ų | 136 | 68% | 0.679 | 73% | 0.733 | S | S | * | * | 63.8 | 131.7 | 61.1 | -65.6 | 65.8 | 0 | 0 | 0 | 111.3 | |||||
| 831 | D | 32.2 | Very low | 31.8 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | cis | -164.5 | 177.2 | 3.8 | -133.4 | -30.7 | 0 | 0 | 0 | 114.4 | ||||
| 832 | N | 31.7 | Very low | 31.6 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 61% | 0.61 | 72% | 0.724 | S | S | * | * | trans | 59.5 | 103.3 | 144.6 | -76 | -51 | 0 | 0 | 0 | 122.2 | ||||
| 833 | N | 30.7 | Very low | 31.7 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | 76.1 | 133.1 | 110.6 | -88.9 | -40.8 | 0 | 0 | 0 | 123.4 | |||||
| 834 | S | 30.8 | Very low | 31.3 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | 78.4 | 157.5 | 140.7 | 92.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 835 | N | 29.8 | Very low | 31.4 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 66% | 0.658 | 71% | 0.714 | S | S | * | * | cis | -161.6 | 155.7 | -8 | -134.4 | -24.3 | 0 | 0 | 0 | 110.9 | ||||
| 836 | K | 29.7 | Very low | 31.2 | Very low | 165 Ų | 165 | 123.8 Ų | 123.8 | 72% | 0.717 | 70% | 0.702 | S | S | * | * | trans | 63.3 | 170 | 153.5 | -65.8 | 171.7 | -174.1 | 177.6 | 0 | 116.3 | ||||
| 837 | N | 28.4 | Very low | 31.4 | Very low | 128 Ų | 128 | 126 Ų | 126 | 68% | 0.684 | 71% | 0.707 | S | S | * | * | cis | -161.1 | -174.4 | -33.7 | -100.7 | -0.5 | 0 | 0 | 0 | 106.9 | ||||
| 838 | I | 29.8 | Very low | 31.1 | Very low | 152 Ų | 152 | 125 Ų | 125 | 78% | 0.779 | 70% | 0.701 | S | S | * | * | trans | 69.2 | 94.8 | 160.4 | -60.1 | 130.9 | 0 | 0 | 0 | 113.2 | ||||
| 839 | S | 29.2 | Very low | 31.3 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 61% | 0.608 | 71% | 0.705 | S | S | * | * | cis | 89.9 | 158.9 | 40.9 | 89.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 840 | N | 28.7 | Very low | 31 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 66% | 0.663 | 70% | 0.701 | S | S | * | * | trans | 80.6 | 98.8 | 159.1 | -65 | 11.9 | 0 | 0 | 0 | 119.6 | ||||
| 841 | N | 29.1 | Very low | 31.2 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 66% | 0.658 | 71% | 0.708 | S | S | * | * | 100.2 | 137 | 103.7 | -73.5 | -0.1 | 0 | 0 | 0 | 120.7 | |||||
| 842 | N | 29.7 | Very low | 31.1 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | trans | 73.9 | 147 | 138.3 | -69 | 8.2 | 0 | 0 | 0 | 118.9 | ||||
| 843 | S | 31.2 | Very low | 31.3 | Very low | 82 Ų | 82 | 126.8 Ų | 126.8 | 57% | 0.573 | 72% | 0.723 | S | S | * | * | cis | -172.9 | 149.2 | -13.6 | 46.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 844 | N | 29.4 | Very low | 31.3 | Very low | 155 Ų | 155 | 126.7 Ų | 126.7 | 83% | 0.829 | 72% | 0.722 | S | S | * | * | trans | 63.6 | 166.2 | 156 | -55 | -8.1 | 0 | 0 | 0 | 115.6 | ||||
| 845 | S | 32.7 | Very low | 31.3 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | cis | -140.8 | 148.9 | -2 | 9.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 846 | N | 31.2 | Very low | 31.7 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | -8.4 | 138.8 | 136.7 | -54.8 | -7.1 | 0 | 0 | 0 | 117.8 | ||||
| 847 | D | 36.2 | Very low | 31.8 | Very low | 144 Ų | 144 | 127 Ų | 127 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | -175 | 127.6 | 102.8 | -80.8 | -28.2 | 0 | 0 | 0 | 107.3 | |||||
| 848 | N | 31.5 | Very low | 32.2 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | 70.4 | 99 | 65.5 | -79.5 | -16.4 | 0 | 0 | 0 | 115 | |||||
| 849 | D | 36.2 | Very low | 32.5 | Very low | 146 Ų | 146 | 124.9 Ų | 124.9 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | 170.2 | 138.4 | 125.1 | -89 | -21.6 | 0 | 0 | 0 | 109.7 | |||||
| 850 | N | 30.6 | Very low | 32.8 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 69% | 0.69 | 73% | 0.733 | S | S | * | * | cis | 104.4 | 97.6 | 34 | -85.5 | -42.6 | 0 | 0 | 0 | 113.1 | ||||
| 851 | S | 35.9 | Very low | 33.1 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | 164.2 | 104.1 | 155.9 | 33.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 852 | N | 31.2 | Very low | 33.3 | Very low | 167 Ų | 167 | 127.2 Ų | 127.2 | 89% | 0.893 | 73% | 0.732 | S | S | * | * | cis | 77.1 | 114.7 | 35 | -124 | 10.9 | 0 | 0 | 0 | 114.4 | ||||
| 853 | G | 35 | Very low | 33.5 | Very low | 65 Ų | 65 | 126 Ų | 126 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | trans | 125.1 | 140.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 854 | N | 31.2 | Very low | 33.5 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | cis | -172 | 142.2 | -22.8 | -118.8 | -5 | 0 | 0 | 0 | 110.4 | ||||
| 855 | I | 31.3 | Very low | 33.6 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | trans | 57.7 | 146.3 | 138.3 | -59.7 | 168.9 | 0 | 0 | 0 | 118.1 | ||||
| 856 | S | 36.7 | Very low | 33.6 | Very low | 98 Ų | 98 | 127.1 Ų | 127.1 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | cis | -134.9 | 157 | 2.9 | 43.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 857 | N | 32.2 | Very low | 33.5 | Very low | 148 Ų | 148 | 127.3 Ų | 127.3 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | 66.3 | 102.3 | 50.8 | -86.4 | 17.2 | 0 | 0 | 0 | 115.9 | |||||
| 858 | D | 38 | Very low | 33.2 | Very low | 155 Ų | 155 | 126.1 Ų | 126.1 | 83% | 0.829 | 72% | 0.718 | S | S | * | * | 177.5 | 157.9 | 126.2 | -95.2 | -23.8 | 0 | 0 | 0 | 111.1 | |||||
| 859 | S | 35.1 | Very low | 33.2 | Very low | 81 Ų | 81 | 125.6 Ų | 125.6 | 57% | 0.566 | 72% | 0.715 | S | S | * | * | cis | -174.6 | 151.8 | -34.8 | -103.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 860 | N | 35.8 | Very low | 32.9 | Very low | 139 Ų | 139 | 125.4 Ų | 125.4 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | trans | 65.7 | 162.4 | 164.7 | -59.9 | -39.2 | 0 | 0 | 0 | 116.8 | ||||
| 861 | N | 35 | Very low | 32.8 | Very low | 126 Ų | 126 | 123.9 Ų | 123.9 | 67% | 0.674 | 71% | 0.714 | S | S | * | * | cis | -169.9 | 162.5 | -22.1 | -102.2 | -25.2 | 0 | 0 | 0 | 107.2 | ||||
| 862 | N | 32.9 | Very low | 32.6 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 63% | 0.631 | 71% | 0.713 | S | S | * | * | cis | -166.9 | 168.1 | -29.2 | -149.9 | -15.6 | 0 | 0 | 0 | 109.4 | ||||
| 863 | N | 33.4 | Very low | 32.6 | Very low | 115 Ų | 115 | 122 Ų | 122 | 62% | 0.615 | 70% | 0.7 | S | S | * | * | trans | 64.4 | 125.4 | 154.2 | -63 | -30.3 | 0 | 0 | 0 | 123 | ||||
| 864 | N | 33.2 | Very low | 32.7 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 80% | 0.802 | 71% | 0.706 | S | S | * | * | trans | 69.9 | 158.9 | 131.5 | -63.7 | -9.9 | 0 | 0 | 0 | 121.5 | ||||
| 865 | S | 30.6 | Very low | 32.8 | Very low | 86 Ų | 86 | 126 Ų | 126 | 60% | 0.601 | 71% | 0.706 | S | S | * | * | cis | -171.2 | 158.1 | -33.4 | -165.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 866 | N | 32.1 | Very low | 33.1 | Very low | 133 Ų | 133 | 126.2 Ų | 126.2 | 71% | 0.711 | 71% | 0.708 | S | S | * | * | trans | 59.8 | 112.2 | 157.2 | -68.5 | -16.8 | 0 | 0 | 0 | 120.8 | ||||
| 867 | N | 29.9 | Very low | 33.1 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | 65 | 139 | 116.3 | -70.1 | 15.9 | 0 | 0 | 0 | 124.1 | |||||
| 868 | N | 29.8 | Very low | 33.3 | Very low | 120 Ų | 120 | 125 Ų | 125 | 64% | 0.642 | 70% | 0.701 | S | S | * | * | trans | 83 | 119.6 | 143.8 | -77.9 | 52.1 | 0 | 0 | 0 | 121.4 | ||||
| 869 | D | 30.7 | Very low | 33.3 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 64% | 0.642 | 69% | 0.693 | S | S | * | * | 76.3 | 124.1 | 127.8 | -54.8 | -13 | 0 | 0 | 0 | 122.8 | |||||
| 870 | N | 29.8 | Very low | 33.2 | Very low | 142 Ų | 142 | 126 Ų | 126 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | trans | 75.9 | 111.5 | 135.3 | -67.7 | -21.3 | 0 | 0 | 0 | 121.9 | ||||
| 871 | S | 29.8 | Very low | 33.3 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | 100.1 | 122.7 | 109.9 | 76.3 | 0 | 0 | 0 | 0 | 122 | |||||
| 872 | I | 30.5 | Very low | 33.3 | Very low | 156 Ų | 156 | 126.8 Ų | 126.8 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | 84.9 | 144.1 | 125.3 | -72.7 | 170.3 | 0 | 0 | 0 | 120.4 | |||||
| 873 | S | 31.9 | Very low | 33.6 | Very low | 88 Ų | 88 | 124.7 Ų | 124.7 | 62% | 0.615 | 72% | 0.72 | S | S | * | * | trans | 77 | 143 | 165.9 | 73.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 874 | N | 36.9 | Very low | 33.5 | Very low | 152 Ų | 152 | 126.1 Ų | 126.1 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | cis | -133.2 | 170.2 | 40.1 | -91.1 | -66.7 | 0 | 0 | 0 | 117.5 | ||||
| 875 | N | 34.3 | Very low | 33.8 | Very low | 134 Ų | 134 | 126.8 Ų | 126.8 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | trans | -100.4 | 168.9 | -165.9 | -56.9 | -53.8 | 0 | 0 | 0 | 114.6 | ||||
| 876 | N | 37 | Very low | 34 | Very low | 154 Ų | 154 | 128.4 Ų | 128.4 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | 167.7 | 145.7 | 127.6 | -80.9 | -14.1 | 0 | 0 | 0 | 110 | |||||
| 877 | S | 36.7 | Very low | 34.2 | Very low | 86 Ų | 86 | 129 Ų | 129 | 60% | 0.601 | 74% | 0.737 | S | S | * | * | cis | -168.1 | 150.3 | -13.6 | -93.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 878 | N | 37 | Very low | 34.3 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | trans | 75.2 | 115.7 | 144.9 | -64.6 | 5.5 | 0 | 0 | 0 | 124 | ||||
| 879 | N | 36.7 | Very low | 34.5 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 66% | 0.658 | 73% | 0.734 | S | S | * | * | 88.1 | 108.5 | 120.9 | -63.3 | 0.5 | 0 | 0 | 0 | 123.4 | |||||
| 880 | N | 33.8 | Very low | 34.7 | Very low | 135 Ų | 135 | 127 Ų | 127 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | 48.3 | 120.3 | 116.7 | -49.5 | -5.4 | 0 | 0 | 0 | 120.5 | |||||
| 881 | N | 38.3 | Very low | 35 | Very low | 161 Ų | 161 | 126.6 Ų | 126.6 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | -167 | 164.5 | 89.8 | -106.9 | -15.6 | 0 | 0 | 0 | 113.7 | |||||
| 882 | S | 33.9 | Very low | 35.1 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | trans | -89.1 | 155 | 177.4 | 49.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 883 | G | 38.9 | Very low | 35.5 | Very low | 74 Ų | 74 | 129 Ų | 129 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | trans | -158.4 | 106.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 884 | N | 32.7 | Very low | 35.5 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | trans | -75.8 | 157.9 | 161.8 | -84.2 | -11.4 | 0 | 0 | 0 | 108.8 | ||||
| 885 | D | 39.2 | Very low | 35.6 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | -154.9 | 157.4 | 114.5 | -108 | -30.4 | 0 | 0 | 0 | 112.1 | |||||
| 886 | N | 33.4 | Very low | 35.5 | Very low | 121 Ų | 121 | 129 Ų | 129 | 65% | 0.647 | 74% | 0.738 | S | S | * | * | trans | -106.6 | 155.3 | -174.5 | -62.7 | -80.9 | 0 | 0 | 0 | 111.7 | ||||
| 887 | N | 36.8 | Very low | 35.3 | Very low | 146 Ų | 146 | 127.8 Ų | 127.8 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | trans | 152.8 | 118.4 | 133.2 | -74.2 | -20.8 | 0 | 0 | 0 | 107.8 | ||||
| 888 | S | 33.1 | Very low | 35.1 | Very low | 93 Ų | 93 | 130.5 Ų | 130.5 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | cis | 81.2 | 141.7 | 48.2 | 81.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 889 | N | 32.7 | Very low | 35.1 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | trans | 77.9 | 122.6 | 158.5 | -83.3 | 51.2 | 0 | 0 | 0 | 121.5 | ||||
| 890 | D | 36.1 | Very low | 34.9 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | 106.6 | 103.9 | 123.8 | -67.2 | -9.3 | 0 | 0 | 0 | 122 | |||||
| 891 | N | 35.6 | Very low | 35.1 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | 84 | 131.1 | 125.9 | -62.5 | -32.1 | 0 | 0 | 0 | 121.5 | |||||
| 892 | N | 32.1 | Very low | 35 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | -17.8 | 147 | 144.8 | -42.5 | -37.9 | 0 | 0 | 0 | 115.1 | ||||
| 893 | D | 38.5 | Very low | 34.9 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 89% | 0.893 | 74% | 0.739 | S | S | * | * | -149.7 | 165.8 | 105.3 | -110.1 | -27.8 | 0 | 0 | 0 | 112.3 | |||||
| 894 | S | 31.9 | Very low | 34.8 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | trans | -126.5 | 134.4 | -179.3 | -56.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 895 | D | 37.9 | Very low | 34.8 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 81% | 0.807 | 74% | 0.744 | S | S | * | * | trans | 175.5 | 160.8 | 155.6 | -95.6 | -20 | 0 | 0 | 0 | 107.9 | ||||
| 896 | N | 32.3 | Very low | 34.7 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 66% | 0.658 | 75% | 0.745 | S | S | * | * | cis | 167.8 | 164.7 | -33.9 | -111.4 | -39.9 | 0 | 0 | 0 | 105.6 | ||||
| 897 | N | 34.3 | Very low | 34.5 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | trans | 69.9 | 109.3 | 162.2 | -52 | -25.9 | 0 | 0 | 0 | 119.3 | ||||
| 898 | D | 32.9 | Very low | 34.5 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | 46.6 | 125.4 | 116.1 | -55.5 | -16.3 | 0 | 0 | 0 | 121.1 | |||||
| 899 | S | 36.8 | Very low | 34.3 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | -164.4 | 147.7 | 97.2 | -79.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 900 | N | 31.4 | Very low | 34.3 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -72.9 | 155.2 | 164.9 | -62.6 | -82.3 | 0 | 0 | 0 | 109.5 | ||||
| 901 | D | 39.3 | Very low | 34 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | -149.3 | 155.6 | 124 | -131.2 | -20.4 | 0 | 0 | 0 | 116.6 | |||||
| 902 | N | 34.7 | Very low | 33.9 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 60% | 0.599 | 78% | 0.782 | S | S | * | * | trans | -88.5 | 160.1 | -153.9 | -74.4 | -93.1 | 0 | 0 | 0 | 115.9 | ||||
| 903 | N | 33.3 | Very low | 33.7 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | 52.4 | 118.8 | 139.3 | -71.9 | -48.9 | 0 | 0 | 0 | 120.5 | ||||
| 904 | S | 36 | Very low | 33.3 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | -145.3 | 143.6 | 112.4 | 61.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 905 | K | 32.5 | Very low | 33.2 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | trans | -103.1 | 145.8 | 176 | -65.1 | 171.4 | 178.4 | 171.8 | 0 | 109.7 | ||||
| 906 | K | 36.6 | Very low | 32.7 | Very low | 209 Ų | 209 | 139.1 Ų | 139.1 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | -165.7 | 151.2 | 127.4 | -109.2 | 162.4 | -173.5 | 178.1 | 0 | 113.5 | |||||
| 907 | N | 30.8 | Very low | 32.7 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | -79 | 157.6 | -172.1 | -52.1 | -12.2 | 0 | 0 | 0 | 112 | ||||
| 908 | G | 35.1 | Very low | 32.5 | Very low | 74 Ų | 74 | 140.2 Ų | 140.2 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | -169.8 | 91.4 | 167 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 909 | N | 29.3 | Very low | 32.5 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -68.2 | 141.5 | 171.6 | -72.9 | -7.2 | 0 | 0 | 0 | 110.4 | ||||
| 910 | N | 33.2 | Very low | 32.8 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | -170.3 | 157 | 111.6 | -94.4 | -21.2 | 0 | 0 | 0 | 113.5 | |||||
| 911 | N | 29.1 | Very low | 33.7 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | -77.4 | 149.8 | -172 | -53.6 | -45.5 | 0 | 0 | 0 | 113.3 | ||||
| 912 | N | 33.4 | Very low | 34.2 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 85% | 0.85 | 74% | 0.743 | S | S | * | * | trans | 169 | 103.3 | 138.1 | -83.9 | -17.4 | 0 | 0 | 0 | 106.6 | ||||
| 913 | S | 27.6 | Very low | 35.5 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | 71.2 | 82.2 | 52.9 | -155.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 914 | S | 31.9 | Very low | 37.7 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | trans | -155.7 | 97.5 | 161.8 | 58.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 915 | N | 28.4 | Very low | 40 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | trans | 7.6 | 124.1 | 167.4 | -55.9 | 8.6 | 0 | 0 | 0 | 119.6 | ||||
| 916 | N | 29 | Very low | 42.8 | Very low | 147 Ų | 147 | 115.8 Ų | 115.8 | 79% | 0.786 | 65% | 0.652 | S | S | * | * | trans | -119.5 | 82.2 | 165 | -138.1 | 1 | 0 | 0 | 0 | 108.5 | N918 | N916-N918 PolarHBondContact O-N 3.34Š| ||
| 917 | D | 31.1 | Very low | 45.4 | Very low | 126 Ų | 126 | 107 Ų | 107 | 67% | 0.674 | 61% | 0.613 | S | S | * | * | trans | -76.2 | 65.2 | -173.4 | -65.9 | -42.1 | 0 | 0 | 0 | 112.8 | S919 | D917-S919 PolarHBondContact O-N 3.16Š| ||
| 918 | N | 30.7 | Very low | 48.2 | Very low | 149 Ų | 149 | 102 Ų | 102 | 80% | 0.797 | 59% | 0.586 | S | S | * | * | trans | -80.1 | 105.3 | 167.9 | -79.4 | -13.8 | 0 | 0 | 0 | 109.5 | N916 | N916-N918 PolarHBondContact O-N 3.34Š| ||
| 919 | S | 32.8 | Very low | 50.9 | Low | 86 Ų | 86 | 99.6 Ų | 99.6 | 60% | 0.601 | 55% | 0.554 | S | S | * | * | trans | -136.8 | 132.1 | 176.5 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | D917 N921 | D917-S919 PolarHBondContact O-N 3.16Å; S919-N921 PolarHBondContact O-N 3.1Å | ||
| 920 | N | 42.3 | Very low | 54 | Low | 151 Ų | 151 | 92.5 Ų | 92.5 | 81% | 0.807 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 74.4 | 14.3 | 153.8 | -52.9 | -5.1 | 0 | 0 | 0 | 120.4 | ||
| 921 | N | 51.3 | Low | 56.8 | Low | 39 Ų | 39 | 85.4 Ų | 85.4 | 21% | 0.209 | 48% | 0.479 | C | S | . | . | trans | -95.1 | -22.1 | 173.3 | -91.4 | 1.8 | 0 | 0 | 0 | 115.3 | S919 D923 N924 Y927 | S919-N921 PolarHBondContact O-N 3.1Å; N921-D923 PolarHBondContact O-N 3.23Å; N921-D923 VanDerWaalsContact O-N 3.07Å; N921-N924 PolarHBondContact O-N 3.47Å; N921-Y927 HydrophobicContact CB-CD1 4.48Å; N921-Y927 HydrophobicContact CB-CE1 4.25Å | ||
| 922 | D | 49 | Very low | 59.8 | Low | 139 Ų | 139 | 83 Ų | 83 | 74% | 0.743 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -4.8 | -166.5 | -57.1 | -29.5 | 0 | 0 | 0 | 115.3 | ||
| 923 | D | 63.1 | Low | 62.6 | Low | 135 Ų | 135 | 76.7 Ų | 76.7 | 72% | 0.722 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 7.9 | 176.9 | -93 | -48.9 | 0 | 0 | 0 | 113.4 | N777 N921 P925 | N777-D923 PolarHBondContact ND2-O 2.97Å; N921-D923 PolarHBondContact O-N 3.23Å; N921-D923 VanDerWaalsContact O-N 3.07Å; D923-P925 VanDerWaalsContact O-CD 3.29Å; D923-P925 WeakPolarHBondContact O-CD 3.32Å |
| 924 | N | 78.5 | Confident | 65.8 | Low | 3 Ų | 3 | 71.3 Ų | 71.3 | 2% | 0.016 | 40% | 0.395 | C | S | . | . | trans | -102.2 | 101.7 | -176.7 | 176.8 | 12.3 | 0 | 0 | 0 | 113.8 | Q641 N921 R926 Y927 D928 | Q641-N924 VanDerWaalsContact CD-ND2 3.26Å; Q641-N924 PolarHBondContact NE2-ND2 2.92Å; Q641-N924 VanDerWaalsContact NE2-ND2 3.13Å; Q641-N924 PolarHBondContact OE1-ND2 3.38Å; Q641-N924 VanDerWaalsContact OE1-ND2 3.11Å; Q641-N924 PolarHBondContact OE1-OD1 2.85Å; N921-N924 PolarHBondContact O-N 3.47Å; N924-R926 PolarHBondContact O-N 2.85Å; N924-R926 VanDerWaalsContact O-N 3.1Å; N924-R926 VanDerWaalsContact OD1-CB 3.31Å; N924-R926 WeakPolarHBondContact OD1-CB 3.33Å; N924-R926 PolarHBondContact OD1-N 3.47Å; N924-Y927 WeakPolarHBondContact ND2-CB 3.09Å; N924-Y927 PolarHBondContact ND2-N 3.35Å; N924-Y927 WeakPolarHBondContact O-CB 3.23Å; N924-Y927 PolarHBondContact O-N 3.11Å; N924-Y927 PolarHBondContact OD1-N 3.4Å; N924-D928 PolarHBondContact O-N 3.18Å | ||
| 925 | P | 85.5 | Confident | 68.8 | Low | 31 Ų | 31 | 66 Ų | 66 | 20% | 0.201 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.6 | -17.3 | -179.2 | 29.5 | -38.2 | 0 | 0 | 0 | 114.3 | I774 Q775 D923 D928 Y929 | I774-P925 HydrophobicContact CG2-CB 4.02Å; I774-P925 HydrophobicContact CG2-CG 4.15Å; Q775-P925 VanDerWaalsContact O-CG 3.22Å; Q775-P925 WeakPolarHBondContact O-CG 3.34Å; D923-P925 VanDerWaalsContact O-CD 3.29Å; D923-P925 WeakPolarHBondContact O-CD 3.32Å; P925-D928 WeakPolarHBondContact CA-OD2 3.16Å; P925-Y929 VanDerWaalsContact O-CB 3.31Å; P925-Y929 WeakPolarHBondContact O-CB 3.47Å; P925-Y929 PolarHBondContact O-N 2.85Å |
| 926 | R | 89.9 | Confident | 71.8 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -74 | -43.5 | 171.1 | -66.1 | 177 | 174.2 | 164.4 | -1 | 110.9 | D637 Q641 L646 I771 I774 N924 V930 | D637-R926 IonicContact OD2-CZ 3.74Å; D637-R926 IonicContact OD2-NH1 3.7Å; D637-R926 PolarHBondContact OD2-NH1 2.83Å; D637-R926 IonicContact OD2-NH2 3.65Å; Q641-R926 VanDerWaalsContact O-CD 3.3Å; Q641-R926 WeakPolarHBondContact O-CD 3.38Å; Q641-R926 PolarHBondContact O-NH1 3.39Å; L646-R926 HydrophobicContact CD1-CB 3.7Å; I771-R926 HydrophobicContact CG2-CB 3.9Å; I771-R926 HydrophobicContact CG2-CG 4.05Å; I774-R926 HydrophobicContact CB-CG 4.16Å; I774-R926 HydrophobicContact CG2-CG 4.05Å; I774-R926 PolarHBondContact O-NE 2.88Å; N924-R926 PolarHBondContact O-N 2.85Å; N924-R926 VanDerWaalsContact O-N 3.1Å; N924-R926 VanDerWaalsContact OD1-CB 3.31Å; N924-R926 WeakPolarHBondContact OD1-CB 3.33Å; N924-R926 PolarHBondContact OD1-N 3.47Å; R926-V930 WeakPolarHBondContact O-CG2 3.25Å; R926-V930 PolarHBondContact O-N 3.31Å |
| 927 | Y | 91.4 | Very high | 74.9 | Confident | 24 Ų | 24 | 59.4 Ų | 59.4 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 174.6 | 164.5 | -95 | 0 | 0 | 0 | 110.9 | N921 N924 Y929 V930 C931 F956 N957 L960 | N921-Y927 HydrophobicContact CB-CD1 4.48Å; N921-Y927 HydrophobicContact CB-CE1 4.25Å; N924-Y927 WeakPolarHBondContact ND2-CB 3.09Å; N924-Y927 PolarHBondContact ND2-N 3.35Å; N924-Y927 WeakPolarHBondContact O-CB 3.23Å; N924-Y927 PolarHBondContact O-N 3.11Å; N924-Y927 PolarHBondContact OD1-N 3.4Å; Y927-Y929 VanDerWaalsContact C-N 3.33Å; Y927-Y929 PolarHBondContact O-N 3.42Å; Y927-V930 PolarHBondContact O-N 3.37Å; Y927-V930 VanDerWaalsContact O-N 3.12Å; Y927-C931 WeakPolarHBondContact CE2-SG 3.38Å; Y927-C931 PolarHBondContact O-N 3.44Å; Y927-C931 PolarHBondContact O-SG 2.97Å; Y927-F956 HydrophobicContact CD2-CE1 4.04Å; Y927-F956 HydrophobicContact CE2-CD1 4.32Å; Y927-F956 HydrophobicContact CE2-CE1 4.24Å; Y927-N957 VanDerWaalsContact CE2-OD1 3.28Å; Y927-N957 WeakPolarHBondContact CE2-OD1 3.43Å; Y927-N957 PolarHBondContact OH-ND2 3.23Å; Y927-N957 PolarHBondContact OH-OD1 2.86Å; Y927-L960 HydrophobicContact CD2-CD1 4.04Å; Y927-L960 HydrophobicContact CE2-CD1 4.27Å |
| 928 | D | 89.7 | Confident | 77.9 | Confident | 57 Ų | 57 | 53.5 Ų | 53.5 | 31% | 0.305 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 176.7 | -62.6 | -37.4 | 0 | 0 | 0 | 112.2 | N924 P925 N932 | N924-D928 PolarHBondContact O-N 3.18Å; P925-D928 WeakPolarHBondContact CA-OD2 3.16Å; D928-N932 VanDerWaalsContact O-CB 3.27Å; D928-N932 WeakPolarHBondContact O-CB 3.36Å; D928-N932 PolarHBondContact O-N 2.98Å; D928-N932 PolarHBondContact O-ND2 2.74Å |
| 929 | Y | 92 | Very high | 80.9 | Confident | 23 Ų | 23 | 46.5 Ų | 46.5 | 9% | 0.09 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.3 | -36.7 | 176.6 | -174.4 | -99.3 | 0 | 0 | 0 | 111.8 | F689 C770 I774 P925 Y927 V933 I934 | F689-Y929 HydrophobicContact CD2-CE2 4.46Å; C770-Y929 HydrophobicContact CB-CE1 3.7Å; I774-Y929 HydrophobicContact CD1-CD1 3.57Å; I774-Y929 HydrophobicContact CD1-CD2 3.88Å; I774-Y929 HydrophobicContact CD1-CE1 4.22Å; I774-Y929 HydrophobicContact CD1-CE2 4.49Å; I774-Y929 HydrophobicContact CD1-CG 3.38Å; P925-Y929 VanDerWaalsContact O-CB 3.31Å; P925-Y929 WeakPolarHBondContact O-CB 3.47Å; P925-Y929 PolarHBondContact O-N 2.85Å; Y927-Y929 VanDerWaalsContact C-N 3.33Å; Y927-Y929 PolarHBondContact O-N 3.42Å; Y929-V933 HydrophobicContact CD2-CB 3.96Å; Y929-V933 HydrophobicContact CD2-CG1 4.46Å; Y929-V933 HydrophobicContact CD2-CG2 3.7Å; Y929-V933 HydrophobicContact CE2-CB 3.86Å; Y929-V933 HydrophobicContact CE2-CG1 3.85Å; Y929-V933 HydrophobicContact CE2-CG2 3.83Å; Y929-V933 HydrophobicContact CG-CB 4.41Å; Y929-V933 HydrophobicContact CG-CG2 4.45Å; Y929-V933 WeakPolarHBondContact O-CA 3.43Å; Y929-V933 VanDerWaalsContact O-CB 3.27Å; Y929-V933 WeakPolarHBondContact O-CB 3.43Å; Y929-V933 PolarHBondContact O-N 2.91Å; Y929-I934 HydrophobicContact CD1-CD1 3.54Å; Y929-I934 HydrophobicContact CD1-CG1 4.01Å; Y929-I934 HydrophobicContact CE1-CD1 3.58Å; Y929-I934 HydrophobicContact CE1-CG1 3.76Å; Y929-I934 PolarHBondContact O-N 3.48Å |
| 930 | V | 93.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -64.7 | -48 | 175.3 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | L646 A650 I771 R926 Y927 I934 I935 F956 | L646-V930 HydrophobicContact CB-CG2 4.06Å; L646-V930 HydrophobicContact CD1-CG2 4.49Å; L646-V930 HydrophobicContact CD2-CG2 4.44Å; A650-V930 HydrophobicContact CB-CG1 3.77Å; I771-V930 HydrophobicContact CD1-CG2 3.49Å; I771-V930 VanDerWaalsContact CD1-CG2 3.49Å; I771-V930 HydrophobicContact CG1-CG2 3.86Å; R926-V930 WeakPolarHBondContact O-CG2 3.25Å; R926-V930 PolarHBondContact O-N 3.31Å; Y927-V930 PolarHBondContact O-N 3.37Å; Y927-V930 VanDerWaalsContact O-N 3.12Å; V930-I934 HydrophobicContact CB-CD1 4.43Å; V930-I934 HydrophobicContact CG2-CD1 3.83Å; V930-I934 PolarHBondContact O-N 2.72Å; V930-I935 HydrophobicContact CG1-CD1 4.06Å; V930-I935 HydrophobicContact CG1-CG1 4.24Å; V930-I935 WeakPolarHBondContact O-CB 3.47Å; V930-I935 WeakPolarHBondContact O-CG1 3.33Å; V930-I935 PolarHBondContact O-N 3.06Å; V930-F956 HydrophobicContact CB-CE1 4.45Å; V930-F956 HydrophobicContact CB-CZ 4.44Å; V930-F956 HydrophobicContact CG1-CE1 3.67Å; V930-F956 HydrophobicContact CG1-CE2 4.21Å; V930-F956 HydrophobicContact CG1-CZ 3.47Å; V930-F956 VanDerWaalsContact CG1-CZ 3.47Å |
| 931 | C | 93.5 | Very high | 85.3 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.034 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -65.8 | -63.7 | 179 | -62.9 | 0 | 0 | 0 | 0 | 111 | Y927 V933 Y949 I953 | Y927-C931 WeakPolarHBondContact CE2-SG 3.38Å; Y927-C931 PolarHBondContact O-N 3.44Å; Y927-C931 PolarHBondContact O-SG 2.97Å; C931-V933 PolarHBondContact O-N 2.9Å; C931-Y949 WeakPolarHBondContact O-CE2 3.38Å; C931-Y949 PolarHBondContact O-OH 2.87Å; C931-I953 HydrophobicContact CB-CD1 3.53Å |
| 932 | N | 91 | Very high | 86.3 | Confident | 91 Ų | 91 | 44.7 Ų | 44.7 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | I | π-helix | trans | -76.4 | -21.4 | -166.9 | -61.6 | -68.6 | 0 | 0 | 0 | 114.1 | D928 K936 Y949 | D928-N932 VanDerWaalsContact O-CB 3.27Å; D928-N932 WeakPolarHBondContact O-CB 3.36Å; D928-N932 PolarHBondContact O-N 2.98Å; D928-N932 PolarHBondContact O-ND2 2.74Å; N932-K936 WeakPolarHBondContact O-CB 3.27Å; N932-K936 WeakPolarHBondContact O-CD 3.41Å; N932-Y949 PolarHBondContact OD1-OH 3.14Å |
| 933 | V | 92.4 | Very high | 87.1 | Confident | 28 Ų | 28 | 43.8 Ų | 43.8 | 17% | 0.17 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -115.9 | -55.9 | -178.3 | -171 | 0 | 0 | 0 | 0 | 112.6 | L685 Q688 Y929 C931 T937 | L685-V933 HydrophobicContact CD2-CG1 3.88Å; Q688-V933 VanDerWaalsContact OE1-CG1 3.25Å; Y929-V933 HydrophobicContact CD2-CB 3.96Å; Y929-V933 HydrophobicContact CD2-CG1 4.46Å; Y929-V933 HydrophobicContact CD2-CG2 3.7Å; Y929-V933 HydrophobicContact CE2-CB 3.86Å; Y929-V933 HydrophobicContact CE2-CG1 3.85Å; Y929-V933 HydrophobicContact CE2-CG2 3.83Å; Y929-V933 HydrophobicContact CG-CB 4.41Å; Y929-V933 HydrophobicContact CG-CG2 4.45Å; Y929-V933 WeakPolarHBondContact O-CA 3.43Å; Y929-V933 VanDerWaalsContact O-CB 3.27Å; Y929-V933 WeakPolarHBondContact O-CB 3.43Å; Y929-V933 PolarHBondContact O-N 2.91Å; C931-V933 PolarHBondContact O-N 2.9Å; V933-T937 WeakPolarHBondContact O-CB 3.41Å; V933-T937 PolarHBondContact O-N 3.22Å; V933-T937 PolarHBondContact O-OG1 3.17Å |
| 934 | I | 94.7 | Very high | 87.1 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -72.8 | -55 | -170.9 | -64.9 | 160.3 | 0 | 0 | 0 | 111.7 | L685 I767 I771 Y929 V930 K936 T937 L938 | L685-I934 HydrophobicContact CD1-CG1 4.39Å; L685-I934 HydrophobicContact CD1-CG2 4.48Å; L685-I934 HydrophobicContact CD2-CG1 4.28Å; I767-I934 HydrophobicContact CD1-CG2 3.9Å; I767-I934 HydrophobicContact CG1-CG2 4.37Å; I767-I934 HydrophobicContact CG2-CD1 3.85Å; I767-I934 HydrophobicContact CG2-CG1 4.43Å; I767-I934 HydrophobicContact CG2-CG2 3.95Å; I771-I934 HydrophobicContact CD1-CD1 3.71Å; I771-I934 HydrophobicContact CG1-CD1 3.46Å; I771-I934 VanDerWaalsContact CG1-CD1 3.46Å; Y929-I934 HydrophobicContact CD1-CD1 3.54Å; Y929-I934 HydrophobicContact CD1-CG1 4.01Å; Y929-I934 HydrophobicContact CE1-CD1 3.58Å; Y929-I934 HydrophobicContact CE1-CG1 3.76Å; Y929-I934 PolarHBondContact O-N 3.48Å; V930-I934 HydrophobicContact CB-CD1 4.43Å; V930-I934 HydrophobicContact CG2-CD1 3.83Å; V930-I934 PolarHBondContact O-N 2.72Å; I934-K936 VanDerWaalsContact C-N 3.29Å; I934-K936 PolarHBondContact O-N 2.91Å; I934-T937 PolarHBondContact O-N 2.99Å; I934-L938 HydrophobicContact CG2-CD1 3.84Å; I934-L938 HydrophobicContact CG2-CG 4.31Å; I934-L938 WeakPolarHBondContact O-CB 3.48Å; I934-L938 WeakPolarHBondContact O-CG 3.38Å; I934-L938 PolarHBondContact O-N 2.89Å |
| 935 | I | 94.9 | Very high | 86.5 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -59.4 | -44.8 | 178.6 | -71.4 | 174.3 | 0 | 0 | 0 | 109.5 | A650 V930 T937 L938 L939 Y949 A952 I953 F956 | A650-I935 HydrophobicContact CB-CD1 4.48Å; A650-I935 HydrophobicContact CB-CG1 4.12Å; V930-I935 HydrophobicContact CG1-CD1 4.06Å; V930-I935 HydrophobicContact CG1-CG1 4.24Å; V930-I935 WeakPolarHBondContact O-CB 3.47Å; V930-I935 WeakPolarHBondContact O-CG1 3.33Å; V930-I935 PolarHBondContact O-N 3.06Å; I935-T937 PolarHBondContact O-N 2.75Å; I935-L938 PolarHBondContact O-N 2.95Å; I935-L939 HydrophobicContact CG2-CD1 3.71Å; I935-L939 HydrophobicContact CG2-CG 4.4Å; I935-L939 WeakPolarHBondContact O-CB 3.47Å; I935-L939 VanDerWaalsContact O-CG 3.3Å; I935-L939 WeakPolarHBondContact O-CG 3.27Å; I935-L939 PolarHBondContact O-N 3.18Å; I935-Y949 HydrophobicContact CG2-CD2 4.14Å; I935-Y949 HydrophobicContact CG2-CE2 4.25Å; I935-A952 HydrophobicContact CG2-CB 3.7Å; I935-I953 HydrophobicContact CD1-CD1 4.01Å; I935-I953 HydrophobicContact CG2-CD1 4.33Å; I935-F956 HydrophobicContact CD1-CB 4.15Å; I935-F956 HydrophobicContact CD1-CD1 3.99Å; I935-F956 HydrophobicContact CD1-CD2 4.37Å; I935-F956 HydrophobicContact CD1-CE1 4.47Å; I935-F956 HydrophobicContact CD1-CG 3.93Å |
| 936 | K | 92.5 | Very high | 85.8 | Confident | 118 Ų | 118 | 49.2 Ų | 49.2 | 51% | 0.513 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.2 | -46.5 | 175 | -165.3 | 171.8 | -175.2 | 172.2 | 0 | 113 | N932 I934 N940 Y949 | N932-K936 WeakPolarHBondContact O-CB 3.27Å; N932-K936 WeakPolarHBondContact O-CD 3.41Å; I934-K936 VanDerWaalsContact C-N 3.29Å; I934-K936 PolarHBondContact O-N 2.91Å; K936-N940 WeakPolarHBondContact O-CB 3.27Å; K936-N940 PolarHBondContact O-N 2.79Å; K936-N940 VanDerWaalsContact O-N 3.09Å; K936-Y949 HydrophobicContact CB-CD2 4.3Å; K936-Y949 HydrophobicContact CB-CE2 3.94Å; K936-Y949 HydrophobicContact CG-CE2 4.46Å |
| 937 | T | 93.5 | Very high | 85.3 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 14% | 0.141 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.7 | -39.1 | 179.1 | -65.2 | 0 | 0 | 0 | 0 | 112.7 | C681 L685 V933 I934 I935 N940 | C681-T937 HydrophobicContact CB-CG2 4.14Å; C681-T937 PolarHBondContact SG-O 2.61Å; L685-T937 HydrophobicContact CD1-CG2 4.38Å; L685-T937 HydrophobicContact CD2-CG2 3.96Å; L685-T937 HydrophobicContact CG-CG2 3.92Å; V933-T937 WeakPolarHBondContact O-CB 3.41Å; V933-T937 PolarHBondContact O-N 3.22Å; V933-T937 PolarHBondContact O-OG1 3.17Å; I934-T937 PolarHBondContact O-N 2.99Å; I935-T937 PolarHBondContact O-N 2.75Å; T937-N940 PolarHBondContact O-N 2.88Å |
| 938 | L | 94.1 | Very high | 85.2 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 176.2 | -73.5 | 174.9 | 0 | 0 | 0 | 111.3 | C654 L658 H677 F678 C681 L763 I767 I934 I935 N940 | C654-L938 HydrophobicContact CB-CB 3.75Å; C654-L938 HydrophobicContact CB-CD1 3.85Å; C654-L938 HydrophobicContact CB-CG 4.42Å; L658-L938 WeakPolarHBondContact CD1-O 3.44Å; H677-L938 PolarHBondContact NE2-O 3.04Å; F678-L938 HydrophobicContact CD1-CD2 4.07Å; F678-L938 HydrophobicContact CE1-CD2 4.18Å; C681-L938 HydrophobicContact CB-CD2 4.11Å; L763-L938 HydrophobicContact CD1-CD2 4.15Å; L763-L938 HydrophobicContact CD2-CD2 4.2Å; I767-L938 HydrophobicContact CD1-CD1 4.01Å; I767-L938 HydrophobicContact CD1-CD2 4.21Å; I767-L938 HydrophobicContact CD1-CG 4.42Å; I934-L938 HydrophobicContact CG2-CD1 3.84Å; I934-L938 HydrophobicContact CG2-CG 4.31Å; I934-L938 WeakPolarHBondContact O-CB 3.48Å; I934-L938 WeakPolarHBondContact O-CG 3.38Å; I934-L938 PolarHBondContact O-N 2.89Å; I935-L938 PolarHBondContact O-N 2.95Å; L938-N940 VanDerWaalsContact C-N 3.27Å; L938-N940 PolarHBondContact O-N 3.35Å |
| 939 | L | 92.9 | Very high | 85.3 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -76.9 | -9.8 | 177.6 | -63.3 | 174 | 0 | 0 | 0 | 113.9 | C654 I657 L658 I935 Y941 S945 A952 | C654-L939 HydrophobicContact CB-CD2 4.27Å; I657-L939 HydrophobicContact CB-CD2 4.17Å; I657-L939 HydrophobicContact CG2-CD2 3.85Å; L658-L939 HydrophobicContact CD2-CD2 4.4Å; L658-L939 HydrophobicContact CG-CD2 4.21Å; I935-L939 HydrophobicContact CG2-CD1 3.71Å; I935-L939 HydrophobicContact CG2-CG 4.4Å; I935-L939 WeakPolarHBondContact O-CB 3.47Å; I935-L939 VanDerWaalsContact O-CG 3.3Å; I935-L939 WeakPolarHBondContact O-CG 3.27Å; I935-L939 PolarHBondContact O-N 3.18Å; L939-Y941 PolarHBondContact O-N 2.69Å; L939-S945 PolarHBondContact O-N 3.27Å; L939-A952 HydrophobicContact CD1-CB 3.54Å |
| 940 | N | 87.6 | Confident | 85.3 | Confident | 82 Ų | 82 | 60 Ų | 60 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | trans | -77.3 | 35.1 | 177.2 | -155.9 | 51 | 0 | 0 | 0 | 113.8 | K936 T937 L938 S945 | K936-N940 WeakPolarHBondContact O-CB 3.27Å; K936-N940 PolarHBondContact O-N 2.79Å; K936-N940 VanDerWaalsContact O-N 3.09Å; T937-N940 PolarHBondContact O-N 2.88Å; L938-N940 VanDerWaalsContact C-N 3.27Å; L938-N940 PolarHBondContact O-N 3.35Å; N940-S945 PolarHBondContact OD1-OG 2.86Å | ||
| 941 | Y | 79.7 | Confident | 85.2 | Confident | 38 Ų | 38 | 63.7 Ų | 63.7 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -77.3 | 136 | 159.3 | -170.2 | -125.6 | 0 | 0 | 0 | 108 | Y662 Y664 P673 H677 L939 N943 Y944 | Y662-Y941 HydrophobicContact CD1-CD1 4.01Å; Y662-Y941 HydrophobicContact CD1-CE1 4.04Å; Y662-Y941 AromaticContact CE1-CD1 3.28Å; Y662-Y941 HydrophobicContact CE1-CD1 3.28Å; Y662-Y941 AromaticContact CE1-CE1 3.68Å; Y662-Y941 HydrophobicContact CE1-CE1 3.68Å; Y662-Y941 HydrophobicContact CE1-CG 4.35Å; Y662-Y941 AromaticContact CZ-CD1 3.63Å; Y662-Y941 WeakPolarHBondContact OH-CB 3.43Å; Y662-Y941 PolarHBondContact OH-O 3.36Å; Y664-Y941 WeakPolarHBondContact OH-CE1 3.33Å; P673-Y941 VanDerWaalsContact CB-OH 3.32Å; P673-Y941 WeakPolarHBondContact CB-OH 3.45Å; H677-Y941 HydrophobicContact CB-CD2 3.82Å; H677-Y941 HydrophobicContact CB-CE2 4.25Å; H677-Y941 HydrophobicContact CB-CG 4.48Å; H677-Y941 PolarHBondContact CE1-N 2.85Å; H677-Y941 AromaticContact CG-CD2 3.61Å; H677-Y941 AromaticContact ND1-CD2 3.56Å; L939-Y941 PolarHBondContact O-N 2.69Å; Y941-N943 PolarHBondContact O-N 3.13Å; Y941-Y944 PolarHBondContact O-N 2.64Å |
| 942 | Q | 72.4 | Confident | 85.2 | Confident | 117 Ų | 117 | 63.5 Ų | 63.5 | 55% | 0.547 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 42.3 | 35.7 | 176.1 | -63.9 | -179.5 | -27.5 | 0 | 0 | 116 | Y662 Y944 | Y662-Q942 HydrophobicContact CE1-CB 4.3Å; Q942-Y944 VanDerWaalsContact C-N 3.25Å; Q942-Y944 HydrophobicContact CB-CD2 3.75Å; Q942-Y944 HydrophobicContact CB-CE2 3.74Å; Q942-Y944 VanDerWaalsContact O-CD2 3.31Å; Q942-Y944 WeakPolarHBondContact O-CD2 3.37Å; Q942-Y944 PolarHBondContact O-N 2.85Å |
| 943 | N | 65.4 | Low | 85.3 | Confident | 120 Ų | 120 | 60.5 Ų | 60.5 | 64% | 0.642 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 8.3 | -177.5 | -57.6 | -29.6 | 0 | 0 | 0 | 117.4 | Y941 S945 K946 | Y941-N943 PolarHBondContact O-N 3.13Å; N943-S945 PolarHBondContact O-N 3.49Å; N943-S945 VanDerWaalsContact O-N 3.08Å; N943-K946 PolarHBondContact O-N 3.49Å |
| 944 | Y | 64.7 | Low | 85.4 | Confident | 78 Ų | 78 | 62.9 Ų | 62.9 | 31% | 0.306 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -70.3 | -3.8 | -177.9 | -74.3 | -95.2 | 0 | 0 | 0 | 115.1 | Y662 Y941 Q942 K946 H947 Y948 | Y662-Y944 HydrophobicContact CD1-CD2 4.47Å; Y662-Y944 HydrophobicContact CD1-CE2 4.11Å; Y662-Y944 AromaticContact CE1-CD2 3.44Å; Y662-Y944 HydrophobicContact CE1-CD2 3.44Å; Y662-Y944 VanDerWaalsContact CE1-CD2 3.44Å; Y662-Y944 AromaticContact CE1-CE2 3.42Å; Y662-Y944 HydrophobicContact CE1-CE2 3.42Å; Y662-Y944 VanDerWaalsContact CE1-CE2 3.42Å; Y662-Y944 HydrophobicContact CE1-CG 4.21Å; Y662-Y944 HydrophobicContact CE2-CD2 4.24Å; Y662-Y944 HydrophobicContact CE2-CG 4.21Å; Y662-Y944 AromaticContact CZ-CD2 3.32Å; Y662-Y944 AromaticContact CZ-CE2 3.79Å; Y662-Y944 AromaticContact CZ-CG 3.69Å; Y662-Y944 WeakPolarHBondContact OH-CB 3.46Å; Y662-Y944 WeakPolarHBondContact OH-CD2 3.46Å; Y941-Y944 PolarHBondContact O-N 2.64Å; Q942-Y944 VanDerWaalsContact C-N 3.25Å; Q942-Y944 HydrophobicContact CB-CD2 3.75Å; Q942-Y944 HydrophobicContact CB-CE2 3.74Å; Q942-Y944 VanDerWaalsContact O-CD2 3.31Å; Q942-Y944 WeakPolarHBondContact O-CD2 3.37Å; Q942-Y944 PolarHBondContact O-N 2.85Å; Y944-K946 PolarHBondContact O-N 2.88Å; Y944-H947 PolarHBondContact O-N 3.27Å; Y944-Y948 HydrophobicContact CD1-CD2 4.24Å; Y944-Y948 AromaticContact CD1-CE2 3.68Å; Y944-Y948 HydrophobicContact CD1-CE2 3.68Å; Y944-Y948 HydrophobicContact CE1-CE2 4.34Å; Y944-Y948 HydrophobicContact CG-CE2 4.49Å; Y944-Y948 PolarHBondContact O-N 3.42Å |
| 945 | S | 65.7 | Low | 85.3 | Confident | 21 Ų | 21 | 63.6 Ų | 63.6 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -54.5 | -22.2 | 171.3 | 57 | 0 | 0 | 0 | 0 | 113.1 | L939 N940 N943 Y949 | L939-S945 PolarHBondContact O-N 3.27Å; N940-S945 PolarHBondContact OD1-OG 2.86Å; N943-S945 PolarHBondContact O-N 3.49Å; N943-S945 VanDerWaalsContact O-N 3.08Å; S945-Y949 VanDerWaalsContact O-CB 3.23Å; S945-Y949 WeakPolarHBondContact O-CB 3.25Å |
| 946 | K | 70.8 | Confident | 85.4 | Confident | 185 Ų | 185 | 63.5 Ų | 63.5 | 80% | 0.804 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -72.4 | -23.9 | 172.4 | -68.1 | -173.1 | 177.5 | -176.3 | 0 | 114.9 | N943 Y944 | N943-K946 PolarHBondContact O-N 3.49Å; Y944-K946 PolarHBondContact O-N 2.88Å |
| 947 | H | 79.5 | Confident | 85.4 | Confident | 130 Ų | 130 | 60.4 Ų | 60.4 | 60% | 0.602 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -51.5 | -172 | -64.4 | -72.8 | 0 | 0 | 0 | 112.3 | Y944 | Y944-H947 PolarHBondContact O-N 3.27Š|
| 948 | Y | 88.8 | Confident | 85.3 | Confident | 52 Ų | 52 | 62 Ų | 62 | 20% | 0.204 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -103.4 | 9.2 | -168.5 | -53.5 | -57.8 | 0 | 0 | 0 | 114.9 | I657 H661 Y944 A952 | I657-Y948 HydrophobicContact CG2-CD2 4.16Å; I657-Y948 HydrophobicContact CG2-CG 3.95Å; H661-Y948 HydrophobicContact CB-CD2 4.1Å; H661-Y948 HydrophobicContact CB-CE1 4.17Å; H661-Y948 HydrophobicContact CB-CE2 3.5Å; H661-Y948 VanDerWaalsContact CB-CE2 3.5Å; H661-Y948 AromaticContact CE1-CE1 3.91Å; H661-Y948 AromaticContact CG-CE1 3.81Å; H661-Y948 AromaticContact CG-CZ 3.69Å; H661-Y948 AromaticContact ND1-CD1 3.91Å; H661-Y948 AromaticContact ND1-CE1 3.24Å; H661-Y948 WeakPolarHBondContact ND1-CE1 3.26Å; H661-Y948 AromaticContact ND1-CZ 3.41Å; H661-Y948 PolarHBondContact ND1-OH 2.93Å; Y944-Y948 HydrophobicContact CD1-CD2 4.24Å; Y944-Y948 AromaticContact CD1-CE2 3.68Å; Y944-Y948 HydrophobicContact CD1-CE2 3.68Å; Y944-Y948 HydrophobicContact CE1-CE2 4.34Å; Y944-Y948 HydrophobicContact CG-CE2 4.49Å; Y944-Y948 PolarHBondContact O-N 3.42Å; Y948-A952 WeakPolarHBondContact O-CB 3.35Å; Y948-A952 PolarHBondContact O-N 3.44Å |
| 949 | Y | 91.4 | Very high | 85.2 | Confident | 46 Ų | 46 | 62 Ų | 62 | 18% | 0.18 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.4 | -46.7 | 178.1 | 178.2 | -99 | 0 | 0 | 0 | 111.9 | C931 N932 I935 K936 S945 D951 A952 I953 | C931-Y949 WeakPolarHBondContact O-CE2 3.38Å; C931-Y949 PolarHBondContact O-OH 2.87Å; N932-Y949 PolarHBondContact OD1-OH 3.14Å; I935-Y949 HydrophobicContact CG2-CD2 4.14Å; I935-Y949 HydrophobicContact CG2-CE2 4.25Å; K936-Y949 HydrophobicContact CB-CD2 4.3Å; K936-Y949 HydrophobicContact CB-CE2 3.94Å; K936-Y949 HydrophobicContact CG-CE2 4.46Å; S945-Y949 VanDerWaalsContact O-CB 3.23Å; S945-Y949 WeakPolarHBondContact O-CB 3.25Å; Y949-D951 VanDerWaalsContact C-N 3.33Å; Y949-D951 PolarHBondContact O-N 3.11Å; Y949-A952 WeakPolarHBondContact O-CB 3.48Å; Y949-A952 PolarHBondContact O-N 3.33Å; Y949-I953 HydrophobicContact CD1-CG1 4.2Å; Y949-I953 HydrophobicContact CE1-CD1 4.46Å; Y949-I953 HydrophobicContact CE1-CG1 3.87Å; Y949-I953 HydrophobicContact CE2-CD1 4.19Å; Y949-I953 HydrophobicContact CE2-CG1 4.23Å; Y949-I953 WeakPolarHBondContact O-CG1 3.33Å; Y949-I953 PolarHBondContact O-N 2.93Å |
| 950 | N | 92 | Very high | 85.2 | Confident | 121 Ų | 121 | 62 Ų | 62 | 65% | 0.647 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.8 | -41 | 179.9 | -65.6 | -8.7 | 0 | 0 | 0 | 111.5 | A952 I953 S954 | N950-A952 VanDerWaalsContact C-N 3.34Å; N950-A952 PolarHBondContact O-N 3.26Å; N950-I953 PolarHBondContact O-N 3.49Å; N950-S954 WeakPolarHBondContact O-CB 3.29Å; N950-S954 PolarHBondContact O-N 3.35Å |
| 951 | D | 90.8 | Very high | 85.3 | Confident | 77 Ų | 77 | 64.6 Ų | 64.6 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 175 | -58.6 | -17.6 | 0 | 0 | 0 | 111.3 | Y949 S954 L955 | Y949-D951 VanDerWaalsContact C-N 3.33Å; Y949-D951 PolarHBondContact O-N 3.11Å; D951-S954 PolarHBondContact O-N 3.05Å; D951-L955 WeakPolarHBondContact O-CB 3.34Å; D951-L955 VanDerWaalsContact O-CG 3.27Å; D951-L955 WeakPolarHBondContact O-CG 3.45Å; D951-L955 PolarHBondContact O-N 3.41Å |
| 952 | A | 93.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I653 I657 I935 L939 Y948 Y949 N950 S954 F956 | I653-A952 HydrophobicContact CG2-CB 4.33Å; I657-A952 HydrophobicContact CD1-CB 3.44Å; I657-A952 VanDerWaalsContact CD1-CB 3.44Å; I935-A952 HydrophobicContact CG2-CB 3.7Å; L939-A952 HydrophobicContact CD1-CB 3.54Å; Y948-A952 WeakPolarHBondContact O-CB 3.35Å; Y948-A952 PolarHBondContact O-N 3.44Å; Y949-A952 WeakPolarHBondContact O-CB 3.48Å; Y949-A952 PolarHBondContact O-N 3.33Å; N950-A952 VanDerWaalsContact C-N 3.34Å; N950-A952 PolarHBondContact O-N 3.26Å; A952-S954 VanDerWaalsContact C-N 3.35Å; A952-F956 WeakPolarHBondContact O-CB 3.37Å; A952-F956 PolarHBondContact O-N 2.7Å |
| 953 | I | 94.6 | Very high | 86.4 | Confident | 29 Ų | 29 | 58.2 Ų | 58.2 | 15% | 0.149 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 174.7 | -62.7 | -61.9 | 0 | 0 | 0 | 110.5 | C931 I935 Y949 N950 F956 N957 | C931-I953 HydrophobicContact CB-CD1 3.53Å; I935-I953 HydrophobicContact CD1-CD1 4.01Å; I935-I953 HydrophobicContact CG2-CD1 4.33Å; Y949-I953 HydrophobicContact CD1-CG1 4.2Å; Y949-I953 HydrophobicContact CE1-CD1 4.46Å; Y949-I953 HydrophobicContact CE1-CG1 3.87Å; Y949-I953 HydrophobicContact CE2-CD1 4.19Å; Y949-I953 HydrophobicContact CE2-CG1 4.23Å; Y949-I953 WeakPolarHBondContact O-CG1 3.33Å; Y949-I953 PolarHBondContact O-N 2.93Å; N950-I953 PolarHBondContact O-N 3.49Å; I953-F956 PolarHBondContact O-N 3.04Å; I953-N957 WeakPolarHBondContact O-CB 3.39Å; I953-N957 PolarHBondContact O-N 2.92Å |
| 954 | S | 93.2 | Very high | 87.4 | Confident | 78 Ų | 78 | 53 Ų | 53 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.3 | -51.3 | 176.3 | -172.2 | 0 | 0 | 0 | 0 | 112 | N950 D951 A952 F956 N957 Q958 | N950-S954 WeakPolarHBondContact O-CB 3.29Å; N950-S954 PolarHBondContact O-N 3.35Å; D951-S954 PolarHBondContact O-N 3.05Å; A952-S954 VanDerWaalsContact C-N 3.35Å; S954-F956 VanDerWaalsContact C-N 3.31Å; S954-F956 PolarHBondContact O-N 3.48Å; S954-N957 PolarHBondContact O-N 2.85Å; S954-Q958 WeakPolarHBondContact O-CB 3.41Å; S954-Q958 PolarHBondContact O-N 2.67Å |
| 955 | L | 94 | Very high | 88.2 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.2 | -36.8 | 176.2 | -68.8 | 169.1 | 0 | 0 | 0 | 112.2 | N605 W607 L608 I653 I657 D951 Q958 Y959 | N605-L955 HydrophobicContact CB-CD2 4.01Å; N605-L955 VanDerWaalsContact CG-CD2 3.44Å; N605-L955 WeakPolarHBondContact ND2-CD2 3.01Å; W607-L955 HydrophobicContact CZ2-CD1 4.48Å; W607-L955 HydrophobicContact CZ2-CD2 4.4Å; L608-L955 HydrophobicContact CD1-CD2 3.83Å; I653-L955 HydrophobicContact CD1-CB 4.22Å; I653-L955 HydrophobicContact CG1-CB 4.39Å; I653-L955 HydrophobicContact CG2-CB 3.77Å; I653-L955 HydrophobicContact CG2-CD1 4.13Å; I657-L955 HydrophobicContact CD1-CD1 4.16Å; I657-L955 HydrophobicContact CG1-CD1 4.34Å; D951-L955 WeakPolarHBondContact O-CB 3.34Å; D951-L955 VanDerWaalsContact O-CG 3.27Å; D951-L955 WeakPolarHBondContact O-CG 3.45Å; D951-L955 PolarHBondContact O-N 3.41Å; L955-Q958 PolarHBondContact O-N 3.24Å; L955-Y959 WeakPolarHBondContact O-CB 3.44Å; L955-Y959 PolarHBondContact O-N 3.36Å |
| 956 | F | 95.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69 | -41.8 | 178.6 | -173.2 | -115.1 | 0 | 0 | 0 | 111.6 | L646 A650 I653 Y927 V930 I935 A952 I953 S954 Y959 L960 | L646-F956 HydrophobicContact CD2-CE1 4.12Å; L646-F956 HydrophobicContact CD2-CZ 3.6Å; A650-F956 HydrophobicContact CB-CE2 4.09Å; I653-F956 HydrophobicContact CD1-CB 4.13Å; I653-F956 HydrophobicContact CD1-CD2 4.17Å; Y927-F956 HydrophobicContact CD2-CE1 4.04Å; Y927-F956 HydrophobicContact CE2-CD1 4.32Å; Y927-F956 HydrophobicContact CE2-CE1 4.24Å; V930-F956 HydrophobicContact CB-CE1 4.45Å; V930-F956 HydrophobicContact CB-CZ 4.44Å; V930-F956 HydrophobicContact CG1-CE1 3.67Å; V930-F956 HydrophobicContact CG1-CE2 4.21Å; V930-F956 HydrophobicContact CG1-CZ 3.47Å; V930-F956 VanDerWaalsContact CG1-CZ 3.47Å; I935-F956 HydrophobicContact CD1-CB 4.15Å; I935-F956 HydrophobicContact CD1-CD1 3.99Å; I935-F956 HydrophobicContact CD1-CD2 4.37Å; I935-F956 HydrophobicContact CD1-CE1 4.47Å; I935-F956 HydrophobicContact CD1-CG 3.93Å; A952-F956 WeakPolarHBondContact O-CB 3.37Å; A952-F956 PolarHBondContact O-N 2.7Å; I953-F956 PolarHBondContact O-N 3.04Å; S954-F956 VanDerWaalsContact C-N 3.31Å; S954-F956 PolarHBondContact O-N 3.48Å; F956-Y959 HydrophobicContact CD2-CD1 4.04Å; F956-Y959 HydrophobicContact CE2-CD1 4.13Å; F956-Y959 HydrophobicContact CE2-CE1 4.22Å; F956-Y959 WeakPolarHBondContact O-CB 3.36Å; F956-Y959 PolarHBondContact O-N 2.99Å; F956-L960 HydrophobicContact CD1-CD1 4.14Å; F956-L960 HydrophobicContact CE1-CD1 3.73Å; F956-L960 HydrophobicContact CE1-CG 4.41Å; F956-L960 HydrophobicContact CZ-CD1 4.05Å; F956-L960 HydrophobicContact CZ-CG 4.41Å; F956-L960 WeakPolarHBondContact O-CG 3.14Å; F956-L960 PolarHBondContact O-N 3.35Å |
| 957 | N | 93.2 | Very high | 89 | Confident | 52 Ų | 52 | 44.1 Ų | 44.1 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.6 | -35.6 | 173.8 | -73 | -15.4 | 0 | 0 | 0 | 112.1 | Y927 I953 S954 L960 K961 | Y927-N957 VanDerWaalsContact CE2-OD1 3.28Å; Y927-N957 WeakPolarHBondContact CE2-OD1 3.43Å; Y927-N957 PolarHBondContact OH-ND2 3.23Å; Y927-N957 PolarHBondContact OH-OD1 2.86Å; I953-N957 WeakPolarHBondContact O-CB 3.39Å; I953-N957 PolarHBondContact O-N 2.92Å; S954-N957 PolarHBondContact O-N 2.85Å; N957-L960 PolarHBondContact O-N 2.88Å; N957-K961 VanDerWaalsContact O-CB 3.27Å; N957-K961 WeakPolarHBondContact O-CB 3.04Å; N957-K961 PolarHBondContact O-N 2.98Å |
| 958 | Q | 91.4 | Very high | 88.3 | Confident | 57 Ų | 57 | 44.7 Ų | 44.7 | 27% | 0.266 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 170.7 | -169.6 | 178.3 | 8.6 | 0 | 0 | 111.2 | N603 L608 S954 L955 L960 K961 I962 | N603-Q958 PolarHBondContact ND2-NE2 2.86Å; L608-Q958 HydrophobicContact CD1-CB 3.99Å; L608-Q958 HydrophobicContact CD1-CG 3.89Å; L608-Q958 VanDerWaalsContact CD1-OE1 3.28Å; S954-Q958 WeakPolarHBondContact O-CB 3.41Å; S954-Q958 PolarHBondContact O-N 2.67Å; L955-Q958 PolarHBondContact O-N 3.24Å; Q958-L960 PolarHBondContact O-N 3.41Å; Q958-K961 PolarHBondContact O-N 3.18Å; Q958-I962 HydrophobicContact CG-CD1 3.92Å; Q958-I962 WeakPolarHBondContact O-CD1 3.28Å; Q958-I962 VanDerWaalsContact O-CG1 3.25Å; Q958-I962 WeakPolarHBondContact O-CG1 3.4Å; Q958-I962 PolarHBondContact O-N 3.37Å |
| 959 | Y | 93 | Very high | 86.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58 | -45 | 174.5 | 157.2 | -105.2 | 0 | 0 | 0 | 113.2 | I611 A612 N615 S645 G649 I653 L955 F956 S963 | I611-Y959 HydrophobicContact CB-CD2 4.44Å; I611-Y959 HydrophobicContact CB-CE2 4.48Å; I611-Y959 HydrophobicContact CG2-CD2 3.92Å; I611-Y959 HydrophobicContact CG2-CE2 3.64Å; A612-Y959 HydrophobicContact CB-CD2 4.15Å; A612-Y959 HydrophobicContact CB-CE2 4.48Å; N615-Y959 HydrophobicContact CB-CE2 4.18Å; N615-Y959 VanDerWaalsContact CG-OH 3.23Å; N615-Y959 PolarHBondContact ND2-OH 3.4Å; S645-Y959 WeakPolarHBondContact O-CE1 3.37Å; S645-Y959 PolarHBondContact O-OH 2.88Å; S645-Y959 PolarHBondContact OG-OH 3.34Å; G649-Y959 VanDerWaalsContact CA-CE1 3.47Å; I653-Y959 HydrophobicContact CD1-CG 4.48Å; L955-Y959 WeakPolarHBondContact O-CB 3.44Å; L955-Y959 PolarHBondContact O-N 3.36Å; F956-Y959 HydrophobicContact CD2-CD1 4.04Å; F956-Y959 HydrophobicContact CE2-CD1 4.13Å; F956-Y959 HydrophobicContact CE2-CE1 4.22Å; F956-Y959 WeakPolarHBondContact O-CB 3.36Å; F956-Y959 PolarHBondContact O-N 2.99Å; Y959-S963 VanDerWaalsContact O-CB 3.29Å; Y959-S963 WeakPolarHBondContact O-CB 3.02Å; Y959-S963 PolarHBondContact O-N 3.42Å; Y959-S963 PolarHBondContact O-OG 3.39Å |
| 960 | L | 92.1 | Very high | 84.7 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.4 | -39 | 178 | -68.3 | -175.9 | 0 | 0 | 0 | 112 | T640 L646 Y927 F956 N957 Q958 S963 S964 | T640-L960 HydrophobicContact CG2-CB 4.48Å; L646-L960 HydrophobicContact CD2-CD1 4.29Å; Y927-L960 HydrophobicContact CD2-CD1 4.04Å; Y927-L960 HydrophobicContact CE2-CD1 4.27Å; F956-L960 HydrophobicContact CD1-CD1 4.14Å; F956-L960 HydrophobicContact CE1-CD1 3.73Å; F956-L960 HydrophobicContact CE1-CG 4.41Å; F956-L960 HydrophobicContact CZ-CD1 4.05Å; F956-L960 HydrophobicContact CZ-CG 4.41Å; F956-L960 WeakPolarHBondContact O-CG 3.14Å; F956-L960 PolarHBondContact O-N 3.35Å; N957-L960 PolarHBondContact O-N 2.88Å; Q958-L960 PolarHBondContact O-N 3.41Å; L960-S963 PolarHBondContact O-N 2.96Å; L960-S964 WeakPolarHBondContact O-CB 3.43Å; L960-S964 PolarHBondContact O-N 3.26Å |
| 961 | K | 89.2 | Confident | 82.1 | Confident | 137 Ų | 137 | 42.8 Ų | 42.8 | 60% | 0.596 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -62.6 | -48.1 | 175.1 | -175.5 | 171.4 | -179.9 | 172.8 | 0 | 111.5 | N957 Q958 S964 N965 | N957-K961 VanDerWaalsContact O-CB 3.27Å; N957-K961 WeakPolarHBondContact O-CB 3.04Å; N957-K961 PolarHBondContact O-N 2.98Å; Q958-K961 PolarHBondContact O-N 3.18Å; K961-S964 PolarHBondContact O-N 2.67Å; K961-N965 WeakPolarHBondContact O-CB 3.2Å; K961-N965 VanDerWaalsContact O-CG 3.27Å; K961-N965 PolarHBondContact O-N 2.98Å; K961-N965 PolarHBondContact O-OD1 2.99Å |
| 962 | I | 87.2 | Confident | 79.9 | Confident | 21 Ų | 21 | 46.2 Ų | 46.2 | 11% | 0.108 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.4 | -47.7 | 175.2 | -62.4 | 161.3 | 0 | 0 | 0 | 109.9 | L608 I609 A612 Q958 S964 N965 Q966 | L608-I962 HydrophobicContact CB-CD1 4.22Å; I609-I962 HydrophobicContact CG1-CD1 3.97Å; I609-I962 HydrophobicContact CG1-CG2 4.38Å; A612-I962 HydrophobicContact CB-CB 3.95Å; A612-I962 HydrophobicContact CB-CG2 3.5Å; Q958-I962 HydrophobicContact CG-CD1 3.92Å; Q958-I962 WeakPolarHBondContact O-CD1 3.28Å; Q958-I962 VanDerWaalsContact O-CG1 3.25Å; Q958-I962 WeakPolarHBondContact O-CG1 3.4Å; Q958-I962 PolarHBondContact O-N 3.37Å; I962-S964 VanDerWaalsContact C-N 3.33Å; I962-S964 PolarHBondContact O-N 3.02Å; I962-N965 PolarHBondContact O-N 3.44Å; I962-Q966 HydrophobicContact CG2-CG 4.16Å; I962-Q966 WeakPolarHBondContact O-CB 3.46Å; I962-Q966 WeakPolarHBondContact O-CG 3.41Å; I962-Q966 PolarHBondContact O-N 3.5Å |
| 963 | S | 88.2 | Confident | 77.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -39.6 | 179.5 | -61.1 | 0 | 0 | 0 | 0 | 112.9 | A612 N615 V616 Y959 L960 | A612-S963 WeakPolarHBondContact CB-OG 3.28Å; N615-S963 PolarHBondContact ND2-OG 3.45Å; V616-S963 VanDerWaalsContact CG2-O 3.31Å; V616-S963 WeakPolarHBondContact CG2-O 3.36Å; Y959-S963 VanDerWaalsContact O-CB 3.29Å; Y959-S963 WeakPolarHBondContact O-CB 3.02Å; Y959-S963 PolarHBondContact O-N 3.42Å; Y959-S963 PolarHBondContact O-OG 3.39Å; L960-S963 PolarHBondContact O-N 2.96Å |
| 964 | S | 86.3 | Confident | 74 | Confident | 10 Ų | 10 | 61.4 Ų | 61.4 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.3 | -44.4 | 177.2 | -169.2 | 0 | 0 | 0 | 0 | 111.8 | L960 K961 I962 L967 K968 | L960-S964 WeakPolarHBondContact O-CB 3.43Å; L960-S964 PolarHBondContact O-N 3.26Å; K961-S964 PolarHBondContact O-N 2.67Å; I962-S964 VanDerWaalsContact C-N 3.33Å; I962-S964 PolarHBondContact O-N 3.02Å; S964-L967 PolarHBondContact O-N 2.99Å; S964-L967 VanDerWaalsContact O-N 3.17Å; S964-K968 WeakPolarHBondContact O-CG 3.23Å; S964-K968 PolarHBondContact O-N 3.33Å; S964-K968 VanDerWaalsContact OG-CE 3.26Å; S964-K968 WeakPolarHBondContact OG-CE 3.12Å; S964-K968 PolarHBondContact OG-NZ 3.48Å |
| 965 | N | 81.9 | Confident | 71 | Confident | 69 Ų | 69 | 60.7 Ų | 60.7 | 37% | 0.369 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 179 | -71.9 | 5.4 | 0 | 0 | 0 | 111.8 | K961 I962 L967 K968 | K961-N965 WeakPolarHBondContact O-CB 3.2Å; K961-N965 VanDerWaalsContact O-CG 3.27Å; K961-N965 PolarHBondContact O-N 2.98Å; K961-N965 PolarHBondContact O-OD1 2.99Å; I962-N965 PolarHBondContact O-N 3.44Å; N965-L967 PolarHBondContact O-N 2.94Å; N965-K968 PolarHBondContact O-N 3.47Å |
| 966 | Q | 77.5 | Confident | 68.5 | Low | 11 Ų | 11 | 63.4 Ų | 63.4 | 5% | 0.051 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.5 | -4.5 | 176.3 | -67.7 | -44.9 | -66.2 | 0 | 0 | 114.7 | D594 V616 I962 V970 | D594-Q966 VanDerWaalsContact C-NE2 3.33Å; D594-Q966 PolarHBondContact O-NE2 3.32Å; V616-Q966 HydrophobicContact CG1-CB 4.16Å; V616-Q966 HydrophobicContact CG2-CB 3.97Å; I962-Q966 HydrophobicContact CG2-CG 4.16Å; I962-Q966 WeakPolarHBondContact O-CB 3.46Å; I962-Q966 WeakPolarHBondContact O-CG 3.41Å; I962-Q966 PolarHBondContact O-N 3.5Å; Q966-V970 WeakPolarHBondContact O-CG2 3.36Å |
| 967 | L | 75.4 | Confident | 65.7 | Low | 19 Ų | 19 | 70.2 Ų | 70.2 | 10% | 0.099 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -106.6 | -38.5 | 174 | -171 | 65 | 0 | 0 | 0 | 112.4 | Y619 K620 I639 S964 N965 N969 | Y619-L967 HydrophobicContact CD1-CD1 3.93Å; Y619-L967 HydrophobicContact CD1-CD2 3.77Å; Y619-L967 HydrophobicContact CE1-CD1 4.32Å; Y619-L967 HydrophobicContact CE1-CD2 3.67Å; K620-L967 HydrophobicContact CG-CD1 4.21Å; I639-L967 HydrophobicContact CB-CD2 3.98Å; I639-L967 HydrophobicContact CD1-CD2 4.48Å; I639-L967 HydrophobicContact CG2-CD2 4Å; S964-L967 PolarHBondContact O-N 2.99Å; S964-L967 VanDerWaalsContact O-N 3.17Å; N965-L967 PolarHBondContact O-N 2.94Å; L967-N969 PolarHBondContact O-N 3.5Å |
| 968 | K | 65.5 | Low | 63 | Low | 141 Ų | 141 | 68.9 Ų | 68.9 | 61% | 0.613 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.4 | -43 | -175.8 | -80.8 | 166.1 | 174.9 | 158.4 | 0 | 114.1 | S964 N965 V970 | S964-K968 WeakPolarHBondContact O-CG 3.23Å; S964-K968 PolarHBondContact O-N 3.33Å; S964-K968 VanDerWaalsContact OG-CE 3.26Å; S964-K968 WeakPolarHBondContact OG-CE 3.12Å; S964-K968 PolarHBondContact OG-NZ 3.48Å; N965-K968 PolarHBondContact O-N 3.47Å; K968-V970 VanDerWaalsContact C-N 3.28Å; K968-V970 PolarHBondContact O-N 2.96Å |
| 969 | N | 53.5 | Low | 60.3 | Low | 100 Ų | 100 | 70 Ų | 70 | 54% | 0.535 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 7.6 | -168.9 | -62.3 | 1.1 | 0 | 0 | 0 | 112.9 | D594 L967 S971 | D594-N969 HydrophobicContact CB-CB 4.09Å; D594-N969 WeakPolarHBondContact OD2-CB 3.29Å; D594-N969 PolarHBondContact OD2-ND2 2.98Å; L967-N969 PolarHBondContact O-N 3.5Å; N969-S971 PolarHBondContact O-N 3.19Å |
| 970 | V | 50.1 | Low | 57.3 | Low | 23 Ų | 23 | 74.7 Ų | 74.7 | 14% | 0.139 | 37% | 0.372 | C | S | . | . | trans | -92.2 | 103.7 | -175.6 | -174.8 | 0 | 0 | 0 | 0 | 110 | N592 Q966 K968 Y972 | N592-V970 HydrophobicContact CB-CG1 4.35Å; Q966-V970 WeakPolarHBondContact O-CG2 3.36Å; K968-V970 VanDerWaalsContact C-N 3.28Å; K968-V970 PolarHBondContact O-N 2.96Å; V970-Y972 PolarHBondContact O-N 3.08Å | ||
| 971 | S | 38.5 | Very low | 54.8 | Low | 56 Ų | 56 | 76.7 Ų | 76.7 | 39% | 0.392 | 38% | 0.381 | S | S | . | . | trans | -64.4 | 106.4 | 179.7 | 60.4 | 0 | 0 | 0 | 0 | 112.4 | N969 Q973 Y974 | N969-S971 PolarHBondContact O-N 3.19Å; S971-Q973 PolarHBondContact O-N 3.45Å; S971-Y974 PolarHBondContact O-N 3.43Å | ||
| 972 | Y | 44.9 | Very low | 52 | Low | 149 Ų | 149 | 78.6 Ų | 78.6 | 58% | 0.584 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -9.5 | 175.5 | -71.2 | -87.9 | 0 | 0 | 0 | 115.2 | V970 Y974 | V970-Y972 PolarHBondContact O-N 3.08Å; Y972-Y974 CarbonylContact O-C 3.59Å; Y972-Y974 PolarHBondContact O-N 2.92Å |
| 973 | Q | 33.4 | Very low | 49.4 | Very low | 171 Ų | 171 | 81.1 Ų | 81.1 | 80% | 0.799 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.8 | 176.4 | -70.2 | -177.8 | -22.7 | 0 | 0 | 113.3 | S971 P975 | S971-Q973 PolarHBondContact O-N 3.45Å; Q973-P975 WeakPolarHBondContact O-CD 3.43Å |
| 974 | Y | 30.6 | Very low | 46.7 | Very low | 178 Ų | 178 | 84.9 Ų | 84.9 | 70% | 0.698 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -95.3 | 107.8 | 157.2 | -67.7 | -88 | 0 | 0 | 0 | 107.7 | S971 Y972 | S971-Y974 PolarHBondContact O-N 3.43Å; Y972-Y974 CarbonylContact O-C 3.59Å; Y972-Y974 PolarHBondContact O-N 2.92Å |
| 975 | P | 30.6 | Very low | 44.3 | Very low | 63 Ų | 63 | 86.5 Ų | 86.5 | 41% | 0.409 | 44% | 0.443 | S | S | . | . | trans | -57.7 | 174.7 | 151.8 | -13.7 | 28.7 | 0 | 0 | 0 | 108.5 | Q973 K977 | Q973-P975 WeakPolarHBondContact O-CD 3.43Å; P975-K977 HydrophobicContact CB-CG 4.15Å; P975-K977 HydrophobicContact CG-CD 4.22Å; P975-K977 HydrophobicContact CG-CG 4.01Å; P975-K977 PolarHBondContact O-N 3.13Å | ||
| 976 | I | 41.5 | Very low | 41.9 | Very low | 72 Ų | 72 | 89.1 Ų | 89.1 | 37% | 0.369 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -72.1 | 63.4 | 158 | -50.8 | 179.6 | 0 | 0 | 0 | 108.2 | Y508 P978 | Y508-I976 HydrophobicContact CD1-CG2 3.66Å; Y508-I976 HydrophobicContact CD2-CG2 3.59Å; Y508-I976 HydrophobicContact CE1-CG2 4.33Å; Y508-I976 HydrophobicContact CE2-CG2 4.27Å; Y508-I976 HydrophobicContact CG-CG2 3.24Å; I976-P978 WeakPolarHBondContact O-CD 3.37Å |
| 977 | K | 35.3 | Very low | 39.6 | Very low | 142 Ų | 142 | 92.6 Ų | 92.6 | 62% | 0.617 | 47% | 0.472 | S | S | * | . | trans | -75.4 | 110.5 | 163.2 | -83.1 | 174 | -176.1 | 160.4 | 0 | 104.7 | P975 | P975-K977 HydrophobicContact CB-CG 4.15Å; P975-K977 HydrophobicContact CG-CD 4.22Å; P975-K977 HydrophobicContact CG-CG 4.01Å; P975-K977 PolarHBondContact O-N 3.13Å | ||
| 978 | P | 36.6 | Very low | 37.3 | Very low | 24 Ų | 24 | 96.4 Ų | 96.4 | 16% | 0.156 | 50% | 0.496 | C | S | . | . | trans | -64.5 | 153.3 | 174.5 | -10.7 | 25.7 | 0 | 0 | 0 | 109.1 | Y508 I976 S980 M981 | Y508-P978 HydrophobicContact CD2-CB 4.35Å; I976-P978 WeakPolarHBondContact O-CD 3.37Å; P978-S980 PolarHBondContact O-N 3.36Å; P978-S980 VanDerWaalsContact O-N 3.14Å; P978-M981 HydrophobicContact CB-CB 3.79Å; P978-M981 HydrophobicContact CB-CG 3.71Å; P978-M981 HydrophobicContact CB-SD 3.39Å; P978-M981 WeakPolarHBondContact CB-SD 3.37Å; P978-M981 HydrophobicContact CG-CB 3.83Å; P978-M981 HydrophobicContact CG-CG 4.14Å; P978-M981 HydrophobicContact CG-SD 3.63Å; P978-M981 PolarHBondContact O-N 3.04Å; P978-M981 VanDerWaalsContact O-N 3.1Å | ||
| 979 | V | 35.4 | Very low | 35.5 | Very low | 81 Ų | 81 | 96.1 Ų | 96.1 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 123.1 | 179.5 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | E564 M981 | E564-V979 VanDerWaalsContact OE1-CB 3.3Å; E564-V979 WeakPolarHBondContact OE1-CB 3.48Å; E564-V979 VanDerWaalsContact OE1-CG1 3.25Å; E564-V979 WeakPolarHBondContact OE1-CG1 3.45Å; V979-M981 PolarHBondContact O-N 3.09Å |
| 980 | S | 30.3 | Very low | 34.2 | Very low | 99 Ų | 99 | 99.3 Ų | 99.3 | 69% | 0.692 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | -6.6 | -173.7 | 81.2 | 0 | 0 | 0 | 0 | 119.7 | P978 K982 | P978-S980 PolarHBondContact O-N 3.36Å; P978-S980 VanDerWaalsContact O-N 3.14Å; S980-K982 VanDerWaalsContact C-N 3.28Å; S980-K982 PolarHBondContact O-N 3.46Å |
| 981 | M | 38.1 | Very low | 33.1 | Very low | 45 Ų | 45 | 105.9 Ų | 105.9 | 22% | 0.222 | 54% | 0.544 | C | S | . | . | trans | -76.9 | 58.2 | -172 | -63.9 | -176.9 | 76.2 | 0 | 0 | 116 | V561 Y562 P978 V979 | V561-M981 HydrophobicContact CG1-CE 4.29Å; Y562-M981 HydrophobicContact CD2-CE 3.83Å; Y562-M981 HydrophobicContact CD2-CG 4.18Å; Y562-M981 HydrophobicContact CG-CE 4.42Å; P978-M981 HydrophobicContact CB-CB 3.79Å; P978-M981 HydrophobicContact CB-CG 3.71Å; P978-M981 HydrophobicContact CB-SD 3.39Å; P978-M981 WeakPolarHBondContact CB-SD 3.37Å; P978-M981 HydrophobicContact CG-CB 3.83Å; P978-M981 HydrophobicContact CG-CG 4.14Å; P978-M981 HydrophobicContact CG-SD 3.63Å; P978-M981 PolarHBondContact O-N 3.04Å; P978-M981 VanDerWaalsContact O-N 3.1Å; V979-M981 PolarHBondContact O-N 3.09Å | ||
| 982 | K | 31.8 | Very low | 32.6 | Very low | 177 Ų | 177 | 110.4 Ų | 110.4 | 77% | 0.77 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -102.9 | 129.5 | 142.3 | -89.9 | -166.8 | 171.5 | -168.4 | 0 | 107.3 | S980 | S980-K982 VanDerWaalsContact C-N 3.28Å; S980-K982 PolarHBondContact O-N 3.46Å |
| 983 | P | 31.4 | Very low | 31.6 | Very low | 74 Ų | 74 | 110.5 Ų | 110.5 | 48% | 0.481 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 137.4 | 162.3 | 27.3 | -32.7 | 0 | 0 | 0 | 108.2 | S985 | P983-S985 PolarHBondContact O-N 3.4Š|
| 984 | P | 31.7 | Very low | 31.5 | Very low | 78 Ų | 78 | 109 Ų | 109 | 51% | 0.506 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 130 | 162.1 | 29.5 | -32.8 | 0 | 0 | 0 | 106.5 | L401 | L401-P984 HydrophobicContact CD2-CB 4.32Š|
| 985 | S | 35.6 | Very low | 31.5 | Very low | 45 Ų | 45 | 107 Ų | 107 | 32% | 0.315 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -81.2 | 170.9 | -162.4 | -23.9 | 0 | 0 | 0 | 0 | 113.3 | S402 S403 P983 | S402-S985 CarbonylContact O-C 3.59Å; S402-S985 WeakPolarHBondContact O-CB 3.28Å; S403-S985 WeakPolarHBondContact CB-OG 3.38Å; S403-S985 WeakPolarHBondContact OG-CB 3.27Å; S403-S985 PolarHBondContact OG-OG 3.5Å; P983-S985 PolarHBondContact O-N 3.4Å |
| 986 | E | 31.5 | Very low | 31.6 | Very low | 124 Ų | 124 | 109.6 Ų | 109.6 | 58% | 0.579 | 58% | 0.583 | S | S | * | * | trans | -91.1 | 108.3 | -175.7 | -54.6 | 148.8 | 146.8 | 0 | 0 | 112.4 | S402 S403 S404 N405 V988 | S402-E986 CarbonylContact O-C 3.46Å; S402-E986 PolarHBondContact O-N 3.3Å; S402-E986 VanDerWaalsContact O-N 3.15Å; S403-E986 CarbonylContact C-O 3.55Å; S403-E986 WeakPolarHBondContact CA-O 3.24Å; S404-E986 VanDerWaalsContact C-OE2 3.27Å; S404-E986 PolarHBondContact N-O 3Å; N405-E986 PolarHBondContact N-OE2 3.44Å; E986-V988 PolarHBondContact O-N 3.09Å | ||
| 987 | N | 29.7 | Very low | 31.3 | Very low | 84 Ų | 84 | 112.5 Ų | 112.5 | 45% | 0.449 | 60% | 0.6 | S | S | . | * | trans | -90 | 89.7 | -174.5 | -119.7 | 3.4 | 0 | 0 | 0 | 111.2 | L401 S402 S403 I989 | L401-N987 PolarHBondContact O-ND2 3.26Å; S402-N987 WeakPolarHBondContact CA-OD1 3.45Å; S402-N987 VanDerWaalsContact N-CG 3.28Å; S402-N987 PolarHBondContact N-ND2 3.42Å; S402-N987 PolarHBondContact N-OD1 2.93Å; S402-N987 WeakPolarHBondContact O-CA 3.19Å; S402-N987 WeakPolarHBondContact O-CB 3.24Å; S402-N987 PolarHBondContact O-N 2.89Å; S402-N987 PolarHBondContact O-OD1 3.5Å; S402-N987 PolarHBondContact OG-ND2 3.15Å; S402-N987 PolarHBondContact OG-OD1 3.44Å; S403-N987 PolarHBondContact N-OD1 2.83Å; S403-N987 VanDerWaalsContact N-OD1 3.14Å; N987-I989 PolarHBondContact O-N 2.87Å | ||
| 988 | V | 26.6 | Very low | 31.3 | Very low | 98 Ų | 98 | 111.2 Ų | 111.2 | 59% | 0.594 | 60% | 0.6 | S | S | * | * | trans | -71.5 | 100.7 | 174.8 | 179.8 | 0 | 0 | 0 | 0 | 110 | S404 E986 | S404-V988 WeakPolarHBondContact OG-CG2 3.36Å; E986-V988 PolarHBondContact O-N 3.09Å | ||
| 989 | I | 28.5 | Very low | 31.2 | Very low | 135 Ų | 135 | 118 Ų | 118 | 69% | 0.692 | 63% | 0.627 | S | S | * | * | trans | -119.7 | 99.8 | 169.7 | -59.5 | -179.3 | 0 | 0 | 0 | 108.8 | N987 | N987-I989 PolarHBondContact O-N 2.87Š| ||
| 990 | H | 25.4 | Very low | 31.1 | Very low | 167 Ų | 167 | 120.7 Ų | 120.7 | 77% | 0.773 | 64% | 0.638 | S | S | * | * | trans | -63.5 | 139.7 | 153.5 | -77.7 | -85.9 | 0 | 0 | 0 | 109 | ||||
| 991 | I | 27.7 | Very low | 31.2 | Very low | 162 Ų | 162 | 122.8 Ų | 122.8 | 83% | 0.831 | 64% | 0.64 | S | S | * | * | trans | -164.9 | 154.4 | 131.9 | -102.1 | 151.3 | 0 | 0 | 0 | 110.6 | ||||
| 992 | N | 28.3 | Very low | 31 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 81% | 0.807 | 66% | 0.664 | S | S | * | * | trans | -64.1 | 159.7 | -165 | -56.2 | -44.6 | 0 | 0 | 0 | 115.8 | ||||
| 993 | N | 24.6 | Very low | 30.9 | Very low | 150 Ų | 150 | 126.8 Ų | 126.8 | 80% | 0.802 | 66% | 0.658 | S | S | * | * | trans | -43.2 | 142.3 | 156.9 | -57.2 | -16.6 | 0 | 0 | 0 | 112.5 | ||||
| 994 | N | 30.3 | Very low | 30.9 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | -170.4 | 138.4 | 120.3 | -93.6 | -20.5 | 0 | 0 | 0 | 109.9 | |||||
| 995 | N | 31.4 | Very low | 30.8 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 68% | 0.683 | S | S | * | * | trans | 52.3 | 128.8 | 140.7 | -54.8 | 1 | 0 | 0 | 0 | 118 | ||||
| 996 | N | 33 | Very low | 30.5 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | cis | -170.4 | 168.4 | 31.4 | -131.9 | 37.4 | 0 | 0 | 0 | 110.8 | ||||
| 997 | D | 34.3 | Very low | 30.4 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | trans | 61.4 | 134 | 150.2 | -53.3 | -26.6 | 0 | 0 | 0 | 120.1 | ||||
| 998 | D | 34.2 | Very low | 30.4 | Very low | 116 Ų | 116 | 139 Ų | 139 | 62% | 0.62 | 73% | 0.729 | S | S | * | * | cis | -167.3 | 159.5 | -12.8 | -164.7 | 7.6 | 0 | 0 | 0 | 110.1 | ||||
| 999 | K | 35 | Very low | 30.5 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | 63.5 | 142.1 | 164.5 | -70.7 | 162.8 | -177.1 | 102.3 | 0 | 119.6 | ||||
| 1000 | D | 32.9 | Very low | 30.6 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | cis | -165.7 | -178.8 | -19.8 | -149.9 | -34.5 | 0 | 0 | 0 | 109.5 | ||||
| 1001 | I | 32.6 | Very low | 30.8 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | trans | 79 | 80 | 168.9 | -43.5 | -174.4 | 0 | 0 | 0 | 117 | ||||
| 1002 | K | 33.6 | Very low | 31 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | 51 | 139.5 | 106.8 | -69.4 | -175.5 | 176.9 | -179.8 | 0 | 120.6 | |||||
| 1003 | Q | 30.8 | Very low | 31.1 | Very low | 142 Ų | 142 | 140 Ų | 140 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | cis | -165.7 | -178.8 | -6.5 | -134.5 | 177.1 | -93.9 | 0 | 0 | 112.1 | ||||
| 1004 | D | 32.4 | Very low | 31.4 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | trans | 79.2 | 73.5 | 156.3 | -60.2 | -10.1 | 0 | 0 | 0 | 119.6 | ||||
| 1005 | S | 28 | Very low | 31.3 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | trans | -72.6 | 150.9 | 150.3 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1006 | L | 30.9 | Very low | 31.4 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 90% | 0.895 | 73% | 0.731 | S | S | * | * | trans | -148.5 | 136.8 | 148.1 | -113.1 | 163.8 | 0 | 0 | 0 | 111.1 | ||||
| 1007 | S | 28.2 | Very low | 31.3 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | trans | -125.7 | -149.1 | -171.5 | 58.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1008 | I | 29.5 | Very low | 31.1 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | 77.1 | 136.1 | 162.5 | -66.9 | 156.2 | 0 | 0 | 0 | 115.8 | ||||
| 1009 | V | 29.6 | Very low | 30.9 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 70% | 0.697 | 75% | 0.752 | S | S | * | * | cis | -157.8 | 152.8 | -11.2 | 121.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1010 | T | 29.2 | Very low | 30.5 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 63% | 0.632 | 75% | 0.752 | S | S | * | * | trans | -14.4 | 164.2 | 167.3 | 77.6 | 0 | 0 | 0 | 0 | 125 | ||||
| 1011 | N | 29.4 | Very low | 30.4 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | 80.5 | 119.9 | 135.4 | -80.1 | -46.4 | 0 | 0 | 0 | 121.3 | ||||
| 1012 | K | 33.6 | Very low | 30.3 | Very low | 208 Ų | 208 | 147.1 Ų | 147.1 | 90% | 0.904 | 76% | 0.764 | S | S | * | * | -161.3 | 156.9 | 97.7 | -105 | 164.8 | -173.1 | 171.8 | 0 | 114 | |||||
| 1013 | K | 28.5 | Very low | 30.1 | Very low | 178 Ų | 178 | 145.9 Ų | 145.9 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | trans | -82.7 | 157.6 | 176.6 | -53 | 168.3 | 179.2 | 176.4 | 0 | 110.7 | ||||
| 1014 | T | 31.1 | Very low | 30 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | -169.7 | 125.3 | 111.2 | 24.7 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1015 | N | 29.6 | Very low | 29.8 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | 48.1 | 110.8 | 136.6 | -57 | 5.8 | 0 | 0 | 0 | 121.6 | ||||
| 1016 | S | 32.3 | Very low | 29.9 | Very low | 108 Ų | 108 | 156.4 Ų | 156.4 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -57.6 | 160.9 | 146.1 | 57.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1017 | N | 31.9 | Very low | 29.6 | Very low | 170 Ų | 170 | 153 Ų | 153 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | trans | -144.6 | 146.2 | 149.3 | -120.2 | -29.3 | 0 | 0 | 0 | 112.8 | ||||
| 1018 | Q | 30.5 | Very low | 29.7 | Very low | 139 Ų | 139 | 157.8 Ų | 157.8 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | trans | -93.8 | 154.1 | -174.3 | -61.9 | -180 | 18.5 | 0 | 0 | 112 | ||||
| 1019 | L | 29.4 | Very low | 29.6 | Very low | 160 Ų | 160 | 160.1 Ų | 160.1 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -134.5 | 87.4 | 161.3 | -117.4 | 169.3 | 0 | 0 | 0 | 111.5 | ||||
| 1020 | K | 27.3 | Very low | 29.6 | Very low | 167 Ų | 167 | 165.1 Ų | 165.1 | 73% | 0.726 | 81% | 0.805 | S | S | * | * | trans | -82.7 | 117 | 169.7 | -77.4 | 168.2 | 174.3 | 143.8 | 0 | 109.7 | ||||
| 1021 | M | 30.1 | Very low | 29.6 | Very low | 179 Ų | 179 | 167.2 Ų | 167.2 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -104.9 | 102.6 | 162 | -82.1 | -155.1 | 175.9 | 0 | 0 | 111.6 | ||||
| 1022 | K | 30.1 | Very low | 29.7 | Very low | 195 Ų | 195 | 169.7 Ų | 169.7 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | trans | -74.8 | 136.2 | 152.3 | -65.3 | 173.8 | 177.8 | 174.3 | 0 | 107.8 | ||||
| 1023 | N | 28.8 | Very low | 29.6 | Very low | 137 Ų | 137 | 168.4 Ų | 168.4 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | trans | -166.5 | 130.5 | 137.2 | -106.3 | -48.9 | 0 | 0 | 0 | 115.9 | ||||
| 1024 | K | 28.5 | Very low | 29.9 | Very low | 182 Ų | 182 | 166.8 Ų | 166.8 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | 54.8 | 107 | 142.2 | -70 | 164 | -173.4 | 174 | 0 | 120.2 | ||||
| 1025 | K | 29.6 | Very low | 30.1 | Very low | 212 Ų | 212 | 165.9 Ų | 165.9 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | trans | -34.7 | 133.8 | 146.9 | -59 | 171.5 | 176.9 | 178.2 | 0 | 112.3 | ||||
| 1026 | K | 29.2 | Very low | 30.1 | Very low | 218 Ų | 218 | 164.9 Ų | 164.9 | 95% | 0.948 | 81% | 0.812 | S | S | * | * | trans | -146.9 | 139.6 | 148.9 | -113.6 | 179.4 | -177.2 | -179.1 | 0 | 110 | ||||
| 1027 | S | 25.7 | Very low | 30.1 | Very low | 100 Ų | 100 | 169.1 Ų | 169.1 | 70% | 0.699 | 82% | 0.821 | S | S | * | * | trans | -104.6 | 143.1 | -176.2 | 56.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1028 | K | 28.9 | Very low | 30.6 | Very low | 193 Ų | 193 | 170 Ų | 170 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | 152.9 | 131.9 | 133.8 | -85.3 | 168.4 | -179.1 | -177.7 | 0 | 111.6 | ||||
| 1029 | K | 28.1 | Very low | 31.4 | Very low | 198 Ų | 198 | 172.4 Ų | 172.4 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | trans | 15.3 | 115 | 150.6 | -60.5 | 179.2 | 175.6 | -176.1 | 0 | 117.8 | ||||
| 1030 | F | 30.3 | Very low | 33.3 | Very low | 219 Ų | 219 | 168.7 Ų | 168.7 | 96% | 0.961 | 81% | 0.811 | S | S | * | * | trans | -140.5 | 146.8 | 133.3 | -112.6 | -80.4 | 0 | 0 | 0 | 110 | ||||
| 1031 | L | 28.6 | Very low | 35.7 | Very low | 148 Ų | 148 | 163.3 Ų | 163.3 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | trans | -154.2 | 112.1 | -162.1 | -165 | 172.5 | 0 | 0 | 0 | 109.5 | ||||
| 1032 | K | 31.8 | Very low | 37.4 | Very low | 182 Ų | 182 | 164.3 Ų | 164.3 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 172.4 | 138.1 | 143.3 | -97.9 | 162 | -176.8 | 177.7 | 0 | 114.7 | ||||
| 1033 | K | 31.6 | Very low | 39.6 | Very low | 181 Ų | 181 | 161 Ų | 161 | 79% | 0.787 | 78% | 0.777 | S | S | * | * | trans | 58.8 | 107.3 | 143.5 | -65.6 | -172.9 | 172.7 | -166.2 | 0 | 120.8 | ||||
| 1034 | N | 34.8 | Very low | 41.9 | Very low | 145 Ų | 145 | 159.2 Ų | 159.2 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | -177.4 | 110.6 | 103.5 | -85.5 | -12.1 | 0 | 0 | 0 | 107.6 | |||||
| 1035 | S | 35.1 | Very low | 44.4 | Very low | 106 Ų | 106 | 154.3 Ų | 154.3 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | 66.9 | 132.3 | 82.3 | 69.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1036 | C | 29.1 | Very low | 46.8 | Very low | 123 Ų | 123 | 149.5 Ų | 149.5 | 83% | 0.831 | 73% | 0.727 | S | S | * | * | cis | -155 | 124.9 | -9.7 | -154.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1037 | Q | 33.6 | Very low | 49.4 | Very low | 198 Ų | 198 | 143.2 Ų | 143.2 | 93% | 0.925 | 70% | 0.701 | S | S | * | * | trans | 172.4 | 86.9 | 149.6 | -103.3 | -172.7 | -0.9 | 0 | 0 | 106.4 | ||||
| 1038 | Q | 40.6 | Very low | 52.1 | Low | 188 Ų | 188 | 144.2 Ų | 144.2 | 88% | 0.879 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 124.5 | -169.2 | -162.4 | 162.2 | -12.1 | 0 | 0 | 109.5 | L1040 | Q1038-L1040 PolarHBondContact O-N 3.08Š|
| 1039 | Q | 48.9 | Very low | 54.7 | Low | 189 Ų | 189 | 138.6 Ų | 138.6 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 136.1 | 169.1 | -75.9 | 177.8 | -69.1 | 0 | 0 | 109.1 | S1041 | Q1039-S1041 PolarHBondContact O-N 3.13Š|
| 1040 | L | 68.3 | Low | 57.3 | Low | 82 Ų | 82 | 133 Ų | 133 | 43% | 0.429 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 135.6 | 167 | -72.1 | 138.6 | 0 | 0 | 0 | 108.8 | Q1038 E1044 I1045 | Q1038-L1040 PolarHBondContact O-N 3.08Å; L1040-E1044 HydrophobicContact CB-CB 4.4Å; L1040-E1044 HydrophobicContact CD2-CB 3.82Å; L1040-I1045 HydrophobicContact CB-CD1 4.22Å; L1040-I1045 HydrophobicContact CB-CG1 3.81Å |
| 1041 | S | 77.9 | Confident | 59.9 | Low | 55 Ų | 55 | 128.5 Ų | 128.5 | 39% | 0.385 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -66.6 | 156.4 | 170.8 | 66.9 | 0 | 0 | 0 | 0 | 110.7 | Q1039 H1043 E1044 I1045 | Q1039-S1041 PolarHBondContact O-N 3.13Å; S1041-H1043 PolarHBondContact O-N 2.78Å; S1041-H1043 VanDerWaalsContact O-N 3.15Å; S1041-E1044 VanDerWaalsContact CB-OE2 3.23Å; S1041-E1044 WeakPolarHBondContact CB-OE2 3.46Å; S1041-E1044 PolarHBondContact N-OE2 2.85Å; S1041-E1044 PolarHBondContact O-N 3.12Å; S1041-E1044 WeakPolarHBondContact OG-CG 3.47Å; S1041-E1044 PolarHBondContact OG-N 2.63Å; S1041-E1044 PolarHBondContact OG-OE2 2.89Å; S1041-I1045 WeakPolarHBondContact O-CG1 3.38Å; S1041-I1045 PolarHBondContact O-N 3.11Å |
| 1042 | Y | 66.4 | Low | 62.5 | Low | 200 Ų | 200 | 126 Ų | 126 | 78% | 0.784 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -53.9 | -34.8 | 175.3 | -82 | -77.4 | 0 | 0 | 0 | 112.6 | I1045 E1046 | Y1042-I1045 PolarHBondContact O-N 2.92Å; Y1042-E1046 VanDerWaalsContact O-CB 3.26Å; Y1042-E1046 WeakPolarHBondContact O-CB 3.35Å; Y1042-E1046 PolarHBondContact O-N 3.3Å |
| 1043 | H | 75 | Confident | 65 | Low | 124 Ų | 124 | 119.9 Ų | 119.9 | 57% | 0.574 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.5 | -40.9 | 177.1 | -174.1 | 12.3 | 0 | 0 | 0 | 112.6 | S1041 I1045 E1046 E1047 | S1041-H1043 PolarHBondContact O-N 2.78Å; S1041-H1043 VanDerWaalsContact O-N 3.15Å; H1043-I1045 VanDerWaalsContact C-N 3.31Å; H1043-I1045 PolarHBondContact O-N 3.22Å; H1043-E1046 PolarHBondContact O-N 2.9Å; H1043-E1047 IonicContact CE1-OE1 2.68Å; H1043-E1047 WeakPolarHBondContact O-CG 3.44Å; H1043-E1047 PolarHBondContact O-N 2.94Å |
| 1044 | E | 78.9 | Confident | 67.4 | Low | 101 Ų | 101 | 116.9 Ų | 116.9 | 47% | 0.472 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.7 | -29.2 | 175.6 | -68.1 | 161.5 | 107.6 | 0 | 0 | 112.5 | L1040 S1041 K1048 | L1040-E1044 HydrophobicContact CB-CB 4.4Å; L1040-E1044 HydrophobicContact CD2-CB 3.82Å; S1041-E1044 VanDerWaalsContact CB-OE2 3.23Å; S1041-E1044 WeakPolarHBondContact CB-OE2 3.46Å; S1041-E1044 PolarHBondContact N-OE2 2.85Å; S1041-E1044 PolarHBondContact O-N 3.12Å; S1041-E1044 WeakPolarHBondContact OG-CG 3.47Å; S1041-E1044 PolarHBondContact OG-N 2.63Å; S1041-E1044 PolarHBondContact OG-OE2 2.89Å; E1044-K1048 WeakPolarHBondContact O-CB 3.27Å; E1044-K1048 VanDerWaalsContact O-CG 3.29Å; E1044-K1048 WeakPolarHBondContact O-CG 3.39Å; E1044-K1048 PolarHBondContact O-N 3.15Å |
| 1045 | I | 80 | Confident | 69.8 | Low | 79 Ų | 79 | 115.7 Ų | 115.7 | 41% | 0.405 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.7 | -46.8 | 171.1 | -63.9 | 168.9 | 0 | 0 | 0 | 109.6 | L1040 S1041 Y1042 H1043 K1048 V1049 | L1040-I1045 HydrophobicContact CB-CD1 4.22Å; L1040-I1045 HydrophobicContact CB-CG1 3.81Å; S1041-I1045 WeakPolarHBondContact O-CG1 3.38Å; S1041-I1045 PolarHBondContact O-N 3.11Å; Y1042-I1045 PolarHBondContact O-N 2.92Å; H1043-I1045 VanDerWaalsContact C-N 3.31Å; H1043-I1045 PolarHBondContact O-N 3.22Å; I1045-K1048 PolarHBondContact O-N 2.95Å; I1045-V1049 HydrophobicContact CG2-CG2 4.37Å; I1045-V1049 WeakPolarHBondContact O-CB 3.49Å; I1045-V1049 VanDerWaalsContact O-CG2 3.31Å; I1045-V1049 WeakPolarHBondContact O-CG2 3.33Å; I1045-V1049 PolarHBondContact O-N 3.01Å |
| 1046 | E | 79.7 | Confident | 72.1 | Confident | 110 Ų | 110 | 115.5 Ų | 115.5 | 51% | 0.514 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63 | -42.6 | -179.5 | -173.4 | 174 | -163.2 | 0 | 0 | 112.5 | Y1042 H1043 V1049 K1050 | Y1042-E1046 VanDerWaalsContact O-CB 3.26Å; Y1042-E1046 WeakPolarHBondContact O-CB 3.35Å; Y1042-E1046 PolarHBondContact O-N 3.3Å; H1043-E1046 PolarHBondContact O-N 2.9Å; E1046-V1049 PolarHBondContact O-N 3.07Å; E1046-K1050 WeakPolarHBondContact O-CG 3.37Å; E1046-K1050 PolarHBondContact O-N 3.32Å |
| 1047 | E | 83.2 | Confident | 74.4 | Confident | 86 Ų | 86 | 117 Ų | 117 | 40% | 0.402 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.8 | -37.4 | 174.9 | -71.7 | -62.1 | 121.4 | 0 | 0 | 112.4 | H1043 K1050 K1051 | H1043-E1047 IonicContact CE1-OE1 2.68Å; H1043-E1047 WeakPolarHBondContact O-CG 3.44Å; H1043-E1047 PolarHBondContact O-N 2.94Å; E1047-K1050 IonicContact OE1-NZ 3.27Å; E1047-K1050 PolarHBondContact OE1-NZ 3.43Å; E1047-K1051 WeakPolarHBondContact O-CB 3.28Å; E1047-K1051 PolarHBondContact O-N 3.44Å |
| 1048 | K | 83.8 | Confident | 76.2 | Confident | 122 Ų | 122 | 112.5 Ų | 112.5 | 53% | 0.53 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 172 | -79.1 | -179.1 | 178.1 | -174.5 | 0 | 112.2 | E1044 I1045 K1051 I1052 | E1044-K1048 WeakPolarHBondContact O-CB 3.27Å; E1044-K1048 VanDerWaalsContact O-CG 3.29Å; E1044-K1048 WeakPolarHBondContact O-CG 3.39Å; E1044-K1048 PolarHBondContact O-N 3.15Å; I1045-K1048 PolarHBondContact O-N 2.95Å; K1048-K1051 PolarHBondContact O-N 3.03Å; K1048-I1052 WeakPolarHBondContact O-CB 3.14Å; K1048-I1052 WeakPolarHBondContact O-CD1 3.4Å; K1048-I1052 VanDerWaalsContact O-CG1 3.28Å; K1048-I1052 WeakPolarHBondContact O-CG1 3.39Å; K1048-I1052 PolarHBondContact O-N 3Å |
| 1049 | V | 82.6 | Confident | 77.3 | Confident | 74 Ų | 74 | 109.2 Ų | 109.2 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.5 | -46 | 176.4 | 168.5 | 0 | 0 | 0 | 0 | 110.7 | I1045 E1046 K1051 I1052 M1053 | I1045-V1049 HydrophobicContact CG2-CG2 4.37Å; I1045-V1049 WeakPolarHBondContact O-CB 3.49Å; I1045-V1049 VanDerWaalsContact O-CG2 3.31Å; I1045-V1049 WeakPolarHBondContact O-CG2 3.33Å; I1045-V1049 PolarHBondContact O-N 3.01Å; E1046-V1049 PolarHBondContact O-N 3.07Å; V1049-K1051 VanDerWaalsContact C-N 3.33Å; V1049-K1051 PolarHBondContact O-N 3.44Å; V1049-I1052 PolarHBondContact O-N 3.06Å; V1049-M1053 HydrophobicContact CG1-CG 4.4Å; V1049-M1053 HydrophobicContact CG1-SD 3.84Å; V1049-M1053 WeakPolarHBondContact O-CB 3.38Å; V1049-M1053 VanDerWaalsContact O-CG 3.3Å; V1049-M1053 WeakPolarHBondContact O-CG 3.41Å; V1049-M1053 PolarHBondContact O-N 3.47Å |
| 1050 | K | 82.6 | Confident | 77.1 | Confident | 81 Ų | 81 | 111.6 Ų | 111.6 | 35% | 0.352 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -56.4 | -46.7 | 173.3 | -78.5 | -179.6 | -168.7 | 162.3 | 0 | 112 | E1046 E1047 M1053 L1054 F1059 | E1046-K1050 WeakPolarHBondContact O-CG 3.37Å; E1046-K1050 PolarHBondContact O-N 3.32Å; E1047-K1050 IonicContact OE1-NZ 3.27Å; E1047-K1050 PolarHBondContact OE1-NZ 3.43Å; K1050-M1053 PolarHBondContact O-N 2.69Å; K1050-L1054 WeakPolarHBondContact O-CG 3.3Å; K1050-L1054 PolarHBondContact O-N 2.68Å; K1050-F1059 HydrophobicContact CG-CE2 4.4Å; K1050-F1059 HydrophobicContact CG-CZ 4.45Å |
| 1051 | K | 85.4 | Confident | 77.5 | Confident | 124 Ų | 124 | 113.1 Ų | 113.1 | 54% | 0.539 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.8 | -48 | 179.4 | 179.6 | 170.8 | 172.3 | 174 | 0 | 111.2 | E1047 K1048 V1049 M1053 L1054 E1055 | E1047-K1051 WeakPolarHBondContact O-CB 3.28Å; E1047-K1051 PolarHBondContact O-N 3.44Å; K1048-K1051 PolarHBondContact O-N 3.03Å; V1049-K1051 VanDerWaalsContact C-N 3.33Å; V1049-K1051 PolarHBondContact O-N 3.44Å; K1051-M1053 VanDerWaalsContact C-N 3.29Å; K1051-M1053 PolarHBondContact O-N 2.77Å; K1051-L1054 PolarHBondContact O-N 2.98Å; K1051-E1055 WeakPolarHBondContact CE-OE1 3.24Å; K1051-E1055 WeakPolarHBondContact CE-OE2 3.44Å; K1051-E1055 HydrophobicContact CG-CG 4.35Å; K1051-E1055 IonicContact NZ-OE1 3.94Å; K1051-E1055 PolarHBondContact NZ-OE1 3.03Å; K1051-E1055 WeakPolarHBondContact O-CB 3.35Å; K1051-E1055 WeakPolarHBondContact O-CG 3.3Å; K1051-E1055 PolarHBondContact O-N 3.28Å |
| 1052 | I | 82.5 | Confident | 77.5 | Confident | 95 Ų | 95 | 116.1 Ų | 116.1 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.2 | -38.5 | 176.1 | -69.3 | 164.6 | 0 | 0 | 0 | 111.3 | K1048 V1049 E1055 N1056 | K1048-I1052 WeakPolarHBondContact O-CB 3.14Å; K1048-I1052 WeakPolarHBondContact O-CD1 3.4Å; K1048-I1052 VanDerWaalsContact O-CG1 3.28Å; K1048-I1052 WeakPolarHBondContact O-CG1 3.39Å; K1048-I1052 PolarHBondContact O-N 3Å; V1049-I1052 PolarHBondContact O-N 3.06Å; I1052-E1055 PolarHBondContact O-N 3.25Å; I1052-N1056 PolarHBondContact O-N 3.1Å; I1052-N1056 PolarHBondContact O-ND2 3.22Å |
| 1053 | M | 84.5 | Confident | 78.1 | Confident | 54 Ų | 54 | 111.4 Ų | 111.4 | 27% | 0.266 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.8 | -37.2 | 176.9 | -72.2 | 175.3 | 66.2 | 0 | 0 | 112.9 | V1049 K1050 K1051 D1057 L1058 F1059 | V1049-M1053 HydrophobicContact CG1-CG 4.4Å; V1049-M1053 HydrophobicContact CG1-SD 3.84Å; V1049-M1053 WeakPolarHBondContact O-CB 3.38Å; V1049-M1053 VanDerWaalsContact O-CG 3.3Å; V1049-M1053 WeakPolarHBondContact O-CG 3.41Å; V1049-M1053 PolarHBondContact O-N 3.47Å; K1050-M1053 PolarHBondContact O-N 2.69Å; K1051-M1053 VanDerWaalsContact C-N 3.29Å; K1051-M1053 PolarHBondContact O-N 2.77Å; M1053-D1057 PolarHBondContact O-N 2.88Å; M1053-L1058 HydrophobicContact CB-CB 4.04Å; M1053-L1058 WeakPolarHBondContact CE-O 3.48Å; M1053-L1058 HydrophobicContact CG-CB 4.11Å; M1053-L1058 PolarHBondContact O-N 2.86Å; M1053-F1059 HydrophobicContact CB-CD2 3.53Å; M1053-F1059 HydrophobicContact CB-CE2 3.59Å; M1053-F1059 HydrophobicContact CE-CD1 4.2Å; M1053-F1059 HydrophobicContact CE-CD2 4Å; M1053-F1059 HydrophobicContact CE-CE1 3.99Å; M1053-F1059 HydrophobicContact CE-CE2 3.78Å; M1053-F1059 HydrophobicContact CE-CG 4.2Å; M1053-F1059 HydrophobicContact CE-CZ 3.77Å; M1053-F1059 HydrophobicContact CG-CE2 4.41Å; M1053-F1059 HydrophobicContact SD-CE2 4.03Å; M1053-F1059 HydrophobicContact SD-CZ 4.2Å |
| 1054 | L | 83.3 | Confident | 78.3 | Confident | 118 Ų | 118 | 110.7 Ų | 110.7 | 62% | 0.618 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.9 | -35.2 | 173.1 | -75.5 | 163.9 | 0 | 0 | 0 | 112.6 | K1050 K1051 N1056 F1059 | K1050-L1054 WeakPolarHBondContact O-CG 3.3Å; K1050-L1054 PolarHBondContact O-N 2.68Å; K1051-L1054 PolarHBondContact O-N 2.98Å; L1054-N1056 PolarHBondContact O-N 3.46Å; L1054-F1059 HydrophobicContact CD2-CD2 4.38Å; L1054-F1059 HydrophobicContact CG-CD2 4.19Å |
| 1055 | E | 85.5 | Confident | 78.3 | Confident | 121 Ų | 121 | 111.3 Ų | 111.3 | 57% | 0.565 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -2.8 | 178.6 | -72.7 | 175.7 | 147.4 | 0 | 0 | 113.8 | K1051 I1052 | K1051-E1055 WeakPolarHBondContact CE-OE1 3.24Å; K1051-E1055 WeakPolarHBondContact CE-OE2 3.44Å; K1051-E1055 HydrophobicContact CG-CG 4.35Å; K1051-E1055 IonicContact NZ-OE1 3.94Å; K1051-E1055 PolarHBondContact NZ-OE1 3.03Å; K1051-E1055 WeakPolarHBondContact O-CB 3.35Å; K1051-E1055 WeakPolarHBondContact O-CG 3.3Å; K1051-E1055 PolarHBondContact O-N 3.28Å; I1052-E1055 PolarHBondContact O-N 3.25Å |
| 1056 | N | 83.2 | Confident | 78.2 | Confident | 101 Ų | 101 | 113.5 Ų | 113.5 | 54% | 0.54 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -134.2 | 15.4 | -176.4 | -69.5 | -97.5 | 0 | 0 | 0 | 113.4 | I1052 L1054 L1058 | I1052-N1056 PolarHBondContact O-N 3.1Å; I1052-N1056 PolarHBondContact O-ND2 3.22Å; L1054-N1056 PolarHBondContact O-N 3.46Å; N1056-L1058 HydrophobicContact CB-CD1 3.91Å; N1056-L1058 HydrophobicContact CB-CG 3.86Å; N1056-L1058 PolarHBondContact O-N 3.15Å |
| 1057 | D | 76.2 | Confident | 78.1 | Confident | 156 Ų | 156 | 113.7 Ų | 113.7 | 83% | 0.834 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.6 | 38.5 | -175.5 | -62.9 | -37.1 | 0 | 0 | 0 | 114 | M1053 F1059 | M1053-D1057 PolarHBondContact O-N 2.88Å; D1057-F1059 VanDerWaalsContact C-N 3.31Å |
| 1058 | L | 71.1 | Confident | 77.7 | Confident | 103 Ų | 103 | 115.8 Ų | 115.8 | 54% | 0.539 | 58% | 0.578 | S | S | . | * | trans | -92.8 | 17.5 | 178.6 | -59.8 | 174.1 | 0 | 0 | 0 | 113.1 | M1053 N1056 | M1053-L1058 HydrophobicContact CB-CB 4.04Å; M1053-L1058 WeakPolarHBondContact CE-O 3.48Å; M1053-L1058 HydrophobicContact CG-CB 4.11Å; M1053-L1058 PolarHBondContact O-N 2.86Å; N1056-L1058 HydrophobicContact CB-CD1 3.91Å; N1056-L1058 HydrophobicContact CB-CG 3.86Å; N1056-L1058 PolarHBondContact O-N 3.15Å | ||
| 1059 | F | 64.7 | Low | 77.2 | Confident | 119 Ų | 119 | 115.3 Ų | 115.3 | 52% | 0.522 | 58% | 0.582 | S | S | . | * | trans | -114 | 69.7 | 176.9 | -101.5 | -63.6 | 0 | 0 | 0 | 111.5 | K1050 M1053 L1054 D1057 | K1050-F1059 HydrophobicContact CG-CE2 4.4Å; K1050-F1059 HydrophobicContact CG-CZ 4.45Å; M1053-F1059 HydrophobicContact CB-CD2 3.53Å; M1053-F1059 HydrophobicContact CB-CE2 3.59Å; M1053-F1059 HydrophobicContact CE-CD1 4.2Å; M1053-F1059 HydrophobicContact CE-CD2 4Å; M1053-F1059 HydrophobicContact CE-CE1 3.99Å; M1053-F1059 HydrophobicContact CE-CE2 3.78Å; M1053-F1059 HydrophobicContact CE-CG 4.2Å; M1053-F1059 HydrophobicContact CE-CZ 3.77Å; M1053-F1059 HydrophobicContact CG-CE2 4.41Å; M1053-F1059 HydrophobicContact SD-CE2 4.03Å; M1053-F1059 HydrophobicContact SD-CZ 4.2Å; L1054-F1059 HydrophobicContact CD2-CD2 4.38Å; L1054-F1059 HydrophobicContact CG-CD2 4.19Å; D1057-F1059 VanDerWaalsContact C-N 3.31Å | ||
| 1060 | D | 44.4 | Very low | 76.7 | Confident | 238 Ų | 238 | 119.1 Ų | 119.1 | 100% | 1.273 | 59% | 0.594 | S | S | * | * | trans | -149.8 | 0 | 166.2 | -128.3 | 10 | 0 | 0 | 0 | 109.6 |
Retrieved 1,060 of 1,060 residues in 1077.6 ms
(Link to these results)