| 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 | 27.4 | Very low | 35.5 | Very low | 209 Ų | 209 | 93.1 Ų | 93.1 | 100% | 1.03 | 48% | 0.48 | S | S | * | . | 0 | -101.6 | 0 | -77.8 | -173.8 | -93.8 | 0 | 0 | 111.2 | R3 S4 L5 | M1-R3 VanDerWaalsContact C-N 3.3Å; M1-R3 PolarHBondContact O-N 3.42Å; M1-S4 WeakPolarHBondContact O-CA 3.24Å; M1-S4 WeakPolarHBondContact O-CB 3.48Å; M1-S4 PolarHBondContact O-N 2.65Å; M1-L5 PolarHBondContact O-N 3.06Å | |||
| 2 | F | 28.1 | Very low | 35.6 | Very low | 106 Ų | 106 | 88.1 Ų | 88.1 | 47% | 0.465 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -49.1 | -40.5 | -163.9 | -156 | -89.5 | 0 | 0 | 0 | 116.1 | L5 C6 F99 | F2-L5 WeakPolarHBondContact O-CB 3.44Å; F2-L5 PolarHBondContact O-N 3.35Å; F2-C6 PolarHBondContact O-N 3.2Å; F2-C6 VanDerWaalsContact O-N 3.13Å; F2-C6 PolarHBondContact O-SG 3.28Å; F2-C6 VanDerWaalsContact O-SG 3.33Å; F2-F99 HydrophobicContact CZ-CE2 4.35Å |
| 3 | R | 34.7 | Very low | 35.7 | Very low | 202 Ų | 202 | 88.8 Ų | 88.8 | 76% | 0.762 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.9 | -49.9 | 174.5 | -170.7 | 172.3 | -178.2 | 163.8 | 1.5 | 113.2 | M1 L5 C6 D7 | M1-R3 VanDerWaalsContact C-N 3.3Å; M1-R3 PolarHBondContact O-N 3.42Å; R3-L5 VanDerWaalsContact C-N 3.27Å; R3-L5 PolarHBondContact O-N 3.12Å; R3-C6 WeakPolarHBondContact O-CB 3.43Å; R3-C6 PolarHBondContact O-N 3.24Å; R3-D7 VanDerWaalsContact O-CG 3.3Å; R3-D7 PolarHBondContact O-N 3.12Å; R3-D7 VanDerWaalsContact O-OD2 3.13Å |
| 4 | S | 36.6 | Very low | 35.9 | Very low | 57 Ų | 57 | 85.9 Ų | 85.9 | 40% | 0.399 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -49 | -51.8 | 168.8 | -165.9 | 0 | 0 | 0 | 0 | 109.8 | M1 C6 D7 D8 | M1-S4 WeakPolarHBondContact O-CA 3.24Å; M1-S4 WeakPolarHBondContact O-CB 3.48Å; M1-S4 PolarHBondContact O-N 2.65Å; S4-C6 PolarHBondContact O-N 3.35Å; S4-D7 CarbonylContact O-C 3.58Å; S4-D7 WeakPolarHBondContact O-CA 3.24Å; S4-D7 PolarHBondContact O-N 2.99Å; S4-D8 WeakPolarHBondContact CB-OD2 3.33Å; S4-D8 VanDerWaalsContact O-CB 3.25Å; S4-D8 WeakPolarHBondContact O-CB 3.26Å; S4-D8 PolarHBondContact O-N 2.78Å; S4-D8 PolarHBondContact OG-OD2 3.5Å |
| 5 | L | 33 | Very low | 35.9 | Very low | 50 Ų | 50 | 85.5 Ų | 85.5 | 26% | 0.262 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -56.9 | -30.2 | -178.6 | -130.6 | 165.5 | 0 | 0 | 0 | 113.3 | M1 F2 R3 L9 | M1-L5 PolarHBondContact O-N 3.06Å; F2-L5 WeakPolarHBondContact O-CB 3.44Å; F2-L5 PolarHBondContact O-N 3.35Å; R3-L5 VanDerWaalsContact C-N 3.27Å; R3-L5 PolarHBondContact O-N 3.12Å; L5-L9 HydrophobicContact CD2-CD1 4.2Å; L5-L9 WeakPolarHBondContact O-CB 3.43Å; L5-L9 WeakPolarHBondContact O-CD1 3.46Å; L5-L9 WeakPolarHBondContact O-CG 3.5Å; L5-L9 PolarHBondContact O-N 3.43Å |
| 6 | C | 36.7 | Very low | 35.7 | Very low | 51 Ų | 51 | 85.3 Ų | 85.3 | 35% | 0.345 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -77.2 | -43.9 | 170.8 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | F2 R3 S4 D8 L9 V10 | F2-C6 PolarHBondContact O-N 3.2Å; F2-C6 VanDerWaalsContact O-N 3.13Å; F2-C6 PolarHBondContact O-SG 3.28Å; F2-C6 VanDerWaalsContact O-SG 3.33Å; R3-C6 WeakPolarHBondContact O-CB 3.43Å; R3-C6 PolarHBondContact O-N 3.24Å; S4-C6 PolarHBondContact O-N 3.35Å; C6-D8 VanDerWaalsContact C-N 3.34Å; C6-L9 PolarHBondContact O-N 3.38Å; C6-V10 WeakPolarHBondContact O-CB 3.39Å; C6-V10 VanDerWaalsContact O-CG2 3.31Å; C6-V10 WeakPolarHBondContact O-CG2 3.44Å; C6-V10 PolarHBondContact O-N 3.43Å |
| 7 | D | 40.1 | Very low | 35.7 | Very low | 93 Ų | 93 | 90.8 Ų | 90.8 | 50% | 0.497 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 178.1 | -59.3 | -39.3 | 0 | 0 | 0 | 111.2 | R3 S4 V10 S11 | R3-D7 VanDerWaalsContact O-CG 3.3Å; R3-D7 PolarHBondContact O-N 3.12Å; R3-D7 VanDerWaalsContact O-OD2 3.13Å; S4-D7 CarbonylContact O-C 3.58Å; S4-D7 WeakPolarHBondContact O-CA 3.24Å; S4-D7 PolarHBondContact O-N 2.99Å; D7-V10 PolarHBondContact O-N 3.37Å; D7-S11 PolarHBondContact O-N 3.14Å |
| 8 | D | 37.9 | Very low | 35.6 | Very low | 77 Ų | 77 | 88 Ų | 88 | 41% | 0.412 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.1 | -47.3 | 174.5 | -64.3 | -44 | 0 | 0 | 0 | 110.8 | S4 C6 V10 S11 I12 | S4-D8 WeakPolarHBondContact CB-OD2 3.33Å; S4-D8 VanDerWaalsContact O-CB 3.25Å; S4-D8 WeakPolarHBondContact O-CB 3.26Å; S4-D8 PolarHBondContact O-N 2.78Å; S4-D8 PolarHBondContact OG-OD2 3.5Å; C6-D8 VanDerWaalsContact C-N 3.34Å; D8-V10 VanDerWaalsContact C-N 3.31Å; D8-V10 PolarHBondContact O-N 3.44Å; D8-S11 PolarHBondContact O-N 3.33Å; D8-I12 WeakPolarHBondContact O-CB 3.47Å; D8-I12 WeakPolarHBondContact O-CD1 3.3Å; D8-I12 VanDerWaalsContact O-CG1 3.23Å; D8-I12 WeakPolarHBondContact O-CG1 3.5Å; D8-I12 PolarHBondContact O-N 3.09Å |
| 9 | L | 35.7 | Very low | 35.3 | Very low | 34 Ų | 34 | 88.9 Ų | 88.9 | 18% | 0.178 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 173.6 | -86.2 | 168.3 | 0 | 0 | 0 | 112.2 | L5 C6 I13 L126 | L5-L9 HydrophobicContact CD2-CD1 4.2Å; L5-L9 WeakPolarHBondContact O-CB 3.43Å; L5-L9 WeakPolarHBondContact O-CD1 3.46Å; L5-L9 WeakPolarHBondContact O-CG 3.5Å; L5-L9 PolarHBondContact O-N 3.43Å; C6-L9 PolarHBondContact O-N 3.38Å; L9-I13 WeakPolarHBondContact O-CB 3.15Å; L9-I13 WeakPolarHBondContact O-CD1 3.49Å; L9-I13 VanDerWaalsContact O-CG1 3.23Å; L9-I13 WeakPolarHBondContact O-CG1 3.32Å; L9-I13 PolarHBondContact O-N 3.5Å; L9-L126 HydrophobicContact CD2-CD2 3.93Å; L9-L126 HydrophobicContact CD2-CG 4.34Å |
| 10 | V | 41.2 | Very low | 34.9 | Very low | 89 Ų | 89 | 88.5 Ų | 88.5 | 54% | 0.539 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.1 | -39 | 175.2 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | C6 D7 D8 I13 V14 | C6-V10 WeakPolarHBondContact O-CB 3.39Å; C6-V10 VanDerWaalsContact O-CG2 3.31Å; C6-V10 WeakPolarHBondContact O-CG2 3.44Å; C6-V10 PolarHBondContact O-N 3.43Å; D7-V10 PolarHBondContact O-N 3.37Å; D8-V10 VanDerWaalsContact C-N 3.31Å; D8-V10 PolarHBondContact O-N 3.44Å; V10-I13 PolarHBondContact O-N 3.04Å; V10-V14 WeakPolarHBondContact O-CG2 3.43Å; V10-V14 PolarHBondContact O-N 3.16Å; V10-V14 VanDerWaalsContact O-N 3.14Å |
| 11 | S | 39.2 | Very low | 34.8 | Very low | 56 Ų | 56 | 88.6 Ų | 88.6 | 39% | 0.392 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.5 | -54.3 | 171.7 | -165.3 | 0 | 0 | 0 | 0 | 110.2 | D7 D8 I13 V14 D15 | D7-S11 PolarHBondContact O-N 3.14Å; D8-S11 PolarHBondContact O-N 3.33Å; S11-I13 VanDerWaalsContact C-N 3.25Å; S11-I13 PolarHBondContact O-N 3.05Å; S11-I13 VanDerWaalsContact O-N 3.17Å; S11-V14 CarbonylContact O-C 3.56Å; S11-V14 WeakPolarHBondContact O-CA 3.45Å; S11-V14 WeakPolarHBondContact O-CB 3.27Å; S11-V14 PolarHBondContact O-N 3.29Å; S11-D15 PolarHBondContact O-N 3.41Å; S11-D15 PolarHBondContact OG-OD2 2.93Å |
| 12 | I | 37 | Very low | 35 | Very low | 33 Ų | 33 | 84 Ų | 84 | 17% | 0.169 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -54.4 | -40 | -179.6 | -73.5 | 167.2 | 0 | 0 | 0 | 112 | D8 V14 I16 V122 | D8-I12 WeakPolarHBondContact O-CB 3.47Å; D8-I12 WeakPolarHBondContact O-CD1 3.3Å; D8-I12 VanDerWaalsContact O-CG1 3.23Å; D8-I12 WeakPolarHBondContact O-CG1 3.5Å; D8-I12 PolarHBondContact O-N 3.09Å; I12-V14 VanDerWaalsContact C-N 3.35Å; I12-I16 HydrophobicContact CG2-CD1 3.84Å; I12-I16 WeakPolarHBondContact O-CB 3.24Å; I12-I16 VanDerWaalsContact O-CD1 3.32Å; I12-I16 WeakPolarHBondContact O-CD1 3.49Å; I12-I16 WeakPolarHBondContact O-CG1 3.33Å; I12-I16 PolarHBondContact O-N 2.83Å; I12-V122 HydrophobicContact CG2-CG2 3.54Å |
| 13 | I | 37.2 | Very low | 35.1 | Very low | 98 Ų | 98 | 87.8 Ų | 87.8 | 50% | 0.503 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.9 | -32.6 | 176 | -72 | 166.2 | 0 | 0 | 0 | 112.2 | L9 V10 S11 Y17 | L9-I13 WeakPolarHBondContact O-CB 3.15Å; L9-I13 WeakPolarHBondContact O-CD1 3.49Å; L9-I13 VanDerWaalsContact O-CG1 3.23Å; L9-I13 WeakPolarHBondContact O-CG1 3.32Å; L9-I13 PolarHBondContact O-N 3.5Å; V10-I13 PolarHBondContact O-N 3.04Å; S11-I13 VanDerWaalsContact C-N 3.25Å; S11-I13 PolarHBondContact O-N 3.05Å; S11-I13 VanDerWaalsContact O-N 3.17Å; I13-Y17 WeakPolarHBondContact O-CD2 3.35Å |
| 14 | V | 38.6 | Very low | 34.9 | Very low | 47 Ų | 47 | 85.2 Ų | 85.2 | 29% | 0.285 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -74.1 | -47 | 172.8 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | V10 S11 I12 I16 Y17 E18 | V10-V14 WeakPolarHBondContact O-CG2 3.43Å; V10-V14 PolarHBondContact O-N 3.16Å; V10-V14 VanDerWaalsContact O-N 3.14Å; S11-V14 CarbonylContact O-C 3.56Å; S11-V14 WeakPolarHBondContact O-CA 3.45Å; S11-V14 WeakPolarHBondContact O-CB 3.27Å; S11-V14 PolarHBondContact O-N 3.29Å; I12-V14 VanDerWaalsContact C-N 3.35Å; V14-I16 VanDerWaalsContact C-N 3.32Å; V14-I16 PolarHBondContact O-N 2.83Å; V14-Y17 CarbonylContact O-C 3.48Å; V14-Y17 WeakPolarHBondContact O-CA 3.45Å; V14-Y17 WeakPolarHBondContact O-CB 3.41Å; V14-Y17 PolarHBondContact O-N 2.98Å; V14-E18 HydrophobicContact CG1-CG 4.4Å; V14-E18 WeakPolarHBondContact O-CG 3.36Å; V14-E18 PolarHBondContact O-N 3.18Å; V14-E18 VanDerWaalsContact O-N 3.14Å |
| 15 | D | 35.7 | Very low | 34.6 | Very low | 80 Ų | 80 | 93 Ų | 93 | 43% | 0.428 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | -178.3 | -60.2 | -42.7 | 0 | 0 | 0 | 111.3 | S11 Y17 E18 D19 | S11-D15 PolarHBondContact O-N 3.41Å; S11-D15 PolarHBondContact OG-OD2 2.93Å; D15-Y17 VanDerWaalsContact C-N 3.25Å; D15-Y17 PolarHBondContact O-N 3.23Å; D15-E18 PolarHBondContact O-N 3.37Å; D15-E18 VanDerWaalsContact O-N 3.11Å; D15-D19 PolarHBondContact O-N 3.45Å |
| 16 | I | 32.9 | Very low | 34.5 | Very low | 83 Ų | 83 | 94.1 Ų | 94.1 | 43% | 0.426 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.3 | -30.4 | 173.1 | -70.6 | 165.3 | 0 | 0 | 0 | 112.5 | I12 V14 V122 | I12-I16 HydrophobicContact CG2-CD1 3.84Å; I12-I16 WeakPolarHBondContact O-CB 3.24Å; I12-I16 VanDerWaalsContact O-CD1 3.32Å; I12-I16 WeakPolarHBondContact O-CD1 3.49Å; I12-I16 WeakPolarHBondContact O-CG1 3.33Å; I12-I16 PolarHBondContact O-N 2.83Å; V14-I16 VanDerWaalsContact C-N 3.32Å; V14-I16 PolarHBondContact O-N 2.83Å; I16-V122 HydrophobicContact CD1-CG2 3.69Å |
| 17 | Y | 35.1 | Very low | 34.4 | Very low | 179 Ų | 179 | 96.3 Ų | 96.3 | 70% | 0.702 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -79.6 | -17.2 | 176.4 | -105.4 | -89.2 | 0 | 0 | 0 | 113.3 | I13 V14 D15 F438 | I13-Y17 WeakPolarHBondContact O-CD2 3.35Å; V14-Y17 CarbonylContact O-C 3.48Å; V14-Y17 WeakPolarHBondContact O-CA 3.45Å; V14-Y17 WeakPolarHBondContact O-CB 3.41Å; V14-Y17 PolarHBondContact O-N 2.98Å; D15-Y17 VanDerWaalsContact C-N 3.25Å; D15-Y17 PolarHBondContact O-N 3.23Å; Y17-F438 WeakPolarHBondContact O-CE2 3.19Å; Y17-F438 WeakPolarHBondContact O-CZ 3.48Å |
| 18 | E | 33 | Very low | 34 | Very low | 40 Ų | 40 | 101.3 Ų | 101.3 | 19% | 0.187 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -100.7 | -16.1 | -175 | -65.2 | -165.2 | 110.5 | 0 | 0 | 114.4 | V14 D15 N20 H436 F438 | V14-E18 HydrophobicContact CG1-CG 4.4Å; V14-E18 WeakPolarHBondContact O-CG 3.36Å; V14-E18 PolarHBondContact O-N 3.18Å; V14-E18 VanDerWaalsContact O-N 3.14Å; D15-E18 PolarHBondContact O-N 3.37Å; D15-E18 VanDerWaalsContact O-N 3.11Å; E18-N20 PolarHBondContact O-N 3.45Å; E18-N20 VanDerWaalsContact O-N 3.1Å; E18-H436 IonicContact OE1-CE1 3.71Å; E18-H436 IonicContact OE1-CG 2.72Å; E18-H436 IonicContact OE1-ND1 3.95Å; E18-H436 PolarHBondContact OE1-ND1 3.38Å; E18-H436 IonicContact OE2-CE1 2.72Å; E18-H436 PolarHBondContact OE2-CE1 2.81Å; E18-H436 IonicContact OE2-CG 2.95Å; E18-H436 IonicContact OE2-ND1 2.72Å; E18-H436 PolarHBondContact OE2-ND1 2.89Å; E18-H436 VanDerWaalsContact OE2-ND1 3.1Å; E18-H436 IonicContact OE2-NE2 2.69Å; E18-F438 HydrophobicContact CB-CD2 4.27Å; E18-F438 HydrophobicContact CG-CD2 4.34Å; E18-F438 WeakPolarHBondContact O-CE2 3.42Å |
| 19 | D | 30 | Very low | 33.6 | Very low | 106 Ų | 106 | 99.6 Ų | 99.6 | 57% | 0.567 | 50% | 0.496 | S | S | * | . | trans | -83.7 | 82.7 | 178.7 | -157.6 | -19.1 | 0 | 0 | 0 | 112.8 | D15 S21 F22 | D15-D19 PolarHBondContact O-N 3.45Å; D19-S21 PolarHBondContact O-N 3.16Å; D19-S21 PolarHBondContact OD1-OG 3.44Å; D19-F22 PolarHBondContact O-N 2.94Å | ||
| 20 | N | 28.5 | Very low | 33.3 | Very low | 80 Ų | 80 | 101.6 Ų | 101.6 | 43% | 0.428 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -54.6 | -13.2 | -177.3 | -83.2 | -73.5 | 0 | 0 | 0 | 115.6 | E18 F22 F438 | E18-N20 PolarHBondContact O-N 3.45Å; E18-N20 VanDerWaalsContact O-N 3.1Å; N20-F22 PolarHBondContact O-N 3.2Å; N20-F438 VanDerWaalsContact CG-CE2 3.48Å; N20-F438 VanDerWaalsContact ND2-CD2 3.34Å; N20-F438 WeakPolarHBondContact ND2-CD2 3.49Å; N20-F438 WeakPolarHBondContact ND2-CE2 3.47Å; N20-F438 WeakPolarHBondContact OD1-CZ 3.24Å |
| 21 | S | 33 | Very low | 32.8 | Very low | 90 Ų | 90 | 105.1 Ų | 105.1 | 63% | 0.629 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -69.8 | -15 | -175.5 | 65.7 | 0 | 0 | 0 | 0 | 114.7 | D19 | D19-S21 PolarHBondContact O-N 3.16Å; D19-S21 PolarHBondContact OD1-OG 3.44Å |
| 22 | F | 30.1 | Very low | 32.4 | Very low | 114 Ų | 114 | 108.3 Ų | 108.3 | 50% | 0.5 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -83.7 | -22.7 | -175.2 | -144.8 | -104 | 0 | 0 | 0 | 114.5 | D19 N20 D24 R25 H26 F118 | D19-F22 PolarHBondContact O-N 2.94Å; N20-F22 PolarHBondContact O-N 3.2Å; F22-D24 PolarHBondContact O-N 2.97Å; F22-R25 PolarHBondContact O-N 3.23Å; F22-H26 AromaticContact CD1-CD2 3.74Å; F22-H26 AromaticContact CE1-CD2 3.53Å; F22-H26 AromaticContact CE1-NE2 3.58Å; F22-F118 HydrophobicContact CZ-CB 4.46Å |
| 23 | Y | 31.1 | Very low | 31.9 | Very low | 185 Ų | 185 | 111.2 Ų | 111.2 | 73% | 0.725 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.2 | -44.6 | -166.2 | -144.2 | -95.4 | 0 | 0 | 0 | 113.4 | R25 H26 | Y23-R25 VanDerWaalsContact C-N 3.26Å; Y23-R25 PolarHBondContact O-N 3.03Å; Y23-H26 PolarHBondContact O-N 3.06Å |
| 24 | D | 30.2 | Very low | 31.5 | Very low | 147 Ų | 147 | 110.2 Ų | 110.2 | 79% | 0.786 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66 | -21.8 | -175.7 | -89.3 | -19.9 | 0 | 0 | 0 | 114.4 | F22 | F22-D24 PolarHBondContact O-N 2.97Å |
| 25 | R | 30.3 | Very low | 31.3 | Very low | 220 Ų | 220 | 113.9 Ų | 113.9 | 83% | 0.83 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -81.7 | -32 | 175.9 | -75.2 | -173.5 | 175.3 | 179.2 | 0.8 | 112.7 | F22 Y23 V27 | F22-R25 PolarHBondContact O-N 3.23Å; Y23-R25 VanDerWaalsContact C-N 3.26Å; Y23-R25 PolarHBondContact O-N 3.03Å; R25-V27 VanDerWaalsContact C-N 3.34Å; R25-V27 PolarHBondContact O-N 3.39Å |
| 26 | H | 30.2 | Very low | 31.1 | Very low | 74 Ų | 74 | 117 Ų | 117 | 34% | 0.343 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.7 | -30.2 | -176.4 | -109 | -95.5 | 0 | 0 | 0 | 113.6 | F22 Y23 K28 A29 V30 | F22-H26 AromaticContact CD1-CD2 3.74Å; F22-H26 AromaticContact CE1-CD2 3.53Å; F22-H26 AromaticContact CE1-NE2 3.58Å; Y23-H26 PolarHBondContact O-N 3.06Å; H26-K28 PolarHBondContact O-N 2.71Å; H26-A29 PolarHBondContact O-N 3.17Å; H26-V30 WeakPolarHBondContact O-CG2 3.43Å; H26-V30 PolarHBondContact O-N 3.48Å; H26-V30 VanDerWaalsContact O-N 3.15Å |
| 27 | V | 35.7 | Very low | 31.2 | Very low | 98 Ų | 98 | 116.5 Ų | 116.5 | 59% | 0.594 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -23.2 | -178.7 | -177.7 | 0 | 0 | 0 | 0 | 113.1 | R25 | R25-V27 VanDerWaalsContact C-N 3.34Å; R25-V27 PolarHBondContact O-N 3.39Å |
| 28 | K | 30.9 | Very low | 31.1 | Very low | 197 Ų | 197 | 113.3 Ų | 113.3 | 86% | 0.857 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -24.7 | 172.5 | -82.2 | -175.6 | 175.7 | 176.6 | 0 | 114.8 | H26 | H26-K28 PolarHBondContact O-N 2.71Š|
| 29 | A | 28.9 | Very low | 31.2 | Very low | 41 Ų | 41 | 113.3 Ų | 113.3 | 34% | 0.339 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.5 | -27.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H26 K31 T32 | H26-A29 PolarHBondContact O-N 3.17Å; A29-K31 PolarHBondContact O-N 2.99Å; A29-K31 VanDerWaalsContact O-N 3.13Å; A29-T32 PolarHBondContact O-N 3.24Å; A29-T32 PolarHBondContact O-OG1 3.42Å |
| 30 | V | 30.7 | Very low | 31.5 | Very low | 77 Ų | 77 | 111.6 Ų | 111.6 | 47% | 0.467 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -59.2 | -26.1 | -176.2 | 167.3 | 0 | 0 | 0 | 0 | 113.7 | H26 T32 F33 | H26-V30 WeakPolarHBondContact O-CG2 3.43Å; H26-V30 PolarHBondContact O-N 3.48Å; H26-V30 VanDerWaalsContact O-N 3.15Å; V30-T32 PolarHBondContact O-N 3.35Å; V30-F33 PolarHBondContact O-N 3.38Å |
| 31 | K | 30.4 | Very low | 31.8 | Very low | 163 Ų | 163 | 110.6 Ų | 110.6 | 71% | 0.709 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -63 | -7 | 177.6 | -82.9 | -168 | 172.6 | -175.2 | 0 | 115.6 | A29 | A29-K31 PolarHBondContact O-N 2.99Å; A29-K31 VanDerWaalsContact O-N 3.13Å |
| 32 | T | 30.1 | Very low | 31.9 | Very low | 122 Ų | 122 | 110.1 Ų | 110.1 | 75% | 0.748 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -111.6 | -2.6 | 175.6 | 13.6 | 0 | 0 | 0 | 0 | 113.8 | A29 V30 | A29-T32 PolarHBondContact O-N 3.24Å; A29-T32 PolarHBondContact O-OG1 3.42Å; V30-T32 PolarHBondContact O-N 3.35Å |
| 33 | F | 26.9 | Very low | 32.2 | Very low | 95 Ų | 95 | 107.5 Ų | 107.5 | 42% | 0.417 | 54% | 0.538 | S | S | . | . | trans | -107.2 | -0.1 | -168.1 | -100.4 | -82.4 | 0 | 0 | 0 | 115.6 | V30 L35 V37 | V30-F33 PolarHBondContact O-N 3.38Å; F33-L35 VanDerWaalsContact C-N 3.26Å; F33-L35 PolarHBondContact O-N 2.87Å; F33-L35 VanDerWaalsContact O-N 3.13Å; F33-V37 HydrophobicContact CD1-CG2 4.33Å; F33-V37 WeakPolarHBondContact O-CG2 3.48Å | ||
| 34 | E | 29.8 | Very low | 32.4 | Very low | 76 Ų | 76 | 103.7 Ų | 103.7 | 36% | 0.355 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -0.8 | -170.6 | -76.3 | -145.5 | 96.3 | 0 | 0 | 116.8 | Q1777 R1784 | E34-Q1777 PolarHBondContact OE2-NE2 2.93Å; E34-R1784 IonicContact OE1-CZ 2.8Å; E34-R1784 IonicContact OE1-NH1 3.99Å; E34-R1784 PolarHBondContact OE1-NH1 2.93Å; E34-R1784 IonicContact OE2-NH1 2.64Å |
| 35 | L | 34.5 | Very low | 32.9 | Very low | 125 Ų | 125 | 100.3 Ų | 100.3 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -42.2 | -177.2 | -76.7 | 163.3 | 0 | 0 | 0 | 114 | F33 | F33-L35 VanDerWaalsContact C-N 3.26Å; F33-L35 PolarHBondContact O-N 2.87Å; F33-L35 VanDerWaalsContact O-N 3.13Å |
| 36 | E | 31.1 | Very low | 33.3 | Very low | 144 Ų | 144 | 95.4 Ų | 95.4 | 67% | 0.673 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -21.3 | -171.5 | -63.4 | 178.7 | 147.7 | 0 | 0 | 114.1 | N38 G39 | E36-N38 PolarHBondContact O-N 3.49Å; E36-N38 VanDerWaalsContact O-N 3.09Å; E36-G39 PolarHBondContact O-N 3.23Å |
| 37 | V | 34.8 | Very low | 33.7 | Very low | 74 Ų | 74 | 94.3 Ų | 94.3 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.7 | -25.2 | -171.7 | 169.7 | 0 | 0 | 0 | 0 | 114.2 | F33 G39 Y41 | F33-V37 HydrophobicContact CD1-CG2 4.33Å; F33-V37 WeakPolarHBondContact O-CG2 3.48Å; V37-G39 PolarHBondContact O-N 3.36Å; V37-Y41 PolarHBondContact O-N 3.13Å |
| 38 | N | 33.2 | Very low | 33.8 | Very low | 111 Ų | 111 | 94.8 Ų | 94.8 | 59% | 0.594 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.2 | -40.6 | -177.5 | -65 | -41.7 | 0 | 0 | 0 | 112.7 | E36 Y41 D42 | E36-N38 PolarHBondContact O-N 3.49Å; E36-N38 VanDerWaalsContact O-N 3.09Å; N38-Y41 PolarHBondContact O-N 2.96Å; N38-D42 PolarHBondContact O-N 2.94Å |
| 39 | G | 35.3 | Very low | 34.1 | Very low | 40 Ų | 40 | 93.8 Ų | 93.8 | 41% | 0.412 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.5 | -41.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E36 V37 N43 | E36-G39 PolarHBondContact O-N 3.23Å; V37-G39 PolarHBondContact O-N 3.36Å; G39-N43 VanDerWaalsContact O-CG 3.31Å; G39-N43 PolarHBondContact O-N 2.97Å; G39-N43 VanDerWaalsContact O-N 3.14Å; G39-N43 PolarHBondContact O-ND2 3.48Å |
| 40 | I | 35.7 | Very low | 34.5 | Very low | 70 Ų | 70 | 95.2 Ų | 95.2 | 36% | 0.359 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 178.2 | -60.6 | 173.7 | 0 | 0 | 0 | 110.4 | N43 L44 | I40-N43 PolarHBondContact O-N 2.92Å; I40-L44 HydrophobicContact CG2-CD1 4.15Å; I40-L44 WeakPolarHBondContact O-CG 3.42Å; I40-L44 PolarHBondContact O-N 2.89Å |
| 41 | Y | 34.3 | Very low | 34.9 | Very low | 59 Ų | 59 | 96.5 Ų | 96.5 | 23% | 0.231 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 178.9 | -164.4 | -86.1 | 0 | 0 | 0 | 112.1 | V37 N38 N43 L44 L45 I413 N1791 L1792 | V37-Y41 PolarHBondContact O-N 3.13Å; N38-Y41 PolarHBondContact O-N 2.96Å; Y41-N43 VanDerWaalsContact C-N 3.33Å; Y41-N43 PolarHBondContact O-N 3.12Å; Y41-L44 PolarHBondContact O-N 3.39Å; Y41-L45 HydrophobicContact CE1-CD1 4.43Å; Y41-L45 WeakPolarHBondContact O-CB 3.39Å; Y41-L45 PolarHBondContact O-N 2.92Å; Y41-I413 HydrophobicContact CD1-CD1 4.37Å; Y41-I413 HydrophobicContact CE1-CD1 3.66Å; Y41-N1791 PolarHBondContact OH-O 3.35Å; Y41-L1792 WeakPolarHBondContact OH-CB 3.12Å |
| 42 | D | 36.4 | Very low | 35.4 | Very low | 81 Ų | 81 | 93 Ų | 93 | 43% | 0.433 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.6 | -36.4 | 176.7 | -86.8 | -1.8 | 0 | 0 | 0 | 112.5 | N38 L45 K46 | N38-D42 PolarHBondContact O-N 2.94Å; D42-L45 WeakPolarHBondContact O-CB 3.47Å; D42-L45 PolarHBondContact O-N 2.72Å; D42-K46 VanDerWaalsContact O-CG 3.22Å; D42-K46 WeakPolarHBondContact O-CG 3.27Å; D42-K46 PolarHBondContact O-N 3.27Å |
| 43 | N | 35.6 | Very low | 35.9 | Very low | 59 Ų | 59 | 91.6 Ų | 91.6 | 32% | 0.316 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.7 | -38.1 | 178 | -71.1 | -15.7 | 0 | 0 | 0 | 112.3 | G39 I40 Y41 L45 K46 L47 L108 | G39-N43 VanDerWaalsContact O-CG 3.31Å; G39-N43 PolarHBondContact O-N 2.97Å; G39-N43 VanDerWaalsContact O-N 3.14Å; G39-N43 PolarHBondContact O-ND2 3.48Å; I40-N43 PolarHBondContact O-N 2.92Å; Y41-N43 VanDerWaalsContact C-N 3.33Å; Y41-N43 PolarHBondContact O-N 3.12Å; N43-L45 VanDerWaalsContact C-N 3.34Å; N43-K46 PolarHBondContact O-N 3.08Å; N43-K46 PolarHBondContact OD1-NZ 3.02Å; N43-L47 PolarHBondContact O-N 3.49Å; N43-L108 HydrophobicContact CB-CD1 4.48Å |
| 44 | L | 36 | Very low | 36.4 | Very low | 104 Ų | 104 | 89.2 Ų | 89.2 | 55% | 0.545 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.7 | -35.6 | 170.1 | -71 | 170.1 | 0 | 0 | 0 | 112.1 | I40 Y41 L47 R48 | I40-L44 HydrophobicContact CG2-CD1 4.15Å; I40-L44 WeakPolarHBondContact O-CG 3.42Å; I40-L44 PolarHBondContact O-N 2.89Å; Y41-L44 PolarHBondContact O-N 3.39Å; L44-L47 PolarHBondContact O-N 2.91Å; L44-R48 WeakPolarHBondContact O-CB 3.46Å; L44-R48 PolarHBondContact O-N 3.31Å |
| 45 | L | 39.4 | Very low | 37 | Very low | 76 Ų | 76 | 92.9 Ų | 92.9 | 40% | 0.398 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 175.3 | -151.7 | 78.1 | 0 | 0 | 0 | 111.7 | Y41 D42 N43 R48 W49 I413 | Y41-L45 HydrophobicContact CE1-CD1 4.43Å; Y41-L45 WeakPolarHBondContact O-CB 3.39Å; Y41-L45 PolarHBondContact O-N 2.92Å; D42-L45 WeakPolarHBondContact O-CB 3.47Å; D42-L45 PolarHBondContact O-N 2.72Å; N43-L45 VanDerWaalsContact C-N 3.34Å; L45-R48 PolarHBondContact O-N 3.47Å; L45-W49 WeakPolarHBondContact O-CB 3.14Å; L45-W49 PolarHBondContact O-N 2.94Å; L45-I413 HydrophobicContact CD2-CD1 4.47Å |
| 46 | K | 40.3 | Very low | 37.1 | Very low | 118 Ų | 118 | 88.9 Ų | 88.9 | 51% | 0.513 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 173.4 | -68.8 | 162.5 | -154.4 | 163.4 | 0 | 111.6 | D42 N43 W49 F50 | D42-K46 VanDerWaalsContact O-CG 3.22Å; D42-K46 WeakPolarHBondContact O-CG 3.27Å; D42-K46 PolarHBondContact O-N 3.27Å; N43-K46 PolarHBondContact O-N 3.08Å; N43-K46 PolarHBondContact OD1-NZ 3.02Å; K46-W49 PolarHBondContact O-N 3.22Å; K46-F50 WeakPolarHBondContact O-CB 3.45Å; K46-F50 PolarHBondContact O-N 3.38Å |
| 47 | L | 37.4 | Very low | 37.4 | Very low | 51 Ų | 51 | 87.6 Ų | 87.6 | 27% | 0.267 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 175.2 | -89.2 | 159.3 | 0 | 0 | 0 | 112.3 | N43 L44 F50 Y51 F98 L108 | N43-L47 PolarHBondContact O-N 3.49Å; L44-L47 PolarHBondContact O-N 2.91Å; L47-F50 PolarHBondContact O-N 3.07Å; L47-Y51 PolarHBondContact O-N 3.06Å; L47-F98 HydrophobicContact CD2-CD2 4.41Å; L47-F98 HydrophobicContact CD2-CE2 4Å; L47-L108 HydrophobicContact CD1-CD2 4.37Å |
| 48 | R | 38.4 | Very low | 37.5 | Very low | 107 Ų | 107 | 88.1 Ų | 88.1 | 40% | 0.404 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 176.9 | -169.3 | 176.2 | -177.9 | -147.5 | -5.9 | 111.9 | L44 L45 H52 S1795 | L44-R48 WeakPolarHBondContact O-CB 3.46Å; L44-R48 PolarHBondContact O-N 3.31Å; L45-R48 PolarHBondContact O-N 3.47Å; R48-H52 PolarHBondContact O-N 3.31Å; R48-S1795 PolarHBondContact NH1-OG 2.8Å; R48-S1795 PolarHBondContact NH2-O 2.92Å; R48-S1795 PolarHBondContact NH2-OG 3.1Å; R48-S1795 VanDerWaalsContact NH2-OG 3.17Å |
| 49 | W | 37.1 | Very low | 37.7 | Very low | 176 Ų | 176 | 86.4 Ų | 86.4 | 67% | 0.667 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.7 | -44.7 | 174.6 | -175.1 | 85.2 | 0 | 0 | 0 | 111.8 | L45 K46 Y51 H52 H53 | L45-W49 WeakPolarHBondContact O-CB 3.14Å; L45-W49 PolarHBondContact O-N 2.94Å; K46-W49 PolarHBondContact O-N 3.22Å; W49-Y51 PolarHBondContact O-N 3.02Å; W49-H52 WeakPolarHBondContact O-CB 3.36Å; W49-H52 PolarHBondContact O-N 2.83Å; W49-H53 AromaticContact CH2-CD2 3.62Å; W49-H53 AromaticContact CZ2-CD2 3.81Å; W49-H53 WeakPolarHBondContact O-CB 3.45Å; W49-H53 PolarHBondContact O-N 2.7Å |
| 50 | F | 36.8 | Very low | 37.6 | Very low | 71 Ų | 71 | 91.7 Ų | 91.7 | 31% | 0.311 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 177 | -177.4 | -97.2 | 0 | 0 | 0 | 112.1 | K46 L47 H52 H53 L54 L101 | K46-F50 WeakPolarHBondContact O-CB 3.45Å; K46-F50 PolarHBondContact O-N 3.38Å; L47-F50 PolarHBondContact O-N 3.07Å; F50-H52 VanDerWaalsContact C-N 3.29Å; F50-H52 PolarHBondContact O-N 3.14Å; F50-H53 CarbonylContact O-C 3.51Å; F50-H53 PolarHBondContact O-N 3.38Å; F50-L54 HydrophobicContact CE1-CD1 3.97Å; F50-L54 HydrophobicContact CZ-CD1 3.77Å; F50-L54 WeakPolarHBondContact O-CB 3.39Å; F50-L54 PolarHBondContact O-N 2.88Å; F50-L101 HydrophobicContact CD1-CD1 4.05Å; F50-L101 HydrophobicContact CE1-CD1 3.36Å; F50-L101 HydrophobicContact CE2-CD1 4.06Å; F50-L101 HydrophobicContact CZ-CD1 3.37Å |
| 51 | Y | 40.2 | Very low | 37.5 | Very low | 105 Ų | 105 | 94.9 Ų | 94.9 | 41% | 0.412 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 177.3 | -154 | -86.1 | 0 | 0 | 0 | 112.1 | L47 W49 R55 | L47-Y51 PolarHBondContact O-N 3.06Å; W49-Y51 PolarHBondContact O-N 3.02Å; Y51-R55 PolarHBondContact O-N 3.37Å; Y51-R55 VanDerWaalsContact O-N 3.16Å |
| 52 | H | 40.6 | Very low | 37.5 | Very low | 89 Ų | 89 | 96.7 Ų | 96.7 | 41% | 0.412 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 173.3 | -120.7 | -78.5 | 0 | 0 | 0 | 112.6 | R48 W49 F50 L54 R55 A56 W1798 | R48-H52 PolarHBondContact O-N 3.31Å; W49-H52 WeakPolarHBondContact O-CB 3.36Å; W49-H52 PolarHBondContact O-N 2.83Å; F50-H52 VanDerWaalsContact C-N 3.29Å; F50-H52 PolarHBondContact O-N 3.14Å; H52-L54 VanDerWaalsContact C-N 3.34Å; H52-R55 WeakPolarHBondContact O-CB 3.45Å; H52-R55 PolarHBondContact O-N 2.85Å; H52-A56 PolarHBondContact O-N 3.02Å; H52-W1798 AromaticContact CE1-CH2 3.64Å; H52-W1798 AromaticContact NE2-CH2 3.59Å |
| 53 | H | 40.5 | Very low | 37.3 | Very low | 93 Ų | 93 | 99 Ų | 99 | 43% | 0.431 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.9 | -33 | 178.3 | -158.5 | -25.4 | 0 | 0 | 0 | 111.8 | W49 F50 A56 K57 | W49-H53 AromaticContact CH2-CD2 3.62Å; W49-H53 AromaticContact CZ2-CD2 3.81Å; W49-H53 WeakPolarHBondContact O-CB 3.45Å; W49-H53 PolarHBondContact O-N 2.7Å; F50-H53 CarbonylContact O-C 3.51Å; F50-H53 PolarHBondContact O-N 3.38Å; H53-A56 PolarHBondContact O-N 3.02Å; H53-K57 WeakPolarHBondContact O-CB 3.29Å; H53-K57 PolarHBondContact O-N 2.91Å |
| 54 | L | 38.3 | Very low | 37.1 | Very low | 45 Ų | 45 | 105.8 Ų | 105.8 | 24% | 0.236 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -66 | -45.4 | 174.1 | -152.6 | 89.2 | 0 | 0 | 0 | 110.7 | F50 H52 A56 K57 I58 | F50-L54 HydrophobicContact CE1-CD1 3.97Å; F50-L54 HydrophobicContact CZ-CD1 3.77Å; F50-L54 WeakPolarHBondContact O-CB 3.39Å; F50-L54 PolarHBondContact O-N 2.88Å; H52-L54 VanDerWaalsContact C-N 3.34Å; L54-A56 PolarHBondContact O-N 3.05Å; L54-K57 PolarHBondContact O-N 2.97Å; L54-I58 HydrophobicContact CD2-CD1 4.3Å; L54-I58 HydrophobicContact CG-CD1 4.36Å; L54-I58 VanDerWaalsContact O-CG1 3.31Å; L54-I58 WeakPolarHBondContact O-CG1 3.5Å; L54-I58 PolarHBondContact O-N 2.8Å |
| 55 | R | 40.9 | Very low | 36.8 | Very low | 152 Ų | 152 | 107.4 Ų | 107.4 | 57% | 0.574 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -53.4 | -50.9 | 170.9 | -102.2 | -178.3 | 164.9 | -176.6 | -4.6 | 111.7 | Y51 H52 K57 I58 I59 | Y51-R55 PolarHBondContact O-N 3.37Å; Y51-R55 VanDerWaalsContact O-N 3.16Å; H52-R55 WeakPolarHBondContact O-CB 3.45Å; H52-R55 PolarHBondContact O-N 2.85Å; R55-K57 VanDerWaalsContact C-N 3.34Å; R55-K57 PolarHBondContact O-N 3.3Å; R55-I58 PolarHBondContact O-N 2.89Å; R55-I59 WeakPolarHBondContact O-CG1 3.46Å; R55-I59 PolarHBondContact O-N 3.44Å; R55-I59 VanDerWaalsContact O-N 3.17Å |
| 56 | A | 36.8 | Very low | 36.3 | Very low | 41 Ų | 41 | 111.1 Ų | 111.1 | 34% | 0.339 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H52 H53 L54 I59 F60 | H52-A56 PolarHBondContact O-N 3.02Å; H53-A56 PolarHBondContact O-N 3.02Å; L54-A56 PolarHBondContact O-N 3.05Å; A56-I59 PolarHBondContact O-N 3.18Å; A56-F60 WeakPolarHBondContact O-CD2 3.49Å; A56-F60 PolarHBondContact O-N 3.5Å |
| 57 | K | 36.8 | Very low | 35.7 | Very low | 118 Ų | 118 | 114.4 Ų | 114.4 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.7 | -31.4 | -178.6 | -163.4 | 169.8 | -174.2 | 177.9 | 0 | 112.5 | H53 L54 R55 F60 Y61 | H53-K57 WeakPolarHBondContact O-CB 3.29Å; H53-K57 PolarHBondContact O-N 2.91Å; L54-K57 PolarHBondContact O-N 2.97Å; R55-K57 VanDerWaalsContact C-N 3.34Å; R55-K57 PolarHBondContact O-N 3.3Å; K57-F60 PolarHBondContact O-N 3.32Å; K57-Y61 HydrophobicContact CG-CD2 4.19Å; K57-Y61 HydrophobicContact CG-CE2 4.45Å; K57-Y61 WeakPolarHBondContact O-CB 3.45Å; K57-Y61 PolarHBondContact O-N 3.39Å |
| 58 | I | 38.7 | Very low | 35.2 | Very low | 84 Ų | 84 | 117 Ų | 117 | 43% | 0.431 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 170.7 | -70.3 | 164.4 | 0 | 0 | 0 | 110.3 | L54 R55 F60 Y61 T62 | L54-I58 HydrophobicContact CD2-CD1 4.3Å; L54-I58 HydrophobicContact CG-CD1 4.36Å; L54-I58 VanDerWaalsContact O-CG1 3.31Å; L54-I58 WeakPolarHBondContact O-CG1 3.5Å; L54-I58 PolarHBondContact O-N 2.8Å; R55-I58 PolarHBondContact O-N 2.89Å; I58-F60 VanDerWaalsContact C-N 3.34Å; I58-F60 PolarHBondContact O-N 2.95Å; I58-Y61 PolarHBondContact O-N 2.92Å; I58-T62 PolarHBondContact O-N 3.23Å; I58-T62 VanDerWaalsContact O-N 3.08Å; I58-T62 PolarHBondContact O-OG1 3.41Å |
| 59 | I | 35.8 | Very low | 34.6 | Very low | 76 Ų | 76 | 121.3 Ų | 121.3 | 39% | 0.39 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.8 | -42.3 | 174.2 | -66.4 | 163.4 | 0 | 0 | 0 | 111 | R55 A56 T62 L63 | R55-I59 WeakPolarHBondContact O-CG1 3.46Å; R55-I59 PolarHBondContact O-N 3.44Å; R55-I59 VanDerWaalsContact O-N 3.17Å; A56-I59 PolarHBondContact O-N 3.18Å; I59-T62 PolarHBondContact O-OG1 3.47Å; I59-T62 VanDerWaalsContact O-OG1 3.04Å; I59-L63 HydrophobicContact CG2-CD1 4.28Å; I59-L63 WeakPolarHBondContact O-CD1 3.22Å; I59-L63 WeakPolarHBondContact O-CG 3.32Å; I59-L63 PolarHBondContact O-N 2.76Å |
| 60 | F | 33.6 | Very low | 34.1 | Very low | 151 Ų | 151 | 124.3 Ų | 124.3 | 66% | 0.662 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.1 | -29.9 | 176.1 | -93.5 | -79.2 | 0 | 0 | 0 | 114.2 | A56 K57 I58 R64 | A56-F60 WeakPolarHBondContact O-CD2 3.49Å; A56-F60 PolarHBondContact O-N 3.5Å; K57-F60 PolarHBondContact O-N 3.32Å; I58-F60 VanDerWaalsContact C-N 3.34Å; I58-F60 PolarHBondContact O-N 2.95Å; F60-R64 PolarHBondContact O-N 2.99Å |
| 61 | Y | 34.1 | Very low | 33.7 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 54% | 0.537 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -73.7 | -37.1 | 176.4 | -106.2 | -84.4 | 0 | 0 | 0 | 112.7 | K57 I58 L63 R64 F65 | K57-Y61 HydrophobicContact CG-CD2 4.19Å; K57-Y61 HydrophobicContact CG-CE2 4.45Å; K57-Y61 WeakPolarHBondContact O-CB 3.45Å; K57-Y61 PolarHBondContact O-N 3.39Å; I58-Y61 PolarHBondContact O-N 2.92Å; Y61-L63 VanDerWaalsContact C-N 3.31Å; Y61-R64 PolarHBondContact O-N 2.91Å; Y61-F65 HydrophobicContact CD1-CE2 4.37Å |
| 62 | T | 34.7 | Very low | 32.9 | Very low | 97 Ų | 97 | 130 Ų | 130 | 60% | 0.595 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.9 | -30.4 | 174.7 | 48.5 | 0 | 0 | 0 | 0 | 112.3 | I58 I59 R64 | I58-T62 PolarHBondContact O-N 3.23Å; I58-T62 VanDerWaalsContact O-N 3.08Å; I58-T62 PolarHBondContact O-OG1 3.41Å; I59-T62 PolarHBondContact O-OG1 3.47Å; I59-T62 VanDerWaalsContact O-OG1 3.04Å; T62-R64 VanDerWaalsContact C-N 3.25Å; T62-R64 PolarHBondContact O-N 3.35Å |
| 63 | L | 31.3 | Very low | 32.1 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 67% | 0.67 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -14.8 | 172.1 | -73.3 | 168.5 | 0 | 0 | 0 | 114.3 | I59 Y61 | I59-L63 HydrophobicContact CG2-CD1 4.28Å; I59-L63 WeakPolarHBondContact O-CD1 3.22Å; I59-L63 WeakPolarHBondContact O-CG 3.32Å; I59-L63 PolarHBondContact O-N 2.76Å; Y61-L63 VanDerWaalsContact C-N 3.31Å |
| 64 | R | 31.1 | Very low | 31.3 | Very low | 202 Ų | 202 | 140.2 Ų | 140.2 | 76% | 0.762 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | 8.7 | -170.1 | -150.4 | -179.3 | -178.3 | 173 | 2.5 | 115.3 | F60 Y61 T62 | F60-R64 PolarHBondContact O-N 2.99Å; Y61-R64 PolarHBondContact O-N 2.91Å; T62-R64 VanDerWaalsContact C-N 3.25Å; T62-R64 PolarHBondContact O-N 3.35Å |
| 65 | F | 30.8 | Very low | 30.7 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 61% | 0.605 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -109.1 | -0.5 | -174.9 | -104.8 | -75.5 | 0 | 0 | 0 | 116 | Y61 | Y61-F65 HydrophobicContact CD1-CE2 4.37Š|
| 66 | N | 29.1 | Very low | 30 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 83% | 0.829 | 70% | 0.697 | S | S | * | * | trans | -108 | 48.8 | -178.4 | -75.2 | 2.3 | 0 | 0 | 0 | 113.5 | S68 | N66-S68 PolarHBondContact O-N 3.27Š| ||
| 67 | E | 26 | Very low | 29.4 | Very low | 187 Ų | 187 | 148.7 Ų | 148.7 | 87% | 0.874 | 72% | 0.715 | S | S | * | * | trans | -93.4 | 67.9 | 169.9 | -72.7 | -172.6 | 164.2 | 0 | 0 | 111.6 | ||||
| 68 | S | 27.1 | Very low | 28.8 | Very low | 104 Ų | 104 | 145.7 Ų | 145.7 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -151.1 | 100 | 168.7 | 67.1 | 0 | 0 | 0 | 0 | 114.1 | N66 | N66-S68 PolarHBondContact O-N 3.27Š|
| 69 | K | 27.1 | Very low | 28.1 | Very low | 199 Ų | 199 | 147 Ų | 147 | 87% | 0.865 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 36.8 | 84 | 155.2 | -61.9 | -173.2 | 178.5 | -174.5 | 0 | 118 | ||
| 70 | Y | 26.8 | Very low | 27.5 | Very low | 238 Ų | 238 | 146.1 Ų | 146.1 | 93% | 0.933 | 71% | 0.708 | S | S | * | * | -162.2 | 125.8 | 119.3 | -103.9 | -72.5 | 0 | 0 | 0 | 107.6 | |||||
| 71 | V | 26.6 | Very low | 27 | Very low | 142 Ų | 142 | 143.4 Ų | 143.4 | 86% | 0.861 | 70% | 0.704 | S | S | * | * | trans | -117.8 | 88 | -175.6 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 72 | D | 23.7 | Very low | 26.6 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -160.7 | 140.2 | 153.6 | -118.3 | -35.8 | 0 | 0 | 0 | 110.2 | ||
| 73 | R | 24.4 | Very low | 26.1 | Very low | 226 Ų | 226 | 142.2 Ų | 142.2 | 85% | 0.853 | 70% | 0.697 | S | S | * | * | trans | 52.1 | 97.4 | 178.8 | -55.9 | -177 | -177.2 | -155.8 | -1.8 | 116.3 | P75 | R73-P75 WeakPolarHBondContact O-CD 3.32Š| ||
| 74 | L | 23.2 | Very low | 25.9 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 90% | 0.895 | 69% | 0.694 | S | S | * | * | trans | -82.5 | 111.3 | 165.2 | -84.1 | 163 | 0 | 0 | 0 | 111.8 | ||||
| 75 | P | 26.2 | Very low | 25.5 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 66% | 0.662 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 148.5 | 155.9 | 33.6 | -33.7 | 0 | 0 | 0 | 110.2 | R73 C77 | R73-P75 WeakPolarHBondContact O-CD 3.32Å; P75-C77 PolarHBondContact O-N 3.06Å |
| 76 | Y | 25.8 | Very low | 25.4 | Very low | 207 Ų | 207 | 133.9 Ų | 133.9 | 81% | 0.812 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 121.4 | 176.5 | -85.3 | -100 | 0 | 0 | 0 | 111.6 | ||
| 77 | C | 24.3 | Very low | 25.4 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 72% | 0.723 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 140.8 | 172.2 | -64.2 | 0 | 0 | 0 | 0 | 111.1 | P75 Y1809 | P75-C77 PolarHBondContact O-N 3.06Å; C77-Y1809 PolarHBondContact O-OH 3.3Å |
| 78 | S | 24.4 | Very low | 25.7 | Very low | 55 Ų | 55 | 129 Ų | 129 | 39% | 0.385 | 66% | 0.66 | S | S | . | * | trans | -121.4 | 119.8 | -151.7 | 63.8 | 0 | 0 | 0 | 0 | 112.4 | R1813 | S78-R1813 VanDerWaalsContact CB-CZ 3.44Å; S78-R1813 VanDerWaalsContact CB-NH1 3.28Å; S78-R1813 PolarHBondContact O-NH1 3.34Å; S78-R1813 PolarHBondContact OG-NH1 3.22Å; S78-R1813 VanDerWaalsContact OG-NH1 3.13Å | ||
| 79 | F | 23.9 | Very low | 26 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 49% | 0.491 | 65% | 0.646 | S | S | . | * | G | 310 helix | trans | -86.9 | -20 | -167 | -87.3 | -96.1 | 0 | 0 | 0 | 116.5 | T81 L82 Y1809 | F79-T81 PolarHBondContact O-N 2.85Å; F79-T81 VanDerWaalsContact O-N 3.14Å; F79-L82 HydrophobicContact CD1-CD1 4.46Å; F79-L82 PolarHBondContact O-N 3.14Å; F79-Y1809 HydrophobicContact CB-CE1 3.63Å; F79-Y1809 PolarHBondContact N-OH 2.99Å |
| 80 | N | 23.7 | Very low | 26.6 | Very low | 58 Ų | 58 | 119.6 Ų | 119.6 | 31% | 0.31 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -67.6 | -9.5 | -179.5 | -56.7 | 0.8 | 0 | 0 | 0 | 115.2 | I1810 N1814 | N80-I1810 PolarHBondContact ND2-O 3.42Å; N80-I1810 WeakPolarHBondContact OD1-CG1 3.29Å; N80-N1814 PolarHBondContact ND2-OD1 3.02Å; N80-N1814 VanDerWaalsContact ND2-OD1 3.16Å |
| 81 | T | 23.4 | Very low | 27.1 | Very low | 93 Ų | 93 | 112 Ų | 112 | 57% | 0.571 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -108.5 | 32.4 | 179.4 | 47.5 | 0 | 0 | 0 | 0 | 113 | F79 K83 R1813 | F79-T81 PolarHBondContact O-N 2.85Å; F79-T81 VanDerWaalsContact O-N 3.14Å; T81-K83 PolarHBondContact O-N 3.1Å; T81-R1813 PolarHBondContact OG1-NH1 2.88Å; T81-R1813 PolarHBondContact OG1-NH2 2.86Å |
| 82 | L | 26 | Very low | 27.7 | Very low | 98 Ų | 98 | 111 Ų | 111 | 51% | 0.513 | 59% | 0.586 | S | S | . | * | trans | -76.9 | 64.2 | 150.2 | -71 | 175.3 | 0 | 0 | 0 | 110.3 | F79 F84 | F79-L82 HydrophobicContact CD1-CD1 4.46Å; F79-L82 PolarHBondContact O-N 3.14Å; L82-F84 HydrophobicContact CB-CD1 4.44Å; L82-F84 HydrophobicContact CB-CD2 4.36Å; L82-F84 HydrophobicContact CB-CE2 4.47Å; L82-F84 HydrophobicContact CB-CG 4.37Å; L82-F84 HydrophobicContact CD1-CE1 4.08Å; L82-F84 HydrophobicContact CD1-CE2 4.22Å; L82-F84 HydrophobicContact CD1-CZ 3.8Å; L82-F84 HydrophobicContact CD2-CD1 3.94Å; L82-F84 HydrophobicContact CD2-CE1 3.76Å; L82-F84 HydrophobicContact CD2-CZ 4.33Å; L82-F84 HydrophobicContact CG-CE1 4.35Å; L82-F84 HydrophobicContact CG-CZ 4.47Å; L82-F84 PolarHBondContact O-N 2.94Å | ||
| 83 | K | 23.8 | Very low | 28.5 | Very low | 112 Ų | 112 | 107.1 Ų | 107.1 | 49% | 0.487 | 57% | 0.571 | S | S | . | * | trans | -60.2 | 96.5 | 140 | -176.9 | -178.7 | -178.4 | -178.2 | 0 | 104.1 | T81 D85 D1890 | T81-K83 PolarHBondContact O-N 3.1Å; K83-D85 WeakPolarHBondContact CD-OD2 3.23Å; K83-D85 VanDerWaalsContact CE-OD2 3.28Å; K83-D85 WeakPolarHBondContact CE-OD2 3.37Å; K83-D85 IonicContact NZ-OD2 3.83Å; K83-D85 PolarHBondContact O-N 3Å; K83-D1890 IonicContact NZ-OD1 3.73Å | ||
| 84 | F | 25.8 | Very low | 29.1 | Very low | 135 Ų | 135 | 98 Ų | 98 | 59% | 0.592 | 54% | 0.542 | S | S | * | . | trans | -73.4 | 66.4 | -178.8 | -94.8 | -46.1 | 0 | 0 | 0 | 109.8 | L82 L86 | L82-F84 HydrophobicContact CB-CD1 4.44Å; L82-F84 HydrophobicContact CB-CD2 4.36Å; L82-F84 HydrophobicContact CB-CE2 4.47Å; L82-F84 HydrophobicContact CB-CG 4.37Å; L82-F84 HydrophobicContact CD1-CE1 4.08Å; L82-F84 HydrophobicContact CD1-CE2 4.22Å; L82-F84 HydrophobicContact CD1-CZ 3.8Å; L82-F84 HydrophobicContact CD2-CD1 3.94Å; L82-F84 HydrophobicContact CD2-CE1 3.76Å; L82-F84 HydrophobicContact CD2-CZ 4.33Å; L82-F84 HydrophobicContact CG-CE1 4.35Å; L82-F84 HydrophobicContact CG-CZ 4.47Å; L82-F84 PolarHBondContact O-N 2.94Å; F84-L86 HydrophobicContact CB-CD1 3.75Å; F84-L86 HydrophobicContact CD1-CD1 3.27Å; F84-L86 HydrophobicContact CD2-CD1 4.42Å; F84-L86 HydrophobicContact CE1-CD1 3.82Å; F84-L86 HydrophobicContact CG-CD1 3.6Å; F84-L86 PolarHBondContact O-N 3.24Å | ||
| 85 | D | 24.5 | Very low | 30 | Very low | 125 Ų | 125 | 93.6 Ų | 93.6 | 67% | 0.668 | 51% | 0.514 | S | S | * | . | trans | -66.5 | 71.4 | 149.2 | -70.8 | -39.7 | 0 | 0 | 0 | 106.8 | K83 | K83-D85 WeakPolarHBondContact CD-OD2 3.23Å; K83-D85 VanDerWaalsContact CE-OD2 3.28Å; K83-D85 WeakPolarHBondContact CE-OD2 3.37Å; K83-D85 IonicContact NZ-OD2 3.83Å; K83-D85 PolarHBondContact O-N 3Å | ||
| 86 | L | 28 | Very low | 30.9 | Very low | 33 Ų | 33 | 91 Ų | 91 | 17% | 0.173 | 49% | 0.494 | C | S | . | . | trans | -59.3 | 135.4 | 173.5 | -118.1 | 86.9 | 0 | 0 | 0 | 108.5 | F84 T88 S90 L91 | F84-L86 HydrophobicContact CB-CD1 3.75Å; F84-L86 HydrophobicContact CD1-CD1 3.27Å; F84-L86 HydrophobicContact CD2-CD1 4.42Å; F84-L86 HydrophobicContact CE1-CD1 3.82Å; F84-L86 HydrophobicContact CG-CD1 3.6Å; F84-L86 PolarHBondContact O-N 3.24Å; L86-T88 PolarHBondContact O-N 3.13Å; L86-S90 WeakPolarHBondContact CD2-OG 3.06Å; L86-S90 WeakPolarHBondContact CG-OG 3.38Å; L86-L91 HydrophobicContact CD1-CD1 3.94Å; L86-L91 HydrophobicContact CD1-CG 4.23Å; L86-L91 HydrophobicContact CD2-CB 3.53Å; L86-L91 HydrophobicContact CD2-CD1 3.86Å; L86-L91 HydrophobicContact CD2-CG 3.63Å | ||
| 87 | P | 29.7 | Very low | 31.8 | Very low | 106 Ų | 106 | 84.3 Ų | 84.3 | 69% | 0.688 | 47% | 0.47 | S | S | * | . | trans | -57 | 117 | 145.9 | 27.6 | -31.6 | 0 | 0 | 0 | 106.1 | G89 S90 | P87-G89 PolarHBondContact O-N 3.45Å; P87-S90 PolarHBondContact O-N 3.1Å | ||
| 88 | T | 31.4 | Very low | 32.7 | Very low | 134 Ų | 134 | 82.3 Ų | 82.3 | 82% | 0.822 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -3.9 | -151.7 | 39.2 | 0 | 0 | 0 | 0 | 116.4 | L86 | L86-T88 PolarHBondContact O-N 3.13Š|
| 89 | G | 33.5 | Very low | 33.7 | Very low | 42 Ų | 42 | 81.1 Ų | 81.1 | 43% | 0.433 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -16.5 | 177 | 0 | 0 | 0 | 0 | 0 | 117.3 | P87 Q92 S93 | P87-G89 PolarHBondContact O-N 3.45Å; G89-Q92 WeakPolarHBondContact O-CB 3.27Å; G89-Q92 PolarHBondContact O-N 3.27Å; G89-S93 PolarHBondContact O-N 3.16Å |
| 90 | S | 39.1 | Very low | 34.9 | Very low | 63 Ų | 63 | 80.5 Ų | 80.5 | 44% | 0.441 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -77 | -39.8 | -165.9 | 68.6 | 0 | 0 | 0 | 0 | 115.3 | L86 P87 Q92 S93 S94 | L86-S90 WeakPolarHBondContact CD2-OG 3.06Å; L86-S90 WeakPolarHBondContact CG-OG 3.38Å; P87-S90 PolarHBondContact O-N 3.1Å; S90-Q92 VanDerWaalsContact C-N 3.28Å; S90-S93 WeakPolarHBondContact O-CB 3.29Å; S90-S93 PolarHBondContact O-N 2.89Å; S90-S94 PolarHBondContact O-N 3.37Å |
| 91 | L | 38.5 | Very low | 36 | Very low | 78 Ų | 78 | 80.3 Ų | 80.3 | 41% | 0.408 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.5 | -34.9 | 169.7 | -90.5 | 171.6 | 0 | 0 | 0 | 111 | L86 S93 S94 Y95 | L86-L91 HydrophobicContact CD1-CD1 3.94Å; L86-L91 HydrophobicContact CD1-CG 4.23Å; L86-L91 HydrophobicContact CD2-CB 3.53Å; L86-L91 HydrophobicContact CD2-CD1 3.86Å; L86-L91 HydrophobicContact CD2-CG 3.63Å; L91-S93 VanDerWaalsContact C-N 3.28Å; L91-S93 PolarHBondContact O-N 3.38Å; L91-S94 PolarHBondContact O-N 3.15Å; L91-Y95 HydrophobicContact CD2-CE2 4.06Å; L91-Y95 WeakPolarHBondContact O-CD2 3.26Å; L91-Y95 PolarHBondContact O-N 3.35Å |
| 92 | Q | 39.3 | Very low | 37.1 | Very low | 121 Ų | 121 | 77.3 Ų | 77.3 | 57% | 0.565 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60 | -41.5 | 177.1 | -162.6 | 178.5 | -1.7 | 0 | 0 | 110.4 | G89 S90 S94 Y95 I96 | G89-Q92 WeakPolarHBondContact O-CB 3.27Å; G89-Q92 PolarHBondContact O-N 3.27Å; S90-Q92 VanDerWaalsContact C-N 3.28Å; Q92-S94 VanDerWaalsContact C-N 3.34Å; Q92-S94 PolarHBondContact O-N 3.17Å; Q92-Y95 PolarHBondContact O-N 3.45Å; Q92-I96 HydrophobicContact CG-CD1 3.92Å; Q92-I96 HydrophobicContact CG-CG1 4.45Å; Q92-I96 WeakPolarHBondContact O-CB 3.48Å; Q92-I96 WeakPolarHBondContact O-CD1 3.37Å; Q92-I96 WeakPolarHBondContact O-CG1 3.42Å; Q92-I96 PolarHBondContact O-N 3.44Å |
| 93 | S | 39.1 | Very low | 38.3 | Very low | 72 Ų | 72 | 75 Ų | 75 | 50% | 0.503 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.6 | -40 | 172.5 | -174 | 0 | 0 | 0 | 0 | 113.2 | G89 S90 L91 E97 | G89-S93 PolarHBondContact O-N 3.16Å; S90-S93 WeakPolarHBondContact O-CB 3.29Å; S90-S93 PolarHBondContact O-N 2.89Å; L91-S93 VanDerWaalsContact C-N 3.28Å; L91-S93 PolarHBondContact O-N 3.38Å; S93-E97 PolarHBondContact O-N 3.16Å |
| 94 | S | 38.7 | Very low | 39.6 | Very low | 34 Ų | 34 | 76.5 Ų | 76.5 | 24% | 0.238 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -69.2 | -41.8 | 179.7 | -59.6 | 0 | 0 | 0 | 0 | 112.9 | S90 L91 Q92 E97 F98 | S90-S94 PolarHBondContact O-N 3.37Å; L91-S94 PolarHBondContact O-N 3.15Å; Q92-S94 VanDerWaalsContact C-N 3.34Å; Q92-S94 PolarHBondContact O-N 3.17Å; S94-E97 PolarHBondContact O-N 3.25Å; S94-F98 PolarHBondContact O-N 3.4Å; S94-F98 VanDerWaalsContact O-N 3.16Å |
| 95 | Y | 40.5 | Very low | 41 | Very low | 78 Ų | 78 | 74.9 Ų | 74.9 | 31% | 0.306 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -73.5 | -36.3 | 174.6 | -72.2 | -65.9 | 0 | 0 | 0 | 112.3 | L91 Q92 E97 F98 F99 | L91-Y95 HydrophobicContact CD2-CE2 4.06Å; L91-Y95 WeakPolarHBondContact O-CD2 3.26Å; L91-Y95 PolarHBondContact O-N 3.35Å; Q92-Y95 PolarHBondContact O-N 3.45Å; Y95-E97 PolarHBondContact O-N 2.84Å; Y95-F98 WeakPolarHBondContact O-CB 3.47Å; Y95-F98 PolarHBondContact O-N 3.18Å; Y95-F99 WeakPolarHBondContact O-CD2 3.49Å; Y95-F99 PolarHBondContact O-N 3.11Å |
| 96 | I | 46 | Very low | 42.4 | Very low | 49 Ų | 49 | 69.7 Ų | 69.7 | 25% | 0.251 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55.1 | -42.4 | 169.6 | -77.6 | 167.7 | 0 | 0 | 0 | 109.9 | Q92 F99 R100 | Q92-I96 HydrophobicContact CG-CD1 3.92Å; Q92-I96 HydrophobicContact CG-CG1 4.45Å; Q92-I96 WeakPolarHBondContact O-CB 3.48Å; Q92-I96 WeakPolarHBondContact O-CD1 3.37Å; Q92-I96 WeakPolarHBondContact O-CG1 3.42Å; Q92-I96 PolarHBondContact O-N 3.44Å; I96-F99 CarbonylContact O-C 3.25Å; I96-F99 PolarHBondContact O-N 3.27Å; I96-R100 HydrophobicContact CG2-CG 4.2Å; I96-R100 WeakPolarHBondContact O-CG 3.34Å; I96-R100 PolarHBondContact O-N 3.4Å |
| 97 | E | 44.7 | Very low | 43.7 | Very low | 66 Ų | 66 | 71 Ų | 71 | 31% | 0.308 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -74.5 | -32.6 | -178.1 | -151 | 59.4 | -156.8 | 0 | 0 | 113.4 | S93 S94 Y95 R100 L101 | S93-E97 PolarHBondContact O-N 3.16Å; S94-E97 PolarHBondContact O-N 3.25Å; Y95-E97 PolarHBondContact O-N 2.84Å; E97-R100 PolarHBondContact O-N 3.49Å; E97-R100 WeakPolarHBondContact OE2-CD 3.48Å; E97-R100 IonicContact OE2-CZ 2.69Å; E97-R100 IonicContact OE2-NE 3.87Å; E97-R100 IonicContact OE2-NH1 3.62Å; E97-R100 PolarHBondContact OE2-NH1 3.03Å; E97-L101 WeakPolarHBondContact O-CG 3.32Å; E97-L101 PolarHBondContact O-N 2.92Å |
| 98 | F | 43.6 | Very low | 44.9 | Very low | 65 Ų | 65 | 67.2 Ų | 67.2 | 29% | 0.285 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.7 | -47.4 | 166.1 | 171.3 | -95.5 | 0 | 0 | 0 | 111.3 | L47 S94 Y95 L101 L102 | L47-F98 HydrophobicContact CD2-CD2 4.41Å; L47-F98 HydrophobicContact CD2-CE2 4Å; S94-F98 PolarHBondContact O-N 3.4Å; S94-F98 VanDerWaalsContact O-N 3.16Å; Y95-F98 WeakPolarHBondContact O-CB 3.47Å; Y95-F98 PolarHBondContact O-N 3.18Å; F98-L101 PolarHBondContact O-N 2.95Å; F98-L102 HydrophobicContact CD1-CD1 4.15Å; F98-L102 HydrophobicContact CE1-CD1 3.53Å; F98-L102 HydrophobicContact CE2-CD1 4.49Å; F98-L102 HydrophobicContact CZ-CD1 3.73Å; F98-L102 PolarHBondContact O-N 3.38Å; F98-L102 VanDerWaalsContact O-N 3.1Å |
| 99 | F | 45.3 | Very low | 46.1 | Very low | 30 Ų | 30 | 61.6 Ų | 61.6 | 13% | 0.132 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.6 | -28.3 | 176.2 | -73 | -66.6 | 0 | 0 | 0 | 113.3 | F2 Y95 I96 L101 L102 R103 V130 A133 | F2-F99 HydrophobicContact CZ-CE2 4.35Å; Y95-F99 WeakPolarHBondContact O-CD2 3.49Å; Y95-F99 PolarHBondContact O-N 3.11Å; I96-F99 CarbonylContact O-C 3.25Å; I96-F99 PolarHBondContact O-N 3.27Å; F99-L101 VanDerWaalsContact C-N 3.27Å; F99-L101 PolarHBondContact O-N 3.38Å; F99-L102 HydrophobicContact CD1-CD1 4.27Å; F99-L102 PolarHBondContact O-N 3Å; F99-R103 VanDerWaalsContact O-CB 3.23Å; F99-R103 WeakPolarHBondContact O-CB 3.43Å; F99-R103 PolarHBondContact O-N 3.05Å; F99-V130 HydrophobicContact CE1-CG2 4.47Å; F99-A133 HydrophobicContact CB-CB 3.46Å; F99-A133 VanDerWaalsContact CB-CB 3.46Å; F99-A133 HydrophobicContact CD1-CB 3.71Å; F99-A133 HydrophobicContact CD2-CB 3.59Å; F99-A133 HydrophobicContact CE1-CB 4.32Å; F99-A133 HydrophobicContact CE2-CB 4.23Å; F99-A133 HydrophobicContact CG-CB 3.31Å |
| 100 | R | 48.3 | Very low | 47.2 | Very low | 98 Ų | 98 | 59.6 Ų | 59.6 | 37% | 0.37 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.9 | -25.9 | 170.4 | -77.1 | -154.7 | -176.4 | 106.7 | -5.2 | 112.6 | I96 E97 R103 K104 | I96-R100 HydrophobicContact CG2-CG 4.2Å; I96-R100 WeakPolarHBondContact O-CG 3.34Å; I96-R100 PolarHBondContact O-N 3.4Å; E97-R100 PolarHBondContact O-N 3.49Å; E97-R100 WeakPolarHBondContact OE2-CD 3.48Å; E97-R100 IonicContact OE2-CZ 2.69Å; E97-R100 IonicContact OE2-NE 3.87Å; E97-R100 IonicContact OE2-NH1 3.62Å; E97-R100 PolarHBondContact OE2-NH1 3.03Å; R100-R103 WeakPolarHBondContact O-CB 3.4Å; R100-K104 WeakPolarHBondContact O-CG 3.45Å |
| 101 | L | 46 | Very low | 48 | Very low | 55 Ų | 55 | 59.2 Ų | 59.2 | 29% | 0.288 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -78.2 | -45 | 172.9 | -71.6 | 162.6 | 0 | 0 | 0 | 110.8 | F50 E97 F98 F99 R103 K104 | F50-L101 HydrophobicContact CD1-CD1 4.05Å; F50-L101 HydrophobicContact CE1-CD1 3.36Å; F50-L101 HydrophobicContact CE2-CD1 4.06Å; F50-L101 HydrophobicContact CZ-CD1 3.37Å; E97-L101 WeakPolarHBondContact O-CG 3.32Å; E97-L101 PolarHBondContact O-N 2.92Å; F98-L101 PolarHBondContact O-N 2.95Å; F99-L101 VanDerWaalsContact C-N 3.27Å; F99-L101 PolarHBondContact O-N 3.38Å; L101-R103 PolarHBondContact O-N 3.02Å; L101-K104 HydrophobicContact CD2-CD 4.48Å; L101-K104 WeakPolarHBondContact O-CB 3.28Å; L101-K104 PolarHBondContact O-N 3.37Å |
| 102 | L | 46.9 | Very low | 48.8 | Very low | 30 Ų | 30 | 58.6 Ų | 58.6 | 16% | 0.157 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.7 | -32.1 | 168.1 | -90.7 | 156.9 | 0 | 0 | 0 | 112.9 | F98 F99 K104 L108 V109 | F98-L102 HydrophobicContact CD1-CD1 4.15Å; F98-L102 HydrophobicContact CE1-CD1 3.53Å; F98-L102 HydrophobicContact CE2-CD1 4.49Å; F98-L102 HydrophobicContact CZ-CD1 3.73Å; F98-L102 PolarHBondContact O-N 3.38Å; F98-L102 VanDerWaalsContact O-N 3.1Å; F99-L102 HydrophobicContact CD1-CD1 4.27Å; F99-L102 PolarHBondContact O-N 3Å; L102-K104 PolarHBondContact O-N 3.01Å; L102-L108 HydrophobicContact CD2-CD2 4.42Å; L102-V109 HydrophobicContact CD2-CG2 3.99Å |
| 103 | R | 51.4 | Low | 49.6 | Very low | 50 Ų | 50 | 53.2 Ų | 53.2 | 19% | 0.189 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -18.6 | 173.3 | -168.7 | -169 | 174.4 | 113.7 | -2.3 | 113.4 | F99 R100 L101 I134 L145 | F99-R103 VanDerWaalsContact O-CB 3.23Å; F99-R103 WeakPolarHBondContact O-CB 3.43Å; F99-R103 PolarHBondContact O-N 3.05Å; R100-R103 WeakPolarHBondContact O-CB 3.4Å; L101-R103 PolarHBondContact O-N 3.02Å; R103-I134 PolarHBondContact NH1-O 3.43Å; R103-L145 HydrophobicContact CB-CD2 4.27Å; R103-L145 HydrophobicContact CG-CD2 3.26Å; R103-L145 WeakPolarHBondContact O-CD1 3.35Å; R103-L145 WeakPolarHBondContact O-CD2 3.45Å |
| 104 | K | 51.7 | Low | 50.6 | Low | 143 Ų | 143 | 52.1 Ų | 52.1 | 62% | 0.622 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -29.8 | -179.6 | -75.6 | 174.2 | -179.8 | 177.8 | 0 | 113.5 | R100 L101 L102 P106 | R100-K104 WeakPolarHBondContact O-CG 3.45Å; L101-K104 HydrophobicContact CD2-CD 4.48Å; L101-K104 WeakPolarHBondContact O-CB 3.28Å; L101-K104 PolarHBondContact O-N 3.37Å; L102-K104 PolarHBondContact O-N 3.01Å; K104-P106 WeakPolarHBondContact O-CD 3.49Å |
| 105 | D | 54 | Low | 51.4 | Low | 101 Ų | 101 | 57.1 Ų | 57.1 | 54% | 0.54 | 27% | 0.265 | S | S | . | . | trans | -112.3 | 77.9 | -176.7 | -66.9 | -45.6 | 0 | 0 | 0 | 111.7 | V107 L108 | D105-V107 PolarHBondContact O-N 3.48Å; D105-V107 VanDerWaalsContact O-N 3.17Å; D105-L108 HydrophobicContact CB-CB 4.15Å; D105-L108 PolarHBondContact O-N 2.82Å; D105-L108 VanDerWaalsContact O-N 3.15Å | ||
| 106 | P | 55.5 | Low | 52 | Low | 16 Ų | 16 | 57.6 Ų | 57.6 | 10% | 0.104 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -23 | -177.3 | 27.1 | -36.1 | 0 | 0 | 0 | 113.5 | K104 V109 A110 L148 T149 | K104-P106 WeakPolarHBondContact O-CD 3.49Å; P106-V109 PolarHBondContact O-N 2.79Å; P106-A110 PolarHBondContact O-N 3.05Å; P106-L148 HydrophobicContact CG-CD2 4.39Å; P106-T149 HydrophobicContact CB-CG2 3.45Å; P106-T149 VanDerWaalsContact CB-CG2 3.45Å |
| 107 | V | 55.3 | Low | 52.5 | Low | 61 Ų | 61 | 57 Ų | 57 | 37% | 0.37 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 175.4 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | D105 V109 A110 E111 | D105-V107 PolarHBondContact O-N 3.48Å; D105-V107 VanDerWaalsContact O-N 3.17Å; V107-V109 VanDerWaalsContact C-N 3.27Å; V107-V109 PolarHBondContact O-N 3.23Å; V107-A110 WeakPolarHBondContact O-CB 3.32Å; V107-A110 PolarHBondContact O-N 3.34Å; V107-A110 VanDerWaalsContact O-N 3.11Å; V107-E111 WeakPolarHBondContact O-CG 3.4Å; V107-E111 PolarHBondContact O-N 3.19Å |
| 108 | L | 55.1 | Low | 52.6 | Low | 26 Ų | 26 | 61.1 Ų | 61.1 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.7 | -36.7 | 177.6 | -171.2 | 73.8 | 0 | 0 | 0 | 111.3 | N43 L47 L102 D105 I112 | N43-L108 HydrophobicContact CB-CD1 4.48Å; L47-L108 HydrophobicContact CD1-CD2 4.37Å; L102-L108 HydrophobicContact CD2-CD2 4.42Å; D105-L108 HydrophobicContact CB-CB 4.15Å; D105-L108 PolarHBondContact O-N 2.82Å; D105-L108 VanDerWaalsContact O-N 3.15Å; L108-I112 HydrophobicContact CG-CD1 4.18Å; L108-I112 WeakPolarHBondContact O-CD1 3.4Å; L108-I112 VanDerWaalsContact O-CG1 3.24Å; L108-I112 WeakPolarHBondContact O-CG1 3.5Å; L108-I112 PolarHBondContact O-N 3.32Å; L108-I112 VanDerWaalsContact O-N 3.09Å |
| 109 | V | 55.7 | Low | 52.8 | Low | 15 Ų | 15 | 60.1 Ų | 60.1 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 174.4 | -178 | 0 | 0 | 0 | 0 | 111 | L102 P106 V107 L113 V130 T149 | L102-V109 HydrophobicContact CD2-CG2 3.99Å; P106-V109 PolarHBondContact O-N 2.79Å; V107-V109 VanDerWaalsContact C-N 3.27Å; V107-V109 PolarHBondContact O-N 3.23Å; V109-L113 HydrophobicContact CG1-CD1 4.05Å; V109-L113 WeakPolarHBondContact O-CB 3.3Å; V109-L113 VanDerWaalsContact O-CG 3.28Å; V109-L113 WeakPolarHBondContact O-CG 3.44Å; V109-L113 PolarHBondContact O-N 2.92Å; V109-V130 HydrophobicContact CG1-CG1 4.44Å; V109-T149 HydrophobicContact CB-CG2 4.41Å; V109-T149 HydrophobicContact CG1-CG2 4.48Å |
| 110 | A | 56.3 | Low | 53.1 | Low | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P106 V107 L113 H114 H152 Y153 | P106-A110 PolarHBondContact O-N 3.05Å; V107-A110 WeakPolarHBondContact O-CB 3.32Å; V107-A110 PolarHBondContact O-N 3.34Å; V107-A110 VanDerWaalsContact O-N 3.11Å; A110-L113 PolarHBondContact O-N 2.95Å; A110-H114 WeakPolarHBondContact O-CB 3.34Å; A110-H114 PolarHBondContact O-N 3.48Å; A110-H152 HydrophobicContact CB-CB 4.37Å; A110-Y153 HydrophobicContact CB-CD2 4.41Å |
| 111 | E | 56.5 | Low | 53 | Low | 55 Ų | 55 | 63.4 Ų | 63.4 | 26% | 0.257 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 175.9 | -78.7 | 173.1 | -177.7 | 0 | 0 | 112.2 | V107 L113 H114 Y115 Q156 | V107-E111 WeakPolarHBondContact O-CG 3.4Å; V107-E111 PolarHBondContact O-N 3.19Å; E111-L113 VanDerWaalsContact C-N 3.34Å; E111-L113 PolarHBondContact O-N 2.9Å; E111-H114 PolarHBondContact O-N 3Å; E111-Y115 WeakPolarHBondContact O-CB 3.5Å; E111-Y115 PolarHBondContact O-N 3.45Å; E111-Q156 VanDerWaalsContact CG-NE2 3.26Å |
| 112 | I | 54.5 | Low | 53.1 | Low | 64 Ų | 64 | 61.1 Ų | 61.1 | 33% | 0.328 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 177.3 | -69.3 | 166.4 | 0 | 0 | 0 | 110.3 | L108 H114 Y115 Y116 L126 | L108-I112 HydrophobicContact CG-CD1 4.18Å; L108-I112 WeakPolarHBondContact O-CD1 3.4Å; L108-I112 VanDerWaalsContact O-CG1 3.24Å; L108-I112 WeakPolarHBondContact O-CG1 3.5Å; L108-I112 PolarHBondContact O-N 3.32Å; L108-I112 VanDerWaalsContact O-N 3.09Å; I112-H114 VanDerWaalsContact C-N 3.35Å; I112-H114 PolarHBondContact O-N 3.42Å; I112-Y115 PolarHBondContact O-N 3.29Å; I112-Y116 HydrophobicContact CG2-CD2 3.94Å; I112-Y116 HydrophobicContact CG2-CE2 4.2Å; I112-Y116 VanDerWaalsContact O-CD2 3.31Å; I112-Y116 WeakPolarHBondContact O-CD2 3.4Å; I112-Y116 PolarHBondContact O-N 3.28Å; I112-L126 HydrophobicContact CG2-CD1 4.34Å |
| 113 | L | 56.9 | Low | 53.4 | Low | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.6 | -34.9 | 177.1 | -72.2 | 172.6 | 0 | 0 | 0 | 112.8 | V109 A110 E111 K117 F127 Y153 L173 L177 | V109-L113 HydrophobicContact CG1-CD1 4.05Å; V109-L113 WeakPolarHBondContact O-CB 3.3Å; V109-L113 VanDerWaalsContact O-CG 3.28Å; V109-L113 WeakPolarHBondContact O-CG 3.44Å; V109-L113 PolarHBondContact O-N 2.92Å; A110-L113 PolarHBondContact O-N 2.95Å; E111-L113 VanDerWaalsContact C-N 3.34Å; E111-L113 PolarHBondContact O-N 2.9Å; L113-K117 PolarHBondContact O-N 3.46Å; L113-F127 HydrophobicContact CD1-CD2 4.32Å; L113-Y153 HydrophobicContact CB-CD2 4.26Å; L113-Y153 HydrophobicContact CB-CE2 4.11Å; L113-L173 HydrophobicContact CB-CD2 4.23Å; L113-L173 HydrophobicContact CD2-CD2 4.47Å; L113-L177 HydrophobicContact CD1-CD2 4.47Å |
| 114 | H | 60.7 | Low | 53.3 | Low | 49 Ų | 49 | 59.2 Ų | 59.2 | 23% | 0.227 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.7 | -38.7 | 175.5 | -165.3 | 84.4 | 0 | 0 | 0 | 111.5 | A110 E111 I112 K117 Y153 | A110-H114 WeakPolarHBondContact O-CB 3.34Å; A110-H114 PolarHBondContact O-N 3.48Å; E111-H114 PolarHBondContact O-N 3Å; I112-H114 VanDerWaalsContact C-N 3.35Å; I112-H114 PolarHBondContact O-N 3.42Å; H114-K117 WeakPolarHBondContact O-CB 3.32Å; H114-Y153 HydrophobicContact CB-CE2 4.08Å |
| 115 | Y | 55.6 | Low | 53.3 | Low | 140 Ų | 140 | 53.7 Ų | 53.7 | 55% | 0.549 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 177.3 | -165.2 | -92.5 | 0 | 0 | 0 | 112.5 | E111 I112 K117 | E111-Y115 WeakPolarHBondContact O-CB 3.5Å; E111-Y115 PolarHBondContact O-N 3.45Å; I112-Y115 PolarHBondContact O-N 3.29Å; Y115-K117 VanDerWaalsContact C-N 3.33Å; Y115-K117 PolarHBondContact O-N 2.94Å |
| 116 | Y | 52.8 | Low | 53.2 | Low | 87 Ų | 87 | 51 Ų | 51 | 34% | 0.341 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 8.9 | -179.3 | -70.4 | -72.6 | 0 | 0 | 0 | 115.1 | I112 F118 S119 V122 V123 L126 | I112-Y116 HydrophobicContact CG2-CD2 3.94Å; I112-Y116 HydrophobicContact CG2-CE2 4.2Å; I112-Y116 VanDerWaalsContact O-CD2 3.31Å; I112-Y116 WeakPolarHBondContact O-CD2 3.4Å; I112-Y116 PolarHBondContact O-N 3.28Å; Y116-F118 PolarHBondContact O-N 2.98Å; Y116-S119 PolarHBondContact O-N 2.94Å; Y116-V122 HydrophobicContact CD1-CG1 3.91Å; Y116-V122 HydrophobicContact CG-CG1 3.96Å; Y116-V123 WeakPolarHBondContact O-CG2 3.49Å; Y116-L126 HydrophobicContact CD2-CD1 4.33Å |
| 117 | K | 54.9 | Low | 53 | Low | 38 Ų | 38 | 50.7 Ų | 50.7 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -43.3 | -26.1 | 178.5 | 169.2 | -179.4 | 163.5 | -178.8 | 0 | 116 | L113 H114 Y115 S167 E170 | L113-K117 PolarHBondContact O-N 3.46Å; H114-K117 WeakPolarHBondContact O-CB 3.32Å; Y115-K117 VanDerWaalsContact C-N 3.33Å; Y115-K117 PolarHBondContact O-N 2.94Å; K117-S167 WeakPolarHBondContact CE-OG 3.48Å; K117-E170 HydrophobicContact CD-CG 3.93Å; K117-E170 IonicContact NZ-OE1 3.85Å; K117-E170 PolarHBondContact NZ-OE1 2.97Å; K117-E170 IonicContact NZ-OE2 3.84Å; K117-E170 PolarHBondContact NZ-OE2 3.27Å |
| 118 | F | 47.4 | Very low | 52.8 | Low | 151 Ų | 151 | 50.1 Ų | 50.1 | 66% | 0.662 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -7.7 | -176.7 | -61.4 | -74.9 | 0 | 0 | 0 | 115.3 | F22 Y116 | F22-F118 HydrophobicContact CZ-CB 4.46Å; Y116-F118 PolarHBondContact O-N 2.98Å |
| 119 | S | 48.9 | Very low | 52.6 | Low | 44 Ų | 44 | 49.6 Ų | 49.6 | 31% | 0.308 | 25% | 0.251 | S | S | . | . | trans | -124 | 103.3 | 176.3 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | Y116 H121 V122 V123 | Y116-S119 PolarHBondContact O-N 2.94Å; S119-H121 VanDerWaalsContact C-N 3.3Å; S119-H121 PolarHBondContact O-N 3.36Å; S119-V122 PolarHBondContact O-N 3.44Å; S119-V122 WeakPolarHBondContact OG-CG2 3.18Å; S119-V123 WeakPolarHBondContact O-CB 3.42Å; S119-V123 WeakPolarHBondContact O-CG2 3.5Å; S119-V123 PolarHBondContact O-N 3.17Å; S119-V123 VanDerWaalsContact O-N 3.08Å | ||
| 120 | A | 50.1 | Low | 52.3 | Low | 61 Ų | 61 | 50 Ų | 50 | 50% | 0.504 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.1 | -41 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V123 E124 | A120-V123 PolarHBondContact O-N 3.1Å; A120-E124 WeakPolarHBondContact O-CB 3.18Å; A120-E124 VanDerWaalsContact O-CG 3.28Å; A120-E124 WeakPolarHBondContact O-CG 3.44Å; A120-E124 PolarHBondContact O-N 2.96Å |
| 121 | H | 46.7 | Very low | 52 | Low | 136 Ų | 136 | 50.1 Ų | 50.1 | 63% | 0.63 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -67 | -40 | -178.9 | -122.3 | -58.1 | 0 | 0 | 0 | 112.8 | S119 S125 | S119-H121 VanDerWaalsContact C-N 3.3Å; S119-H121 PolarHBondContact O-N 3.36Å; H121-S125 WeakPolarHBondContact O-CB 3.26Å; H121-S125 PolarHBondContact O-N 3.43Å; H121-S125 PolarHBondContact O-OG 3.27Å; H121-S125 VanDerWaalsContact O-OG 3.04Å |
| 122 | V | 49.4 | Very low | 51.7 | Low | 8 Ų | 8 | 50.9 Ų | 50.9 | 5% | 0.048 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 174.1 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | I12 I16 Y116 S119 S125 L126 | I12-V122 HydrophobicContact CG2-CG2 3.54Å; I16-V122 HydrophobicContact CD1-CG2 3.69Å; Y116-V122 HydrophobicContact CD1-CG1 3.91Å; Y116-V122 HydrophobicContact CG-CG1 3.96Å; S119-V122 PolarHBondContact O-N 3.44Å; S119-V122 WeakPolarHBondContact OG-CG2 3.18Å; V122-S125 PolarHBondContact O-N 3.46Å; V122-L126 HydrophobicContact CG1-CD1 3.73Å; V122-L126 HydrophobicContact CG1-CG 4.31Å; V122-L126 VanDerWaalsContact O-CB 3.31Å; V122-L126 WeakPolarHBondContact O-CB 3.49Å; V122-L126 WeakPolarHBondContact O-CG 3.29Å; V122-L126 PolarHBondContact O-N 2.94Å |
| 123 | V | 51.5 | Low | 51.4 | Low | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.7 | -48.7 | 179.7 | 163.4 | 0 | 0 | 0 | 0 | 111.1 | Y116 S119 A120 S125 F127 L173 | Y116-V123 WeakPolarHBondContact O-CG2 3.49Å; S119-V123 WeakPolarHBondContact O-CB 3.42Å; S119-V123 WeakPolarHBondContact O-CG2 3.5Å; S119-V123 PolarHBondContact O-N 3.17Å; S119-V123 VanDerWaalsContact O-N 3.08Å; A120-V123 PolarHBondContact O-N 3.1Å; V123-S125 PolarHBondContact O-N 2.83Å; V123-F127 WeakPolarHBondContact O-CB 3.46Å; V123-F127 PolarHBondContact O-N 3.45Å; V123-L173 HydrophobicContact CB-CD1 4.43Å; V123-L173 HydrophobicContact CG1-CD1 3.78Å; V123-L173 HydrophobicContact CG1-CD2 4.43Å; V123-L173 HydrophobicContact CG1-CG 3.65Å; V123-L173 HydrophobicContact CG2-CD1 3.78Å |
| 124 | E | 51 | Low | 51.1 | Low | 34 Ų | 34 | 49.1 Ų | 49.1 | 16% | 0.159 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 177.5 | -74.6 | 168.1 | -149.9 | 0 | 0 | 111.5 | A120 S128 H176 | A120-E124 WeakPolarHBondContact O-CB 3.18Å; A120-E124 VanDerWaalsContact O-CG 3.28Å; A120-E124 WeakPolarHBondContact O-CG 3.44Å; A120-E124 PolarHBondContact O-N 2.96Å; E124-S128 WeakPolarHBondContact O-CB 3.32Å; E124-S128 PolarHBondContact O-N 2.91Å; E124-H176 IonicContact OE1-CE1 2.7Å; E124-H176 PolarHBondContact OE1-CE1 3.31Å; E124-H176 IonicContact OE1-ND1 3.78Å; E124-H176 IonicContact OE1-NE2 3Å |
| 125 | S | 51.1 | Low | 50.3 | Low | 27 Ų | 27 | 49.4 Ų | 49.4 | 19% | 0.189 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.9 | -47.4 | 177.7 | -65.1 | 0 | 0 | 0 | 0 | 113.2 | H121 V122 V123 F127 S129 | H121-S125 WeakPolarHBondContact O-CB 3.26Å; H121-S125 PolarHBondContact O-N 3.43Å; H121-S125 PolarHBondContact O-OG 3.27Å; H121-S125 VanDerWaalsContact O-OG 3.04Å; V122-S125 PolarHBondContact O-N 3.46Å; V123-S125 PolarHBondContact O-N 2.83Å; S125-F127 VanDerWaalsContact C-N 3.34Å; S125-S129 WeakPolarHBondContact O-CB 3.47Å; S125-S129 PolarHBondContact O-N 3.44Å |
| 126 | L | 51.5 | Low | 49.6 | Very low | 45 Ų | 45 | 46.6 Ų | 46.6 | 24% | 0.236 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 174.7 | -76.7 | 174.4 | 0 | 0 | 0 | 110.9 | L9 I112 Y116 V122 S129 V130 | L9-L126 HydrophobicContact CD2-CD2 3.93Å; L9-L126 HydrophobicContact CD2-CG 4.34Å; I112-L126 HydrophobicContact CG2-CD1 4.34Å; Y116-L126 HydrophobicContact CD2-CD1 4.33Å; V122-L126 HydrophobicContact CG1-CD1 3.73Å; V122-L126 HydrophobicContact CG1-CG 4.31Å; V122-L126 VanDerWaalsContact O-CB 3.31Å; V122-L126 WeakPolarHBondContact O-CB 3.49Å; V122-L126 WeakPolarHBondContact O-CG 3.29Å; V122-L126 PolarHBondContact O-N 2.94Å; L126-S129 PolarHBondContact O-N 3.07Å; L126-V130 WeakPolarHBondContact O-CB 3.48Å; L126-V130 VanDerWaalsContact O-CG2 3.29Å; L126-V130 WeakPolarHBondContact O-CG2 3.47Å; L126-V130 PolarHBondContact O-N 2.96Å |
| 127 | F | 52 | Low | 48.9 | Very low | 9 Ų | 9 | 45 Ų | 45 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.5 | -38.9 | -175.6 | -164.3 | -102.8 | 0 | 0 | 0 | 112.4 | L113 V123 S125 S129 V130 C131 H176 L177 F180 | L113-F127 HydrophobicContact CD1-CD2 4.32Å; V123-F127 WeakPolarHBondContact O-CB 3.46Å; V123-F127 PolarHBondContact O-N 3.45Å; S125-F127 VanDerWaalsContact C-N 3.34Å; F127-S129 VanDerWaalsContact C-N 3.34Å; F127-S129 PolarHBondContact O-N 3.1Å; F127-V130 PolarHBondContact O-N 3.34Å; F127-C131 HydrophobicContact CE1-CB 4.3Å; F127-C131 WeakPolarHBondContact CE1-SG 3.37Å; F127-C131 HydrophobicContact CZ-CB 4.45Å; F127-C131 WeakPolarHBondContact CZ-SG 3.42Å; F127-C131 WeakPolarHBondContact O-CB 3.49Å; F127-C131 PolarHBondContact O-N 3.33Å; F127-H176 VanDerWaalsContact CE1-O 3.32Å; F127-H176 WeakPolarHBondContact CE1-O 3.44Å; F127-L177 HydrophobicContact CD2-CD2 4.16Å; F127-L177 HydrophobicContact CD2-CG 4.39Å; F127-L177 WeakPolarHBondContact CE1-O 3.48Å; F127-L177 HydrophobicContact CE2-CD2 3.28Å; F127-L177 HydrophobicContact CE2-CG 3.86Å; F127-L177 VanDerWaalsContact CZ-CA 3.44Å; F127-L177 HydrophobicContact CZ-CB 4.18Å; F127-L177 HydrophobicContact CZ-CD2 3.55Å; F127-L177 HydrophobicContact CZ-CG 3.99Å; F127-L177 VanDerWaalsContact CZ-O 3.28Å; F127-L177 WeakPolarHBondContact CZ-O 3.5Å; F127-F180 HydrophobicContact CD1-CB 3.88Å; F127-F180 HydrophobicContact CD1-CD2 4.34Å; F127-F180 HydrophobicContact CE1-CB 3.84Å |
| 128 | S | 50.5 | Low | 48.1 | Very low | 50 Ų | 50 | 49.4 Ų | 49.4 | 35% | 0.35 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 169.6 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | E124 S132 | E124-S128 WeakPolarHBondContact O-CB 3.32Å; E124-S128 PolarHBondContact O-N 2.91Å; S128-S132 WeakPolarHBondContact O-CB 3.15Å; S128-S132 PolarHBondContact O-N 3.31Å |
| 129 | S | 50.6 | Low | 47.8 | Very low | 15 Ų | 15 | 48.2 Ų | 48.2 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.6 | -48.3 | 176.2 | -171.3 | 0 | 0 | 0 | 0 | 112.6 | S125 L126 F127 A133 | S125-S129 WeakPolarHBondContact O-CB 3.47Å; S125-S129 PolarHBondContact O-N 3.44Å; L126-S129 PolarHBondContact O-N 3.07Å; F127-S129 VanDerWaalsContact C-N 3.34Å; F127-S129 PolarHBondContact O-N 3.1Å; S129-A133 PolarHBondContact O-N 2.98Å; S129-A133 VanDerWaalsContact O-N 3.13Å |
| 130 | V | 50.4 | Low | 47.2 | Very low | 23 Ų | 23 | 51 Ų | 51 | 14% | 0.139 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.1 | -45.4 | -178.7 | 167.7 | 0 | 0 | 0 | 0 | 111.6 | F99 V109 L126 F127 A133 I134 | F99-V130 HydrophobicContact CE1-CG2 4.47Å; V109-V130 HydrophobicContact CG1-CG1 4.44Å; L126-V130 WeakPolarHBondContact O-CB 3.48Å; L126-V130 VanDerWaalsContact O-CG2 3.29Å; L126-V130 WeakPolarHBondContact O-CG2 3.47Å; L126-V130 PolarHBondContact O-N 2.96Å; F127-V130 PolarHBondContact O-N 3.34Å; V130-A133 PolarHBondContact O-N 3.27Å; V130-I134 HydrophobicContact CG1-CD1 3.61Å; V130-I134 HydrophobicContact CG1-CG1 4.35Å; V130-I134 VanDerWaalsContact O-CG1 3.31Å; V130-I134 WeakPolarHBondContact O-CG1 3.39Å; V130-I134 PolarHBondContact O-N 2.93Å |
| 131 | C | 49.9 | Very low | 46.7 | Very low | 4 Ų | 4 | 52.9 Ų | 52.9 | 3% | 0.027 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.9 | -35.5 | 177.3 | -82.7 | 0 | 0 | 0 | 0 | 113.2 | F127 A133 I134 C135 F180 G181 | F127-C131 HydrophobicContact CE1-CB 4.3Å; F127-C131 WeakPolarHBondContact CE1-SG 3.37Å; F127-C131 HydrophobicContact CZ-CB 4.45Å; F127-C131 WeakPolarHBondContact CZ-SG 3.42Å; F127-C131 WeakPolarHBondContact O-CB 3.49Å; F127-C131 PolarHBondContact O-N 3.33Å; C131-A133 PolarHBondContact O-N 3.02Å; C131-I134 PolarHBondContact O-N 2.86Å; C131-C135 VanDerWaalsContact O-CB 3.3Å; C131-C135 WeakPolarHBondContact O-CB 3.44Å; C131-C135 PolarHBondContact O-N 3.38Å; C131-C135 PolarHBondContact O-SG 2.86Å; C131-C135 VanDerWaalsContact O-SG 3.35Å; C131-F180 WeakPolarHBondContact CB-O 3.49Å; C131-G181 VanDerWaalsContact SG-CA 3.54Å |
| 132 | S | 49.6 | Very low | 46.6 | Very low | 70 Ų | 70 | 48.7 Ų | 48.7 | 49% | 0.49 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.3 | -39 | 170.1 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | S128 T136 | S128-S132 WeakPolarHBondContact O-CB 3.15Å; S128-S132 PolarHBondContact O-N 3.31Å; S132-T136 WeakPolarHBondContact O-CG2 3.46Å; S132-T136 PolarHBondContact O-OG1 3.04Å; S132-T136 VanDerWaalsContact O-OG1 3.13Å |
| 133 | A | 48.6 | Very low | 46.6 | Very low | 22 Ų | 22 | 50.2 Ų | 50.2 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -82 | -27.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | F99 S129 V130 C131 T136 | F99-A133 HydrophobicContact CB-CB 3.46Å; F99-A133 VanDerWaalsContact CB-CB 3.46Å; F99-A133 HydrophobicContact CD1-CB 3.71Å; F99-A133 HydrophobicContact CD2-CB 3.59Å; F99-A133 HydrophobicContact CE1-CB 4.32Å; F99-A133 HydrophobicContact CE2-CB 4.23Å; F99-A133 HydrophobicContact CG-CB 3.31Å; S129-A133 PolarHBondContact O-N 2.98Å; S129-A133 VanDerWaalsContact O-N 3.13Å; V130-A133 PolarHBondContact O-N 3.27Å; C131-A133 PolarHBondContact O-N 3.02Å; A133-T136 PolarHBondContact O-OG1 3.32Å; A133-T136 VanDerWaalsContact O-OG1 3.06Å |
| 134 | I | 49.5 | Very low | 46.7 | Very low | 13 Ų | 13 | 54.6 Ų | 54.6 | 7% | 0.067 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -72.2 | -39.6 | 172.6 | -70.2 | 169.2 | 0 | 0 | 0 | 110.8 | R103 V130 C131 T136 L145 V146 | R103-I134 PolarHBondContact NH1-O 3.43Å; V130-I134 HydrophobicContact CG1-CD1 3.61Å; V130-I134 HydrophobicContact CG1-CG1 4.35Å; V130-I134 VanDerWaalsContact O-CG1 3.31Å; V130-I134 WeakPolarHBondContact O-CG1 3.39Å; V130-I134 PolarHBondContact O-N 2.93Å; C131-I134 PolarHBondContact O-N 2.86Å; I134-T136 PolarHBondContact O-N 3.49Å; I134-L145 HydrophobicContact CD1-CD2 4.45Å; I134-L145 HydrophobicContact CG2-CD2 4.36Å; I134-V146 HydrophobicContact CG2-CG2 4.18Å |
| 135 | C | 45.3 | Very low | 46.8 | Very low | 55 Ų | 55 | 54.9 Ų | 54.9 | 37% | 0.372 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -82.3 | -6.3 | -173.9 | -65.3 | 0 | 0 | 0 | 0 | 114.7 | C131 N137 | C131-C135 VanDerWaalsContact O-CB 3.3Å; C131-C135 WeakPolarHBondContact O-CB 3.44Å; C131-C135 PolarHBondContact O-N 3.38Å; C131-C135 PolarHBondContact O-SG 2.86Å; C131-C135 VanDerWaalsContact O-SG 3.35Å; C135-N137 VanDerWaalsContact C-N 3.3Å; C135-N137 PolarHBondContact O-N 3.33Å |
| 136 | T | 40.5 | Very low | 47 | Very low | 82 Ų | 82 | 53.7 Ų | 53.7 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -80.1 | 17.4 | -175.5 | 34.3 | 0 | 0 | 0 | 0 | 117.1 | S132 A133 I134 | S132-T136 WeakPolarHBondContact O-CG2 3.46Å; S132-T136 PolarHBondContact O-OG1 3.04Å; S132-T136 VanDerWaalsContact O-OG1 3.13Å; A133-T136 PolarHBondContact O-OG1 3.32Å; A133-T136 VanDerWaalsContact O-OG1 3.06Å; I134-T136 PolarHBondContact O-N 3.49Å |
| 137 | N | 38.3 | Very low | 47.3 | Very low | 53 Ų | 53 | 53.2 Ų | 53.2 | 28% | 0.283 | 33% | 0.325 | S | S | . | . | trans | -126 | 116.2 | 167.6 | -84 | -81.9 | 0 | 0 | 0 | 110.3 | C135 V139 | C135-N137 VanDerWaalsContact C-N 3.3Å; C135-N137 PolarHBondContact O-N 3.33Å; N137-V139 PolarHBondContact O-N 3.02Å | ||
| 138 | P | 36.5 | Very low | 47.6 | Very low | 131 Ų | 131 | 56.4 Ų | 56.4 | 85% | 0.851 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -83.2 | 14.2 | -174.9 | 35.6 | -38 | 0 | 0 | 0 | 114.3 | ||
| 139 | V | 41.9 | Very low | 48 | Very low | 125 Ų | 125 | 54.5 Ų | 54.5 | 76% | 0.758 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -104.7 | -34 | -169.9 | -175.1 | 0 | 0 | 0 | 0 | 112.6 | N137 | N137-V139 PolarHBondContact O-N 3.02Š|
| 140 | D | 36.1 | Very low | 48.4 | Very low | 104 Ų | 104 | 54.3 Ų | 54.3 | 56% | 0.556 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -105.1 | 139.2 | 175.3 | -60.5 | -50 | 0 | 0 | 0 | 110 | P142 | D140-P142 WeakPolarHBondContact O-CD 3.43Š|
| 141 | T | 39.2 | Very low | 48.8 | Very low | 100 Ų | 100 | 54 Ų | 54 | 61% | 0.613 | 33% | 0.325 | S | S | * | . | trans | -64.1 | 119.5 | 178.9 | 42.5 | 0 | 0 | 0 | 0 | 111.3 | S143 | T141-S143 PolarHBondContact O-N 2.88Å; T141-S143 VanDerWaalsContact O-N 3.13Å | ||
| 142 | P | 44.9 | Very low | 49.2 | Very low | 48 Ų | 48 | 55.7 Ų | 55.7 | 31% | 0.312 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -14.2 | -175.6 | 27.1 | -34.7 | 0 | 0 | 0 | 113.3 | D140 N144 V146 | D140-P142 WeakPolarHBondContact O-CD 3.43Å; P142-N144 PolarHBondContact O-N 3.48Å; P142-V146 WeakPolarHBondContact O-CG2 3.46Å |
| 143 | S | 49.6 | Very low | 49.7 | Very low | 39 Ų | 39 | 52.4 Ų | 52.4 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -51.7 | -53.6 | 179.7 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | T141 L145 V146 Q147 | T141-S143 PolarHBondContact O-N 2.88Å; T141-S143 VanDerWaalsContact O-N 3.13Å; S143-L145 PolarHBondContact O-N 3.18Å; S143-V146 PolarHBondContact O-N 2.93Å; S143-Q147 WeakPolarHBondContact O-CB 3.43Å; S143-Q147 WeakPolarHBondContact O-CG 3.39Å; S143-Q147 PolarHBondContact O-N 3.45Å |
| 144 | N | 53.4 | Low | 50.2 | Low | 97 Ų | 97 | 51.5 Ų | 51.5 | 52% | 0.519 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.5 | -34.7 | -160.2 | -66.4 | 16.9 | 0 | 0 | 0 | 112.6 | P142 L148 | P142-N144 PolarHBondContact O-N 3.48Å; N144-L148 PolarHBondContact O-N 2.99Å |
| 145 | L | 54.3 | Low | 50.7 | Low | 40 Ų | 40 | 53.7 Ų | 53.7 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -77.6 | -40.6 | 179.3 | -164.8 | 86.3 | 0 | 0 | 0 | 111.9 | R103 I134 S143 Q147 L148 T149 | R103-L145 HydrophobicContact CB-CD2 4.27Å; R103-L145 HydrophobicContact CG-CD2 3.26Å; R103-L145 WeakPolarHBondContact O-CD1 3.35Å; R103-L145 WeakPolarHBondContact O-CD2 3.45Å; I134-L145 HydrophobicContact CD1-CD2 4.45Å; I134-L145 HydrophobicContact CG2-CD2 4.36Å; S143-L145 PolarHBondContact O-N 3.18Å; L145-Q147 VanDerWaalsContact C-N 3.27Å; L145-Q147 PolarHBondContact O-N 3.43Å; L145-L148 WeakPolarHBondContact O-CB 3.39Å; L145-L148 PolarHBondContact O-N 2.88Å; L145-L148 VanDerWaalsContact O-N 3.09Å; L145-T149 PolarHBondContact O-N 2.68Å; L145-T149 PolarHBondContact O-OG1 2.94Å |
| 146 | V | 55.3 | Low | 51.4 | Low | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 174 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | I134 P142 S143 T149 I150 T182 | I134-V146 HydrophobicContact CG2-CG2 4.18Å; P142-V146 WeakPolarHBondContact O-CG2 3.46Å; S143-V146 PolarHBondContact O-N 2.93Å; V146-T149 WeakPolarHBondContact CA-OG1 3.16Å; V146-T149 PolarHBondContact O-N 2.81Å; V146-T149 PolarHBondContact O-OG1 2.98Å; V146-I150 HydrophobicContact CG1-CD1 3.93Å; V146-I150 WeakPolarHBondContact O-CB 3.39Å; V146-I150 VanDerWaalsContact O-CG1 3.22Å; V146-I150 WeakPolarHBondContact O-CG1 3.49Å; V146-I150 PolarHBondContact O-N 3.01Å; V146-T182 HydrophobicContact CG1-CG2 4.15Å |
| 147 | Q | 56.7 | Low | 52 | Low | 35 Ų | 35 | 49.8 Ų | 49.8 | 16% | 0.164 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 170 | -77.3 | 167.3 | 11.1 | 0 | 0 | 112.6 | S143 L145 A151 F373 | S143-Q147 WeakPolarHBondContact O-CB 3.43Å; S143-Q147 WeakPolarHBondContact O-CG 3.39Å; S143-Q147 PolarHBondContact O-N 3.45Å; L145-Q147 VanDerWaalsContact C-N 3.27Å; L145-Q147 PolarHBondContact O-N 3.43Å; Q147-A151 WeakPolarHBondContact O-CB 3.38Å; Q147-A151 PolarHBondContact O-N 3.26Å; Q147-F373 HydrophobicContact CB-CZ 4.11Å |
| 148 | L | 58.9 | Low | 52.5 | Low | 77 Ų | 77 | 50.3 Ų | 50.3 | 40% | 0.403 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 174.4 | -116.4 | 77.9 | 0 | 0 | 0 | 112.8 | P106 N144 L145 I150 A151 H152 | P106-L148 HydrophobicContact CG-CD2 4.39Å; N144-L148 PolarHBondContact O-N 2.99Å; L145-L148 WeakPolarHBondContact O-CB 3.39Å; L145-L148 PolarHBondContact O-N 2.88Å; L145-L148 VanDerWaalsContact O-N 3.09Å; L148-I150 VanDerWaalsContact C-N 3.35Å; L148-A151 PolarHBondContact O-N 2.99Å; L148-H152 WeakPolarHBondContact O-CB 3.3Å; L148-H152 PolarHBondContact O-CD2 2.91Å; L148-H152 PolarHBondContact O-N 3.47Å |
| 149 | T | 59.1 | Low | 53 | Low | 10 Ų | 10 | 52 Ų | 52 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 175.3 | 47.3 | 0 | 0 | 0 | 0 | 111.5 | P106 V109 L145 V146 Y153 | P106-T149 HydrophobicContact CB-CG2 3.45Å; P106-T149 VanDerWaalsContact CB-CG2 3.45Å; V109-T149 HydrophobicContact CB-CG2 4.41Å; V109-T149 HydrophobicContact CG1-CG2 4.48Å; L145-T149 PolarHBondContact O-N 2.68Å; L145-T149 PolarHBondContact O-OG1 2.94Å; V146-T149 WeakPolarHBondContact CA-OG1 3.16Å; V146-T149 PolarHBondContact O-N 2.81Å; V146-T149 PolarHBondContact O-OG1 2.98Å; T149-Y153 VanDerWaalsContact O-CB 3.24Å; T149-Y153 WeakPolarHBondContact O-CB 3.47Å; T149-Y153 PolarHBondContact O-N 3.5Å |
| 150 | I | 58.5 | Low | 53.2 | Low | 11 Ų | 11 | 51.5 Ų | 51.5 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 172.5 | -70.2 | 169.1 | 0 | 0 | 0 | 110.7 | V146 L148 Y153 L154 L174 L177 L178 L256 | V146-I150 HydrophobicContact CG1-CD1 3.93Å; V146-I150 WeakPolarHBondContact O-CB 3.39Å; V146-I150 VanDerWaalsContact O-CG1 3.22Å; V146-I150 WeakPolarHBondContact O-CG1 3.49Å; V146-I150 PolarHBondContact O-N 3.01Å; L148-I150 VanDerWaalsContact C-N 3.35Å; I150-Y153 PolarHBondContact O-N 3.28Å; I150-L154 HydrophobicContact CG2-CD1 3.83Å; I150-L154 HydrophobicContact CG2-CG 4.41Å; I150-L154 WeakPolarHBondContact O-CB 3.38Å; I150-L154 WeakPolarHBondContact O-CD1 3.38Å; I150-L154 WeakPolarHBondContact O-CG 3.45Å; I150-L154 PolarHBondContact O-N 3.47Å; I150-L174 HydrophobicContact CG2-CD2 4.19Å; I150-L177 HydrophobicContact CD1-CB 4.47Å; I150-L177 HydrophobicContact CG1-CB 4.3Å; I150-L177 HydrophobicContact CG1-CD2 3.87Å; I150-L178 HydrophobicContact CD1-CD2 3.84Å; I150-L178 HydrophobicContact CD1-CG 4.32Å; I150-L256 HydrophobicContact CG2-CD1 4.07Å |
| 151 | A | 58.9 | Low | 53.5 | Low | 15 Ų | 15 | 49.9 Ų | 49.9 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q147 L148 L154 Q155 F373 | Q147-A151 WeakPolarHBondContact O-CB 3.38Å; Q147-A151 PolarHBondContact O-N 3.26Å; L148-A151 PolarHBondContact O-N 2.99Å; A151-L154 PolarHBondContact O-N 2.96Å; A151-Q155 VanDerWaalsContact O-CB 3.31Å; A151-Q155 WeakPolarHBondContact O-CB 3.42Å; A151-Q155 PolarHBondContact O-N 2.92Å; A151-F373 HydrophobicContact CB-CD2 4.49Å; A151-F373 HydrophobicContact CB-CE2 4.06Å |
| 152 | H | 57.9 | Low | 53.4 | Low | 40 Ų | 40 | 55 Ų | 55 | 19% | 0.185 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 175.8 | -75.5 | -57.5 | 0 | 0 | 0 | 112.4 | A110 L148 L154 Q155 Q156 | A110-H152 HydrophobicContact CB-CB 4.37Å; L148-H152 WeakPolarHBondContact O-CB 3.3Å; L148-H152 PolarHBondContact O-CD2 2.91Å; L148-H152 PolarHBondContact O-N 3.47Å; H152-L154 VanDerWaalsContact C-N 3.35Å; H152-L154 PolarHBondContact O-N 3.47Å; H152-Q155 PolarHBondContact ND1-OE1 2.98Å; H152-Q155 WeakPolarHBondContact O-CB 3.39Å; H152-Q155 PolarHBondContact O-N 3.08Å; H152-Q155 VanDerWaalsContact O-N 3.16Å; H152-Q156 WeakPolarHBondContact O-CB 3.26Å; H152-Q156 PolarHBondContact O-N 3.44Å |
| 153 | Y | 61.2 | Low | 52.9 | Low | 1 Ų | 1 | 56.8 Ų | 56.8 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 174.8 | -175.8 | -97.3 | 0 | 0 | 0 | 111.7 | A110 L113 H114 T149 I150 Q156 C157 L173 L174 L177 | A110-Y153 HydrophobicContact CB-CD2 4.41Å; L113-Y153 HydrophobicContact CB-CD2 4.26Å; L113-Y153 HydrophobicContact CB-CE2 4.11Å; H114-Y153 HydrophobicContact CB-CE2 4.08Å; T149-Y153 VanDerWaalsContact O-CB 3.24Å; T149-Y153 WeakPolarHBondContact O-CB 3.47Å; T149-Y153 PolarHBondContact O-N 3.5Å; I150-Y153 PolarHBondContact O-N 3.28Å; Y153-Q156 PolarHBondContact O-N 3.45Å; Y153-C157 WeakPolarHBondContact O-CB 3.32Å; Y153-C157 PolarHBondContact O-N 2.96Å; Y153-C157 PolarHBondContact O-SG 2.64Å; Y153-L173 HydrophobicContact CE1-CD2 4.12Å; Y153-L173 HydrophobicContact CE2-CD2 4.09Å; Y153-L174 HydrophobicContact CD1-CD1 4.44Å; Y153-L174 HydrophobicContact CD1-CD2 3.98Å; Y153-L174 HydrophobicContact CD1-CG 4.06Å; Y153-L174 HydrophobicContact CE1-CD1 4.26Å; Y153-L174 HydrophobicContact CE1-CD2 4.43Å; Y153-L174 HydrophobicContact CE1-CG 4.01Å; Y153-L177 HydrophobicContact CD1-CD1 4.2Å; Y153-L177 HydrophobicContact CG-CD1 4.46Å |
| 154 | L | 57.9 | Low | 52.5 | Low | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 171.1 | -71.1 | 165.2 | 0 | 0 | 0 | 112 | I150 A151 H152 Q156 C157 L158 L174 L256 | I150-L154 HydrophobicContact CG2-CD1 3.83Å; I150-L154 HydrophobicContact CG2-CG 4.41Å; I150-L154 WeakPolarHBondContact O-CB 3.38Å; I150-L154 WeakPolarHBondContact O-CD1 3.38Å; I150-L154 WeakPolarHBondContact O-CG 3.45Å; I150-L154 PolarHBondContact O-N 3.47Å; A151-L154 PolarHBondContact O-N 2.96Å; H152-L154 VanDerWaalsContact C-N 3.35Å; H152-L154 PolarHBondContact O-N 3.47Å; L154-Q156 VanDerWaalsContact C-N 3.33Å; L154-Q156 PolarHBondContact O-N 3.36Å; L154-C157 PolarHBondContact O-N 2.7Å; L154-L158 VanDerWaalsContact O-CB 3.24Å; L154-L158 WeakPolarHBondContact O-CB 3.34Å; L154-L158 VanDerWaalsContact O-CG 3.31Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 2.74Å; L154-L174 HydrophobicContact CD2-CD1 3.82Å; L154-L174 HydrophobicContact CD2-CD2 4.04Å; L154-L174 HydrophobicContact CG-CD2 4.2Å; L154-L256 HydrophobicContact CD1-CD1 3.59Å; L154-L256 HydrophobicContact CD2-CD1 4Å; L154-L256 HydrophobicContact CG-CD1 4.26Å |
| 155 | Q | 61.2 | Low | 52.2 | Low | 59 Ų | 59 | 59.4 Ų | 59.4 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 177.7 | -168.5 | 178.4 | 5.2 | 0 | 0 | 112.1 | A151 H152 L158 H159 F378 | A151-Q155 VanDerWaalsContact O-CB 3.31Å; A151-Q155 WeakPolarHBondContact O-CB 3.42Å; A151-Q155 PolarHBondContact O-N 2.92Å; H152-Q155 PolarHBondContact ND1-OE1 2.98Å; H152-Q155 WeakPolarHBondContact O-CB 3.39Å; H152-Q155 PolarHBondContact O-N 3.08Å; H152-Q155 VanDerWaalsContact O-N 3.16Å; Q155-L158 WeakPolarHBondContact O-CB 3.29Å; Q155-L158 PolarHBondContact O-N 2.9Å; Q155-H159 WeakPolarHBondContact O-CB 3.21Å; Q155-H159 PolarHBondContact O-N 3.36Å; Q155-F378 HydrophobicContact CB-CE1 4.16Å; Q155-F378 HydrophobicContact CG-CD1 4.09Å; Q155-F378 HydrophobicContact CG-CE1 4.19Å |
| 156 | Q | 59.3 | Low | 52.3 | Low | 53 Ų | 53 | 59.2 Ų | 59.2 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -75.2 | -38.9 | 179.5 | -159.6 | 158.8 | 36 | 0 | 0 | 111.8 | E111 H152 Y153 L154 L158 | E111-Q156 VanDerWaalsContact CG-NE2 3.26Å; H152-Q156 WeakPolarHBondContact O-CB 3.26Å; H152-Q156 PolarHBondContact O-N 3.44Å; Y153-Q156 PolarHBondContact O-N 3.45Å; L154-Q156 VanDerWaalsContact C-N 3.33Å; L154-Q156 PolarHBondContact O-N 3.36Å; Q156-L158 VanDerWaalsContact C-N 3.35Å |
| 157 | C | 52.6 | Low | 52.3 | Low | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.014 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 169.1 | -67.4 | 0 | 0 | 0 | 0 | 112.3 | Y153 L154 V161 Y166 | Y153-C157 WeakPolarHBondContact O-CB 3.32Å; Y153-C157 PolarHBondContact O-N 2.96Å; Y153-C157 PolarHBondContact O-SG 2.64Å; L154-C157 PolarHBondContact O-N 2.7Å; C157-V161 WeakPolarHBondContact O-CG2 3.37Å; C157-V161 PolarHBondContact O-N 3.38Å; C157-Y166 HydrophobicContact CB-CE1 3.98Å |
| 158 | L | 48.9 | Very low | 52.2 | Low | 63 Ų | 63 | 64.8 Ų | 64.8 | 33% | 0.33 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.7 | -48.6 | 174.2 | -92.6 | 168.6 | 0 | 0 | 0 | 112.6 | L154 Q155 Q156 N160 V161 I263 | L154-L158 VanDerWaalsContact O-CB 3.24Å; L154-L158 WeakPolarHBondContact O-CB 3.34Å; L154-L158 VanDerWaalsContact O-CG 3.31Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 2.74Å; Q155-L158 WeakPolarHBondContact O-CB 3.29Å; Q155-L158 PolarHBondContact O-N 2.9Å; Q156-L158 VanDerWaalsContact C-N 3.35Å; L158-N160 PolarHBondContact O-N 3.12Å; L158-V161 PolarHBondContact O-N 2.98Å; L158-V161 VanDerWaalsContact O-N 3.12Å; L158-I263 HydrophobicContact CD1-CD1 3.66Å; L158-I263 HydrophobicContact CD1-CG1 3.91Å; L158-I263 HydrophobicContact CD2-CB 4.36Å; L158-I263 HydrophobicContact CD2-CD1 4.21Å; L158-I263 HydrophobicContact CD2-CG1 3.97Å; L158-I263 HydrophobicContact CD2-CG2 3.62Å; L158-I263 HydrophobicContact CG-CD1 4Å; L158-I263 HydrophobicContact CG-CG1 4.27Å; L158-I263 HydrophobicContact CG-CG2 4.46Å |
| 159 | H | 48.2 | Very low | 52 | Low | 168 Ų | 168 | 63.6 Ų | 63.6 | 78% | 0.778 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.2 | -29.2 | -172.5 | -155.3 | -93.5 | 0 | 0 | 0 | 112.4 | Q155 | Q155-H159 WeakPolarHBondContact O-CB 3.21Å; Q155-H159 PolarHBondContact O-N 3.36Å |
| 160 | N | 46.1 | Very low | 51.9 | Low | 113 Ų | 113 | 63.8 Ų | 63.8 | 60% | 0.604 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -88.8 | -10.8 | 178.2 | -76.2 | -20.2 | 0 | 0 | 0 | 114.8 | L158 | L158-N160 PolarHBondContact O-N 3.12Å |
| 161 | V | 42.5 | Very low | 51.9 | Low | 71 Ų | 71 | 64.3 Ų | 64.3 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | trans | -128 | 88.7 | -172.1 | -173.2 | 0 | 0 | 0 | 0 | 112.6 | C157 L158 C163 | C157-V161 WeakPolarHBondContact O-CG2 3.37Å; C157-V161 PolarHBondContact O-N 3.38Å; L158-V161 PolarHBondContact O-N 2.98Å; L158-V161 VanDerWaalsContact O-N 3.12Å; V161-C163 VanDerWaalsContact CG1-O 3.3Å; V161-C163 WeakPolarHBondContact CG1-O 3.29Å; V161-C163 PolarHBondContact O-N 3.25Å | ||
| 162 | K | 37.2 | Very low | 51.9 | Low | 207 Ų | 207 | 64.7 Ų | 64.7 | 90% | 0.9 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -76.6 | 96.9 | 157.1 | -75.4 | -176.1 | 178.7 | 176.1 | 0 | 109.5 | ||
| 163 | C | 34.2 | Very low | 52.1 | Low | 86 Ų | 86 | 63.2 Ų | 63.2 | 58% | 0.581 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 79.5 | 154.6 | 172.6 | -53.9 | 0 | 0 | 0 | 0 | 117.4 | V161 | V161-C163 VanDerWaalsContact CG1-O 3.3Å; V161-C163 WeakPolarHBondContact CG1-O 3.29Å; V161-C163 PolarHBondContact O-N 3.25Å |
| 164 | A | 41.2 | Very low | 52.1 | Low | 89 Ų | 89 | 63.1 Ų | 63.1 | 74% | 0.736 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 75.6 | 136 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 165 | M | 47.1 | Very low | 52.2 | Low | 102 Ų | 102 | 63 Ų | 63 | 50% | 0.502 | 33% | 0.334 | S | S | . | . | trans | -41 | 139.5 | -173.2 | -64.8 | -67.8 | 176.3 | 0 | 0 | 115.8 | L269 A277 | M165-L269 HydrophobicContact CE-CD1 4.17Å; M165-A277 HydrophobicContact CE-CB 4.13Å; M165-A277 HydrophobicContact SD-CB 4.32Å | ||
| 166 | Y | 55.5 | Low | 52.1 | Low | 35 Ų | 35 | 60.6 Ų | 60.6 | 14% | 0.137 | 32% | 0.323 | C | S | . | . | trans | -49.4 | 141.2 | 168.9 | -67.9 | -82.5 | 0 | 0 | 0 | 111.5 | C157 E170 L171 W264 | C157-Y166 HydrophobicContact CB-CE1 3.98Å; Y166-E170 HydrophobicContact CD1-CB 4.24Å; Y166-L171 HydrophobicContact CD2-CD2 4.05Å; Y166-L171 HydrophobicContact CG-CD2 4.08Å; Y166-W264 AromaticContact CD2-CZ2 3.86Å; Y166-W264 HydrophobicContact CD2-CZ2 3.86Å; Y166-W264 AromaticContact CD2-NE1 3.69Å; Y166-W264 HydrophobicContact CE2-CZ2 4.02Å; Y166-W264 AromaticContact CE2-NE1 3.49Å | ||
| 167 | S | 55.5 | Low | 52.1 | Low | 40 Ų | 40 | 58.2 Ų | 58.2 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | trans | -66.2 | 148.6 | 172.4 | 63.7 | 0 | 0 | 0 | 0 | 110.6 | K117 S169 E170 L171 | K117-S167 WeakPolarHBondContact CE-OG 3.48Å; S167-S169 PolarHBondContact O-N 3.04Å; S167-S169 VanDerWaalsContact O-N 3.08Å; S167-S169 PolarHBondContact OG-OG 3.3Å; S167-S169 VanDerWaalsContact OG-OG 3.06Å; S167-E170 WeakPolarHBondContact CB-OE2 3.4Å; S167-E170 PolarHBondContact N-OE2 3.49Å; S167-E170 WeakPolarHBondContact O-CB 3.43Å; S167-E170 PolarHBondContact O-N 3.49Å; S167-E170 VanDerWaalsContact OG-CD 3.31Å; S167-E170 PolarHBondContact OG-OE2 2.63Å; S167-L171 PolarHBondContact O-N 3.49Å; S167-L171 VanDerWaalsContact O-N 3.14Å | ||
| 168 | K | 53.5 | Low | 52.5 | Low | 115 Ų | 115 | 58.1 Ų | 58.1 | 50% | 0.5 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.3 | -29.4 | 178 | -179.5 | 163.3 | 174.5 | 132.2 | 0 | 112.2 | M172 D285 | K168-M172 HydrophobicContact CG-CG 3.97Å; K168-M172 VanDerWaalsContact O-CB 3.31Å; K168-M172 WeakPolarHBondContact O-CB 3.4Å; K168-M172 WeakPolarHBondContact O-CG 3.05Å; K168-M172 PolarHBondContact O-N 2.79Å; K168-D285 WeakPolarHBondContact CE-OD1 3.46Å; K168-D285 IonicContact NZ-OD1 3.92Å; K168-D285 PolarHBondContact NZ-OD1 2.98Å |
| 169 | S | 54.6 | Low | 52.8 | Low | 52 Ų | 52 | 55.7 Ų | 55.7 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 171.7 | 32.7 | 0 | 0 | 0 | 0 | 113.5 | S167 L173 | S167-S169 PolarHBondContact O-N 3.04Å; S167-S169 VanDerWaalsContact O-N 3.08Å; S167-S169 PolarHBondContact OG-OG 3.3Å; S167-S169 VanDerWaalsContact OG-OG 3.06Å; S169-L173 VanDerWaalsContact O-CB 3.31Å; S169-L173 WeakPolarHBondContact O-CB 3.48Å; S169-L173 PolarHBondContact O-N 2.91Å |
| 170 | E | 57.6 | Low | 53.1 | Low | 13 Ų | 13 | 51 Ų | 51 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 174.6 | -79.2 | 148.8 | 155.6 | 0 | 0 | 112.5 | K117 Y166 S167 L173 L174 | K117-E170 HydrophobicContact CD-CG 3.93Å; K117-E170 IonicContact NZ-OE1 3.85Å; K117-E170 PolarHBondContact NZ-OE1 2.97Å; K117-E170 IonicContact NZ-OE2 3.84Å; K117-E170 PolarHBondContact NZ-OE2 3.27Å; Y166-E170 HydrophobicContact CD1-CB 4.24Å; S167-E170 WeakPolarHBondContact CB-OE2 3.4Å; S167-E170 PolarHBondContact N-OE2 3.49Å; S167-E170 WeakPolarHBondContact O-CB 3.43Å; S167-E170 PolarHBondContact O-N 3.49Å; S167-E170 VanDerWaalsContact OG-CD 3.31Å; S167-E170 PolarHBondContact OG-OE2 2.63Å; E170-L173 PolarHBondContact O-N 3.28Å; E170-L174 WeakPolarHBondContact O-CB 3.47Å; E170-L174 PolarHBondContact O-N 3.38Å |
| 171 | L | 59.8 | Low | 53.5 | Low | 22 Ų | 22 | 45.7 Ų | 45.7 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.8 | -40.8 | 177.8 | -65.9 | 177.6 | 0 | 0 | 0 | 111.3 | Y166 S167 L173 L174 V175 M260 F281 | Y166-L171 HydrophobicContact CD2-CD2 4.05Å; Y166-L171 HydrophobicContact CG-CD2 4.08Å; S167-L171 PolarHBondContact O-N 3.49Å; S167-L171 VanDerWaalsContact O-N 3.14Å; L171-L173 VanDerWaalsContact C-N 3.33Å; L171-L173 PolarHBondContact O-N 3.12Å; L171-L174 PolarHBondContact O-N 3.21Å; L171-V175 WeakPolarHBondContact O-CB 3.3Å; L171-V175 VanDerWaalsContact O-CG2 3.29Å; L171-V175 WeakPolarHBondContact O-CG2 3.4Å; L171-V175 PolarHBondContact O-N 3.44Å; L171-M260 HydrophobicContact CD2-CE 3.51Å; L171-F281 HydrophobicContact CB-CE2 4.43Å; L171-F281 HydrophobicContact CD2-CD2 4.15Å; L171-F281 HydrophobicContact CD2-CE2 4.17Å |
| 172 | M | 58.3 | Low | 54.3 | Low | 24 Ų | 24 | 42.8 Ų | 42.8 | 12% | 0.118 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.7 | -35.1 | 173.8 | -66 | -93.1 | 68.5 | 0 | 0 | 112.2 | K168 V175 H176 D285 Y289 | K168-M172 HydrophobicContact CG-CG 3.97Å; K168-M172 VanDerWaalsContact O-CB 3.31Å; K168-M172 WeakPolarHBondContact O-CB 3.4Å; K168-M172 WeakPolarHBondContact O-CG 3.05Å; K168-M172 PolarHBondContact O-N 2.79Å; M172-V175 HydrophobicContact CE-CB 4.09Å; M172-V175 HydrophobicContact CE-CG1 3.95Å; M172-V175 HydrophobicContact CE-CG2 4.41Å; M172-V175 PolarHBondContact O-N 3.38Å; M172-H176 PolarHBondContact O-N 2.97Å; M172-H176 PolarHBondContact O-ND1 3.45Å; M172-D285 HydrophobicContact CE-CB 4.38Å; M172-D285 VanDerWaalsContact CE-O 3.23Å; M172-D285 WeakPolarHBondContact CE-O 3.36Å; M172-Y289 HydrophobicContact CE-CD1 3.81Å; M172-Y289 HydrophobicContact CE-CD2 4.5Å; M172-Y289 HydrophobicContact CE-CE1 4.23Å; M172-Y289 HydrophobicContact CE-CG 3.96Å; M172-Y289 HydrophobicContact SD-CD1 4.41Å; M172-Y289 HydrophobicContact SD-CD2 4.3Å; M172-Y289 HydrophobicContact SD-CE1 4.44Å; M172-Y289 HydrophobicContact SD-CE2 4.31Å; M172-Y289 HydrophobicContact SD-CG 4.36Å |
| 173 | L | 61.7 | Low | 55.5 | Low | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.3 | -42.2 | 174.4 | -153.8 | 147.9 | 0 | 0 | 0 | 111.1 | L113 V123 Y153 S169 E170 L171 L177 | L113-L173 HydrophobicContact CB-CD2 4.23Å; L113-L173 HydrophobicContact CD2-CD2 4.47Å; V123-L173 HydrophobicContact CB-CD1 4.43Å; V123-L173 HydrophobicContact CG1-CD1 3.78Å; V123-L173 HydrophobicContact CG1-CD2 4.43Å; V123-L173 HydrophobicContact CG1-CG 3.65Å; V123-L173 HydrophobicContact CG2-CD1 3.78Å; Y153-L173 HydrophobicContact CE1-CD2 4.12Å; Y153-L173 HydrophobicContact CE2-CD2 4.09Å; S169-L173 VanDerWaalsContact O-CB 3.31Å; S169-L173 WeakPolarHBondContact O-CB 3.48Å; S169-L173 PolarHBondContact O-N 2.91Å; E170-L173 PolarHBondContact O-N 3.28Å; L171-L173 VanDerWaalsContact C-N 3.33Å; L171-L173 PolarHBondContact O-N 3.12Å; L173-L177 HydrophobicContact CD2-CD1 3.7Å; L173-L177 HydrophobicContact CD2-CG 4.45Å; L173-L177 VanDerWaalsContact O-CB 3.31Å; L173-L177 WeakPolarHBondContact O-CB 3.37Å; L173-L177 PolarHBondContact O-N 2.94Å |
| 174 | L | 62.2 | Low | 57 | Low | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.5 | -34.1 | 173.3 | -81.7 | 158.2 | 0 | 0 | 0 | 113.7 | I150 Y153 L154 E170 L171 L177 L178 L256 M260 | I150-L174 HydrophobicContact CG2-CD2 4.19Å; Y153-L174 HydrophobicContact CD1-CD1 4.44Å; Y153-L174 HydrophobicContact CD1-CD2 3.98Å; Y153-L174 HydrophobicContact CD1-CG 4.06Å; Y153-L174 HydrophobicContact CE1-CD1 4.26Å; Y153-L174 HydrophobicContact CE1-CD2 4.43Å; Y153-L174 HydrophobicContact CE1-CG 4.01Å; L154-L174 HydrophobicContact CD2-CD1 3.82Å; L154-L174 HydrophobicContact CD2-CD2 4.04Å; L154-L174 HydrophobicContact CG-CD2 4.2Å; E170-L174 WeakPolarHBondContact O-CB 3.47Å; E170-L174 PolarHBondContact O-N 3.38Å; L171-L174 PolarHBondContact O-N 3.21Å; L174-L177 HydrophobicContact CD2-CD1 4.14Å; L174-L177 HydrophobicContact CG-CD1 4.47Å; L174-L177 WeakPolarHBondContact O-CB 3.39Å; L174-L178 PolarHBondContact O-N 2.93Å; L174-L256 HydrophobicContact CB-CD2 4.34Å; L174-L256 HydrophobicContact CD2-CD1 4.1Å; L174-M260 HydrophobicContact CD1-CE 3.83Å |
| 175 | V | 60.1 | Low | 58.3 | Low | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.6 | -47.8 | 174.3 | 163.7 | 0 | 0 | 0 | 0 | 110.7 | L171 M172 L177 L178 I179 F281 F286 | L171-V175 WeakPolarHBondContact O-CB 3.3Å; L171-V175 VanDerWaalsContact O-CG2 3.29Å; L171-V175 WeakPolarHBondContact O-CG2 3.4Å; L171-V175 PolarHBondContact O-N 3.44Å; M172-V175 HydrophobicContact CE-CB 4.09Å; M172-V175 HydrophobicContact CE-CG1 3.95Å; M172-V175 HydrophobicContact CE-CG2 4.41Å; M172-V175 PolarHBondContact O-N 3.38Å; V175-L177 VanDerWaalsContact C-N 3.3Å; V175-L177 PolarHBondContact O-N 3.45Å; V175-L178 PolarHBondContact O-N 3.39Å; V175-I179 HydrophobicContact CG1-CD1 3.42Å; V175-I179 VanDerWaalsContact CG1-CD1 3.42Å; V175-I179 HydrophobicContact CG1-CG1 4.38Å; V175-I179 WeakPolarHBondContact O-CD1 3.45Å; V175-I179 VanDerWaalsContact O-CG1 3.23Å; V175-I179 WeakPolarHBondContact O-CG1 3.4Å; V175-I179 PolarHBondContact O-N 2.92Å; V175-F281 HydrophobicContact CG2-CE2 3.57Å; V175-F281 HydrophobicContact CG2-CZ 3.66Å; V175-F286 HydrophobicContact CG1-CD2 4.42Å |
| 176 | H | 58.4 | Low | 59.2 | Low | 10 Ų | 10 | 31.7 Ų | 31.7 | 5% | 0.046 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.5 | -37.1 | 172.9 | -67.2 | 144.7 | 0 | 0 | 0 | 112.3 | E124 F127 M172 L178 I179 F180 Y289 | E124-H176 IonicContact OE1-CE1 2.7Å; E124-H176 PolarHBondContact OE1-CE1 3.31Å; E124-H176 IonicContact OE1-ND1 3.78Å; E124-H176 IonicContact OE1-NE2 3Å; F127-H176 VanDerWaalsContact CE1-O 3.32Å; F127-H176 WeakPolarHBondContact CE1-O 3.44Å; M172-H176 PolarHBondContact O-N 2.97Å; M172-H176 PolarHBondContact O-ND1 3.45Å; H176-L178 VanDerWaalsContact C-N 3.3Å; H176-L178 PolarHBondContact O-N 3.13Å; H176-I179 PolarHBondContact O-N 2.75Å; H176-F180 HydrophobicContact CB-CD2 4.44Å; H176-F180 PolarHBondContact O-N 3.09Å; H176-F180 VanDerWaalsContact O-N 3.15Å; H176-Y289 AromaticContact NE2-CE1 3.43Å; H176-Y289 WeakPolarHBondContact NE2-CE1 3.49Å; H176-Y289 AromaticContact NE2-CZ 4Å |
| 177 | L | 59.9 | Low | 60 | Low | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -52.8 | -45.2 | 172.2 | -99.8 | 154.9 | 0 | 0 | 0 | 112.2 | L113 F127 I150 Y153 L173 L174 V175 G181 | L113-L177 HydrophobicContact CD1-CD2 4.47Å; F127-L177 HydrophobicContact CD2-CD2 4.16Å; F127-L177 HydrophobicContact CD2-CG 4.39Å; F127-L177 WeakPolarHBondContact CE1-O 3.48Å; F127-L177 HydrophobicContact CE2-CD2 3.28Å; F127-L177 HydrophobicContact CE2-CG 3.86Å; F127-L177 VanDerWaalsContact CZ-CA 3.44Å; F127-L177 HydrophobicContact CZ-CB 4.18Å; F127-L177 HydrophobicContact CZ-CD2 3.55Å; F127-L177 HydrophobicContact CZ-CG 3.99Å; F127-L177 VanDerWaalsContact CZ-O 3.28Å; F127-L177 WeakPolarHBondContact CZ-O 3.5Å; I150-L177 HydrophobicContact CD1-CB 4.47Å; I150-L177 HydrophobicContact CG1-CB 4.3Å; I150-L177 HydrophobicContact CG1-CD2 3.87Å; Y153-L177 HydrophobicContact CD1-CD1 4.2Å; Y153-L177 HydrophobicContact CG-CD1 4.46Å; L173-L177 HydrophobicContact CD2-CD1 3.7Å; L173-L177 HydrophobicContact CD2-CG 4.45Å; L173-L177 VanDerWaalsContact O-CB 3.31Å; L173-L177 WeakPolarHBondContact O-CB 3.37Å; L173-L177 PolarHBondContact O-N 2.94Å; L174-L177 HydrophobicContact CD2-CD1 4.14Å; L174-L177 HydrophobicContact CG-CD1 4.47Å; L174-L177 WeakPolarHBondContact O-CB 3.39Å; V175-L177 VanDerWaalsContact C-N 3.3Å; V175-L177 PolarHBondContact O-N 3.45Å; L177-G181 WeakPolarHBondContact O-CA 3.2Å; L177-G181 PolarHBondContact O-N 3.34Å |
| 178 | L | 60.3 | Low | 61.1 | Low | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -74 | -43 | 178.6 | -74.5 | 170.4 | 0 | 0 | 0 | 113.1 | I150 L174 V175 H176 T182 V185 V253 L256 | I150-L178 HydrophobicContact CD1-CD2 3.84Å; I150-L178 HydrophobicContact CD1-CG 4.32Å; L174-L178 PolarHBondContact O-N 2.93Å; V175-L178 PolarHBondContact O-N 3.39Å; H176-L178 VanDerWaalsContact C-N 3.3Å; H176-L178 PolarHBondContact O-N 3.13Å; L178-T182 PolarHBondContact O-N 3.28Å; L178-T182 VanDerWaalsContact O-N 3.13Å; L178-T182 PolarHBondContact O-OG1 2.9Å; L178-V185 HydrophobicContact CB-CG2 4.45Å; L178-V253 HydrophobicContact CD1-CG2 4.04Å; L178-L256 HydrophobicContact CD1-CB 4.15Å; L178-L256 HydrophobicContact CD1-CD2 3.36Å; L178-L256 HydrophobicContact CD1-CG 4.36Å; L178-L256 HydrophobicContact CG-CD2 4.3Å |
| 179 | I | 56.1 | Low | 62.1 | Low | 12 Ų | 12 | 26 Ų | 26 | 6% | 0.062 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.7 | -52.5 | -174.1 | -69.7 | 159.4 | 0 | 0 | 0 | 112 | V175 H176 V185 F286 Y297 | V175-I179 HydrophobicContact CG1-CD1 3.42Å; V175-I179 VanDerWaalsContact CG1-CD1 3.42Å; V175-I179 HydrophobicContact CG1-CG1 4.38Å; V175-I179 WeakPolarHBondContact O-CD1 3.45Å; V175-I179 VanDerWaalsContact O-CG1 3.23Å; V175-I179 WeakPolarHBondContact O-CG1 3.4Å; V175-I179 PolarHBondContact O-N 2.92Å; H176-I179 PolarHBondContact O-N 2.75Å; I179-V185 HydrophobicContact CB-CG1 4.38Å; I179-V185 HydrophobicContact CG1-CG1 3.91Å; I179-F286 HydrophobicContact CG1-CE2 4.44Å; I179-Y297 HydrophobicContact CB-CE1 4.43Å; I179-Y297 HydrophobicContact CD1-CE1 3.48Å; I179-Y297 VanDerWaalsContact CD1-CE1 3.48Å; I179-Y297 WeakPolarHBondContact CD1-OH 3.23Å; I179-Y297 HydrophobicContact CG1-CE1 3.83Å; I179-Y297 HydrophobicContact CG2-CD1 3.76Å; I179-Y297 HydrophobicContact CG2-CE1 3.69Å |
| 180 | F | 53.8 | Low | 62.9 | Low | 70 Ų | 70 | 24.5 Ų | 24.5 | 31% | 0.307 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -86.6 | -17.7 | -178.1 | -60.5 | -74.7 | 0 | 0 | 0 | 112.7 | F127 C131 H176 | F127-F180 HydrophobicContact CD1-CB 3.88Å; F127-F180 HydrophobicContact CD1-CD2 4.34Å; F127-F180 HydrophobicContact CE1-CB 3.84Å; C131-F180 WeakPolarHBondContact CB-O 3.49Å; H176-F180 HydrophobicContact CB-CD2 4.44Å; H176-F180 PolarHBondContact O-N 3.09Å; H176-F180 VanDerWaalsContact O-N 3.15Å |
| 181 | G | 53.8 | Low | 63.7 | Low | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -88.4 | -20.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | C131 L177 | C131-G181 VanDerWaalsContact SG-CA 3.54Å; L177-G181 WeakPolarHBondContact O-CA 3.2Å; L177-G181 PolarHBondContact O-N 3.34Å |
| 182 | T | 60.3 | Low | 64.4 | Low | 10 Ų | 10 | 24.5 Ų | 24.5 | 6% | 0.061 | 14% | 0.137 | C | C | . | . | trans | -134.7 | 121.8 | -177.2 | 58.9 | 0 | 0 | 0 | 0 | 113 | V146 L178 D184 V185 S252 | V146-T182 HydrophobicContact CG1-CG2 4.15Å; L178-T182 PolarHBondContact O-N 3.28Å; L178-T182 VanDerWaalsContact O-N 3.13Å; L178-T182 PolarHBondContact O-OG1 2.9Å; T182-D184 PolarHBondContact O-N 3.21Å; T182-V185 PolarHBondContact O-N 3.47Å; T182-V185 VanDerWaalsContact OG1-CG2 3.3Å; T182-V185 WeakPolarHBondContact OG1-CG2 3.12Å; T182-S252 PolarHBondContact OG1-OG 3.13Å | ||
| 183 | P | 61.1 | Low | 65 | Low | 85 Ų | 85 | 23.4 Ų | 23.4 | 55% | 0.552 | 13% | 0.132 | S | C | * | . | H | α-helix | trans | -65.9 | -27.2 | -174.2 | 27.1 | -34.7 | 0 | 0 | 0 | 113 | V185 F186 S187 | P183-V185 PolarHBondContact O-N 3.28Å; P183-F186 PolarHBondContact O-N 2.96Å; P183-S187 PolarHBondContact O-N 3.36Å; P183-S187 VanDerWaalsContact O-N 3.07Å |
| 184 | D | 66.1 | Low | 65.5 | Low | 77 Ų | 77 | 28.6 Ų | 28.6 | 41% | 0.412 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -55.6 | -36.5 | 176.2 | -46.6 | -10.3 | 0 | 0 | 0 | 112.1 | T182 S187 F188 P250 | T182-D184 PolarHBondContact O-N 3.21Å; D184-S187 PolarHBondContact O-N 2.94Å; D184-S187 PolarHBondContact O-OG 3.01Å; D184-F188 WeakPolarHBondContact O-CB 3.38Å; D184-F188 PolarHBondContact O-N 3.35Å; D184-F188 VanDerWaalsContact O-N 3.09Å; D184-P250 HydrophobicContact CB-CB 4.27Å |
| 185 | V | 68.4 | Low | 65.9 | Low | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.9 | -42.7 | 179.2 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | L178 I179 T182 P183 L189 P250 S252 V253 F286 | L178-V185 HydrophobicContact CB-CG2 4.45Å; I179-V185 HydrophobicContact CB-CG1 4.38Å; I179-V185 HydrophobicContact CG1-CG1 3.91Å; T182-V185 PolarHBondContact O-N 3.47Å; T182-V185 VanDerWaalsContact OG1-CG2 3.3Å; T182-V185 WeakPolarHBondContact OG1-CG2 3.12Å; P183-V185 PolarHBondContact O-N 3.28Å; V185-L189 HydrophobicContact CG1-CD1 3.92Å; V185-L189 WeakPolarHBondContact O-CB 3.42Å; V185-L189 WeakPolarHBondContact O-CG 3.49Å; V185-L189 PolarHBondContact O-N 2.88Å; V185-L189 VanDerWaalsContact O-N 3.07Å; V185-P250 HydrophobicContact CB-CB 4.48Å; V185-P250 HydrophobicContact CB-CG 4.34Å; V185-P250 HydrophobicContact CG2-CB 3.61Å; V185-P250 HydrophobicContact CG2-CG 3.87Å; V185-S252 WeakPolarHBondContact CG2-OG 3.45Å; V185-V253 HydrophobicContact CG2-CG2 3.89Å; V185-F286 HydrophobicContact CG1-CE2 3.7Å; V185-F286 HydrophobicContact CG1-CZ 3.91Å |
| 186 | F | 67 | Low | 66.4 | Low | 89 Ų | 89 | 31 Ų | 31 | 39% | 0.39 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66 | -41.3 | 176.6 | 171.7 | -108.7 | 0 | 0 | 0 | 111.9 | P183 L189 S190 Y297 I299 | P183-F186 PolarHBondContact O-N 2.96Å; F186-L189 PolarHBondContact O-N 3.37Å; F186-S190 VanDerWaalsContact O-CB 3.26Å; F186-S190 WeakPolarHBondContact O-CB 3.34Å; F186-S190 PolarHBondContact O-N 3.16Å; F186-Y297 WeakPolarHBondContact CD2-O 3.39Å; F186-Y297 WeakPolarHBondContact CE2-O 3.48Å; F186-I299 HydrophobicContact CD2-CG1 4.45Å; F186-I299 HydrophobicContact CE2-CD1 4.4Å; F186-I299 HydrophobicContact CE2-CG1 3.73Å |
| 187 | S | 70.5 | Confident | 66.9 | Low | 67 Ų | 67 | 31.2 Ų | 31.2 | 47% | 0.469 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 179.4 | 70.4 | 0 | 0 | 0 | 0 | 112.2 | P183 D184 S191 | P183-S187 PolarHBondContact O-N 3.36Å; P183-S187 VanDerWaalsContact O-N 3.07Å; D184-S187 PolarHBondContact O-N 2.94Å; D184-S187 PolarHBondContact O-OG 3.01Å; S187-S191 WeakPolarHBondContact O-CB 3.48Å; S187-S191 PolarHBondContact O-N 2.64Å |
| 188 | F | 79.8 | Confident | 67.3 | Low | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.2 | -53.7 | 173.6 | 174.3 | -104.8 | 0 | 0 | 0 | 112.2 | D184 S190 S191 V192 N245 L248 F249 P250 F286 | D184-F188 WeakPolarHBondContact O-CB 3.38Å; D184-F188 PolarHBondContact O-N 3.35Å; D184-F188 VanDerWaalsContact O-N 3.09Å; F188-S190 VanDerWaalsContact C-N 3.34Å; F188-S190 PolarHBondContact O-N 3.17Å; F188-S191 PolarHBondContact O-N 3.26Å; F188-V192 HydrophobicContact CD1-CG2 4.45Å; F188-V192 HydrophobicContact CD2-CG2 4.13Å; F188-V192 HydrophobicContact CE1-CG2 4.05Å; F188-V192 HydrophobicContact CE2-CG2 3.72Å; F188-V192 HydrophobicContact CG-CG2 4.49Å; F188-V192 HydrophobicContact CZ-CG2 3.67Å; F188-V192 WeakPolarHBondContact O-CG2 3.18Å; F188-V192 PolarHBondContact O-N 2.93Å; F188-N245 HydrophobicContact CD2-CB 4.42Å; F188-N245 HydrophobicContact CE2-CB 3.98Å; F188-L248 HydrophobicContact CD2-CB 4.16Å; F188-L248 VanDerWaalsContact CD2-O 3.31Å; F188-L248 WeakPolarHBondContact CD2-O 3.46Å; F188-F249 HydrophobicContact CE1-CD2 4.03Å; F188-F249 HydrophobicContact CE1-CE2 4.21Å; F188-F249 HydrophobicContact CE2-CB 4.31Å; F188-F249 AromaticContact CE2-CD2 3.94Å; F188-F249 HydrophobicContact CE2-CD2 3.94Å; F188-F249 AromaticContact CZ-CD2 3.56Å; F188-F249 HydrophobicContact CZ-CD2 3.56Å; F188-F249 HydrophobicContact CZ-CE2 4.09Å; F188-P250 HydrophobicContact CB-CG 3.7Å; F188-P250 HydrophobicContact CD1-CG 4.03Å; F188-P250 HydrophobicContact CG-CG 3.95Å; F188-F286 HydrophobicContact CD1-CE1 4.47Å; F188-F286 HydrophobicContact CE1-CE1 4.29Å |
| 189 | L | 74.6 | Confident | 67.5 | Low | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | -177.4 | -71.1 | 173.5 | 0 | 0 | 0 | 111.7 | V185 F186 S191 V192 L193 F286 A290 Y297 | V185-L189 HydrophobicContact CG1-CD1 3.92Å; V185-L189 WeakPolarHBondContact O-CB 3.42Å; V185-L189 WeakPolarHBondContact O-CG 3.49Å; V185-L189 PolarHBondContact O-N 2.88Å; V185-L189 VanDerWaalsContact O-N 3.07Å; F186-L189 PolarHBondContact O-N 3.37Å; L189-S191 PolarHBondContact O-N 3.41Å; L189-V192 PolarHBondContact O-N 3.36Å; L189-L193 WeakPolarHBondContact O-CB 3.42Å; L189-L193 WeakPolarHBondContact O-CD1 3.34Å; L189-L193 WeakPolarHBondContact O-CG 3.41Å; L189-L193 PolarHBondContact O-N 3.32Å; L189-F286 HydrophobicContact CD1-CE2 4.13Å; L189-F286 HydrophobicContact CD1-CZ 4.31Å; L189-F286 HydrophobicContact CD2-CZ 4.2Å; L189-F286 HydrophobicContact CG-CZ 4.31Å; L189-A290 HydrophobicContact CD1-CB 4.05Å; L189-A290 HydrophobicContact CD2-CB 3.89Å; L189-Y297 HydrophobicContact CD1-CD1 3.71Å; L189-Y297 HydrophobicContact CD1-CE1 3.52Å |
| 190 | S | 71.3 | Confident | 68 | Low | 22 Ų | 22 | 40.5 Ų | 40.5 | 15% | 0.154 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 175.1 | -170.9 | 0 | 0 | 0 | 0 | 112.2 | F186 F188 Q194 | F186-S190 VanDerWaalsContact O-CB 3.26Å; F186-S190 WeakPolarHBondContact O-CB 3.34Å; F186-S190 PolarHBondContact O-N 3.16Å; F188-S190 VanDerWaalsContact C-N 3.34Å; F188-S190 PolarHBondContact O-N 3.17Å; S190-Q194 WeakPolarHBondContact O-CB 3.37Å; S190-Q194 VanDerWaalsContact O-CG 3.31Å; S190-Q194 WeakPolarHBondContact O-CG 3.27Å; S190-Q194 PolarHBondContact O-N 2.85Å |
| 191 | S | 73.6 | Confident | 68.5 | Low | 32 Ų | 32 | 41.4 Ų | 41.4 | 22% | 0.224 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.7 | -42 | 177.6 | -169 | 0 | 0 | 0 | 0 | 112.7 | S187 F188 L189 N195 N245 | S187-S191 WeakPolarHBondContact O-CB 3.48Å; S187-S191 PolarHBondContact O-N 2.64Å; F188-S191 PolarHBondContact O-N 3.26Å; L189-S191 PolarHBondContact O-N 3.41Å; S191-N195 WeakPolarHBondContact O-CB 3.08Å; S191-N195 VanDerWaalsContact O-CG 3.32Å; S191-N195 PolarHBondContact O-N 2.77Å; S191-N245 WeakPolarHBondContact CB-OD1 3.46Å; S191-N245 PolarHBondContact OG-OD1 3.36Å |
| 192 | V | 74.5 | Confident | 68.7 | Low | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63 | -48.6 | 175 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | F188 L189 N195 V196 L242 N245 F291 | F188-V192 HydrophobicContact CD1-CG2 4.45Å; F188-V192 HydrophobicContact CD2-CG2 4.13Å; F188-V192 HydrophobicContact CE1-CG2 4.05Å; F188-V192 HydrophobicContact CE2-CG2 3.72Å; F188-V192 HydrophobicContact CG-CG2 4.49Å; F188-V192 HydrophobicContact CZ-CG2 3.67Å; F188-V192 WeakPolarHBondContact O-CG2 3.18Å; F188-V192 PolarHBondContact O-N 2.93Å; L189-V192 PolarHBondContact O-N 3.36Å; V192-N195 PolarHBondContact O-N 2.7Å; V192-V196 WeakPolarHBondContact O-CG2 3.49Å; V192-V196 PolarHBondContact O-N 2.96Å; V192-L242 HydrophobicContact CG1-CD2 3.8Å; V192-L242 HydrophobicContact CG2-CD2 4.25Å; V192-N245 HydrophobicContact CG2-CB 3.76Å; V192-F291 HydrophobicContact CG1-CE2 4.38Å |
| 193 | L | 72.4 | Confident | 68.4 | Low | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.3 | -49 | 178.8 | -78.2 | 158.8 | 0 | 0 | 0 | 111.2 | L189 N195 V196 F197 F291 I299 | L189-L193 WeakPolarHBondContact O-CB 3.42Å; L189-L193 WeakPolarHBondContact O-CD1 3.34Å; L189-L193 WeakPolarHBondContact O-CG 3.41Å; L189-L193 PolarHBondContact O-N 3.32Å; L193-N195 PolarHBondContact O-N 2.98Å; L193-V196 PolarHBondContact O-N 2.77Å; L193-F197 HydrophobicContact CB-CD2 4.48Å; L193-F197 HydrophobicContact CB-CE2 4.37Å; L193-F197 HydrophobicContact CD2-CE2 3.77Å; L193-F197 WeakPolarHBondContact O-CD2 3.12Å; L193-F197 PolarHBondContact O-N 3.43Å; L193-F291 HydrophobicContact CD2-CD1 3.67Å; L193-F291 HydrophobicContact CD2-CD2 3.96Å; L193-F291 HydrophobicContact CD2-CE1 3.43Å; L193-F291 VanDerWaalsContact CD2-CE1 3.43Å; L193-F291 HydrophobicContact CD2-CE2 3.74Å; L193-F291 HydrophobicContact CD2-CG 3.93Å; L193-F291 HydrophobicContact CD2-CZ 3.47Å; L193-F291 VanDerWaalsContact CD2-CZ 3.47Å; L193-F291 HydrophobicContact CG-CE2 4.19Å; L193-F291 HydrophobicContact CG-CZ 4.12Å; L193-I299 HydrophobicContact CD1-CD1 3.42Å; L193-I299 VanDerWaalsContact CD1-CD1 3.42Å |
| 194 | Q | 70.7 | Confident | 67.9 | Low | 117 Ų | 117 | 46.1 Ų | 46.1 | 55% | 0.547 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.6 | -41.9 | 178 | -74 | -176.6 | 12 | 0 | 0 | 112.5 | S190 F197 H198 | S190-Q194 WeakPolarHBondContact O-CB 3.37Å; S190-Q194 VanDerWaalsContact O-CG 3.31Å; S190-Q194 WeakPolarHBondContact O-CG 3.27Å; S190-Q194 PolarHBondContact O-N 2.85Å; Q194-F197 PolarHBondContact O-N 3.07Å; Q194-H198 WeakPolarHBondContact O-CB 3.37Å; Q194-H198 PolarHBondContact O-N 2.79Å |
| 195 | N | 71.9 | Confident | 66.9 | Low | 50 Ų | 50 | 47.4 Ų | 47.4 | 27% | 0.267 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 176.4 | -77.2 | -6.6 | 0 | 0 | 0 | 112.2 | S191 V192 L193 R199 N245 | S191-N195 WeakPolarHBondContact O-CB 3.08Å; S191-N195 VanDerWaalsContact O-CG 3.32Å; S191-N195 PolarHBondContact O-N 2.77Å; V192-N195 PolarHBondContact O-N 2.7Å; L193-N195 PolarHBondContact O-N 2.98Å; N195-R199 VanDerWaalsContact O-CB 3.25Å; N195-R199 WeakPolarHBondContact O-CB 3.49Å; N195-R199 WeakPolarHBondContact O-CD 3.37Å; N195-R199 VanDerWaalsContact O-CG 3.28Å; N195-R199 WeakPolarHBondContact O-CG 3.49Å; N195-R199 PolarHBondContact O-N 3.39Å; N195-N245 PolarHBondContact ND2-ND2 3.19Å |
| 196 | V | 70.2 | Confident | 65.6 | Low | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -49.7 | 176.2 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | V192 L193 R199 F200 S241 F291 F313 | V192-V196 WeakPolarHBondContact O-CG2 3.49Å; V192-V196 PolarHBondContact O-N 2.96Å; L193-V196 PolarHBondContact O-N 2.77Å; V196-R199 PolarHBondContact O-N 3.18Å; V196-F200 VanDerWaalsContact O-CB 3.29Å; V196-F200 WeakPolarHBondContact O-CB 3.46Å; V196-F200 PolarHBondContact O-N 3.12Å; V196-S241 WeakPolarHBondContact CG2-OG 3.44Å; V196-F291 HydrophobicContact CB-CE1 4.45Å; V196-F291 HydrophobicContact CB-CZ 4.31Å; V196-F291 HydrophobicContact CG1-CE1 4.05Å; V196-F291 HydrophobicContact CG1-CZ 4.32Å; V196-F291 HydrophobicContact CG2-CZ 4.09Å; V196-F313 HydrophobicContact CG1-CD1 4.36Å; V196-F313 HydrophobicContact CG1-CE1 3.43Å; V196-F313 VanDerWaalsContact CG1-CE1 3.43Å; V196-F313 HydrophobicContact CG1-CZ 3.91Å |
| 197 | F | 68.1 | Low | 64.6 | Low | 15 Ų | 15 | 49.6 Ų | 49.6 | 7% | 0.066 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.5 | -40.1 | -179.4 | -71.5 | -64.1 | 0 | 0 | 0 | 112.7 | L193 Q194 F200 I201 L301 L305 F309 Y310 | L193-F197 HydrophobicContact CB-CD2 4.48Å; L193-F197 HydrophobicContact CB-CE2 4.37Å; L193-F197 HydrophobicContact CD2-CE2 3.77Å; L193-F197 WeakPolarHBondContact O-CD2 3.12Å; L193-F197 PolarHBondContact O-N 3.43Å; Q194-F197 PolarHBondContact O-N 3.07Å; F197-F200 PolarHBondContact O-N 3.26Å; F197-I201 WeakPolarHBondContact O-CB 3.22Å; F197-I201 WeakPolarHBondContact O-CD1 3.45Å; F197-I201 VanDerWaalsContact O-CG1 3.24Å; F197-I201 WeakPolarHBondContact O-CG1 3.4Å; F197-I201 PolarHBondContact O-N 3.1Å; F197-L301 HydrophobicContact CD2-CD1 4.28Å; F197-L301 HydrophobicContact CD2-CD2 3.37Å; F197-L301 HydrophobicContact CD2-CG 4.47Å; F197-L301 HydrophobicContact CE2-CD1 3.56Å; F197-L301 HydrophobicContact CE2-CD2 3.54Å; F197-L301 HydrophobicContact CE2-CG 4.21Å; F197-L301 HydrophobicContact CG-CD2 4.04Å; F197-L301 HydrophobicContact CZ-CD1 4.06Å; F197-L301 HydrophobicContact CZ-CD2 4.31Å; F197-L305 HydrophobicContact CD1-CD1 3.94Å; F197-L305 HydrophobicContact CE1-CD1 3.43Å; F197-L305 VanDerWaalsContact CE1-CD1 3.43Å; F197-L305 HydrophobicContact CZ-CD1 4.25Å; F197-F309 HydrophobicContact CE1-CE1 4.21Å; F197-Y310 HydrophobicContact CZ-CE1 4.01Å |
| 198 | H | 67.9 | Low | 63.2 | Low | 116 Ų | 116 | 49.9 Ų | 49.9 | 54% | 0.537 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 175.7 | -179.9 | -118.8 | 0 | 0 | 0 | 112 | Q194 N202 | Q194-H198 WeakPolarHBondContact O-CB 3.37Å; Q194-H198 PolarHBondContact O-N 2.79Å; H198-N202 PolarHBondContact CD2-ND2 3.19Å; H198-N202 PolarHBondContact CE1-ND2 3.12Å; H198-N202 PolarHBondContact NE2-ND2 3.03Å; H198-N202 WeakPolarHBondContact O-CB 3.37Å; H198-N202 VanDerWaalsContact O-CG 3.27Å; H198-N202 PolarHBondContact O-N 3.4Å; H198-N202 PolarHBondContact O-ND2 2.87Å; H198-N202 VanDerWaalsContact O-ND2 3.17Å |
| 199 | R | 66.1 | Low | 61.5 | Low | 86 Ų | 86 | 54 Ų | 54 | 33% | 0.325 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 174.9 | -75.2 | 164.4 | 163.3 | -89.4 | 8.6 | 111.7 | N195 V196 N202 S203 I237 S240 S241 D244 | N195-R199 VanDerWaalsContact O-CB 3.25Å; N195-R199 WeakPolarHBondContact O-CB 3.49Å; N195-R199 WeakPolarHBondContact O-CD 3.37Å; N195-R199 VanDerWaalsContact O-CG 3.28Å; N195-R199 WeakPolarHBondContact O-CG 3.49Å; N195-R199 PolarHBondContact O-N 3.39Å; V196-R199 PolarHBondContact O-N 3.18Å; R199-N202 PolarHBondContact O-N 3.38Å; R199-S203 WeakPolarHBondContact O-CB 3.38Å; R199-S203 PolarHBondContact O-N 3.09Å; R199-S203 VanDerWaalsContact O-N 3.09Å; R199-S203 PolarHBondContact O-OG 3.2Å; R199-I237 HydrophobicContact CB-CG2 3.81Å; R199-S240 VanDerWaalsContact NH1-CB 3.34Å; R199-S241 WeakPolarHBondContact CD-OG 3.45Å; R199-D244 IonicContact CZ-OD2 3.24Å; R199-D244 IonicContact NE-OD2 3.23Å; R199-D244 PolarHBondContact NE-OD2 2.87Å; R199-D244 IonicContact NH2-OD1 3.08Å; R199-D244 PolarHBondContact NH2-OD1 3.12Å; R199-D244 IonicContact NH2-OD2 3.36Å; R199-D244 PolarHBondContact NH2-OD2 2.97Å |
| 200 | F | 66 | Low | 59.9 | Low | 9 Ų | 9 | 60.2 Ų | 60.2 | 4% | 0.039 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.7 | -52.1 | 176.2 | -176 | -93.1 | 0 | 0 | 0 | 111.7 | V196 F197 N202 S203 S204 L207 L234 F309 F313 | V196-F200 VanDerWaalsContact O-CB 3.29Å; V196-F200 WeakPolarHBondContact O-CB 3.46Å; V196-F200 PolarHBondContact O-N 3.12Å; F197-F200 PolarHBondContact O-N 3.26Å; F200-N202 VanDerWaalsContact C-N 3.35Å; F200-N202 PolarHBondContact O-N 3.19Å; F200-S203 WeakPolarHBondContact CA-OG 3.49Å; F200-S203 CarbonylContact O-C 3.46Å; F200-S203 PolarHBondContact O-N 2.56Å; F200-S203 PolarHBondContact O-OG 2.74Å; F200-S204 PolarHBondContact O-N 3.33Å; F200-S204 VanDerWaalsContact O-N 3.11Å; F200-L207 HydrophobicContact CE2-CD2 3.78Å; F200-L207 HydrophobicContact CZ-CD2 4.38Å; F200-L234 HydrophobicContact CD2-CD1 3.64Å; F200-L234 HydrophobicContact CE2-CD1 3.49Å; F200-L234 VanDerWaalsContact CE2-CD1 3.49Å; F200-F309 HydrophobicContact CD1-CZ 4.14Å; F200-F309 HydrophobicContact CE1-CE2 4.02Å; F200-F309 AromaticContact CE1-CZ 3.61Å; F200-F309 HydrophobicContact CE1-CZ 3.61Å; F200-F309 HydrophobicContact CE2-CE2 4.4Å; F200-F309 HydrophobicContact CE2-CZ 4.07Å; F200-F309 AromaticContact CZ-CE2 3.71Å; F200-F309 HydrophobicContact CZ-CE2 3.71Å; F200-F309 AromaticContact CZ-CZ 3.57Å; F200-F309 HydrophobicContact CZ-CZ 3.57Å; F200-F313 HydrophobicContact CD2-CZ 4.4Å |
| 201 | I | 63.5 | Low | 58.1 | Low | 88 Ų | 88 | 63 Ų | 63 | 45% | 0.451 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.6 | -45.6 | 178.1 | -69.6 | 165.1 | 0 | 0 | 0 | 111 | F197 S203 S204 L303 | F197-I201 WeakPolarHBondContact O-CB 3.22Å; F197-I201 WeakPolarHBondContact O-CD1 3.45Å; F197-I201 VanDerWaalsContact O-CG1 3.24Å; F197-I201 WeakPolarHBondContact O-CG1 3.4Å; F197-I201 PolarHBondContact O-N 3.1Å; I201-S203 PolarHBondContact O-N 3.5Å; I201-S204 PolarHBondContact O-N 3.23Å; I201-S204 PolarHBondContact O-OG 2.84Å; I201-S204 VanDerWaalsContact O-OG 3.1Å; I201-L303 HydrophobicContact CD1-CD2 4.49Å |
| 202 | N | 58.4 | Low | 56.5 | Low | 105 Ų | 105 | 63.5 Ų | 63.5 | 56% | 0.561 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -70.6 | -14.4 | 179 | -67.6 | -26.4 | 0 | 0 | 0 | 113.8 | H198 R199 F200 | H198-N202 PolarHBondContact CD2-ND2 3.19Å; H198-N202 PolarHBondContact CE1-ND2 3.12Å; H198-N202 PolarHBondContact NE2-ND2 3.03Å; H198-N202 WeakPolarHBondContact O-CB 3.37Å; H198-N202 VanDerWaalsContact O-CG 3.27Å; H198-N202 PolarHBondContact O-N 3.4Å; H198-N202 PolarHBondContact O-ND2 2.87Å; H198-N202 VanDerWaalsContact O-ND2 3.17Å; R199-N202 PolarHBondContact O-N 3.38Å; F200-N202 VanDerWaalsContact C-N 3.35Å; F200-N202 PolarHBondContact O-N 3.19Å |
| 203 | S | 55.5 | Low | 54.6 | Low | 33 Ų | 33 | 69.4 Ų | 69.4 | 23% | 0.231 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -98.3 | -4.7 | 174.9 | 71 | 0 | 0 | 0 | 0 | 114.3 | R199 F200 I201 S205 N206 I237 | R199-S203 WeakPolarHBondContact O-CB 3.38Å; R199-S203 PolarHBondContact O-N 3.09Å; R199-S203 VanDerWaalsContact O-N 3.09Å; R199-S203 PolarHBondContact O-OG 3.2Å; F200-S203 WeakPolarHBondContact CA-OG 3.49Å; F200-S203 CarbonylContact O-C 3.46Å; F200-S203 PolarHBondContact O-N 2.56Å; F200-S203 PolarHBondContact O-OG 2.74Å; I201-S203 PolarHBondContact O-N 3.5Å; S203-S205 PolarHBondContact O-N 2.87Å; S203-N206 PolarHBondContact O-N 3.03Å; S203-N206 VanDerWaalsContact O-N 3.1Å; S203-I237 WeakPolarHBondContact OG-CD1 3.12Å |
| 204 | S | 49.1 | Very low | 52.7 | Low | 56 Ų | 56 | 76.7 Ų | 76.7 | 39% | 0.392 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 1.5 | -172.1 | 80.3 | 0 | 0 | 0 | 0 | 114.7 | F200 I201 N206 | F200-S204 PolarHBondContact O-N 3.33Å; F200-S204 VanDerWaalsContact O-N 3.11Å; I201-S204 PolarHBondContact O-N 3.23Å; I201-S204 PolarHBondContact O-OG 2.84Å; I201-S204 VanDerWaalsContact O-OG 3.1Å; S204-N206 PolarHBondContact O-N 3.35Å |
| 205 | S | 45.6 | Very low | 50.8 | Low | 105 Ų | 105 | 76.2 Ų | 76.2 | 73% | 0.734 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -22.1 | 165.6 | 51.8 | 0 | 0 | 0 | 0 | 112.8 | S203 | S203-S205 PolarHBondContact O-N 2.87Š|
| 206 | N | 41.7 | Very low | 49.1 | Very low | 125 Ų | 125 | 83.5 Ų | 83.5 | 67% | 0.668 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | -10.5 | 177.2 | -69.8 | -40 | 0 | 0 | 0 | 114.2 | S203 S204 | S203-N206 PolarHBondContact O-N 3.03Å; S203-N206 VanDerWaalsContact O-N 3.1Å; S204-N206 PolarHBondContact O-N 3.35Å |
| 207 | L | 45.2 | Very low | 47.2 | Very low | 9 Ų | 9 | 90.1 Ų | 90.1 | 5% | 0.047 | 46% | 0.463 | C | S | . | . | trans | -115.1 | 99.2 | 173.3 | -97.6 | 75.4 | 0 | 0 | 0 | 110.3 | F200 I209 M233 L234 | F200-L207 HydrophobicContact CE2-CD2 3.78Å; F200-L207 HydrophobicContact CZ-CD2 4.38Å; L207-I209 PolarHBondContact O-N 3.38Å; L207-M233 HydrophobicContact CD1-CB 4.16Å; L207-M233 HydrophobicContact CD1-CG 4.49Å; L207-M233 HydrophobicContact CD1-SD 3.58Å; L207-M233 VanDerWaalsContact CD1-SD 3.58Å; L207-L234 HydrophobicContact CD2-CD1 4.44Å | ||
| 208 | S | 41.8 | Very low | 45.2 | Very low | 73 Ų | 73 | 93 Ų | 93 | 51% | 0.51 | 49% | 0.485 | S | S | . | . | trans | -70.2 | 121.2 | 164.7 | 45.1 | 0 | 0 | 0 | 0 | 109.7 | N210 M211 | S208-N210 PolarHBondContact O-N 2.82Å; S208-N210 VanDerWaalsContact O-N 3.14Å; S208-M211 PolarHBondContact O-N 3Å; S208-M211 VanDerWaalsContact OG-CG 3.28Å; S208-M211 WeakPolarHBondContact OG-CG 3.45Å | ||
| 209 | I | 44.2 | Very low | 43.4 | Very low | 88 Ų | 88 | 92.2 Ų | 92.2 | 45% | 0.451 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -55.4 | -36.1 | -176.8 | -65 | 172.6 | 0 | 0 | 0 | 111.2 | L207 M211 L212 | L207-I209 PolarHBondContact O-N 3.38Å; I209-M211 PolarHBondContact O-N 2.96Å; I209-L212 PolarHBondContact O-N 3.44Å; I209-L212 VanDerWaalsContact O-N 3.12Å |
| 210 | N | 39.5 | Very low | 41.6 | Very low | 132 Ų | 132 | 96.7 Ų | 96.7 | 71% | 0.706 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -61.1 | -13.4 | 178.1 | -54.2 | 32.3 | 0 | 0 | 0 | 114.6 | S208 | S208-N210 PolarHBondContact O-N 2.82Å; S208-N210 VanDerWaalsContact O-N 3.14Å |
| 211 | M | 35.1 | Very low | 39.8 | Very low | 80 Ų | 80 | 105.3 Ų | 105.3 | 39% | 0.394 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -86.2 | -3.1 | 176.4 | -72.3 | -65.1 | -65.9 | 0 | 0 | 114 | S208 I209 S224 V225 | S208-M211 PolarHBondContact O-N 3Å; S208-M211 VanDerWaalsContact OG-CG 3.28Å; S208-M211 WeakPolarHBondContact OG-CG 3.45Å; I209-M211 PolarHBondContact O-N 2.96Å; M211-S224 VanDerWaalsContact CE-O 3.28Å; M211-S224 WeakPolarHBondContact CE-O 3.34Å; M211-V225 HydrophobicContact CE-CB 4.43Å |
| 212 | L | 39.3 | Very low | 38.2 | Very low | 43 Ų | 43 | 106.7 Ų | 106.7 | 23% | 0.225 | 58% | 0.577 | C | S | . | * | S | Bend | trans | -101.5 | -9.1 | 172.8 | -72.7 | 173.1 | 0 | 0 | 0 | 113.2 | I209 Y214 F309 I312 | I209-L212 PolarHBondContact O-N 3.44Å; I209-L212 VanDerWaalsContact O-N 3.12Å; L212-Y214 PolarHBondContact O-N 3.32Å; L212-F309 HydrophobicContact CD1-CE2 4.45Å; L212-I312 HydrophobicContact CB-CD1 4.05Å; L212-I312 HydrophobicContact CD2-CD1 4.46Å; L212-I312 HydrophobicContact CD2-CG2 4.44Å |
| 213 | E | 34.1 | Very low | 36.8 | Very low | 127 Ų | 127 | 106.3 Ų | 106.3 | 59% | 0.593 | 58% | 0.582 | S | S | * | * | trans | -94.5 | 73.3 | 170.8 | -66.1 | -168 | 139.9 | 0 | 0 | 110.7 | ||||
| 214 | Y | 33.2 | Very low | 35.6 | Very low | 153 Ų | 153 | 109.3 Ų | 109.3 | 60% | 0.6 | 60% | 0.603 | S | S | * | * | trans | -108.1 | 100.8 | 166.8 | -137 | -82.8 | 0 | 0 | 0 | 110.4 | L212 | L212-Y214 PolarHBondContact O-N 3.32Š| ||
| 215 | D | 30.1 | Very low | 35 | Very low | 107 Ų | 107 | 111.1 Ų | 111.1 | 57% | 0.572 | 61% | 0.612 | S | S | * | * | trans | -64.1 | 148.3 | 174.4 | -167.5 | -11.6 | 0 | 0 | 0 | 110.1 | N217 | D215-N217 PolarHBondContact O-N 3.38Å; D215-N217 VanDerWaalsContact O-N 3.11Å; D215-N217 PolarHBondContact OD1-ND2 2.66Å | ||
| 216 | K | 36.1 | Very low | 34.9 | Very low | 203 Ų | 203 | 109.5 Ų | 109.5 | 88% | 0.883 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 4.1 | -179.7 | -77.6 | 178.2 | 175.2 | 168.8 | 0 | 113.5 | ||
| 217 | N | 30.2 | Very low | 35.1 | Very low | 139 Ų | 139 | 108.1 Ų | 108.1 | 74% | 0.743 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.7 | 23.9 | -164.8 | -58.2 | -67.5 | 0 | 0 | 0 | 115.2 | D215 | D215-N217 PolarHBondContact O-N 3.38Å; D215-N217 VanDerWaalsContact O-N 3.11Å; D215-N217 PolarHBondContact OD1-ND2 2.66Å |
| 218 | S | 27.9 | Very low | 35.5 | Very low | 75 Ų | 75 | 109.2 Ų | 109.2 | 52% | 0.524 | 61% | 0.611 | S | S | . | * | trans | -135 | 131.8 | 168.9 | 58 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 219 | A | 28.3 | Very low | 36.2 | Very low | 101 Ų | 101 | 108 Ų | 108 | 84% | 0.835 | 60% | 0.601 | S | S | * | * | trans | -127.2 | 81.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 220 | E | 29.4 | Very low | 36.7 | Very low | 179 Ų | 179 | 104.4 Ų | 104.4 | 84% | 0.836 | 58% | 0.583 | S | S | * | * | trans | -157.7 | 143.1 | 159.5 | -114.2 | 162.4 | -153.2 | 0 | 0 | 110.1 | ||||
| 221 | F | 27 | Very low | 37.9 | Very low | 190 Ų | 190 | 100.6 Ų | 100.6 | 83% | 0.833 | 56% | 0.562 | S | S | * | * | trans | -91.4 | 151 | -171.4 | -94.8 | -79.4 | 0 | 0 | 0 | 112 | ||||
| 222 | P | 31.6 | Very low | 39.3 | Very low | 118 Ų | 118 | 97.7 Ų | 97.7 | 77% | 0.766 | 55% | 0.549 | S | S | * | . | -144.5 | 125 | 94.8 | 34.1 | -16.6 | 0 | 0 | 0 | 116.4 | |||||
| 223 | S | 27.9 | Very low | 40.6 | Very low | 97 Ų | 97 | 98.6 Ų | 98.6 | 68% | 0.678 | 55% | 0.553 | S | S | * | * | trans | 10.4 | 109.9 | 148.4 | 58.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 224 | S | 30.7 | Very low | 42.3 | Very low | 95 Ų | 95 | 92.8 Ų | 92.8 | 66% | 0.664 | 53% | 0.525 | S | S | * | . | 175.5 | 159.1 | 110.3 | 49.8 | 0 | 0 | 0 | 0 | 111.6 | M211 | M211-S224 VanDerWaalsContact CE-O 3.28Å; M211-S224 WeakPolarHBondContact CE-O 3.34Å | |||
| 225 | V | 36.8 | Very low | 44.3 | Very low | 95 Ų | 95 | 85.7 Ų | 85.7 | 58% | 0.576 | 50% | 0.498 | S | S | * | . | trans | 65 | 125.7 | -171.8 | -170.4 | 0 | 0 | 0 | 0 | 114.1 | M211 | M211-V225 HydrophobicContact CE-CB 4.43Š| ||
| 226 | S | 42.4 | Very low | 46.5 | Very low | 70 Ų | 70 | 82.1 Ų | 82.1 | 49% | 0.49 | 48% | 0.479 | S | S | . | . | trans | -88.5 | 133.8 | 178.7 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | G228 T229 | S226-G228 PolarHBondContact O-N 2.68Å; S226-G228 VanDerWaalsContact O-N 3.14Å; S226-T229 WeakPolarHBondContact O-CB 3.46Å; S226-T229 PolarHBondContact O-N 3.47Å; S226-T229 PolarHBondContact O-OG1 3.32Å; S226-T229 PolarHBondContact OG-OG1 3.21Å | ||
| 227 | P | 46.4 | Very low | 48.3 | Very low | 97 Ų | 97 | 73.4 Ų | 73.4 | 63% | 0.63 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.3 | -26.3 | -171.3 | 22.7 | -33.6 | 0 | 0 | 0 | 114.3 | T229 S230 M231 | P227-T229 PolarHBondContact O-N 3.07Å; P227-S230 PolarHBondContact O-N 2.89Å; P227-M231 PolarHBondContact O-N 2.89Å |
| 228 | G | 53.3 | Low | 50.4 | Low | 32 Ų | 32 | 66.9 Ų | 66.9 | 33% | 0.33 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.3 | -31.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S226 M231 V232 | S226-G228 PolarHBondContact O-N 2.68Å; S226-G228 VanDerWaalsContact O-N 3.14Å; G228-M231 PolarHBondContact O-N 3.45Å; G228-V232 WeakPolarHBondContact O-CG2 3.38Å; G228-V232 PolarHBondContact O-N 2.79Å |
| 229 | T | 56.1 | Low | 52.7 | Low | 47 Ų | 47 | 63.4 Ų | 63.4 | 29% | 0.288 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68 | -41.9 | 179.1 | -43.1 | 0 | 0 | 0 | 0 | 111.1 | S226 P227 V232 M233 | S226-T229 WeakPolarHBondContact O-CB 3.46Å; S226-T229 PolarHBondContact O-N 3.47Å; S226-T229 PolarHBondContact O-OG1 3.32Å; S226-T229 PolarHBondContact OG-OG1 3.21Å; P227-T229 PolarHBondContact O-N 3.07Å; T229-V232 PolarHBondContact O-N 3.34Å; T229-M233 PolarHBondContact O-N 3.17Å |
| 230 | S | 56.2 | Low | 54.9 | Low | 12 Ų | 12 | 59.2 Ų | 59.2 | 8% | 0.084 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 176.6 | -52.2 | 0 | 0 | 0 | 0 | 111.9 | P227 M233 L234 | P227-S230 PolarHBondContact O-N 2.89Å; S230-M233 PolarHBondContact O-N 2.91Å; S230-L234 PolarHBondContact O-N 2.82Å |
| 231 | M | 63.2 | Low | 57.1 | Low | 53 Ų | 53 | 50.7 Ų | 50.7 | 26% | 0.261 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 175.5 | -67.2 | -71.5 | -89.5 | 0 | 0 | 112.1 | P227 G228 L234 L235 I312 T316 | P227-M231 PolarHBondContact O-N 2.89Å; G228-M231 PolarHBondContact O-N 3.45Å; M231-L234 PolarHBondContact O-N 3.01Å; M231-L235 WeakPolarHBondContact O-CB 3.29Å; M231-L235 WeakPolarHBondContact O-CG 3.46Å; M231-L235 PolarHBondContact O-N 2.88Å; M231-I312 HydrophobicContact SD-CG2 4.37Å; M231-T316 HydrophobicContact CE-CG2 3.43Å; M231-T316 VanDerWaalsContact CE-CG2 3.43Å; M231-T316 HydrophobicContact SD-CG2 3.54Å; M231-T316 VanDerWaalsContact SD-CG2 3.54Å |
| 232 | V | 65.9 | Low | 59.4 | Low | 18 Ų | 18 | 41.9 Ų | 41.9 | 11% | 0.109 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66 | -39.4 | 176 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | G228 T229 L235 N236 L332 I352 | G228-V232 WeakPolarHBondContact O-CG2 3.38Å; G228-V232 PolarHBondContact O-N 2.79Å; T229-V232 PolarHBondContact O-N 3.34Å; V232-L235 PolarHBondContact O-N 3.44Å; V232-N236 PolarHBondContact O-N 3.19Å; V232-L332 HydrophobicContact CG2-CD1 4.1Å; V232-I352 HydrophobicContact CG1-CG1 4.19Å |
| 233 | M | 65.5 | Low | 61.4 | Low | 63 Ų | 63 | 37.6 Ų | 37.6 | 31% | 0.31 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 172.1 | -72.5 | -169.8 | 179.3 | 0 | 0 | 111.8 | L207 T229 S230 L235 N236 I237 | L207-M233 HydrophobicContact CD1-CB 4.16Å; L207-M233 HydrophobicContact CD1-CG 4.49Å; L207-M233 HydrophobicContact CD1-SD 3.58Å; L207-M233 VanDerWaalsContact CD1-SD 3.58Å; T229-M233 PolarHBondContact O-N 3.17Å; S230-M233 PolarHBondContact O-N 2.91Å; M233-L235 PolarHBondContact O-N 3.42Å; M233-N236 PolarHBondContact O-N 2.92Å; M233-I237 WeakPolarHBondContact O-CD1 3.15Å; M233-I237 VanDerWaalsContact O-CG1 3.29Å; M233-I237 WeakPolarHBondContact O-CG1 3.19Å; M233-I237 PolarHBondContact O-N 2.75Å |
| 234 | L | 70.1 | Confident | 63.6 | Low | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -46.3 | 177.5 | -146.9 | 84.3 | 0 | 0 | 0 | 111.7 | F200 L207 S230 M231 N236 I237 I238 I312 F313 T316 | F200-L234 HydrophobicContact CD2-CD1 3.64Å; F200-L234 HydrophobicContact CE2-CD1 3.49Å; F200-L234 VanDerWaalsContact CE2-CD1 3.49Å; L207-L234 HydrophobicContact CD2-CD1 4.44Å; S230-L234 PolarHBondContact O-N 2.82Å; M231-L234 PolarHBondContact O-N 3.01Å; L234-N236 PolarHBondContact O-N 2.91Å; L234-I237 PolarHBondContact O-N 3.38Å; L234-I238 HydrophobicContact CD2-CD1 4.39Å; L234-I238 HydrophobicContact CG-CD1 4.36Å; L234-I238 WeakPolarHBondContact O-CD1 3.48Å; L234-I238 VanDerWaalsContact O-CG1 3.29Å; L234-I238 WeakPolarHBondContact O-CG1 3.43Å; L234-I238 PolarHBondContact O-N 2.68Å; L234-I312 HydrophobicContact CD2-CG2 4.46Å; L234-F313 HydrophobicContact CD1-CE1 4.5Å; L234-F313 HydrophobicContact CD1-CE2 3.9Å; L234-F313 HydrophobicContact CD1-CZ 3.68Å; L234-F313 HydrophobicContact CD2-CD1 4.33Å; L234-F313 HydrophobicContact CD2-CD2 4.14Å; L234-F313 HydrophobicContact CD2-CE1 4.08Å; L234-F313 HydrophobicContact CD2-CE2 3.88Å; L234-F313 HydrophobicContact CD2-CG 4.36Å; L234-F313 HydrophobicContact CD2-CZ 3.86Å; L234-F313 HydrophobicContact CG-CE1 4.15Å; L234-F313 HydrophobicContact CG-CE2 4.22Å; L234-F313 HydrophobicContact CG-CZ 3.82Å; L234-T316 HydrophobicContact CD2-CG2 3.89Å |
| 235 | L | 75.4 | Confident | 65.6 | Low | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.6 | -47.6 | 176.2 | -76.7 | 166.1 | 0 | 0 | 0 | 111.7 | M231 V232 M233 I237 I238 I239 T316 I320 I323 L332 I352 | M231-L235 WeakPolarHBondContact O-CB 3.29Å; M231-L235 WeakPolarHBondContact O-CG 3.46Å; M231-L235 PolarHBondContact O-N 2.88Å; V232-L235 PolarHBondContact O-N 3.44Å; M233-L235 PolarHBondContact O-N 3.42Å; L235-I237 VanDerWaalsContact C-N 3.35Å; L235-I237 PolarHBondContact O-N 3.04Å; L235-I238 PolarHBondContact O-N 3.26Å; L235-I239 WeakPolarHBondContact O-CB 3.31Å; L235-I239 VanDerWaalsContact O-CG1 3.25Å; L235-I239 WeakPolarHBondContact O-CG1 3.38Å; L235-I239 PolarHBondContact O-N 3.41Å; L235-T316 WeakPolarHBondContact CD2-O 3.28Å; L235-I320 HydrophobicContact CD2-CD1 4.13Å; L235-I320 HydrophobicContact CD2-CG1 3.58Å; L235-I323 HydrophobicContact CD1-CD1 4.45Å; L235-L332 HydrophobicContact CD1-CD1 4.15Å; L235-I352 HydrophobicContact CD1-CD1 4.21Å |
| 236 | N | 75.6 | Confident | 67.3 | Low | 33 Ų | 33 | 30.1 Ų | 30.1 | 18% | 0.176 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.3 | -32.3 | 178.6 | -79.5 | -17.8 | 0 | 0 | 0 | 113.2 | V232 M233 L234 S240 K351 I352 D353 | V232-N236 PolarHBondContact O-N 3.19Å; M233-N236 PolarHBondContact O-N 2.92Å; L234-N236 PolarHBondContact O-N 2.91Å; N236-S240 VanDerWaalsContact O-CB 3.28Å; N236-S240 WeakPolarHBondContact O-CB 3.15Å; N236-S240 PolarHBondContact O-N 3.28Å; N236-S240 PolarHBondContact O-OG 3.49Å; N236-K351 PolarHBondContact ND2-O 3.42Å; N236-I352 WeakPolarHBondContact OD1-CA 3.28Å; N236-D353 PolarHBondContact OD1-N 3.2Å |
| 237 | I | 74.5 | Confident | 68.6 | Low | 19 Ų | 19 | 34 Ų | 34 | 10% | 0.097 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64 | -45.1 | 171.5 | -71.6 | 163.1 | 0 | 0 | 0 | 110.5 | R199 S203 M233 L234 L235 S241 | R199-I237 HydrophobicContact CB-CG2 3.81Å; S203-I237 WeakPolarHBondContact OG-CD1 3.12Å; M233-I237 WeakPolarHBondContact O-CD1 3.15Å; M233-I237 VanDerWaalsContact O-CG1 3.29Å; M233-I237 WeakPolarHBondContact O-CG1 3.19Å; M233-I237 PolarHBondContact O-N 2.75Å; L234-I237 PolarHBondContact O-N 3.38Å; L235-I237 VanDerWaalsContact C-N 3.35Å; L235-I237 PolarHBondContact O-N 3.04Å; I237-S241 WeakPolarHBondContact O-CB 3.39Å; I237-S241 PolarHBondContact O-N 3.44Å; I237-S241 PolarHBondContact O-OG 3.36Å |
| 238 | I | 74.3 | Confident | 69.9 | Low | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.5 | -50.1 | 178.2 | -65.2 | 160.1 | 0 | 0 | 0 | 110.8 | L234 L235 S240 S241 L242 F313 I317 I320 | L234-I238 HydrophobicContact CD2-CD1 4.39Å; L234-I238 HydrophobicContact CG-CD1 4.36Å; L234-I238 WeakPolarHBondContact O-CD1 3.48Å; L234-I238 VanDerWaalsContact O-CG1 3.29Å; L234-I238 WeakPolarHBondContact O-CG1 3.43Å; L234-I238 PolarHBondContact O-N 2.68Å; L235-I238 PolarHBondContact O-N 3.26Å; I238-S240 VanDerWaalsContact C-N 3.34Å; I238-S240 PolarHBondContact O-N 2.84Å; I238-S241 PolarHBondContact O-N 3.35Å; I238-S241 VanDerWaalsContact O-N 3.13Å; I238-L242 HydrophobicContact CG2-CD1 3.96Å; I238-L242 HydrophobicContact CG2-CG 4.46Å; I238-L242 WeakPolarHBondContact O-CG 3.49Å; I238-L242 PolarHBondContact O-N 2.83Å; I238-F313 HydrophobicContact CD1-CD1 3.91Å; I238-F313 HydrophobicContact CD1-CE1 3.8Å; I238-F313 HydrophobicContact CG1-CD1 4.33Å; I238-F313 HydrophobicContact CG1-CE1 3.89Å; I238-I317 HydrophobicContact CD1-CG1 4.13Å; I238-I317 HydrophobicContact CG2-CG1 4.27Å; I238-I320 HydrophobicContact CB-CD1 4.36Å; I238-I320 HydrophobicContact CG2-CD1 3.64Å |
| 239 | I | 76.1 | Confident | 70.9 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.8 | -47 | 178.4 | -69.5 | 163.9 | 0 | 0 | 0 | 110.8 | L235 S241 L242 S243 I352 D353 R356 L357 | L235-I239 WeakPolarHBondContact O-CB 3.31Å; L235-I239 VanDerWaalsContact O-CG1 3.25Å; L235-I239 WeakPolarHBondContact O-CG1 3.38Å; L235-I239 PolarHBondContact O-N 3.41Å; I239-S241 PolarHBondContact O-N 3.38Å; I239-L242 PolarHBondContact O-N 3.15Å; I239-S243 PolarHBondContact O-N 3.5Å; I239-S243 PolarHBondContact O-OG 3.03Å; I239-I352 HydrophobicContact CD1-CG2 3.57Å; I239-D353 HydrophobicContact CG2-CB 4.08Å; I239-R356 HydrophobicContact CG2-CB 4.14Å; I239-L357 HydrophobicContact CD1-CB 4.44Å; I239-L357 HydrophobicContact CD1-CD2 4.11Å; I239-L357 HydrophobicContact CG1-CB 4.39Å; I239-L357 HydrophobicContact CG1-CD1 4.49Å; I239-L357 HydrophobicContact CG1-CD2 4.38Å; I239-L357 HydrophobicContact CG2-CB 4.09Å |
| 240 | S | 75.5 | Confident | 71.7 | Confident | 13 Ų | 13 | 31.1 Ų | 31.1 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.7 | -47.9 | 176.1 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | R199 N236 I238 L242 S243 D244 | R199-S240 VanDerWaalsContact NH1-CB 3.34Å; N236-S240 VanDerWaalsContact O-CB 3.28Å; N236-S240 WeakPolarHBondContact O-CB 3.15Å; N236-S240 PolarHBondContact O-N 3.28Å; N236-S240 PolarHBondContact O-OG 3.49Å; I238-S240 VanDerWaalsContact C-N 3.34Å; I238-S240 PolarHBondContact O-N 2.84Å; S240-L242 VanDerWaalsContact C-N 3.27Å; S240-L242 PolarHBondContact O-N 3.48Å; S240-S243 WeakPolarHBondContact CA-OG 3.47Å; S240-S243 PolarHBondContact O-N 2.81Å; S240-S243 VanDerWaalsContact O-N 3.16Å; S240-S243 PolarHBondContact O-OG 3.29Å; S240-D244 VanDerWaalsContact O-CG 3.24Å; S240-D244 PolarHBondContact O-N 2.77Å |
| 241 | S | 75.3 | Confident | 72.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.3 | -27.1 | -177.8 | -53.7 | 0 | 0 | 0 | 0 | 113.4 | V196 R199 I237 I238 I239 N245 | V196-S241 WeakPolarHBondContact CG2-OG 3.44Å; R199-S241 WeakPolarHBondContact CD-OG 3.45Å; I237-S241 WeakPolarHBondContact O-CB 3.39Å; I237-S241 PolarHBondContact O-N 3.44Å; I237-S241 PolarHBondContact O-OG 3.36Å; I238-S241 PolarHBondContact O-N 3.35Å; I238-S241 VanDerWaalsContact O-N 3.13Å; I239-S241 PolarHBondContact O-N 3.38Å; S241-N245 PolarHBondContact O-ND2 3.27Å |
| 242 | L | 74.5 | Confident | 72.3 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -76.8 | -43.7 | 171.2 | -70 | 171 | 0 | 0 | 0 | 111.4 | V192 I238 I239 S240 D244 N245 I246 F283 I287 F360 | V192-L242 HydrophobicContact CG1-CD2 3.8Å; V192-L242 HydrophobicContact CG2-CD2 4.25Å; I238-L242 HydrophobicContact CG2-CD1 3.96Å; I238-L242 HydrophobicContact CG2-CG 4.46Å; I238-L242 WeakPolarHBondContact O-CG 3.49Å; I238-L242 PolarHBondContact O-N 2.83Å; I239-L242 PolarHBondContact O-N 3.15Å; S240-L242 VanDerWaalsContact C-N 3.27Å; S240-L242 PolarHBondContact O-N 3.48Å; L242-D244 VanDerWaalsContact C-N 3.34Å; L242-D244 PolarHBondContact O-N 2.9Å; L242-N245 CarbonylContact O-C 3.42Å; L242-N245 PolarHBondContact O-N 3.19Å; L242-N245 VanDerWaalsContact O-N 3.11Å; L242-I246 PolarHBondContact O-N 3.47Å; L242-F283 HydrophobicContact CD1-CE1 3.85Å; L242-I287 HydrophobicContact CD2-CD1 4.08Å; L242-F360 HydrophobicContact CB-CD2 4.42Å; L242-F360 HydrophobicContact CB-CE1 4.43Å; L242-F360 HydrophobicContact CB-CE2 4.01Å; L242-F360 HydrophobicContact CB-CZ 4.02Å; L242-F360 HydrophobicContact CD2-CZ 4.17Å; L242-F360 VanDerWaalsContact O-CE2 3.27Å; L242-F360 WeakPolarHBondContact O-CE2 3.22Å |
| 243 | S | 73 | Confident | 72.6 | Confident | 28 Ų | 28 | 31.4 Ų | 31.4 | 20% | 0.196 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.5 | -36.3 | 178.1 | 67.8 | 0 | 0 | 0 | 0 | 113.1 | I239 S240 N245 I246 | I239-S243 PolarHBondContact O-N 3.5Å; I239-S243 PolarHBondContact O-OG 3.03Å; S240-S243 WeakPolarHBondContact CA-OG 3.47Å; S240-S243 PolarHBondContact O-N 2.81Å; S240-S243 VanDerWaalsContact O-N 3.16Å; S240-S243 PolarHBondContact O-OG 3.29Å; S243-N245 VanDerWaalsContact C-N 3.27Å; S243-N245 PolarHBondContact O-N 3.37Å; S243-I246 WeakPolarHBondContact O-CB 3.1Å; S243-I246 VanDerWaalsContact O-CG2 3.26Å; S243-I246 WeakPolarHBondContact O-CG2 3.2Å; S243-I246 PolarHBondContact O-N 3.3Å |
| 244 | D | 75.1 | Confident | 73 | Confident | 87 Ų | 87 | 28.9 Ų | 28.9 | 47% | 0.465 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.5 | -35.3 | 173.4 | -66.7 | -12 | 0 | 0 | 0 | 112.1 | R199 S240 L242 | R199-D244 IonicContact CZ-OD2 3.24Å; R199-D244 IonicContact NE-OD2 3.23Å; R199-D244 PolarHBondContact NE-OD2 2.87Å; R199-D244 IonicContact NH2-OD1 3.08Å; R199-D244 PolarHBondContact NH2-OD1 3.12Å; R199-D244 IonicContact NH2-OD2 3.36Å; R199-D244 PolarHBondContact NH2-OD2 2.97Å; S240-D244 VanDerWaalsContact O-CG 3.24Å; S240-D244 PolarHBondContact O-N 2.77Å; L242-D244 VanDerWaalsContact C-N 3.34Å; L242-D244 PolarHBondContact O-N 2.9Å |
| 245 | N | 73 | Confident | 72.8 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 8 | -174.5 | -78.1 | -68.6 | 0 | 0 | 0 | 113.6 | F188 S191 V192 N195 S241 L242 S243 L247 L248 | F188-N245 HydrophobicContact CD2-CB 4.42Å; F188-N245 HydrophobicContact CE2-CB 3.98Å; S191-N245 WeakPolarHBondContact CB-OD1 3.46Å; S191-N245 PolarHBondContact OG-OD1 3.36Å; V192-N245 HydrophobicContact CG2-CB 3.76Å; N195-N245 PolarHBondContact ND2-ND2 3.19Å; S241-N245 PolarHBondContact O-ND2 3.27Å; L242-N245 CarbonylContact O-C 3.42Å; L242-N245 PolarHBondContact O-N 3.19Å; L242-N245 VanDerWaalsContact O-N 3.11Å; S243-N245 VanDerWaalsContact C-N 3.27Å; S243-N245 PolarHBondContact O-N 3.37Å; N245-L247 VanDerWaalsContact C-N 3.25Å; N245-L247 PolarHBondContact O-N 3.26Å; N245-L247 VanDerWaalsContact O-N 3.16Å; N245-L248 PolarHBondContact O-N 2.64Å |
| 246 | I | 71.9 | Confident | 72.5 | Confident | 39 Ų | 39 | 29.3 Ų | 29.3 | 20% | 0.2 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -56.9 | -33.7 | -173.3 | -165.2 | 171.9 | 0 | 0 | 0 | 114.2 | L242 S243 L248 F360 F363 | L242-I246 PolarHBondContact O-N 3.47Å; S243-I246 WeakPolarHBondContact O-CB 3.1Å; S243-I246 VanDerWaalsContact O-CG2 3.26Å; S243-I246 WeakPolarHBondContact O-CG2 3.2Å; S243-I246 PolarHBondContact O-N 3.3Å; I246-L248 VanDerWaalsContact C-N 3.32Å; I246-F360 HydrophobicContact CB-CD2 4.05Å; I246-F360 HydrophobicContact CB-CE2 4.37Å; I246-F360 HydrophobicContact CD1-CB 4.35Å; I246-F360 HydrophobicContact CD1-CD2 4.02Å; I246-F360 HydrophobicContact CG1-CD2 3.79Å; I246-F360 HydrophobicContact CG1-CE2 4.31Å; I246-F363 HydrophobicContact CD1-CB 3.94Å; I246-F363 HydrophobicContact CD1-CD1 3.76Å; I246-F363 HydrophobicContact CD1-CE1 4.47Å; I246-F363 HydrophobicContact CD1-CG 3.91Å; I246-F363 HydrophobicContact CG1-CD1 3.53Å; I246-F363 HydrophobicContact CG1-CE1 3.93Å; I246-F363 HydrophobicContact CG1-CG 4.21Å |
| 247 | L | 69.8 | Low | 72.5 | Confident | 152 Ų | 152 | 27.8 Ų | 27.8 | 80% | 0.796 | 15% | 0.147 | S | C | * | . | G | 310 helix | trans | -80.2 | -9.7 | 178.2 | -63.4 | 178.4 | 0 | 0 | 0 | 114 | N245 | N245-L247 VanDerWaalsContact C-N 3.25Å; N245-L247 PolarHBondContact O-N 3.26Å; N245-L247 VanDerWaalsContact O-N 3.16Å |
| 248 | L | 72.8 | Confident | 72.4 | Confident | 98 Ų | 98 | 26.9 Ų | 26.9 | 51% | 0.513 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -100.6 | 5.2 | 177.2 | -63.6 | 175.2 | 0 | 0 | 0 | 112.3 | F188 N245 I246 | F188-L248 HydrophobicContact CD2-CB 4.16Å; F188-L248 VanDerWaalsContact CD2-O 3.31Å; F188-L248 WeakPolarHBondContact CD2-O 3.46Å; N245-L248 PolarHBondContact O-N 2.64Å; I246-L248 VanDerWaalsContact C-N 3.32Å |
| 249 | F | 75.6 | Confident | 72.1 | Confident | 15 Ų | 15 | 27.3 Ų | 27.3 | 7% | 0.066 | 14% | 0.144 | C | C | . | . | trans | -63.3 | 132.2 | -176.5 | -167.1 | -88.7 | 0 | 0 | 0 | 111.3 | F188 Q251 V253 L254 F360 I364 | F188-F249 HydrophobicContact CE1-CD2 4.03Å; F188-F249 HydrophobicContact CE1-CE2 4.21Å; F188-F249 HydrophobicContact CE2-CB 4.31Å; F188-F249 AromaticContact CE2-CD2 3.94Å; F188-F249 HydrophobicContact CE2-CD2 3.94Å; F188-F249 AromaticContact CZ-CD2 3.56Å; F188-F249 HydrophobicContact CZ-CD2 3.56Å; F188-F249 HydrophobicContact CZ-CE2 4.09Å; F249-Q251 PolarHBondContact O-N 3.03Å; F249-V253 HydrophobicContact CE1-CB 3.94Å; F249-V253 HydrophobicContact CE1-CG1 3.73Å; F249-V253 HydrophobicContact CZ-CB 4.33Å; F249-V253 HydrophobicContact CZ-CG1 3.76Å; F249-L254 HydrophobicContact CD1-CD1 4.24Å; F249-L254 HydrophobicContact CD1-CD2 3.64Å; F249-L254 HydrophobicContact CD1-CG 3.73Å; F249-L254 HydrophobicContact CE1-CD2 3.71Å; F249-L254 HydrophobicContact CE1-CG 3.99Å; F249-F360 HydrophobicContact CD2-CZ 4.41Å; F249-I364 HydrophobicContact CD1-CD1 4.37Å; F249-I364 HydrophobicContact CD1-CG1 4.21Å; F249-I364 HydrophobicContact CD1-CG2 4.4Å; F249-I364 HydrophobicContact CD2-CD1 3.55Å; F249-I364 HydrophobicContact CD2-CG1 4.21Å; F249-I364 HydrophobicContact CE1-CD1 4.47Å; F249-I364 HydrophobicContact CE1-CG1 4.46Å; F249-I364 HydrophobicContact CE1-CG2 3.92Å; F249-I364 HydrophobicContact CE2-CD1 3.66Å; F249-I364 HydrophobicContact CE2-CG1 4.47Å; F249-I364 HydrophobicContact CG-CD1 3.93Å; F249-I364 HydrophobicContact CG-CG1 4.07Å; F249-I364 HydrophobicContact CZ-CD1 4.13Å; F249-I364 HydrophobicContact CZ-CG2 4.07Å | ||
| 250 | P | 72.8 | Confident | 71.6 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.013 | 14% | 0.144 | C | C | . | . | trans | -70.5 | 128.6 | -162.9 | -20.6 | 33.7 | 0 | 0 | 0 | 114 | D184 V185 F188 S252 V253 L254 | D184-P250 HydrophobicContact CB-CB 4.27Å; V185-P250 HydrophobicContact CB-CB 4.48Å; V185-P250 HydrophobicContact CB-CG 4.34Å; V185-P250 HydrophobicContact CG2-CB 3.61Å; V185-P250 HydrophobicContact CG2-CG 3.87Å; F188-P250 HydrophobicContact CB-CG 3.7Å; F188-P250 HydrophobicContact CD1-CG 4.03Å; F188-P250 HydrophobicContact CG-CG 3.95Å; P250-S252 PolarHBondContact O-N 2.98Å; P250-V253 HydrophobicContact CB-CB 4.35Å; P250-V253 HydrophobicContact CB-CG2 3.83Å; P250-V253 HydrophobicContact CG-CG2 4.1Å; P250-V253 WeakPolarHBondContact O-CB 3.15Å; P250-V253 PolarHBondContact O-N 2.98Å; P250-L254 PolarHBondContact O-N 2.9Å; P250-L254 VanDerWaalsContact O-N 3.14Å | ||
| 251 | Q | 68 | Low | 71.4 | Confident | 82 Ų | 82 | 28.3 Ų | 28.3 | 38% | 0.383 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -57.1 | -35.1 | 179.1 | -174.8 | 63.3 | 20.9 | 0 | 0 | 112.8 | F249 L254 I255 M371 | F249-Q251 PolarHBondContact O-N 3.03Å; Q251-L254 PolarHBondContact O-N 2.99Å; Q251-I255 HydrophobicContact CG-CD1 4.13Å; Q251-I255 WeakPolarHBondContact O-CG1 3.33Å; Q251-I255 PolarHBondContact O-N 3.43Å; Q251-I255 VanDerWaalsContact O-N 3.07Å; Q251-M371 PolarHBondContact NE2-SD 2.95Å; Q251-M371 PolarHBondContact OE1-SD 3.36Å; Q251-M371 VanDerWaalsContact OE1-SD 3.39Å |
| 252 | S | 64.5 | Low | 71.1 | Confident | 7 Ų | 7 | 33 Ų | 33 | 5% | 0.049 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.2 | -37.4 | 176.7 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | T182 V185 P250 L256 | T182-S252 PolarHBondContact OG1-OG 3.13Å; V185-S252 WeakPolarHBondContact CG2-OG 3.45Å; P250-S252 PolarHBondContact O-N 2.98Å; S252-L256 PolarHBondContact O-N 3.47Å; S252-L256 VanDerWaalsContact O-N 3.1Å |
| 253 | V | 71.3 | Confident | 70.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70 | -40.4 | 175.5 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | L178 V185 F249 P250 L256 L257 F286 | L178-V253 HydrophobicContact CD1-CG2 4.04Å; V185-V253 HydrophobicContact CG2-CG2 3.89Å; F249-V253 HydrophobicContact CE1-CB 3.94Å; F249-V253 HydrophobicContact CE1-CG1 3.73Å; F249-V253 HydrophobicContact CZ-CB 4.33Å; F249-V253 HydrophobicContact CZ-CG1 3.76Å; P250-V253 HydrophobicContact CB-CB 4.35Å; P250-V253 HydrophobicContact CB-CG2 3.83Å; P250-V253 HydrophobicContact CG-CG2 4.1Å; P250-V253 WeakPolarHBondContact O-CB 3.15Å; P250-V253 PolarHBondContact O-N 2.98Å; V253-L256 PolarHBondContact O-N 3.32Å; V253-L257 VanDerWaalsContact O-CB 3.31Å; V253-L257 WeakPolarHBondContact O-CB 3.08Å; V253-L257 PolarHBondContact O-N 3.13Å; V253-F286 HydrophobicContact CG2-CE1 4.23Å; V253-F286 HydrophobicContact CG2-CE2 4.32Å; V253-F286 HydrophobicContact CG2-CZ 3.9Å |
| 254 | L | 73.3 | Confident | 70.3 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 5% | 0.052 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 176.7 | -66.2 | 172.8 | 0 | 0 | 0 | 112.3 | F249 P250 Q251 L257 G258 I364 A367 A368 M371 | F249-L254 HydrophobicContact CD1-CD1 4.24Å; F249-L254 HydrophobicContact CD1-CD2 3.64Å; F249-L254 HydrophobicContact CD1-CG 3.73Å; F249-L254 HydrophobicContact CE1-CD2 3.71Å; F249-L254 HydrophobicContact CE1-CG 3.99Å; P250-L254 PolarHBondContact O-N 2.9Å; P250-L254 VanDerWaalsContact O-N 3.14Å; Q251-L254 PolarHBondContact O-N 2.99Å; L254-L257 PolarHBondContact O-N 2.94Å; L254-G258 PolarHBondContact O-N 3.22Å; L254-I364 HydrophobicContact CD2-CB 4.46Å; L254-I364 HydrophobicContact CD2-CG2 3.85Å; L254-I364 WeakPolarHBondContact CD2-O 3.46Å; L254-A367 HydrophobicContact CD1-CB 4.07Å; L254-A367 HydrophobicContact CD2-CB 4.13Å; L254-A368 HydrophobicContact CD2-CB 4.26Å; L254-A368 WeakPolarHBondContact O-CB 3.45Å; L254-M371 HydrophobicContact CB-SD 3.6Å; L254-M371 HydrophobicContact CD1-CE 4.05Å; L254-M371 HydrophobicContact CD1-SD 3.63Å; L254-M371 HydrophobicContact CG-SD 4.22Å |
| 255 | I | 67.6 | Low | 69.9 | Low | 16 Ų | 16 | 33 Ų | 33 | 8% | 0.082 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 175.4 | -67.8 | 164.5 | 0 | 0 | 0 | 110.5 | Q251 N259 M371 F373 | Q251-I255 HydrophobicContact CG-CD1 4.13Å; Q251-I255 WeakPolarHBondContact O-CG1 3.33Å; Q251-I255 PolarHBondContact O-N 3.43Å; Q251-I255 VanDerWaalsContact O-N 3.07Å; I255-N259 PolarHBondContact O-N 2.93Å; I255-N259 VanDerWaalsContact O-N 3.12Å; I255-N259 PolarHBondContact O-ND2 3.19Å; I255-M371 HydrophobicContact CG1-CB 4.08Å; I255-F373 HydrophobicContact CG2-CE1 4.09Å; I255-F373 HydrophobicContact CG2-CE2 3.78Å; I255-F373 HydrophobicContact CG2-CZ 3.52Å |
| 256 | L | 68.9 | Low | 69.4 | Low | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.8 | -50.6 | 174.6 | 178.3 | 62.3 | 0 | 0 | 0 | 111.5 | I150 L154 L174 L178 S252 V253 G258 N259 M260 F281 | I150-L256 HydrophobicContact CG2-CD1 4.07Å; L154-L256 HydrophobicContact CD1-CD1 3.59Å; L154-L256 HydrophobicContact CD2-CD1 4Å; L154-L256 HydrophobicContact CG-CD1 4.26Å; L174-L256 HydrophobicContact CB-CD2 4.34Å; L174-L256 HydrophobicContact CD2-CD1 4.1Å; L178-L256 HydrophobicContact CD1-CB 4.15Å; L178-L256 HydrophobicContact CD1-CD2 3.36Å; L178-L256 HydrophobicContact CD1-CG 4.36Å; L178-L256 HydrophobicContact CG-CD2 4.3Å; S252-L256 PolarHBondContact O-N 3.47Å; S252-L256 VanDerWaalsContact O-N 3.1Å; V253-L256 PolarHBondContact O-N 3.32Å; L256-G258 PolarHBondContact O-N 3.09Å; L256-N259 PolarHBondContact O-N 3.45Å; L256-M260 HydrophobicContact CD1-CE 4Å; L256-M260 HydrophobicContact CD1-CG 4.17Å; L256-M260 HydrophobicContact CD1-SD 4.31Å; L256-M260 HydrophobicContact CD2-CE 4.03Å; L256-M260 HydrophobicContact CD2-SD 4.35Å; L256-M260 HydrophobicContact CG-CE 4.11Å; L256-M260 HydrophobicContact CG-CG 4.34Å; L256-M260 HydrophobicContact CG-SD 4.03Å; L256-M260 WeakPolarHBondContact O-CG 3.15Å; L256-M260 PolarHBondContact O-N 3.34Å; L256-F281 HydrophobicContact CD2-CE1 4.2Å; L256-F281 HydrophobicContact CD2-CZ 3.75Å |
| 257 | L | 73.7 | Confident | 68.8 | Low | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.4 | -41.8 | -175.9 | -169.8 | 73.2 | 0 | 0 | 0 | 111.7 | V253 L254 M260 R261 C278 F281 I282 I364 L365 A368 | V253-L257 VanDerWaalsContact O-CB 3.31Å; V253-L257 WeakPolarHBondContact O-CB 3.08Å; V253-L257 PolarHBondContact O-N 3.13Å; L254-L257 PolarHBondContact O-N 2.94Å; L257-M260 PolarHBondContact O-N 3.47Å; L257-R261 VanDerWaalsContact O-CB 3.24Å; L257-R261 WeakPolarHBondContact O-CB 3.2Å; L257-R261 PolarHBondContact O-N 3.12Å; L257-C278 HydrophobicContact CD1-CB 3.91Å; L257-F281 HydrophobicContact CD1-CD1 4.29Å; L257-I282 HydrophobicContact CD1-CD1 4.44Å; L257-I282 HydrophobicContact CD1-CG1 4.46Å; L257-I282 HydrophobicContact CD2-CD1 3.85Å; L257-I282 HydrophobicContact CD2-CG1 4.47Å; L257-I364 HydrophobicContact CD2-CG2 4Å; L257-L365 HydrophobicContact CD2-CD2 4.37Å; L257-A368 HydrophobicContact CB-CB 4.07Å; L257-A368 HydrophobicContact CD2-CB 3.9Å; L257-A368 HydrophobicContact CG-CB 4.21Å |
| 258 | G | 73.1 | Confident | 68.3 | Low | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L254 L256 R261 R262 A368 A372 | L254-G258 PolarHBondContact O-N 3.22Å; L256-G258 PolarHBondContact O-N 3.09Å; G258-R261 PolarHBondContact O-N 3.21Å; G258-R262 PolarHBondContact O-N 3.37Å; G258-A368 WeakPolarHBondContact CA-O 3.14Å; G258-A372 VanDerWaalsContact C-CB 3.47Å |
| 259 | N | 67.3 | Low | 67.9 | Low | 12 Ų | 12 | 36.6 Ų | 36.6 | 6% | 0.064 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.4 | -48 | 174.4 | -67 | -35.1 | 0 | 0 | 0 | 111.2 | I255 L256 R261 R262 I263 F373 | I255-N259 PolarHBondContact O-N 2.93Å; I255-N259 VanDerWaalsContact O-N 3.12Å; I255-N259 PolarHBondContact O-ND2 3.19Å; L256-N259 PolarHBondContact O-N 3.45Å; N259-R261 VanDerWaalsContact C-N 3.27Å; N259-R261 PolarHBondContact O-N 3.11Å; N259-R262 PolarHBondContact O-N 3.45Å; N259-I263 WeakPolarHBondContact O-CB 3.43Å; N259-I263 VanDerWaalsContact O-CG1 3.23Å; N259-I263 WeakPolarHBondContact O-CG1 3.43Å; N259-I263 PolarHBondContact O-N 3.26Å; N259-F373 WeakPolarHBondContact ND2-CD2 3.45Å; N259-F373 WeakPolarHBondContact ND2-CE2 3.19Å; N259-F373 PolarHBondContact OD1-N 2.93Å |
| 260 | M | 67.1 | Low | 67.7 | Low | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.5 | -41.3 | 174.1 | -77.6 | -179 | 163 | 0 | 0 | 112.2 | L171 L174 L256 L257 I263 W264 F281 | L171-M260 HydrophobicContact CD2-CE 3.51Å; L174-M260 HydrophobicContact CD1-CE 3.83Å; L256-M260 HydrophobicContact CD1-CE 4Å; L256-M260 HydrophobicContact CD1-CG 4.17Å; L256-M260 HydrophobicContact CD1-SD 4.31Å; L256-M260 HydrophobicContact CD2-CE 4.03Å; L256-M260 HydrophobicContact CD2-SD 4.35Å; L256-M260 HydrophobicContact CG-CE 4.11Å; L256-M260 HydrophobicContact CG-CG 4.34Å; L256-M260 HydrophobicContact CG-SD 4.03Å; L256-M260 WeakPolarHBondContact O-CG 3.15Å; L256-M260 PolarHBondContact O-N 3.34Å; L257-M260 PolarHBondContact O-N 3.47Å; M260-I263 WeakPolarHBondContact O-CB 3.46Å; M260-I263 PolarHBondContact O-N 3.03Å; M260-W264 HydrophobicContact CB-CD2 4.5Å; M260-W264 HydrophobicContact CB-CE3 4.31Å; M260-W264 HydrophobicContact CB-CH2 4.04Å; M260-W264 HydrophobicContact CB-CZ2 4.22Å; M260-W264 HydrophobicContact CB-CZ3 4.08Å; M260-W264 HydrophobicContact CG-CH2 4.4Å; M260-W264 HydrophobicContact CG-CZ2 4.37Å; M260-W264 VanDerWaalsContact O-CG 3.31Å; M260-W264 PolarHBondContact O-N 3.15Å; M260-W264 HydrophobicContact SD-CH2 3.94Å; M260-W264 HydrophobicContact SD-CZ2 4.2Å; M260-F281 HydrophobicContact CE-CE2 4.27Å; M260-F281 HydrophobicContact CE-CZ 4.48Å |
| 261 | R | 70.7 | Confident | 67.4 | Low | 37 Ų | 37 | 45.1 Ų | 45.1 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.3 | -35.2 | 179.3 | -174.6 | 161.6 | 169.2 | -137.6 | -21 | 113.2 | L257 G258 N259 S265 V274 L365 D369 | L257-R261 VanDerWaalsContact O-CB 3.24Å; L257-R261 WeakPolarHBondContact O-CB 3.2Å; L257-R261 PolarHBondContact O-N 3.12Å; G258-R261 PolarHBondContact O-N 3.21Å; N259-R261 VanDerWaalsContact C-N 3.27Å; N259-R261 PolarHBondContact O-N 3.11Å; R261-S265 WeakPolarHBondContact O-CB 3.43Å; R261-S265 PolarHBondContact O-N 3.08Å; R261-S265 VanDerWaalsContact O-N 3.09Å; R261-S265 PolarHBondContact O-OG 3.13Å; R261-V274 HydrophobicContact CG-CG1 3.83Å; R261-L365 PolarHBondContact NH1-O 3.19Å; R261-D369 VanDerWaalsContact CZ-CG 3.44Å; R261-D369 IonicContact CZ-OD1 2.84Å; R261-D369 IonicContact CZ-OD2 3.17Å; R261-D369 IonicContact NE-OD1 3.07Å; R261-D369 IonicContact NH1-OD1 3.04Å; R261-D369 PolarHBondContact NH1-OD1 3.14Å; R261-D369 IonicContact NH1-OD2 3.36Å; R261-D369 PolarHBondContact NH1-OD2 3.18Å; R261-D369 IonicContact NH2-OD1 2.65Å; R261-D369 PolarHBondContact NH2-OD1 3.08Å; R261-D369 IonicContact NH2-OD2 2.88Å; R261-D369 PolarHBondContact NH2-OD2 2.81Å |
| 262 | R | 68.6 | Low | 67.5 | Low | 99 Ų | 99 | 47.7 Ų | 47.7 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.9 | -37.2 | 168.2 | -74.3 | -171.5 | -177.1 | 158.4 | 12.1 | 112.2 | G258 N259 S265 T266 D369 A372 F373 | G258-R262 PolarHBondContact O-N 3.37Å; N259-R262 PolarHBondContact O-N 3.45Å; R262-S265 PolarHBondContact O-OG 3.45Å; R262-S265 VanDerWaalsContact O-OG 3.08Å; R262-T266 PolarHBondContact O-N 3.02Å; R262-T266 PolarHBondContact O-OG1 3.21Å; R262-D369 PolarHBondContact NH2-O 3.46Å; R262-A372 HydrophobicContact CG-CB 4.48Å; R262-A372 VanDerWaalsContact CZ-CB 3.44Å; R262-A372 VanDerWaalsContact NH1-C 3.32Å; R262-A372 PolarHBondContact NH1-O 3.26Å; R262-A372 PolarHBondContact NH2-O 3.2Å; R262-F373 PolarHBondContact NH1-O 3.47Å |
| 263 | I | 64.4 | Low | 67.7 | Low | 27 Ų | 27 | 51.8 Ų | 51.8 | 14% | 0.138 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -53.6 | 176 | -71.8 | 166.6 | 0 | 0 | 0 | 110.4 | L158 N259 M260 S265 T266 A267 | L158-I263 HydrophobicContact CD1-CD1 3.66Å; L158-I263 HydrophobicContact CD1-CG1 3.91Å; L158-I263 HydrophobicContact CD2-CB 4.36Å; L158-I263 HydrophobicContact CD2-CD1 4.21Å; L158-I263 HydrophobicContact CD2-CG1 3.97Å; L158-I263 HydrophobicContact CD2-CG2 3.62Å; L158-I263 HydrophobicContact CG-CD1 4Å; L158-I263 HydrophobicContact CG-CG1 4.27Å; L158-I263 HydrophobicContact CG-CG2 4.46Å; N259-I263 WeakPolarHBondContact O-CB 3.43Å; N259-I263 VanDerWaalsContact O-CG1 3.23Å; N259-I263 WeakPolarHBondContact O-CG1 3.43Å; N259-I263 PolarHBondContact O-N 3.26Å; M260-I263 WeakPolarHBondContact O-CB 3.46Å; M260-I263 PolarHBondContact O-N 3.03Å; I263-S265 VanDerWaalsContact C-N 3.32Å; I263-S265 PolarHBondContact O-N 2.89Å; I263-T266 PolarHBondContact O-N 3.03Å; I263-T266 PolarHBondContact O-OG1 3.33Å; I263-A267 PolarHBondContact O-N 3.06Å |
| 264 | W | 67.8 | Low | 67.6 | Low | 16 Ų | 16 | 52 Ų | 52 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.1 | -28.1 | -177.9 | -61.8 | -32 | 0 | 0 | 0 | 113.4 | Y166 M260 A267 L269 V274 A277 | Y166-W264 AromaticContact CD2-CZ2 3.86Å; Y166-W264 HydrophobicContact CD2-CZ2 3.86Å; Y166-W264 AromaticContact CD2-NE1 3.69Å; Y166-W264 HydrophobicContact CE2-CZ2 4.02Å; Y166-W264 AromaticContact CE2-NE1 3.49Å; M260-W264 HydrophobicContact CB-CD2 4.5Å; M260-W264 HydrophobicContact CB-CE3 4.31Å; M260-W264 HydrophobicContact CB-CH2 4.04Å; M260-W264 HydrophobicContact CB-CZ2 4.22Å; M260-W264 HydrophobicContact CB-CZ3 4.08Å; M260-W264 HydrophobicContact CG-CH2 4.4Å; M260-W264 HydrophobicContact CG-CZ2 4.37Å; M260-W264 VanDerWaalsContact O-CG 3.31Å; M260-W264 PolarHBondContact O-N 3.15Å; M260-W264 HydrophobicContact SD-CH2 3.94Å; M260-W264 HydrophobicContact SD-CZ2 4.2Å; W264-A267 PolarHBondContact O-N 3.19Å; W264-L269 HydrophobicContact CB-CD1 4.12Å; W264-L269 HydrophobicContact CG-CD1 4.46Å; W264-V274 HydrophobicContact CB-CG1 4.23Å; W264-V274 HydrophobicContact CB-CG2 3.99Å; W264-V274 HydrophobicContact CE3-CG1 4.39Å; W264-A277 HydrophobicContact CE3-CB 3.93Å; W264-A277 HydrophobicContact CH2-CB 3.89Å; W264-A277 HydrophobicContact CZ2-CB 4.48Å; W264-A277 HydrophobicContact CZ3-CB 3.58Å |
| 265 | S | 66.7 | Low | 67.6 | Low | 75 Ų | 75 | 53.7 Ų | 53.7 | 52% | 0.524 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -73.1 | -27.1 | 174.1 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | R261 R262 I263 A267 | R261-S265 WeakPolarHBondContact O-CB 3.43Å; R261-S265 PolarHBondContact O-N 3.08Å; R261-S265 VanDerWaalsContact O-N 3.09Å; R261-S265 PolarHBondContact O-OG 3.13Å; R262-S265 PolarHBondContact O-OG 3.45Å; R262-S265 VanDerWaalsContact O-OG 3.08Å; I263-S265 VanDerWaalsContact C-N 3.32Å; I263-S265 PolarHBondContact O-N 2.89Å; S265-A267 PolarHBondContact O-N 2.94Å |
| 266 | T | 62.4 | Low | 67.8 | Low | 115 Ų | 115 | 59.3 Ų | 59.3 | 71% | 0.706 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -76.3 | -9.7 | 170.4 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | R262 I263 | R262-T266 PolarHBondContact O-N 3.02Å; R262-T266 PolarHBondContact O-OG1 3.21Å; I263-T266 PolarHBondContact O-N 3.03Å; I263-T266 PolarHBondContact O-OG1 3.33Å |
| 267 | A | 59 | Low | 67.9 | Low | 33 Ų | 33 | 60 Ų | 60 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 17.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | I263 W264 S265 L269 | I263-A267 PolarHBondContact O-N 3.06Å; W264-A267 PolarHBondContact O-N 3.19Å; S265-A267 PolarHBondContact O-N 2.94Å; A267-L269 PolarHBondContact O-N 3.18Å |
| 268 | N | 59.2 | Low | 67.8 | Low | 164 Ų | 164 | 60 Ų | 60 | 88% | 0.877 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 19.3 | -177.9 | -74.1 | -17.7 | 0 | 0 | 0 | 116 | ||
| 269 | L | 64.6 | Low | 67.9 | Low | 56 Ų | 56 | 60.2 Ų | 60.2 | 29% | 0.293 | 31% | 0.307 | S | S | . | . | trans | -74.6 | 148.5 | 172.3 | -70.5 | 167.6 | 0 | 0 | 0 | 111.3 | M165 W264 A267 V274 | M165-L269 HydrophobicContact CE-CD1 4.17Å; W264-L269 HydrophobicContact CB-CD1 4.12Å; W264-L269 HydrophobicContact CG-CD1 4.46Å; A267-L269 PolarHBondContact O-N 3.18Å; L269-V274 HydrophobicContact CB-CG2 3.85Å | ||
| 270 | S | 70.4 | Confident | 68.3 | Low | 56 Ų | 56 | 62 Ų | 62 | 39% | 0.392 | 32% | 0.315 | S | S | . | . | trans | -71.8 | 151.3 | 176.7 | 74.5 | 0 | 0 | 0 | 0 | 111.5 | K272 E273 V274 | S270-K272 PolarHBondContact O-N 2.84Å; S270-K272 VanDerWaalsContact O-N 3.08Å; S270-E273 WeakPolarHBondContact CB-OE2 3.45Å; S270-E273 PolarHBondContact N-OE2 3.4Å; S270-E273 PolarHBondContact O-N 2.93Å; S270-E273 VanDerWaalsContact OG-CD 3.28Å; S270-E273 WeakPolarHBondContact OG-CG 3.17Å; S270-E273 PolarHBondContact OG-N 2.88Å; S270-E273 PolarHBondContact OG-OE2 3.08Å; S270-V274 WeakPolarHBondContact O-CG2 3.3Å; S270-V274 PolarHBondContact O-N 3.31Å | ||
| 271 | H | 66.9 | Low | 68.6 | Low | 141 Ų | 141 | 62.2 Ų | 62.2 | 65% | 0.653 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -56.4 | -30.7 | 179.8 | -168.1 | -99.9 | 0 | 0 | 0 | 112.9 | L275 | H271-L275 WeakPolarHBondContact CE1-CD1 3.24Å; H271-L275 VanDerWaalsContact NE2-CD1 3.32Å; H271-L275 WeakPolarHBondContact NE2-CD1 3.17Å; H271-L275 WeakPolarHBondContact O-CB 3.41Å; H271-L275 VanDerWaalsContact O-CG 3.26Å; H271-L275 WeakPolarHBondContact O-CG 3.14Å; H271-L275 PolarHBondContact O-N 2.93Å |
| 272 | K | 69.6 | Low | 68.8 | Low | 135 Ų | 135 | 60.7 Ų | 60.7 | 59% | 0.587 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -71.6 | -35.7 | 176.1 | -169.2 | 170.9 | -176.1 | 174.5 | 0 | 112.5 | S270 R276 | S270-K272 PolarHBondContact O-N 2.84Å; S270-K272 VanDerWaalsContact O-N 3.08Å; K272-R276 VanDerWaalsContact O-CB 3.26Å; K272-R276 WeakPolarHBondContact O-CB 3.37Å; K272-R276 PolarHBondContact O-N 3.19Å |
| 273 | E | 69 | Low | 69.2 | Low | 93 Ų | 93 | 56.1 Ų | 56.1 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -71.7 | -39.6 | 175.1 | -68.5 | 160.2 | 129.3 | 0 | 0 | 111.6 | S270 R276 A277 | S270-E273 WeakPolarHBondContact CB-OE2 3.45Å; S270-E273 PolarHBondContact N-OE2 3.4Å; S270-E273 PolarHBondContact O-N 2.93Å; S270-E273 VanDerWaalsContact OG-CD 3.28Å; S270-E273 WeakPolarHBondContact OG-CG 3.17Å; S270-E273 PolarHBondContact OG-N 2.88Å; S270-E273 PolarHBondContact OG-OE2 3.08Å; E273-R276 PolarHBondContact O-N 2.88Å; E273-A277 WeakPolarHBondContact O-CB 3.31Å; E273-A277 PolarHBondContact O-N 2.83Å |
| 274 | V | 70.5 | Confident | 69.6 | Low | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.8 | -45 | 174.7 | 179 | 0 | 0 | 0 | 0 | 111 | R261 W264 L269 S270 A277 C278 | R261-V274 HydrophobicContact CG-CG1 3.83Å; W264-V274 HydrophobicContact CB-CG1 4.23Å; W264-V274 HydrophobicContact CB-CG2 3.99Å; W264-V274 HydrophobicContact CE3-CG1 4.39Å; L269-V274 HydrophobicContact CB-CG2 3.85Å; S270-V274 WeakPolarHBondContact O-CG2 3.3Å; S270-V274 PolarHBondContact O-N 3.31Å; V274-A277 PolarHBondContact O-N 3.2Å; V274-C278 PolarHBondContact O-N 2.88Å; V274-C278 PolarHBondContact O-SG 3.2Å |
| 275 | L | 72 | Confident | 69.7 | Low | 45 Ų | 45 | 57.9 Ų | 57.9 | 24% | 0.236 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 172.8 | -77.3 | 175.2 | 0 | 0 | 0 | 111.8 | H271 A277 C278 V279 L365 | H271-L275 WeakPolarHBondContact CE1-CD1 3.24Å; H271-L275 VanDerWaalsContact NE2-CD1 3.32Å; H271-L275 WeakPolarHBondContact NE2-CD1 3.17Å; H271-L275 WeakPolarHBondContact O-CB 3.41Å; H271-L275 VanDerWaalsContact O-CG 3.26Å; H271-L275 WeakPolarHBondContact O-CG 3.14Å; H271-L275 PolarHBondContact O-N 2.93Å; L275-A277 PolarHBondContact O-N 3.08Å; L275-C278 PolarHBondContact O-N 3.05Å; L275-V279 WeakPolarHBondContact O-CB 3.35Å; L275-V279 WeakPolarHBondContact O-CG2 3.31Å; L275-V279 PolarHBondContact O-N 3.48Å; L275-L365 HydrophobicContact CD2-CD1 3.56Å; L275-L365 HydrophobicContact CD2-CD2 4.21Å |
| 276 | R | 72.7 | Confident | 70 | Confident | 134 Ų | 134 | 54.4 Ų | 54.4 | 51% | 0.506 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 177 | 174.6 | 169 | -170.2 | 152.7 | 18.8 | 111.9 | K272 E273 C278 V279 E280 I325 | K272-R276 VanDerWaalsContact O-CB 3.26Å; K272-R276 WeakPolarHBondContact O-CB 3.37Å; K272-R276 PolarHBondContact O-N 3.19Å; E273-R276 PolarHBondContact O-N 2.88Å; R276-C278 VanDerWaalsContact C-N 3.35Å; R276-C278 PolarHBondContact O-N 2.85Å; R276-V279 PolarHBondContact O-N 3.02Å; R276-E280 HydrophobicContact CG-CG 4.43Å; R276-E280 WeakPolarHBondContact CG-OE1 3.37Å; R276-E280 IonicContact CZ-OE1 2.66Å; R276-E280 VanDerWaalsContact CZ-OE1 3.29Å; R276-E280 IonicContact NE-OE1 3.75Å; R276-E280 PolarHBondContact NE-OE1 3.13Å; R276-E280 IonicContact NH2-OE1 3.23Å; R276-E280 PolarHBondContact NH2-OE1 2.95Å; R276-E280 WeakPolarHBondContact O-CB 3.41Å; R276-E280 PolarHBondContact O-N 3.2Å; R276-I325 HydrophobicContact CB-CD1 4.07Å; R276-I325 HydrophobicContact CG-CD1 3.79Å |
| 277 | A | 70.3 | Confident | 70.5 | Confident | 16 Ų | 16 | 49 Ų | 49 | 13% | 0.132 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M165 W264 E273 V274 L275 F281 | M165-A277 HydrophobicContact CE-CB 4.13Å; M165-A277 HydrophobicContact SD-CB 4.32Å; W264-A277 HydrophobicContact CE3-CB 3.93Å; W264-A277 HydrophobicContact CH2-CB 3.89Å; W264-A277 HydrophobicContact CZ2-CB 4.48Å; W264-A277 HydrophobicContact CZ3-CB 3.58Å; E273-A277 WeakPolarHBondContact O-CB 3.31Å; E273-A277 PolarHBondContact O-N 2.83Å; V274-A277 PolarHBondContact O-N 3.2Å; L275-A277 PolarHBondContact O-N 3.08Å; A277-F281 VanDerWaalsContact O-CB 3.26Å; A277-F281 WeakPolarHBondContact O-CB 3.07Å; A277-F281 PolarHBondContact O-N 3.29Å |
| 278 | C | 71.9 | Confident | 71.1 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 174.5 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | L257 V274 L275 R276 F281 I282 L365 | L257-C278 HydrophobicContact CD1-CB 3.91Å; V274-C278 PolarHBondContact O-N 2.88Å; V274-C278 PolarHBondContact O-SG 3.2Å; L275-C278 PolarHBondContact O-N 3.05Å; R276-C278 VanDerWaalsContact C-N 3.35Å; R276-C278 PolarHBondContact O-N 2.85Å; C278-F281 PolarHBondContact O-N 3.22Å; C278-I282 WeakPolarHBondContact O-CD1 3.49Å; C278-I282 VanDerWaalsContact O-CG1 3.28Å; C278-I282 WeakPolarHBondContact O-CG1 3.23Å; C278-I282 PolarHBondContact O-N 2.81Å; C278-I282 VanDerWaalsContact O-N 3.08Å; C278-L365 HydrophobicContact CB-CD2 3.86Å |
| 279 | V | 75 | Confident | 71.7 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.2 | -46.9 | -178.9 | 170 | 0 | 0 | 0 | 0 | 111 | L275 R276 F281 I282 F283 V324 I325 | L275-V279 WeakPolarHBondContact O-CB 3.35Å; L275-V279 WeakPolarHBondContact O-CG2 3.31Å; L275-V279 PolarHBondContact O-N 3.48Å; R276-V279 PolarHBondContact O-N 3.02Å; V279-F281 VanDerWaalsContact C-N 3.34Å; V279-F281 PolarHBondContact O-N 2.97Å; V279-I282 PolarHBondContact O-N 3.48Å; V279-F283 HydrophobicContact CG1-CD2 3.92Å; V279-F283 HydrophobicContact CG1-CE2 4.35Å; V279-F283 WeakPolarHBondContact O-CD2 3.04Å; V279-F283 PolarHBondContact O-N 3.04Å; V279-V324 HydrophobicContact CG1-CB 4.03Å; V279-V324 HydrophobicContact CG1-CG1 3.95Å; V279-V324 HydrophobicContact CG2-CG1 3.81Å; V279-I325 HydrophobicContact CG1-CD1 4.5Å |
| 280 | E | 75 | Confident | 71.8 | Confident | 49 Ų | 49 | 38 Ų | 38 | 23% | 0.229 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 175.3 | -70.6 | -169.8 | -149.7 | 0 | 0 | 110.9 | R276 I282 K284 D285 | R276-E280 HydrophobicContact CG-CG 4.43Å; R276-E280 WeakPolarHBondContact CG-OE1 3.37Å; R276-E280 IonicContact CZ-OE1 2.66Å; R276-E280 VanDerWaalsContact CZ-OE1 3.29Å; R276-E280 IonicContact NE-OE1 3.75Å; R276-E280 PolarHBondContact NE-OE1 3.13Å; R276-E280 IonicContact NH2-OE1 3.23Å; R276-E280 PolarHBondContact NH2-OE1 2.95Å; R276-E280 WeakPolarHBondContact O-CB 3.41Å; R276-E280 PolarHBondContact O-N 3.2Å; E280-I282 PolarHBondContact O-N 3.5Å; E280-K284 WeakPolarHBondContact O-CA 3.48Å; E280-K284 WeakPolarHBondContact O-CB 3.48Å; E280-K284 PolarHBondContact O-N 3.31Å; E280-K284 IonicContact OE2-NZ 3.82Å; E280-D285 PolarHBondContact O-N 3.44Å |
| 281 | F | 73.9 | Confident | 71.7 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -58.2 | -47.6 | 174.9 | -179.9 | -99.2 | 0 | 0 | 0 | 112.9 | L171 V175 L256 L257 M260 A277 C278 V279 D285 F286 | L171-F281 HydrophobicContact CB-CE2 4.43Å; L171-F281 HydrophobicContact CD2-CD2 4.15Å; L171-F281 HydrophobicContact CD2-CE2 4.17Å; V175-F281 HydrophobicContact CG2-CE2 3.57Å; V175-F281 HydrophobicContact CG2-CZ 3.66Å; L256-F281 HydrophobicContact CD2-CE1 4.2Å; L256-F281 HydrophobicContact CD2-CZ 3.75Å; L257-F281 HydrophobicContact CD1-CD1 4.29Å; M260-F281 HydrophobicContact CE-CE2 4.27Å; M260-F281 HydrophobicContact CE-CZ 4.48Å; A277-F281 VanDerWaalsContact O-CB 3.26Å; A277-F281 WeakPolarHBondContact O-CB 3.07Å; A277-F281 PolarHBondContact O-N 3.29Å; C278-F281 PolarHBondContact O-N 3.22Å; V279-F281 VanDerWaalsContact C-N 3.34Å; V279-F281 PolarHBondContact O-N 2.97Å; F281-D285 PolarHBondContact O-N 3.42Å; F281-F286 WeakPolarHBondContact O-CB 3.14Å; F281-F286 PolarHBondContact O-N 3.48Å |
| 282 | I | 75.1 | Confident | 71.6 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -64.7 | -52.8 | -179.4 | -66.5 | 160.7 | 0 | 0 | 0 | 111.4 | L257 C278 V279 E280 F286 I287 I364 | L257-I282 HydrophobicContact CD1-CD1 4.44Å; L257-I282 HydrophobicContact CD1-CG1 4.46Å; L257-I282 HydrophobicContact CD2-CD1 3.85Å; L257-I282 HydrophobicContact CD2-CG1 4.47Å; C278-I282 WeakPolarHBondContact O-CD1 3.49Å; C278-I282 VanDerWaalsContact O-CG1 3.28Å; C278-I282 WeakPolarHBondContact O-CG1 3.23Å; C278-I282 PolarHBondContact O-N 2.81Å; C278-I282 VanDerWaalsContact O-N 3.08Å; V279-I282 PolarHBondContact O-N 3.48Å; E280-I282 PolarHBondContact O-N 3.5Å; I282-F286 WeakPolarHBondContact O-CB 3.43Å; I282-I287 HydrophobicContact CG2-CD1 3.92Å; I282-I287 WeakPolarHBondContact O-CB 3.44Å; I282-I287 VanDerWaalsContact O-CG1 3.31Å; I282-I287 WeakPolarHBondContact O-CG1 3.37Å; I282-I287 PolarHBondContact O-N 3.33Å; I282-I364 HydrophobicContact CD1-CG2 3.94Å |
| 283 | F | 76.3 | Confident | 71.3 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 1% | 0.013 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -84.4 | -39.2 | -169.5 | -74 | -80.1 | 0 | 0 | 0 | 113 | L242 V279 I287 G288 I317 I320 S321 V324 L357 F360 | L242-F283 HydrophobicContact CD1-CE1 3.85Å; V279-F283 HydrophobicContact CG1-CD2 3.92Å; V279-F283 HydrophobicContact CG1-CE2 4.35Å; V279-F283 WeakPolarHBondContact O-CD2 3.04Å; V279-F283 PolarHBondContact O-N 3.04Å; F283-I287 HydrophobicContact CD1-CD1 4.43Å; F283-G288 WeakPolarHBondContact O-CA 3.47Å; F283-G288 PolarHBondContact O-N 2.92Å; F283-I317 WeakPolarHBondContact O-CG2 3.18Å; F283-I320 HydrophobicContact CD1-CB 4.28Å; F283-I320 HydrophobicContact CD1-CG2 3.73Å; F283-I320 HydrophobicContact CE1-CG2 3.55Å; F283-I320 HydrophobicContact CG-CG2 4.29Å; F283-I320 HydrophobicContact CZ-CG2 3.99Å; F283-S321 WeakPolarHBondContact CB-OG 3.46Å; F283-V324 HydrophobicContact CE2-CG2 4.46Å; F283-L357 HydrophobicContact CE1-CD1 4.3Å; F283-L357 HydrophobicContact CZ-CD1 3.9Å; F283-F360 HydrophobicContact CE1-CE1 4.42Å; F283-F360 HydrophobicContact CZ-CD1 4.11Å; F283-F360 AromaticContact CZ-CE1 3.96Å; F283-F360 HydrophobicContact CZ-CE1 3.96Å |
| 284 | K | 73.6 | Confident | 71 | Confident | 63 Ų | 63 | 26.8 Ų | 26.8 | 27% | 0.274 | 12% | 0.123 | S | C | . | . | I | π-helix | trans | -91.3 | -56.4 | -173.5 | -177.6 | 175.1 | -177.7 | 170.4 | 0 | 112.6 | E280 Y289 E318 | E280-K284 WeakPolarHBondContact O-CA 3.48Å; E280-K284 WeakPolarHBondContact O-CB 3.48Å; E280-K284 PolarHBondContact O-N 3.31Å; E280-K284 IonicContact OE2-NZ 3.82Å; K284-Y289 PolarHBondContact O-N 3.34Å; K284-E318 HydrophobicContact CB-CG 4.41Å; K284-E318 HydrophobicContact CD-CG 4.46Å; K284-E318 VanDerWaalsContact CE-OE2 3.22Å; K284-E318 WeakPolarHBondContact CE-OE2 3.17Å; K284-E318 HydrophobicContact CG-CG 3.97Å; K284-E318 IonicContact NZ-OE2 2.76Å |
| 285 | D | 69.5 | Low | 70.2 | Confident | 17 Ų | 17 | 30.8 Ų | 30.8 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -85.8 | -24.2 | -172.8 | -70.9 | -38.7 | 0 | 0 | 0 | 113.6 | K168 M172 E280 F281 Y289 | K168-D285 WeakPolarHBondContact CE-OD1 3.46Å; K168-D285 IonicContact NZ-OD1 3.92Å; K168-D285 PolarHBondContact NZ-OD1 2.98Å; M172-D285 HydrophobicContact CE-CB 4.38Å; M172-D285 VanDerWaalsContact CE-O 3.23Å; M172-D285 WeakPolarHBondContact CE-O 3.36Å; E280-D285 PolarHBondContact O-N 3.44Å; F281-D285 PolarHBondContact O-N 3.42Å; D285-Y289 WeakPolarHBondContact O-CB 3.31Å |
| 286 | F | 72.5 | Confident | 69.4 | Low | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -97 | -66.6 | 174.3 | 177.4 | -122.7 | 0 | 0 | 0 | 113.1 | V175 I179 V185 F188 L189 V253 F281 I282 A290 | V175-F286 HydrophobicContact CG1-CD2 4.42Å; I179-F286 HydrophobicContact CG1-CE2 4.44Å; V185-F286 HydrophobicContact CG1-CE2 3.7Å; V185-F286 HydrophobicContact CG1-CZ 3.91Å; F188-F286 HydrophobicContact CD1-CE1 4.47Å; F188-F286 HydrophobicContact CE1-CE1 4.29Å; L189-F286 HydrophobicContact CD1-CE2 4.13Å; L189-F286 HydrophobicContact CD1-CZ 4.31Å; L189-F286 HydrophobicContact CD2-CZ 4.2Å; L189-F286 HydrophobicContact CG-CZ 4.31Å; V253-F286 HydrophobicContact CG2-CE1 4.23Å; V253-F286 HydrophobicContact CG2-CE2 4.32Å; V253-F286 HydrophobicContact CG2-CZ 3.9Å; F281-F286 WeakPolarHBondContact O-CB 3.14Å; F281-F286 PolarHBondContact O-N 3.48Å; I282-F286 WeakPolarHBondContact O-CB 3.43Å; F286-A290 PolarHBondContact O-N 3.26Å |
| 287 | I | 74.6 | Confident | 68.5 | Low | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -72.4 | -49.5 | -175.5 | -63.5 | 168.8 | 0 | 0 | 0 | 111.5 | L242 I282 F283 Y289 A290 F291 I317 | L242-I287 HydrophobicContact CD2-CD1 4.08Å; I282-I287 HydrophobicContact CG2-CD1 3.92Å; I282-I287 WeakPolarHBondContact O-CB 3.44Å; I282-I287 VanDerWaalsContact O-CG1 3.31Å; I282-I287 WeakPolarHBondContact O-CG1 3.37Å; I282-I287 PolarHBondContact O-N 3.33Å; F283-I287 HydrophobicContact CD1-CD1 4.43Å; I287-Y289 VanDerWaalsContact C-N 3.33Å; I287-Y289 PolarHBondContact O-N 2.97Å; I287-A290 WeakPolarHBondContact O-CB 3.24Å; I287-A290 PolarHBondContact O-N 2.81Å; I287-F291 HydrophobicContact CG2-CD2 4.06Å; I287-F291 HydrophobicContact CG2-CE2 4.02Å; I287-F291 WeakPolarHBondContact O-CD2 3.39Å; I287-F291 PolarHBondContact O-N 2.84Å; I287-F291 VanDerWaalsContact O-N 3.16Å; I287-I317 HydrophobicContact CG2-CD1 4.39Å; I287-I317 HydrophobicContact CG2-CG2 4.31Å |
| 288 | G | 71.5 | Confident | 67.5 | Low | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -60.2 | -39.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | F283 A290 F291 E292 | F283-G288 WeakPolarHBondContact O-CA 3.47Å; F283-G288 PolarHBondContact O-N 2.92Å; G288-A290 VanDerWaalsContact C-N 3.33Å; G288-A290 PolarHBondContact O-N 3.21Å; G288-F291 PolarHBondContact O-N 2.99Å; G288-E292 PolarHBondContact O-N 2.98Å |
| 289 | Y | 70.3 | Confident | 66.7 | Low | 20 Ų | 20 | 31.7 Ų | 31.7 | 8% | 0.078 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.6 | -33.3 | 174.2 | -170.7 | -114.8 | 0 | 0 | 0 | 112.8 | M172 H176 K284 D285 I287 E292 K293 L296 Y297 | M172-Y289 HydrophobicContact CE-CD1 3.81Å; M172-Y289 HydrophobicContact CE-CD2 4.5Å; M172-Y289 HydrophobicContact CE-CE1 4.23Å; M172-Y289 HydrophobicContact CE-CG 3.96Å; M172-Y289 HydrophobicContact SD-CD1 4.41Å; M172-Y289 HydrophobicContact SD-CD2 4.3Å; M172-Y289 HydrophobicContact SD-CE1 4.44Å; M172-Y289 HydrophobicContact SD-CE2 4.31Å; M172-Y289 HydrophobicContact SD-CG 4.36Å; H176-Y289 AromaticContact NE2-CE1 3.43Å; H176-Y289 WeakPolarHBondContact NE2-CE1 3.49Å; H176-Y289 AromaticContact NE2-CZ 4Å; K284-Y289 PolarHBondContact O-N 3.34Å; D285-Y289 WeakPolarHBondContact O-CB 3.31Å; I287-Y289 VanDerWaalsContact C-N 3.33Å; I287-Y289 PolarHBondContact O-N 2.97Å; Y289-E292 PolarHBondContact O-N 2.71Å; Y289-K293 HydrophobicContact CE2-CD 4.03Å; Y289-K293 PolarHBondContact O-N 3.45Å; Y289-K293 PolarHBondContact OH-NZ 3.23Å; Y289-L296 HydrophobicContact CE1-CD1 4.45Å; Y289-Y297 WeakPolarHBondContact CD1-OH 3.27Å |
| 290 | A | 67.2 | Low | 65.4 | Low | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.1 | -33.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L189 F286 I287 G288 Y297 | L189-A290 HydrophobicContact CD1-CB 4.05Å; L189-A290 HydrophobicContact CD2-CB 3.89Å; F286-A290 PolarHBondContact O-N 3.26Å; I287-A290 WeakPolarHBondContact O-CB 3.24Å; I287-A290 PolarHBondContact O-N 2.81Å; G288-A290 VanDerWaalsContact C-N 3.33Å; G288-A290 PolarHBondContact O-N 3.21Å; A290-Y297 WeakPolarHBondContact CA-OH 3.39Å; A290-Y297 HydrophobicContact CB-CE1 3.86Å; A290-Y297 HydrophobicContact CB-CE2 4.02Å |
| 291 | F | 68.5 | Low | 64.1 | Low | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.4 | -29.7 | 170.7 | -84.5 | -100 | 0 | 0 | 0 | 112.9 | V192 L193 V196 I287 G288 Y310 F313 I317 | V192-F291 HydrophobicContact CG1-CE2 4.38Å; L193-F291 HydrophobicContact CD2-CD1 3.67Å; L193-F291 HydrophobicContact CD2-CD2 3.96Å; L193-F291 HydrophobicContact CD2-CE1 3.43Å; L193-F291 VanDerWaalsContact CD2-CE1 3.43Å; L193-F291 HydrophobicContact CD2-CE2 3.74Å; L193-F291 HydrophobicContact CD2-CG 3.93Å; L193-F291 HydrophobicContact CD2-CZ 3.47Å; L193-F291 VanDerWaalsContact CD2-CZ 3.47Å; L193-F291 HydrophobicContact CG-CE2 4.19Å; L193-F291 HydrophobicContact CG-CZ 4.12Å; V196-F291 HydrophobicContact CB-CE1 4.45Å; V196-F291 HydrophobicContact CB-CZ 4.31Å; V196-F291 HydrophobicContact CG1-CE1 4.05Å; V196-F291 HydrophobicContact CG1-CZ 4.32Å; V196-F291 HydrophobicContact CG2-CZ 4.09Å; I287-F291 HydrophobicContact CG2-CD2 4.06Å; I287-F291 HydrophobicContact CG2-CE2 4.02Å; I287-F291 WeakPolarHBondContact O-CD2 3.39Å; I287-F291 PolarHBondContact O-N 2.84Å; I287-F291 VanDerWaalsContact O-N 3.16Å; G288-F291 PolarHBondContact O-N 2.99Å; F291-Y310 VanDerWaalsContact O-CD1 3.25Å; F291-Y310 WeakPolarHBondContact O-CD1 3.39Å; F291-F313 HydrophobicContact CD1-CB 4.07Å; F291-F313 AromaticContact CD1-CD1 3.82Å; F291-F313 HydrophobicContact CD1-CD1 3.82Å; F291-F313 HydrophobicContact CD1-CG 4.17Å; F291-F313 AromaticContact CE1-CD1 3.75Å; F291-F313 HydrophobicContact CE1-CD1 3.75Å; F291-F313 HydrophobicContact CE1-CE1 4.24Å; F291-F313 HydrophobicContact CE1-CG 4.49Å; F291-I317 HydrophobicContact CB-CD1 4.03Å; F291-I317 HydrophobicContact CD1-CD1 4.01Å; F291-I317 HydrophobicContact CD2-CD1 3.48Å; F291-I317 VanDerWaalsContact CD2-CD1 3.48Å; F291-I317 HydrophobicContact CE1-CD1 4.34Å; F291-I317 HydrophobicContact CE2-CD1 3.86Å; F291-I317 HydrophobicContact CG-CD1 3.56Å; F291-I317 HydrophobicContact CZ-CD1 4.28Å |
| 292 | E | 64.8 | Low | 62.5 | Low | 80 Ų | 80 | 43.7 Ų | 43.7 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71.5 | -33.3 | 179.3 | -173.3 | 169.8 | -143.5 | 0 | 0 | 113.4 | G288 Y289 K314 | G288-E292 PolarHBondContact O-N 2.98Å; Y289-E292 PolarHBondContact O-N 2.71Å; E292-K314 HydrophobicContact CB-CD 4.14Å; E292-K314 HydrophobicContact CG-CD 4.15Å; E292-K314 IonicContact OE1-NZ 2.71Å; E292-K314 PolarHBondContact OE1-NZ 3.16Å; E292-K314 IonicContact OE2-NZ 3.29Å; E292-K314 PolarHBondContact OE2-NZ 3.47Å |
| 293 | K | 64 | Low | 61.1 | Low | 90 Ų | 90 | 48 Ų | 48 | 39% | 0.391 | 27% | 0.266 | S | S | . | . | trans | -137.7 | 60.4 | -175.9 | -62.2 | -175.6 | -176.3 | 172.1 | 0 | 113.9 | Y289 A295 L296 Y297 | Y289-K293 HydrophobicContact CE2-CD 4.03Å; Y289-K293 PolarHBondContact O-N 3.45Å; Y289-K293 PolarHBondContact OH-NZ 3.23Å; K293-A295 PolarHBondContact O-N 3.42Å; K293-L296 HydrophobicContact CB-CD1 4.01Å; K293-L296 HydrophobicContact CB-CG 4.1Å; K293-L296 HydrophobicContact CD-CD1 3.46Å; K293-L296 VanDerWaalsContact CD-CD1 3.46Å; K293-L296 HydrophobicContact CD-CG 4.16Å; K293-L296 HydrophobicContact CG-CD1 4.44Å; K293-L296 PolarHBondContact O-N 3.27Å; K293-Y297 VanDerWaalsContact O-CD2 3.3Å; K293-Y297 WeakPolarHBondContact O-CD2 3.42Å | ||
| 294 | P | 62.6 | Low | 59.2 | Low | 16 Ų | 16 | 56.8 Ų | 56.8 | 10% | 0.104 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -56 | -25.6 | -177.3 | 22.6 | -34.6 | 0 | 0 | 0 | 114.4 | L296 Y297 I299 L301 Y310 | P294-L296 VanDerWaalsContact C-N 3.34Å; P294-L296 PolarHBondContact O-N 3.39Å; P294-Y297 PolarHBondContact O-N 3.48Å; P294-Y297 VanDerWaalsContact O-N 3.15Å; P294-I299 PolarHBondContact O-N 2.96Å; P294-L301 HydrophobicContact CB-CD1 3.95Å; P294-L301 HydrophobicContact CG-CD1 4.22Å; P294-Y310 HydrophobicContact CG-CD1 4.39Å; P294-Y310 HydrophobicContact CG-CE1 3.85Å |
| 295 | A | 54 | Low | 58.3 | Low | 90 Ų | 90 | 55.7 Ų | 55.7 | 74% | 0.744 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -61.1 | -34.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | K293 Y297 N298 | K293-A295 PolarHBondContact O-N 3.42Å; A295-Y297 PolarHBondContact O-N 3.35Å; A295-N298 PolarHBondContact O-N 2.81Å |
| 296 | L | 53.8 | Low | 57.6 | Low | 57 Ų | 57 | 56.8 Ų | 56.8 | 30% | 0.298 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -65.1 | -24.9 | 176.3 | -70.9 | -177.1 | 0 | 0 | 0 | 112.5 | Y289 K293 P294 N298 | Y289-L296 HydrophobicContact CE1-CD1 4.45Å; K293-L296 HydrophobicContact CB-CD1 4.01Å; K293-L296 HydrophobicContact CB-CG 4.1Å; K293-L296 HydrophobicContact CD-CD1 3.46Å; K293-L296 VanDerWaalsContact CD-CD1 3.46Å; K293-L296 HydrophobicContact CD-CG 4.16Å; K293-L296 HydrophobicContact CG-CD1 4.44Å; K293-L296 PolarHBondContact O-N 3.27Å; P294-L296 VanDerWaalsContact C-N 3.34Å; P294-L296 PolarHBondContact O-N 3.39Å; L296-N298 VanDerWaalsContact C-N 3.32Å |
| 297 | Y | 53.9 | Low | 56.9 | Low | 10 Ų | 10 | 62.3 Ų | 62.3 | 4% | 0.039 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -90.9 | 2.3 | -178.5 | -59.7 | -101.3 | 0 | 0 | 0 | 112 | I179 F186 L189 Y289 A290 K293 P294 A295 I299 | I179-Y297 HydrophobicContact CB-CE1 4.43Å; I179-Y297 HydrophobicContact CD1-CE1 3.48Å; I179-Y297 VanDerWaalsContact CD1-CE1 3.48Å; I179-Y297 WeakPolarHBondContact CD1-OH 3.23Å; I179-Y297 HydrophobicContact CG1-CE1 3.83Å; I179-Y297 HydrophobicContact CG2-CD1 3.76Å; I179-Y297 HydrophobicContact CG2-CE1 3.69Å; F186-Y297 WeakPolarHBondContact CD2-O 3.39Å; F186-Y297 WeakPolarHBondContact CE2-O 3.48Å; L189-Y297 HydrophobicContact CD1-CD1 3.71Å; L189-Y297 HydrophobicContact CD1-CE1 3.52Å; Y289-Y297 WeakPolarHBondContact CD1-OH 3.27Å; A290-Y297 WeakPolarHBondContact CA-OH 3.39Å; A290-Y297 HydrophobicContact CB-CE1 3.86Å; A290-Y297 HydrophobicContact CB-CE2 4.02Å; K293-Y297 VanDerWaalsContact O-CD2 3.3Å; K293-Y297 WeakPolarHBondContact O-CD2 3.42Å; P294-Y297 PolarHBondContact O-N 3.48Å; P294-Y297 VanDerWaalsContact O-N 3.15Å; A295-Y297 PolarHBondContact O-N 3.35Å; Y297-I299 PolarHBondContact O-N 3.18Å |
| 298 | N | 50.5 | Low | 55.9 | Low | 131 Ų | 131 | 65.9 Ų | 65.9 | 70% | 0.701 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 23 | -175.9 | -148.6 | 11.9 | 0 | 0 | 0 | 113.4 | A295 L296 N300 | A295-N298 PolarHBondContact O-N 2.81Å; L296-N298 VanDerWaalsContact C-N 3.32Å; N298-N300 PolarHBondContact O-N 2.87Å |
| 299 | I | 54.5 | Low | 55.5 | Low | 16 Ų | 16 | 66.2 Ų | 66.2 | 8% | 0.082 | 38% | 0.375 | C | S | . | . | trans | -85.8 | 94.7 | 179.3 | -59.8 | 175.7 | 0 | 0 | 0 | 108.5 | F186 L193 P294 Y297 L301 | F186-I299 HydrophobicContact CD2-CG1 4.45Å; F186-I299 HydrophobicContact CE2-CD1 4.4Å; F186-I299 HydrophobicContact CE2-CG1 3.73Å; L193-I299 HydrophobicContact CD1-CD1 3.42Å; L193-I299 VanDerWaalsContact CD1-CD1 3.42Å; P294-I299 PolarHBondContact O-N 2.96Å; Y297-I299 PolarHBondContact O-N 3.18Å; I299-L301 VanDerWaalsContact C-N 3.29Å; I299-L301 HydrophobicContact CG2-CD1 4.38Å; I299-L301 HydrophobicContact CG2-CG 4.19Å; I299-L301 PolarHBondContact O-N 3.39Å | ||
| 300 | N | 47.2 | Very low | 55.3 | Low | 151 Ų | 151 | 66.9 Ų | 66.9 | 81% | 0.807 | 38% | 0.377 | S | S | * | . | trans | -69.2 | 81.7 | 174.9 | -83.1 | -36 | 0 | 0 | 0 | 111.5 | N298 S302 | N298-N300 PolarHBondContact O-N 2.87Å; N300-S302 PolarHBondContact O-N 2.97Å | ||
| 301 | L | 48.8 | Very low | 55.2 | Low | 39 Ų | 39 | 69.5 Ų | 69.5 | 20% | 0.204 | 40% | 0.399 | C | S | . | . | trans | -68.9 | 108.8 | 166.3 | -81.8 | 154.6 | 0 | 0 | 0 | 109.3 | F197 P294 I299 L303 Y310 | F197-L301 HydrophobicContact CD2-CD1 4.28Å; F197-L301 HydrophobicContact CD2-CD2 3.37Å; F197-L301 HydrophobicContact CD2-CG 4.47Å; F197-L301 HydrophobicContact CE2-CD1 3.56Å; F197-L301 HydrophobicContact CE2-CD2 3.54Å; F197-L301 HydrophobicContact CE2-CG 4.21Å; F197-L301 HydrophobicContact CG-CD2 4.04Å; F197-L301 HydrophobicContact CZ-CD1 4.06Å; F197-L301 HydrophobicContact CZ-CD2 4.31Å; P294-L301 HydrophobicContact CB-CD1 3.95Å; P294-L301 HydrophobicContact CG-CD1 4.22Å; I299-L301 VanDerWaalsContact C-N 3.29Å; I299-L301 HydrophobicContact CG2-CD1 4.38Å; I299-L301 HydrophobicContact CG2-CG 4.19Å; I299-L301 PolarHBondContact O-N 3.39Å; L301-L303 PolarHBondContact O-N 2.79Å; L301-Y310 HydrophobicContact CD1-CE1 4.43Å | ||
| 302 | S | 38.8 | Very low | 55 | Low | 120 Ų | 120 | 70.8 Ų | 70.8 | 84% | 0.839 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -73.8 | 0.7 | -174.9 | 51.4 | 0 | 0 | 0 | 0 | 114.8 | N300 | N300-S302 PolarHBondContact O-N 2.97Š|
| 303 | L | 46.5 | Very low | 55.3 | Low | 98 Ų | 98 | 67 Ų | 67 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -107.1 | 121.8 | 167.3 | -94.7 | 69.3 | 0 | 0 | 0 | 109.9 | I201 L301 L305 | I201-L303 HydrophobicContact CD1-CD2 4.49Å; L301-L303 PolarHBondContact O-N 2.79Å; L303-L305 VanDerWaalsContact C-N 3.3Å; L303-L305 PolarHBondContact O-N 3.42Å |
| 304 | M | 37 | Very low | 55.6 | Low | 187 Ų | 187 | 64.7 Ų | 64.7 | 92% | 0.921 | 38% | 0.378 | S | S | * | . | trans | -71.4 | 83.9 | 168.7 | -71.1 | -78.1 | 99.6 | 0 | 0 | 110.2 | ||||
| 305 | L | 53.2 | Low | 55.8 | Low | 39 Ų | 39 | 70 Ų | 70 | 20% | 0.204 | 40% | 0.401 | C | S | . | . | trans | -78.5 | 146.8 | 168 | -68.9 | 162 | 0 | 0 | 0 | 110.1 | F197 L303 F309 Y310 | F197-L305 HydrophobicContact CD1-CD1 3.94Å; F197-L305 HydrophobicContact CE1-CD1 3.43Å; F197-L305 VanDerWaalsContact CE1-CD1 3.43Å; F197-L305 HydrophobicContact CZ-CD1 4.25Å; L303-L305 VanDerWaalsContact C-N 3.3Å; L303-L305 PolarHBondContact O-N 3.42Å; L305-F309 HydrophobicContact CB-CB 4.43Å; L305-F309 HydrophobicContact CB-CD1 4.08Å; L305-F309 HydrophobicContact CB-CG 4.42Å; L305-F309 HydrophobicContact CD1-CD1 3.89Å; L305-F309 HydrophobicContact CD1-CE1 3.79Å; L305-F309 HydrophobicContact CD2-CD1 4Å; L305-F309 HydrophobicContact CD2-CD2 4.49Å; L305-F309 HydrophobicContact CD2-CE1 4.03Å; L305-F309 HydrophobicContact CD2-CG 4.23Å; L305-F309 HydrophobicContact CD2-CZ 4.29Å; L305-F309 HydrophobicContact CG-CD1 4.21Å; L305-F309 HydrophobicContact CG-CE1 4.41Å; L305-Y310 HydrophobicContact CB-CE2 3.76Å | ||
| 306 | S | 55.1 | Low | 56.6 | Low | 41 Ų | 41 | 65.7 Ų | 65.7 | 29% | 0.287 | 37% | 0.366 | S | S | . | . | trans | -69.1 | 153.1 | -176.4 | 57.9 | 0 | 0 | 0 | 0 | 112.4 | T308 F309 Y310 | S306-T308 PolarHBondContact O-N 3.49Å; S306-T308 PolarHBondContact OG-OG1 3.15Å; S306-T308 VanDerWaalsContact OG-OG1 3.05Å; S306-F309 VanDerWaalsContact O-CB 3.3Å; S306-F309 WeakPolarHBondContact O-CB 3.47Å; S306-F309 PolarHBondContact O-N 2.87Å; S306-F309 PolarHBondContact OG-N 3.22Å; S306-Y310 WeakPolarHBondContact O-CD2 3.23Å; S306-Y310 PolarHBondContact O-N 2.95Å | ||
| 307 | P | 57.3 | Low | 57.4 | Low | 117 Ų | 117 | 63 Ų | 63 | 76% | 0.76 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -57.4 | -31.8 | 175.3 | -26.1 | 35.5 | 0 | 0 | 0 | 113.5 | F309 Y310 A311 | P307-F309 VanDerWaalsContact C-N 3.34Å; P307-Y310 PolarHBondContact O-N 2.94Å; P307-A311 PolarHBondContact O-N 3.38Å; P307-A311 VanDerWaalsContact O-N 3.13Å |
| 308 | T | 55.2 | Low | 58.2 | Low | 78 Ų | 78 | 65.4 Ų | 65.4 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.6 | -37.1 | 172.9 | 32.3 | 0 | 0 | 0 | 0 | 112.6 | S306 A311 I312 | S306-T308 PolarHBondContact O-N 3.49Å; S306-T308 PolarHBondContact OG-OG1 3.15Å; S306-T308 VanDerWaalsContact OG-OG1 3.05Å; T308-A311 PolarHBondContact O-N 2.72Å; T308-I312 WeakPolarHBondContact O-CG1 3.4Å; T308-I312 PolarHBondContact O-N 2.73Å; T308-I312 VanDerWaalsContact O-N 3.09Å |
| 309 | F | 62.2 | Low | 59.1 | Low | 7 Ų | 7 | 61 Ų | 61 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 177.1 | -167.6 | -92.9 | 0 | 0 | 0 | 112.2 | F197 F200 L212 L305 S306 P307 I312 F313 | F197-F309 HydrophobicContact CE1-CE1 4.21Å; F200-F309 HydrophobicContact CD1-CZ 4.14Å; F200-F309 HydrophobicContact CE1-CE2 4.02Å; F200-F309 AromaticContact CE1-CZ 3.61Å; F200-F309 HydrophobicContact CE1-CZ 3.61Å; F200-F309 HydrophobicContact CE2-CE2 4.4Å; F200-F309 HydrophobicContact CE2-CZ 4.07Å; F200-F309 AromaticContact CZ-CE2 3.71Å; F200-F309 HydrophobicContact CZ-CE2 3.71Å; F200-F309 AromaticContact CZ-CZ 3.57Å; F200-F309 HydrophobicContact CZ-CZ 3.57Å; L212-F309 HydrophobicContact CD1-CE2 4.45Å; L305-F309 HydrophobicContact CB-CB 4.43Å; L305-F309 HydrophobicContact CB-CD1 4.08Å; L305-F309 HydrophobicContact CB-CG 4.42Å; L305-F309 HydrophobicContact CD1-CD1 3.89Å; L305-F309 HydrophobicContact CD1-CE1 3.79Å; L305-F309 HydrophobicContact CD2-CD1 4Å; L305-F309 HydrophobicContact CD2-CD2 4.49Å; L305-F309 HydrophobicContact CD2-CE1 4.03Å; L305-F309 HydrophobicContact CD2-CG 4.23Å; L305-F309 HydrophobicContact CD2-CZ 4.29Å; L305-F309 HydrophobicContact CG-CD1 4.21Å; L305-F309 HydrophobicContact CG-CE1 4.41Å; S306-F309 VanDerWaalsContact O-CB 3.3Å; S306-F309 WeakPolarHBondContact O-CB 3.47Å; S306-F309 PolarHBondContact O-N 2.87Å; S306-F309 PolarHBondContact OG-N 3.22Å; P307-F309 VanDerWaalsContact C-N 3.34Å; F309-I312 PolarHBondContact O-N 3.03Å; F309-F313 AromaticContact CD1-CD2 3.95Å; F309-F313 HydrophobicContact CD1-CD2 3.95Å; F309-F313 HydrophobicContact CD1-CE2 4.13Å; F309-F313 AromaticContact CE1-CD2 3.62Å; F309-F313 HydrophobicContact CE1-CD2 3.62Å; F309-F313 AromaticContact CE1-CE2 3.34Å; F309-F313 HydrophobicContact CE1-CE2 3.34Å; F309-F313 HydrophobicContact CE1-CZ 4.45Å; F309-F313 HydrophobicContact CE2-CE2 4.48Å; F309-F313 HydrophobicContact CZ-CD2 4.18Å; F309-F313 AromaticContact CZ-CE2 3.56Å; F309-F313 HydrophobicContact CZ-CE2 3.56Å; F309-F313 PolarHBondContact O-N 2.78Å; F309-F313 VanDerWaalsContact O-N 3.11Å |
| 310 | Y | 67.3 | Low | 60 | Low | 33 Ų | 33 | 60.2 Ų | 60.2 | 13% | 0.129 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.8 | -34.8 | 175.4 | -68.5 | -75.7 | 0 | 0 | 0 | 112.6 | F197 F291 P294 L301 L305 S306 P307 F313 K314 | F197-Y310 HydrophobicContact CZ-CE1 4.01Å; F291-Y310 VanDerWaalsContact O-CD1 3.25Å; F291-Y310 WeakPolarHBondContact O-CD1 3.39Å; P294-Y310 HydrophobicContact CG-CD1 4.39Å; P294-Y310 HydrophobicContact CG-CE1 3.85Å; L301-Y310 HydrophobicContact CD1-CE1 4.43Å; L305-Y310 HydrophobicContact CB-CE2 3.76Å; S306-Y310 WeakPolarHBondContact O-CD2 3.23Å; S306-Y310 PolarHBondContact O-N 2.95Å; P307-Y310 PolarHBondContact O-N 2.94Å; Y310-F313 PolarHBondContact O-N 3.24Å; Y310-K314 PolarHBondContact O-N 3.1Å |
| 311 | A | 64 | Low | 61 | Low | 55 Ų | 55 | 53.3 Ų | 53.3 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P307 T308 K314 E315 | P307-A311 PolarHBondContact O-N 3.38Å; P307-A311 VanDerWaalsContact O-N 3.13Å; T308-A311 PolarHBondContact O-N 2.72Å; A311-K314 PolarHBondContact O-N 3.42Å; A311-E315 PolarHBondContact O-N 3.32Å |
| 312 | I | 64.6 | Low | 61.9 | Low | 31 Ų | 31 | 53.6 Ų | 53.6 | 16% | 0.159 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.8 | -37.4 | 176.1 | -66.7 | 163.5 | 0 | 0 | 0 | 111.4 | L212 M231 L234 T308 F309 E315 T316 | L212-I312 HydrophobicContact CB-CD1 4.05Å; L212-I312 HydrophobicContact CD2-CD1 4.46Å; L212-I312 HydrophobicContact CD2-CG2 4.44Å; M231-I312 HydrophobicContact SD-CG2 4.37Å; L234-I312 HydrophobicContact CD2-CG2 4.46Å; T308-I312 WeakPolarHBondContact O-CG1 3.4Å; T308-I312 PolarHBondContact O-N 2.73Å; T308-I312 VanDerWaalsContact O-N 3.09Å; F309-I312 PolarHBondContact O-N 3.03Å; I312-E315 PolarHBondContact O-N 2.98Å; I312-T316 PolarHBondContact O-N 3.16Å; I312-T316 PolarHBondContact O-OG1 3.16Å |
| 313 | F | 70 | Confident | 63.3 | Low | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 171.7 | -98.9 | -85.9 | 0 | 0 | 0 | 112.5 | V196 F200 L234 I238 F291 F309 Y310 T316 I317 | V196-F313 HydrophobicContact CG1-CD1 4.36Å; V196-F313 HydrophobicContact CG1-CE1 3.43Å; V196-F313 VanDerWaalsContact CG1-CE1 3.43Å; V196-F313 HydrophobicContact CG1-CZ 3.91Å; F200-F313 HydrophobicContact CD2-CZ 4.4Å; L234-F313 HydrophobicContact CD1-CE1 4.5Å; L234-F313 HydrophobicContact CD1-CE2 3.9Å; L234-F313 HydrophobicContact CD1-CZ 3.68Å; L234-F313 HydrophobicContact CD2-CD1 4.33Å; L234-F313 HydrophobicContact CD2-CD2 4.14Å; L234-F313 HydrophobicContact CD2-CE1 4.08Å; L234-F313 HydrophobicContact CD2-CE2 3.88Å; L234-F313 HydrophobicContact CD2-CG 4.36Å; L234-F313 HydrophobicContact CD2-CZ 3.86Å; L234-F313 HydrophobicContact CG-CE1 4.15Å; L234-F313 HydrophobicContact CG-CE2 4.22Å; L234-F313 HydrophobicContact CG-CZ 3.82Å; I238-F313 HydrophobicContact CD1-CD1 3.91Å; I238-F313 HydrophobicContact CD1-CE1 3.8Å; I238-F313 HydrophobicContact CG1-CD1 4.33Å; I238-F313 HydrophobicContact CG1-CE1 3.89Å; F291-F313 HydrophobicContact CD1-CB 4.07Å; F291-F313 AromaticContact CD1-CD1 3.82Å; F291-F313 HydrophobicContact CD1-CD1 3.82Å; F291-F313 HydrophobicContact CD1-CG 4.17Å; F291-F313 AromaticContact CE1-CD1 3.75Å; F291-F313 HydrophobicContact CE1-CD1 3.75Å; F291-F313 HydrophobicContact CE1-CE1 4.24Å; F291-F313 HydrophobicContact CE1-CG 4.49Å; F309-F313 AromaticContact CD1-CD2 3.95Å; F309-F313 HydrophobicContact CD1-CD2 3.95Å; F309-F313 HydrophobicContact CD1-CE2 4.13Å; F309-F313 AromaticContact CE1-CD2 3.62Å; F309-F313 HydrophobicContact CE1-CD2 3.62Å; F309-F313 AromaticContact CE1-CE2 3.34Å; F309-F313 HydrophobicContact CE1-CE2 3.34Å; F309-F313 HydrophobicContact CE1-CZ 4.45Å; F309-F313 HydrophobicContact CE2-CE2 4.48Å; F309-F313 HydrophobicContact CZ-CD2 4.18Å; F309-F313 AromaticContact CZ-CE2 3.56Å; F309-F313 HydrophobicContact CZ-CE2 3.56Å; F309-F313 PolarHBondContact O-N 2.78Å; F309-F313 VanDerWaalsContact O-N 3.11Å; Y310-F313 PolarHBondContact O-N 3.24Å; F313-T316 WeakPolarHBondContact CA-OG1 3.33Å; F313-T316 PolarHBondContact O-OG1 3.43Å; F313-I317 WeakPolarHBondContact O-CB 3.4Å; F313-I317 WeakPolarHBondContact O-CD1 3.15Å; F313-I317 WeakPolarHBondContact O-CG1 3.21Å; F313-I317 PolarHBondContact O-N 3.09Å |
| 314 | K | 71 | Confident | 64.4 | Low | 42 Ų | 42 | 44.8 Ų | 44.8 | 18% | 0.183 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 172.3 | 173.7 | 172.2 | 170.2 | 175 | 0 | 112.1 | E292 Y310 A311 T316 I317 E318 | E292-K314 HydrophobicContact CB-CD 4.14Å; E292-K314 HydrophobicContact CG-CD 4.15Å; E292-K314 IonicContact OE1-NZ 2.71Å; E292-K314 PolarHBondContact OE1-NZ 3.16Å; E292-K314 IonicContact OE2-NZ 3.29Å; E292-K314 PolarHBondContact OE2-NZ 3.47Å; Y310-K314 PolarHBondContact O-N 3.1Å; A311-K314 PolarHBondContact O-N 3.42Å; K314-T316 VanDerWaalsContact C-N 3.33Å; K314-T316 PolarHBondContact O-N 3.45Å; K314-I317 PolarHBondContact O-N 3.42Å; K314-E318 WeakPolarHBondContact CE-OE1 3.44Å; K314-E318 HydrophobicContact CG-CG 4.42Å; K314-E318 PolarHBondContact O-N 3.14Å |
| 315 | E | 67.7 | Low | 65.7 | Low | 126 Ų | 126 | 37.5 Ų | 37.5 | 59% | 0.589 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -62.2 | -39.4 | -178.5 | -169.7 | 167.7 | -156.2 | 0 | 0 | 111.9 | A311 I312 E318 V319 | A311-E315 PolarHBondContact O-N 3.32Å; I312-E315 PolarHBondContact O-N 2.98Å; E315-E318 PolarHBondContact O-N 3.47Å; E315-V319 WeakPolarHBondContact O-CG2 3.32Å; E315-V319 PolarHBondContact O-N 3.37Å |
| 316 | T | 69.4 | Low | 66 | Low | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.8 | -39.3 | 172.6 | 45.5 | 0 | 0 | 0 | 0 | 113.3 | M231 L234 L235 I312 F313 K314 V319 I320 | M231-T316 HydrophobicContact CE-CG2 3.43Å; M231-T316 VanDerWaalsContact CE-CG2 3.43Å; M231-T316 HydrophobicContact SD-CG2 3.54Å; M231-T316 VanDerWaalsContact SD-CG2 3.54Å; L234-T316 HydrophobicContact CD2-CG2 3.89Å; L235-T316 WeakPolarHBondContact CD2-O 3.28Å; I312-T316 PolarHBondContact O-N 3.16Å; I312-T316 PolarHBondContact O-OG1 3.16Å; F313-T316 WeakPolarHBondContact CA-OG1 3.33Å; F313-T316 PolarHBondContact O-OG1 3.43Å; K314-T316 VanDerWaalsContact C-N 3.33Å; K314-T316 PolarHBondContact O-N 3.45Å; T316-V319 PolarHBondContact O-N 3.18Å; T316-I320 PolarHBondContact O-N 3.24Å |
| 317 | I | 71.7 | Confident | 66.2 | Low | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.7 | -36.8 | 175.5 | -68.1 | 165.5 | 0 | 0 | 0 | 111.6 | I238 F283 I287 F291 F313 K314 V319 I320 | I238-I317 HydrophobicContact CD1-CG1 4.13Å; I238-I317 HydrophobicContact CG2-CG1 4.27Å; F283-I317 WeakPolarHBondContact O-CG2 3.18Å; I287-I317 HydrophobicContact CG2-CD1 4.39Å; I287-I317 HydrophobicContact CG2-CG2 4.31Å; F291-I317 HydrophobicContact CB-CD1 4.03Å; F291-I317 HydrophobicContact CD1-CD1 4.01Å; F291-I317 HydrophobicContact CD2-CD1 3.48Å; F291-I317 VanDerWaalsContact CD2-CD1 3.48Å; F291-I317 HydrophobicContact CE1-CD1 4.34Å; F291-I317 HydrophobicContact CE2-CD1 3.86Å; F291-I317 HydrophobicContact CG-CD1 3.56Å; F291-I317 HydrophobicContact CZ-CD1 4.28Å; F313-I317 WeakPolarHBondContact O-CB 3.4Å; F313-I317 WeakPolarHBondContact O-CD1 3.15Å; F313-I317 WeakPolarHBondContact O-CG1 3.21Å; F313-I317 PolarHBondContact O-N 3.09Å; K314-I317 PolarHBondContact O-N 3.42Å; I317-V319 VanDerWaalsContact C-N 3.32Å; I317-V319 PolarHBondContact O-N 3.48Å; I317-I320 WeakPolarHBondContact O-CB 3.22Å; I317-I320 PolarHBondContact O-N 3.46Å |
| 318 | E | 69.4 | Low | 65.7 | Low | 60 Ų | 60 | 42.7 Ų | 42.7 | 28% | 0.28 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.7 | -37.9 | 174.3 | -72 | -161.6 | -149.4 | 0 | 0 | 111.5 | K284 K314 E315 I320 S321 | K284-E318 HydrophobicContact CB-CG 4.41Å; K284-E318 HydrophobicContact CD-CG 4.46Å; K284-E318 VanDerWaalsContact CE-OE2 3.22Å; K284-E318 WeakPolarHBondContact CE-OE2 3.17Å; K284-E318 HydrophobicContact CG-CG 3.97Å; K284-E318 IonicContact NZ-OE2 2.76Å; K314-E318 WeakPolarHBondContact CE-OE1 3.44Å; K314-E318 HydrophobicContact CG-CG 4.42Å; K314-E318 PolarHBondContact O-N 3.14Å; E315-E318 PolarHBondContact O-N 3.47Å; E318-I320 VanDerWaalsContact C-N 3.3Å; E318-I320 PolarHBondContact O-N 3.22Å; E318-S321 VanDerWaalsContact O-CB 3.24Å; E318-S321 WeakPolarHBondContact O-CB 3.49Å; E318-S321 PolarHBondContact O-N 3.19Å; E318-S321 VanDerWaalsContact O-N 3.11Å; E318-S321 PolarHBondContact O-OG 3.37Å |
| 319 | V | 71.3 | Confident | 65.2 | Low | 37 Ų | 37 | 45.8 Ų | 45.8 | 22% | 0.224 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.7 | -31.8 | 174.3 | 168 | 0 | 0 | 0 | 0 | 113.2 | E315 T316 I317 S321 S322 I323 Y330 | E315-V319 WeakPolarHBondContact O-CG2 3.32Å; E315-V319 PolarHBondContact O-N 3.37Å; T316-V319 PolarHBondContact O-N 3.18Å; I317-V319 VanDerWaalsContact C-N 3.32Å; I317-V319 PolarHBondContact O-N 3.48Å; V319-S321 PolarHBondContact O-N 3.44Å; V319-S322 PolarHBondContact O-N 3.09Å; V319-S322 VanDerWaalsContact O-N 3.11Å; V319-I323 HydrophobicContact CG1-CD1 3.91Å; V319-I323 HydrophobicContact CG1-CG1 4.32Å; V319-I323 PolarHBondContact O-N 3.4Å; V319-I323 VanDerWaalsContact O-N 3.17Å; V319-Y330 HydrophobicContact CG1-CE1 4.14Å |
| 320 | I | 72.2 | Confident | 64.5 | Low | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.3 | -35.8 | 174.6 | -64.4 | 175.2 | 0 | 0 | 0 | 111.1 | L235 I238 F283 T316 I317 E318 S322 I323 V324 L357 | L235-I320 HydrophobicContact CD2-CD1 4.13Å; L235-I320 HydrophobicContact CD2-CG1 3.58Å; I238-I320 HydrophobicContact CB-CD1 4.36Å; I238-I320 HydrophobicContact CG2-CD1 3.64Å; F283-I320 HydrophobicContact CD1-CB 4.28Å; F283-I320 HydrophobicContact CD1-CG2 3.73Å; F283-I320 HydrophobicContact CE1-CG2 3.55Å; F283-I320 HydrophobicContact CG-CG2 4.29Å; F283-I320 HydrophobicContact CZ-CG2 3.99Å; T316-I320 PolarHBondContact O-N 3.24Å; I317-I320 WeakPolarHBondContact O-CB 3.22Å; I317-I320 PolarHBondContact O-N 3.46Å; E318-I320 VanDerWaalsContact C-N 3.3Å; E318-I320 PolarHBondContact O-N 3.22Å; I320-S322 VanDerWaalsContact C-N 3.31Å; I320-S322 PolarHBondContact O-N 2.79Å; I320-I323 PolarHBondContact O-N 2.85Å; I320-V324 HydrophobicContact CG2-CG2 4.4Å; I320-V324 WeakPolarHBondContact O-CG2 3.44Å; I320-V324 PolarHBondContact O-N 3.46Å; I320-V324 VanDerWaalsContact O-N 3.11Å; I320-L357 HydrophobicContact CG2-CD1 3.52Å; I320-L357 HydrophobicContact CG2-CD2 3.84Å; I320-L357 HydrophobicContact CG2-CG 4.31Å |
| 321 | S | 68.4 | Low | 63.1 | Low | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 178.1 | -48.6 | 0 | 0 | 0 | 0 | 112.1 | F283 E318 V319 I325 | F283-S321 WeakPolarHBondContact CB-OG 3.46Å; E318-S321 VanDerWaalsContact O-CB 3.24Å; E318-S321 WeakPolarHBondContact O-CB 3.49Å; E318-S321 PolarHBondContact O-N 3.19Å; E318-S321 VanDerWaalsContact O-N 3.11Å; E318-S321 PolarHBondContact O-OG 3.37Å; V319-S321 PolarHBondContact O-N 3.44Å; S321-I325 VanDerWaalsContact O-CD1 3.3Å; S321-I325 WeakPolarHBondContact O-CD1 3.21Å; S321-I325 VanDerWaalsContact O-CG1 3.3Å; S321-I325 WeakPolarHBondContact O-CG1 3.5Å |
| 322 | S | 68 | Low | 62.2 | Low | 46 Ų | 46 | 53.3 Ų | 53.3 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.1 | -43.1 | 177.7 | -57 | 0 | 0 | 0 | 0 | 111.8 | V319 I320 V324 I325 E326 | V319-S322 PolarHBondContact O-N 3.09Å; V319-S322 VanDerWaalsContact O-N 3.11Å; I320-S322 VanDerWaalsContact C-N 3.31Å; I320-S322 PolarHBondContact O-N 2.79Å; S322-V324 VanDerWaalsContact C-N 3.31Å; S322-V324 PolarHBondContact O-N 3.41Å; S322-I325 PolarHBondContact O-N 3.14Å; S322-E326 PolarHBondContact O-N 3.41Å |
| 323 | I | 68.8 | Low | 60.7 | Low | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.2 | -44 | 178.9 | -66.5 | 169 | 0 | 0 | 0 | 110.9 | L235 V319 I320 I325 G327 Y330 I352 Y354 L357 | L235-I323 HydrophobicContact CD1-CD1 4.45Å; V319-I323 HydrophobicContact CG1-CD1 3.91Å; V319-I323 HydrophobicContact CG1-CG1 4.32Å; V319-I323 PolarHBondContact O-N 3.4Å; V319-I323 VanDerWaalsContact O-N 3.17Å; I320-I323 PolarHBondContact O-N 2.85Å; I323-I325 PolarHBondContact O-N 3.48Å; I323-G327 PolarHBondContact O-N 2.98Å; I323-G327 VanDerWaalsContact O-N 3.08Å; I323-Y330 HydrophobicContact CD1-CD1 4.44Å; I323-Y330 HydrophobicContact CG1-CD1 3.92Å; I323-Y330 HydrophobicContact CG1-CE1 4.25Å; I323-Y330 HydrophobicContact CG1-CG 4.13Å; I323-I352 HydrophobicContact CD1-CD1 4.14Å; I323-Y354 HydrophobicContact CG2-CD2 3.95Å; I323-Y354 HydrophobicContact CG2-CE2 4.3Å; I323-L357 HydrophobicContact CB-CD2 4.4Å; I323-L357 HydrophobicContact CG2-CD2 3.84Å |
| 324 | V | 67.7 | Low | 58.9 | Low | 28 Ų | 28 | 60.6 Ų | 60.6 | 17% | 0.17 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.6 | -25.8 | 177.1 | 174 | 0 | 0 | 0 | 0 | 113.1 | V279 F283 I320 S322 L357 A361 | V279-V324 HydrophobicContact CG1-CB 4.03Å; V279-V324 HydrophobicContact CG1-CG1 3.95Å; V279-V324 HydrophobicContact CG2-CG1 3.81Å; F283-V324 HydrophobicContact CE2-CG2 4.46Å; I320-V324 HydrophobicContact CG2-CG2 4.4Å; I320-V324 WeakPolarHBondContact O-CG2 3.44Å; I320-V324 PolarHBondContact O-N 3.46Å; I320-V324 VanDerWaalsContact O-N 3.11Å; S322-V324 VanDerWaalsContact C-N 3.31Å; S322-V324 PolarHBondContact O-N 3.41Å; V324-L357 HydrophobicContact CG2-CD1 3.85Å; V324-L357 HydrophobicContact CG2-CD2 3.86Å; V324-L357 HydrophobicContact CG2-CG 3.69Å; V324-A361 HydrophobicContact CG1-CB 4.18Å |
| 325 | I | 65.2 | Low | 56.6 | Low | 35 Ų | 35 | 62.2 Ų | 62.2 | 18% | 0.179 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -94.7 | -26.9 | -174.7 | -66.2 | 168.6 | 0 | 0 | 0 | 112.7 | R276 V279 S321 S322 I323 | R276-I325 HydrophobicContact CB-CD1 4.07Å; R276-I325 HydrophobicContact CG-CD1 3.79Å; V279-I325 HydrophobicContact CG1-CD1 4.5Å; S321-I325 VanDerWaalsContact O-CD1 3.3Å; S321-I325 WeakPolarHBondContact O-CD1 3.21Å; S321-I325 VanDerWaalsContact O-CG1 3.3Å; S321-I325 WeakPolarHBondContact O-CG1 3.5Å; S322-I325 PolarHBondContact O-N 3.14Å; I323-I325 PolarHBondContact O-N 3.48Å |
| 326 | E | 60.4 | Low | 54.7 | Low | 113 Ų | 113 | 63 Ų | 63 | 53% | 0.528 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -109.5 | -19.5 | -171.7 | -61.7 | -171.9 | 159.9 | 0 | 0 | 114.4 | S322 | S322-E326 PolarHBondContact O-N 3.41Å |
| 327 | G | 59.4 | Low | 52.6 | Low | 13 Ų | 13 | 68.1 Ų | 68.1 | 13% | 0.134 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | 77 | -155.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I323 N329 Y330 | I323-G327 PolarHBondContact O-N 2.98Å; I323-G327 VanDerWaalsContact O-N 3.08Å; G327-N329 PolarHBondContact O-N 3.44Å; G327-Y330 PolarHBondContact O-N 2.82Å |
| 328 | E | 45.8 | Very low | 50.4 | Low | 180 Ų | 180 | 74.1 Ų | 74.1 | 84% | 0.841 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -58.2 | -12.6 | -177.7 | -63.3 | -170.8 | 113.7 | 0 | 0 | 114.9 | Y330 | E328-Y330 PolarHBondContact O-N 3.45Š|
| 329 | N | 45.2 | Very low | 48.4 | Very low | 143 Ų | 143 | 78.7 Ų | 78.7 | 77% | 0.765 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -76.4 | -3.5 | -178 | -62 | -61.9 | 0 | 0 | 0 | 114.4 | G327 S331 | G327-N329 PolarHBondContact O-N 3.44Å; N329-S331 PolarHBondContact O-N 2.99Å |
| 330 | Y | 46.5 | Very low | 46.3 | Very low | 83 Ų | 83 | 85 Ų | 85 | 33% | 0.325 | 49% | 0.491 | S | S | . | . | trans | -76.1 | 82.3 | -175.8 | -162.3 | -95.9 | 0 | 0 | 0 | 112.5 | V319 I323 G327 E328 L332 | V319-Y330 HydrophobicContact CG1-CE1 4.14Å; I323-Y330 HydrophobicContact CD1-CD1 4.44Å; I323-Y330 HydrophobicContact CG1-CD1 3.92Å; I323-Y330 HydrophobicContact CG1-CE1 4.25Å; I323-Y330 HydrophobicContact CG1-CG 4.13Å; G327-Y330 PolarHBondContact O-N 2.82Å; E328-Y330 PolarHBondContact O-N 3.45Å; Y330-L332 HydrophobicContact CD1-CD1 4.49Å; Y330-L332 HydrophobicContact CE1-CD1 4.24Å; Y330-L332 HydrophobicContact CE1-CG 4.18Å; Y330-L332 PolarHBondContact O-N 3.16Å; Y330-L332 VanDerWaalsContact O-N 3.13Å | ||
| 331 | S | 39.3 | Very low | 44 | Very low | 98 Ų | 98 | 88.7 Ų | 88.7 | 69% | 0.685 | 53% | 0.528 | S | S | * | . | trans | -73.3 | 99.6 | -178.2 | 61.6 | 0 | 0 | 0 | 0 | 112.6 | N329 T333 | N329-S331 PolarHBondContact O-N 2.99Å; S331-T333 PolarHBondContact O-N 2.86Å | ||
| 332 | L | 44.7 | Very low | 41.9 | Very low | 71 Ų | 71 | 94.1 Ų | 94.1 | 37% | 0.372 | 57% | 0.566 | S | S | . | * | trans | -81.7 | 47.9 | -176.4 | -137 | 164.2 | 0 | 0 | 0 | 112.8 | V232 L235 Y330 I352 | V232-L332 HydrophobicContact CG2-CD1 4.1Å; L235-L332 HydrophobicContact CD1-CD1 4.15Å; Y330-L332 HydrophobicContact CD1-CD1 4.49Å; Y330-L332 HydrophobicContact CE1-CD1 4.24Å; Y330-L332 HydrophobicContact CE1-CG 4.18Å; Y330-L332 PolarHBondContact O-N 3.16Å; Y330-L332 VanDerWaalsContact O-N 3.13Å; L332-I352 HydrophobicContact CD1-CD1 4Å | ||
| 333 | T | 31.9 | Very low | 40 | Very low | 117 Ų | 117 | 96.8 Ų | 96.8 | 72% | 0.718 | 59% | 0.591 | S | S | * | * | trans | -138.3 | 132.3 | -170.1 | 37.6 | 0 | 0 | 0 | 0 | 116.2 | S331 | S331-T333 PolarHBondContact O-N 2.86Š| ||
| 334 | A | 32.1 | Very low | 38.1 | Very low | 69 Ų | 69 | 103.8 Ų | 103.8 | 57% | 0.57 | 63% | 0.627 | S | S | * | * | trans | 61.9 | 84.3 | 150 | 0 | 0 | 0 | 0 | 0 | 119.6 | T337 | A334-T337 HydrophobicContact CB-CG2 4.03Š| ||
| 335 | G | 24.5 | Very low | 36.3 | Very low | 76 Ų | 76 | 109.7 Ų | 109.7 | 78% | 0.784 | 66% | 0.656 | S | S | * | * | S | Bend | -66.2 | 143.3 | 119.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||
| 336 | V | 25.9 | Very low | 34.5 | Very low | 143 Ų | 143 | 115.6 Ų | 115.6 | 87% | 0.867 | 68% | 0.682 | S | S | * | * | trans | 70.7 | 89.1 | -171.4 | -167.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 337 | T | 25.6 | Very low | 33.1 | Very low | 107 Ų | 107 | 116.3 Ų | 116.3 | 66% | 0.656 | 69% | 0.69 | S | S | * | * | trans | -118.1 | 122.7 | 147.5 | 48 | 0 | 0 | 0 | 0 | 109.3 | A334 | A334-T337 HydrophobicContact CB-CG2 4.03Š| ||
| 338 | N | 26.5 | Very low | 31.8 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 68% | 0.684 | 72% | 0.724 | S | S | * | * | 176.4 | 146.6 | 123.9 | -100.5 | -63.8 | 0 | 0 | 0 | 114.2 | |||||
| 339 | Q | 26.7 | Very low | 31.3 | Very low | 155 Ų | 155 | 119.9 Ų | 119.9 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | trans | 55.9 | 84.2 | 146.2 | -64 | 162.5 | 42.8 | 0 | 0 | 118.5 | ||||
| 340 | N | 26.8 | Very low | 31.3 | Very low | 171 Ų | 171 | 117.7 Ų | 117.7 | 91% | 0.914 | 70% | 0.703 | S | S | * | * | -165 | 152 | 90.8 | -86.9 | -40.2 | 0 | 0 | 0 | 109.9 | |||||
| 341 | G | 24.6 | Very low | 31.9 | Very low | 77 Ų | 77 | 122.1 Ų | 122.1 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | trans | -116.5 | 149.9 | -158.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 342 | S | 25.1 | Very low | 33 | Very low | 120 Ų | 120 | 119.4 Ų | 119.4 | 84% | 0.839 | 70% | 0.702 | S | S | * | * | trans | -167.6 | 149.4 | 148.8 | 54.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 343 | A | 28 | Very low | 34 | Very low | 101 Ų | 101 | 118.7 Ų | 118.7 | 84% | 0.835 | 70% | 0.698 | S | S | * | * | trans | 58.2 | 123 | 162.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 344 | I | 29.4 | Very low | 35.7 | Very low | 151 Ų | 151 | 115 Ų | 115 | 77% | 0.774 | 67% | 0.672 | S | S | * | * | trans | -83.4 | 136.2 | 166.6 | -62.4 | 159.8 | 0 | 0 | 0 | 109.3 | ||||
| 345 | I | 28.4 | Very low | 37.3 | Very low | 153 Ų | 153 | 118 Ų | 118 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | trans | -133.9 | 127.6 | 149.6 | -61.8 | -176.2 | 0 | 0 | 0 | 107.9 | ||||
| 346 | H | 27.3 | Very low | 39.5 | Very low | 158 Ų | 158 | 120.9 Ų | 120.9 | 73% | 0.731 | 67% | 0.665 | S | S | * | * | trans | -69.1 | 139.4 | 171.4 | -82.3 | -122.8 | 0 | 0 | 0 | 110.5 | ||||
| 347 | N | 31.2 | Very low | 41.6 | Very low | 128 Ų | 128 | 114.2 Ų | 114.2 | 68% | 0.684 | 63% | 0.625 | S | S | * | * | trans | -146.5 | 124.2 | 158.3 | -95.3 | -37.4 | 0 | 0 | 0 | 108.6 | C349 | N347-C349 PolarHBondContact O-N 2.58Š| ||
| 348 | E | 32.1 | Very low | 43.7 | Very low | 182 Ų | 182 | 112.7 Ų | 112.7 | 85% | 0.85 | 61% | 0.61 | S | S | * | * | trans | -81.8 | 9 | -168.4 | -62.8 | 176.1 | 110 | 0 | 0 | 113.9 | T350 | E348-T350 VanDerWaalsContact C-N 3.27Å; E348-T350 PolarHBondContact O-N 2.88Å; E348-T350 VanDerWaalsContact O-N 3.11Å | ||
| 349 | C | 35.4 | Very low | 45.8 | Very low | 87 Ų | 87 | 108.3 Ų | 108.3 | 59% | 0.588 | 60% | 0.595 | S | S | * | * | trans | -83.1 | 24.5 | -168.3 | -55.2 | 0 | 0 | 0 | 0 | 115.4 | N347 | N347-C349 PolarHBondContact O-N 2.58Š| ||
| 350 | T | 46.6 | Very low | 48.1 | Very low | 96 Ų | 96 | 101.1 Ų | 101.1 | 59% | 0.589 | 56% | 0.561 | S | S | * | * | trans | -133.3 | 29.3 | -167.2 | 52 | 0 | 0 | 0 | 0 | 115.1 | E348 | E348-T350 VanDerWaalsContact C-N 3.27Å; E348-T350 PolarHBondContact O-N 2.88Å; E348-T350 VanDerWaalsContact O-N 3.11Å | ||
| 351 | K | 57.1 | Low | 50.3 | Low | 176 Ų | 176 | 93.4 Ų | 93.4 | 77% | 0.765 | 52% | 0.521 | S | S | * | . | trans | -103.7 | 149 | 164.2 | -74.3 | -168.2 | 172.7 | -168.6 | 0 | 111.5 | N236 | N236-K351 PolarHBondContact ND2-O 3.42Š| ||
| 352 | I | 62.5 | Low | 52.5 | Low | 42 Ų | 42 | 95.4 Ų | 95.4 | 22% | 0.215 | 51% | 0.51 | C | S | . | . | trans | -89.9 | 139.3 | 169.9 | -63.1 | 174.3 | 0 | 0 | 0 | 108.3 | V232 L235 N236 I239 I323 L332 Y354 | V232-I352 HydrophobicContact CG1-CG1 4.19Å; L235-I352 HydrophobicContact CD1-CD1 4.21Å; N236-I352 WeakPolarHBondContact OD1-CA 3.28Å; I239-I352 HydrophobicContact CD1-CG2 3.57Å; I323-I352 HydrophobicContact CD1-CD1 4.14Å; L332-I352 HydrophobicContact CD1-CD1 4Å; I352-Y354 PolarHBondContact O-N 3.38Å | ||
| 353 | D | 66.8 | Low | 55.1 | Low | 55 Ų | 55 | 94.5 Ų | 94.5 | 29% | 0.294 | 49% | 0.491 | S | S | . | . | trans | -72.2 | 61.6 | 178.3 | -87.5 | 5 | 0 | 0 | 0 | 112.4 | N236 I239 D355 R356 L357 | N236-D353 PolarHBondContact OD1-N 3.2Å; I239-D353 HydrophobicContact CG2-CB 4.08Å; D353-D355 PolarHBondContact O-N 3.1Å; D353-R356 HydrophobicContact CB-CB 4.39Å; D353-R356 PolarHBondContact O-N 2.64Å; D353-R356 WeakPolarHBondContact OD2-CD 3.45Å; D353-R356 IonicContact OD2-CZ 2.81Å; D353-R356 IonicContact OD2-NE 2.72Å; D353-R356 IonicContact OD2-NH1 3.59Å; D353-R356 PolarHBondContact OD2-NH1 3.25Å; D353-L357 PolarHBondContact O-N 3.35Å | ||
| 354 | Y | 67.5 | Low | 57.3 | Low | 41 Ų | 41 | 89.7 Ų | 89.7 | 16% | 0.161 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -58.7 | -43 | -173.5 | 179 | -96.2 | 0 | 0 | 0 | 113.1 | I323 I352 R356 L357 Q358 | I323-Y354 HydrophobicContact CG2-CD2 3.95Å; I323-Y354 HydrophobicContact CG2-CE2 4.3Å; I352-Y354 PolarHBondContact O-N 3.38Å; Y354-R356 VanDerWaalsContact C-N 3.31Å; Y354-R356 PolarHBondContact O-N 2.9Å; Y354-L357 PolarHBondContact O-N 3.09Å; Y354-L357 VanDerWaalsContact O-N 3.15Å; Y354-Q358 HydrophobicContact CE1-CB 4.08Å; Y354-Q358 HydrophobicContact CE1-CG 4.42Å; Y354-Q358 PolarHBondContact O-N 3.08Å; Y354-Q358 PolarHBondContact OH-NE2 3.08Å |
| 355 | D | 66.5 | Low | 59.5 | Low | 131 Ų | 131 | 83.3 Ų | 83.3 | 70% | 0.701 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.9 | -38.9 | -179.2 | -62.1 | -29.8 | 0 | 0 | 0 | 112.7 | D353 G359 | D353-D355 PolarHBondContact O-N 3.1Å; D355-G359 PolarHBondContact O-N 2.96Å |
| 356 | R | 69.6 | Low | 61.6 | Low | 137 Ų | 137 | 78 Ų | 78 | 52% | 0.517 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 176.9 | -73.8 | 180 | 165 | 159.6 | -9.7 | 111.3 | I239 D353 Y354 F360 | I239-R356 HydrophobicContact CG2-CB 4.14Å; D353-R356 HydrophobicContact CB-CB 4.39Å; D353-R356 PolarHBondContact O-N 2.64Å; D353-R356 WeakPolarHBondContact OD2-CD 3.45Å; D353-R356 IonicContact OD2-CZ 2.81Å; D353-R356 IonicContact OD2-NE 2.72Å; D353-R356 IonicContact OD2-NH1 3.59Å; D353-R356 PolarHBondContact OD2-NH1 3.25Å; Y354-R356 VanDerWaalsContact C-N 3.31Å; Y354-R356 PolarHBondContact O-N 2.9Å; R356-F360 WeakPolarHBondContact O-CB 3.33Å; R356-F360 PolarHBondContact O-N 3Å |
| 357 | L | 69.8 | Low | 63.8 | Low | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.016 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 178.3 | 175.1 | 60.8 | 0 | 0 | 0 | 111.7 | I239 F283 I320 I323 V324 D353 Y354 F360 A361 | I239-L357 HydrophobicContact CD1-CB 4.44Å; I239-L357 HydrophobicContact CD1-CD2 4.11Å; I239-L357 HydrophobicContact CG1-CB 4.39Å; I239-L357 HydrophobicContact CG1-CD1 4.49Å; I239-L357 HydrophobicContact CG1-CD2 4.38Å; I239-L357 HydrophobicContact CG2-CB 4.09Å; F283-L357 HydrophobicContact CE1-CD1 4.3Å; F283-L357 HydrophobicContact CZ-CD1 3.9Å; I320-L357 HydrophobicContact CG2-CD1 3.52Å; I320-L357 HydrophobicContact CG2-CD2 3.84Å; I320-L357 HydrophobicContact CG2-CG 4.31Å; I323-L357 HydrophobicContact CB-CD2 4.4Å; I323-L357 HydrophobicContact CG2-CD2 3.84Å; V324-L357 HydrophobicContact CG2-CD1 3.85Å; V324-L357 HydrophobicContact CG2-CD2 3.86Å; V324-L357 HydrophobicContact CG2-CG 3.69Å; D353-L357 PolarHBondContact O-N 3.35Å; Y354-L357 PolarHBondContact O-N 3.09Å; Y354-L357 VanDerWaalsContact O-N 3.15Å; L357-F360 PolarHBondContact O-N 2.85Å; L357-A361 PolarHBondContact O-N 3.5Å |
| 358 | Q | 69.5 | Low | 65.8 | Low | 75 Ų | 75 | 65.1 Ų | 65.1 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 176.5 | -165.2 | 179.9 | 31.1 | 0 | 0 | 111.4 | Y354 A361 Q362 | Y354-Q358 HydrophobicContact CE1-CB 4.08Å; Y354-Q358 HydrophobicContact CE1-CG 4.42Å; Y354-Q358 PolarHBondContact O-N 3.08Å; Y354-Q358 PolarHBondContact OH-NE2 3.08Å; Q358-A361 PolarHBondContact O-N 3.15Å; Q358-Q362 HydrophobicContact CG-CG 4.49Å; Q358-Q362 WeakPolarHBondContact O-CB 3.5Å; Q358-Q362 WeakPolarHBondContact O-CG 3.4Å; Q358-Q362 PolarHBondContact O-N 2.81Å |
| 359 | G | 72 | Confident | 67.5 | Low | 35 Ų | 35 | 59.4 Ų | 59.4 | 36% | 0.361 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D355 Q362 F363 | D355-G359 PolarHBondContact O-N 2.96Å; G359-Q362 PolarHBondContact O-N 3.47Å; G359-F363 VanDerWaalsContact O-CB 3.31Å; G359-F363 WeakPolarHBondContact O-CB 3.48Å; G359-F363 PolarHBondContact O-N 3.37Å |
| 360 | F | 74.3 | Confident | 69 | Low | 5 Ų | 5 | 59.7 Ų | 59.7 | 2% | 0.022 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.1 | -48.6 | 173.9 | 177.5 | -94.3 | 0 | 0 | 0 | 111.9 | L242 I246 F249 F283 R356 L357 F363 I364 | L242-F360 HydrophobicContact CB-CD2 4.42Å; L242-F360 HydrophobicContact CB-CE1 4.43Å; L242-F360 HydrophobicContact CB-CE2 4.01Å; L242-F360 HydrophobicContact CB-CZ 4.02Å; L242-F360 HydrophobicContact CD2-CZ 4.17Å; L242-F360 VanDerWaalsContact O-CE2 3.27Å; L242-F360 WeakPolarHBondContact O-CE2 3.22Å; I246-F360 HydrophobicContact CB-CD2 4.05Å; I246-F360 HydrophobicContact CB-CE2 4.37Å; I246-F360 HydrophobicContact CD1-CB 4.35Å; I246-F360 HydrophobicContact CD1-CD2 4.02Å; I246-F360 HydrophobicContact CG1-CD2 3.79Å; I246-F360 HydrophobicContact CG1-CE2 4.31Å; F249-F360 HydrophobicContact CD2-CZ 4.41Å; F283-F360 HydrophobicContact CE1-CE1 4.42Å; F283-F360 HydrophobicContact CZ-CD1 4.11Å; F283-F360 AromaticContact CZ-CE1 3.96Å; F283-F360 HydrophobicContact CZ-CE1 3.96Å; R356-F360 WeakPolarHBondContact O-CB 3.33Å; R356-F360 PolarHBondContact O-N 3Å; L357-F360 PolarHBondContact O-N 2.85Å; F360-F363 PolarHBondContact O-N 2.86Å; F360-I364 HydrophobicContact CD1-CD1 3.83Å; F360-I364 HydrophobicContact CD2-CD1 4.15Å; F360-I364 HydrophobicContact CE1-CD1 3.41Å; F360-I364 VanDerWaalsContact CE1-CD1 3.41Å; F360-I364 HydrophobicContact CE2-CD1 3.76Å; F360-I364 HydrophobicContact CG-CD1 4.19Å; F360-I364 HydrophobicContact CZ-CD1 3.37Å; F360-I364 WeakPolarHBondContact O-CG1 3.24Å; F360-I364 PolarHBondContact O-N 3.3Å; F360-I364 VanDerWaalsContact O-N 3.15Å |
| 361 | A | 71.9 | Confident | 69.6 | Low | 9 Ų | 9 | 57.9 Ų | 57.9 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.3 | -45 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | V324 L357 Q358 I364 L365 | V324-A361 HydrophobicContact CG1-CB 4.18Å; L357-A361 PolarHBondContact O-N 3.5Å; Q358-A361 PolarHBondContact O-N 3.15Å; A361-I364 PolarHBondContact O-N 3.02Å; A361-L365 WeakPolarHBondContact O-CB 3.43Å; A361-L365 WeakPolarHBondContact O-CD1 3.26Å; A361-L365 WeakPolarHBondContact O-CG 3.48Å; A361-L365 PolarHBondContact O-N 3.23Å |
| 362 | Q | 72.5 | Confident | 69.7 | Low | 119 Ų | 119 | 50 Ų | 50 | 56% | 0.556 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.6 | -42.1 | 178.2 | -74.5 | -179.9 | 6.9 | 0 | 0 | 112.4 | Q358 G359 L365 G366 | Q358-Q362 HydrophobicContact CG-CG 4.49Å; Q358-Q362 WeakPolarHBondContact O-CB 3.5Å; Q358-Q362 WeakPolarHBondContact O-CG 3.4Å; Q358-Q362 PolarHBondContact O-N 2.81Å; G359-Q362 PolarHBondContact O-N 3.47Å; Q362-L365 PolarHBondContact O-N 3.5Å; Q362-G366 PolarHBondContact O-N 3.39Å |
| 363 | F | 78.5 | Confident | 69.5 | Low | 100 Ų | 100 | 49.7 Ų | 49.7 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61 | -48.7 | 177.5 | 178.2 | -97.8 | 0 | 0 | 0 | 111.9 | I246 G359 F360 G366 A367 | I246-F363 HydrophobicContact CD1-CB 3.94Å; I246-F363 HydrophobicContact CD1-CD1 3.76Å; I246-F363 HydrophobicContact CD1-CE1 4.47Å; I246-F363 HydrophobicContact CD1-CG 3.91Å; I246-F363 HydrophobicContact CG1-CD1 3.53Å; I246-F363 HydrophobicContact CG1-CE1 3.93Å; I246-F363 HydrophobicContact CG1-CG 4.21Å; G359-F363 VanDerWaalsContact O-CB 3.31Å; G359-F363 WeakPolarHBondContact O-CB 3.48Å; G359-F363 PolarHBondContact O-N 3.37Å; F360-F363 PolarHBondContact O-N 2.86Å; F363-G366 PolarHBondContact O-N 3.1Å; F363-A367 VanDerWaalsContact O-CB 3.31Å; F363-A367 WeakPolarHBondContact O-CB 3.12Å; F363-A367 PolarHBondContact O-N 3.3Å |
| 364 | I | 75.1 | Confident | 68.6 | Low | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 179.5 | -72.6 | 167.4 | 0 | 0 | 0 | 111.3 | F249 L254 L257 I282 F360 A361 A367 A368 | F249-I364 HydrophobicContact CD1-CD1 4.37Å; F249-I364 HydrophobicContact CD1-CG1 4.21Å; F249-I364 HydrophobicContact CD1-CG2 4.4Å; F249-I364 HydrophobicContact CD2-CD1 3.55Å; F249-I364 HydrophobicContact CD2-CG1 4.21Å; F249-I364 HydrophobicContact CE1-CD1 4.47Å; F249-I364 HydrophobicContact CE1-CG1 4.46Å; F249-I364 HydrophobicContact CE1-CG2 3.92Å; F249-I364 HydrophobicContact CE2-CD1 3.66Å; F249-I364 HydrophobicContact CE2-CG1 4.47Å; F249-I364 HydrophobicContact CG-CD1 3.93Å; F249-I364 HydrophobicContact CG-CG1 4.07Å; F249-I364 HydrophobicContact CZ-CD1 4.13Å; F249-I364 HydrophobicContact CZ-CG2 4.07Å; L254-I364 HydrophobicContact CD2-CB 4.46Å; L254-I364 HydrophobicContact CD2-CG2 3.85Å; L254-I364 WeakPolarHBondContact CD2-O 3.46Å; L257-I364 HydrophobicContact CD2-CG2 4Å; I282-I364 HydrophobicContact CD1-CG2 3.94Å; F360-I364 HydrophobicContact CD1-CD1 3.83Å; F360-I364 HydrophobicContact CD2-CD1 4.15Å; F360-I364 HydrophobicContact CE1-CD1 3.41Å; F360-I364 VanDerWaalsContact CE1-CD1 3.41Å; F360-I364 HydrophobicContact CE2-CD1 3.76Å; F360-I364 HydrophobicContact CG-CD1 4.19Å; F360-I364 HydrophobicContact CZ-CD1 3.37Å; F360-I364 WeakPolarHBondContact O-CG1 3.24Å; F360-I364 PolarHBondContact O-N 3.3Å; F360-I364 VanDerWaalsContact O-N 3.15Å; A361-I364 PolarHBondContact O-N 3.02Å; I364-A367 PolarHBondContact O-N 3.38Å; I364-A368 VanDerWaalsContact O-CB 3.32Å; I364-A368 WeakPolarHBondContact O-CB 3.48Å; I364-A368 PolarHBondContact O-N 3Å |
| 365 | L | 74.6 | Confident | 67.6 | Low | 17 Ų | 17 | 53.9 Ų | 53.9 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 178.1 | -78.3 | 163.6 | 0 | 0 | 0 | 112.6 | L257 R261 L275 C278 A361 Q362 D369 | L257-L365 HydrophobicContact CD2-CD2 4.37Å; R261-L365 PolarHBondContact NH1-O 3.19Å; L275-L365 HydrophobicContact CD2-CD1 3.56Å; L275-L365 HydrophobicContact CD2-CD2 4.21Å; C278-L365 HydrophobicContact CB-CD2 3.86Å; A361-L365 WeakPolarHBondContact O-CB 3.43Å; A361-L365 WeakPolarHBondContact O-CD1 3.26Å; A361-L365 WeakPolarHBondContact O-CG 3.48Å; A361-L365 PolarHBondContact O-N 3.23Å; Q362-L365 PolarHBondContact O-N 3.5Å; L365-D369 PolarHBondContact O-N 2.81Å |
| 366 | G | 72.5 | Confident | 66.1 | Low | 41 Ų | 41 | 50.6 Ų | 50.6 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70 | -40.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q362 F363 D369 S370 | Q362-G366 PolarHBondContact O-N 3.39Å; F363-G366 PolarHBondContact O-N 3.1Å; G366-D369 PolarHBondContact O-N 3.05Å; G366-S370 PolarHBondContact O-N 3.41Å |
| 367 | A | 74.2 | Confident | 64.7 | Low | 16 Ų | 16 | 48.7 Ų | 48.7 | 13% | 0.132 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L254 F363 I364 D369 S370 M371 | L254-A367 HydrophobicContact CD1-CB 4.07Å; L254-A367 HydrophobicContact CD2-CB 4.13Å; F363-A367 VanDerWaalsContact O-CB 3.31Å; F363-A367 WeakPolarHBondContact O-CB 3.12Å; F363-A367 PolarHBondContact O-N 3.3Å; I364-A367 PolarHBondContact O-N 3.38Å; A367-D369 PolarHBondContact O-N 3.11Å; A367-S370 PolarHBondContact O-N 2.93Å; A367-S370 VanDerWaalsContact O-N 3.11Å; A367-S370 PolarHBondContact O-OG 2.98Å; A367-M371 HydrophobicContact CB-CE 4.2Å; A367-M371 HydrophobicContact CB-SD 4.48Å; A367-M371 VanDerWaalsContact O-CG 3.28Å; A367-M371 WeakPolarHBondContact O-CG 3.21Å; A367-M371 PolarHBondContact O-N 3.41Å |
| 368 | A | 72 | Confident | 63.3 | Low | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L254 L257 G258 I364 S370 M371 A372 | L254-A368 HydrophobicContact CD2-CB 4.26Å; L254-A368 WeakPolarHBondContact O-CB 3.45Å; L257-A368 HydrophobicContact CB-CB 4.07Å; L257-A368 HydrophobicContact CD2-CB 3.9Å; L257-A368 HydrophobicContact CG-CB 4.21Å; G258-A368 WeakPolarHBondContact CA-O 3.14Å; I364-A368 VanDerWaalsContact O-CB 3.32Å; I364-A368 WeakPolarHBondContact O-CB 3.48Å; I364-A368 PolarHBondContact O-N 3Å; A368-S370 PolarHBondContact O-N 3.11Å; A368-M371 PolarHBondContact O-N 3.26Å; A368-M371 VanDerWaalsContact O-N 3.16Å; A368-A372 PolarHBondContact O-N 2.85Å |
| 369 | D | 68.1 | Low | 61.6 | Low | 62 Ų | 62 | 54.1 Ų | 54.1 | 33% | 0.332 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.5 | -34.8 | 175.7 | -74.7 | -26.7 | 0 | 0 | 0 | 112.5 | R261 R262 L365 G366 A367 M371 | R261-D369 VanDerWaalsContact CZ-CG 3.44Å; R261-D369 IonicContact CZ-OD1 2.84Å; R261-D369 IonicContact CZ-OD2 3.17Å; R261-D369 IonicContact NE-OD1 3.07Å; R261-D369 IonicContact NH1-OD1 3.04Å; R261-D369 PolarHBondContact NH1-OD1 3.14Å; R261-D369 IonicContact NH1-OD2 3.36Å; R261-D369 PolarHBondContact NH1-OD2 3.18Å; R261-D369 IonicContact NH2-OD1 2.65Å; R261-D369 PolarHBondContact NH2-OD1 3.08Å; R261-D369 IonicContact NH2-OD2 2.88Å; R261-D369 PolarHBondContact NH2-OD2 2.81Å; R262-D369 PolarHBondContact NH2-O 3.46Å; L365-D369 PolarHBondContact O-N 2.81Å; G366-D369 PolarHBondContact O-N 3.05Å; A367-D369 PolarHBondContact O-N 3.11Å; D369-M371 VanDerWaalsContact C-N 3.35Å |
| 370 | S | 67 | Low | 59.7 | Low | 93 Ų | 93 | 60.1 Ų | 60.1 | 65% | 0.65 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -77.9 | -14.4 | -179.4 | 77.1 | 0 | 0 | 0 | 0 | 114.6 | G366 A367 A368 | G366-S370 PolarHBondContact O-N 3.41Å; A367-S370 PolarHBondContact O-N 2.93Å; A367-S370 VanDerWaalsContact O-N 3.11Å; A367-S370 PolarHBondContact O-OG 2.98Å; A368-S370 PolarHBondContact O-N 3.11Å |
| 371 | M | 60.4 | Low | 57.8 | Low | 57 Ų | 57 | 62.7 Ų | 62.7 | 28% | 0.281 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -112.3 | -4.2 | -168.7 | -66.8 | 167.2 | -179.4 | 0 | 0 | 114.7 | Q251 L254 I255 A367 A368 D369 | Q251-M371 PolarHBondContact NE2-SD 2.95Å; Q251-M371 PolarHBondContact OE1-SD 3.36Å; Q251-M371 VanDerWaalsContact OE1-SD 3.39Å; L254-M371 HydrophobicContact CB-SD 3.6Å; L254-M371 HydrophobicContact CD1-CE 4.05Å; L254-M371 HydrophobicContact CD1-SD 3.63Å; L254-M371 HydrophobicContact CG-SD 4.22Å; I255-M371 HydrophobicContact CG1-CB 4.08Å; A367-M371 HydrophobicContact CB-CE 4.2Å; A367-M371 HydrophobicContact CB-SD 4.48Å; A367-M371 VanDerWaalsContact O-CG 3.28Å; A367-M371 WeakPolarHBondContact O-CG 3.21Å; A367-M371 PolarHBondContact O-N 3.41Å; A368-M371 PolarHBondContact O-N 3.26Å; A368-M371 VanDerWaalsContact O-N 3.16Å; D369-M371 VanDerWaalsContact C-N 3.35Å |
| 372 | A | 58.8 | Low | 55.9 | Low | 10 Ų | 10 | 64.6 Ų | 64.6 | 8% | 0.083 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -74.4 | 142.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G258 R262 A368 | G258-A372 VanDerWaalsContact C-CB 3.47Å; R262-A372 HydrophobicContact CG-CB 4.48Å; R262-A372 VanDerWaalsContact CZ-CB 3.44Å; R262-A372 VanDerWaalsContact NH1-C 3.32Å; R262-A372 PolarHBondContact NH1-O 3.26Å; R262-A372 PolarHBondContact NH2-O 3.2Å; A368-A372 PolarHBondContact O-N 2.85Å |
| 373 | F | 57.2 | Low | 53.9 | Low | 37 Ų | 37 | 65.8 Ų | 65.8 | 16% | 0.162 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 145.3 | -169.1 | -64.2 | -56.2 | 0 | 0 | 0 | 113.9 | Q147 A151 I255 N259 R262 L377 | Q147-F373 HydrophobicContact CB-CZ 4.11Å; A151-F373 HydrophobicContact CB-CD2 4.49Å; A151-F373 HydrophobicContact CB-CE2 4.06Å; I255-F373 HydrophobicContact CG2-CE1 4.09Å; I255-F373 HydrophobicContact CG2-CE2 3.78Å; I255-F373 HydrophobicContact CG2-CZ 3.52Å; N259-F373 WeakPolarHBondContact ND2-CD2 3.45Å; N259-F373 WeakPolarHBondContact ND2-CE2 3.19Å; N259-F373 PolarHBondContact OD1-N 2.93Å; R262-F373 PolarHBondContact NH1-O 3.47Å; F373-L377 HydrophobicContact CB-CD1 4.4Å; F373-L377 HydrophobicContact CD1-CD1 4.22Å; F373-L377 HydrophobicContact CG-CD1 4.44Å |
| 374 | P | 48.4 | Very low | 51.5 | Low | 75 Ų | 75 | 67.9 Ų | 67.9 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 142.9 | 172.3 | 30.6 | -34.9 | 0 | 0 | 0 | 111.4 | S376 L377 | P374-S376 PolarHBondContact O-N 2.97Å; P374-L377 PolarHBondContact O-N 3.01Å |
| 375 | N | 45.7 | Very low | 49.4 | Very low | 109 Ų | 109 | 75 Ų | 75 | 58% | 0.583 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.7 | -176.9 | -64.5 | 8.9 | 0 | 0 | 0 | 113.9 | L377 F378 E379 | N375-L377 PolarHBondContact O-N 3.34Å; N375-L377 VanDerWaalsContact O-N 3.13Å; N375-F378 WeakPolarHBondContact O-CA 3.38Å; N375-F378 WeakPolarHBondContact O-CB 3.49Å; N375-F378 PolarHBondContact O-N 3.12Å; N375-E379 PolarHBondContact O-N 3.36Å; N375-E379 VanDerWaalsContact O-N 3.08Å |
| 376 | S | 35.1 | Very low | 47.2 | Very low | 62 Ų | 62 | 81 Ų | 81 | 43% | 0.434 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.6 | -20 | -178.4 | 53.5 | 0 | 0 | 0 | 0 | 114.8 | P374 K380 | P374-S376 PolarHBondContact O-N 2.97Å; S376-K380 WeakPolarHBondContact O-CB 3.37Å; S376-K380 PolarHBondContact O-N 3.45Å; S376-K380 VanDerWaalsContact O-N 3.15Å |
| 377 | L | 40.5 | Very low | 45 | Very low | 96 Ų | 96 | 85.7 Ų | 85.7 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -73.2 | -27.6 | 170.4 | -78.9 | 172 | 0 | 0 | 0 | 113 | F373 P374 N375 C381 | F373-L377 HydrophobicContact CB-CD1 4.4Å; F373-L377 HydrophobicContact CD1-CD1 4.22Å; F373-L377 HydrophobicContact CG-CD1 4.44Å; P374-L377 PolarHBondContact O-N 3.01Å; N375-L377 PolarHBondContact O-N 3.34Å; N375-L377 VanDerWaalsContact O-N 3.13Å; L377-C381 PolarHBondContact O-SG 3.28Å |
| 378 | F | 41.1 | Very low | 42.7 | Very low | 68 Ų | 68 | 88.2 Ų | 88.2 | 30% | 0.298 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -84.6 | -38.9 | 174.8 | -63.9 | -80.6 | 0 | 0 | 0 | 111.2 | Q155 N375 | Q155-F378 HydrophobicContact CB-CE1 4.16Å; Q155-F378 HydrophobicContact CG-CD1 4.09Å; Q155-F378 HydrophobicContact CG-CE1 4.19Å; N375-F378 WeakPolarHBondContact O-CA 3.38Å; N375-F378 WeakPolarHBondContact O-CB 3.49Å; N375-F378 PolarHBondContact O-N 3.12Å |
| 379 | E | 34.4 | Very low | 40.4 | Very low | 124 Ų | 124 | 95.6 Ų | 95.6 | 58% | 0.579 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.6 | -44.7 | 179.9 | -68.6 | 172.9 | 133.2 | 0 | 0 | 112.8 | N375 C381 S382 | N375-E379 PolarHBondContact O-N 3.36Å; N375-E379 VanDerWaalsContact O-N 3.08Å; E379-C381 PolarHBondContact O-N 2.95Å; E379-S382 PolarHBondContact O-N 3.44Å; E379-S382 VanDerWaalsContact O-N 3.08Å; E379-S382 PolarHBondContact O-OG 3.46Å |
| 380 | K | 32 | Very low | 38.4 | Very low | 162 Ų | 162 | 99.6 Ų | 99.6 | 70% | 0.704 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.7 | -10.3 | 179.6 | -83.3 | -166.1 | 168.8 | -170.3 | 0 | 115.4 | S376 | S376-K380 WeakPolarHBondContact O-CB 3.37Å; S376-K380 PolarHBondContact O-N 3.45Å; S376-K380 VanDerWaalsContact O-N 3.15Å |
| 381 | C | 33.3 | Very low | 36.6 | Very low | 59 Ų | 59 | 104.4 Ų | 104.4 | 40% | 0.399 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -98.8 | -16.5 | 175.9 | -65.1 | 0 | 0 | 0 | 0 | 112.9 | L377 E379 | L377-C381 PolarHBondContact O-SG 3.28Å; E379-C381 PolarHBondContact O-N 2.95Å |
| 382 | S | 31.9 | Very low | 34.9 | Very low | 48 Ų | 48 | 109.4 Ų | 109.4 | 34% | 0.336 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -79.2 | -31.5 | -177.4 | 64.2 | 0 | 0 | 0 | 0 | 113.2 | E379 N384 L385 L386 | E379-S382 PolarHBondContact O-N 3.44Å; E379-S382 VanDerWaalsContact O-N 3.08Å; E379-S382 PolarHBondContact O-OG 3.46Å; S382-N384 VanDerWaalsContact C-N 3.26Å; S382-N384 PolarHBondContact O-N 2.93Å; S382-L385 PolarHBondContact O-N 3.5Å; S382-L386 PolarHBondContact O-N 3.4Å |
| 383 | E | 30.1 | Very low | 33.3 | Very low | 144 Ų | 144 | 118.1 Ų | 118.1 | 67% | 0.673 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -34.3 | 176.5 | -64.5 | -174.6 | 126.5 | 0 | 0 | 112.5 | L385 | E383-L385 VanDerWaalsContact C-N 3.33Å; E383-L385 PolarHBondContact O-N 2.98Å |
| 384 | N | 29.4 | Very low | 31.7 | Very low | 144 Ų | 144 | 124.4 Ų | 124.4 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -1.2 | 180 | -68.9 | -39.5 | 0 | 0 | 0 | 114.4 | S382 | S382-N384 VanDerWaalsContact C-N 3.26Å; S382-N384 PolarHBondContact O-N 2.93Å |
| 385 | L | 29.7 | Very low | 30.8 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 80% | 0.796 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | -10.2 | -179.5 | -135.1 | 77 | 0 | 0 | 0 | 114.1 | S382 E383 | S382-L385 PolarHBondContact O-N 3.5Å; E383-L385 VanDerWaalsContact C-N 3.33Å; E383-L385 PolarHBondContact O-N 2.98Å |
| 386 | L | 28.4 | Very low | 29.8 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 74% | 0.738 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -100 | -5 | -177.2 | -75.4 | 168.5 | 0 | 0 | 0 | 114.7 | S382 G388 | S382-L386 PolarHBondContact O-N 3.4Å; L386-G388 PolarHBondContact O-N 2.92Å |
| 387 | V | 27.7 | Very low | 29.4 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 86% | 0.855 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -99.7 | 66.5 | 174.6 | -169.3 | 0 | 0 | 0 | 0 | 109.5 | ||
| 388 | G | 24.9 | Very low | 28.6 | Very low | 68 Ų | 68 | 133.9 Ų | 133.9 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -141.6 | -35 | -169.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | L386 | L386-G388 PolarHBondContact O-N 2.92Š|
| 389 | E | 24.5 | Very low | 27.7 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | trans | -152.7 | 101.3 | -176.2 | -138.6 | 177.2 | -124.1 | 0 | 0 | 113.4 | ||||
| 390 | N | 26.9 | Very low | 27.2 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | trans | -164.7 | 110.6 | 155.9 | -114.8 | -75.8 | 0 | 0 | 0 | 113.4 | ||||
| 391 | K | 28 | Very low | 26.8 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | trans | 74.5 | 144.1 | 165.7 | -56.6 | 176 | -175.9 | 170.5 | 0 | 118.4 | ||||
| 392 | L | 24.7 | Very low | 26.4 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | trans | -85.4 | 140.5 | 172.1 | -60.5 | 75 | 0 | 0 | 0 | 110.1 | ||||
| 393 | Q | 25.1 | Very low | 26 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | 161.6 | 129.4 | 121.4 | -87.2 | 177.5 | -49 | 0 | 0 | 112 | |||||
| 394 | H | 24.7 | Very low | 25.7 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | trans | -75 | 159.2 | 168.6 | -93.6 | -81.2 | 0 | 0 | 0 | 111 | ||||
| 395 | P | 29.7 | Very low | 25.4 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | -139 | -173.2 | 65.1 | 37.8 | -18.1 | 0 | 0 | 0 | 116.6 | |||||
| 396 | E | 23.7 | Very low | 25.1 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -103 | 163.8 | -163.5 | -47.7 | 110.5 | 137.8 | 0 | 0 | 116.4 | ||||
| 397 | S | 26.6 | Very low | 24.9 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -161.5 | 135.7 | 137.8 | 63.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 398 | D | 23 | Very low | 24.7 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -70.8 | 165.8 | -172.4 | -50.5 | -88.5 | 0 | 0 | 0 | 114.8 | ||||
| 399 | N | 23.4 | Very low | 24.7 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | cis | -143.5 | -143.3 | 11.5 | -141.2 | -42 | 0 | 0 | 0 | 110 | ||||
| 400 | C | 23.6 | Very low | 24.8 | Very low | 92 Ų | 92 | 141.2 Ų | 141.2 | 62% | 0.622 | 78% | 0.784 | S | S | * | * | cis | -159.9 | 166.4 | 11.4 | -145.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 401 | I | 23.9 | Very low | 24.8 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | 12.9 | 125.4 | 147.2 | -65.5 | 169.2 | 0 | 0 | 0 | 116.7 | ||||
| 402 | S | 23.2 | Very low | 24.7 | Very low | 89 Ų | 89 | 135.3 Ų | 135.3 | 62% | 0.622 | 77% | 0.772 | S | S | * | * | cis | -169.5 | 171.3 | 8.3 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 403 | K | 24.9 | Very low | 25 | Very low | 208 Ų | 208 | 129.4 Ų | 129.4 | 90% | 0.904 | 74% | 0.742 | S | S | * | * | trans | 71 | 140.6 | 174.1 | -51.6 | 171.2 | -175.8 | 173.6 | 0 | 114.8 | ||||
| 404 | G | 23 | Very low | 25.5 | Very low | 63 Ų | 63 | 123.4 Ų | 123.4 | 65% | 0.649 | 72% | 0.718 | S | S | * | * | cis | -179.6 | 145.5 | -8.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 405 | S | 22.6 | Very low | 25.9 | Very low | 124 Ų | 124 | 116.8 Ų | 116.8 | 87% | 0.867 | 69% | 0.691 | S | S | * | * | trans | 49.2 | 86.9 | 164.8 | 63.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 406 | C | 24.9 | Very low | 26.4 | Very low | 115 Ų | 115 | 115.4 Ų | 115.4 | 78% | 0.777 | 68% | 0.677 | S | S | * | * | trans | -166.4 | 64.5 | 144.1 | 49.5 | 0 | 0 | 0 | 0 | 114.4 | C408 | C406-C408 PolarHBondContact O-N 3.38Å; C406-C408 VanDerWaalsContact O-N 3.14Å | ||
| 407 | N | 23.1 | Very low | 27.2 | Very low | 152 Ų | 152 | 110.1 Ų | 110.1 | 81% | 0.813 | 65% | 0.654 | S | S | * | * | trans | -73.8 | 102.9 | 168 | -79.1 | 38.1 | 0 | 0 | 0 | 111 | ||||
| 408 | C | 24.9 | Very low | 27.6 | Very low | 119 Ų | 119 | 105 Ų | 105 | 80% | 0.804 | 62% | 0.618 | S | S | * | * | trans | -98.7 | 96 | 160.9 | -73.5 | 0 | 0 | 0 | 0 | 108.6 | C406 I410 | C406-C408 PolarHBondContact O-N 3.38Å; C406-C408 VanDerWaalsContact O-N 3.14Å; C408-I410 PolarHBondContact O-N 2.87Å | ||
| 409 | D | 25 | Very low | 28.5 | Very low | 133 Ų | 133 | 98.8 Ų | 98.8 | 71% | 0.711 | 58% | 0.584 | S | S | * | * | trans | -62.6 | 126.1 | -178.9 | -71.2 | -24.8 | 0 | 0 | 0 | 111.6 | V411 | D409-V411 PolarHBondContact O-N 3.11Š| ||
| 410 | I | 24.9 | Very low | 29.4 | Very low | 173 Ų | 173 | 94.1 Ų | 94.1 | 89% | 0.887 | 56% | 0.559 | S | S | * | * | trans | -73.2 | 106.8 | 176.2 | -60.4 | 170.6 | 0 | 0 | 0 | 108.7 | C408 | C408-I410 PolarHBondContact O-N 2.87Š| ||
| 411 | V | 27.4 | Very low | 30.1 | Very low | 126 Ų | 126 | 91.9 Ų | 91.9 | 76% | 0.764 | 54% | 0.54 | S | S | * | . | trans | -98.5 | 107.2 | 175.5 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | D409 I413 | D409-V411 PolarHBondContact O-N 3.11Å; V411-I413 PolarHBondContact O-N 3.08Å | ||
| 412 | S | 27.4 | Very low | 30.9 | Very low | 89 Ų | 89 | 85.6 Ų | 85.6 | 62% | 0.622 | 51% | 0.509 | S | S | * | . | trans | -63 | 126.7 | -179 | 61.3 | 0 | 0 | 0 | 0 | 112.4 | T414 | S412-T414 PolarHBondContact O-N 2.74Š| ||
| 413 | I | 30.1 | Very low | 31.8 | Very low | 39 Ų | 39 | 81.8 Ų | 81.8 | 20% | 0.2 | 48% | 0.484 | C | S | . | . | trans | -66.1 | 130.3 | 169.1 | -52.3 | 178.6 | 0 | 0 | 0 | 109.4 | Y41 L45 V411 N417 N1791 | Y41-I413 HydrophobicContact CD1-CD1 4.37Å; Y41-I413 HydrophobicContact CE1-CD1 3.66Å; L45-I413 HydrophobicContact CD2-CD1 4.47Å; V411-I413 PolarHBondContact O-N 3.08Å; I413-N417 HydrophobicContact CG2-CB 4.12Å; I413-N1791 HydrophobicContact CG2-CB 3.82Å; I413-N1791 WeakPolarHBondContact CG2-O 3.26Å | ||
| 414 | T | 34.5 | Very low | 32.6 | Very low | 68 Ų | 68 | 72.9 Ų | 72.9 | 42% | 0.417 | 45% | 0.447 | S | S | . | . | trans | -109 | 162.4 | -169.3 | 45.9 | 0 | 0 | 0 | 0 | 112.4 | S412 N416 N417 S1790 | S412-T414 PolarHBondContact O-N 2.74Å; T414-N416 PolarHBondContact O-N 3.45Å; T414-N416 WeakPolarHBondContact OG1-CA 3.39Å; T414-N417 CarbonylContact O-C 3.58Å; T414-N417 WeakPolarHBondContact O-CA 3.19Å; T414-N417 WeakPolarHBondContact O-CB 3.11Å; T414-N417 PolarHBondContact O-N 3.21Å; T414-S1790 CarbonylContact C-O 3.53Å | ||
| 415 | S | 34.1 | Very low | 33.3 | Very low | 30 Ų | 30 | 72.8 Ų | 72.8 | 21% | 0.21 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -64.2 | -25.6 | 163.7 | -46 | 0 | 0 | 0 | 0 | 112 | N417 L418 S1790 | S415-N417 PolarHBondContact O-N 2.89Å; S415-L418 PolarHBondContact O-N 2.82Å; S415-S1790 PolarHBondContact OG-OG 3.22Å |
| 416 | N | 40.5 | Very low | 34.3 | Very low | 91 Ų | 91 | 70.4 Ų | 70.4 | 49% | 0.487 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -32.3 | -7.7 | 142 | -64.1 | 30.9 | 0 | 0 | 0 | 118 | T414 L1794 | T414-N416 PolarHBondContact O-N 3.45Å; T414-N416 WeakPolarHBondContact OG1-CA 3.39Å; N416-L1794 HydrophobicContact CB-CD1 4.28Å; N416-L1794 VanDerWaalsContact O-CB 3.22Å; N416-L1794 WeakPolarHBondContact O-CB 3.16Å |
| 417 | N | 39.4 | Very low | 35.2 | Very low | 51 Ų | 51 | 66.8 Ų | 66.8 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -150.8 | 15.2 | -170 | -122.8 | -107.9 | 0 | 0 | 0 | 114.4 | I413 T414 S415 N1791 L1792 Q1793 L1794 | I413-N417 HydrophobicContact CG2-CB 4.12Å; T414-N417 CarbonylContact O-C 3.58Å; T414-N417 WeakPolarHBondContact O-CA 3.19Å; T414-N417 WeakPolarHBondContact O-CB 3.11Å; T414-N417 PolarHBondContact O-N 3.21Å; S415-N417 PolarHBondContact O-N 2.89Å; N417-N1791 CarbonylContact O-C 2.99Å; N417-N1791 VanDerWaalsContact O-C 3.26Å; N417-L1792 CarbonylContact O-C 3.26Å; N417-L1792 WeakPolarHBondContact O-CA 3.24Å; N417-L1792 PolarHBondContact O-N 3.47Å; N417-Q1793 CarbonylContact O-C 3.26Å; N417-Q1793 PolarHBondContact O-N 3.38Å; N417-L1794 PolarHBondContact O-N 3.22Å |
| 418 | L | 36.9 | Very low | 35.8 | Very low | 7 Ų | 7 | 66.6 Ų | 66.6 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 102.2 | 148.4 | -138 | 168 | 0 | 0 | 0 | 107.9 | S415 L1788 K1789 S1790 N1791 L1792 Q1793 | S415-L418 PolarHBondContact O-N 2.82Å; L418-L1788 HydrophobicContact CD1-CD2 4.21Å; L418-L1788 WeakPolarHBondContact CD1-O 3.28Å; L418-K1789 WeakPolarHBondContact CB-O 3.4Å; L418-K1789 HydrophobicContact CD2-CB 4.41Å; L418-K1789 HydrophobicContact CD2-CG 4.29Å; L418-K1789 WeakPolarHBondContact CD2-O 3.36Å; L418-S1790 WeakPolarHBondContact O-CA 3.38Å; L418-N1791 HydrophobicContact CD1-CB 4.3Å; L418-L1792 VanDerWaalsContact CB-N 3.35Å; L418-L1792 HydrophobicContact CD1-CB 4.27Å; L418-L1792 HydrophobicContact CD1-CD2 3.81Å; L418-L1792 HydrophobicContact CD2-CD2 4.18Å; L418-L1792 HydrophobicContact CG-CD2 3.84Å; L418-Q1793 CarbonylContact C-O 3.6Å; L418-Q1793 WeakPolarHBondContact CA-O 3.25Å; L418-Q1793 HydrophobicContact CB-CB 3.63Å; L418-Q1793 HydrophobicContact CB-CG 3.4Å; L418-Q1793 VanDerWaalsContact CB-N 3.33Å; L418-Q1793 HydrophobicContact CD2-CB 3.33Å; L418-Q1793 HydrophobicContact CD2-CG 3.07Å; L418-Q1793 HydrophobicContact CG-CB 3.24Å; L418-Q1793 HydrophobicContact CG-CG 3.33Å |
| 419 | N | 40.5 | Very low | 36.4 | Very low | 13 Ų | 13 | 64 Ų | 64 | 7% | 0.07 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | -44.5 | 154.8 | -92 | -71.4 | 0 | 0 | 0 | 120.3 | N448 V449 Q1793 | N419-N448 WeakPolarHBondContact OD1-CA 3.41Å; N419-N448 WeakPolarHBondContact OD1-CB 3.33Å; N419-V449 PolarHBondContact OD1-N 3.43Å; N419-Q1793 VanDerWaalsContact C-OE1 3.22Å; N419-Q1793 VanDerWaalsContact CA-CG 3.49Å; N419-Q1793 PolarHBondContact N-O 3.2Å; N419-Q1793 PolarHBondContact O-NE2 2.92Å; N419-Q1793 PolarHBondContact O-OE1 3.29Å |
| 420 | I | 41.9 | Very low | 37 | Very low | 45 Ų | 45 | 65 Ų | 65 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | 114.3 | 21.1 | -7.6 | -61.7 | 172.7 | 0 | 0 | 0 | 121 | Q1793 L1794 V1796 D1797 | I420-Q1793 CarbonylContact C-O 3.58Å; I420-Q1793 WeakPolarHBondContact CA-O 3.32Å; I420-Q1793 WeakPolarHBondContact CB-O 3.17Å; I420-Q1793 VanDerWaalsContact CG2-O 3.29Å; I420-Q1793 WeakPolarHBondContact CG2-O 3.44Å; I420-Q1793 CarbonylContact O-C 3.4Å; I420-L1794 HydrophobicContact CG2-CB 3.93Å; I420-L1794 HydrophobicContact CG2-CD1 3.64Å; I420-L1794 HydrophobicContact CG2-CG 3.61Å; I420-V1796 CarbonylContact O-C 3.11Å; I420-V1796 WeakPolarHBondContact O-CA 3.23Å; I420-D1797 VanDerWaalsContact CA-OD1 3.26Å; I420-D1797 WeakPolarHBondContact CA-OD1 3.23Å; I420-D1797 HydrophobicContact CB-CB 4.29Å; I420-D1797 HydrophobicContact CG1-CB 4.27Å; I420-D1797 HydrophobicContact CG2-CB 3.51Å; I420-D1797 PolarHBondContact O-N 2.87Å; I420-D1797 VanDerWaalsContact O-N 3.07Å; I420-D1797 VanDerWaalsContact O-OD1 3.1Å |
| 421 | L | 38.6 | Very low | 37.6 | Very low | 44 Ų | 44 | 65 Ų | 65 | 23% | 0.23 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -155.8 | -22.4 | 162.5 | 167.8 | 159.7 | 0 | 0 | 0 | 114 | G423 C424 T425 L1792 Q1793 V1796 | L421-G423 VanDerWaalsContact CA-N 3.33Å; L421-G423 CarbonylContact O-C 2.91Å; L421-G423 PolarHBondContact O-N 3.24Å; L421-C424 PolarHBondContact O-N 3.04Å; L421-T425 HydrophobicContact CD2-CG2 4.45Å; L421-T425 PolarHBondContact O-N 3.45Å; L421-L1792 HydrophobicContact CD2-CD2 4.38Å; L421-Q1793 HydrophobicContact CB-CB 3.33Å; L421-Q1793 HydrophobicContact CB-CG 4.47Å; L421-Q1793 VanDerWaalsContact N-CG 3.27Å; L421-V1796 VanDerWaalsContact CA-CG2 3.44Å; L421-V1796 HydrophobicContact CB-CB 3.83Å; L421-V1796 HydrophobicContact CB-CG2 3.34Å; L421-V1796 HydrophobicContact CD1-CG2 3.79Å; L421-V1796 HydrophobicContact CG-CB 4.37Å; L421-V1796 HydrophobicContact CG-CG2 3.34Å |
| 422 | V | 40.6 | Very low | 37.8 | Very low | 18 Ų | 18 | 66.1 Ų | 66.1 | 11% | 0.109 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -40.7 | -27.4 | 135.2 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | T425 R426 L445 | V422-T425 VanDerWaalsContact CA-OG1 3.27Å; V422-T425 WeakPolarHBondContact CA-OG1 3.32Å; V422-T425 PolarHBondContact O-OG1 2.7Å; V422-R426 HydrophobicContact CG1-CG 4.48Å; V422-R426 VanDerWaalsContact O-CB 3.23Å; V422-R426 WeakPolarHBondContact O-CB 3.33Å; V422-R426 WeakPolarHBondContact O-CD 3.12Å; V422-R426 WeakPolarHBondContact O-CG 3.42Å; V422-R426 PolarHBondContact O-N 2.92Å; V422-L445 HydrophobicContact CG1-CD1 4.06Å; V422-L445 HydrophobicContact CG2-CD1 4.09Å |
| 423 | G | 42.9 | Very low | 37.8 | Very low | 9 Ų | 9 | 69.5 Ų | 69.5 | 9% | 0.093 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -49.5 | -55 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | L421 R426 I427 | L421-G423 VanDerWaalsContact CA-N 3.33Å; L421-G423 CarbonylContact O-C 2.91Å; L421-G423 PolarHBondContact O-N 3.24Å; G423-R426 WeakPolarHBondContact O-CB 3.3Å; G423-R426 PolarHBondContact O-N 3.24Å; G423-I427 WeakPolarHBondContact O-CD1 3.3Å; G423-I427 VanDerWaalsContact O-CG1 3.26Å; G423-I427 WeakPolarHBondContact O-CG1 3.3Å; G423-I427 PolarHBondContact O-N 3.43Å |
| 424 | C | 41.7 | Very low | 37.7 | Very low | 21 Ų | 21 | 74.3 Ų | 74.3 | 14% | 0.142 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -87.7 | -24.2 | 178.2 | -87.6 | 0 | 0 | 0 | 0 | 111.9 | L421 R426 I427 F428 V1796 | L421-C424 PolarHBondContact O-N 3.04Å; C424-R426 PolarHBondContact O-N 2.99Å; C424-I427 PolarHBondContact O-N 3.39Å; C424-F428 WeakPolarHBondContact O-CA 3.43Å; C424-F428 WeakPolarHBondContact O-CB 3.46Å; C424-F428 PolarHBondContact O-N 3.32Å; C424-V1796 HydrophobicContact CB-CB 4.05Å; C424-V1796 HydrophobicContact CB-CG1 3.72Å; C424-V1796 HydrophobicContact CB-CG2 3.17Å; C424-V1796 VanDerWaalsContact N-CG1 3.33Å; C424-V1796 VanDerWaalsContact N-CG2 3.31Å; C424-V1796 WeakPolarHBondContact SG-CG1 3.42Å; C424-V1796 VanDerWaalsContact SG-CG2 3.58Å |
| 425 | T | 38.5 | Very low | 37.3 | Very low | 62 Ų | 62 | 76.4 Ų | 76.4 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.6 | -33.8 | 166 | 64.2 | 0 | 0 | 0 | 0 | 109 | L421 V422 L429 | L421-T425 HydrophobicContact CD2-CG2 4.45Å; L421-T425 PolarHBondContact O-N 3.45Å; V422-T425 VanDerWaalsContact CA-OG1 3.27Å; V422-T425 WeakPolarHBondContact CA-OG1 3.32Å; V422-T425 PolarHBondContact O-OG1 2.7Å; T425-L429 WeakPolarHBondContact O-CB 3.19Å; T425-L429 VanDerWaalsContact O-CD1 3.23Å; T425-L429 WeakPolarHBondContact O-CD1 3.03Å; T425-L429 WeakPolarHBondContact O-CG 3.42Å; T425-L429 PolarHBondContact O-N 2.6Å |
| 426 | R | 41.8 | Very low | 37.2 | Very low | 73 Ų | 73 | 80 Ų | 80 | 28% | 0.275 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66 | -57.9 | 166 | -73.5 | 167.7 | 177.1 | 153.5 | 1.9 | 113.4 | V422 G423 C424 F428 L429 Q430 I442 | V422-R426 HydrophobicContact CG1-CG 4.48Å; V422-R426 VanDerWaalsContact O-CB 3.23Å; V422-R426 WeakPolarHBondContact O-CB 3.33Å; V422-R426 WeakPolarHBondContact O-CD 3.12Å; V422-R426 WeakPolarHBondContact O-CG 3.42Å; V422-R426 PolarHBondContact O-N 2.92Å; G423-R426 WeakPolarHBondContact O-CB 3.3Å; G423-R426 PolarHBondContact O-N 3.24Å; C424-R426 PolarHBondContact O-N 2.99Å; R426-F428 PolarHBondContact O-N 3.3Å; R426-L429 PolarHBondContact O-N 2.95Å; R426-Q430 PolarHBondContact O-N 3.44Å; R426-I442 HydrophobicContact CG-CG2 4.1Å |
| 427 | I | 44.3 | Very low | 36.9 | Very low | 39 Ų | 39 | 80.7 Ų | 80.7 | 20% | 0.2 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63 | -38.2 | -175.2 | -64.3 | 156.9 | 0 | 0 | 0 | 113 | G423 C424 V1796 Q1800 | G423-I427 WeakPolarHBondContact O-CD1 3.3Å; G423-I427 VanDerWaalsContact O-CG1 3.26Å; G423-I427 WeakPolarHBondContact O-CG1 3.3Å; G423-I427 PolarHBondContact O-N 3.43Å; C424-I427 PolarHBondContact O-N 3.39Å; I427-V1796 HydrophobicContact CD1-CG1 4.23Å; I427-Q1800 HydrophobicContact CD1-CB 3.78Å; I427-Q1800 HydrophobicContact CD1-CG 3.69Å |
| 428 | F | 35.9 | Very low | 36.5 | Very low | 148 Ų | 148 | 80.6 Ų | 80.6 | 65% | 0.649 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -74.9 | -35.3 | -178.2 | -154.5 | -89.4 | 0 | 0 | 0 | 111 | C424 R426 K431 | C424-F428 WeakPolarHBondContact O-CA 3.43Å; C424-F428 WeakPolarHBondContact O-CB 3.46Å; C424-F428 PolarHBondContact O-N 3.32Å; R426-F428 PolarHBondContact O-N 3.3Å; F428-K431 PolarHBondContact O-N 3.49Å |
| 429 | L | 37.1 | Very low | 36.5 | Very low | 64 Ų | 64 | 85.2 Ų | 85.2 | 34% | 0.335 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -73.7 | -30.9 | 172.3 | -68.8 | 173.4 | 0 | 0 | 0 | 112.7 | T425 R426 K431 K432 I442 | T425-L429 WeakPolarHBondContact O-CB 3.19Å; T425-L429 VanDerWaalsContact O-CD1 3.23Å; T425-L429 WeakPolarHBondContact O-CD1 3.03Å; T425-L429 WeakPolarHBondContact O-CG 3.42Å; T425-L429 PolarHBondContact O-N 2.6Å; R426-L429 PolarHBondContact O-N 2.95Å; L429-K431 PolarHBondContact O-N 2.78Å; L429-K431 VanDerWaalsContact O-N 3.13Å; L429-K432 PolarHBondContact O-N 2.85Å; L429-I442 HydrophobicContact CD1-CD1 3.31Å |
| 430 | Q | 38.3 | Very low | 36.3 | Very low | 156 Ų | 156 | 92.9 Ų | 92.9 | 73% | 0.729 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.1 | 169.9 | -82.1 | -176.2 | -30.7 | 0 | 0 | 113.7 | R426 | R426-Q430 PolarHBondContact O-N 3.44Š|
| 431 | K | 38.1 | Very low | 36.1 | Very low | 172 Ų | 172 | 94.9 Ų | 94.9 | 75% | 0.748 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -3.3 | 177.2 | -72.8 | -164.6 | 171.6 | -168.5 | 0 | 115.4 | F428 L429 | F428-K431 PolarHBondContact O-N 3.49Å; L429-K431 PolarHBondContact O-N 2.78Å; L429-K431 VanDerWaalsContact O-N 3.13Å |
| 432 | K | 30.4 | Very low | 36.1 | Very low | 150 Ų | 150 | 94 Ų | 94 | 65% | 0.652 | 47% | 0.474 | S | S | * | . | trans | -108 | 80.9 | 170.5 | -90.4 | -167.8 | 172.3 | -173.5 | 0 | 110.6 | L429 N434 | L429-K432 PolarHBondContact O-N 2.85Å; K432-N434 VanDerWaalsContact C-N 3.29Å; K432-N434 PolarHBondContact O-N 3.41Å | ||
| 433 | L | 27.4 | Very low | 35.9 | Very low | 159 Ų | 159 | 99.6 Ų | 99.6 | 83% | 0.832 | 50% | 0.503 | S | S | * | . | trans | -70.6 | 85 | 165.3 | -83 | 165.4 | 0 | 0 | 0 | 110.2 | ||||
| 434 | N | 27.6 | Very low | 35.6 | Very low | 141 Ų | 141 | 109.6 Ų | 109.6 | 75% | 0.754 | 54% | 0.538 | S | S | * | . | S | Bend | 174.8 | 132.3 | 127.5 | -85.9 | -33.3 | 0 | 0 | 0 | 112.8 | K432 | K432-N434 VanDerWaalsContact C-N 3.29Å; K432-N434 PolarHBondContact O-N 3.41Å | |
| 435 | S | 27.1 | Very low | 35.3 | Very low | 111 Ų | 111 | 111.4 Ų | 111.4 | 78% | 0.776 | 55% | 0.546 | S | S | * | . | trans | 44.9 | 80.4 | 156.6 | 63.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 436 | H | 32.4 | Very low | 35.2 | Very low | 105 Ų | 105 | 112.6 Ų | 112.6 | 49% | 0.486 | 55% | 0.554 | S | S | . | * | trans | -135.5 | 146.1 | 156.5 | -107.8 | -113.3 | 0 | 0 | 0 | 112.3 | E18 F438 | E18-H436 IonicContact OE1-CE1 3.71Å; E18-H436 IonicContact OE1-CG 2.72Å; E18-H436 IonicContact OE1-ND1 3.95Å; E18-H436 PolarHBondContact OE1-ND1 3.38Å; E18-H436 IonicContact OE2-CE1 2.72Å; E18-H436 PolarHBondContact OE2-CE1 2.81Å; E18-H436 IonicContact OE2-CG 2.95Å; E18-H436 IonicContact OE2-ND1 2.72Å; E18-H436 PolarHBondContact OE2-ND1 2.89Å; E18-H436 VanDerWaalsContact OE2-ND1 3.1Å; E18-H436 IonicContact OE2-NE2 2.69Å; H436-F438 VanDerWaalsContact C-N 3.26Å; H436-F438 PolarHBondContact O-N 3.42Å | ||
| 437 | P | 33.4 | Very low | 35.4 | Very low | 107 Ų | 107 | 116.1 Ų | 116.1 | 70% | 0.695 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -14.4 | -169.9 | -19.6 | 33.6 | 0 | 0 | 0 | 115.4 | L439 | P437-L439 VanDerWaalsContact C-N 3.27Å; P437-L439 PolarHBondContact O-N 3.33Å |
| 438 | F | 32 | Very low | 35 | Very low | 49 Ų | 49 | 118.5 Ų | 118.5 | 22% | 0.215 | 59% | 0.587 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -68.5 | -18.5 | -165.2 | -122.2 | -85.4 | 0 | 0 | 0 | 115.4 | Y17 E18 N20 H436 K440 I441 | Y17-F438 WeakPolarHBondContact O-CE2 3.19Å; Y17-F438 WeakPolarHBondContact O-CZ 3.48Å; E18-F438 HydrophobicContact CB-CD2 4.27Å; E18-F438 HydrophobicContact CG-CD2 4.34Å; E18-F438 WeakPolarHBondContact O-CE2 3.42Å; N20-F438 VanDerWaalsContact CG-CE2 3.48Å; N20-F438 VanDerWaalsContact ND2-CD2 3.34Å; N20-F438 WeakPolarHBondContact ND2-CD2 3.49Å; N20-F438 WeakPolarHBondContact ND2-CE2 3.47Å; N20-F438 WeakPolarHBondContact OD1-CZ 3.24Å; H436-F438 VanDerWaalsContact C-N 3.26Å; H436-F438 PolarHBondContact O-N 3.42Å; F438-K440 VanDerWaalsContact C-N 3.26Å; F438-K440 PolarHBondContact O-N 2.92Å; F438-I441 HydrophobicContact CD1-CD1 4.33Å; F438-I441 HydrophobicContact CE1-CD1 4.05Å; F438-I441 HydrophobicContact CZ-CD1 4.45Å; F438-I441 PolarHBondContact O-N 3Å; F438-I441 VanDerWaalsContact O-N 3.15Å |
| 439 | L | 35.6 | Very low | 34.9 | Very low | 103 Ų | 103 | 112.1 Ų | 112.1 | 54% | 0.539 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -57 | -35.9 | -175.6 | -68.1 | 169.6 | 0 | 0 | 0 | 113.1 | P437 I441 I442 | P437-L439 VanDerWaalsContact C-N 3.27Å; P437-L439 PolarHBondContact O-N 3.33Å; L439-I441 PolarHBondContact O-N 3.12Å; L439-I441 VanDerWaalsContact O-N 3.08Å; L439-I442 WeakPolarHBondContact O-CB 3.46Å; L439-I442 PolarHBondContact O-N 2.98Å |
| 440 | K | 36.5 | Very low | 34.5 | Very low | 175 Ų | 175 | 115 Ų | 115 | 76% | 0.761 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.8 | -11.9 | -179 | -74.4 | -172.7 | 174.1 | -178.1 | 0 | 115.4 | F438 | F438-K440 VanDerWaalsContact C-N 3.26Å; F438-K440 PolarHBondContact O-N 2.92Å |
| 441 | I | 38.3 | Very low | 34.1 | Very low | 87 Ų | 87 | 110.5 Ų | 110.5 | 45% | 0.446 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -88.4 | -29 | 174 | -61.6 | 177 | 0 | 0 | 0 | 110.6 | F438 L439 D443 R444 | F438-I441 HydrophobicContact CD1-CD1 4.33Å; F438-I441 HydrophobicContact CE1-CD1 4.05Å; F438-I441 HydrophobicContact CZ-CD1 4.45Å; F438-I441 PolarHBondContact O-N 3Å; F438-I441 VanDerWaalsContact O-N 3.15Å; L439-I441 PolarHBondContact O-N 3.12Å; L439-I441 VanDerWaalsContact O-N 3.08Å; I441-D443 VanDerWaalsContact C-N 3.35Å; I441-D443 PolarHBondContact O-N 3.36Å; I441-R444 PolarHBondContact O-N 3.07Å; I441-R444 VanDerWaalsContact O-N 3.1Å |
| 442 | I | 38.6 | Very low | 33.7 | Very low | 25 Ų | 25 | 104.5 Ų | 104.5 | 13% | 0.128 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -71.6 | -32.3 | -177.9 | -60.8 | 177.7 | 0 | 0 | 0 | 111.2 | R426 L429 L439 R444 L445 | R426-I442 HydrophobicContact CG-CG2 4.1Å; L429-I442 HydrophobicContact CD1-CD1 3.31Å; L439-I442 WeakPolarHBondContact O-CB 3.46Å; L439-I442 PolarHBondContact O-N 2.98Å; I442-R444 PolarHBondContact O-N 3.3Å; I442-L445 PolarHBondContact O-N 2.91Å |
| 443 | D | 36.6 | Very low | 33.4 | Very low | 135 Ų | 135 | 102 Ų | 102 | 72% | 0.722 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -12.9 | 171.7 | -58.5 | -32.5 | 0 | 0 | 0 | 113.4 | I441 | I441-D443 VanDerWaalsContact C-N 3.35Å; I441-D443 PolarHBondContact O-N 3.36Å |
| 444 | R | 35.6 | Very low | 33.3 | Very low | 219 Ų | 219 | 99.9 Ų | 99.9 | 83% | 0.826 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 3.3 | 177.7 | -65.8 | -166.9 | 173.5 | -147.4 | -2.9 | 114.1 | I441 I442 P446 | I441-R444 PolarHBondContact O-N 3.07Å; I441-R444 VanDerWaalsContact O-N 3.1Å; I442-R444 PolarHBondContact O-N 3.3Å; R444-P446 WeakPolarHBondContact O-CD 3.46Å |
| 445 | L | 35.2 | Very low | 33.1 | Very low | 60 Ų | 60 | 97.8 Ų | 97.8 | 31% | 0.314 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -87 | 114.4 | 170.8 | -77.7 | 165.9 | 0 | 0 | 0 | 110 | V422 I442 H447 | V422-L445 HydrophobicContact CG1-CD1 4.06Å; V422-L445 HydrophobicContact CG2-CD1 4.09Å; I442-L445 PolarHBondContact O-N 2.91Å; L445-H447 PolarHBondContact O-N 3.29Å |
| 446 | P | 36.7 | Very low | 33 | Very low | 86 Ų | 86 | 98.1 Ų | 98.1 | 56% | 0.558 | 53% | 0.534 | S | S | * | . | trans | -51.3 | 138 | 175.3 | -27.2 | 33.7 | 0 | 0 | 0 | 111.4 | R444 N448 K1789 | R444-P446 WeakPolarHBondContact O-CD 3.46Å; P446-N448 PolarHBondContact O-N 2.95Å; P446-N448 VanDerWaalsContact O-N 3.11Å; P446-K1789 PolarHBondContact O-NZ 3.44Å | ||
| 447 | H | 45.7 | Very low | 32.6 | Very low | 148 Ų | 148 | 98 Ų | 98 | 69% | 0.685 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -57.1 | -34.1 | -167.8 | -76.8 | -88.2 | 0 | 0 | 0 | 114.3 | L445 | L445-H447 PolarHBondContact O-N 3.29Š|
| 448 | N | 36.3 | Very low | 32.2 | Very low | 89 Ų | 89 | 99.3 Ų | 99.3 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -133.2 | -172.3 | 174.3 | -79.7 | -31.5 | 0 | 0 | 0 | 111.1 | N419 P446 K1789 | N419-N448 WeakPolarHBondContact OD1-CA 3.41Å; N419-N448 WeakPolarHBondContact OD1-CB 3.33Å; P446-N448 PolarHBondContact O-N 2.95Å; P446-N448 VanDerWaalsContact O-N 3.11Å; N448-K1789 PolarHBondContact O-NZ 3.35Å |
| 449 | V | 34.2 | Very low | 31.7 | Very low | 13 Ų | 13 | 101.8 Ų | 101.8 | 8% | 0.079 | 56% | 0.558 | C | S | . | * | trans | -126.7 | 134.4 | 170.2 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | N419 G451 N1786 K1789 | N419-V449 PolarHBondContact OD1-N 3.43Å; V449-G451 PolarHBondContact O-N 3.02Å; V449-N1786 HydrophobicContact CG1-CB 4.46Å; V449-K1789 HydrophobicContact CG2-CB 3.57Å; V449-K1789 HydrophobicContact CG2-CD 3.57Å; V449-K1789 HydrophobicContact CG2-CG 3.35Å; V449-K1789 VanDerWaalsContact CG2-NZ 3.27Å; V449-K1789 WeakPolarHBondContact CG2-O 3.47Å | ||
| 450 | P | 28.2 | Very low | 31.2 | Very low | 125 Ų | 125 | 102.3 Ų | 102.3 | 81% | 0.812 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 132.3 | 174.9 | -15.8 | 30 | 0 | 0 | 0 | 111.5 | ||
| 451 | G | 29.5 | Very low | 30.6 | Very low | 61 Ų | 61 | 100.2 Ų | 100.2 | 63% | 0.629 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 147.8 | -12.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | V449 | V449-G451 PolarHBondContact O-N 3.02Š|
| 452 | A | 30 | Very low | 29.9 | Very low | 46 Ų | 46 | 102.8 Ų | 102.8 | 38% | 0.38 | 58% | 0.577 | S | S | . | * | trans | -99.4 | 113.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | V454 | A452-V454 VanDerWaalsContact C-N 3.26Å; A452-V454 PolarHBondContact O-N 3.33Å | ||
| 453 | T | 24.4 | Very low | 29.1 | Very low | 98 Ų | 98 | 108 Ų | 108 | 60% | 0.601 | 61% | 0.61 | S | S | * | * | trans | -82.8 | 69.5 | 174.9 | 42.5 | 0 | 0 | 0 | 0 | 111.5 | G1404 | T453-G1404 VanDerWaalsContact CB-O 3.3Å; T453-G1404 WeakPolarHBondContact CB-O 3.37Å | ||
| 454 | V | 26.2 | Very low | 28.6 | Very low | 114 Ų | 114 | 106 Ų | 106 | 69% | 0.691 | 61% | 0.606 | S | S | * | * | trans | -135.4 | 110 | 155.6 | 178.9 | 0 | 0 | 0 | 0 | 106.6 | A452 V456 | A452-V454 VanDerWaalsContact C-N 3.26Å; A452-V454 PolarHBondContact O-N 3.33Å; V454-V456 PolarHBondContact O-N 3.33Å | ||
| 455 | E | 22.9 | Very low | 27.9 | Very low | 97 Ų | 97 | 105 Ų | 105 | 45% | 0.453 | 61% | 0.608 | S | S | . | * | trans | -73.4 | 112.9 | 173.8 | -74.6 | 146.6 | 116.3 | 0 | 0 | 109.7 | L1402 H1403 | E455-L1402 HydrophobicContact CB-CB 3.67Å; E455-L1402 VanDerWaalsContact CD-CB 3.41Å; E455-L1402 HydrophobicContact CG-CB 4.11Å; E455-L1402 WeakPolarHBondContact OE2-CB 3.29Å; E455-H1403 PolarHBondContact OE2-N 3.27Å | ||
| 456 | V | 24.7 | Very low | 27.5 | Very low | 118 Ų | 118 | 103.4 Ų | 103.4 | 72% | 0.715 | 61% | 0.606 | S | S | * | * | trans | -100.9 | 100.1 | 155 | 177.5 | 0 | 0 | 0 | 0 | 105.8 | V454 L458 | V454-V456 PolarHBondContact O-N 3.33Å; V456-L458 PolarHBondContact O-N 2.9Å; V456-L458 VanDerWaalsContact O-N 3.11Å | ||
| 457 | E | 24.4 | Very low | 26.9 | Very low | 103 Ų | 103 | 101.4 Ų | 101.4 | 48% | 0.481 | 59% | 0.59 | S | S | . | * | trans | -67.9 | 105.2 | 178.3 | -170.5 | 166.5 | -135.5 | 0 | 0 | 109.1 | S459 Y1400 | E457-S459 PolarHBondContact O-N 3.36Å; E457-S459 VanDerWaalsContact O-N 3.11Å; E457-Y1400 WeakPolarHBondContact OE2-CB 3.26Å | ||
| 458 | L | 24.7 | Very low | 25.9 | Very low | 134 Ų | 134 | 97.7 Ų | 97.7 | 70% | 0.702 | 59% | 0.586 | S | S | * | * | trans | -78.3 | 93.2 | 175 | -91.6 | 170.3 | 0 | 0 | 0 | 109.3 | V456 V460 | V456-L458 PolarHBondContact O-N 2.9Å; V456-L458 VanDerWaalsContact O-N 3.11Å; L458-V460 HydrophobicContact CB-CG2 4.47Å; L458-V460 HydrophobicContact CD2-CG2 4.22Å; L458-V460 PolarHBondContact O-N 2.65Å | ||
| 459 | S | 21.5 | Very low | 25.3 | Very low | 102 Ų | 102 | 97.3 Ų | 97.3 | 71% | 0.713 | 59% | 0.59 | S | S | * | * | trans | -68.2 | 70.7 | 164.6 | 63.4 | 0 | 0 | 0 | 0 | 110.7 | E457 | E457-S459 PolarHBondContact O-N 3.36Å; E457-S459 VanDerWaalsContact O-N 3.11Å | ||
| 460 | V | 25.4 | Very low | 24.9 | Very low | 114 Ų | 114 | 101.1 Ų | 101.1 | 69% | 0.691 | 62% | 0.617 | S | S | * | * | trans | -101.7 | 71.1 | 163.7 | -174.6 | 0 | 0 | 0 | 0 | 107.3 | L458 N462 | L458-V460 HydrophobicContact CB-CG2 4.47Å; L458-V460 HydrophobicContact CD2-CG2 4.22Å; L458-V460 PolarHBondContact O-N 2.65Å; V460-N462 PolarHBondContact O-N 2.54Å | ||
| 461 | D | 22.8 | Very low | 24.8 | Very low | 131 Ų | 131 | 99.8 Ų | 99.8 | 70% | 0.701 | 61% | 0.611 | S | S | * | * | trans | -66.1 | 116.3 | 164.3 | -104.4 | -54.6 | 0 | 0 | 0 | 109 | V463 | D461-V463 PolarHBondContact O-N 3.06Š| ||
| 462 | N | 23.6 | Very low | 24.6 | Very low | 141 Ų | 141 | 103.3 Ų | 103.3 | 75% | 0.754 | 62% | 0.615 | S | S | * | * | trans | 47.1 | 64.5 | 142.8 | -62.7 | -59.7 | 0 | 0 | 0 | 117.7 | V460 | V460-N462 PolarHBondContact O-N 2.54Š| ||
| 463 | V | 23.5 | Very low | 24.5 | Very low | 135 Ų | 135 | 105.8 Ų | 105.8 | 82% | 0.818 | 63% | 0.626 | S | S | * | * | trans | -103 | 99.6 | 141.7 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | D461 | D461-V463 PolarHBondContact O-N 3.06Š| ||
| 464 | S | 24.5 | Very low | 24.4 | Very low | 93 Ų | 93 | 105.8 Ų | 105.8 | 65% | 0.65 | 62% | 0.622 | S | S | * | * | trans | -60 | 141 | 168 | 50.7 | 0 | 0 | 0 | 0 | 110.7 | G466 | S464-G466 PolarHBondContact O-N 3.1Š| ||
| 465 | F | 22.7 | Very low | 24.5 | Very low | 197 Ų | 197 | 108.5 Ų | 108.5 | 86% | 0.864 | 63% | 0.631 | S | S | * | * | trans | -65 | 87.9 | 157.6 | -94.5 | -99.2 | 0 | 0 | 0 | 109.1 | ||||
| 466 | G | 26.4 | Very low | 24.4 | Very low | 26 Ų | 26 | 109 Ų | 109 | 27% | 0.268 | 65% | 0.645 | S | S | . | * | trans | -80.3 | 114.8 | 145.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | S464 | S464-G466 PolarHBondContact O-N 3.1Š| ||
| 467 | D | 23.7 | Very low | 24.4 | Very low | 44 Ų | 44 | 107.8 Ų | 107.8 | 24% | 0.235 | 65% | 0.648 | C | S | . | * | trans | -58.8 | 173 | 178.8 | -48.8 | -85.4 | 0 | 0 | 0 | 113.2 | V557 Y558 | D467-V557 HydrophobicContact CB-CB 4.42Å; D467-V557 HydrophobicContact CB-CG1 4.18Å; D467-V557 WeakPolarHBondContact OD2-CA 3.21Å; D467-V557 PolarHBondContact OD2-N 3.35Å; D467-Y558 CarbonylContact C-O 3.51Å; D467-Y558 CarbonylContact O-C 3.58Å; D467-Y558 WeakPolarHBondContact O-CB 3.17Å; D467-Y558 PolarHBondContact OD2-N 2.91Å | ||
| 468 | A | 24.6 | Very low | 24.3 | Very low | 71 Ų | 71 | 109 Ų | 109 | 59% | 0.587 | 66% | 0.662 | S | S | * | * | trans | -150.6 | 94.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y558 L559 | A468-Y558 WeakPolarHBondContact CA-O 3.27Å; A468-Y558 PolarHBondContact N-O 3.43Å; A468-L559 HydrophobicContact CB-CD2 3.72Å; A468-L559 HydrophobicContact CB-CG 3.97Å | ||
| 469 | S | 24.4 | Very low | 24.1 | Very low | 81 Ų | 81 | 110.8 Ų | 110.8 | 57% | 0.566 | 67% | 0.671 | S | S | * | * | trans | -137.2 | 113.4 | 175.7 | 135.7 | 0 | 0 | 0 | 0 | 115.4 | Y558 | S469-Y558 PolarHBondContact N-O 3.03Š| ||
| 470 | S | 25.4 | Very low | 24.2 | Very low | 92 Ų | 92 | 111.8 Ų | 111.8 | 64% | 0.643 | 67% | 0.673 | S | S | * | * | trans | -172.5 | 136.3 | 147.3 | 66.1 | 0 | 0 | 0 | 0 | 108.3 | L559 | S470-L559 VanDerWaalsContact OG-CD1 3.24Å; S470-L559 WeakPolarHBondContact OG-CD1 3.14Å | ||
| 471 | S | 24.9 | Very low | 24 | Very low | 98 Ų | 98 | 113 Ų | 113 | 69% | 0.685 | 68% | 0.676 | S | S | * | * | cis | -155.5 | 142.8 | -13.6 | 47.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 472 | D | 25.3 | Very low | 24 | Very low | 134 Ų | 134 | 113.5 Ų | 113.5 | 72% | 0.717 | 68% | 0.677 | S | S | * | * | 176.6 | 159 | 75.7 | -108.6 | -36.6 | 0 | 0 | 0 | 108.6 | |||||
| 473 | T | 27.6 | Very low | 24.1 | Very low | 98 Ų | 98 | 112 Ų | 112 | 60% | 0.601 | 68% | 0.677 | S | S | * | * | cis | -142.5 | 134.2 | 2.5 | 26 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 474 | N | 23.6 | Very low | 24.1 | Very low | 98 Ų | 98 | 113.7 Ų | 113.7 | 52% | 0.524 | 68% | 0.676 | S | S | . | * | trans | 28.8 | 106.8 | 139.8 | -62.7 | -82 | 0 | 0 | 0 | 121.7 | R497 | N474-R497 VanDerWaalsContact CB-NH2 3.25Š| ||
| 475 | I | 27.5 | Very low | 24.1 | Very low | 171 Ų | 171 | 115 Ų | 115 | 88% | 0.877 | 68% | 0.676 | S | S | * | * | -145.5 | 139 | 121.6 | -99.5 | 158.9 | 0 | 0 | 0 | 108.6 | |||||
| 476 | S | 21.3 | Very low | 24.3 | Very low | 107 Ų | 107 | 112.3 Ų | 112.3 | 75% | 0.748 | 67% | 0.67 | S | S | * | * | trans | -146.1 | 128 | -173.5 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 477 | A | 23.5 | Very low | 24.4 | Very low | 94 Ų | 94 | 116.1 Ų | 116.1 | 78% | 0.777 | 69% | 0.689 | S | S | * | * | trans | -167.2 | 104 | 156.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 478 | V | 23.9 | Very low | 24.7 | Very low | 127 Ų | 127 | 119.7 Ų | 119.7 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | 73.8 | 108.5 | 74 | 174.8 | 0 | 0 | 0 | 0 | 112.4 | V480 | V478-V480 HydrophobicContact CG1-CG2 3.77Š| |||
| 479 | L | 20.8 | Very low | 24.9 | Very low | 172 Ų | 172 | 124.7 Ų | 124.7 | 90% | 0.901 | 72% | 0.721 | S | S | * | * | trans | -86.6 | 124.5 | 156.6 | -111.4 | 166.4 | 0 | 0 | 0 | 107.4 | ||||
| 480 | V | 23.5 | Very low | 25.1 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | trans | -128.7 | 134.6 | 158.9 | 167.2 | 0 | 0 | 0 | 0 | 106.4 | V478 | V478-V480 HydrophobicContact CG1-CG2 3.77Š| ||
| 481 | D | 20.9 | Very low | 25 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | trans | -88.4 | 162.7 | 178.6 | -158.4 | -9.2 | 0 | 0 | 0 | 110.5 | ||||
| 482 | I | 22.3 | Very low | 25.3 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 72% | 0.723 | 74% | 0.743 | S | S | * | * | trans | 78.1 | 142.1 | 168.6 | -51.7 | 165.8 | 0 | 0 | 0 | 117.3 | ||||
| 483 | S | 25 | Very low | 25.2 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | 70.5 | 86.8 | 165.4 | 49.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 484 | E | 24.1 | Very low | 25.1 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -8.1 | 138.3 | 133 | -65.4 | -171.3 | 144.3 | 0 | 0 | 119.4 | ||||
| 485 | N | 25.3 | Very low | 25.5 | Very low | 121 Ų | 121 | 141 Ų | 141 | 65% | 0.647 | 77% | 0.768 | S | S | * | * | trans | 76.5 | 116.9 | 137.7 | -68.1 | -30.6 | 0 | 0 | 0 | 121.6 | ||||
| 486 | N | 26.4 | Very low | 25.4 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | 80.2 | 133.7 | 142.9 | -59.4 | -25.4 | 0 | 0 | 0 | 118.3 | ||||
| 487 | T | 28.3 | Very low | 25.6 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | cis | -164 | 145.6 | 0.5 | 6.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 488 | T | 29.3 | Very low | 25.7 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | trans | 64.8 | 150.1 | 151 | 60.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 489 | K | 29.6 | Very low | 25.8 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | cis | -159.8 | 148.4 | -2.1 | -124.2 | 170 | -176.3 | -178.6 | 0 | 112.7 | ||||
| 490 | T | 28.1 | Very low | 25.9 | Very low | 112 Ų | 112 | 142 Ų | 142 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | trans | 48.3 | 114.8 | 147.3 | 50.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 491 | L | 23.5 | Very low | 26.1 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | 50.5 | 110.6 | 122.7 | -71.8 | 160.3 | 0 | 0 | 0 | 120.3 | |||||
| 492 | T | 30.6 | Very low | 26.7 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 87% | 0.865 | 75% | 0.751 | S | S | * | * | -152.4 | 147 | 102.2 | 13.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 493 | R | 24.7 | Very low | 27.1 | Very low | 221 Ų | 221 | 141.6 Ų | 141.6 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | trans | -78.4 | 162.1 | 157 | -73 | 177.5 | 171.4 | 159.1 | -3.6 | 107 | ||||
| 494 | E | 25.9 | Very low | 27.1 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | cis | -170.4 | 178.6 | 47.8 | -151.7 | 158 | -113 | 0 | 0 | 112.9 | ||||
| 495 | I | 30.9 | Very low | 27.5 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | 72.3 | 100.5 | 164.4 | -54 | 174.5 | 0 | 0 | 0 | 118.7 | ||||
| 496 | K | 25.9 | Very low | 27.5 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | 5.2 | 127 | 141.3 | -63.7 | 172.9 | -178.7 | 177.9 | 0 | 117.8 | ||||
| 497 | R | 25.6 | Very low | 27.7 | Very low | 168 Ų | 168 | 142 Ų | 142 | 63% | 0.634 | 74% | 0.742 | S | S | * | * | 49.1 | 122.4 | 90.5 | -63.6 | -174.6 | -175.5 | 165.9 | 4 | 112.4 | N474 | N474-R497 VanDerWaalsContact CB-NH2 3.25Š| |||
| 498 | S | 24.4 | Very low | 27.7 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | cis | -158.7 | 178.7 | 46.8 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 499 | N | 26 | Very low | 27.7 | Very low | 142 Ų | 142 | 152.5 Ų | 152.5 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | cis | -154.6 | 167.7 | 3.3 | -135.1 | 7.6 | 0 | 0 | 0 | 111.6 | ||||
| 500 | S | 23.8 | Very low | 27.5 | Very low | 91 Ų | 91 | 148.5 Ų | 148.5 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | trans | 59.9 | 135.4 | 152.9 | 61.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 501 | N | 26.7 | Very low | 27.5 | Very low | 156 Ų | 156 | 154.4 Ų | 154.4 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | 74 | 88.1 | 143.4 | -57.3 | -0.6 | 0 | 0 | 0 | 121.3 | ||||
| 502 | T | 34 | Very low | 27.6 | Very low | 131 Ų | 131 | 151.8 Ų | 151.8 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -55.8 | 168.2 | 134.3 | 35.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 503 | P | 31.1 | Very low | 27.3 | Very low | 109 Ų | 109 | 152 Ų | 152 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | cis | -151.7 | 159.8 | 35.7 | 42.3 | -20.6 | 0 | 0 | 0 | 121.9 | ||||
| 504 | S | 25.1 | Very low | 27.3 | Very low | 100 Ų | 100 | 149 Ų | 149 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | trans | 72.4 | 166.1 | 144.2 | 81.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 505 | P | 33.2 | Very low | 27.3 | Very low | 85 Ų | 85 | 151.8 Ų | 151.8 | 55% | 0.552 | 75% | 0.754 | S | S | * | * | cis | -130.2 | 152.8 | -9.4 | 37.5 | -23 | 0 | 0 | 0 | 115.6 | ||||
| 506 | Q | 25.5 | Very low | 27.1 | Very low | 171 Ų | 171 | 151.2 Ų | 151.2 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | trans | -169.3 | 145.8 | 142.8 | -121 | -171.3 | 64.6 | 0 | 0 | 116.9 | ||||
| 507 | R | 28.6 | Very low | 27.1 | Very low | 193 Ų | 193 | 150 Ų | 150 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | trans | 85.9 | 112.7 | 156.9 | -68.1 | -179.3 | 175.6 | -162.9 | -3 | 122.1 | ||||
| 508 | R | 30.2 | Very low | 27.1 | Very low | 209 Ų | 209 | 149.2 Ų | 149.2 | 79% | 0.789 | 76% | 0.756 | S | S | * | * | trans | 75.2 | 112.6 | 142.6 | -62.9 | 175.1 | 178 | -173.4 | -2.4 | 116.7 | ||||
| 509 | R | 27.4 | Very low | 27.2 | Very low | 236 Ų | 236 | 147.4 Ų | 147.4 | 89% | 0.891 | 75% | 0.754 | S | S | * | * | 73.8 | 133.2 | 71.2 | -77.1 | -173.4 | -179.7 | -178 | 0.1 | 113.4 | |||||
| 510 | S | 25.3 | Very low | 27.3 | Very low | 93 Ų | 93 | 149.4 Ų | 149.4 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | cis | -179.5 | 161.3 | -5.2 | 50.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 511 | R | 28.3 | Very low | 27.4 | Very low | 235 Ų | 235 | 154.4 Ų | 154.4 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | trans | 93.9 | 143.1 | 163.5 | -62.4 | -178.2 | 177.5 | 174.9 | -1.5 | 116.7 | ||||
| 512 | S | 27.1 | Very low | 27.4 | Very low | 100 Ų | 100 | 151.8 Ų | 151.8 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | cis | -168.2 | 136.1 | -17 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 513 | L | 23.2 | Very low | 27.1 | Very low | 145 Ų | 145 | 153.8 Ų | 153.8 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | -64.2 | 155.1 | 153.7 | -91.1 | 166.1 | 0 | 0 | 0 | 111.2 | ||||
| 514 | N | 25.7 | Very low | 26.7 | Very low | 159 Ų | 159 | 153.2 Ų | 153.2 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | trans | -144.5 | 93.1 | 146.6 | -115 | -12.6 | 0 | 0 | 0 | 109.2 | ||||
| 515 | R | 25.6 | Very low | 26.7 | Very low | 225 Ų | 225 | 152.3 Ų | 152.3 | 85% | 0.849 | 74% | 0.739 | S | S | * | * | trans | -106.8 | 127.9 | 163.1 | -89.3 | -174.9 | 173.3 | 172.6 | -2 | 107.9 | ||||
| 516 | L | 26 | Very low | 26.2 | Very low | 135 Ų | 135 | 156.3 Ų | 156.3 | 71% | 0.707 | 75% | 0.749 | S | S | * | * | trans | -143.7 | 140.9 | 164.8 | -72 | 176 | 0 | 0 | 0 | 106.3 | ||||
| 517 | F | 26.3 | Very low | 26.2 | Very low | 158 Ų | 158 | 152 Ų | 152 | 69% | 0.693 | 74% | 0.739 | S | S | * | * | cis | -137 | 155.6 | 13.6 | -91.8 | -77 | 0 | 0 | 0 | 112.6 | ||||
| 518 | N | 25.8 | Very low | 25.9 | Very low | 152 Ų | 152 | 152.2 Ų | 152.2 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | trans | 48.1 | 146.8 | 147 | -57 | -18.9 | 0 | 0 | 0 | 120.2 | ||||
| 519 | G | 26.6 | Very low | 25.6 | Very low | 71 Ų | 71 | 148 Ų | 148 | 73% | 0.732 | 73% | 0.732 | S | S | * | * | cis | 161.9 | 160.8 | 3.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 520 | K | 27.6 | Very low | 25.4 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | cis | -159.7 | 150 | 19.4 | -83.2 | -175.6 | 177.1 | 177.7 | 0 | 110.2 | ||||
| 521 | Y | 27 | Very low | 25.3 | Very low | 196 Ų | 196 | 144.7 Ų | 144.7 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | trans | 58.8 | 149.9 | 134.3 | -73.4 | -124.7 | 0 | 0 | 0 | 120.6 | ||||
| 522 | N | 25.7 | Very low | 25.2 | Very low | 101 Ų | 101 | 140 Ų | 140 | 54% | 0.54 | 71% | 0.714 | S | S | . | * | cis | -173.4 | 161.1 | -25.9 | -120.7 | 18 | 0 | 0 | 0 | 110.6 | ||||
| 523 | F | 26.9 | Very low | 25.3 | Very low | 173 Ų | 173 | 141 Ų | 141 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | trans | 63.7 | 133.8 | 167.2 | -53.9 | -57.7 | 0 | 0 | 0 | 115.9 | ||||
| 524 | S | 24.1 | Very low | 25.6 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | cis | 72.2 | 146.9 | 35.9 | 111.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 525 | S | 24.1 | Very low | 25.7 | Very low | 81 Ų | 81 | 137.1 Ų | 137.1 | 57% | 0.566 | 70% | 0.703 | S | S | * | * | cis | -177.9 | 161.3 | -2.8 | 35.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 526 | H | 24.2 | Very low | 25.8 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 78% | 0.778 | 69% | 0.693 | S | S | * | * | trans | 68.7 | 158.2 | 155.2 | -69 | -30.6 | 0 | 0 | 0 | 117 | ||||
| 527 | S | 23.8 | Very low | 25.8 | Very low | 82 Ų | 82 | 129.6 Ų | 129.6 | 57% | 0.573 | 70% | 0.7 | S | S | * | * | cis | -173.7 | 159.8 | -22.9 | 56 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 528 | R | 23.6 | Very low | 25.9 | Very low | 196 Ų | 196 | 128 Ų | 128 | 74% | 0.74 | 70% | 0.703 | S | S | * | * | trans | 83.5 | 143.7 | 132.8 | -94.3 | -179.9 | 160.7 | 98.7 | 9.4 | 122 | ||||
| 529 | D | 23 | Very low | 26 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 65% | 0.647 | 71% | 0.705 | S | S | * | * | trans | 68.1 | 142.8 | 137.9 | -60.1 | -10.7 | 0 | 0 | 0 | 119.7 | ||||
| 530 | T | 23.2 | Very low | 26.2 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 59% | 0.589 | 70% | 0.701 | S | S | * | * | cis | -171.5 | 169.2 | -10.7 | 28.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 531 | H | 23.8 | Very low | 26.2 | Very low | 164 Ų | 164 | 125.4 Ų | 125.4 | 76% | 0.759 | 69% | 0.694 | S | S | * | * | trans | 73.8 | 157.5 | 145 | -74.1 | -38.1 | 0 | 0 | 0 | 118.5 | ||||
| 532 | I | 25.3 | Very low | 26.2 | Very low | 135 Ų | 135 | 124 Ų | 124 | 69% | 0.692 | 70% | 0.699 | S | S | * | * | cis | -147.2 | 170.9 | 0.8 | -137.2 | 156.9 | 0 | 0 | 0 | 114.2 | ||||
| 533 | D | 30.8 | Very low | 26.2 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 66% | 0.658 | 71% | 0.711 | S | S | * | * | trans | 72.3 | 150.6 | 169 | -95.2 | 35.3 | 0 | 0 | 0 | 117.1 | ||||
| 534 | N | 28.9 | Very low | 26.3 | Very low | 136 Ų | 136 | 119.4 Ų | 119.4 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | cis | -162.5 | 174.4 | -23.1 | -133.1 | -22.4 | 0 | 0 | 0 | 107.4 | ||||
| 535 | A | 28.2 | Very low | 26.4 | Very low | 85 Ų | 85 | 124.2 Ų | 124.2 | 70% | 0.702 | 72% | 0.716 | S | S | * | * | cis | -153.4 | 177.1 | 0.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 536 | G | 27.1 | Very low | 26.5 | Very low | 62 Ų | 62 | 127 Ų | 127 | 64% | 0.639 | 72% | 0.724 | S | S | * | * | trans | 86.5 | 82.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 537 | V | 26.3 | Very low | 26.5 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 86% | 0.855 | 72% | 0.721 | S | S | * | * | 56.1 | 110.1 | 71.6 | -173.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 538 | V | 27.7 | Very low | 26.6 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | cis | -135.9 | 148.7 | 39.9 | 176.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 539 | N | 28.2 | Very low | 26.6 | Very low | 157 Ų | 157 | 122.8 Ų | 122.8 | 84% | 0.84 | 72% | 0.717 | S | S | * | * | trans | -131.4 | 138.5 | 153.8 | -125.7 | -22.2 | 0 | 0 | 0 | 106.8 | ||||
| 540 | P | 31.7 | Very low | 26.7 | Very low | 102 Ų | 102 | 123.4 Ų | 123.4 | 66% | 0.662 | 72% | 0.72 | S | S | * | * | -148.8 | 175.9 | 111.4 | 43.3 | -27.7 | 0 | 0 | 0 | 112.5 | |||||
| 541 | S | 26.8 | Very low | 26.9 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 66% | 0.657 | 73% | 0.726 | S | S | * | * | cis | -158 | 148.7 | 18.1 | -21.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 542 | L | 26.1 | Very low | 27 | Very low | 165 Ų | 165 | 124.7 Ų | 124.7 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | trans | 46.4 | 143.8 | 133.9 | -56.6 | 166.3 | 0 | 0 | 0 | 121.2 | ||||
| 543 | S | 26.2 | Very low | 27.1 | Very low | 112 Ų | 112 | 125 Ų | 125 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | cis | 176.2 | 157.6 | -19.5 | 52.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 544 | G | 29.5 | Very low | 26.8 | Very low | 67 Ų | 67 | 123.8 Ų | 123.8 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | cis | 141.8 | 152.3 | 1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 545 | K | 27 | Very low | 26.5 | Very low | 197 Ų | 197 | 124.6 Ų | 124.6 | 86% | 0.857 | 73% | 0.728 | S | S | * | * | trans | 81.6 | 145.6 | -179.9 | -53.3 | 171.3 | -176.5 | 173.6 | 0 | 115.1 | ||||
| 546 | N | 24.3 | Very low | 26.1 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | cis | -168.3 | 155.9 | -7.1 | -111.6 | -3.2 | 0 | 0 | 0 | 113.9 | ||||
| 547 | V | 25.5 | Very low | 26 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 70% | 0.697 | 72% | 0.721 | S | S | * | * | trans | 79.8 | 112.7 | 146 | 170.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 548 | K | 25.6 | Very low | 25.8 | Very low | 174 Ų | 174 | 129.4 Ų | 129.4 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | trans | 54.6 | 146 | 137.5 | -65.8 | -176.3 | -177.8 | -176.3 | 0 | 121.4 | ||||
| 549 | S | 24.3 | Very low | 25.5 | Very low | 69 Ų | 69 | 127.5 Ų | 127.5 | 48% | 0.483 | 69% | 0.693 | S | S | . | * | cis | -179.5 | 148.5 | 1 | 46.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 550 | N | 24.6 | Very low | 25.2 | Very low | 133 Ų | 133 | 126.7 Ų | 126.7 | 71% | 0.711 | 68% | 0.682 | S | S | * | * | trans | 58.3 | 118.7 | 155.6 | -64.7 | 80.4 | 0 | 0 | 0 | 119.1 | ||||
| 551 | D | 27.6 | Very low | 24.8 | Very low | 133 Ų | 133 | 128 Ų | 128 | 71% | 0.711 | 68% | 0.683 | S | S | * | * | 82.3 | 136.8 | 76.9 | -59.9 | -29.8 | 0 | 0 | 0 | 113.5 | |||||
| 552 | E | 26.2 | Very low | 24.6 | Very low | 154 Ų | 154 | 128.8 Ų | 128.8 | 72% | 0.72 | 68% | 0.68 | S | S | * | * | cis | -160.8 | 150.5 | 13.5 | -129.9 | -172.8 | -116.4 | 0 | 0 | 112 | ||||
| 553 | N | 26.1 | Very low | 24.4 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 75% | 0.754 | 68% | 0.678 | S | S | * | * | trans | 52 | 154.1 | 145.4 | -62.9 | -24.1 | 0 | 0 | 0 | 122.8 | ||||
| 554 | S | 24.3 | Very low | 24.3 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 66% | 0.664 | S | S | * | * | cis | -140.5 | -177.7 | -0.6 | 59.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 555 | E | 22.4 | Very low | 24 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 72% | 0.72 | 67% | 0.668 | S | S | * | * | cis | -161.4 | 169.2 | 17.7 | -154.1 | 159.3 | -104.9 | 0 | 0 | 112.7 | ||||
| 556 | F | 21.9 | Very low | 23.9 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 72% | 0.715 | 65% | 0.653 | S | S | * | * | trans | 72.8 | 154.3 | 174.7 | -76.2 | -83.6 | 0 | 0 | 0 | 119.8 | ||||
| 557 | V | 23.7 | Very low | 23.8 | Very low | 78 Ų | 78 | 131.1 Ų | 131.1 | 47% | 0.473 | 66% | 0.66 | S | S | . | * | trans | 79.5 | 82.5 | -179.5 | -165 | 0 | 0 | 0 | 0 | 116.5 | D467 | D467-V557 HydrophobicContact CB-CB 4.42Å; D467-V557 HydrophobicContact CB-CG1 4.18Å; D467-V557 WeakPolarHBondContact OD2-CA 3.21Å; D467-V557 PolarHBondContact OD2-N 3.35Å | ||
| 558 | Y | 21.4 | Very low | 23.8 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 58% | 0.576 | 65% | 0.647 | S | S | * | * | trans | -53.4 | 158.3 | 151.2 | -82 | -121.2 | 0 | 0 | 0 | 112.3 | D467 A468 S469 | D467-Y558 CarbonylContact C-O 3.51Å; D467-Y558 CarbonylContact O-C 3.58Å; D467-Y558 WeakPolarHBondContact O-CB 3.17Å; D467-Y558 PolarHBondContact OD2-N 2.91Å; A468-Y558 WeakPolarHBondContact CA-O 3.27Å; A468-Y558 PolarHBondContact N-O 3.43Å; S469-Y558 PolarHBondContact N-O 3.03Å | ||
| 559 | L | 22.4 | Very low | 23.8 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 44% | 0.44 | 66% | 0.655 | S | S | . | * | trans | -141.7 | 143.6 | 135.7 | -145.6 | -171.8 | 0 | 0 | 0 | 108.6 | A468 S470 | A468-L559 HydrophobicContact CB-CD2 3.72Å; A468-L559 HydrophobicContact CB-CG 3.97Å; S470-L559 VanDerWaalsContact OG-CD1 3.24Å; S470-L559 WeakPolarHBondContact OG-CD1 3.14Å | ||
| 560 | F | 22 | Very low | 23.9 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 62% | 0.618 | 66% | 0.661 | S | S | * | * | trans | -55.1 | 153.1 | 166.8 | -90.8 | -98.8 | 0 | 0 | 0 | 113.2 | ||||
| 561 | N | 22.9 | Very low | 24 | Very low | 129 Ų | 129 | 135.3 Ų | 135.3 | 69% | 0.69 | 67% | 0.669 | S | S | * | * | trans | 68.4 | 144.5 | 144.1 | -71.6 | -8.8 | 0 | 0 | 0 | 118.4 | ||||
| 562 | L | 22.9 | Very low | 23.9 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 58% | 0.581 | 66% | 0.664 | S | S | * | * | cis | -151.6 | 146.8 | 3.3 | -115.9 | 155 | 0 | 0 | 0 | 108.9 | S564 | L562-S564 VanDerWaalsContact CD2-N 3.27Å; L562-S564 WeakPolarHBondContact CD2-OG 3.39Å | ||
| 563 | Y | 21.7 | Very low | 23.8 | Very low | 213 Ų | 213 | 136.5 Ų | 136.5 | 84% | 0.835 | 67% | 0.67 | S | S | * | * | -147.7 | 82.8 | 129.7 | -111.8 | -60.5 | 0 | 0 | 0 | 110.7 | Y565 | Y563-Y565 HydrophobicContact CD1-CD2 4.1Å; Y563-Y565 HydrophobicContact CD1-CE2 4.12Å; Y563-Y565 HydrophobicContact CE1-CD2 4.29Å; Y563-Y565 AromaticContact CE1-CE2 3.83Å; Y563-Y565 HydrophobicContact CE1-CE2 3.83Å | |||
| 564 | S | 23.7 | Very low | 23.9 | Very low | 68 Ų | 68 | 134.4 Ų | 134.4 | 48% | 0.476 | 66% | 0.664 | S | S | . | * | trans | -64.3 | 137 | 151.6 | -64.8 | 0 | 0 | 0 | 0 | 108.6 | L562 | L562-S564 VanDerWaalsContact CD2-N 3.27Å; L562-S564 WeakPolarHBondContact CD2-OG 3.39Å | ||
| 565 | Y | 23.4 | Very low | 23.8 | Very low | 198 Ų | 198 | 134.7 Ų | 134.7 | 78% | 0.776 | 67% | 0.666 | S | S | * | * | trans | -119 | 106.6 | 134.4 | -102.4 | -95.5 | 0 | 0 | 0 | 106.4 | Y563 | Y563-Y565 HydrophobicContact CD1-CD2 4.1Å; Y563-Y565 HydrophobicContact CD1-CE2 4.12Å; Y563-Y565 HydrophobicContact CE1-CD2 4.29Å; Y563-Y565 AromaticContact CE1-CE2 3.83Å; Y563-Y565 HydrophobicContact CE1-CE2 3.83Å | ||
| 566 | H | 25.2 | Very low | 24 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 55% | 0.551 | 67% | 0.668 | S | S | * | * | 64.2 | 105.8 | 77.4 | -89.2 | -90.2 | 0 | 0 | 0 | 113 | S568 | H566-S568 WeakPolarHBondContact CB-OG 3.21Å; H566-S568 PolarHBondContact ND1-OG 3.46Å | |||
| 567 | C | 22.4 | Very low | 24.2 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 89% | 0.892 | 67% | 0.671 | S | S | * | * | -111.4 | 124.6 | 102.5 | -70.6 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 568 | S | 25.4 | Very low | 24.2 | Very low | 62 Ų | 62 | 138.9 Ų | 138.9 | 43% | 0.434 | 69% | 0.688 | S | S | . | * | cis | 64.8 | 90.3 | 40.9 | -54.1 | 0 | 0 | 0 | 0 | 113.2 | H566 | H566-S568 WeakPolarHBondContact CB-OG 3.21Å; H566-S568 PolarHBondContact ND1-OG 3.46Å | ||
| 569 | H | 24.9 | Very low | 24.4 | Very low | 198 Ų | 198 | 138.2 Ų | 138.2 | 92% | 0.917 | 70% | 0.698 | S | S | * | * | trans | -92.4 | 126.9 | 137 | -135.6 | -75.5 | 0 | 0 | 0 | 108.5 | ||||
| 570 | H | 26.4 | Very low | 24.4 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 61% | 0.606 | 71% | 0.709 | S | S | * | * | trans | -95.1 | 136.6 | -176.6 | -109.3 | -48.9 | 0 | 0 | 0 | 111.4 | ||||
| 571 | Q | 27 | Very low | 24.5 | Very low | 187 Ų | 187 | 143.8 Ų | 143.8 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | -161 | 102.9 | 125.3 | -101.1 | 167.6 | 21.2 | 0 | 0 | 106.3 | |||||
| 572 | K | 25.9 | Very low | 24.5 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 62% | 0.622 | 72% | 0.722 | S | S | * | * | 52.1 | 104.6 | 77.8 | -68 | -172.2 | 174.7 | -179.9 | 0 | 110.8 | |||||
| 573 | M | 23.5 | Very low | 24.6 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 83% | 0.833 | 73% | 0.734 | S | S | * | * | -153.6 | 169.3 | 70.5 | -88.5 | -53.7 | -176.7 | 0 | 0 | 113.2 | |||||
| 574 | P | 27.5 | Very low | 24.6 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 63% | 0.63 | 73% | 0.733 | S | S | * | * | trans | -138.1 | 175.8 | -131.7 | 43.7 | -26.8 | 0 | 0 | 0 | 117.7 | ||||
| 575 | S | 22.5 | Very low | 24.7 | Very low | 105 Ų | 105 | 149.2 Ų | 149.2 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | 70 | 165.9 | 152.6 | 75.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 576 | Q | 28.1 | Very low | 24.8 | Very low | 163 Ų | 163 | 151.7 Ų | 151.7 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | cis | -152.6 | 141.8 | 12.8 | -156.4 | 165.8 | 14.2 | 0 | 0 | 112.9 | ||||
| 577 | N | 25.4 | Very low | 24.9 | Very low | 143 Ų | 143 | 151.6 Ų | 151.6 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | trans | 35.7 | 150.6 | 153.3 | -63.4 | 2.5 | 0 | 0 | 0 | 124.8 | ||||
| 578 | Q | 23.9 | Very low | 25 | Very low | 177 Ų | 177 | 153 Ų | 153 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -42.3 | 153.8 | 151.8 | -55.1 | 159.1 | -27.5 | 0 | 0 | 113.8 | ||||
| 579 | V | 24.6 | Very low | 25.3 | Very low | 133 Ų | 133 | 160.6 Ų | 160.6 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | -179.8 | 160.5 | 111.2 | 147.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 580 | D | 23.3 | Very low | 25.5 | Very low | 125 Ų | 125 | 157.5 Ų | 157.5 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | trans | -42 | 157.5 | 171.3 | -77.4 | -92.2 | 0 | 0 | 0 | 118.1 | ||||
| 581 | R | 23.9 | Very low | 25.7 | Very low | 217 Ų | 217 | 159.5 Ų | 159.5 | 82% | 0.819 | 78% | 0.779 | S | S | * | * | trans | 53.5 | 105.1 | 142.4 | -70.4 | 171.7 | -179.9 | -177.6 | -1.2 | 118.9 | ||||
| 582 | S | 22.2 | Very low | 25.9 | Very low | 107 Ų | 107 | 155.6 Ų | 155.6 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | 33.5 | 123.2 | 121.3 | 63.3 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 583 | R | 24.8 | Very low | 26 | Very low | 224 Ų | 224 | 155 Ų | 155 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | 87.2 | 112 | 174.2 | -70.4 | -174.4 | 160.2 | 168.1 | -3.5 | 116.7 | ||||
| 584 | E | 23.6 | Very low | 26.4 | Very low | 173 Ų | 173 | 154.9 Ų | 154.9 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | 22.2 | 118.1 | 113.1 | -56.5 | 171.7 | 113.4 | 0 | 0 | 116.7 | |||||
| 585 | V | 25.8 | Very low | 26.5 | Very low | 131 Ų | 131 | 157.2 Ų | 157.2 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | -155.7 | 129.3 | 98.1 | 145.4 | 0 | 0 | 0 | 0 | 108.9 | V587 | V585-V587 HydrophobicContact CG1-CG2 4.17Š| |||
| 586 | R | 23.8 | Very low | 26.9 | Very low | 249 Ų | 249 | 157.5 Ų | 157.5 | 94% | 0.94 | 77% | 0.772 | S | S | * | * | trans | -86.2 | 119.8 | 158.6 | -70.3 | 176.3 | 176 | 136.3 | -8.5 | 108 | ||||
| 587 | V | 27.6 | Very low | 27.1 | Very low | 117 Ų | 117 | 156.4 Ų | 156.4 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | trans | -146.5 | 119 | 142.4 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | V585 R589 | V585-V587 HydrophobicContact CG1-CG2 4.17Å; V587-R589 HydrophobicContact CG1-CB 4.21Å | ||
| 588 | D | 26 | Very low | 27.3 | Very low | 162 Ų | 162 | 158 Ų | 158 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | -130.1 | 102.3 | 154.3 | -160.2 | -3.1 | 0 | 0 | 0 | 107 | ||||
| 589 | R | 29.9 | Very low | 27.6 | Very low | 222 Ų | 222 | 154.3 Ų | 154.3 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | -155.8 | 117.4 | -176.8 | -84.5 | -162.1 | 172.5 | -179.9 | -2.9 | 113 | V587 | V587-R589 HydrophobicContact CG1-CB 4.21Š| ||
| 590 | N | 30.5 | Very low | 28 | Very low | 133 Ų | 133 | 154.1 Ų | 154.1 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -134.8 | 147.2 | 141.3 | -72.7 | -84.7 | 0 | 0 | 0 | 105.4 | ||||
| 591 | K | 30.5 | Very low | 28.3 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | cis | -163.8 | 165.6 | -14.3 | -111.5 | 164.5 | -173.6 | 152.8 | 0 | 104.4 | ||||
| 592 | T | 30.2 | Very low | 28.5 | Very low | 105 Ų | 105 | 147.3 Ų | 147.3 | 64% | 0.644 | 76% | 0.763 | S | S | * | * | cis | -162.4 | 164.2 | 27.6 | -13.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 593 | D | 29.3 | Very low | 28.9 | Very low | 130 Ų | 130 | 150.8 Ų | 150.8 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | trans | 73.3 | 140.9 | 148.3 | -54.9 | -33.2 | 0 | 0 | 0 | 125 | ||||
| 594 | H | 30.5 | Very low | 29.2 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | 65.8 | 133.7 | 169.4 | -59.2 | -57.2 | 0 | 0 | 0 | 118.3 | ||||
| 595 | L | 30.2 | Very low | 29.4 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | cis | -154.4 | 142.7 | -4.7 | -102.5 | 161.4 | 0 | 0 | 0 | 109.4 | ||||
| 596 | V | 31 | Very low | 29.4 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 67% | 0.673 | 76% | 0.758 | S | S | * | * | trans | 35.6 | 128.7 | 133.4 | 175.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 597 | D | 31.7 | Very low | 29.7 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | cis | -152.5 | 179.4 | 45.5 | -135.4 | -28.8 | 0 | 0 | 0 | 116.7 | ||||
| 598 | E | 29.4 | Very low | 29.7 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | -60.8 | 159.8 | -174.5 | -68.5 | 179.4 | 161.1 | 0 | 0 | 117.9 | ||||
| 599 | S | 30.2 | Very low | 29.7 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | cis | -147.6 | -132.2 | -5.4 | 44.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 600 | T | 33 | Very low | 29.7 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | cis | -161.3 | 174.9 | 7.1 | -25.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 601 | S | 29.8 | Very low | 29.5 | Very low | 94 Ų | 94 | 129.6 Ų | 129.6 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | trans | -93.7 | 153.5 | -180 | 44.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 602 | S | 29.8 | Very low | 29.1 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | cis | 73 | 147.1 | 46.2 | 88.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 603 | H | 30.2 | Very low | 28.9 | Very low | 180 Ų | 180 | 129 Ų | 129 | 83% | 0.833 | 75% | 0.754 | S | S | * | * | cis | -164.2 | 162.4 | 15.7 | -146.1 | -71.7 | 0 | 0 | 0 | 112.9 | ||||
| 604 | G | 29.9 | Very low | 28.7 | Very low | 56 Ų | 56 | 128.4 Ų | 128.4 | 58% | 0.577 | 76% | 0.755 | S | S | * | * | trans | 90.4 | 157.7 | 155 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 605 | D | 28.3 | Very low | 28.4 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | cis | -160.1 | 159.4 | -11.7 | -81.6 | -40.9 | 0 | 0 | 0 | 112.3 | ||||
| 606 | D | 26.4 | Very low | 28.1 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | trans | 65.1 | 153.2 | 152.9 | -86.7 | -22.4 | 0 | 0 | 0 | 127.4 | ||||
| 607 | A | 29.6 | Very low | 27.8 | Very low | 87 Ų | 87 | 130.4 Ų | 130.4 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | trans | 101.3 | 126.9 | 147.2 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 608 | S | 28.4 | Very low | 27.4 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | 32.5 | 121.3 | 150 | 55.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 609 | V | 25.2 | Very low | 27.1 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | 67.4 | 107.8 | 64.5 | 178 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 610 | T | 30.1 | Very low | 26.8 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -169 | 159.1 | 138.1 | 9.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 611 | T | 25.7 | Very low | 26.4 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | trans | -77 | 143.5 | -161.8 | 46.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 612 | S | 23.2 | Very low | 26.4 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | 84.3 | 152.8 | 125.8 | 77.4 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 613 | H | 25.9 | Very low | 26.2 | Very low | 168 Ų | 168 | 137 Ų | 137 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | trans | 68.3 | 111.1 | 157.1 | -75 | -73.9 | 0 | 0 | 0 | 124.1 | ||||
| 614 | V | 24.9 | Very low | 26.2 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | 74.4 | 108.8 | 121.9 | 176.9 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 615 | Y | 22.8 | Very low | 26.2 | Very low | 217 Ų | 217 | 141.5 Ų | 141.5 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | 59.5 | 142.4 | 140.8 | -95.5 | -92.6 | 0 | 0 | 0 | 125 | ||||
| 616 | S | 24.1 | Very low | 26.2 | Very low | 94 Ų | 94 | 140.5 Ų | 140.5 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | trans | 61.5 | 104 | 154.9 | 54.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 617 | D | 24.3 | Very low | 26.3 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | 26.8 | 125.6 | 126.9 | -52.4 | -24.8 | 0 | 0 | 0 | 119.7 | |||||
| 618 | I | 23.7 | Very low | 26.2 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | -168.4 | 109.5 | 121 | -101.8 | 157.5 | 0 | 0 | 0 | 113.1 | |||||
| 619 | V | 22.9 | Very low | 26.1 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 64% | 0.642 | 75% | 0.75 | S | S | * | * | trans | 58.7 | 142.6 | 130.7 | -176.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 620 | R | 23.7 | Very low | 26.1 | Very low | 211 Ų | 211 | 141.9 Ų | 141.9 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | trans | 77.2 | 152.6 | 164.6 | -86.7 | 167.5 | -69.3 | -179.2 | -2.9 | 114.4 | ||||
| 621 | K | 25.8 | Very low | 25.8 | Very low | 180 Ų | 180 | 139.4 Ų | 139.4 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | cis | -157.2 | 173.5 | 16.5 | -149 | 176.6 | -179.4 | -175.9 | 0 | 112.1 | ||||
| 622 | V | 29.3 | Very low | 25.7 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | 77.9 | 139.3 | 165.7 | -165.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 623 | V | 26.5 | Very low | 25.5 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 67% | 0.667 | 75% | 0.751 | S | S | * | * | 173.3 | 129 | -51.6 | 147.3 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 624 | M | 29.5 | Very low | 25.4 | Very low | 165 Ų | 165 | 142 Ų | 142 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | -176.3 | 136.5 | 125.8 | -98.7 | -53.3 | 166.4 | 0 | 0 | 112.7 | |||||
| 625 | K | 29.9 | Very low | 25.6 | Very low | 166 Ų | 166 | 143 Ų | 143 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | 65.5 | 100.1 | 162.3 | -60.3 | -156.6 | 167.7 | -172.2 | 0 | 121.3 | ||||
| 626 | D | 28.8 | Very low | 25.8 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | 56.8 | 127.1 | 111.6 | -42.1 | -25.9 | 0 | 0 | 0 | 119.3 | |||||
| 627 | T | 28.8 | Very low | 25.7 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | cis | -162 | 148.9 | -2.7 | 8.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 628 | N | 27.4 | Very low | 26 | Very low | 132 Ų | 132 | 136 Ų | 136 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 25.4 | 145.6 | 141.7 | -57.8 | -8.7 | 0 | 0 | 0 | 121.5 | ||||
| 629 | Q | 26.4 | Very low | 26 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | cis | -174.9 | 169.4 | -9.6 | -114.8 | 174.4 | -10.4 | 0 | 0 | 107.4 | ||||
| 630 | T | 25 | Very low | 26.1 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | trans | 42.8 | 114.8 | 155.2 | 52.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 631 | A | 24.1 | Very low | 26.4 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | 70.3 | 142.7 | 77.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 632 | C | 22.1 | Very low | 26.6 | Very low | 132 Ų | 132 | 125.9 Ų | 125.9 | 89% | 0.892 | 76% | 0.759 | S | S | * | * | trans | 73.3 | 154.5 | -170.3 | -70.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 633 | C | 20.5 | Very low | 26.4 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -37.1 | 130.3 | -172.6 | -49.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 634 | F | 21.9 | Very low | 26.6 | Very low | 196 Ų | 196 | 126.2 Ų | 126.2 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | -173.6 | 135 | 110.8 | -102.3 | -70.4 | 0 | 0 | 0 | 110.8 | |||||
| 635 | V | 30.8 | Very low | 26.5 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | trans | -115.6 | 126.9 | 149.6 | 176.2 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 636 | P | 25.9 | Very low | 26.5 | Very low | 94 Ų | 94 | 125.8 Ų | 125.8 | 61% | 0.61 | 77% | 0.765 | S | S | * | * | -137.6 | 154.7 | 125.4 | 37.7 | -28 | 0 | 0 | 0 | 113.5 | |||||
| 637 | S | 22.6 | Very low | 27 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | 50.5 | 100.3 | 149 | 61.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 638 | S | 29.6 | Very low | 26.8 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 88% | 0.881 | 77% | 0.773 | S | S | * | * | -155.8 | 153 | 106 | 15.6 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 639 | V | 25.3 | Very low | 27 | Very low | 139 Ų | 139 | 126.7 Ų | 126.7 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | -114.8 | 156.3 | -167.5 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 640 | S | 24.9 | Very low | 26.8 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -34.8 | 149 | -175.8 | 59.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 641 | S | 29 | Very low | 26.7 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -151.6 | 150.5 | 133.5 | 56.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 642 | G | 31 | Very low | 26.8 | Very low | 64 Ų | 64 | 129.9 Ų | 129.9 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | trans | 81.5 | 120 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 643 | C | 25.3 | Very low | 27 | Very low | 122 Ų | 122 | 132 Ų | 132 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | cis | 56.1 | 113.4 | 41.2 | -42.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 644 | D | 30.3 | Very low | 27.3 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 65% | 0.647 | 78% | 0.775 | S | S | * | * | cis | -154.8 | 162.3 | 48.6 | -100.1 | -0.7 | 0 | 0 | 0 | 109.1 | ||||
| 645 | R | 27.9 | Very low | 27.4 | Very low | 199 Ų | 199 | 138.1 Ų | 138.1 | 75% | 0.751 | 78% | 0.778 | S | S | * | * | cis | -160.2 | 166.7 | 18.1 | -115 | 150.7 | -147 | -164.3 | 5.8 | 110.6 | ||||
| 646 | S | 29.8 | Very low | 27.3 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | 47.8 | 81.4 | 155.9 | 58.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 647 | S | 37.6 | Very low | 27.1 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -154.8 | 141.3 | 179.8 | 48.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 648 | H | 25.6 | Very low | 27.3 | Very low | 188 Ų | 188 | 139.2 Ų | 139.2 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | -177.7 | 166.3 | 174.3 | -101 | -65.2 | 0 | 0 | 0 | 109.7 | ||||
| 649 | P | 30.6 | Very low | 27.2 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | cis | -126.7 | 172.7 | -16 | 37.1 | -21.6 | 0 | 0 | 0 | 113.8 | ||||
| 650 | C | 23 | Very low | 27.4 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -101.7 | 170.5 | 167.3 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 651 | F | 23.8 | Very low | 27.7 | Very low | 189 Ų | 189 | 143 Ų | 143 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | -110.1 | 162.9 | 152.2 | -86.8 | -93.6 | 0 | 0 | 0 | 107.3 | ||||
| 652 | D | 26.3 | Very low | 27.7 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | cis | -129.4 | -177.8 | 9.3 | -78.3 | -69.6 | 0 | 0 | 0 | 109 | ||||
| 653 | Q | 25.7 | Very low | 27.7 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | cis | -160.1 | 144.2 | 39.9 | -73.9 | -178.6 | -19.5 | 0 | 0 | 114.4 | ||||
| 654 | Y | 25.7 | Very low | 27.8 | Very low | 203 Ų | 203 | 143.7 Ų | 143.7 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | 23.4 | 121.1 | 142.4 | -65.1 | -95.8 | 0 | 0 | 0 | 121.5 | ||||
| 655 | Y | 25.6 | Very low | 27.6 | Very low | 236 Ų | 236 | 144.7 Ų | 144.7 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | -159.8 | 157.9 | 124.4 | -114.1 | -89.7 | 0 | 0 | 0 | 108.6 | |||||
| 656 | P | 27 | Very low | 27.7 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | trans | -115.5 | 163 | -166.2 | 39.4 | -27.2 | 0 | 0 | 0 | 115.9 | ||||
| 657 | I | 23 | Very low | 27.5 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | 62.2 | 120.9 | 155.4 | -63.9 | 163.8 | 0 | 0 | 0 | 118.2 | ||||
| 658 | S | 26.1 | Very low | 27.2 | Very low | 97 Ų | 97 | 141.4 Ų | 141.4 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | -9.2 | 119.4 | 167.1 | 55.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 659 | E | 27.8 | Very low | 27.3 | Very low | 173 Ų | 173 | 141 Ų | 141 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | 38.4 | 136.1 | 109.2 | -66.6 | -165.3 | 152.3 | 0 | 0 | 120.6 | |||||
| 660 | I | 30.4 | Very low | 27.2 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | cis | -166.4 | 162.5 | -8.4 | -130.7 | 167.9 | 0 | 0 | 0 | 111.7 | ||||
| 661 | H | 30.5 | Very low | 27.6 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | 68.8 | 126.3 | 168.2 | -74.7 | -27 | 0 | 0 | 0 | 119.3 | ||||
| 662 | V | 29.2 | Very low | 27.8 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | 89.1 | 125.9 | 52.7 | 164.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 663 | T | 30.4 | Very low | 27.7 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | -155 | 156.6 | 86.8 | 43.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 664 | G | 27.1 | Very low | 27.6 | Very low | 81 Ų | 81 | 139.1 Ų | 139.1 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -123.1 | 21.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 665 | N | 26.7 | Very low | 27.5 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -159.8 | 136.5 | 166.2 | -135.9 | -11.5 | 0 | 0 | 0 | 112.3 | ||
| 666 | V | 28.8 | Very low | 27.4 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 71.5 | 101.1 | 170.7 | -169.5 | 0 | 0 | 0 | 0 | 117.7 | ||
| 667 | N | 27.5 | Very low | 27.1 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | 84.8 | 84.8 | 150.4 | -58.8 | -0.9 | 0 | 0 | 0 | 122.3 | ||||
| 668 | A | 29.4 | Very low | 27.2 | Very low | 91 Ų | 91 | 130 Ų | 130 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | 67 | 141 | 112.4 | 0 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 669 | E | 28 | Very low | 27.2 | Very low | 178 Ų | 178 | 134 Ų | 134 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | 79.3 | 103.8 | 151.2 | -73.6 | 166.8 | -146.9 | 0 | 0 | 122.2 | ||||
| 670 | D | 30.1 | Very low | 27 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | 49.1 | 141.8 | 123.8 | -59 | 2.3 | 0 | 0 | 0 | 124.1 | |||||
| 671 | G | 31.3 | Very low | 26.7 | Very low | 76 Ų | 76 | 130.8 Ų | 130.8 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | trans | 166.7 | 144.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 672 | Q | 27.8 | Very low | 27 | Very low | 184 Ų | 184 | 128.7 Ų | 128.7 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -135.7 | 140.8 | -179.1 | -68.3 | 177.5 | -75 | 0 | 0 | 113.5 | ||||
| 673 | C | 23.2 | Very low | 26.8 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | trans | 55.4 | 146.9 | 144.9 | -59.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 674 | N | 24 | Very low | 26.7 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | 95 | 126.1 | 144.4 | -69.3 | -12.2 | 0 | 0 | 0 | 123 | ||||
| 675 | L | 23.4 | Very low | 26.7 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | trans | 79.3 | 136.2 | 137.2 | -97.6 | 69.7 | 0 | 0 | 0 | 123.5 | ||||
| 676 | C | 23 | Very low | 26.9 | Very low | 97 Ų | 97 | 133.7 Ų | 133.7 | 66% | 0.655 | 77% | 0.77 | S | S | * | * | trans | 79.8 | 123.7 | 145.5 | -68.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 677 | E | 22.3 | Very low | 27 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 64.3 | 130.6 | 130.8 | -63.7 | -174 | 124.5 | 0 | 0 | 123.3 | ||||
| 678 | S | 23.6 | Very low | 27.2 | Very low | 86 Ų | 86 | 133.8 Ų | 133.8 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | trans | 9.6 | 127.9 | 151.5 | 57 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 679 | H | 26.1 | Very low | 27.2 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | -171.5 | 179.6 | 96 | -99.4 | -66.7 | 0 | 0 | 0 | 111.9 | |||||
| 680 | C | 23.6 | Very low | 27.3 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -90.7 | 162.9 | -170.2 | -55.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 681 | S | 25.7 | Very low | 27.3 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -14.3 | 157.2 | 152.4 | -42.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 682 | P | 36.4 | Very low | 27.3 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | cis | -159.8 | -166.3 | 42.7 | 43.9 | -20.9 | 0 | 0 | 0 | 119.4 | ||||
| 683 | R | 23.9 | Very low | 27.3 | Very low | 237 Ų | 237 | 129.9 Ų | 129.9 | 89% | 0.894 | 73% | 0.728 | S | S | * | * | trans | 88.7 | 150.2 | 143.4 | -98.1 | 177.7 | 167.4 | 164.3 | -3.7 | 122.4 | ||||
| 684 | G | 29.1 | Very low | 27.5 | Very low | 65 Ų | 65 | 132 Ų | 132 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | trans | 102.6 | 86.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 685 | D | 26.4 | Very low | 27.8 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 78% | 0.775 | 72% | 0.722 | S | S | * | * | 81.4 | 159.8 | 57.4 | -65.9 | -60.6 | 0 | 0 | 0 | 114.9 | |||||
| 686 | V | 31.5 | Very low | 27.8 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 75% | 0.745 | 72% | 0.72 | S | S | * | * | trans | 87.3 | 93.7 | 178 | -173.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 687 | I | 31.5 | Very low | 27.7 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | 82.9 | 131 | 81.1 | -77.3 | 164.2 | 0 | 0 | 0 | 112.4 | |||||
| 688 | N | 30.8 | Very low | 27.8 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | cis | -158.4 | 150.7 | 7.9 | -124.8 | 0.4 | 0 | 0 | 0 | 112.9 | ||||
| 689 | N | 30.2 | Very low | 27.6 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 66% | 0.658 | 72% | 0.723 | S | S | * | * | trans | 42 | 135.5 | 137.7 | -61.3 | -16.2 | 0 | 0 | 0 | 121.2 | ||||
| 690 | L | 29.8 | Very low | 27.5 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | cis | -157.1 | -179.4 | 15.1 | -142.2 | 60.6 | 0 | 0 | 0 | 106.9 | ||||
| 691 | S | 30.5 | Very low | 27.4 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | cis | -160 | -178.9 | 15.7 | 62.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 692 | N | 29.8 | Very low | 27.4 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | trans | -27.3 | 150.5 | 162.2 | -58.7 | 41.3 | 0 | 0 | 0 | 117.7 | ||||
| 693 | E | 27.9 | Very low | 26.8 | Very low | 126 Ų | 126 | 131 Ų | 131 | 59% | 0.589 | 71% | 0.706 | S | S | * | * | cis | -164.8 | 150 | -9.8 | -112.7 | 177.7 | 122.1 | 0 | 0 | 110.1 | ||||
| 694 | K | 29 | Very low | 26.9 | Very low | 153 Ų | 153 | 125.4 Ų | 125.4 | 67% | 0.665 | 69% | 0.69 | S | S | * | * | trans | 44.8 | 137.7 | 140.5 | -65.6 | 172.8 | -179.7 | 157.5 | 0 | 120.6 | ||||
| 695 | H | 29.7 | Very low | 26.6 | Very low | 150 Ų | 150 | 127.3 Ų | 127.3 | 69% | 0.694 | 68% | 0.68 | S | S | * | * | cis | -150.9 | 118.1 | -0.6 | -96.8 | -62.4 | 0 | 0 | 0 | 106 | ||||
| 696 | S | 23.7 | Very low | 26.6 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 74% | 0.741 | 67% | 0.67 | S | S | * | * | 59.3 | 117.9 | 87.3 | 73.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 697 | S | 20.7 | Very low | 26.3 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | trans | -111.4 | -180 | 174 | 58.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 698 | I | 23.1 | Very low | 26.1 | Very low | 147 Ų | 147 | 122.9 Ų | 122.9 | 75% | 0.754 | 68% | 0.677 | S | S | * | * | trans | 76 | 150.1 | 161.5 | -64.6 | 163.5 | 0 | 0 | 0 | 115.9 | ||||
| 699 | S | 20.2 | Very low | 26 | Very low | 96 Ų | 96 | 126.2 Ų | 126.2 | 67% | 0.671 | 69% | 0.688 | S | S | * | * | trans | -71.6 | 166.2 | 176 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 700 | F | 24.5 | Very low | 26 | Very low | 196 Ų | 196 | 131.4 Ų | 131.4 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | -161.9 | 161.4 | 128.7 | -109.1 | -69.5 | 0 | 0 | 0 | 111.3 | |||||
| 701 | S | 21.6 | Very low | 25.8 | Very low | 86 Ų | 86 | 128.7 Ų | 128.7 | 60% | 0.601 | 69% | 0.692 | S | S | * | * | trans | -102.9 | 138.9 | 171 | 64.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 702 | H | 25.2 | Very low | 25.8 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 71% | 0.708 | 69% | 0.689 | S | S | * | * | -177.6 | 135.5 | 115.2 | -109 | 52.1 | 0 | 0 | 0 | 113.8 | |||||
| 703 | N | 24.4 | Very low | 25.9 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 63% | 0.626 | 70% | 0.697 | S | S | * | * | trans | 46.7 | 115.3 | 137.8 | -62.8 | 6.2 | 0 | 0 | 0 | 122.5 | ||||
| 704 | H | 24.7 | Very low | 26 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 55% | 0.551 | 71% | 0.707 | S | S | * | * | 98 | 139.3 | 120.3 | -96.1 | -58.4 | 0 | 0 | 0 | 123.7 | |||||
| 705 | F | 23.9 | Very low | 26.1 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 46% | 0.461 | 71% | 0.708 | S | S | . | * | trans | 80.9 | 84.9 | 147.5 | -85.3 | -66.3 | 0 | 0 | 0 | 122 | R815 | F705-R815 HydrophobicContact CZ-CG 4.19Š| ||
| 706 | L | 26.4 | Very low | 26.2 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 57% | 0.565 | 71% | 0.708 | S | S | * | * | 69.2 | 113.7 | 129.1 | -75.3 | -175.9 | 0 | 0 | 0 | 122.3 | R815 | L706-R815 VanDerWaalsContact CD1-NH2 3.34Š| |||
| 707 | T | 24.4 | Very low | 26.4 | Very low | 128 Ų | 128 | 125 Ų | 125 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | 36.4 | 120.9 | 122.5 | 64.7 | 0 | 0 | 0 | 0 | 120 | |||||
| 708 | G | 27.6 | Very low | 26.9 | Very low | 81 Ų | 81 | 128 Ų | 128 | 84% | 0.835 | 71% | 0.708 | S | S | * | * | trans | -176.4 | 52.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 709 | Q | 27.9 | Very low | 27.1 | Very low | 189 Ų | 189 | 127.8 Ų | 127.8 | 88% | 0.883 | 71% | 0.709 | S | S | * | * | trans | -23.4 | 131 | 171.1 | -68.4 | 176.3 | -34.3 | 0 | 0 | 118.8 | ||||
| 710 | R | 30.1 | Very low | 27.6 | Very low | 232 Ų | 232 | 128.1 Ų | 128.1 | 88% | 0.875 | 71% | 0.711 | S | S | * | * | -170.3 | 126.7 | 124.9 | -97.3 | 161 | -178.9 | -167.7 | -0.7 | 106.1 | |||||
| 711 | S | 27.3 | Very low | 27.8 | Very low | 91 Ų | 91 | 126.7 Ų | 126.7 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | cis | 65.3 | 149.2 | 49.1 | 106.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 712 | S | 30.5 | Very low | 28.6 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 63% | 0.629 | 72% | 0.715 | S | S | * | * | cis | -168.7 | 142.4 | 1 | 25.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 713 | D | 31.2 | Very low | 28.8 | Very low | 148 Ų | 148 | 126 Ų | 126 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | cis | -144.4 | -150.7 | -17.2 | -77.6 | -50 | 0 | 0 | 0 | 105.5 | ||||
| 714 | E | 30.9 | Very low | 28.9 | Very low | 172 Ų | 172 | 124 Ų | 124 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | cis | -156.5 | -166.8 | 5.3 | -145.4 | -146.7 | 129.8 | 0 | 0 | 106 | ||||
| 715 | A | 30.6 | Very low | 29 | Very low | 83 Ų | 83 | 124.8 Ų | 124.8 | 69% | 0.686 | 75% | 0.746 | S | S | * | * | cis | -161.5 | 165.4 | 6.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 716 | A | 30.3 | Very low | 29.2 | Very low | 84 Ų | 84 | 126 Ų | 126 | 69% | 0.694 | 76% | 0.763 | S | S | * | * | cis | -160.6 | 154.9 | -22.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 717 | S | 29 | Very low | 29.2 | Very low | 100 Ų | 100 | 126 Ų | 126 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | cis | -152.6 | 135.9 | 3 | 49.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 718 | Q | 30.9 | Very low | 29.2 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 40.2 | 121.8 | 133 | -61.5 | 172.3 | 5.4 | 0 | 0 | 119.7 | ||||
| 719 | N | 28.4 | Very low | 29 | Very low | 143 Ų | 143 | 127.3 Ų | 127.3 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | 75.7 | 121.7 | 61.2 | -61.3 | 3.9 | 0 | 0 | 0 | 112.2 | |||||
| 720 | S | 30.3 | Very low | 28.9 | Very low | 102 Ų | 102 | 124.1 Ų | 124.1 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | cis | 86.3 | 129.3 | 32.3 | 81.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 721 | D | 27.9 | Very low | 28.6 | Very low | 167 Ų | 167 | 118.5 Ų | 118.5 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | trans | -153.2 | 152 | 156.2 | -123.2 | -14.2 | 0 | 0 | 0 | 112.6 | ||||
| 722 | P | 38.8 | Very low | 28.4 | Very low | 101 Ų | 101 | 118.7 Ų | 118.7 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | trans | -129.6 | 172.5 | -170.7 | 43.6 | -30.4 | 0 | 0 | 0 | 117 | ||||
| 723 | S | 28.5 | Very low | 28.3 | Very low | 124 Ų | 124 | 120.6 Ų | 120.6 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | 71.8 | 137.8 | 154 | 73.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 724 | G | 27.5 | Very low | 28.1 | Very low | 74 Ų | 74 | 118 Ų | 118 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | trans | -171 | 54.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 725 | C | 27.1 | Very low | 27.8 | Very low | 135 Ų | 135 | 118.3 Ų | 118.3 | 91% | 0.912 | 78% | 0.784 | S | S | * | * | trans | 62.6 | 172.1 | 155.6 | -65.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 726 | T | 27.7 | Very low | 27.6 | Very low | 131 Ų | 131 | 117.9 Ų | 117.9 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -111.9 | -174.5 | -167.7 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 727 | S | 27 | Very low | 27.4 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | 83.2 | 154 | 173.2 | 88 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 728 | L | 24.4 | Very low | 27.4 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | cis | -153.3 | 167.4 | -8.2 | -131.9 | 169.6 | 0 | 0 | 0 | 109.3 | ||||
| 729 | A | 22.8 | Very low | 27.1 | Very low | 74 Ų | 74 | 129.3 Ų | 129.3 | 61% | 0.612 | 80% | 0.799 | S | S | * | * | trans | -88.7 | 120.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 730 | S | 25.9 | Very low | 27.1 | Very low | 122 Ų | 122 | 127 Ų | 127 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -168.7 | 147.6 | 162.8 | -82.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 731 | S | 24.1 | Very low | 27 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | cis | -155.7 | 167 | -5.2 | 47.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 732 | A | 22.9 | Very low | 26.9 | Very low | 96 Ų | 96 | 122.1 Ų | 122.1 | 79% | 0.793 | 76% | 0.756 | S | S | * | * | trans | -80.4 | 130.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 733 | C | 27.8 | Very low | 26.4 | Very low | 129 Ų | 129 | 122.6 Ų | 122.6 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | trans | -162.5 | 134.2 | 145.6 | -109.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 734 | A | 26.7 | Very low | 26.3 | Very low | 95 Ų | 95 | 121 Ų | 121 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | 22 | 123.6 | 153.1 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 735 | L | 24.4 | Very low | 26.4 | Very low | 177 Ų | 177 | 122.9 Ų | 122.9 | 93% | 0.927 | 74% | 0.742 | S | S | * | * | trans | -58.1 | 131.2 | 147.1 | -83.4 | 158.3 | 0 | 0 | 0 | 110.8 | ||||
| 736 | G | 27.7 | Very low | 26.4 | Very low | 75 Ų | 75 | 120.5 Ų | 120.5 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | -168.2 | 55.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R738 | G736-R738 PolarHBondContact O-N 3.22Š| ||
| 737 | R | 26.8 | Very low | 26.3 | Very low | 235 Ų | 235 | 123 Ų | 123 | 89% | 0.887 | 72% | 0.723 | S | S | * | * | trans | -54.8 | 128.5 | -175.9 | -65.8 | 174 | 174.3 | 157 | -5.1 | 114.4 | ||||
| 738 | R | 27.2 | Very low | 26.4 | Very low | 226 Ų | 226 | 120.6 Ų | 120.6 | 85% | 0.853 | 71% | 0.707 | S | S | * | * | 163.8 | 113.6 | 124.7 | -94 | 174.4 | -177.3 | -146.6 | -2 | 109.9 | G736 | G736-R738 PolarHBondContact O-N 3.22Š| |||
| 739 | L | 25.7 | Very low | 26.4 | Very low | 125 Ų | 125 | 118.5 Ų | 118.5 | 65% | 0.654 | 70% | 0.696 | S | S | * | * | 43.4 | 115.4 | 70.7 | -66.8 | 174.9 | 0 | 0 | 0 | 112.3 | |||||
| 740 | E | 27.7 | Very low | 26.6 | Very low | 95 Ų | 95 | 120.4 Ų | 120.4 | 44% | 0.444 | 69% | 0.692 | S | S | . | * | cis | -149.4 | -151.5 | 16.3 | -87 | 148.4 | 116.8 | 0 | 0 | 111.1 | S1353 L1354 | E740-S1353 VanDerWaalsContact CB-N 3.33Å; E740-S1353 VanDerWaalsContact CD-C 3.43Å; E740-S1353 VanDerWaalsContact CG-N 3.27Å; E740-S1353 PolarHBondContact OE1-N 3.27Å; E740-L1354 HydrophobicContact CB-CB 4.21Å; E740-L1354 VanDerWaalsContact CB-N 3.32Å | ||
| 741 | T | 28 | Very low | 26.6 | Very low | 68 Ų | 68 | 118.8 Ų | 118.8 | 42% | 0.417 | 67% | 0.674 | S | S | . | * | cis | -171.8 | 150.8 | 25.7 | -49.8 | 0 | 0 | 0 | 0 | 107.4 | L1354 | T741-L1354 WeakPolarHBondContact OG1-CB 3.41Å; T741-L1354 PolarHBondContact OG1-N 2.88Å | ||
| 742 | T | 26.1 | Very low | 26.7 | Very low | 98 Ų | 98 | 120.4 Ų | 120.4 | 60% | 0.601 | 67% | 0.667 | S | S | * | * | cis | -125.4 | -179.1 | 1.3 | 51 | 0 | 0 | 0 | 0 | 108.9 | V1352 | T742-V1352 WeakPolarHBondContact CA-O 3.5Å; T742-V1352 WeakPolarHBondContact O-CG2 3.35Å | ||
| 743 | T | 28.8 | Very low | 26.7 | Very low | 111 Ų | 111 | 122.9 Ų | 122.9 | 68% | 0.681 | 67% | 0.666 | S | S | * | * | cis | -146.5 | 179.4 | 17.6 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 744 | S | 26.8 | Very low | 26.6 | Very low | 92 Ų | 92 | 122.8 Ų | 122.8 | 64% | 0.643 | 66% | 0.661 | S | S | * | * | trans | -136.2 | -173 | 163.3 | 47.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 745 | V | 28.4 | Very low | 26.4 | Very low | 112 Ų | 112 | 122.4 Ų | 122.4 | 68% | 0.679 | 65% | 0.653 | S | S | * | * | -176.1 | 150.6 | 71.6 | 164.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 746 | N | 27.5 | Very low | 26.5 | Very low | 86 Ų | 86 | 119.8 Ų | 119.8 | 46% | 0.46 | 64% | 0.64 | S | S | . | * | trans | -7.1 | 152.4 | 161.8 | -67.5 | -58.4 | 0 | 0 | 0 | 122.1 | N1347 H1348 | N746-N1347 WeakPolarHBondContact OD1-CB 3.31Å; N746-N1347 PolarHBondContact OD1-ND2 3.28Å; N746-H1348 WeakPolarHBondContact CA-NE2 3.23Å; N746-H1348 PolarHBondContact N-CD2 3.33Å; N746-H1348 VanDerWaalsContact N-CD2 3.3Å; N746-H1348 PolarHBondContact N-NE2 2.85Å; N746-H1348 VanDerWaalsContact N-NE2 3.1Å; N746-H1348 PolarHBondContact OD1-CD2 3.37Å | ||
| 747 | E | 25.6 | Very low | 26.4 | Very low | 183 Ų | 183 | 121.1 Ų | 121.1 | 86% | 0.855 | 63% | 0.629 | S | S | * | * | -147.5 | -163.8 | 71.4 | -97.6 | -175.3 | 174.2 | 0 | 0 | 116.7 | N1347 | E747-N1347 PolarHBondContact O-ND2 2.87Å; E747-N1347 VanDerWaalsContact O-ND2 3.13Å | |||
| 748 | S | 28.8 | Very low | 26.4 | Very low | 59 Ų | 59 | 116.8 Ų | 116.8 | 41% | 0.413 | 62% | 0.619 | S | S | . | * | trans | -155.2 | 146.4 | -160.7 | 63.4 | 0 | 0 | 0 | 0 | 114.9 | D1344 | S748-D1344 VanDerWaalsContact CB-OD1 3.32Å; S748-D1344 WeakPolarHBondContact CB-OD1 3.47Å | ||
| 749 | L | 25.9 | Very low | 26.4 | Very low | 118 Ų | 118 | 111.7 Ų | 111.7 | 62% | 0.618 | 61% | 0.608 | S | S | * | * | trans | -158.8 | -173.4 | 164.7 | -116.8 | 171.5 | 0 | 0 | 0 | 113.9 | S1343 D1344 | L749-S1343 CarbonylContact O-C 3.45Å; L749-S1343 VanDerWaalsContact O-C 3.26Å; L749-S1343 VanDerWaalsContact O-CB 3.28Å; L749-S1343 WeakPolarHBondContact O-CB 3.5Å; L749-S1343 PolarHBondContact O-OG 3.48Å; L749-D1344 VanDerWaalsContact CA-CG 3.42Å; L749-D1344 VanDerWaalsContact CA-OD1 3.29Å; L749-D1344 WeakPolarHBondContact CA-OD1 3.25Å; L749-D1344 VanDerWaalsContact CA-OD2 3.23Å; L749-D1344 WeakPolarHBondContact CA-OD2 3.27Å; L749-D1344 PolarHBondContact N-OD1 3.15Å; L749-D1344 VanDerWaalsContact N-OD1 3.11Å; L749-D1344 WeakPolarHBondContact O-CA 3.49Å; L749-D1344 WeakPolarHBondContact O-CB 3.48Å; L749-D1344 PolarHBondContact O-N 3.11Å; L749-D1344 VanDerWaalsContact O-N 3.09Å; L749-D1344 VanDerWaalsContact O-OD1 3.13Å | ||
| 750 | Q | 25.9 | Very low | 26.5 | Very low | 113 Ų | 113 | 113.6 Ų | 113.6 | 53% | 0.528 | 62% | 0.619 | S | S | . | * | trans | -102.3 | 169.7 | -149.9 | -115.4 | 135.1 | 88.9 | 0 | 0 | 118.8 | S1343 D1344 | Q750-S1343 CarbonylContact C-O 3.36Å; Q750-S1343 VanDerWaalsContact C-O 3.25Å; Q750-D1344 HydrophobicContact CG-CB 4.18Å; Q750-D1344 WeakPolarHBondContact CG-OD2 3.45Å; Q750-D1344 PolarHBondContact N-OD2 3.34Å; Q750-D1344 PolarHBondContact NE2-OD2 3.16Å | ||
| 751 | D | 25.9 | Very low | 26.4 | Very low | 89 Ų | 89 | 117.9 Ų | 117.9 | 48% | 0.476 | 64% | 0.639 | S | S | . | * | trans | 97.3 | 105.8 | 144.7 | -100.4 | 21.3 | 0 | 0 | 0 | 124.4 | S1343 | D751-S1343 PolarHBondContact N-O 3.17Š| ||
| 752 | K | 25.5 | Very low | 26.3 | Very low | 147 Ų | 147 | 117.9 Ų | 117.9 | 64% | 0.639 | 65% | 0.652 | S | S | * | * | 55.3 | 150.3 | 129.1 | -57.9 | -178.6 | -172.3 | 74.9 | 0 | 122.9 | |||||
| 753 | N | 22.9 | Very low | 26.3 | Very low | 148 Ų | 148 | 120.1 Ų | 120.1 | 79% | 0.791 | 67% | 0.666 | S | S | * | * | trans | 74.6 | 162.6 | 156.3 | -60.5 | -21.7 | 0 | 0 | 0 | 116.6 | ||||
| 754 | V | 25.4 | Very low | 26.3 | Very low | 126 Ų | 126 | 120 Ų | 120 | 76% | 0.764 | 67% | 0.667 | S | S | * | * | cis | -158.9 | 165.3 | -21.4 | 132.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 755 | S | 23.9 | Very low | 26.1 | Very low | 88 Ų | 88 | 124.5 Ų | 124.5 | 62% | 0.615 | 68% | 0.678 | S | S | * | * | trans | -11.3 | 136.6 | 165.7 | -74.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 756 | D | 25.9 | Very low | 26.4 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 65% | 0.652 | 68% | 0.678 | S | S | * | * | 59.9 | 136.6 | 127 | -57.2 | -61.3 | 0 | 0 | 0 | 123.1 | |||||
| 757 | L | 25.8 | Very low | 26.2 | Very low | 102 Ų | 102 | 125.7 Ų | 125.7 | 53% | 0.534 | 69% | 0.69 | S | S | . | * | trans | 10.1 | 144.7 | 130.3 | -66.9 | 160.4 | 0 | 0 | 0 | 117.4 | ||||
| 758 | Q | 26.7 | Very low | 26.2 | Very low | 144 Ų | 144 | 122 Ų | 122 | 67% | 0.673 | 68% | 0.684 | S | S | * | * | -177 | -178.4 | 51.7 | -149.5 | -178.4 | 35.1 | 0 | 0 | 111.7 | |||||
| 759 | L | 28.2 | Very low | 26.2 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 62% | 0.623 | 70% | 0.703 | S | S | * | * | trans | 72.5 | 143.2 | 151.7 | -69.4 | 161.7 | 0 | 0 | 0 | 120 | ||||
| 760 | N | 26.1 | Very low | 26.2 | Very low | 165 Ų | 165 | 125.1 Ų | 125.1 | 88% | 0.882 | 71% | 0.71 | S | S | * | * | -158.8 | 143.3 | 120.2 | -104.7 | -51.4 | 0 | 0 | 0 | 111.5 | |||||
| 761 | Q | 25.3 | Very low | 26.3 | Very low | 185 Ų | 185 | 123 Ų | 123 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | trans | -119.1 | 115.3 | 165.6 | -82.1 | -165.1 | 6.2 | 0 | 0 | 110.8 | ||||
| 762 | G | 26.2 | Very low | 26.8 | Very low | 68 Ų | 68 | 124.5 Ų | 124.5 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | 79.3 | 164.7 | 142.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 763 | T | 26.4 | Very low | 26.9 | Very low | 146 Ų | 146 | 122.5 Ų | 122.5 | 90% | 0.896 | 74% | 0.738 | S | S | * | * | trans | 74.5 | 147.3 | 171.5 | 66.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 764 | P | 29.1 | Very low | 27.1 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | trans | -131.5 | 161.2 | -134.9 | 41.2 | -26.7 | 0 | 0 | 0 | 117.6 | ||||
| 765 | H | 23.2 | Very low | 27 | Very low | 186 Ų | 186 | 123.5 Ų | 123.5 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | trans | 54.4 | 150.6 | 156.5 | -84.8 | -66.4 | 0 | 0 | 0 | 120.2 | ||||
| 766 | P | 35.1 | Very low | 26.9 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | cis | -111.8 | 164.1 | -31.4 | 34.6 | -18.2 | 0 | 0 | 0 | 110.4 | ||||
| 767 | T | 23.4 | Very low | 26.7 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | -177.8 | 158.3 | 67.8 | 37.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 768 | S | 25.3 | Very low | 26.6 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | 42.2 | 141.2 | 145.2 | 63.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 769 | V | 27.5 | Very low | 26.5 | Very low | 134 Ų | 134 | 123.3 Ų | 123.3 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | cis | -164.7 | 171 | -1.9 | 122.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 770 | S | 27.1 | Very low | 26.6 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | -27.2 | 165 | 176.9 | 59.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 771 | G | 27.8 | Very low | 26.5 | Very low | 68 Ų | 68 | 123.4 Ų | 123.4 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | cis | 159.9 | 175.3 | 1.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 772 | P | 37 | Very low | 26.6 | Very low | 121 Ų | 121 | 119.3 Ų | 119.3 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | trans | -134 | -173.2 | -154.5 | 43.5 | -28 | 0 | 0 | 0 | 117.6 | ||||
| 773 | S | 27.3 | Very low | 26.6 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | 73.2 | 168.9 | 158.4 | 70.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 774 | I | 26.7 | Very low | 26.6 | Very low | 153 Ų | 153 | 122.8 Ų | 122.8 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | cis | -138.8 | 142 | 12.6 | -48.6 | 165.4 | 0 | 0 | 0 | 112.3 | ||||
| 775 | N | 22.7 | Very low | 27.2 | Very low | 143 Ų | 143 | 123.3 Ų | 123.3 | 77% | 0.765 | 73% | 0.733 | S | S | * | * | trans | -13.9 | 152.3 | 141 | -123 | 6.7 | 0 | 0 | 0 | 121.8 | ||||
| 776 | S | 22.6 | Very low | 27.8 | Very low | 89 Ų | 89 | 120 Ų | 120 | 62% | 0.622 | 73% | 0.728 | S | S | * | * | trans | 35.6 | 144.4 | 136.7 | 69 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 777 | S | 22.1 | Very low | 27.6 | Very low | 101 Ų | 101 | 119 Ų | 119 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | trans | 89.7 | 106 | 138.2 | 76.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 778 | S | 22.9 | Very low | 27.8 | Very low | 97 Ų | 97 | 118.6 Ų | 118.6 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | 86.8 | 154.4 | 112.2 | 76.1 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 779 | H | 24.2 | Very low | 28.6 | Very low | 164 Ų | 164 | 119.1 Ų | 119.1 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | trans | 60.5 | 107.6 | 167.9 | -63.4 | -68.2 | 0 | 0 | 0 | 120.4 | ||||
| 780 | I | 29.8 | Very low | 28.7 | Very low | 159 Ų | 159 | 121 Ų | 121 | 82% | 0.815 | 73% | 0.729 | S | S | * | * | trans | -65.7 | 141.4 | 153.3 | -59.2 | 165.8 | 0 | 0 | 0 | 108.7 | ||||
| 781 | Y | 24.2 | Very low | 28.8 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 50% | 0.502 | 73% | 0.727 | S | S | . | * | trans | -150 | 137.6 | 158.3 | -102.8 | -80.3 | 0 | 0 | 0 | 109.5 | S1208 | Y781-S1208 WeakPolarHBondContact CE1-OG 3.31Å; Y781-S1208 PolarHBondContact OH-O 3.45Å | ||
| 782 | S | 28.9 | Very low | 28.7 | Very low | 99 Ų | 99 | 124 Ų | 124 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | trans | -127.5 | 120.6 | -178.3 | 45.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 783 | F | 26 | Very low | 28.3 | Very low | 192 Ų | 192 | 127.8 Ų | 127.8 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | trans | -70.6 | 169.5 | 178.3 | -72.8 | -110.9 | 0 | 0 | 0 | 112.1 | ||||
| 784 | S | 26.8 | Very low | 28.2 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | cis | 176.2 | -136.2 | -18 | -75 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 785 | P | 40.5 | Very low | 28 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | cis | -120.1 | -144.6 | -31.3 | 40.4 | -19.1 | 0 | 0 | 0 | 109.6 | ||||
| 786 | P | 35.7 | Very low | 28 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | cis | -136.7 | -171 | -11.7 | 42.1 | -22.3 | 0 | 0 | 0 | 116.5 | ||||
| 787 | A | 32.2 | Very low | 28 | Very low | 83 Ų | 83 | 131.9 Ų | 131.9 | 69% | 0.686 | 73% | 0.731 | S | S | * | * | trans | 24.6 | 116.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 788 | S | 27.5 | Very low | 28.2 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | cis | 77.1 | 126.3 | 36.5 | 96.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 789 | P | 40.6 | Very low | 28.4 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | -145 | 179.5 | 87.9 | 41.4 | -26.5 | 0 | 0 | 0 | 113.4 | |||||
| 790 | K | 29.9 | Very low | 28.7 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | cis | -171.9 | 164.5 | -25.2 | -99.4 | -179.8 | 178.6 | -179.6 | 0 | 106.6 | ||||
| 791 | H | 29.9 | Very low | 28.8 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 73% | 0.731 | 72% | 0.722 | S | S | * | * | trans | 66.8 | 124.1 | 171.3 | -62.1 | -68.4 | 0 | 0 | 0 | 115.1 | ||||
| 792 | S | 25.6 | Very low | 29.2 | Very low | 83 Ų | 83 | 128.8 Ų | 128.8 | 58% | 0.58 | 73% | 0.726 | S | S | * | * | cis | 71.3 | 109.8 | 42.4 | 87.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 793 | F | 29.1 | Very low | 29.2 | Very low | 201 Ų | 201 | 133.3 Ų | 133.3 | 88% | 0.882 | 73% | 0.728 | S | S | * | * | -164.4 | 153.4 | 115 | -108.2 | -70.7 | 0 | 0 | 0 | 111 | |||||
| 794 | S | 24 | Very low | 29.3 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | trans | -93.3 | 145.8 | 178.2 | 45.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 795 | N | 23.1 | Very low | 29.4 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | 50.7 | 103.7 | 147.8 | -68.1 | -5.9 | 0 | 0 | 0 | 120.4 | ||||
| 796 | S | 23.2 | Very low | 28.5 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | 103.3 | 150.2 | 102.7 | 78.1 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 797 | R | 23.1 | Very low | 28 | Very low | 239 Ų | 239 | 135.6 Ų | 135.6 | 90% | 0.902 | 72% | 0.718 | S | S | * | * | trans | 70.7 | 155.1 | 162.7 | -67.2 | 166.4 | 170.2 | 166.4 | -4.1 | 115 | ||||
| 798 | S | 25.1 | Very low | 27.8 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | cis | -135.2 | 178.5 | 8.3 | 74 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 799 | D | 26.8 | Very low | 27.6 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | cis | -157.4 | 168.6 | 18 | -133.3 | -39.8 | 0 | 0 | 0 | 114.5 | ||||
| 800 | V | 31.9 | Very low | 26.9 | Very low | 106 Ų | 106 | 136 Ų | 136 | 64% | 0.642 | 72% | 0.716 | S | S | * | * | trans | 63.6 | 109.5 | 165.6 | -178.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 801 | N | 32 | Very low | 26.6 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 73% | 0.733 | 71% | 0.711 | S | S | * | * | trans | 62.1 | 143.6 | 154.4 | -59 | -0.8 | 0 | 0 | 0 | 118.8 | ||||
| 802 | D | 31 | Very low | 26.5 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 58% | 0.583 | 71% | 0.711 | S | S | * | * | cis | -172 | 151.5 | -20.6 | -116.1 | 19.3 | 0 | 0 | 0 | 105.2 | ||||
| 803 | R | 29.8 | Very low | 26.6 | Very low | 193 Ų | 193 | 133 Ų | 133 | 73% | 0.728 | 72% | 0.722 | S | S | * | * | cis | -158 | 155.3 | -10.1 | -131.6 | 176.5 | -179.6 | 113.7 | -5.5 | 108.6 | ||||
| 804 | T | 27.7 | Very low | 26.5 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 66% | 0.656 | 71% | 0.706 | S | S | * | * | trans | 4.7 | 155.1 | 137.6 | 65.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 805 | T | 28.1 | Very low | 26.7 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 66% | 0.663 | 71% | 0.706 | S | S | * | * | cis | -167.4 | 145.6 | 26.5 | -11.4 | 0 | 0 | 0 | 0 | 106.4 | Y807 | T805-Y807 HydrophobicContact CG2-CD2 4.43Š| ||
| 806 | Q | 22.5 | Very low | 27 | Very low | 153 Ų | 153 | 126.7 Ų | 126.7 | 72% | 0.715 | 70% | 0.695 | S | S | * | * | 53.1 | 135.5 | 55.7 | -98.2 | -166.9 | -3.8 | 0 | 0 | 115.1 | |||||
| 807 | Y | 24.8 | Very low | 27.1 | Very low | 203 Ų | 203 | 127.2 Ų | 127.2 | 80% | 0.796 | 69% | 0.694 | S | S | * | * | trans | 65.7 | 145.2 | -177.7 | -53.6 | -85.6 | 0 | 0 | 0 | 114.1 | T805 | T805-Y807 HydrophobicContact CG2-CD2 4.43Š| ||
| 808 | V | 28.4 | Very low | 27.4 | Very low | 129 Ų | 129 | 124 Ų | 124 | 78% | 0.782 | 69% | 0.69 | S | S | * | * | cis | -144.1 | 176.6 | -1.1 | 89.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 809 | A | 23.4 | Very low | 27.5 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 62% | 0.62 | 70% | 0.701 | S | S | * | * | trans | -48.4 | 173.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 810 | C | 25.3 | Very low | 27.6 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 76% | 0.757 | 71% | 0.709 | S | S | * | * | cis | -166.3 | -179.9 | 31.8 | -153.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 811 | S | 24.3 | Very low | 27.4 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | trans | 45.5 | 103.2 | 147.5 | 60.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 812 | S | 26.7 | Very low | 27.1 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | 116 | 162.1 | 85.9 | 67.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 813 | L | 29 | Very low | 26.9 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 81% | 0.806 | 72% | 0.72 | S | S | * | * | cis | -145.1 | -179.8 | 5.9 | -157.4 | 70 | 0 | 0 | 0 | 110 | ||||
| 814 | S | 26.2 | Very low | 26.7 | Very low | 79 Ų | 79 | 133.5 Ų | 133.5 | 55% | 0.552 | 71% | 0.707 | S | S | * | * | trans | -17.7 | 154 | 156.2 | 56.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 815 | R | 28.9 | Very low | 26.6 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 68% | 0.679 | 72% | 0.719 | S | S | * | * | cis | -162.4 | 164.5 | 6.1 | -102 | 148.6 | -174.9 | 176.8 | 4.7 | 105.1 | F705 L706 | F705-R815 HydrophobicContact CZ-CG 4.19Å; L706-R815 VanDerWaalsContact CD1-NH2 3.34Å | ||
| 816 | G | 28 | Very low | 26.5 | Very low | 54 Ų | 54 | 134.9 Ų | 134.9 | 56% | 0.557 | 71% | 0.709 | S | S | * | * | cis | 131.8 | 140.3 | 7.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 817 | V | 27.2 | Very low | 26.7 | Very low | 101 Ų | 101 | 134 Ų | 134 | 61% | 0.612 | 71% | 0.714 | S | S | * | * | trans | 73.2 | 134 | -175.4 | -171.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 818 | E | 28 | Very low | 26.7 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 81% | 0.808 | 71% | 0.714 | S | S | * | * | cis | -136.5 | 146.4 | 4.4 | -148.5 | 156.9 | -113.3 | 0 | 0 | 111.2 | ||||
| 819 | K | 27.7 | Very low | 26.6 | Very low | 206 Ų | 206 | 131.4 Ų | 131.4 | 90% | 0.896 | 72% | 0.716 | S | S | * | * | trans | -130.3 | 105.6 | 171.1 | -83.6 | -169.7 | 175.6 | -178 | 0 | 111.3 | ||||
| 820 | R | 29.3 | Very low | 26.6 | Very low | 239 Ų | 239 | 133 Ų | 133 | 90% | 0.902 | 72% | 0.722 | S | S | * | * | trans | -71.2 | 126.7 | 160.9 | -95.5 | -179.7 | 163.7 | 145.8 | -4.6 | 109.6 | R822 | R820-R822 PolarHBondContact O-N 2.89Å; R820-R822 VanDerWaalsContact O-N 3.12Å | ||
| 821 | T | 26.9 | Very low | 26.5 | Very low | 131 Ų | 131 | 133 Ų | 133 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -76.5 | 94.1 | 177.6 | 46.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 822 | R | 26.7 | Very low | 26.6 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 48% | 0.483 | 74% | 0.735 | S | S | . | * | trans | -90 | 105.8 | 163.9 | -81.9 | -177.6 | 152.6 | -143.4 | -6.2 | 110.4 | R820 S824 E1847 | R820-R822 PolarHBondContact O-N 2.89Å; R820-R822 VanDerWaalsContact O-N 3.12Å; R822-S824 PolarHBondContact O-N 3.43Å; R822-S824 VanDerWaalsContact O-N 3.1Å; R822-E1847 WeakPolarHBondContact CD-OE1 3.47Å; R822-E1847 VanDerWaalsContact CZ-CG 3.48Å; R822-E1847 IonicContact CZ-OE1 3.63Å; R822-E1847 VanDerWaalsContact CZ-OE1 3.24Å; R822-E1847 IonicContact NE-OE1 2.66Å; R822-E1847 PolarHBondContact NE-OE1 3.26Å; R822-E1847 IonicContact NH1-OE1 2.8Å; R822-E1847 PolarHBondContact NH1-OE1 3.47Å | ||
| 823 | F | 27.1 | Very low | 26.7 | Very low | 209 Ų | 209 | 135.7 Ų | 135.7 | 92% | 0.917 | 73% | 0.729 | S | S | * | * | trans | -61.8 | 112.1 | 162.9 | -84.2 | -83.1 | 0 | 0 | 0 | 108.5 | ||||
| 824 | S | 25.2 | Very low | 26.6 | Very low | 64 Ų | 64 | 134 Ų | 134 | 45% | 0.448 | 73% | 0.725 | S | S | . | * | trans | -119.4 | 106.5 | 177.1 | 40.7 | 0 | 0 | 0 | 0 | 109.1 | R822 S826 K1843 | R822-S824 PolarHBondContact O-N 3.43Å; R822-S824 VanDerWaalsContact O-N 3.1Å; S824-S826 PolarHBondContact O-N 3.45Å; S824-K1843 PolarHBondContact OG-NZ 2.9Å | ||
| 825 | I | 26 | Very low | 26.6 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 90% | 0.903 | 74% | 0.738 | S | S | * | * | trans | -75.7 | 83.3 | 169.9 | -59.1 | 179.9 | 0 | 0 | 0 | 107.3 | ||||
| 826 | S | 24 | Very low | 26.6 | Very low | 67 Ų | 67 | 135.3 Ų | 135.3 | 47% | 0.469 | 74% | 0.739 | S | S | . | * | trans | -126.1 | 80.4 | 173.3 | 64.9 | 0 | 0 | 0 | 0 | 108.4 | S824 K1843 | S824-S826 PolarHBondContact O-N 3.45Å; S826-K1843 VanDerWaalsContact OG-CE 3.24Å; S826-K1843 WeakPolarHBondContact OG-CE 3.46Å; S826-K1843 PolarHBondContact OG-NZ 3.27Å | ||
| 827 | V | 28 | Very low | 26.5 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -117.4 | 85.6 | 172.9 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 828 | L | 25.1 | Very low | 26.4 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | -113.4 | 133.9 | 149.8 | -84.1 | 169.9 | 0 | 0 | 0 | 106.3 | S830 | L828-S830 PolarHBondContact O-N 2.9Š| ||
| 829 | P | 25.1 | Very low | 26.5 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | -81.5 | 112.9 | -177.7 | 31.1 | -32.5 | 0 | 0 | 0 | 110.9 | ||||
| 830 | S | 23.4 | Very low | 26.3 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | -142.5 | 94.5 | 170.1 | 50.7 | 0 | 0 | 0 | 0 | 112 | L828 | L828-S830 PolarHBondContact O-N 2.9Š| ||
| 831 | S | 24.2 | Very low | 26.2 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | trans | -165.1 | 108.8 | 158.6 | 28.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 832 | N | 27 | Very low | 26.3 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | trans | 179.8 | 133.6 | 143 | -90.8 | -30.8 | 0 | 0 | 0 | 106.8 | ||||
| 833 | S | 28.7 | Very low | 26.3 | Very low | 89 Ų | 89 | 133.2 Ų | 133.2 | 62% | 0.622 | 75% | 0.748 | S | S | * | * | cis | -147.1 | 132.5 | -0.1 | 58.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 834 | V | 25.4 | Very low | 27 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | 58.4 | 90.6 | 80.7 | -175 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 835 | R | 27.1 | Very low | 27.2 | Very low | 222 Ų | 222 | 131.8 Ų | 131.8 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | trans | 176.2 | 157 | 137.7 | -102.8 | 161.3 | -76.8 | -157.4 | 0.4 | 110 | ||||
| 836 | G | 29.2 | Very low | 27.5 | Very low | 66 Ų | 66 | 131.5 Ų | 131.5 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | cis | -132.3 | 159.9 | -8.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 837 | F | 24.8 | Very low | 27.7 | Very low | 202 Ų | 202 | 131.4 Ų | 131.4 | 89% | 0.886 | 76% | 0.756 | S | S | * | * | 76.4 | 98.5 | 59.6 | -89.9 | -68.2 | 0 | 0 | 0 | 115.4 | |||||
| 838 | E | 26.2 | Very low | 27.7 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -133.6 | 150.1 | 160.6 | -89.4 | -171.3 | -148.4 | 0 | 0 | 106.3 | ||||
| 839 | N | 28.7 | Very low | 27.8 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 66% | 0.658 | 76% | 0.757 | S | S | * | * | cis | -150.2 | 136.6 | 9.6 | -109.2 | -37.2 | 0 | 0 | 0 | 113.4 | ||||
| 840 | S | 25.3 | Very low | 28 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | 66.4 | 159.1 | 139.7 | 89.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 841 | S | 25.8 | Very low | 28.2 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | cis | -159.6 | 167.1 | 8.8 | 62.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 842 | L | 28.6 | Very low | 28.4 | Very low | 146 Ų | 146 | 135.9 Ų | 135.9 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | trans | 73.1 | 88.5 | 148.6 | -71.8 | 160.5 | 0 | 0 | 0 | 124.3 | ||||
| 843 | I | 28.2 | Very low | 28.3 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | 30.2 | 127 | 106.4 | -53.9 | 164.4 | 0 | 0 | 0 | 119.2 | |||||
| 844 | P | 41.3 | Very low | 28.3 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | -146.9 | 163.6 | 107.6 | 31.2 | -12.4 | 0 | 0 | 0 | 115.7 | |||||
| 845 | D | 30.2 | Very low | 28.2 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | cis | -169.1 | 168.2 | -27.7 | -153.7 | -23.4 | 0 | 0 | 0 | 110.5 | ||||
| 846 | H | 30.5 | Very low | 28.2 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | 71.1 | 139.8 | 162.5 | -56.4 | -8.5 | 0 | 0 | 0 | 120.2 | ||||
| 847 | G | 29.4 | Very low | 28 | Very low | 64 Ų | 64 | 141.1 Ų | 141.1 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | cis | 157.9 | 143.8 | -12.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 848 | F | 26.6 | Very low | 28.1 | Very low | 198 Ų | 198 | 142.5 Ų | 142.5 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | trans | 168.9 | 104.1 | 153.5 | -100.1 | -72.9 | 0 | 0 | 0 | 106.9 | ||||
| 849 | M | 27.7 | Very low | 28 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | 65.8 | 121 | 75.3 | -144.6 | -179.5 | 71 | 0 | 0 | 112.1 | |||||
| 850 | V | 29.8 | Very low | 28 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 61% | 0.606 | 76% | 0.76 | S | S | * | * | -171.4 | 139.1 | 74.4 | 156.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 851 | Q | 28 | Very low | 28.2 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | 30.2 | 162 | 145.1 | -60.6 | 169.3 | -11.6 | 0 | 0 | 123.6 | ||||
| 852 | S | 27.3 | Very low | 28.3 | Very low | 95 Ų | 95 | 143.8 Ų | 143.8 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | cis | -176.2 | 151.9 | -29.7 | 63 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 853 | K | 26.5 | Very low | 28.3 | Very low | 193 Ų | 193 | 146.3 Ų | 146.3 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | trans | 27.2 | 135.6 | 147 | -59.5 | -179.8 | 177.9 | -177.3 | 0 | 120.9 | ||||
| 854 | I | 27.9 | Very low | 28.4 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 88% | 0.882 | 75% | 0.752 | S | S | * | * | -170.8 | 157.1 | 103.9 | -97.2 | 160.4 | 0 | 0 | 0 | 110.3 | |||||
| 855 | S | 24.2 | Very low | 27.7 | Very low | 103 Ų | 103 | 143.5 Ų | 143.5 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | trans | -153.7 | 130.2 | -176.5 | 55 | 0 | 0 | 0 | 0 | 110 | ||||
| 856 | E | 26.6 | Very low | 27.7 | Very low | 190 Ų | 190 | 144 Ų | 144 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | trans | -168.1 | -176.9 | 159.5 | -116.6 | 168.3 | -140.8 | 0 | 0 | 112.9 | ||||
| 857 | T | 24.7 | Very low | 27.5 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | -142.3 | -175.6 | -126.2 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 858 | R | 26.1 | Very low | 27.6 | Very low | 230 Ų | 230 | 146.6 Ų | 146.6 | 87% | 0.868 | 76% | 0.76 | S | S | * | * | trans | 80.5 | 152 | 169.9 | -63.7 | 176.5 | 167.2 | 175.3 | -2.7 | 117.2 | ||||
| 859 | C | 25.1 | Very low | 27.6 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | cis | -173.7 | 176.2 | -30.4 | -105.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 860 | V | 28.3 | Very low | 27.5 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 91.5 | 99.2 | 154.8 | -166.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 861 | K | 29 | Very low | 27.4 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | trans | 66.3 | 151.5 | 146.7 | -64.1 | 173.9 | 168 | -106.6 | 0 | 118.5 | ||||
| 862 | E | 29 | Very low | 27.1 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 55% | 0.551 | 76% | 0.762 | S | S | * | * | cis | -167.2 | 160.1 | -12.2 | -111.8 | 179.1 | -103.5 | 0 | 0 | 106.3 | ||||
| 863 | R | 28.8 | Very low | 26.8 | Very low | 199 Ų | 199 | 145.2 Ų | 145.2 | 75% | 0.751 | 77% | 0.767 | S | S | * | * | cis | -164.4 | 158.7 | 1.8 | -174.4 | -167.9 | -62.8 | 171.4 | 0.5 | 108.6 | ||||
| 864 | S | 28.8 | Very low | 26.6 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 65.9 | 143.2 | 161.7 | 36.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 865 | S | 27.4 | Very low | 26.4 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | -172.2 | 157.2 | -13.7 | 48.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 866 | V | 29.6 | Very low | 26.5 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | trans | 86.9 | 92.6 | 161 | -163.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 867 | H | 26.3 | Very low | 26.4 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | 46.3 | 130.2 | 136.1 | -90.1 | -84.1 | 0 | 0 | 0 | 125.6 | ||||
| 868 | P | 32.4 | Very low | 26.4 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | trans | -125.6 | 175 | 174 | 43.7 | -32.5 | 0 | 0 | 0 | 117.2 | ||||
| 869 | S | 26.6 | Very low | 26.3 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | 48.4 | 134.3 | 146.6 | 58.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 870 | V | 25.5 | Very low | 26.3 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | cis | 74.5 | 111.1 | 39.4 | -173.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 871 | V | 26.8 | Very low | 26.1 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 75% | 0.745 | 76% | 0.761 | S | S | * | * | -169.6 | 159.1 | 91.1 | 164.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 872 | R | 21.7 | Very low | 26 | Very low | 229 Ų | 229 | 135.6 Ų | 135.6 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | -20.2 | 160.5 | 161.5 | -57.4 | 175.4 | 176.5 | 116.1 | -2.3 | 119 | ||||
| 873 | C | 22.6 | Very low | 25.7 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | cis | -162.4 | 166.4 | 14.7 | -135.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 874 | S | 21.5 | Very low | 25.6 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | 57.3 | 112.2 | 153.8 | 55.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 875 | S | 22.9 | Very low | 25.5 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 60 | 120.1 | 134.2 | -50.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 876 | I | 27.5 | Very low | 25.5 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 91% | 0.908 | 77% | 0.77 | S | S | * | * | trans | -176.5 | 168.3 | 132 | -97.4 | 161.4 | 0 | 0 | 0 | 109.6 | ||||
| 877 | D | 23.7 | Very low | 25.4 | Very low | 139 Ų | 139 | 138 Ų | 138 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | -98.5 | 157.3 | -155.9 | -107.3 | -48.5 | 0 | 0 | 0 | 119.3 | ||||
| 878 | L | 24.6 | Very low | 25.5 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | trans | 58.2 | 125.4 | 147.4 | -70 | 170.3 | 0 | 0 | 0 | 124.4 | ||||
| 879 | F | 23.6 | Very low | 25.6 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | trans | 64.3 | 148.3 | 164.7 | -56.8 | -69.5 | 0 | 0 | 0 | 116.6 | ||||
| 880 | Q | 25.3 | Very low | 25.6 | Very low | 181 Ų | 181 | 139.2 Ų | 139.2 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | cis | -141.4 | 172.2 | 10.7 | -164.7 | 165.3 | -25.8 | 0 | 0 | 111.7 | ||||
| 881 | S | 24 | Very low | 25.8 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -71.4 | 139.4 | -175.1 | 56 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 882 | G | 26.8 | Very low | 25.7 | Very low | 69 Ų | 69 | 141 Ų | 141 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | -178.4 | 108.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 883 | L | 24.1 | Very low | 26 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | 18.6 | 145.8 | 121.8 | -54.1 | 175.1 | 0 | 0 | 0 | 118.3 | |||||
| 884 | I | 25.9 | Very low | 26.1 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 65% | 0.651 | 78% | 0.78 | S | S | * | * | cis | -165.8 | 172.8 | 18.4 | -131.5 | 165.5 | 0 | 0 | 0 | 114 | ||||
| 885 | N | 27.6 | Very low | 26.4 | Very low | 129 Ų | 129 | 150.4 Ų | 150.4 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | trans | -21 | 162.7 | 163.5 | -34.6 | -30 | 0 | 0 | 0 | 120.3 | ||||
| 886 | H | 26.1 | Very low | 26.4 | Very low | 169 Ų | 169 | 153 Ų | 153 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -147.6 | 124.5 | 145.4 | -99.7 | -71.2 | 0 | 0 | 0 | 115.5 | ||||
| 887 | S | 28.1 | Very low | 26.4 | Very low | 115 Ų | 115 | 153 Ų | 153 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 162.7 | 143.7 | 133.1 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 888 | N | 28.2 | Very low | 26.6 | Very low | 140 Ų | 140 | 153.5 Ų | 153.5 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | cis | -154.9 | 158.3 | -41.2 | -115.4 | 5 | 0 | 0 | 0 | 109.3 | ||||
| 889 | P | 34.5 | Very low | 26.9 | Very low | 113 Ų | 113 | 151 Ų | 151 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -106.4 | 165.6 | -167.5 | 40 | -35.8 | 0 | 0 | 0 | 116.1 | ||||
| 890 | L | 26.6 | Very low | 27.3 | Very low | 161 Ų | 161 | 150.5 Ų | 150.5 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -179.3 | 154.7 | 161.8 | -102.8 | 166 | 0 | 0 | 0 | 107.2 | ||||
| 891 | T | 29.3 | Very low | 27.6 | Very low | 123 Ų | 123 | 150.2 Ų | 150.2 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | cis | -145.6 | 179.2 | 4.2 | -37.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 892 | E | 25.7 | Very low | 28 | Very low | 171 Ų | 171 | 149.7 Ų | 149.7 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -84.7 | 149.9 | -179 | -47.7 | 167.8 | 137.4 | 0 | 0 | 115.3 | ||||
| 893 | R | 27.1 | Very low | 28.2 | Very low | 241 Ų | 241 | 153.4 Ų | 153.4 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | -177.3 | 151.3 | 110.8 | -102.7 | -178.8 | -179.8 | 176.2 | 1.7 | 114.3 | |||||
| 894 | E | 24.2 | Very low | 28.5 | Very low | 179 Ų | 179 | 151.9 Ų | 151.9 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -87.9 | 161.7 | 177.5 | -50 | 174.4 | 107.4 | 0 | 0 | 113.1 | ||||
| 895 | Y | 27.6 | Very low | 28.7 | Very low | 223 Ų | 223 | 152.4 Ų | 152.4 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | -164.1 | 160.7 | 120.2 | -113 | -77.5 | 0 | 0 | 0 | 112 | |||||
| 896 | K | 24.3 | Very low | 28.6 | Very low | 170 Ų | 170 | 155.9 Ų | 155.9 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | -79.1 | 157.4 | -169.7 | -53.2 | 169 | -178.3 | 176.5 | 0 | 113.9 | ||||
| 897 | F | 28.2 | Very low | 28.6 | Very low | 176 Ų | 176 | 153.7 Ų | 153.7 | 77% | 0.772 | 79% | 0.785 | S | S | * | * | -177.2 | 143.6 | 102.4 | -112.5 | -89.5 | 0 | 0 | 0 | 114.1 | |||||
| 898 | D | 27.6 | Very low | 28.4 | Very low | 149 Ų | 149 | 153.7 Ų | 153.7 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | 26.5 | 147.3 | 162.3 | -61.4 | -9.1 | 0 | 0 | 0 | 124.1 | ||||
| 899 | G | 30.8 | Very low | 28.1 | Very low | 73 Ų | 73 | 151.5 Ų | 151.5 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -174.5 | -18.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 900 | H | 30.9 | Very low | 27.7 | Very low | 175 Ų | 175 | 153.7 Ų | 153.7 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | 65.9 | 128.5 | 173.9 | -77.4 | -50.6 | 0 | 0 | 0 | 121.4 | ||||
| 901 | K | 32.8 | Very low | 28.2 | Very low | 175 Ų | 175 | 151.4 Ų | 151.4 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | 74.9 | 104.6 | 137.4 | -69.4 | 177.1 | 180 | 179.4 | 0 | 121.7 | ||||
| 902 | S | 31.5 | Very low | 27.9 | Very low | 102 Ų | 102 | 152 Ų | 152 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | 65.4 | 142 | 123.7 | 67.1 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 903 | N | 31 | Very low | 27.9 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | cis | -170.8 | 165.7 | -13.6 | -118 | 19.4 | 0 | 0 | 0 | 110.3 | ||||
| 904 | L | 31.5 | Very low | 27.9 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | trans | 71.8 | 104.1 | 156.3 | -65 | 160.9 | 0 | 0 | 0 | 120.4 | ||||
| 905 | D | 28.8 | Very low | 28.2 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | 70.3 | 102.1 | 116.8 | -56.3 | 2.6 | 0 | 0 | 0 | 122.9 | |||||
| 906 | F | 25.5 | Very low | 28.2 | Very low | 202 Ų | 202 | 139.6 Ų | 139.6 | 89% | 0.886 | 76% | 0.757 | S | S | * | * | 7.6 | 133.9 | 117.4 | -90.8 | -91.5 | 0 | 0 | 0 | 119.4 | |||||
| 907 | V | 26.2 | Very low | 28.4 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 75% | 0.745 | 76% | 0.757 | S | S | * | * | 162 | 137.9 | 110.1 | 161.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 908 | S | 23.5 | Very low | 28.4 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 73.7 | -179.3 | 161.7 | 78.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 909 | S | 23.4 | Very low | 28.4 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | trans | -82.6 | 138.3 | -154.4 | 50.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 910 | I | 25.2 | Very low | 28.3 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 82% | 0.815 | 74% | 0.74 | S | S | * | * | trans | 67 | 137.6 | 155.9 | -55.5 | 164.6 | 0 | 0 | 0 | 115.2 | ||||
| 911 | P | 37.4 | Very low | 28.5 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | cis | -122.6 | -135.4 | -24.3 | 40 | -24.1 | 0 | 0 | 0 | 111.2 | ||||
| 912 | V | 23.9 | Very low | 28.3 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | 108.3 | 140.8 | 161.2 | -173.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 913 | S | 24.2 | Very low | 28.2 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | trans | -68.2 | 140.9 | -165.1 | -52.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 914 | N | 26.7 | Very low | 28.2 | Very low | 133 Ų | 133 | 135.7 Ų | 135.7 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | 48.8 | 123.3 | 130.8 | -79.6 | -58.5 | 0 | 0 | 0 | 123.3 | ||||
| 915 | K | 31.9 | Very low | 28.3 | Very low | 189 Ų | 189 | 136.4 Ų | 136.4 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | 64.6 | 125 | 128 | -64.2 | 179 | -179.8 | -173.7 | 0 | 122.2 | |||||
| 916 | M | 26.7 | Very low | 28.2 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 67% | 0.665 | 75% | 0.748 | S | S | * | * | -161 | 163.8 | 127.7 | -111.3 | 167.6 | 29.5 | 0 | 0 | 108 | R918 | M916-R918 HydrophobicContact CG-CG 4.19Å; M916-R918 HydrophobicContact SD-CG 4.49Å; M916-R918 PolarHBondContact SD-NE 3.47Å; M916-R918 VanDerWaalsContact SD-NE 3.37Å | |||
| 917 | L | 28.3 | Very low | 28.5 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | cis | -132 | 140.4 | 26.6 | -72.2 | 163.5 | 0 | 0 | 0 | 110.1 | ||||
| 918 | R | 27.8 | Very low | 28.5 | Very low | 181 Ų | 181 | 140.2 Ų | 140.2 | 68% | 0.683 | 75% | 0.751 | S | S | * | * | 85.8 | 152.6 | 63.8 | -72.5 | -165 | -171.2 | -160.1 | 3.7 | 114.6 | M916 | M916-R918 HydrophobicContact CG-CG 4.19Å; M916-R918 HydrophobicContact SD-CG 4.49Å; M916-R918 PolarHBondContact SD-NE 3.47Å; M916-R918 VanDerWaalsContact SD-NE 3.37Å | |||
| 919 | S | 27.9 | Very low | 28.5 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | cis | -150.6 | 176.7 | 13 | -20.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 920 | D | 28.9 | Very low | 28.6 | Very low | 93 Ų | 93 | 140.9 Ų | 140.9 | 50% | 0.497 | 75% | 0.754 | S | S | . | * | cis | -151.9 | -27.3 | -11 | -160.4 | -123.6 | 0 | 0 | 0 | 113.1 | K922 | D920-K922 PolarHBondContact O-N 3.32Å; D920-K922 WeakPolarHBondContact OD1-CE 3.34Å; D920-K922 IonicContact OD1-NZ 2.74Å; D920-K922 PolarHBondContact OD1-NZ 3.43Å | ||
| 921 | D | 35 | Very low | 28.6 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | trans | -68.7 | 83.8 | -154.1 | -75.4 | -17.7 | 0 | 0 | 0 | 118 | ||||
| 922 | K | 29.2 | Very low | 28.1 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | 33.5 | 153.2 | 106 | -73.7 | 176.6 | -176.3 | 145.3 | 0 | 121.4 | D920 | D920-K922 PolarHBondContact O-N 3.32Å; D920-K922 WeakPolarHBondContact OD1-CE 3.34Å; D920-K922 IonicContact OD1-NZ 2.74Å; D920-K922 PolarHBondContact OD1-NZ 3.43Å | |||
| 923 | P | 29.5 | Very low | 28 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | cis | -149.4 | 112.2 | -42.1 | 37.2 | -16.2 | 0 | 0 | 0 | 114.7 | ||||
| 924 | T | 31.1 | Very low | 28.2 | Very low | 138 Ų | 138 | 141 Ų | 141 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | -158.2 | 139.7 | 162.4 | 8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 925 | I | 32.3 | Very low | 28 | Very low | 148 Ų | 148 | 143 Ų | 143 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | 55.1 | 99.6 | 156.3 | -54.7 | 172.6 | 0 | 0 | 0 | 118.4 | ||||
| 926 | Q | 27.6 | Very low | 27.8 | Very low | 183 Ų | 183 | 140 Ų | 140 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | 24 | 115.4 | 137.4 | -66.7 | -179.9 | -32.1 | 0 | 0 | 120.5 | ||||
| 927 | P | 32.3 | Very low | 27.8 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -92.1 | 152 | 158 | 35.6 | -32 | 0 | 0 | 0 | 113.4 | ||||
| 928 | R | 24.9 | Very low | 27.6 | Very low | 236 Ų | 236 | 136.1 Ų | 136.1 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | trans | 55.6 | 102 | 153.5 | -81.1 | -174.1 | 174.4 | 170.8 | -0.4 | 120 | ||||
| 929 | C | 25.3 | Very low | 27.6 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | 135.6 | 139.4 | 107.3 | -81.5 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 930 | S | 23.9 | Very low | 27.4 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 71.9 | 123 | 151.5 | 41.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 931 | S | 25.3 | Very low | 27.3 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 93.8 | 165.5 | 142.7 | 81.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 932 | L | 26.7 | Very low | 26.9 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | 79.5 | 108.6 | -171.7 | -52 | 175 | 0 | 0 | 0 | 114.7 | ||||
| 933 | T | 23.4 | Very low | 26.6 | Very low | 129 Ų | 129 | 127 Ų | 127 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | cis | 88.3 | 84.3 | 34.3 | 76.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 934 | S | 27.4 | Very low | 26.4 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -146 | 127.6 | 138.4 | 50.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 935 | L | 22 | Very low | 26.3 | Very low | 175 Ų | 175 | 127.4 Ų | 127.4 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | 58.9 | 80.3 | 73.3 | -90.4 | 168.1 | 0 | 0 | 0 | 113.5 | |||||
| 936 | C | 28.8 | Very low | 26 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | trans | -156.4 | 152.6 | 139.8 | -125.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 937 | A | 25.7 | Very low | 25.8 | Very low | 85 Ų | 85 | 123.8 Ų | 123.8 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | trans | -43.2 | 167.1 | 152 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 938 | S | 23.9 | Very low | 25.5 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | cis | -170.6 | 169.1 | 0.5 | 29 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 939 | A | 28.8 | Very low | 25.3 | Very low | 86 Ų | 86 | 123.9 Ų | 123.9 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 66.4 | 130.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | I941 | A939-I941 HydrophobicContact CB-CG1 4.07Š| ||
| 940 | G | 22.7 | Very low | 25.4 | Very low | 85 Ų | 85 | 129.3 Ų | 129.3 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | cis | 86.6 | 56.7 | 3.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 941 | I | 28.2 | Very low | 25.5 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -134.8 | 147.2 | 170.3 | -44.4 | -178.7 | 0 | 0 | 0 | 108.4 | A939 | A939-I941 HydrophobicContact CB-CG1 4.07Š| ||
| 942 | S | 25.6 | Very low | 25.6 | Very low | 82 Ų | 82 | 136 Ų | 136 | 57% | 0.573 | 77% | 0.772 | S | S | * | * | trans | -26.1 | 131.7 | 175 | 58.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 943 | S | 23.2 | Very low | 25.5 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | 52.9 | 81.9 | 62.9 | 81 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 944 | L | 26.4 | Very low | 25.6 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -149.7 | 87.8 | 168.5 | -134.7 | 166.5 | 0 | 0 | 0 | 113.3 | A946 | L944-A946 HydrophobicContact CD2-CB 4.44Å; L944-A946 PolarHBondContact O-N 3.2Å | ||
| 945 | P | 27.3 | Very low | 25.6 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -76 | 98.5 | 164 | 31.3 | -31.1 | 0 | 0 | 0 | 109.8 | ||||
| 946 | A | 26.7 | Very low | 25.6 | Very low | 84 Ų | 84 | 138.3 Ų | 138.3 | 69% | 0.694 | 76% | 0.763 | S | S | * | * | trans | -92.4 | 108.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | L944 | L944-A946 HydrophobicContact CD2-CB 4.44Å; L944-A946 PolarHBondContact O-N 3.2Å | ||
| 947 | H | 22.6 | Very low | 25.6 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | cis | 55.1 | 62.5 | 43.6 | -113.6 | -65.6 | 0 | 0 | 0 | 112.1 | ||||
| 948 | R | 26.1 | Very low | 25.6 | Very low | 249 Ų | 249 | 138.7 Ų | 138.7 | 94% | 0.94 | 75% | 0.749 | S | S | * | * | trans | -102.8 | 99.8 | 166.3 | -140.7 | 177.6 | -159.9 | -174 | 6.3 | 110.6 | R950 | R948-R950 PolarHBondContact O-N 2.85Š| ||
| 949 | V | 22.3 | Very low | 25.6 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | trans | -67.7 | 120.2 | 175.9 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 950 | R | 26.6 | Very low | 25.5 | Very low | 227 Ų | 227 | 140.5 Ų | 140.5 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | trans | -154.6 | 116.9 | 143.1 | -96.4 | 178.1 | -176 | -172.4 | -1.7 | 106.5 | R948 | R948-R950 PolarHBondContact O-N 2.85Š| ||
| 951 | R | 25.5 | Very low | 25.8 | Very low | 199 Ų | 199 | 140.7 Ų | 140.7 | 75% | 0.751 | 74% | 0.739 | S | S | * | * | 83.9 | 125.5 | 60.9 | -81.7 | -169.2 | -174.8 | -176.2 | 1.2 | 112.5 | |||||
| 952 | H | 27.5 | Very low | 25.7 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | 60.9 | 117.6 | 165.6 | -61.8 | -64.9 | 0 | 0 | 0 | 116.6 | ||||
| 953 | S | 24.1 | Very low | 25.9 | Very low | 82 Ų | 82 | 145.2 Ų | 145.2 | 57% | 0.573 | 75% | 0.753 | S | S | * | * | cis | 97.6 | 119.3 | 33.7 | 72.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 954 | Q | 26.1 | Very low | 26 | Very low | 187 Ų | 187 | 147.3 Ų | 147.3 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | trans | 62.4 | 124.5 | 165.4 | -59.8 | 169.8 | -25.8 | 0 | 0 | 114.8 | ||||
| 955 | K | 26.6 | Very low | 26.1 | Very low | 172 Ų | 172 | 146.1 Ų | 146.1 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | -158.5 | 153 | 66.5 | -96.5 | 169.4 | 157.7 | -170.2 | 0 | 112.9 | L957 | K955-L957 HydrophobicContact CD-CD1 3.65Å; K955-L957 HydrophobicContact CG-CD1 4.38Å | |||
| 956 | L | 23.5 | Very low | 26 | Very low | 175 Ų | 175 | 150 Ų | 150 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | trans | -72.5 | 123.5 | 138.4 | -106.9 | 73.3 | 0 | 0 | 0 | 107 | ||||
| 957 | L | 27.4 | Very low | 26.3 | Very low | 114 Ų | 114 | 149.3 Ų | 149.3 | 60% | 0.597 | 77% | 0.765 | S | S | * | * | trans | -168.7 | 131.3 | 156.5 | -105.4 | 150.3 | 0 | 0 | 0 | 109.5 | K955 | K955-L957 HydrophobicContact CD-CD1 3.65Å; K955-L957 HydrophobicContact CG-CD1 4.38Å | ||
| 958 | T | 27.5 | Very low | 26.7 | Very low | 107 Ų | 107 | 150.8 Ų | 150.8 | 66% | 0.656 | 77% | 0.772 | S | S | * | * | trans | 15.6 | 134.9 | 143.3 | 56.9 | 0 | 0 | 0 | 0 | 120 | T960 | T958-T960 PolarHBondContact O-N 3.28Š| ||
| 959 | S | 22.6 | Very low | 27 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -44.5 | 126.5 | 142.4 | 50 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 960 | T | 27.6 | Very low | 27.3 | Very low | 123 Ų | 123 | 144 Ų | 144 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | -174.3 | 143 | 121.7 | 30.9 | 0 | 0 | 0 | 0 | 109.3 | T958 | T958-T960 PolarHBondContact O-N 3.28Š| |||
| 961 | S | 28.3 | Very low | 27.5 | Very low | 88 Ų | 88 | 138.7 Ų | 138.7 | 62% | 0.615 | 77% | 0.77 | S | S | * | * | trans | 38.7 | 126.2 | 150.7 | 64.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 962 | N | 27 | Very low | 27.8 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | 47.2 | 134.6 | 118.1 | -40.9 | -13 | 0 | 0 | 0 | 118 | |||||
| 963 | Q | 28.8 | Very low | 28 | Very low | 175 Ų | 175 | 134.3 Ų | 134.3 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | cis | -141.6 | 170.1 | 36.8 | -71.9 | 170.5 | -39.2 | 0 | 0 | 112.6 | ||||
| 964 | D | 26 | Very low | 28 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -59.1 | -159.4 | 151.6 | -58.1 | -87.2 | 0 | 0 | 0 | 111.6 | ||||
| 965 | T | 27.9 | Very low | 28.4 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | 78.8 | 151.8 | 174.5 | 82 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 966 | E | 26.5 | Very low | 28.5 | Very low | 192 Ų | 192 | 130.7 Ų | 130.7 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | cis | -116.6 | 142.4 | 9.9 | -66.2 | -173.6 | 115.3 | 0 | 0 | 114.3 | ||||
| 967 | G | 31.2 | Very low | 28.8 | Very low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 154.8 | 67.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 968 | Q | 32.4 | Very low | 29 | Very low | 202 Ų | 202 | 125.7 Ų | 125.7 | 94% | 0.944 | 76% | 0.761 | S | S | * | * | S | Bend | cis | -154.4 | 146.3 | 1.6 | -57 | 174.7 | -76.6 | 0 | 0 | 107.6 | ||
| 969 | G | 32.7 | Very low | 29.2 | Very low | 81 Ų | 81 | 125.9 Ų | 125.9 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | 152.1 | 93.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 970 | T | 28.4 | Very low | 29.7 | Very low | 138 Ų | 138 | 124.9 Ų | 124.9 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | -69.3 | 165.4 | 157.1 | 48.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 971 | P | 30.9 | Very low | 29.9 | Very low | 115 Ų | 115 | 126 Ų | 126 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | cis | -139.9 | -167.9 | 27 | 46.9 | -28.9 | 0 | 0 | 0 | 113.1 | ||||
| 972 | S | 30.9 | Very low | 30 | Very low | 88 Ų | 88 | 127.9 Ų | 127.9 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | cis | 178.8 | 173.3 | -30.2 | 60.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 973 | F | 31.5 | Very low | 30.2 | Very low | 182 Ų | 182 | 126.5 Ų | 126.5 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | trans | 50.5 | 111.7 | 163.9 | -63.2 | -64.1 | 0 | 0 | 0 | 121.1 | ||||
| 974 | S | 24.5 | Very low | 30.3 | Very low | 105 Ų | 105 | 122.6 Ų | 122.6 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | 50.1 | 161.2 | 114.7 | -50.4 | 0 | 0 | 0 | 0 | 123 | |||||
| 975 | V | 33.8 | Very low | 30.4 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | 94.5 | 118.3 | 163.1 | -172.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 976 | D | 28.7 | Very low | 30.3 | Very low | 140 Ų | 140 | 122.9 Ų | 122.9 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | 64.6 | 160.8 | 155.3 | -72.2 | -26 | 0 | 0 | 0 | 121.9 | ||||
| 977 | S | 30.2 | Very low | 30.3 | Very low | 96 Ų | 96 | 116.8 Ų | 116.8 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | cis | -177.1 | 155.7 | -39.7 | -100.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 978 | A | 30.8 | Very low | 30.1 | Very low | 88 Ų | 88 | 119 Ų | 119 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | 63.4 | 140.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 979 | S | 32.4 | Very low | 29.8 | Very low | 111 Ų | 111 | 115.1 Ų | 115.1 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | trans | 67.4 | 140.2 | 155.5 | 64.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 980 | S | 33.8 | Very low | 29.7 | Very low | 90 Ų | 90 | 114.5 Ų | 114.5 | 63% | 0.629 | 72% | 0.716 | S | S | * | * | cis | -166.7 | 122.7 | -14 | 46.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 981 | D | 30.4 | Very low | 29.8 | Very low | 145 Ų | 145 | 112.6 Ų | 112.6 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | 79.4 | 137.6 | 94.7 | -52 | -28.2 | 0 | 0 | 0 | 112.1 | |||||
| 982 | N | 32.1 | Very low | 29.5 | Very low | 128 Ų | 128 | 111.4 Ų | 111.4 | 68% | 0.684 | 71% | 0.714 | S | S | * | * | cis | -151.1 | 165.5 | 14.1 | -126.5 | 16.4 | 0 | 0 | 0 | 114.5 | ||||
| 983 | D | 31.1 | Very low | 29.4 | Very low | 121 Ų | 121 | 113.5 Ų | 113.5 | 65% | 0.647 | 72% | 0.723 | S | S | * | * | trans | 66.2 | 91.6 | 146.1 | -67.8 | -43.6 | 0 | 0 | 0 | 123.8 | ||||
| 984 | S | 30 | Very low | 29.3 | Very low | 93 Ų | 93 | 109.1 Ų | 109.1 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | 59.7 | 116.9 | 94.8 | 73.7 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 985 | D | 27.4 | Very low | 29.5 | Very low | 153 Ų | 153 | 111.6 Ų | 111.6 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | trans | 49.4 | 99.2 | 131.4 | -73.2 | -19.2 | 0 | 0 | 0 | 123.5 | ||||
| 986 | S | 27.3 | Very low | 29.4 | Very low | 120 Ų | 120 | 113.1 Ų | 113.1 | 84% | 0.839 | 71% | 0.714 | S | S | * | * | 109 | 137.3 | 103.5 | 79.8 | 0 | 0 | 0 | 0 | 119 | |||||
| 987 | G | 26.4 | Very low | 29.2 | Very low | 64 Ų | 64 | 110.6 Ų | 110.6 | 66% | 0.66 | 71% | 0.707 | S | S | * | * | trans | 116 | 124.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 988 | L | 26.8 | Very low | 29 | Very low | 117 Ų | 117 | 112.3 Ų | 112.3 | 61% | 0.613 | 71% | 0.713 | S | S | * | * | trans | 69.7 | 122.5 | 147.4 | -73.9 | 162.1 | 0 | 0 | 0 | 120.4 | ||||
| 989 | I | 26.4 | Very low | 28.8 | Very low | 122 Ų | 122 | 111.6 Ų | 111.6 | 63% | 0.626 | 71% | 0.708 | S | S | * | * | trans | 76.7 | 125.8 | 147.3 | -50.6 | 147.7 | 0 | 0 | 0 | 117.6 | K1437 | I989-K1437 HydrophobicContact CD1-CD 3.9Š| ||
| 990 | G | 29.8 | Very low | 28.4 | Very low | 67 Ų | 67 | 111 Ų | 111 | 69% | 0.691 | 70% | 0.704 | S | S | * | * | trans | 167.8 | 112.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 991 | A | 29.7 | Very low | 28 | Very low | 99 Ų | 99 | 111.7 Ų | 111.7 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | trans | -41 | 133 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 992 | A | 25.3 | Very low | 27.7 | Very low | 89 Ų | 89 | 110.5 Ų | 110.5 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | 57.3 | 138.1 | 82.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 993 | V | 29.4 | Very low | 27.3 | Very low | 132 Ų | 132 | 109.8 Ų | 109.8 | 80% | 0.8 | 72% | 0.715 | S | S | * | * | -162.4 | 157.1 | 51.7 | 166.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 994 | S | 28 | Very low | 27.2 | Very low | 90 Ų | 90 | 113.3 Ų | 113.3 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | trans | 70.2 | 142.3 | 161.6 | 165.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 995 | Q | 29.1 | Very low | 26.9 | Very low | 158 Ų | 158 | 116.2 Ų | 116.2 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | cis | -157 | 153.1 | -11.6 | -94.1 | 156.3 | 12.5 | 0 | 0 | 103.6 | ||||
| 996 | H | 32.3 | Very low | 26.7 | Very low | 153 Ų | 153 | 115.7 Ų | 115.7 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | -176.5 | 146.4 | 55.8 | -121.6 | -65.1 | 0 | 0 | 0 | 110.4 | |||||
| 997 | S | 25.4 | Very low | 26.6 | Very low | 86 Ų | 86 | 114 Ų | 114 | 60% | 0.601 | 72% | 0.72 | S | S | * | * | trans | 47.2 | 126.9 | 142.6 | -54 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 998 | T | 24.3 | Very low | 26.5 | Very low | 132 Ų | 132 | 116 Ų | 116 | 81% | 0.81 | 72% | 0.724 | S | S | * | * | trans | 69.3 | 147 | 137.1 | 53.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 999 | A | 26.8 | Very low | 26.5 | Very low | 74 Ų | 74 | 118.8 Ų | 118.8 | 61% | 0.612 | 73% | 0.731 | S | S | * | * | cis | -166.6 | 169.7 | -10.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1000 | S | 24 | Very low | 26.5 | Very low | 99 Ų | 99 | 118.2 Ų | 118.2 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | trans | 61.9 | 114.6 | 148.5 | 60.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1001 | S | 25.7 | Very low | 26.3 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | trans | 30.1 | 134.7 | 133.6 | 63 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1002 | S | 24.7 | Very low | 26.1 | Very low | 120 Ų | 120 | 122.7 Ų | 122.7 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | -175.5 | 177.4 | 66.8 | 48.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1003 | C | 24.4 | Very low | 26.1 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | trans | -100.7 | 144.4 | -177.4 | 52 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1004 | H | 27.8 | Very low | 26 | Very low | 195 Ų | 195 | 128.9 Ų | 128.9 | 90% | 0.903 | 72% | 0.721 | S | S | * | * | trans | -155 | 146.5 | 144.7 | -114.2 | -77 | 0 | 0 | 0 | 111.8 | ||||
| 1005 | L | 23.4 | Very low | 26.1 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 81% | 0.806 | 73% | 0.729 | S | S | * | * | trans | -81.6 | 156.9 | 171.6 | -61.2 | 163.4 | 0 | 0 | 0 | 108.5 | ||||
| 1006 | N | 24.9 | Very low | 26.2 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | -167.1 | 140.8 | 68.3 | -126.8 | 2.9 | 0 | 0 | 0 | 115.6 | |||||
| 1007 | S | 24.1 | Very low | 26 | Very low | 86 Ų | 86 | 129.7 Ų | 129.7 | 60% | 0.601 | 73% | 0.73 | S | S | * | * | trans | 43.6 | 133.4 | 139.5 | 62.8 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1008 | S | 25.1 | Very low | 26.3 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | trans | 66.3 | 146.7 | 148.9 | 56.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 1009 | F | 26.2 | Very low | 26.7 | Very low | 176 Ų | 176 | 132.2 Ų | 132.2 | 77% | 0.772 | 73% | 0.727 | S | S | * | * | cis | -149.7 | 129.7 | -2 | -135.9 | -131.1 | 0 | 0 | 0 | 106.5 | ||||
| 1010 | I | 27 | Very low | 26.9 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 56% | 0.564 | 73% | 0.725 | S | S | * | * | 64.4 | 117 | 101.2 | -75.6 | -177.5 | 0 | 0 | 0 | 116.3 | |||||
| 1011 | Q | 25.8 | Very low | 27.3 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | trans | 61.5 | 154.8 | 149.3 | -71.8 | 177.4 | -50.7 | 0 | 0 | 120.3 | ||||
| 1012 | S | 25.7 | Very low | 27.6 | Very low | 81 Ų | 81 | 136.2 Ų | 136.2 | 57% | 0.566 | 73% | 0.726 | S | S | * | * | cis | -175.1 | 147 | -21.4 | 51.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1013 | Y | 25.1 | Very low | 27.9 | Very low | 204 Ų | 204 | 140 Ų | 140 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | trans | 67.6 | 161.5 | 150.4 | -72.8 | -155 | 0 | 0 | 0 | 115.2 | ||||
| 1014 | Q | 26.2 | Very low | 28.3 | Very low | 148 Ų | 148 | 141 Ų | 141 | 69% | 0.692 | 72% | 0.715 | S | S | * | * | cis | -155 | -174.5 | -0.8 | -133.9 | 164.8 | -21.2 | 0 | 0 | 110.8 | ||||
| 1015 | N | 29.9 | Very low | 28.5 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 80% | 0.797 | 70% | 0.704 | S | S | * | * | trans | 77.5 | 145.9 | 170.7 | -50.7 | -20.4 | 0 | 0 | 0 | 115.7 | ||||
| 1016 | S | 30.8 | Very low | 28.8 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 69% | 0.692 | 70% | 0.698 | S | S | * | * | cis | -167.2 | 134.9 | -12.5 | 41.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1017 | H | 28.5 | Very low | 29.1 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 78% | 0.782 | 69% | 0.694 | S | S | * | * | 49.5 | 131.4 | 94.7 | -75.1 | -40.1 | 0 | 0 | 0 | 114.8 | |||||
| 1018 | D | 32.3 | Very low | 29.5 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 57% | 0.567 | 69% | 0.688 | S | S | * | * | cis | -143.7 | 178 | -0.1 | -94 | -42.3 | 0 | 0 | 0 | 109.9 | ||||
| 1019 | H | 32.3 | Very low | 29.7 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 76% | 0.764 | 67% | 0.671 | S | S | * | * | -166.6 | 166.7 | 50.1 | -72 | -79 | 0 | 0 | 0 | 109.5 | |||||
| 1020 | N | 30.9 | Very low | 30.1 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 58% | 0.583 | 65% | 0.651 | S | S | * | * | cis | -160.9 | 179.8 | -9.7 | -118.3 | 43.7 | 0 | 0 | 0 | 109.5 | ||||
| 1021 | D | 32.3 | Very low | 30.5 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 71% | 0.711 | 66% | 0.656 | S | S | * | * | trans | 26.9 | 136.9 | 146.6 | -44.4 | -25.8 | 0 | 0 | 0 | 121.6 | ||||
| 1022 | V | 33.2 | Very low | 30.9 | Very low | 118 Ų | 118 | 127 Ų | 127 | 72% | 0.715 | 65% | 0.65 | S | S | * | * | cis | -147.5 | 112.4 | 28 | 178.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1023 | R | 31.2 | Very low | 31.1 | Very low | 200 Ų | 200 | 129.3 Ų | 129.3 | 76% | 0.755 | 66% | 0.661 | S | S | * | * | trans | 57.5 | 163.2 | 143 | -53.4 | 171.1 | 81.9 | 111.1 | 13.9 | 119.7 | ||||
| 1024 | E | 31.4 | Very low | 31.2 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 63% | 0.626 | 66% | 0.658 | S | S | * | * | cis | -171.6 | 161.3 | -22.7 | -98.8 | 160.3 | -174.5 | 0 | 0 | 106.9 | ||||
| 1025 | V | 31.9 | Very low | 31.4 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 66% | 0.661 | 66% | 0.657 | S | S | * | * | cis | -173.4 | 157.4 | -30.5 | 77.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1026 | D | 31.1 | Very low | 31.3 | Very low | 128 Ų | 128 | 120.5 Ų | 120.5 | 68% | 0.684 | 66% | 0.656 | S | S | * | * | trans | 62.5 | 157.8 | 157.1 | -61.1 | -22.5 | 0 | 0 | 0 | 121.3 | ||||
| 1027 | E | 31.3 | Very low | 31.1 | Very low | 144 Ų | 144 | 122.3 Ų | 122.3 | 67% | 0.673 | 67% | 0.668 | S | S | * | * | cis | -163.3 | 165.8 | -14.4 | -113.6 | -171.4 | 141.4 | 0 | 0 | 115.3 | ||||
| 1028 | Q | 32.3 | Very low | 31.2 | Very low | 103 Ų | 103 | 117.9 Ų | 117.9 | 48% | 0.481 | 67% | 0.667 | S | S | . | * | trans | 52.8 | 103 | 143.7 | -65 | 178.1 | 26.1 | 0 | 0 | 126.5 | Y1445 | Q1028-Y1445 VanDerWaalsContact OE1-CE2 3.26Å; Q1028-Y1445 PolarHBondContact OE1-OH 2.89Å | ||
| 1029 | S | 28.9 | Very low | 30.9 | Very low | 54 Ų | 54 | 119.5 Ų | 119.5 | 38% | 0.378 | 68% | 0.681 | S | S | . | * | 105.9 | 134.1 | 97.5 | 91.9 | 0 | 0 | 0 | 0 | 128.6 | S1442 T1443 Q1444 | S1029-S1442 VanDerWaalsContact CA-O 3.23Å; S1029-S1442 WeakPolarHBondContact CA-O 3.33Å; S1029-S1442 PolarHBondContact N-O 3.5Å; S1029-T1443 WeakPolarHBondContact CA-O 3.5Å; S1029-T1443 WeakPolarHBondContact CB-O 3.47Å; S1029-Q1444 WeakPolarHBondContact CB-O 3.12Å; S1029-Q1444 PolarHBondContact OG-O 2.83Å | |||
| 1030 | S | 33.2 | Very low | 30.6 | Very low | 49 Ų | 49 | 119.8 Ų | 119.8 | 34% | 0.343 | 68% | 0.675 | S | S | . | * | 108.2 | 111.9 | 129.7 | -62.8 | 0 | 0 | 0 | 0 | 125.7 | Q1444 Y1445 | S1030-Q1444 PolarHBondContact OG-O 2.85Å; S1030-Y1445 PolarHBondContact OG-N 3.08Å | |||
| 1031 | L | 36.4 | Very low | 30.4 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 67% | 0.665 | 69% | 0.685 | S | S | * | * | trans | 52.6 | 169.1 | 130.5 | -56.5 | 172.4 | 0 | 0 | 0 | 123.4 | ||||
| 1032 | L | 34.6 | Very low | 30.2 | Very low | 138 Ų | 138 | 119 Ų | 119 | 72% | 0.723 | 69% | 0.687 | S | S | * | * | -162.3 | 163.7 | -62.2 | -142.8 | 141.6 | 0 | 0 | 0 | 110.6 | |||||
| 1033 | T | 28.6 | Very low | 30.1 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | trans | 75.7 | 155.9 | 164.2 | 71.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 1034 | C | 27.3 | Very low | 29.9 | Very low | 109 Ų | 109 | 120 Ų | 120 | 74% | 0.736 | 70% | 0.697 | S | S | * | * | cis | -163.7 | 137.7 | -38.6 | -163.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1035 | S | 30.6 | Very low | 29.9 | Very low | 97 Ų | 97 | 120.6 Ų | 120.6 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | 51.2 | 118.7 | 152.5 | 65.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 1036 | S | 27.9 | Very low | 29.7 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | trans | 90.2 | 108.3 | 134.3 | -58.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1037 | C | 28.1 | Very low | 29.9 | Very low | 137 Ų | 137 | 122.2 Ų | 122.2 | 93% | 0.926 | 72% | 0.72 | S | S | * | * | trans | 54.8 | 115.8 | 154 | 62.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1038 | G | 28.7 | Very low | 29.7 | Very low | 75 Ų | 75 | 122.1 Ų | 122.1 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | -174.9 | 141.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1039 | V | 27.7 | Very low | 30 | Very low | 140 Ų | 140 | 123.3 Ų | 123.3 | 85% | 0.848 | 74% | 0.74 | S | S | * | * | trans | -141.5 | 126.6 | -179.1 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1040 | R | 25.5 | Very low | 30.1 | Very low | 172 Ų | 172 | 127.6 Ų | 127.6 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | 175 | 168.2 | 127.3 | -96.7 | 177.8 | 176.9 | 161.9 | -2.6 | 113.3 | N2089 | R1040-N2089 VanDerWaalsContact NE-CB 3.27Å; R1040-N2089 PolarHBondContact NH2-O 2.74Å | |||
| 1041 | L | 26.6 | Very low | 30.2 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | -69.4 | 166.5 | -167.7 | -56.2 | 151.5 | 0 | 0 | 0 | 114.4 | ||||
| 1042 | G | 27.2 | Very low | 29.9 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | 159.2 | 97.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1043 | E | 30.8 | Very low | 29.5 | Very low | 185 Ų | 185 | 131.3 Ų | 131.3 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | 47.4 | 110.5 | 146.5 | -62.6 | 174.8 | 140.3 | 0 | 0 | 122.8 | ||||
| 1044 | D | 27.8 | Very low | 29.8 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | 48.1 | 130 | 121.9 | -58 | 1.4 | 0 | 0 | 0 | 124.1 | |||||
| 1045 | V | 31.5 | Very low | 30 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | -172.6 | 144.3 | 117.9 | 143.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1046 | I | 27 | Very low | 30 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -87 | 160.7 | -176.7 | -78.8 | 163.9 | 0 | 0 | 0 | 111 | ||||
| 1047 | P | 35.4 | Very low | 30.2 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | cis | -138.9 | 178.9 | 26.2 | 24.7 | 2.2 | 0 | 0 | 0 | 119.3 | ||||
| 1048 | D | 28.4 | Very low | 30.3 | Very low | 141 Ų | 141 | 135 Ų | 135 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | -67.5 | 171.4 | 166.2 | -55.1 | -72.7 | 0 | 0 | 0 | 115 | ||||
| 1049 | P | 38.4 | Very low | 30.6 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | -140.5 | 147.8 | 110.6 | 37.9 | -26.5 | 0 | 0 | 0 | 117.1 | |||||
| 1050 | I | 30.2 | Very low | 30.6 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | trans | -86.4 | 138.2 | 170.6 | -66.8 | 156.9 | 0 | 0 | 0 | 109.2 | ||||
| 1051 | P | 35.6 | Very low | 31 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | -151.3 | 135.9 | 105 | 36.3 | -15.8 | 0 | 0 | 0 | 116.1 | |||||
| 1052 | E | 29.5 | Very low | 31.1 | Very low | 160 Ų | 160 | 135 Ų | 135 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | 75.7 | 151.9 | 92.6 | -64.2 | -163.9 | -168 | 0 | 0 | 116 | |||||
| 1053 | N | 27.4 | Very low | 31.1 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 65% | 0.652 | 75% | 0.746 | S | S | * | * | cis | -167.6 | -165.4 | -13.3 | -106 | -25.1 | 0 | 0 | 0 | 109.2 | ||||
| 1054 | V | 34 | Very low | 31 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 71% | 0.709 | 74% | 0.738 | S | S | * | * | trans | 85.5 | 135.4 | 152.7 | -168.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1055 | E | 31.3 | Very low | 31 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | cis | -137 | 131.3 | 1.3 | -130.7 | 129.3 | -144.4 | 0 | 0 | 107.4 | ||||
| 1056 | S | 30.9 | Very low | 31 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | 41.5 | 152.4 | 105.1 | 79.2 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1057 | Q | 32.5 | Very low | 30.9 | Very low | 168 Ų | 168 | 134 Ų | 134 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | cis | -143.8 | 167.8 | 32.2 | -71.7 | -173.9 | -97.1 | 0 | 0 | 110.6 | ||||
| 1058 | D | 30.8 | Very low | 30.8 | Very low | 117 Ų | 117 | 133 Ų | 133 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | cis | -162.4 | -158 | -16.5 | -90.1 | -9.2 | 0 | 0 | 0 | 104.7 | ||||
| 1059 | V | 34 | Very low | 30.8 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 76% | 0.758 | 72% | 0.723 | S | S | * | * | cis | -154.8 | 163.2 | 14.1 | -158.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1060 | D | 27 | Very low | 30.5 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | trans | -73.7 | -176.6 | 179.1 | -37.4 | -95.1 | 0 | 0 | 0 | 113.9 | ||||
| 1061 | I | 35 | Very low | 30.5 | Very low | 143 Ų | 143 | 133.7 Ų | 133.7 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | -160.8 | 130.2 | 57.7 | -74.1 | 175.3 | 0 | 0 | 0 | 111.5 | |||||
| 1062 | N | 29 | Very low | 30.2 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | trans | 25 | 161.6 | 134.6 | -51.7 | -12.1 | 0 | 0 | 0 | 122.8 | ||||
| 1063 | S | 26.6 | Very low | 30.3 | Very low | 86 Ų | 86 | 134.9 Ų | 134.9 | 60% | 0.601 | 71% | 0.711 | S | S | * | * | cis | 179.5 | 163.1 | -22.7 | -82.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1064 | D | 28.5 | Very low | 30.3 | Very low | 132 Ų | 132 | 134 Ų | 134 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | 62.4 | 160.8 | 149 | -64.5 | -35.2 | 0 | 0 | 0 | 119.7 | ||||
| 1065 | Q | 27.4 | Very low | 30.2 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | cis | -162.1 | -159.4 | -23.4 | -109.5 | 174.5 | 47.9 | 0 | 0 | 107.6 | ||||
| 1066 | I | 32.1 | Very low | 29.8 | Very low | 146 Ų | 146 | 136 Ų | 136 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | trans | 81.2 | 99.5 | 169.4 | -53.1 | 174.2 | 0 | 0 | 0 | 112.4 | ||||
| 1067 | E | 26 | Very low | 30.3 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | 68.4 | 140.3 | 83.3 | -76 | -169.9 | 133.4 | 0 | 0 | 113.9 | |||||
| 1068 | T | 31.3 | Very low | 29.9 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 60% | 0.595 | 72% | 0.72 | S | S | * | * | cis | -151.8 | 151.5 | 14.6 | 21.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1069 | Q | 28.8 | Very low | 29.7 | Very low | 179 Ų | 179 | 137.5 Ų | 137.5 | 84% | 0.836 | 72% | 0.716 | S | S | * | * | trans | 50.4 | 161.3 | 142.4 | -52.4 | 172.7 | -0.4 | 0 | 0 | 118.8 | ||||
| 1070 | V | 32 | Very low | 29.6 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 64% | 0.642 | 72% | 0.722 | S | S | * | * | cis | -153.6 | 141.5 | 27.8 | 173.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1071 | D | 29.9 | Very low | 29.9 | Very low | 142 Ų | 142 | 143 Ų | 143 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | trans | 56.8 | 149.3 | 158.7 | -62 | -11.2 | 0 | 0 | 0 | 121 | ||||
| 1072 | E | 31.3 | Very low | 29.5 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | cis | -150.9 | 152.3 | -0.2 | -129.1 | -170.5 | 142.9 | 0 | 0 | 111.1 | ||||
| 1073 | Q | 31.4 | Very low | 29.7 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | trans | 51.7 | 112.7 | 159.1 | -56.7 | 172.7 | 33.8 | 0 | 0 | 118.1 | ||||
| 1074 | S | 26.8 | Very low | 29.9 | Very low | 103 Ų | 103 | 146 Ų | 146 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | cis | 64.6 | 140.1 | 48.6 | 96.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1075 | S | 30.6 | Very low | 29.9 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | cis | -149 | 139.2 | 18.2 | -54.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1076 | Y | 24.1 | Very low | 30.2 | Very low | 222 Ų | 222 | 143.5 Ų | 143.5 | 87% | 0.871 | 75% | 0.752 | S | S | * | * | trans | -26.7 | 175 | 130.2 | -75 | -60.8 | 0 | 0 | 0 | 117.8 | ||||
| 1077 | P | 40.2 | Very low | 30.4 | Very low | 101 Ų | 101 | 144 Ų | 144 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | cis | -147.5 | -174.1 | -29.7 | 41.4 | -22.2 | 0 | 0 | 0 | 115.8 | ||||
| 1078 | R | 25.2 | Very low | 31 | Very low | 206 Ų | 206 | 141.5 Ų | 141.5 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | trans | 39.6 | 145.7 | 130.5 | -69.6 | -114.4 | -84.4 | 150.4 | -8 | 124.4 | ||||
| 1079 | D | 27.4 | Very low | 30.7 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 55% | 0.551 | 76% | 0.764 | S | S | * | * | trans | 88.5 | 141.8 | 138.9 | -66 | -21.4 | 0 | 0 | 0 | 123.1 | ||||
| 1080 | E | 31.4 | Very low | 30.7 | Very low | 187 Ų | 187 | 141.2 Ų | 141.2 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | 80.4 | 150 | 155.6 | -76.3 | 166.9 | -146 | 0 | 0 | 122 | ||||
| 1081 | E | 32.3 | Very low | 30.5 | Very low | 189 Ų | 189 | 142 Ų | 142 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -108.8 | -152.6 | -166.3 | -56.5 | -173.1 | 125 | 0 | 0 | 111.5 | ||||
| 1082 | D | 28 | Very low | 30.4 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | 60.2 | 83.7 | 169.7 | -78.6 | -17.8 | 0 | 0 | 0 | 119.1 | ||||
| 1083 | A | 32.7 | Very low | 30.3 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -147.6 | 59.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1085 | A1083-S1085 PolarHBondContact O-N 3.42Å; A1083-S1085 VanDerWaalsContact O-N 3.1Å | ||
| 1084 | L | 31.3 | Very low | 30.3 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | -78 | 82.9 | 171.2 | -82.6 | 172.2 | 0 | 0 | 0 | 112.3 | ||||
| 1085 | S | 28.1 | Very low | 30.5 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | -167.2 | 138.1 | 164.6 | -102.5 | 0 | 0 | 0 | 0 | 108.9 | A1083 | A1083-S1085 PolarHBondContact O-N 3.42Å; A1083-S1085 VanDerWaalsContact O-N 3.1Å | ||
| 1086 | D | 32.3 | Very low | 30.5 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | cis | -140.4 | 160.5 | 1.9 | -82.1 | -42.1 | 0 | 0 | 0 | 111.2 | P1088 | D1086-P1088 VanDerWaalsContact C-CD 3.43Å; D1086-P1088 WeakPolarHBondContact O-CD 3.42Å | ||
| 1087 | L | 36.3 | Very low | 31 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | trans | -104 | 87.2 | 162.1 | -125.6 | 175 | 0 | 0 | 0 | 109.5 | L1089 | L1087-L1089 PolarHBondContact O-N 3.21Š| ||
| 1088 | P | 38.5 | Very low | 30.5 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -79.2 | 78.3 | 171.3 | 32.2 | -33.6 | 0 | 0 | 0 | 110.7 | D1086 | D1086-P1088 VanDerWaalsContact C-CD 3.43Å; D1086-P1088 WeakPolarHBondContact O-CD 3.42Å | ||
| 1089 | L | 25.6 | Very low | 30.8 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | 1.5 | 129.9 | 142.2 | -67.1 | 162.3 | 0 | 0 | 0 | 117.6 | L1087 | L1087-L1089 PolarHBondContact O-N 3.21Š| ||
| 1090 | S | 28.2 | Very low | 31.4 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -30 | 133.7 | 167.3 | -48.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1091 | S | 29.5 | Very low | 31.3 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -141.2 | 127.9 | 130.4 | 53.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1092 | A | 28 | Very low | 30.9 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 59% | 0.587 | 79% | 0.785 | S | S | * | * | cis | 103.2 | 123.5 | 14.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1093 | N | 28.8 | Very low | 31 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | 68.4 | 167.8 | 162.7 | -52.7 | -32.6 | 0 | 0 | 0 | 114 | ||||
| 1094 | I | 31.1 | Very low | 30.6 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | cis | -144.4 | 143 | 32.3 | -70.1 | 163.1 | 0 | 0 | 0 | 106.8 | ||||
| 1095 | S | 30.1 | Very low | 30.3 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | S | Bend | -161.2 | 135.8 | 51.4 | -158.1 | 0 | 0 | 0 | 0 | 110.1 | |||
| 1096 | G | 32.2 | Very low | 30.1 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | cis | -159.5 | -145.9 | -1.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1097 | R | 32.9 | Very low | 29.8 | Very low | 233 Ų | 233 | 129.2 Ų | 129.2 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | cis | -177.1 | 143.2 | -14.7 | -115.5 | -172.2 | 179 | -166.7 | 0 | 104.5 | ||||
| 1098 | V | 30.9 | Very low | 29.2 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | cis | -138.8 | 175.7 | 5.3 | -160.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1099 | T | 30.3 | Very low | 28.5 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -107.7 | -155 | 179.9 | 46.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1100 | P | 40.3 | Very low | 28.4 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | -128.7 | -166.3 | -82.1 | 40.7 | -24.4 | 0 | 0 | 0 | 112.8 | |||||
| 1101 | L | 29.9 | Very low | 28.3 | Very low | 166 Ų | 166 | 127.3 Ų | 127.3 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | -176.6 | 162.8 | 117.1 | -98.5 | 170.8 | 0 | 0 | 0 | 113.5 | |||||
| 1102 | S | 24.5 | Very low | 28.1 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | -118.6 | 171.7 | -174.7 | -39.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1103 | L | 29.3 | Very low | 27.9 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | -177.2 | -176.7 | 128.5 | -98.9 | 166.7 | 0 | 0 | 0 | 112.7 | |||||
| 1104 | T | 24.6 | Very low | 27.9 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 68% | 0.681 | 78% | 0.782 | S | S | * | * | trans | -123.3 | 164.1 | -150 | 56.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1105 | S | 24.9 | Very low | 27.8 | Very low | 94 Ų | 94 | 131.6 Ų | 131.6 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | 70.3 | 135.7 | 138.8 | 56.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1106 | T | 24.6 | Very low | 27.8 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 80.4 | 135.5 | 143.6 | 43.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1107 | T | 25.2 | Very low | 27.4 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | 66.9 | 101.1 | 145.5 | 50.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1108 | S | 24.5 | Very low | 27.3 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | 82.8 | 143.8 | 118.3 | 81.9 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1109 | R | 23.5 | Very low | 27.1 | Very low | 246 Ų | 246 | 133.6 Ų | 133.6 | 93% | 0.928 | 78% | 0.779 | S | S | * | * | trans | 52.1 | 108.9 | 151.3 | -69.4 | 178.6 | 171.6 | -178.3 | -2.1 | 119.2 | ||||
| 1110 | G | 24 | Very low | 27.1 | Very low | 81 Ų | 81 | 130.4 Ų | 130.4 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | 121.2 | 107.9 | 79.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 1111 | G | 25.4 | Very low | 26.6 | Very low | 74 Ų | 74 | 131.4 Ų | 131.4 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | 83.4 | 170.6 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1112 | Q | 24.8 | Very low | 26.6 | Very low | 172 Ų | 172 | 131.1 Ų | 131.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | cis | -164.4 | 167.2 | -16.2 | -135.4 | -173.8 | 0.3 | 0 | 0 | 111.4 | ||||
| 1113 | L | 24.2 | Very low | 26.9 | Very low | 148 Ų | 148 | 131 Ų | 131 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | 63.1 | 108.4 | 153.4 | -67.7 | 163.2 | 0 | 0 | 0 | 119.9 | ||||
| 1114 | A | 29.8 | Very low | 26.8 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | -152.3 | 116.6 | 115.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1115 | Q | 27.7 | Very low | 27.1 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | trans | -119.5 | 165.5 | 154.7 | -63.5 | -176 | -47.9 | 0 | 0 | 106.9 | ||||
| 1116 | P | 30.5 | Very low | 27.2 | Very low | 111 Ų | 111 | 136 Ų | 136 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | -150.7 | 149.2 | 91.2 | 37.2 | -19.5 | 0 | 0 | 0 | 116.7 | |||||
| 1117 | N | 24 | Very low | 27.3 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | 39.9 | 145.4 | 129.3 | -51.6 | -17.1 | 0 | 0 | 0 | 120.6 | |||||
| 1118 | I | 30.7 | Very low | 27.4 | Very low | 162 Ų | 162 | 136 Ų | 136 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | -156.7 | 162.8 | 68.7 | -85.3 | 170.8 | 0 | 0 | 0 | 113.2 | |||||
| 1119 | H | 26.2 | Very low | 27.4 | Very low | 181 Ų | 181 | 135.2 Ų | 135.2 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | -56.8 | 164.3 | -168.8 | -52.7 | -47 | 0 | 0 | 0 | 121.1 | ||||
| 1120 | G | 30.2 | Very low | 27.6 | Very low | 62 Ų | 62 | 131.2 Ų | 131.2 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | trans | 155.8 | 80.2 | 146 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1121 | T | 30.3 | Very low | 27.8 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | 51.9 | 127.6 | 97.2 | 62.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1122 | E | 29.6 | Very low | 28 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | cis | -168.3 | 159.4 | 9.3 | -126.2 | -178.3 | -142.5 | 0 | 0 | 113.5 | ||||
| 1123 | N | 31.7 | Very low | 28.1 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 54% | 0.535 | 74% | 0.739 | S | S | . | * | trans | 55.9 | 119.2 | 150.8 | -71.3 | -44.2 | 0 | 0 | 0 | 121.4 | ||||
| 1124 | N | 27.2 | Very low | 28.3 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 54% | 0.54 | 74% | 0.744 | S | S | . | * | 63 | 129.9 | 77.6 | -67 | -57.6 | 0 | 0 | 0 | 113.4 | |||||
| 1125 | Y | 29.8 | Very low | 28.1 | Very low | 192 Ų | 192 | 133.3 Ų | 133.3 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | cis | -154.6 | 138.5 | 47.4 | -89.1 | -88 | 0 | 0 | 0 | 116.5 | ||||
| 1126 | R | 27.3 | Very low | 28 | Very low | 188 Ų | 188 | 132 Ų | 132 | 71% | 0.709 | 73% | 0.729 | S | S | * | * | 36.3 | 130.4 | 127.4 | -78 | -170 | 162.9 | -160.2 | -8.3 | 123.9 | |||||
| 1127 | V | 27.7 | Very low | 27.8 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | 87.5 | 136.4 | 125 | 172.7 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1128 | S | 25.7 | Very low | 28.1 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | -64 | 178.4 | -178.5 | -38.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1129 | A | 26.1 | Very low | 28.1 | Very low | 88 Ų | 88 | 131.4 Ų | 131.4 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | 91.1 | 86.6 | 158 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1130 | M | 26.8 | Very low | 28.3 | Very low | 161 Ų | 161 | 129 Ų | 129 | 79% | 0.793 | 72% | 0.723 | S | S | * | * | 114.6 | 134.8 | 107.4 | -89.6 | -177 | 168.3 | 0 | 0 | 119.6 | |||||
| 1131 | F | 28.8 | Very low | 28.3 | Very low | 169 Ų | 169 | 128.8 Ų | 128.8 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | trans | 56.7 | 117.1 | 155.3 | -68.7 | -60 | 0 | 0 | 0 | 121.6 | ||||
| 1132 | S | 28.4 | Very low | 28.2 | Very low | 91 Ų | 91 | 129.9 Ų | 129.9 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | 65.7 | 107.8 | 125.4 | -58.4 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 1133 | Q | 28.4 | Very low | 28.3 | Very low | 179 Ų | 179 | 127 Ų | 127 | 84% | 0.836 | 73% | 0.731 | S | S | * | * | 48.9 | 152.2 | 117.1 | -66.8 | -171.7 | -10.8 | 0 | 0 | 121.3 | |||||
| 1134 | S | 26.9 | Very low | 28 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 88% | 0.881 | 74% | 0.744 | S | S | * | * | trans | 74.8 | -170 | 149.5 | 84.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1135 | G | 25.4 | Very low | 28.3 | Very low | 58 Ų | 58 | 130 Ų | 130 | 60% | 0.598 | 75% | 0.753 | S | S | * | * | trans | 112 | 130.2 | -157.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1136 | I | 25.9 | Very low | 28.1 | Very low | 145 Ų | 145 | 124.8 Ų | 124.8 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | cis | -142 | 140 | 0.8 | -45.4 | 179.4 | 0 | 0 | 0 | 104.2 | L1138 | I1136-L1138 HydrophobicContact CG2-CB 4.47Å; I1136-L1138 HydrophobicContact CG2-CD1 4.07Å | ||
| 1137 | I | 27.8 | Very low | 28.3 | Very low | 157 Ų | 157 | 122.9 Ų | 122.9 | 81% | 0.805 | 75% | 0.748 | S | S | * | * | -166 | 124.4 | 71.3 | -71 | 154 | 0 | 0 | 0 | 105.7 | |||||
| 1138 | L | 28.9 | Very low | 28.3 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 67% | 0.665 | 75% | 0.746 | S | S | * | * | cis | 70.3 | 164.5 | 34.7 | -79.8 | 148.3 | 0 | 0 | 0 | 114.7 | I1136 | I1136-L1138 HydrophobicContact CG2-CB 4.47Å; I1136-L1138 HydrophobicContact CG2-CD1 4.07Å | ||
| 1139 | P | 31.8 | Very low | 28.6 | Very low | 109 Ų | 109 | 124.3 Ų | 124.3 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | cis | -86.6 | -168.1 | -4.2 | 42.5 | -39.3 | 0 | 0 | 0 | 111.6 | ||||
| 1140 | T | 29 | Very low | 28.6 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | cis | -160.6 | 172.2 | -8.7 | 6.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1141 | G | 30.1 | Very low | 28.7 | Very low | 57 Ų | 57 | 127.9 Ų | 127.9 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | cis | 142.2 | 157.2 | -3.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1142 | T | 29.7 | Very low | 28.7 | Very low | 148 Ų | 148 | 122.7 Ų | 122.7 | 91% | 0.908 | 75% | 0.75 | S | S | * | * | trans | 62.7 | 134.2 | 172.5 | 50.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1143 | A | 31.6 | Very low | 28.5 | Very low | 97 Ų | 97 | 126.2 Ų | 126.2 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | cis | -157.2 | 176.4 | -2.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1144 | L | 25.7 | Very low | 28.6 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | -82.6 | -174.4 | 173.6 | -103.2 | 79.8 | 0 | 0 | 0 | 112.6 | ||||
| 1145 | P | 32.1 | Very low | 28.6 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | -129.9 | 168.1 | 16.1 | 18.1 | 10.3 | 0 | 0 | 0 | 116.2 | ||||
| 1146 | S | 26.9 | Very low | 28.5 | Very low | 82 Ų | 82 | 130 Ų | 130 | 57% | 0.573 | 76% | 0.759 | S | S | * | * | 65.1 | 145.1 | 74.7 | -30.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1147 | N | 29.9 | Very low | 28.4 | Very low | 147 Ų | 147 | 126 Ų | 126 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | cis | -139.6 | 173.3 | 23 | -65.1 | -57.1 | 0 | 0 | 0 | 111.1 | ||||
| 1148 | T | 28.3 | Very low | 29 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | cis | 102.5 | 95.9 | 4.6 | -50.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 1149 | T | 31.3 | Very low | 29.1 | Very low | 153 Ų | 153 | 123.2 Ų | 123.2 | 94% | 0.939 | 75% | 0.747 | S | S | * | * | trans | -152.7 | 166.6 | 154 | 26.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 1150 | H | 27 | Very low | 28.9 | Very low | 149 Ų | 149 | 124.2 Ų | 124.2 | 69% | 0.69 | 74% | 0.742 | S | S | * | * | -170.1 | 150.1 | -119.4 | 164.5 | -77.1 | 0 | 0 | 0 | 112.8 | |||||
| 1151 | L | 28.9 | Very low | 28.8 | Very low | 176 Ų | 176 | 126.1 Ų | 126.1 | 92% | 0.921 | 74% | 0.739 | S | S | * | * | trans | -179.8 | 138.4 | 155.2 | -100.4 | 165.1 | 0 | 0 | 0 | 109.3 | ||||
| 1152 | G | 28.1 | Very low | 28.9 | Very low | 59 Ų | 59 | 128.9 Ų | 128.9 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | cis | -165.8 | 157.8 | -8.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1153 | L | 25.2 | Very low | 28.7 | Very low | 166 Ų | 166 | 126.8 Ų | 126.8 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | trans | -139.1 | 158.6 | -169.8 | -92 | 170.1 | 0 | 0 | 0 | 113.8 | ||||
| 1154 | T | 29.3 | Very low | 28.4 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | trans | -177.2 | 175.7 | 157.1 | 34.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1155 | R | 26.9 | Very low | 28.3 | Very low | 214 Ų | 214 | 129.3 Ų | 129.3 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | cis | -170.2 | 162.2 | -34.2 | -100 | 176.3 | 166.5 | 155.7 | -5.8 | 105.9 | ||||
| 1156 | C | 23.4 | Very low | 28.3 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 72% | 0.716 | 75% | 0.753 | S | S | * | * | cis | -167.3 | 159.1 | -37 | -98.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1157 | G | 23.9 | Very low | 28.2 | Very low | 62 Ų | 62 | 138.2 Ų | 138.2 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | trans | -112.7 | -139.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1158 | P | 41.7 | Very low | 28.1 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | cis | -150 | -162.1 | -14.1 | 45.4 | -25.2 | 0 | 0 | 0 | 116.1 | ||||
| 1159 | N | 29.8 | Very low | 27.9 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 67% | 0.674 | 77% | 0.765 | S | S | * | * | trans | 72.9 | 160.4 | 155.4 | -69.7 | 25.4 | 0 | 0 | 0 | 120.4 | ||||
| 1160 | E | 28.6 | Very low | 27.6 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 61% | 0.607 | 76% | 0.759 | S | S | * | * | cis | -171.3 | 169.9 | -15.3 | -109.2 | 173.9 | 151.2 | 0 | 0 | 115 | ||||
| 1161 | F | 25.8 | Very low | 27.6 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 75% | 0.746 | 77% | 0.765 | S | S | * | * | trans | 69.4 | 165.1 | 149.4 | -71.1 | -42.4 | 0 | 0 | 0 | 124.6 | ||||
| 1162 | P | 33.1 | Very low | 28 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | cis | -140.5 | 178.5 | -33.7 | 38.7 | -19.8 | 0 | 0 | 0 | 118 | ||||
| 1163 | S | 24.4 | Very low | 28 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -40.3 | 153.1 | 176.3 | -41.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1164 | T | 25.5 | Very low | 28.2 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | 176.8 | 152.7 | 108.9 | 29.9 | 0 | 0 | 0 | 0 | 117 | |||||
| 1165 | M | 24.9 | Very low | 28.2 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 84% | 0.837 | 76% | 0.757 | S | S | * | * | trans | 50.6 | 116.6 | 158.5 | -70.2 | -162 | -69.9 | 0 | 0 | 123.3 | ||||
| 1166 | F | 31.2 | Very low | 28.6 | Very low | 223 Ų | 223 | 137.8 Ų | 137.8 | 98% | 0.978 | 75% | 0.753 | S | S | * | * | -151.5 | 171.3 | 110.2 | -109.6 | -73 | 0 | 0 | 0 | 110.3 | |||||
| 1167 | Q | 24.3 | Very low | 29 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | -144.5 | 131.1 | -160.1 | 176 | -169.2 | 9.6 | 0 | 0 | 112.9 | ||||
| 1168 | R | 29.2 | Very low | 29.2 | Very low | 228 Ų | 228 | 147.7 Ų | 147.7 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | 176.8 | 119.7 | 138.9 | -98.9 | 155.1 | -170.9 | -175.6 | 3.5 | 115.2 | ||||
| 1169 | H | 24.3 | Very low | 28.9 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 75% | 0.75 | 75% | 0.753 | S | S | * | * | trans | 49.8 | 139.7 | 131.7 | -79 | -80.9 | 0 | 0 | 0 | 125.3 | ||||
| 1170 | C | 24.9 | Very low | 29 | Very low | 120 Ų | 120 | 147 Ų | 147 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | 95.4 | 152.6 | 148 | -68.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1171 | T | 25.9 | Very low | 29.3 | Very low | 133 Ų | 133 | 143.6 Ų | 143.6 | 82% | 0.816 | 73% | 0.734 | S | S | * | * | trans | -150.4 | 164.5 | -170.7 | 51.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 1172 | P | 38.4 | Very low | 29.6 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | cis | -119.4 | 179.7 | -28.8 | 38.8 | -25.9 | 0 | 0 | 0 | 110.5 | ||||
| 1173 | D | 27.6 | Very low | 29.7 | Very low | 143 Ų | 143 | 138 Ų | 138 | 77% | 0.765 | 71% | 0.705 | S | S | * | * | trans | -130.7 | 154.6 | 168.6 | -137.3 | -39.8 | 0 | 0 | 0 | 112.3 | ||||
| 1174 | V | 29 | Very low | 29.9 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 69% | 0.691 | 71% | 0.706 | S | S | * | * | trans | -114.3 | 2.8 | -154.8 | -173.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1175 | T | 28.7 | Very low | 30.2 | Very low | 127 Ų | 127 | 138 Ų | 138 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -92.3 | -9.3 | -167.7 | 44.5 | 0 | 0 | 0 | 0 | 116 | K1177 | T1175-K1177 PolarHBondContact O-N 3.32Š|
| 1176 | E | 35.5 | Very low | 30.6 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 72% | 0.724 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -82.7 | 9.4 | 179.7 | -143 | -171.4 | 176.6 | 0 | 0 | 114.3 | N1179 | E1176-N1179 PolarHBondContact O-ND2 2.86Š|
| 1177 | K | 33 | Very low | 30.4 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 74% | 0.735 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -83.7 | -8.9 | -168 | -143.4 | -174.8 | 178.7 | -166.2 | 0 | 115.7 | T1175 | T1175-K1177 PolarHBondContact O-N 3.32Š|
| 1178 | F | 27.2 | Very low | 30.7 | Very low | 207 Ų | 207 | 140 Ų | 140 | 91% | 0.908 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -102.5 | 64.2 | 169.1 | -80.3 | -77.1 | 0 | 0 | 0 | 110.5 | K1180 | F1178-K1180 PolarHBondContact O-N 3.46Š|
| 1179 | N | 35.7 | Very low | 30.9 | Very low | 69 Ų | 69 | 134.6 Ų | 134.6 | 37% | 0.369 | 71% | 0.705 | S | S | . | * | trans | -80.6 | 83.2 | -166.5 | -141.5 | -42.4 | 0 | 0 | 0 | 112.2 | E1176 F1181 R1962 | E1176-N1179 PolarHBondContact O-ND2 2.86Å; N1179-F1181 PolarHBondContact O-N 3.17Å; N1179-R1962 VanDerWaalsContact C-NH1 3.32Å; N1179-R1962 PolarHBondContact O-NH1 3.14Å; N1179-R1962 PolarHBondContact OD1-NH1 3.45Å; N1179-R1962 PolarHBondContact OD1-NH2 2.92Å | ||
| 1180 | K | 32.6 | Very low | 31.1 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 62% | 0.622 | 71% | 0.706 | S | S | * | * | trans | -28.9 | 118.1 | 169.5 | -175.8 | 179.9 | -176.7 | -115.1 | 0 | 113.8 | F1178 D1182 R1962 | F1178-K1180 PolarHBondContact O-N 3.46Å; K1180-D1182 WeakPolarHBondContact CD-OD2 3.28Å; K1180-D1182 WeakPolarHBondContact CE-OD2 3.44Å; K1180-D1182 IonicContact NZ-OD1 2.66Å; K1180-D1182 PolarHBondContact NZ-OD1 2.93Å; K1180-D1182 IonicContact NZ-OD2 2.79Å; K1180-D1182 PolarHBondContact NZ-OD2 3.04Å; K1180-D1182 PolarHBondContact O-N 2.97Å; K1180-R1962 PolarHBondContact O-NH1 3.06Å | ||
| 1181 | F | 34.5 | Very low | 31.6 | Very low | 59 Ų | 59 | 136.5 Ų | 136.5 | 26% | 0.259 | 71% | 0.707 | S | S | . | * | trans | -67.5 | 69.6 | -178.9 | -70.2 | -72.6 | 0 | 0 | 0 | 113.4 | N1179 E2069 R2072 | N1179-F1181 PolarHBondContact O-N 3.17Å; F1181-E2069 HydrophobicContact CD2-CG 4.45Å; F1181-E2069 WeakPolarHBondContact CD2-OE1 3.24Å; F1181-E2069 HydrophobicContact CE2-CG 4.27Å; F1181-R2072 PolarHBondContact O-NH2 3.03Å | ||
| 1182 | D | 32.4 | Very low | 31.7 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 42% | 0.417 | 71% | 0.705 | S | S | . | * | trans | -105.3 | 127.2 | 167.2 | -59.8 | -25.5 | 0 | 0 | 0 | 109.1 | K1180 | K1180-D1182 WeakPolarHBondContact CD-OD2 3.28Å; K1180-D1182 WeakPolarHBondContact CE-OD2 3.44Å; K1180-D1182 IonicContact NZ-OD1 2.66Å; K1180-D1182 PolarHBondContact NZ-OD1 2.93Å; K1180-D1182 IonicContact NZ-OD2 2.79Å; K1180-D1182 PolarHBondContact NZ-OD2 3.04Å; K1180-D1182 PolarHBondContact O-N 2.97Å | ||
| 1183 | L | 34.2 | Very low | 31.8 | Very low | 88 Ų | 88 | 139.8 Ų | 139.8 | 46% | 0.461 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -85.9 | 142 | 173 | -57.1 | -177.5 | 0 | 0 | 0 | 109.9 | E1960 | L1183-E1960 HydrophobicContact CD2-CB 3.66Å; L1183-E1960 HydrophobicContact CD2-CG 4Å; L1183-E1960 WeakPolarHBondContact CD2-O 3.35Å |
| 1184 | P | 28.8 | Very low | 31.9 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 126.7 | -178.8 | 27.8 | -33.6 | 0 | 0 | 0 | 110.8 | N1186 | P1184-N1186 PolarHBondContact O-N 2.96Š|
| 1185 | P | 32.2 | Very low | 31.9 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 79% | 0.792 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 134.6 | 176 | 28 | -33.8 | 0 | 0 | 0 | 110.4 | R1187 | P1185-R1187 PolarHBondContact O-N 3.12Š|
| 1186 | N | 33.7 | Very low | 32.4 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 90% | 0.904 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 130.4 | -177.4 | -154.3 | 1.5 | 0 | 0 | 0 | 110.2 | P1184 M1188 | P1184-N1186 PolarHBondContact O-N 2.96Å; N1186-M1188 PolarHBondContact O-N 2.78Å |
| 1187 | R | 26 | Very low | 32.4 | Very low | 239 Ų | 239 | 139.3 Ų | 139.3 | 90% | 0.902 | 71% | 0.708 | S | S | * | * | trans | -80.7 | 112.5 | -169.2 | -73.4 | -178.7 | 175.2 | 171 | -2.3 | 112.3 | P1185 | P1185-R1187 PolarHBondContact O-N 3.12Š| ||
| 1188 | M | 30.8 | Very low | 32.3 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 92% | 0.916 | 71% | 0.705 | S | S | * | * | trans | -116.7 | 154.5 | 147.3 | -71 | -171.3 | 69.8 | 0 | 0 | 109.4 | N1186 | N1186-M1188 PolarHBondContact O-N 2.78Š| ||
| 1189 | T | 32.7 | Very low | 32.8 | Very low | 115 Ų | 115 | 132 Ų | 132 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | trans | -100.9 | 138.2 | -159.2 | 46.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1190 | E | 30.4 | Very low | 32.8 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 78% | 0.78 | 71% | 0.708 | S | S | * | * | trans | 53.6 | 120.6 | 142 | -62.3 | 162.9 | -161.6 | 0 | 0 | 117.6 | ||||
| 1191 | N | 33.5 | Very low | 33 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 83% | 0.829 | 72% | 0.721 | S | S | * | * | -150.8 | 172.3 | 59.7 | -91.6 | -84.1 | 0 | 0 | 0 | 114.8 | |||||
| 1192 | E | 29.9 | Very low | 32.9 | Very low | 162 Ų | 162 | 140 Ų | 140 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | trans | -86.1 | 145.6 | -164.9 | -48.4 | -179.4 | 127.6 | 0 | 0 | 115.3 | ||||
| 1193 | T | 39.1 | Very low | 33 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 93% | 0.933 | 76% | 0.76 | S | S | * | * | trans | -123.7 | 125.3 | 134.8 | 45.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1194 | R | 29.6 | Very low | 32.9 | Very low | 207 Ų | 207 | 144.5 Ų | 144.5 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | -116.6 | 152.9 | -170.7 | 166.6 | -178.4 | 171 | 179.7 | -0.1 | 109.9 | ||||
| 1195 | S | 28.8 | Very low | 33.2 | Very low | 95 Ų | 95 | 145.8 Ų | 145.8 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | trans | 70.5 | 155 | 171.8 | -75 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1196 | T | 40 | Very low | 33.1 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | cis | -154.3 | 148.2 | 7.4 | -1.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1197 | V | 34.8 | Very low | 33.3 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 67% | 0.667 | 76% | 0.762 | S | S | * | * | trans | 44.6 | 108.2 | 145.8 | 174.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1198 | S | 31.9 | Very low | 33.6 | Very low | 95 Ų | 95 | 134 Ų | 134 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | 76.4 | 171.8 | 51.8 | 85.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 1199 | D | 37.2 | Very low | 33.5 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 67% | 0.674 | 72% | 0.722 | S | S | * | * | trans | 84.5 | 83.1 | 174.3 | -50.8 | 8.9 | 0 | 0 | 0 | 113.4 | ||||
| 1200 | T | 35.9 | Very low | 33.5 | Very low | 107 Ų | 107 | 132 Ų | 132 | 66% | 0.656 | 73% | 0.727 | S | S | * | * | 61.9 | 121.3 | 56.1 | 82.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1201 | W | 37.1 | Very low | 33.4 | Very low | 240 Ų | 240 | 131.9 Ų | 131.9 | 91% | 0.909 | 73% | 0.726 | S | S | * | * | -174 | 162.9 | 114.9 | -89.6 | 0.4 | 0 | 0 | 0 | 110 | |||||
| 1202 | S | 31.9 | Very low | 33 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | cis | 162.1 | 131.9 | -33 | -92.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 1203 | T | 35.3 | Very low | 32.9 | Very low | 137 Ų | 137 | 132 Ų | 132 | 84% | 0.84 | 73% | 0.725 | S | S | * | * | trans | -150.4 | 143.8 | 148.1 | -38.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1204 | D | 32.3 | Very low | 32.2 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 66% | 0.658 | 72% | 0.716 | S | S | * | * | trans | -49.5 | 152.3 | -169.9 | -43.5 | -69.7 | 0 | 0 | 0 | 113.9 | ||||
| 1205 | V | 34.6 | Very low | 32 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 87% | 0.867 | 72% | 0.72 | S | S | * | * | -121 | 136.8 | 69.5 | -175.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1206 | L | 30.8 | Very low | 31.9 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 57% | 0.571 | 73% | 0.726 | S | S | * | * | trans | -65 | 138 | 176.7 | -64.2 | 160.5 | 0 | 0 | 0 | 113.9 | ||||
| 1207 | P | 37.9 | Very low | 31.1 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 84% | 0.844 | 73% | 0.73 | S | S | * | * | trans | -105.2 | 98.1 | 148.6 | 33.2 | -22.6 | 0 | 0 | 0 | 109.6 | ||||
| 1208 | S | 30.4 | Very low | 30.8 | Very low | 43 Ų | 43 | 133.7 Ų | 133.7 | 30% | 0.301 | 74% | 0.735 | S | S | . | * | trans | -156.7 | 148.7 | -179.2 | 111.9 | 0 | 0 | 0 | 0 | 108.1 | Y781 | Y781-S1208 WeakPolarHBondContact CE1-OG 3.31Å; Y781-S1208 PolarHBondContact OH-O 3.45Å | ||
| 1209 | D | 29.4 | Very low | 30.5 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 67% | 0.674 | 73% | 0.734 | S | S | * | * | cis | -136.8 | 152.4 | -6.7 | -75.7 | -60.8 | 0 | 0 | 0 | 111.3 | ||||
| 1210 | T | 33.4 | Very low | 30 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 82% | 0.816 | 73% | 0.73 | S | S | * | * | trans | -101.3 | 130 | 143.2 | 48.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1211 | E | 26.8 | Very low | 29.6 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | trans | -170.3 | 170.4 | 146.7 | -110.4 | -175.8 | -163.9 | 0 | 0 | 113.3 | ||||
| 1212 | Y | 25.2 | Very low | 29 | Very low | 185 Ų | 185 | 128.8 Ų | 128.8 | 73% | 0.725 | 72% | 0.721 | S | S | * | * | trans | -9.7 | 156.3 | 172.6 | -58.6 | -71 | 0 | 0 | 0 | 121 | ||||
| 1213 | T | 28.7 | Very low | 28.7 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | cis | -150.9 | 152.7 | 33.2 | -37.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1214 | D | 24.5 | Very low | 28.2 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | trans | -97.2 | 177.7 | 178.4 | -161.2 | -5.6 | 0 | 0 | 0 | 111.9 | ||||
| 1215 | L | 24.8 | Very low | 27.8 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 87% | 0.869 | 72% | 0.721 | S | S | * | * | trans | 72.4 | 138.7 | -178.6 | -42.8 | 175.5 | 0 | 0 | 0 | 114.2 | ||||
| 1216 | G | 26.8 | Very low | 27.3 | Very low | 78 Ų | 78 | 131 Ų | 131 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | cis | -178.6 | 179.5 | -2.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1217 | Q | 24.2 | Very low | 26.9 | Very low | 171 Ų | 171 | 132.8 Ų | 132.8 | 80% | 0.799 | 73% | 0.727 | S | S | * | * | cis | -158.2 | -175.3 | 4 | -162.2 | 167.3 | 16.5 | 0 | 0 | 108.1 | ||||
| 1218 | E | 27 | Very low | 26.7 | Very low | 164 Ų | 164 | 131.8 Ų | 131.8 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | trans | 86.2 | 127.9 | 173.8 | -46.2 | -145.2 | 143.9 | 0 | 0 | 117.7 | ||||
| 1219 | F | 26.8 | Very low | 26.4 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | cis | -156.6 | 155.7 | -25.2 | -117.3 | -55.2 | 0 | 0 | 0 | 111.8 | ||||
| 1220 | S | 25.6 | Very low | 26.2 | Very low | 83 Ų | 83 | 133.9 Ų | 133.9 | 58% | 0.58 | 74% | 0.74 | S | S | * | * | trans | 68.8 | 106.1 | 146.6 | -69.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1221 | N | 27.4 | Very low | 25.8 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | 92.8 | 138.3 | 128.1 | -58.5 | -8.5 | 0 | 0 | 0 | 119.6 | |||||
| 1222 | S | 24.3 | Very low | 25.8 | Very low | 86 Ų | 86 | 129 Ų | 129 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | cis | 178 | 152 | -29 | 44.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1223 | Q | 26.8 | Very low | 26 | Very low | 176 Ų | 176 | 131.2 Ų | 131.2 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | 56.5 | 103.5 | 147.7 | -73.8 | 175 | -4.6 | 0 | 0 | 117.6 | ||||
| 1224 | S | 23.8 | Very low | 25.9 | Very low | 88 Ų | 88 | 133.7 Ų | 133.7 | 62% | 0.615 | 73% | 0.73 | S | S | * | * | 83 | 152.2 | 70.5 | 74.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1225 | N | 24.9 | Very low | 26.1 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | trans | 83.6 | 118.4 | 153.3 | -68.7 | -17.7 | 0 | 0 | 0 | 120.7 | ||||
| 1226 | L | 24.3 | Very low | 26.2 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | 71.1 | 131.2 | 128.1 | -60.5 | 170.9 | 0 | 0 | 0 | 120.4 | |||||
| 1227 | N | 22.5 | Very low | 26.5 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | 26.2 | 152.3 | 110.2 | -96.3 | -7.2 | 0 | 0 | 0 | 120.4 | |||||
| 1228 | P | 33.2 | Very low | 26.8 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | -103.1 | -168.4 | -119.3 | 40.4 | -42.3 | 0 | 0 | 0 | 115.4 | |||||
| 1229 | D | 24.1 | Very low | 27 | Very low | 130 Ų | 130 | 130 Ų | 130 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | trans | 76.3 | 98.3 | 162.6 | -86.3 | -16.6 | 0 | 0 | 0 | 118.7 | ||||
| 1230 | A | 24.9 | Very low | 27.2 | Very low | 84 Ų | 84 | 129.1 Ų | 129.1 | 69% | 0.694 | 73% | 0.726 | S | S | * | * | 73.4 | 104.6 | 109.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1231 | A | 25.1 | Very low | 27.4 | Very low | 89 Ų | 89 | 130.7 Ų | 130.7 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | 90.9 | 138.5 | 106.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1232 | V | 27.6 | Very low | 27.3 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 63% | 0.63 | 74% | 0.737 | S | S | * | * | trans | 74.2 | 119 | 145.8 | 172.8 | 0 | 0 | 0 | 0 | 118.5 | R1234 | V1232-R1234 HydrophobicContact CG1-CG 4Š| ||
| 1233 | R | 28.9 | Very low | 27.5 | Very low | 232 Ų | 232 | 137 Ų | 137 | 88% | 0.875 | 75% | 0.746 | S | S | * | * | -164.6 | 148.5 | 125.4 | -98.3 | 175.5 | -127.9 | -170.2 | 4.7 | 110.3 | |||||
| 1234 | R | 26.3 | Very low | 27.5 | Very low | 188 Ų | 188 | 133.1 Ų | 133.1 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | cis | -177.4 | 168.9 | -31.7 | -128.4 | -178.8 | -153.6 | 156.2 | 7.3 | 111.2 | V1232 | V1232-R1234 HydrophobicContact CG1-CG 4Š| ||
| 1235 | L | 29 | Very low | 27.8 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | trans | 69.6 | 153.1 | 157 | -63.1 | 151.8 | 0 | 0 | 0 | 116.5 | ||||
| 1236 | S | 26 | Very low | 27.9 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | cis | -172.2 | 162 | -26.7 | 53.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1237 | S | 33.3 | Very low | 28.2 | Very low | 93 Ų | 93 | 145.7 Ų | 145.7 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | cis | -171.5 | 151.5 | 31.5 | 44.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1238 | H | 30.2 | Very low | 28.5 | Very low | 190 Ų | 190 | 142.1 Ų | 142.1 | 88% | 0.88 | 76% | 0.757 | S | S | * | * | trans | 39.8 | 147.5 | 144.7 | -57.9 | -57.4 | 0 | 0 | 0 | 122.3 | ||||
| 1239 | S | 31.6 | Very low | 28.3 | Very low | 99 Ų | 99 | 145.2 Ų | 145.2 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | cis | -161.6 | 153.2 | 20.1 | 55.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1240 | V | 32.6 | Very low | 28.4 | Very low | 129 Ų | 129 | 148.5 Ų | 148.5 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | 67.6 | 126.3 | 143.9 | 165.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1241 | T | 29.5 | Very low | 28.5 | Very low | 117 Ų | 117 | 152.1 Ų | 152.1 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | cis | -158.5 | 160.8 | 7 | 3.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1242 | R | 25.5 | Very low | 28.8 | Very low | 234 Ų | 234 | 154.7 Ų | 154.7 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | 84.4 | 147.1 | 151.6 | -78.5 | -179.4 | 176.5 | 178.9 | 0.4 | 121.5 | ||||
| 1243 | V | 28.4 | Very low | 28.6 | Very low | 132 Ų | 132 | 158.3 Ų | 158.3 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | 79 | 125.4 | 170 | -158.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1244 | S | 26.9 | Very low | 28.5 | Very low | 95 Ų | 95 | 158.8 Ų | 158.8 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | trans | 33.4 | 147.7 | 167.8 | 46.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1245 | H | 28.9 | Very low | 28.7 | Very low | 188 Ų | 188 | 161 Ų | 161 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | cis | -146 | 169.1 | -12.4 | -101.5 | -60.3 | 0 | 0 | 0 | 108.4 | ||||
| 1246 | R | 28 | Very low | 29.2 | Very low | 232 Ų | 232 | 157.7 Ų | 157.7 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | trans | -124.7 | 160.8 | 174.5 | -83.8 | -175.9 | 174.5 | -174.6 | 0.1 | 108.6 | ||||
| 1247 | R | 29 | Very low | 29.7 | Very low | 213 Ų | 213 | 155.6 Ų | 155.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | cis | 160.1 | 145.4 | -10.5 | -167.1 | -173.9 | -161.1 | -155.9 | 7.2 | 103.9 | ||||
| 1248 | G | 30 | Very low | 29.4 | Very low | 70 Ų | 70 | 156.5 Ų | 156.5 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | -160 | 147.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1249 | H | 28.7 | Very low | 29.7 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | trans | -144.9 | 178.5 | -172.2 | -95.6 | -71.3 | 0 | 0 | 0 | 113.4 | ||||
| 1250 | R | 26.9 | Very low | 29.6 | Very low | 199 Ų | 199 | 155.6 Ų | 155.6 | 75% | 0.751 | 75% | 0.753 | S | S | * | * | trans | -79.7 | 154.3 | -169.8 | -70.3 | 177.6 | 173.8 | 161.9 | -4.2 | 115.8 | ||||
| 1251 | H | 26.9 | Very low | 29.7 | Very low | 159 Ų | 159 | 154.5 Ų | 154.5 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | 63.7 | 166.3 | 146.6 | -70.8 | -56.4 | 0 | 0 | 0 | 123.2 | ||||
| 1252 | H | 30.3 | Very low | 29.9 | Very low | 143 Ų | 143 | 156.1 Ų | 156.1 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | trans | -84.9 | 160.5 | -152.2 | -45.9 | -89.7 | 0 | 0 | 0 | 116.1 | ||||
| 1253 | H | 24.9 | Very low | 30.2 | Very low | 180 Ų | 180 | 151.7 Ų | 151.7 | 83% | 0.833 | 75% | 0.746 | S | S | * | * | -172.7 | -161.5 | 100.4 | -95.8 | -66.6 | 0 | 0 | 0 | 112.8 | |||||
| 1254 | R | 25.4 | Very low | 30.2 | Very low | 243 Ų | 243 | 151.2 Ų | 151.2 | 92% | 0.917 | 74% | 0.739 | S | S | * | * | trans | -83.8 | 177.3 | -157.9 | -67.5 | 176.2 | 171.9 | 168.9 | -4.3 | 115.5 | ||||
| 1255 | R | 30 | Very low | 30.2 | Very low | 233 Ų | 233 | 154.4 Ų | 154.4 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | trans | -67.6 | 160.2 | -177.3 | -82 | 179.9 | 168.5 | 164 | -4.6 | 115.1 | N1271 | R1255-N1271 PolarHBondContact O-ND2 2.72Š| ||
| 1256 | A | 41.3 | Very low | 30.1 | Very low | 87 Ų | 87 | 150.6 Ų | 150.6 | 72% | 0.719 | 74% | 0.738 | S | S | * | * | trans | -93.1 | 162.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1257 | P | 34.6 | Very low | 30.1 | Very low | 57 Ų | 57 | 144.5 Ų | 144.5 | 37% | 0.37 | 73% | 0.731 | S | S | . | * | -154.6 | -178.1 | 119 | 42.6 | -26.3 | 0 | 0 | 0 | 115 | N1270 | P1257-N1270 WeakPolarHBondContact CD-O 3.31Å; P1257-N1270 HydrophobicContact CG-CB 3.82Å; P1257-N1270 WeakPolarHBondContact CG-O 3.49Å | |||
| 1258 | M | 27.7 | Very low | 30 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 55% | 0.552 | 73% | 0.731 | S | S | * | * | trans | -179.9 | 158.3 | 131.8 | -92.9 | -52.7 | -160.8 | 0 | 0 | 109.2 | N1270 N1271 F1272 | M1258-N1270 WeakPolarHBondContact CE-O 3.49Å; M1258-N1271 VanDerWaalsContact CG-O 3.24Å; M1258-N1271 WeakPolarHBondContact CG-O 3.26Å; M1258-F1272 HydrophobicContact CB-CD2 3.84Å; M1258-F1272 HydrophobicContact CB-CE2 4.01Å; M1258-F1272 HydrophobicContact CG-CD2 3.85Å | ||
| 1259 | P | 37.5 | Very low | 29.9 | Very low | 106 Ų | 106 | 145.5 Ų | 145.5 | 69% | 0.688 | 73% | 0.731 | S | S | * | * | trans | -113.4 | -116.9 | -144.6 | 33.5 | -12.4 | 0 | 0 | 0 | 114.5 | ||||
| 1260 | E | 28.6 | Very low | 29.7 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 77% | 0.771 | 71% | 0.711 | S | S | * | * | cis | -160 | 145.1 | 13.1 | -167.4 | 176.9 | -65.2 | 0 | 0 | 112.1 | ||||
| 1261 | S | 35.7 | Very low | 29.7 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 70% | 0.698 | S | S | * | * | trans | -164.4 | 116.9 | 149.4 | 64.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1262 | L | 33.4 | Very low | 29.6 | Very low | 150 Ų | 150 | 136 Ų | 136 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | trans | 31.5 | 134 | 144.9 | -52.8 | 177.8 | 0 | 0 | 0 | 119.8 | ||||
| 1263 | I | 30.8 | Very low | 29.6 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 72% | 0.723 | 71% | 0.707 | S | S | * | * | cis | -159 | 137.4 | -0.2 | -88.9 | 152.2 | 0 | 0 | 0 | 102.2 | ||||
| 1264 | N | 28.2 | Very low | 29.6 | Very low | 123 Ų | 123 | 137 Ų | 137 | 66% | 0.658 | 71% | 0.707 | S | S | * | * | -164 | 159.2 | 52 | -151.9 | 20.1 | 0 | 0 | 0 | 111.3 | |||||
| 1265 | E | 26.6 | Very low | 29.8 | Very low | 161 Ų | 161 | 130 Ų | 130 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | trans | 58.7 | 130.6 | 157.9 | -72.2 | 165 | -151.9 | 0 | 0 | 122.1 | ||||
| 1266 | S | 27.4 | Very low | 29.5 | Very low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | trans | 62.9 | 100 | 163.2 | 56.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1267 | S | 28.3 | Very low | 28.8 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 72% | 0.72 | 70% | 0.7 | S | S | * | * | 38.7 | 138.2 | 125.6 | 62.6 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1268 | E | 27.1 | Very low | 28.9 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | cis | -169.4 | 177.5 | 0.3 | -125 | 174.8 | -152.9 | 0 | 0 | 111.4 | ||||
| 1269 | N | 27 | Very low | 28.9 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | trans | 79.9 | 133.2 | -178 | -54.9 | -85 | 0 | 0 | 0 | 114.8 | ||||
| 1270 | N | 25.3 | Very low | 28.5 | Very low | 75 Ų | 75 | 132.4 Ų | 132.4 | 40% | 0.401 | 72% | 0.724 | S | S | . | * | cis | -151 | 166.4 | 21.5 | -108.9 | -42.6 | 0 | 0 | 0 | 111.6 | P1257 M1258 | P1257-N1270 WeakPolarHBondContact CD-O 3.31Å; P1257-N1270 HydrophobicContact CG-CB 3.82Å; P1257-N1270 WeakPolarHBondContact CG-O 3.49Å; M1258-N1270 WeakPolarHBondContact CE-O 3.49Å | ||
| 1271 | N | 26.5 | Very low | 28.4 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 47% | 0.471 | 72% | 0.722 | S | S | . | * | trans | 55.3 | 117.5 | 158.4 | -57.2 | -17.1 | 0 | 0 | 0 | 121.6 | R1255 M1258 | R1255-N1271 PolarHBondContact O-ND2 2.72Å; M1258-N1271 VanDerWaalsContact CG-O 3.24Å; M1258-N1271 WeakPolarHBondContact CG-O 3.26Å | ||
| 1272 | F | 25.8 | Very low | 28.2 | Very low | 170 Ų | 170 | 131 Ų | 131 | 75% | 0.746 | 72% | 0.722 | S | S | * | * | -165.6 | 151.4 | 127 | -119.8 | -71.3 | 0 | 0 | 0 | 113 | M1258 | M1258-F1272 HydrophobicContact CB-CD2 3.84Å; M1258-F1272 HydrophobicContact CB-CE2 4.01Å; M1258-F1272 HydrophobicContact CG-CD2 3.85Å | |||
| 1273 | R | 29.2 | Very low | 27.9 | Very low | 224 Ų | 224 | 130.5 Ų | 130.5 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | trans | 61.6 | 130.4 | 173.8 | -64.4 | -175.7 | 174.4 | -169.5 | -2.8 | 115.6 | ||||
| 1274 | S | 25.1 | Very low | 27.9 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | cis | 66.5 | 83.7 | 11.2 | -46.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1275 | A | 29.2 | Very low | 28 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 79% | 0.793 | 72% | 0.723 | S | S | * | * | trans | -171.8 | 159.1 | 139.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1276 | N | 24.5 | Very low | 28.3 | Very low | 151 Ų | 151 | 133 Ų | 133 | 81% | 0.807 | 73% | 0.725 | S | S | * | * | cis | -177.5 | 173.6 | -43.6 | -136.1 | -5.7 | 0 | 0 | 0 | 107.4 | ||||
| 1277 | V | 26.7 | Very low | 28.1 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | trans | 76.6 | 143.9 | 149.2 | 151.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1278 | P | 36.5 | Very low | 28.3 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | -140.3 | -101 | -123.9 | 39.6 | -17 | 0 | 0 | 0 | 114.2 | |||||
| 1279 | S | 27.7 | Very low | 28.1 | Very low | 91 Ų | 91 | 138.3 Ų | 138.3 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | trans | 74.5 | 144.4 | 171.7 | 7.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 1280 | E | 29.1 | Very low | 28.1 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | cis | -161.9 | 148.3 | -4.4 | -135.2 | 152.8 | -144.8 | 0 | 0 | 113.7 | ||||
| 1281 | S | 27.2 | Very low | 28.2 | Very low | 102 Ų | 102 | 141.8 Ų | 141.8 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | 64.4 | 161.9 | 146.5 | 76.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1282 | D | 31.8 | Very low | 28.2 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | cis | -145.3 | -175.3 | 4.1 | -142.1 | -29.1 | 0 | 0 | 0 | 113.8 | ||||
| 1283 | N | 26.5 | Very low | 28.1 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -110.3 | 179.8 | -164.1 | -57.8 | -96.7 | 0 | 0 | 0 | 113.5 | ||||
| 1284 | R | 31.4 | Very low | 27.7 | Very low | 212 Ų | 212 | 134.2 Ų | 134.2 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | 116.2 | 152.4 | 169.5 | -69.9 | -179.6 | 139 | 131.1 | 0.5 | 114 | ||||
| 1285 | E | 29.3 | Very low | 28 | Very low | 134 Ų | 134 | 134 Ų | 134 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | cis | -158.4 | 168.3 | -15.3 | -117.3 | 157.3 | -173.7 | 0 | 0 | 110.7 | ||||
| 1286 | T | 32 | Very low | 27.7 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 46.6 | 128.3 | 154.9 | 53.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1287 | Q | 23.9 | Very low | 27.6 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | trans | -84.7 | 165.5 | 153 | -67.8 | -174.4 | -25.6 | 0 | 0 | 111.5 | ||||
| 1288 | P | 32 | Very low | 27.5 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 86% | 0.857 | 74% | 0.739 | S | S | * | * | -111.5 | 162.2 | 126.6 | 34 | -33.8 | 0 | 0 | 0 | 112.5 | |||||
| 1289 | R | 22.9 | Very low | 27 | Very low | 199 Ų | 199 | 134.3 Ų | 134.3 | 75% | 0.751 | 74% | 0.743 | S | S | * | * | trans | -144.1 | 121.7 | -167.7 | 167.9 | -171.9 | 175.7 | -178.3 | 0.3 | 110.3 | ||||
| 1290 | V | 27.6 | Very low | 26.8 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | trans | -139.8 | 105.4 | 168.5 | 178 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1291 | H | 27.1 | Very low | 26.7 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | 61.4 | 133.9 | 96.3 | -60.7 | -71.5 | 0 | 0 | 0 | 113 | |||||
| 1292 | S | 26.9 | Very low | 26.6 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | cis | -157 | 160.7 | 3 | 38.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1293 | S | 22.9 | Very low | 26.3 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | -66.2 | 157.2 | 169.7 | 49.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1294 | S | 22.3 | Very low | 26.1 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | 73.5 | 162.5 | 156.8 | -54.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1295 | P | 30.2 | Very low | 25.7 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 74% | 0.74 | 73% | 0.732 | S | S | * | * | cis | -132.7 | -149.8 | 11.4 | 45.9 | -28.1 | 0 | 0 | 0 | 114.9 | ||||
| 1296 | L | 24.2 | Very low | 25.4 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 68% | 0.681 | 74% | 0.735 | S | S | * | * | trans | -27.2 | 147.6 | 164.4 | -77.3 | 79.4 | 0 | 0 | 0 | 116 | ||||
| 1297 | N | 21.9 | Very low | 25 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 78% | 0.781 | 73% | 0.725 | S | S | * | * | 63.7 | 154.1 | 67.4 | -92.7 | 31.1 | 0 | 0 | 0 | 114.3 | |||||
| 1298 | D | 23.8 | Very low | 24.9 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | trans | 80.9 | 59 | 168.2 | -50.9 | -20.2 | 0 | 0 | 0 | 118.3 | ||||
| 1299 | A | 27.3 | Very low | 24.5 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 79% | 0.793 | 72% | 0.72 | S | S | * | * | -153.4 | 123.5 | 120.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 1300 | I | 22.4 | Very low | 24.5 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | cis | 56.5 | 80.4 | 7.6 | -46.4 | -178.4 | 0 | 0 | 0 | 113 | V1302 | I1300-V1302 HydrophobicContact CG2-CG2 4.02Š| ||
| 1301 | N | 26.7 | Very low | 24.5 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 77% | 0.765 | 72% | 0.717 | S | S | * | * | -136.9 | 139 | 109 | -86 | -28.6 | 0 | 0 | 0 | 107.2 | |||||
| 1302 | V | 24.8 | Very low | 24.2 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 59% | 0.588 | 72% | 0.721 | S | S | * | * | cis | 70.3 | 115.6 | 47 | 176.9 | 0 | 0 | 0 | 0 | 108.8 | I1300 | I1300-V1302 HydrophobicContact CG2-CG2 4.02Š| ||
| 1303 | E | 25.9 | Very low | 24.1 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | cis | -134.7 | 154.3 | -0.7 | -98.1 | 145.1 | 174.6 | 0 | 0 | 107.6 | ||||
| 1304 | E | 23 | Very low | 24.1 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 76% | 0.757 | 71% | 0.711 | S | S | * | * | 37.3 | 131.4 | 86.9 | -73.2 | -167.8 | -174.3 | 0 | 0 | 115.6 | |||||
| 1305 | N | 22.5 | Very low | 24.2 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 70% | 0.695 | 71% | 0.707 | S | S | * | * | trans | 67.4 | 147.5 | 160.4 | -59.3 | -28.3 | 0 | 0 | 0 | 116.8 | ||||
| 1306 | E | 23.2 | Very low | 24.2 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | cis | -155.1 | 157.2 | 1.3 | -132.9 | -176.6 | -120.8 | 0 | 0 | 111.8 | ||||
| 1307 | N | 22.8 | Very low | 24.2 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 60% | 0.604 | 72% | 0.715 | S | S | * | * | trans | 45.5 | 132.6 | 140.7 | -74.4 | -25.6 | 0 | 0 | 0 | 123 | ||||
| 1308 | N | 22.7 | Very low | 24.8 | Very low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | trans | 60.4 | 109.6 | 140.8 | -60.1 | -31.4 | 0 | 0 | 0 | 120 | ||||
| 1309 | L | 24.2 | Very low | 24.9 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 78% | 0.78 | 71% | 0.714 | S | S | * | * | -174 | 129 | 116.9 | -110.7 | 55.3 | 0 | 0 | 0 | 106.5 | |||||
| 1310 | H | 22.6 | Very low | 25.3 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | 60.9 | 158.2 | 89.2 | -83.7 | -88 | 0 | 0 | 0 | 116.5 | |||||
| 1311 | V | 27.2 | Very low | 25.9 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 71% | 0.709 | 72% | 0.719 | S | S | * | * | trans | 75.3 | 99.4 | 172 | -161.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1312 | L | 21.8 | Very low | 25.9 | Very low | 150 Ų | 150 | 140 Ų | 140 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | 69 | 162.3 | 53.6 | -60.8 | 167.3 | 0 | 0 | 0 | 114.5 | |||||
| 1313 | N | 24.7 | Very low | 26.1 | Very low | 124 Ų | 124 | 140 Ų | 140 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | trans | 72.3 | 85.2 | 160.6 | -73.4 | 45.1 | 0 | 0 | 0 | 118.8 | ||||
| 1314 | D | 22.2 | Very low | 26.4 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 62% | 0.62 | 73% | 0.725 | S | S | * | * | 88.4 | 109.6 | 100.8 | -79.2 | -47 | 0 | 0 | 0 | 121.8 | |||||
| 1315 | S | 23.6 | Very low | 27 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | 49.7 | 94.7 | 100.5 | -45.3 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1316 | I | 31.7 | Very low | 27.1 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 88% | 0.882 | 72% | 0.724 | S | S | * | * | trans | -123.1 | 109 | 148.6 | -64.9 | -174.6 | 0 | 0 | 0 | 110.4 | ||||
| 1317 | H | 23.7 | Very low | 27.6 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 71% | 0.708 | 73% | 0.729 | S | S | * | * | trans | -54.4 | 151.7 | 165.8 | -92.7 | -49.9 | 0 | 0 | 0 | 112.5 | V1319 | H1317-V1319 HydrophobicContact CB-CG2 3.97Å; H1317-V1319 WeakPolarHBondContact ND1-CG2 3.47Å | ||
| 1318 | P | 33.2 | Very low | 28 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | -131.1 | 144.9 | 68.3 | 41.8 | -29.4 | 0 | 0 | 0 | 112.8 | |||||
| 1319 | V | 26 | Very low | 28 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | 57.5 | 104.5 | 56.2 | -169.5 | 0 | 0 | 0 | 0 | 112.7 | H1317 | H1317-V1319 HydrophobicContact CB-CG2 3.97Å; H1317-V1319 WeakPolarHBondContact ND1-CG2 3.47Å | |||
| 1320 | I | 35.5 | Very low | 28.2 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | -174.7 | 135.5 | 123.4 | -98.2 | 163 | 0 | 0 | 0 | 109 | |||||
| 1321 | M | 35.1 | Very low | 28.4 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | trans | 38.6 | 105.1 | 165.4 | -64.5 | 176.8 | -175.2 | 0 | 0 | 118.4 | ||||
| 1322 | R | 26.9 | Very low | 28.4 | Very low | 224 Ų | 224 | 130.4 Ų | 130.4 | 85% | 0.845 | 72% | 0.723 | S | S | * | * | 74.7 | 150.4 | 64.1 | -74.5 | -179.2 | 165.4 | -179.3 | -4 | 114.3 | |||||
| 1323 | S | 30.5 | Very low | 28.5 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 67% | 0.671 | 71% | 0.708 | S | S | * | * | trans | 58.6 | 83.1 | 147.5 | 55.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1324 | S | 31.3 | Very low | 28.4 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | -38.3 | 133.7 | 118.6 | 39.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1325 | P | 36 | Very low | 28.7 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 72% | 0.721 | 71% | 0.711 | S | S | * | * | trans | -64.5 | 118.8 | 145.2 | -12.1 | 29.1 | 0 | 0 | 0 | 107.2 | ||||
| 1326 | T | 25.1 | Very low | 29 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 71% | 0.712 | 70% | 0.695 | S | S | * | * | 47.8 | 114 | 93.8 | 64.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1327 | T | 31.9 | Very low | 28.6 | Very low | 126 Ų | 126 | 121.7 Ų | 121.7 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | cis | -160.8 | 174.2 | 8.6 | -6.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1328 | S | 31.3 | Very low | 28.8 | Very low | 107 Ų | 107 | 118.9 Ų | 118.9 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | cis | -163.7 | 150.3 | 15.2 | 35 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1329 | Q | 23.6 | Very low | 28.4 | Very low | 150 Ų | 150 | 121.7 Ų | 121.7 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | cis | 51 | 114.3 | 1.2 | -68.1 | -176.1 | -19.7 | 0 | 0 | 116.3 | ||||
| 1330 | C | 27.9 | Very low | 28.4 | Very low | 108 Ų | 108 | 122 Ų | 122 | 73% | 0.73 | 70% | 0.695 | S | S | * | * | cis | -82.3 | 154.2 | 14 | -55.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 1331 | Q | 26.6 | Very low | 27.8 | Very low | 131 Ų | 131 | 121.3 Ų | 121.3 | 61% | 0.612 | 69% | 0.692 | S | S | * | * | cis | 37.4 | 79.5 | -11.2 | -157.3 | 179.8 | 8.9 | 0 | 0 | 117.5 | N1333 | Q1331-N1333 WeakPolarHBondContact CG-OD1 3.3Å; Q1331-N1333 PolarHBondContact NE2-OD1 2.94Å; Q1331-N1333 PolarHBondContact O-ND2 2.99Å | ||
| 1332 | D | 28.4 | Very low | 27.3 | Very low | 127 Ų | 127 | 119.5 Ų | 119.5 | 68% | 0.679 | 69% | 0.685 | S | S | * | * | trans | -126.9 | 121.2 | 130.7 | -80.6 | -55.2 | 0 | 0 | 0 | 106.9 | ||||
| 1333 | N | 22.9 | Very low | 27.2 | Very low | 89 Ų | 89 | 112.1 Ų | 112.1 | 48% | 0.476 | 67% | 0.668 | S | S | . | * | cis | 95.5 | 145.1 | 35.7 | -73.6 | -35.1 | 0 | 0 | 0 | 112.6 | Q1331 | Q1331-N1333 WeakPolarHBondContact CG-OD1 3.3Å; Q1331-N1333 PolarHBondContact NE2-OD1 2.94Å; Q1331-N1333 PolarHBondContact O-ND2 2.99Å | ||
| 1334 | L | 24.1 | Very low | 27.1 | Very low | 145 Ų | 145 | 109.9 Ų | 109.9 | 76% | 0.759 | 65% | 0.649 | S | S | * | * | trans | 52.1 | 119.4 | 146.8 | -64.5 | 162.2 | 0 | 0 | 0 | 117.3 | L1337 | L1334-L1337 HydrophobicContact CD2-CD1 3.65Å; L1334-L1337 HydrophobicContact CD2-CG 4.36Å | ||
| 1335 | G | 26.7 | Very low | 27.1 | Very low | 56 Ų | 56 | 111 Ų | 111 | 58% | 0.577 | 64% | 0.642 | S | S | * | * | cis | 155.1 | -164.1 | 33 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1336 | G | 30.3 | Very low | 26.7 | Very low | 35 Ų | 35 | 110.5 Ų | 110.5 | 36% | 0.361 | 64% | 0.641 | S | S | . | * | cis | -89.2 | 173.4 | -5.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1337 | L | 23.7 | Very low | 26.8 | Very low | 154 Ų | 154 | 108.6 Ų | 108.6 | 81% | 0.806 | 63% | 0.627 | S | S | * | * | cis | 66.6 | 89.8 | 28.4 | -64.9 | 171.2 | 0 | 0 | 0 | 114.9 | L1334 | L1334-L1337 HydrophobicContact CD2-CD1 3.65Å; L1334-L1337 HydrophobicContact CD2-CG 4.36Å | ||
| 1338 | S | 28.1 | Very low | 26.7 | Very low | 93 Ų | 93 | 107.5 Ų | 107.5 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | trans | -154.3 | 99.4 | 147.9 | 43.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1339 | Q | 23.5 | Very low | 26.4 | Very low | 181 Ų | 181 | 109.6 Ų | 109.6 | 85% | 0.846 | 61% | 0.61 | S | S | * | * | trans | -62.1 | 164.1 | 142.5 | -91.4 | -174.3 | -5.1 | 0 | 0 | 108.5 | ||||
| 1340 | P | 27.2 | Very low | 26.3 | Very low | 103 Ų | 103 | 106.8 Ų | 106.8 | 67% | 0.669 | 61% | 0.606 | S | S | * | * | cis | -158.4 | 178.1 | 45.1 | 47.1 | -26 | 0 | 0 | 0 | 119.8 | ||||
| 1341 | I | 22.8 | Very low | 26.1 | Very low | 136 Ų | 136 | 106 Ų | 106 | 70% | 0.697 | 60% | 0.602 | S | S | * | * | trans | 50.1 | 130.4 | 132.8 | -68.3 | 167.3 | 0 | 0 | 0 | 120.9 | ||||
| 1342 | N | 24.8 | Very low | 25.8 | Very low | 116 Ų | 116 | 101.4 Ų | 101.4 | 62% | 0.62 | 58% | 0.583 | S | S | * | * | trans | 66.5 | 100.8 | 168.2 | -59.1 | -13.7 | 0 | 0 | 0 | 116.3 | ||||
| 1343 | S | 25.2 | Very low | 25.5 | Very low | 69 Ų | 69 | 99.2 Ų | 99.2 | 48% | 0.483 | 58% | 0.577 | S | S | . | * | 69.4 | 169.6 | 72.9 | 72.4 | 0 | 0 | 0 | 0 | 113.1 | L749 Q750 D751 | L749-S1343 CarbonylContact O-C 3.45Å; L749-S1343 VanDerWaalsContact O-C 3.26Å; L749-S1343 VanDerWaalsContact O-CB 3.28Å; L749-S1343 WeakPolarHBondContact O-CB 3.5Å; L749-S1343 PolarHBondContact O-OG 3.48Å; Q750-S1343 CarbonylContact C-O 3.36Å; Q750-S1343 VanDerWaalsContact C-O 3.25Å; D751-S1343 PolarHBondContact N-O 3.17Å | |||
| 1344 | D | 27.4 | Very low | 25.4 | Very low | 50 Ų | 50 | 99.3 Ų | 99.3 | 27% | 0.267 | 58% | 0.577 | S | S | . | * | cis | -88.5 | -170.6 | 13.2 | -112.5 | -38 | 0 | 0 | 0 | 113.6 | S748 L749 Q750 | S748-D1344 VanDerWaalsContact CB-OD1 3.32Å; S748-D1344 WeakPolarHBondContact CB-OD1 3.47Å; L749-D1344 VanDerWaalsContact CA-CG 3.42Å; L749-D1344 VanDerWaalsContact CA-OD1 3.29Å; L749-D1344 WeakPolarHBondContact CA-OD1 3.25Å; L749-D1344 VanDerWaalsContact CA-OD2 3.23Å; L749-D1344 WeakPolarHBondContact CA-OD2 3.27Å; L749-D1344 PolarHBondContact N-OD1 3.15Å; L749-D1344 VanDerWaalsContact N-OD1 3.11Å; L749-D1344 WeakPolarHBondContact O-CA 3.49Å; L749-D1344 WeakPolarHBondContact O-CB 3.48Å; L749-D1344 PolarHBondContact O-N 3.11Å; L749-D1344 VanDerWaalsContact O-N 3.09Å; L749-D1344 VanDerWaalsContact O-OD1 3.13Å; Q750-D1344 HydrophobicContact CG-CB 4.18Å; Q750-D1344 WeakPolarHBondContact CG-OD2 3.45Å; Q750-D1344 PolarHBondContact N-OD2 3.34Å; Q750-D1344 PolarHBondContact NE2-OD2 3.16Å | ||
| 1345 | H | 31.1 | Very low | 25.4 | Very low | 129 Ų | 129 | 99.4 Ų | 99.4 | 60% | 0.597 | 58% | 0.578 | S | S | * | * | S | Bend | cis | -145.7 | 135 | -4.1 | -126.5 | -14.6 | 0 | 0 | 0 | 106.2 | ||
| 1346 | S | 28.9 | Very low | 25.2 | Very low | 100 Ų | 100 | 102 Ų | 102 | 70% | 0.699 | 59% | 0.588 | S | S | * | * | trans | 57.8 | 118.8 | 179 | 62.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1347 | N | 26.7 | Very low | 24.9 | Very low | 76 Ų | 76 | 104.6 Ų | 104.6 | 41% | 0.406 | 61% | 0.606 | S | S | . | * | cis | 63.1 | 136.1 | 42.4 | -57.2 | -9.2 | 0 | 0 | 0 | 113.2 | N746 E747 | N746-N1347 WeakPolarHBondContact OD1-CB 3.31Å; N746-N1347 PolarHBondContact OD1-ND2 3.28Å; E747-N1347 PolarHBondContact O-ND2 2.87Å; E747-N1347 VanDerWaalsContact O-ND2 3.13Å | ||
| 1348 | H | 28.6 | Very low | 24.9 | Very low | 103 Ų | 103 | 103.1 Ų | 103.1 | 48% | 0.477 | 60% | 0.603 | S | S | . | * | cis | -155.8 | -178.7 | 9.4 | -128.4 | 2.8 | 0 | 0 | 0 | 116.1 | N746 | N746-H1348 WeakPolarHBondContact CA-NE2 3.23Å; N746-H1348 PolarHBondContact N-CD2 3.33Å; N746-H1348 VanDerWaalsContact N-CD2 3.3Å; N746-H1348 PolarHBondContact N-NE2 2.85Å; N746-H1348 VanDerWaalsContact N-NE2 3.1Å; N746-H1348 PolarHBondContact OD1-CD2 3.37Å | ||
| 1349 | H | 24.8 | Very low | 24.8 | Very low | 150 Ų | 150 | 105.1 Ų | 105.1 | 69% | 0.694 | 61% | 0.606 | S | S | * | * | trans | -53.5 | 153.3 | -174.4 | -91.1 | -94.3 | 0 | 0 | 0 | 118.3 | ||||
| 1350 | C | 23.5 | Very low | 24.8 | Very low | 92 Ų | 92 | 101.6 Ų | 101.6 | 62% | 0.622 | 60% | 0.601 | S | S | * | * | trans | 15.7 | 118.2 | 133.5 | -51.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1351 | S | 22 | Very low | 24.9 | Very low | 92 Ų | 92 | 102.6 Ų | 102.6 | 64% | 0.643 | 60% | 0.601 | S | S | * | * | trans | 70.4 | 174.5 | 135.5 | 65.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1352 | V | 21.3 | Very low | 25.1 | Very low | 34 Ų | 34 | 102.2 Ų | 102.2 | 21% | 0.206 | 60% | 0.596 | C | S | . | * | trans | 76.6 | 59.5 | 149.1 | -67.2 | 0 | 0 | 0 | 0 | 122.4 | T742 | T742-V1352 WeakPolarHBondContact CA-O 3.5Å; T742-V1352 WeakPolarHBondContact O-CG2 3.35Å | ||
| 1353 | S | 21.1 | Very low | 25.2 | Very low | 80 Ų | 80 | 104.9 Ų | 104.9 | 56% | 0.559 | 61% | 0.605 | S | S | * | * | trans | -150.5 | 83.6 | 155.1 | -168.2 | 0 | 0 | 0 | 0 | 119.7 | E740 | E740-S1353 VanDerWaalsContact CB-N 3.33Å; E740-S1353 VanDerWaalsContact CD-C 3.43Å; E740-S1353 VanDerWaalsContact CG-N 3.27Å; E740-S1353 PolarHBondContact OE1-N 3.27Å | ||
| 1354 | L | 21.7 | Very low | 25.4 | Very low | 91 Ų | 91 | 105.9 Ų | 105.9 | 48% | 0.476 | 62% | 0.617 | S | S | . | * | trans | -61.9 | 154.7 | 160.2 | -172.9 | 152.9 | 0 | 0 | 0 | 110.8 | E740 T741 S1356 | E740-L1354 HydrophobicContact CB-CB 4.21Å; E740-L1354 VanDerWaalsContact CB-N 3.32Å; T741-L1354 WeakPolarHBondContact OG1-CB 3.41Å; T741-L1354 PolarHBondContact OG1-N 2.88Å; L1354-S1356 PolarHBondContact O-N 3.11Å | ||
| 1355 | D | 23.7 | Very low | 25.3 | Very low | 147 Ų | 147 | 108.4 Ų | 108.4 | 79% | 0.786 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -27.8 | 118.1 | -176.5 | -61 | -58.5 | 0 | 0 | 0 | 117.3 | ||
| 1356 | S | 23.1 | Very low | 25 | Very low | 112 Ų | 112 | 107.8 Ų | 107.8 | 78% | 0.783 | 65% | 0.649 | S | S | * | * | trans | 166.7 | 155 | 137.7 | 49.1 | 0 | 0 | 0 | 0 | 111 | L1354 | L1354-S1356 PolarHBondContact O-N 3.11Š| ||
| 1357 | A | 23.3 | Very low | 24.9 | Very low | 89 Ų | 89 | 108.4 Ų | 108.4 | 74% | 0.736 | 65% | 0.648 | S | S | * | * | cis | -125.4 | -163.3 | -13.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1358 | V | 25.2 | Very low | 24.8 | Very low | 122 Ų | 122 | 112.9 Ų | 112.9 | 74% | 0.739 | 67% | 0.669 | S | S | * | * | -163.7 | 136.5 | 61.2 | 157.3 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1359 | N | 25.4 | Very low | 24.5 | Very low | 136 Ų | 136 | 112.2 Ų | 112.2 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | trans | 37.7 | 114.6 | 156.8 | -61.7 | -15.4 | 0 | 0 | 0 | 121 | ||||
| 1360 | S | 24.1 | Very low | 24.4 | Very low | 106 Ų | 106 | 111.2 Ų | 111.2 | 74% | 0.741 | 68% | 0.68 | S | S | * | * | 77.5 | 152.4 | 129.3 | 86.2 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1361 | N | 27.2 | Very low | 24.4 | Very low | 124 Ų | 124 | 116 Ų | 116 | 66% | 0.663 | 69% | 0.69 | S | S | * | * | cis | -157 | 166.1 | 9.5 | -140.8 | -17.3 | 0 | 0 | 0 | 112.4 | ||||
| 1362 | H | 29 | Very low | 24.5 | Very low | 129 Ų | 129 | 117.6 Ų | 117.6 | 60% | 0.597 | 69% | 0.691 | S | S | * | * | trans | 58.6 | 112.5 | 154.2 | -67.4 | -57.7 | 0 | 0 | 0 | 123.1 | ||||
| 1363 | H | 26.8 | Very low | 24.5 | Very low | 171 Ų | 171 | 121.8 Ų | 121.8 | 79% | 0.792 | 71% | 0.712 | S | S | * | * | 80.2 | 159.7 | 127.4 | -64.1 | -45.4 | 0 | 0 | 0 | 123.1 | |||||
| 1364 | A | 27.8 | Very low | 24.7 | Very low | 90 Ų | 90 | 124 Ų | 124 | 74% | 0.744 | 72% | 0.717 | S | S | * | * | trans | 60.3 | 98.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1365 | S | 25.5 | Very low | 24.7 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | cis | 93.2 | 119.1 | 39.8 | 80.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1366 | S | 25.7 | Very low | 24.7 | Very low | 116 Ų | 116 | 123 Ų | 123 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | trans | 73.7 | 155.5 | 158.4 | 97.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1367 | V | 26.5 | Very low | 24.7 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | cis | -164.3 | 151.2 | -8.8 | 97.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1368 | M | 24.8 | Very low | 24.6 | Very low | 170 Ų | 170 | 125.9 Ų | 125.9 | 84% | 0.837 | 74% | 0.735 | S | S | * | * | trans | 61.9 | 166.1 | 165.3 | -70.5 | 175.5 | -174.2 | 0 | 0 | 117 | ||||
| 1369 | S | 22.4 | Very low | 24.5 | Very low | 90 Ų | 90 | 125.8 Ų | 125.8 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | cis | -165.4 | 161 | -30.9 | -97.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1370 | T | 23 | Very low | 24.4 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | 58.9 | 122 | 155.9 | 45.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1371 | K | 22.7 | Very low | 24.4 | Very low | 192 Ų | 192 | 127.9 Ų | 127.9 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | trans | 14.3 | 128.5 | 140.9 | -64.1 | -172.4 | 173.1 | -162.7 | 0 | 118 | ||||
| 1372 | I | 24.7 | Very low | 24.4 | Very low | 127 Ų | 127 | 129 Ų | 129 | 65% | 0.651 | 74% | 0.741 | S | S | * | * | -161.3 | 152.1 | 103 | -109 | 159.3 | 0 | 0 | 0 | 110.9 | Q1633 | I1372-Q1633 HydrophobicContact CD1-CG 4.36Å; I1372-Q1633 HydrophobicContact CG2-CG 3.94Å | |||
| 1373 | D | 21.5 | Very low | 24.1 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 65% | 0.647 | 75% | 0.749 | S | S | * | * | trans | -64.9 | 152.2 | 175.8 | -38.9 | -97.8 | 0 | 0 | 0 | 111.6 | Q1633 | D1373-Q1633 PolarHBondContact O-NE2 3.41Š| ||
| 1374 | N | 23.9 | Very low | 24.1 | Very low | 127 Ų | 127 | 125 Ų | 125 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | -164.5 | 140.9 | 126.7 | -98.3 | -29.9 | 0 | 0 | 0 | 112.8 | Q1633 | N1374-Q1633 PolarHBondContact ND2-OE1 3.38Å; N1374-Q1633 PolarHBondContact OD1-OE1 3.42Å | |||
| 1375 | S | 21.6 | Very low | 24.1 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | trans | -82.3 | 139.6 | 170 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1376 | C | 23.8 | Very low | 24 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | 63.5 | 117.5 | 155.2 | -55.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1377 | N | 22.9 | Very low | 24 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 91% | 0.914 | 76% | 0.756 | S | S | * | * | -147.3 | 168 | 128.1 | -118.7 | -29 | 0 | 0 | 0 | 111 | |||||
| 1378 | A | 22.9 | Very low | 23.8 | Very low | 90 Ų | 90 | 138.2 Ų | 138.2 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | trans | -74.9 | -177.2 | -156.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1379 | C | 21.6 | Very low | 23.7 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | -40 | 168.4 | 167.8 | -50 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1380 | E | 23.4 | Very low | 23.8 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | cis | -165.5 | 166.3 | 39 | -144 | -163.4 | 177.2 | 0 | 0 | 114.5 | ||||
| 1381 | K | 24 | Very low | 23.8 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | trans | 55.4 | 117.3 | 155.7 | -77.9 | 164.4 | -174 | 138.8 | 0 | 121.3 | ||||
| 1382 | V | 27 | Very low | 23.9 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | -135.7 | 142.5 | 110.3 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 1383 | N | 24.1 | Very low | 23.8 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | -104.7 | 158.8 | -177.5 | -80.7 | 3.5 | 0 | 0 | 0 | 113.3 | ||||
| 1384 | G | 27.2 | Very low | 24 | Very low | 71 Ų | 71 | 144.4 Ų | 144.4 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | 165.7 | 137.8 | 152.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1385 | E | 26.5 | Very low | 23.9 | Very low | 164 Ų | 164 | 151 Ų | 151 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | cis | -171 | 124.7 | -23.9 | -125.9 | -165.1 | 154.8 | 0 | 0 | 108.6 | ||||
| 1386 | F | 23.2 | Very low | 24 | Very low | 180 Ų | 180 | 151.6 Ų | 151.6 | 79% | 0.789 | 80% | 0.796 | S | S | * | * | trans | 54.5 | 164.4 | 162.4 | -62.2 | -72.5 | 0 | 0 | 0 | 119.6 | ||||
| 1387 | R | 25.7 | Very low | 24.1 | Very low | 244 Ų | 244 | 151 Ų | 151 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | cis | -128.3 | 179.7 | 9.6 | -80.9 | -173 | 167.6 | -161.8 | -4.8 | 112.7 | ||||
| 1388 | S | 23.2 | Very low | 24.2 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -144.4 | 146.3 | -166.9 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1389 | S | 23.3 | Very low | 24.2 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | 170.6 | 155.7 | 143.3 | 73.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 1390 | T | 23.5 | Very low | 24.3 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | cis | -160.6 | 152 | -13.8 | 11.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1391 | D | 22.5 | Very low | 24.3 | Very low | 150 Ų | 150 | 145.9 Ų | 145.9 | 80% | 0.802 | 72% | 0.722 | S | S | * | * | trans | 44.6 | 117.9 | 148.4 | -44.1 | -28.1 | 0 | 0 | 0 | 121.8 | ||||
| 1392 | D | 25.2 | Very low | 24.4 | Very low | 166 Ų | 166 | 144 Ų | 144 | 89% | 0.888 | 72% | 0.718 | S | S | * | * | -157.9 | 157.8 | 117.7 | -149.2 | -11.6 | 0 | 0 | 0 | 111.5 | |||||
| 1393 | E | 22.9 | Very low | 24.3 | Very low | 182 Ų | 182 | 141.6 Ų | 141.6 | 85% | 0.85 | 70% | 0.697 | S | S | * | * | trans | -88.8 | 125.7 | -173.1 | -66.4 | -164.5 | 119.3 | 0 | 0 | 114.2 | ||||
| 1394 | R | 24.7 | Very low | 24.3 | Very low | 241 Ų | 241 | 136.8 Ų | 136.8 | 91% | 0.909 | 68% | 0.682 | S | S | * | * | trans | -160.3 | 91.2 | 159.4 | -113 | 160.3 | -162.4 | -157 | 3.4 | 114.2 | N1396 | R1394-N1396 PolarHBondContact O-N 3.44Š| ||
| 1395 | R | 23.5 | Very low | 24.2 | Very low | 266 Ų | 266 | 135.8 Ų | 135.8 | 100% | 1.004 | 67% | 0.672 | S | S | * | * | trans | -81.7 | 89.8 | 166.1 | -82.6 | -172.3 | 176.3 | 167.5 | 1.9 | 111.8 | ||||
| 1396 | N | 22.3 | Very low | 24.1 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 59% | 0.588 | 67% | 0.674 | S | S | * | * | trans | -142.8 | 158.4 | 159 | -163.1 | -6.2 | 0 | 0 | 0 | 106.8 | R1394 | R1394-N1396 PolarHBondContact O-N 3.44Š| ||
| 1397 | M | 25.7 | Very low | 24.3 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 53% | 0.527 | 68% | 0.676 | S | S | . | * | trans | 73.7 | 151.1 | -176.6 | -47.5 | -70.5 | -77.9 | 0 | 0 | 115 | K1997 E2055 | M1397-K1997 PolarHBondContact SD-NZ 3.2Å; M1397-E2055 HydrophobicContact CE-CB 3.42Å; M1397-E2055 VanDerWaalsContact CE-CB 3.42Å; M1397-E2055 HydrophobicContact CE-CG 3.64Å; M1397-E2055 HydrophobicContact SD-CB 3.85Å; M1397-E2055 HydrophobicContact SD-CG 4.24Å | ||
| 1398 | N | 25 | Very low | 24.5 | Very low | 75 Ų | 75 | 127.1 Ų | 127.1 | 40% | 0.401 | 67% | 0.67 | S | S | . | * | cis | -161.2 | 175.4 | -27.8 | -120.6 | 18.9 | 0 | 0 | 0 | 113.9 | K1997 E2055 | N1398-K1997 WeakPolarHBondContact OD1-CE 3.47Å; N1398-K1997 PolarHBondContact OD1-NZ 3.13Å; N1398-E2055 PolarHBondContact ND2-OE1 3.39Å | ||
| 1399 | T | 23.6 | Very low | 24.7 | Very low | 67 Ų | 67 | 128.1 Ų | 128.1 | 41% | 0.411 | 67% | 0.665 | S | S | . | * | trans | -21.4 | 135.2 | 159.6 | 54.9 | 0 | 0 | 0 | 0 | 120.9 | N2001 | T1399-N2001 HydrophobicContact CG2-CB 4.15Å; T1399-N2001 WeakPolarHBondContact CG2-ND2 3.48Å | ||
| 1400 | Y | 24.2 | Very low | 25 | Very low | 171 Ų | 171 | 131.4 Ų | 131.4 | 67% | 0.671 | 67% | 0.666 | S | S | * | * | trans | -141.6 | 130.9 | 130 | -70 | -77.6 | 0 | 0 | 0 | 106.7 | E457 | E457-Y1400 WeakPolarHBondContact OE2-CB 3.26Š| ||
| 1401 | R | 23.2 | Very low | 25.2 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 39% | 0.385 | 66% | 0.66 | S | S | . | * | 61.5 | 113.6 | 65 | -79.9 | -172.4 | 175.1 | -169.5 | -4.1 | 114 | L2004 | R1401-L2004 PolarHBondContact NH2-O 3.23Š| |||
| 1402 | L | 25.8 | Very low | 25.4 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 55% | 0.545 | 65% | 0.646 | S | S | . | * | -165.8 | -168.2 | 112.9 | -98 | 166.8 | 0 | 0 | 0 | 110.2 | E455 | E455-L1402 HydrophobicContact CB-CB 3.67Å; E455-L1402 VanDerWaalsContact CD-CB 3.41Å; E455-L1402 HydrophobicContact CG-CB 4.11Å; E455-L1402 WeakPolarHBondContact OE2-CB 3.29Å | |||
| 1403 | H | 25.2 | Very low | 25.6 | Very low | 96 Ų | 96 | 127 Ų | 127 | 44% | 0.444 | 63% | 0.633 | S | S | . | * | trans | -153.9 | 125.6 | -146.1 | -179.1 | 28.2 | 0 | 0 | 0 | 115 | E455 L2009 | E455-H1403 PolarHBondContact OE2-N 3.27Å; H1403-L2009 HydrophobicContact CB-CD2 3.82Å; H1403-L2009 WeakPolarHBondContact NE2-CA 3.46Å; H1403-L2009 WeakPolarHBondContact NE2-CB 3.22Å; H1403-L2009 PolarHBondContact NE2-O 2.85Å | ||
| 1404 | G | 23.8 | Very low | 26.1 | Very low | 46 Ų | 46 | 122.3 Ų | 122.3 | 47% | 0.474 | 62% | 0.62 | S | S | . | * | trans | 148.5 | 89.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | T453 | T453-G1404 VanDerWaalsContact CB-O 3.3Å; T453-G1404 WeakPolarHBondContact CB-O 3.37Å | ||
| 1405 | G | 25 | Very low | 26.4 | Very low | 49 Ų | 49 | 118.6 Ų | 118.6 | 51% | 0.505 | 61% | 0.606 | S | S | . | * | trans | -177.4 | 15.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | H1407 | G1405-H1407 PolarHBondContact O-N 3.31Š| ||
| 1406 | A | 24.5 | Very low | 26.7 | Very low | 99 Ų | 99 | 110.7 Ų | 110.7 | 82% | 0.818 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 94.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1407 | H | 26.8 | Very low | 27 | Very low | 180 Ų | 180 | 109 Ų | 109 | 83% | 0.833 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153 | -14.5 | 155.7 | -125 | -74.9 | 0 | 0 | 0 | 117.7 | G1405 | G1405-H1407 PolarHBondContact O-N 3.31Š|
| 1408 | T | 29.8 | Very low | 27.3 | Very low | 128 Ų | 128 | 106 Ų | 106 | 79% | 0.785 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -114.7 | -5.3 | -171.5 | 45.7 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1409 | L | 27.4 | Very low | 27.5 | Very low | 131 Ų | 131 | 110 Ų | 110 | 69% | 0.686 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -91.8 | -2.8 | 179.1 | -78.2 | 168.9 | 0 | 0 | 0 | 114.7 | S1412 | L1409-S1412 PolarHBondContact O-OG 3.1Š|
| 1410 | K | 31.4 | Very low | 27.8 | Very low | 181 Ų | 181 | 111.6 Ų | 111.6 | 79% | 0.787 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -75.1 | -30.8 | -169.1 | -159.1 | 171.9 | -175.9 | 176.9 | 0 | 114 | S1414 | K1410-S1414 PolarHBondContact O-OG 3.34Å; K1410-S1414 VanDerWaalsContact O-OG 3.09Å |
| 1411 | E | 26.9 | Very low | 28 | Very low | 119 Ų | 119 | 109 Ų | 109 | 56% | 0.556 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -83.1 | -39.4 | -179.1 | -76.6 | -172.7 | 79.3 | 0 | 0 | 114.2 | S1414 R1415 | E1411-S1414 PolarHBondContact O-N 3.21Å; E1411-R1415 WeakPolarHBondContact O-CG 3.42Å; E1411-R1415 PolarHBondContact O-N 2.74Å; E1411-R1415 VanDerWaalsContact O-N 3.11Å; E1411-R1415 IonicContact OE1-CZ 3.93Å; E1411-R1415 IonicContact OE1-NH1 3.34Å; E1411-R1415 PolarHBondContact OE1-NH1 3.25Å; E1411-R1415 IonicContact OE1-NH2 3.19Å; E1411-R1415 PolarHBondContact OE1-NH2 2.83Å |
| 1412 | S | 26.9 | Very low | 28.3 | Very low | 70 Ų | 70 | 111.1 Ų | 111.1 | 49% | 0.49 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.2 | -40.7 | -172.8 | 49 | 0 | 0 | 0 | 0 | 112.2 | L1409 R1415 L1416 | L1409-S1412 PolarHBondContact O-OG 3.1Å; S1412-R1415 PolarHBondContact O-N 3.35Å; S1412-L1416 PolarHBondContact O-N 2.9Å |
| 1413 | F | 28.9 | Very low | 28.2 | Very low | 143 Ų | 143 | 114 Ų | 114 | 63% | 0.627 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.6 | -38.8 | 177.4 | -132 | -88.1 | 0 | 0 | 0 | 112.4 | R1415 L1416 M1417 | F1413-R1415 PolarHBondContact O-N 3.38Å; F1413-L1416 PolarHBondContact O-N 2.92Å; F1413-M1417 HydrophobicContact CD1-CG 4.39Å; F1413-M1417 PolarHBondContact O-N 3.28Å; F1413-M1417 VanDerWaalsContact O-N 3.09Å |
| 1414 | S | 32.6 | Very low | 28.2 | Very low | 83 Ų | 83 | 113.2 Ų | 113.2 | 58% | 0.58 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.1 | -39.7 | 175.6 | -62.4 | 0 | 0 | 0 | 0 | 112.6 | K1410 E1411 L1416 G1418 | K1410-S1414 PolarHBondContact O-OG 3.34Å; K1410-S1414 VanDerWaalsContact O-OG 3.09Å; E1411-S1414 PolarHBondContact O-N 3.21Å; S1414-L1416 VanDerWaalsContact C-N 3.28Å; S1414-L1416 PolarHBondContact O-N 2.87Å; S1414-G1418 PolarHBondContact O-N 3.37Å; S1414-G1418 VanDerWaalsContact O-N 3.16Å |
| 1415 | R | 32 | Very low | 28.3 | Very low | 163 Ų | 163 | 121.8 Ų | 121.8 | 62% | 0.615 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.7 | -19.6 | 175.4 | -71.6 | -178.8 | -179.9 | 119.2 | 13.8 | 113.8 | E1411 S1412 F1413 | E1411-R1415 WeakPolarHBondContact O-CG 3.42Å; E1411-R1415 PolarHBondContact O-N 2.74Å; E1411-R1415 VanDerWaalsContact O-N 3.11Å; E1411-R1415 IonicContact OE1-CZ 3.93Å; E1411-R1415 IonicContact OE1-NH1 3.34Å; E1411-R1415 PolarHBondContact OE1-NH1 3.25Å; E1411-R1415 IonicContact OE1-NH2 3.19Å; E1411-R1415 PolarHBondContact OE1-NH2 2.83Å; S1412-R1415 PolarHBondContact O-N 3.35Å; F1413-R1415 PolarHBondContact O-N 3.38Å |
| 1416 | L | 29.2 | Very low | 28.3 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 53% | 0.529 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -82.6 | -49.2 | 175.5 | -165.4 | 73.3 | 0 | 0 | 0 | 111.5 | S1412 F1413 S1414 G1418 K1419 L1420 | S1412-L1416 PolarHBondContact O-N 2.9Å; F1413-L1416 PolarHBondContact O-N 2.92Å; S1414-L1416 VanDerWaalsContact C-N 3.28Å; S1414-L1416 PolarHBondContact O-N 2.87Å; L1416-G1418 PolarHBondContact O-N 2.66Å; L1416-K1419 PolarHBondContact O-N 3.43Å; L1416-K1419 VanDerWaalsContact O-N 3.07Å; L1416-L1420 PolarHBondContact O-N 3.41Å |
| 1417 | M | 29.9 | Very low | 28.5 | Very low | 74 Ų | 74 | 131.5 Ų | 131.5 | 37% | 0.365 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -60.5 | -44 | 177.4 | -70.1 | -59.2 | -61.2 | 0 | 0 | 111.8 | F1413 K1419 L1420 D1421 | F1413-M1417 HydrophobicContact CD1-CG 4.39Å; F1413-M1417 PolarHBondContact O-N 3.28Å; F1413-M1417 VanDerWaalsContact O-N 3.09Å; M1417-K1419 PolarHBondContact O-N 2.98Å; M1417-L1420 PolarHBondContact O-N 3.07Å; M1417-D1421 PolarHBondContact O-N 2.85Å; M1417-D1421 VanDerWaalsContact O-N 3.12Å |
| 1418 | G | 32.1 | Very low | 28.5 | Very low | 44 Ų | 44 | 134.8 Ų | 134.8 | 45% | 0.454 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -64.1 | -5.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1414 L1416 | S1414-G1418 PolarHBondContact O-N 3.37Å; S1414-G1418 VanDerWaalsContact O-N 3.16Å; L1416-G1418 PolarHBondContact O-N 2.66Å |
| 1419 | K | 29 | Very low | 28.2 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 69% | 0.687 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -102.7 | -15.1 | 169.6 | -76.1 | -176 | 174.1 | -178.3 | 0 | 113.8 | L1416 M1417 | L1416-K1419 PolarHBondContact O-N 3.43Å; L1416-K1419 VanDerWaalsContact O-N 3.07Å; M1417-K1419 PolarHBondContact O-N 2.98Å |
| 1420 | L | 28.2 | Very low | 28.3 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 53% | 0.529 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -89.9 | -33.1 | 175.2 | -77.7 | 164.2 | 0 | 0 | 0 | 112.4 | L1416 M1417 L1422 M1423 | L1416-L1420 PolarHBondContact O-N 3.41Å; M1417-L1420 PolarHBondContact O-N 3.07Å; L1420-L1422 PolarHBondContact O-N 3.15Å; L1420-L1422 VanDerWaalsContact O-N 3.1Å; L1420-M1423 PolarHBondContact O-N 2.75Å |
| 1421 | D | 29.2 | Very low | 28 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 62% | 0.62 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -57.6 | -25.1 | 174.5 | -88.2 | -32.6 | 0 | 0 | 0 | 113.5 | M1417 M1423 | M1417-D1421 PolarHBondContact O-N 2.85Å; M1417-D1421 VanDerWaalsContact O-N 3.12Å; D1421-M1423 PolarHBondContact O-N 3.23Å |
| 1422 | L | 29 | Very low | 28 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -74.8 | -6.6 | 175.8 | -79.6 | 165.1 | 0 | 0 | 0 | 114.3 | L1420 | L1420-L1422 PolarHBondContact O-N 3.15Å; L1420-L1422 VanDerWaalsContact O-N 3.1Å |
| 1423 | M | 25.4 | Very low | 27.9 | Very low | 165 Ų | 165 | 134.3 Ų | 134.3 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -113 | -3.1 | -179.3 | -63.3 | -170.9 | 175.5 | 0 | 0 | 114.2 | L1420 D1421 | L1420-M1423 PolarHBondContact O-N 2.75Å; D1421-M1423 PolarHBondContact O-N 3.23Å |
| 1424 | A | 24.6 | Very low | 27.6 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 65% | 0.653 | 70% | 0.703 | S | S | * | * | trans | -85.5 | -9.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1426 | A1424-R1426 PolarHBondContact O-N 3.25Å; A1424-R1426 VanDerWaalsContact O-N 3.16Å | ||
| 1425 | R | 26.2 | Very low | 27.5 | Very low | 227 Ų | 227 | 137.3 Ų | 137.3 | 86% | 0.857 | 72% | 0.719 | S | S | * | * | trans | -80.4 | 94.7 | -179.1 | -70.5 | -169.4 | 178.3 | -157.6 | -0.9 | 112.2 | P1427 | R1425-P1427 WeakPolarHBondContact O-CD 3.28Š| ||
| 1426 | R | 25.2 | Very low | 27.2 | Very low | 235 Ų | 235 | 134.9 Ų | 134.9 | 89% | 0.887 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 125.3 | 158 | -73 | -172.6 | 180 | -172.7 | 1.7 | 109.6 | A1424 R1428 | A1424-R1426 PolarHBondContact O-N 3.25Å; A1424-R1426 VanDerWaalsContact O-N 3.16Å; R1426-R1428 PolarHBondContact O-N 3.1Å |
| 1427 | P | 26.7 | Very low | 27 | Very low | 117 Ų | 117 | 135 Ų | 135 | 76% | 0.76 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 124.6 | 161.4 | -9.6 | 26 | 0 | 0 | 0 | 108.4 | R1425 I1429 | R1425-P1427 WeakPolarHBondContact O-CD 3.28Å; P1427-I1429 PolarHBondContact O-N 3.21Å |
| 1428 | R | 27 | Very low | 26.9 | Very low | 248 Ų | 248 | 140.1 Ų | 140.1 | 94% | 0.936 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 120.6 | 163.4 | -79.5 | -177.1 | 174.1 | 165.3 | -2.1 | 107.7 | R1426 | R1426-R1428 PolarHBondContact O-N 3.1Š|
| 1429 | I | 25.4 | Very low | 26.6 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 120.3 | 170.1 | -60.1 | 172.9 | 0 | 0 | 0 | 107.5 | P1427 | P1427-I1429 PolarHBondContact O-N 3.21Š|
| 1430 | S | 28.1 | Very low | 26.4 | Very low | 119 Ų | 119 | 147.8 Ų | 147.8 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | -118.7 | 107.1 | 158.4 | 53.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1431 | G | 25.2 | Very low | 26.5 | Very low | 62 Ų | 62 | 148.9 Ų | 148.9 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | trans | -85.5 | 155 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1432 | N | 27.2 | Very low | 26.1 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 94% | 0.936 | 76% | 0.762 | S | S | * | * | trans | -145.6 | 159.2 | 135.2 | -109.1 | -18.7 | 0 | 0 | 0 | 109.4 | ||||
| 1433 | S | 24.8 | Very low | 25.9 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | trans | -103.4 | 145.5 | -158.9 | 55.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1434 | S | 22.8 | Very low | 25.9 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | trans | 60.9 | 119.2 | 149 | -54.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1435 | I | 30.1 | Very low | 26 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 92% | 0.923 | 74% | 0.736 | S | S | * | * | -163.8 | 170.2 | 110 | -99 | 158.5 | 0 | 0 | 0 | 109.2 | |||||
| 1436 | D | 25.4 | Very low | 25.9 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 60% | 0.599 | 72% | 0.724 | S | S | * | * | trans | -96.2 | 155.4 | -155.9 | -125.6 | -28 | 0 | 0 | 0 | 114.8 | ||||
| 1437 | K | 24.6 | Very low | 26 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 45% | 0.452 | 72% | 0.724 | S | S | . | * | trans | 44.2 | 132.1 | 151.1 | -60.5 | 142.5 | -167.8 | 157.7 | 0 | 120.8 | I989 | I989-K1437 HydrophobicContact CD1-CD 3.9Š| ||
| 1438 | H | 28.6 | Very low | 26 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | -167.4 | -172 | 99.2 | -108.8 | -92.1 | 0 | 0 | 0 | 112.2 | |||||
| 1439 | R | 25.2 | Very low | 25.9 | Very low | 187 Ų | 187 | 133.9 Ų | 133.9 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | -99.7 | 162.8 | -158.9 | -83.2 | 173.9 | 160.7 | 161.2 | -9.6 | 116.2 | ||||
| 1440 | H | 25.1 | Very low | 25.9 | Very low | 177 Ų | 177 | 130.7 Ų | 130.7 | 82% | 0.819 | 71% | 0.71 | S | S | * | * | trans | -19.3 | 161.4 | 139.7 | -58 | -67.4 | 0 | 0 | 0 | 117.1 | ||||
| 1441 | P | 29.7 | Very low | 25.8 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 81% | 0.805 | 71% | 0.708 | S | S | * | * | cis | -145.1 | -137.8 | 41.2 | 41.5 | -17.6 | 0 | 0 | 0 | 117.6 | ||||
| 1442 | S | 22.3 | Very low | 25.7 | Very low | 70 Ų | 70 | 137 Ų | 137 | 49% | 0.49 | 72% | 0.719 | S | S | . | * | -156.9 | 166 | -112.3 | 63.2 | 0 | 0 | 0 | 0 | 118.9 | S1029 | S1029-S1442 VanDerWaalsContact CA-O 3.23Å; S1029-S1442 WeakPolarHBondContact CA-O 3.33Å; S1029-S1442 PolarHBondContact N-O 3.5Å | |||
| 1443 | T | 24.5 | Very low | 25.4 | Very low | 86 Ų | 86 | 139.4 Ų | 139.4 | 53% | 0.528 | 72% | 0.716 | S | S | . | * | trans | 60.4 | 123.7 | 139.6 | 49.8 | 0 | 0 | 0 | 0 | 124.6 | S1029 | S1029-T1443 WeakPolarHBondContact CA-O 3.5Å; S1029-T1443 WeakPolarHBondContact CB-O 3.47Å | ||
| 1444 | Q | 24.2 | Very low | 25.4 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 52% | 0.519 | 71% | 0.71 | S | S | . | * | trans | 86.5 | 108.8 | 148.6 | -68.3 | 176.6 | -33.9 | 0 | 0 | 122.2 | S1029 S1030 N1446 | S1029-Q1444 WeakPolarHBondContact CB-O 3.12Å; S1029-Q1444 PolarHBondContact OG-O 2.83Å; S1030-Q1444 PolarHBondContact OG-O 2.85Å; Q1444-N1446 PolarHBondContact NE2-ND2 3.15Å | ||
| 1445 | Y | 28.1 | Very low | 25.8 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 63% | 0.631 | 72% | 0.717 | S | S | * | * | -117.7 | 134.6 | 118.2 | -107.8 | -88.4 | 0 | 0 | 0 | 109.3 | Q1028 S1030 | Q1028-Y1445 VanDerWaalsContact OE1-CE2 3.26Å; Q1028-Y1445 PolarHBondContact OE1-OH 2.89Å; S1030-Y1445 PolarHBondContact OG-N 3.08Å | |||
| 1446 | N | 24.8 | Very low | 25.5 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | trans | -103.7 | 149.2 | 171 | -57.5 | -71.7 | 0 | 0 | 0 | 108 | Q1444 | Q1444-N1446 PolarHBondContact NE2-ND2 3.15Š| ||
| 1447 | E | 27 | Very low | 25.7 | Very low | 189 Ų | 189 | 141.7 Ų | 141.7 | 88% | 0.883 | 72% | 0.716 | S | S | * | * | trans | -146.8 | 150.3 | 135.6 | -128 | 171.6 | -156.6 | 0 | 0 | 111.9 | ||||
| 1448 | S | 26.3 | Very low | 25.6 | Very low | 96 Ų | 96 | 143.7 Ų | 143.7 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | trans | -24.4 | 142.1 | -177.1 | 60.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1449 | Q | 24.7 | Very low | 25.3 | Very low | 191 Ų | 191 | 141.4 Ų | 141.4 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | -152.1 | 167.3 | 58.3 | -83.3 | -174 | 4.5 | 0 | 0 | 115.3 | |||||
| 1450 | S | 25.6 | Very low | 25.2 | Very low | 96 Ų | 96 | 139.6 Ų | 139.6 | 67% | 0.671 | 73% | 0.726 | S | S | * | * | trans | -111.2 | 147.5 | 179.7 | 57.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1451 | N | 24.9 | Very low | 25.3 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 68.6 | 151.1 | 163.8 | -59 | -40.5 | 0 | 0 | 0 | 119.1 | Y1453 | N1451-Y1453 PolarHBondContact O-N 3.22Š|
| 1452 | L | 23.2 | Very low | 25.1 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | trans | -4.5 | 105.8 | 153.7 | -65.9 | 159 | 0 | 0 | 0 | 116.2 | ||||
| 1453 | Y | 22.1 | Very low | 25.4 | Very low | 227 Ų | 227 | 139.6 Ų | 139.6 | 89% | 0.89 | 73% | 0.726 | S | S | * | * | -169.1 | -170.8 | 114.9 | -118.9 | -89.1 | 0 | 0 | 0 | 112 | N1451 | N1451-Y1453 PolarHBondContact O-N 3.22Š| |||
| 1454 | S | 23.4 | Very low | 25.6 | Very low | 80 Ų | 80 | 140.6 Ų | 140.6 | 56% | 0.559 | 74% | 0.737 | S | S | * | * | trans | -56.3 | 158.1 | -175.4 | 49.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1455 | F | 32.5 | Very low | 25.9 | Very low | 208 Ų | 208 | 141.5 Ų | 141.5 | 91% | 0.912 | 75% | 0.749 | S | S | * | * | trans | -18.2 | 140 | 145.9 | -73.8 | -99.7 | 0 | 0 | 0 | 116.5 | ||||
| 1456 | L | 23.4 | Very low | 25.8 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | -142.5 | 157.6 | 158.8 | -88.4 | 100.6 | 0 | 0 | 0 | 109.4 | ||||
| 1457 | P | 30.4 | Very low | 26 | Very low | 110 Ų | 110 | 143.8 Ų | 143.8 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | cis | -139.9 | 164.5 | -32.7 | 37 | -21.5 | 0 | 0 | 0 | 114.1 | ||||
| 1458 | D | 21.2 | Very low | 26 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | S | Bend | -142.8 | 134.3 | 126.7 | -139.9 | -18.5 | 0 | 0 | 0 | 109.5 | |||
| 1459 | L | 22.7 | Very low | 25.9 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | trans | 45.9 | 115.8 | 177.2 | -66.1 | 120.3 | 0 | 0 | 0 | 121.6 | ||||
| 1460 | M | 24.2 | Very low | 25.9 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | 35 | 146.2 | 117.5 | -57.4 | 175 | 70.9 | 0 | 0 | 120.6 | |||||
| 1461 | E | 27.3 | Very low | 25.8 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | cis | -176.7 | 171.2 | -8.2 | -103.5 | -151.4 | 79.4 | 0 | 0 | 106.6 | ||||
| 1462 | S | 25.1 | Very low | 25.9 | Very low | 79 Ų | 79 | 138.8 Ų | 138.8 | 55% | 0.552 | 77% | 0.766 | S | S | * | * | cis | -169 | -145.9 | -30.6 | 67.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1463 | V | 28.7 | Very low | 26.3 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | 63.4 | 124.2 | 171.6 | -173.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1464 | S | 28.3 | Very low | 26.5 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | cis | -164.9 | -169.7 | -7.3 | -157.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1465 | V | 31.3 | Very low | 26.7 | Very low | 129 Ų | 129 | 137 Ų | 137 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | cis | -150.5 | -145.3 | 9.1 | 69 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1466 | K | 25.5 | Very low | 26.6 | Very low | 195 Ų | 195 | 134.1 Ų | 134.1 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | trans | -149.2 | 147.2 | -177.7 | -64.2 | -179.3 | 179.9 | 177.5 | 0 | 114.5 | ||||
| 1467 | S | 28.4 | Very low | 26.7 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | trans | 172.5 | 150.8 | 137.2 | 55.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1468 | G | 26.9 | Very low | 26.6 | Very low | 68 Ų | 68 | 135.8 Ų | 135.8 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | cis | -162.6 | -174.8 | 0.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1469 | T | 24.3 | Very low | 26.8 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | -151.7 | 159.6 | -157.2 | 48.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1470 | Y | 24.1 | Very low | 26.8 | Very low | 217 Ų | 217 | 134 Ų | 134 | 85% | 0.851 | 74% | 0.741 | S | S | * | * | trans | 75.5 | 134.6 | 150.3 | -82.1 | -67.2 | 0 | 0 | 0 | 123.9 | ||||
| 1471 | S | 23.9 | Very low | 26.8 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | 52.5 | 110.5 | 142.4 | 63.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1472 | S | 28.2 | Very low | 26.7 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | 22.5 | 133.4 | 129.1 | 60.1 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1473 | H | 30.4 | Very low | 26.5 | Very low | 177 Ų | 177 | 129.4 Ų | 129.4 | 82% | 0.819 | 75% | 0.746 | S | S | * | * | trans | -156.5 | 171.4 | 131.8 | -116.6 | -79.2 | 0 | 0 | 0 | 112.3 | ||||
| 1474 | D | 25.7 | Very low | 26.1 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | trans | -46.6 | 138.6 | -166.3 | -51 | -66.4 | 0 | 0 | 0 | 119.4 | ||||
| 1475 | N | 28.5 | Very low | 25.8 | Very low | 135 Ų | 135 | 128.3 Ų | 128.3 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | -165.5 | 130.5 | 95.9 | -102.9 | -64.8 | 0 | 0 | 0 | 115.5 | |||||
| 1476 | Q | 29.4 | Very low | 25.5 | Very low | 148 Ų | 148 | 131 Ų | 131 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | 27.6 | 116 | 127.8 | -64 | -172.3 | 7.3 | 0 | 0 | 119 | |||||
| 1477 | Q | 26.3 | Very low | 25.9 | Very low | 152 Ų | 152 | 129 Ų | 129 | 71% | 0.71 | 74% | 0.739 | S | S | * | * | 80.3 | 144 | 96 | -72.1 | -176.9 | 7.2 | 0 | 0 | 114.3 | |||||
| 1478 | H | 27.5 | Very low | 26.1 | Very low | 145 Ų | 145 | 128.3 Ų | 128.3 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | cis | -159.9 | 177.9 | -1.6 | -129.5 | -37.6 | 0 | 0 | 0 | 112.2 | ||||
| 1479 | L | 26.3 | Very low | 25.9 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | 70.4 | 106.3 | 150.1 | -72.4 | 162.5 | 0 | 0 | 0 | 120.1 | ||||
| 1480 | S | 22.6 | Very low | 25.8 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | 40.3 | 143.1 | 114.9 | 66.9 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1481 | A | 23.5 | Very low | 25.7 | Very low | 83 Ų | 83 | 124.4 Ų | 124.4 | 69% | 0.686 | 71% | 0.711 | S | S | * | * | cis | -176.8 | -166.8 | -6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1482 | S | 24.7 | Very low | 25.9 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | trans | 74.9 | 156 | 151.2 | 76.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1483 | S | 22.1 | Very low | 25.6 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | trans | 59.4 | 110.4 | 147.6 | -57 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1484 | T | 20.7 | Very low | 25.3 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | 6.3 | 136.2 | 122.5 | 53.2 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1485 | S | 21.8 | Very low | 25.1 | Very low | 96 Ų | 96 | 129 Ų | 129 | 67% | 0.671 | 71% | 0.713 | S | S | * | * | trans | 66.7 | 134.7 | 174.6 | 71.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1486 | F | 24.9 | Very low | 24.8 | Very low | 184 Ų | 184 | 129.5 Ų | 129.5 | 81% | 0.807 | 71% | 0.714 | S | S | * | * | cis | -128.8 | 141.8 | 36 | -89.2 | -100.7 | 0 | 0 | 0 | 115.9 | P1488 | F1486-P1488 WeakPolarHBondContact O-CD 3.18Š| ||
| 1487 | L | 34.5 | Very low | 24.5 | Very low | 153 Ų | 153 | 126.6 Ų | 126.6 | 80% | 0.801 | 72% | 0.716 | S | S | * | * | trans | -69.5 | 129.4 | 145.1 | -78.3 | 147.6 | 0 | 0 | 0 | 109.2 | ||||
| 1488 | P | 30.7 | Very low | 24.4 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | trans | -84.6 | 109.4 | 142.2 | 30.4 | -27.4 | 0 | 0 | 0 | 108.9 | F1486 | F1486-P1488 WeakPolarHBondContact O-CD 3.18Š| ||
| 1489 | N | 22.9 | Very low | 24.3 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | -8.1 | 123.2 | 157.7 | -71.5 | -57.5 | 0 | 0 | 0 | 116.8 | ||||
| 1490 | S | 22.3 | Very low | 24.2 | Very low | 77 Ų | 77 | 124.5 Ų | 124.5 | 54% | 0.538 | 72% | 0.716 | S | S | . | * | 72.3 | 154.6 | 60.6 | 87.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1491 | N | 22.3 | Very low | 24.3 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | trans | 57.8 | 103.2 | 168.5 | -55.4 | -41.8 | 0 | 0 | 0 | 115.6 | ||||
| 1492 | Q | 28.3 | Very low | 24.3 | Very low | 190 Ų | 190 | 128.9 Ų | 128.9 | 89% | 0.888 | 72% | 0.722 | S | S | * | * | -132.6 | 117.1 | 71.3 | -96.1 | 136.3 | 96.6 | 0 | 0 | 116.4 | |||||
| 1493 | S | 21.8 | Very low | 24.2 | Very low | 80 Ų | 80 | 128 Ų | 128 | 56% | 0.559 | 72% | 0.716 | S | S | * | * | trans | -41.5 | 170.9 | 140.7 | 51.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1494 | K | 24 | Very low | 24.4 | Very low | 171 Ų | 171 | 128.2 Ų | 128.2 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | trans | 104.1 | 116.7 | 163.5 | -63 | 179.2 | 178.2 | 176.8 | 0 | 116.8 | ||||
| 1495 | Q | 22.5 | Very low | 24.6 | Very low | 155 Ų | 155 | 130 Ų | 130 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | 76.4 | 149.2 | 122.7 | -70.6 | 176.9 | -41.4 | 0 | 0 | 120.8 | |||||
| 1496 | L | 22.3 | Very low | 24.7 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | trans | 50.4 | 94.9 | 144 | -62.8 | 164.2 | 0 | 0 | 0 | 116.6 | ||||
| 1497 | A | 21.8 | Very low | 24.7 | Very low | 87 Ų | 87 | 128.6 Ų | 128.6 | 72% | 0.719 | 71% | 0.711 | S | S | * | * | 79.3 | 177.1 | 71.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1498 | V | 25.6 | Very low | 24.2 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 70% | 0.703 | 71% | 0.711 | S | S | * | * | trans | 74.5 | 98.1 | 167.4 | -175.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1499 | K | 25.1 | Very low | 24.1 | Very low | 193 Ų | 193 | 128.7 Ų | 128.7 | 84% | 0.839 | 71% | 0.706 | S | S | * | * | trans | 62 | 161 | 134.3 | -65.5 | -176.7 | -172.5 | 179.3 | 0 | 118.5 | ||||
| 1500 | S | 24.1 | Very low | 24.3 | Very low | 84 Ų | 84 | 127 Ų | 127 | 59% | 0.587 | 70% | 0.704 | S | S | * | * | cis | -170.1 | 173.5 | -19.4 | 48.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1501 | Q | 23.7 | Very low | 24.6 | Very low | 177 Ų | 177 | 128.9 Ų | 128.9 | 83% | 0.827 | 71% | 0.706 | S | S | * | * | trans | 35.1 | 135 | 138.6 | -71.6 | 164.9 | -38.1 | 0 | 0 | 120.1 | ||||
| 1502 | S | 24.4 | Very low | 25 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | cis | -174.2 | 177.9 | 8.5 | 47.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1503 | S | 23.3 | Very low | 25.1 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 64% | 0.643 | 70% | 0.702 | S | S | * | * | trans | 52 | 109.4 | 139.7 | 63.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1504 | S | 25.1 | Very low | 25.5 | Very low | 98 Ų | 98 | 134 Ų | 134 | 69% | 0.685 | 71% | 0.706 | S | S | * | * | 85.3 | 147.6 | 100 | 75.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 1505 | Q | 24.7 | Very low | 25.8 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 77% | 0.771 | 71% | 0.707 | S | S | * | * | cis | -168.3 | 163.9 | 2.4 | -130.3 | 176 | -81.5 | 0 | 0 | 109.6 | ||||
| 1506 | C | 23.6 | Very low | 26.1 | Very low | 82 Ų | 82 | 130 Ų | 130 | 55% | 0.554 | 70% | 0.695 | S | S | * | * | trans | 68.1 | 161 | 147.7 | -64.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1507 | E | 25 | Very low | 26.5 | Very low | 168 Ų | 168 | 129.2 Ų | 129.2 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | cis | -169.1 | 156.4 | -11.3 | -105 | 155.2 | -167.6 | 0 | 0 | 106.3 | ||||
| 1508 | D | 25.5 | Very low | 27.2 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | cis | -164.6 | 179.1 | -17.7 | -161.4 | 8.6 | 0 | 0 | 0 | 109.7 | ||||
| 1509 | D | 27.4 | Very low | 27.8 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 63% | 0.631 | 69% | 0.688 | S | S | * | * | trans | 65.3 | 179.4 | 175.3 | -144.2 | 28.3 | 0 | 0 | 0 | 113.1 | M1511 | D1509-M1511 WeakPolarHBondContact OD2-CE 3.45Š| ||
| 1510 | S | 27.9 | Very low | 28.2 | Very low | 100 Ų | 100 | 129.2 Ų | 129.2 | 70% | 0.699 | 68% | 0.684 | S | S | * | * | cis | -153.7 | 153.5 | 5.9 | 84.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1511 | M | 29 | Very low | 28.7 | Very low | 117 Ų | 117 | 133 Ų | 133 | 58% | 0.576 | 69% | 0.694 | S | S | * | * | cis | -163.2 | 156.6 | -9.1 | -141.4 | -164.8 | -76.7 | 0 | 0 | 110.1 | D1509 | D1509-M1511 WeakPolarHBondContact OD2-CE 3.45Š| ||
| 1512 | R | 30.2 | Very low | 29.3 | Very low | 203 Ų | 203 | 129.5 Ų | 129.5 | 77% | 0.766 | 68% | 0.678 | S | S | * | * | trans | 69.5 | 116.3 | 158 | -63.2 | -176.1 | -175.2 | -151.6 | -2.3 | 117.7 | ||||
| 1513 | K | 29.7 | Very low | 29.7 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 67% | 0.674 | 68% | 0.677 | S | S | * | * | 73.8 | 133.3 | 95.8 | -73.1 | 171.5 | 153.5 | -80.1 | 0 | 114 | |||||
| 1514 | E | 30.8 | Very low | 30 | Very low | 138 Ų | 138 | 139.4 Ų | 139.4 | 65% | 0.645 | 69% | 0.688 | S | S | * | * | cis | -141.3 | 143 | 0.8 | -93.6 | 134.9 | -159.1 | 0 | 0 | 107.1 | ||||
| 1515 | E | 29.6 | Very low | 30.2 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 76% | 0.762 | 69% | 0.691 | S | S | * | * | 64.7 | 123.7 | 62.6 | -76.1 | -175.4 | -144 | 0 | 0 | 114.2 | |||||
| 1516 | T | 29.1 | Very low | 30.4 | Very low | 78 Ų | 78 | 146.3 Ų | 146.3 | 48% | 0.479 | 69% | 0.692 | S | S | . | * | cis | -159.3 | 154.9 | -9.6 | 49.4 | 0 | 0 | 0 | 0 | 110.3 | E1519 | T1516-E1519 HydrophobicContact CG2-CB 3.67Å; T1516-E1519 HydrophobicContact CG2-CG 4.42Å | ||
| 1517 | V | 30.5 | Very low | 30.7 | Very low | 130 Ų | 130 | 151.4 Ų | 151.4 | 79% | 0.788 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -137 | -46.9 | 150.2 | 179 | 0 | 0 | 0 | 0 | 111.8 | E1519 M1520 | V1517-E1519 PolarHBondContact O-N 3.22Å; V1517-M1520 PolarHBondContact O-N 2.93Å; V1517-M1520 VanDerWaalsContact O-N 3.12Å |
| 1518 | D | 36.8 | Very low | 30.8 | Very low | 151 Ų | 151 | 150 Ų | 150 | 81% | 0.807 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -20.1 | 178.1 | -72.4 | -57 | 0 | 0 | 0 | 114 | M1520 | D1518-M1520 PolarHBondContact O-N 3.02Š|
| 1519 | E | 38.3 | Very low | 30.8 | Very low | 92 Ų | 92 | 151.7 Ų | 151.7 | 43% | 0.43 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.4 | -2.2 | 179.9 | -138.3 | -160.2 | -122.1 | 0 | 0 | 114.6 | T1516 V1517 R1523 | T1516-E1519 HydrophobicContact CG2-CB 3.67Å; T1516-E1519 HydrophobicContact CG2-CG 4.42Å; V1517-E1519 PolarHBondContact O-N 3.22Å; E1519-R1523 VanDerWaalsContact O-CD 3.24Å; E1519-R1523 WeakPolarHBondContact O-CD 3.32Å; E1519-R1523 VanDerWaalsContact O-CG 3.26Å; E1519-R1523 WeakPolarHBondContact O-CG 3.31Å; E1519-R1523 PolarHBondContact O-NE 2.75Å; E1519-R1523 IonicContact OE2-CZ 3.47Å; E1519-R1523 IonicContact OE2-NE 3.5Å; E1519-R1523 PolarHBondContact OE2-NE 2.67Å; E1519-R1523 IonicContact OE2-NH2 2.65Å; E1519-R1523 PolarHBondContact OE2-NH2 3.05Å |
| 1520 | M | 33.4 | Very low | 30.9 | Very low | 152 Ų | 152 | 152.4 Ų | 152.4 | 75% | 0.749 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -34 | 175.5 | -162.1 | 171.6 | -67 | 0 | 0 | 113.2 | V1517 D1518 | V1517-M1520 PolarHBondContact O-N 2.93Å; V1517-M1520 VanDerWaalsContact O-N 3.12Å; D1518-M1520 PolarHBondContact O-N 3.02Å |
| 1521 | M | 35.9 | Very low | 30.8 | Very low | 163 Ų | 163 | 153.7 Ų | 153.7 | 80% | 0.803 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -38 | -177.6 | -86.9 | -68.4 | -160.8 | 0 | 0 | 113.5 | R1523 Y1524 | M1521-R1523 VanDerWaalsContact C-N 3.27Å; M1521-R1523 PolarHBondContact O-N 3.24Å; M1521-Y1524 PolarHBondContact O-N 3.07Å |
| 1522 | E | 36.1 | Very low | 30.6 | Very low | 105 Ų | 105 | 153.1 Ų | 153.1 | 49% | 0.491 | 73% | 0.73 | S | S | . | * | G | 310 helix | trans | -73 | -19.8 | -178.4 | -174.2 | 54.3 | -162 | 0 | 0 | 112.9 | Y1524 R1525 | E1522-Y1524 PolarHBondContact O-N 2.98Å; E1522-R1525 PolarHBondContact O-N 2.88Å; E1522-R1525 VanDerWaalsContact O-N 3.12Å |
| 1523 | R | 31.3 | Very low | 30.7 | Very low | 177 Ų | 177 | 149 Ų | 149 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -60.3 | -26.3 | 171.9 | -70.7 | 175.7 | -171.5 | -153.6 | 6.4 | 112.7 | E1519 M1521 R1525 | E1519-R1523 VanDerWaalsContact O-CD 3.24Å; E1519-R1523 WeakPolarHBondContact O-CD 3.32Å; E1519-R1523 VanDerWaalsContact O-CG 3.26Å; E1519-R1523 WeakPolarHBondContact O-CG 3.31Å; E1519-R1523 PolarHBondContact O-NE 2.75Å; E1519-R1523 IonicContact OE2-CZ 3.47Å; E1519-R1523 IonicContact OE2-NE 3.5Å; E1519-R1523 PolarHBondContact OE2-NE 2.67Å; E1519-R1523 IonicContact OE2-NH2 2.65Å; E1519-R1523 PolarHBondContact OE2-NH2 3.05Å; M1521-R1523 VanDerWaalsContact C-N 3.27Å; M1521-R1523 PolarHBondContact O-N 3.24Å; R1523-R1525 VanDerWaalsContact C-N 3.26Å; R1523-R1525 PolarHBondContact O-N 3.28Å |
| 1524 | Y | 30.7 | Very low | 30.5 | Very low | 219 Ų | 219 | 146.8 Ų | 146.8 | 86% | 0.859 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -78.7 | -0.8 | 178.4 | -118.8 | -79.5 | 0 | 0 | 0 | 114.7 | M1521 E1522 | M1521-Y1524 PolarHBondContact O-N 3.07Å; E1522-Y1524 PolarHBondContact O-N 2.98Å |
| 1525 | R | 29.4 | Very low | 30.3 | Very low | 203 Ų | 203 | 147.9 Ų | 147.9 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -105.4 | -18.3 | -178.6 | -101.3 | -172 | 172.3 | 97.6 | 4.4 | 116.9 | E1522 R1523 | E1522-R1525 PolarHBondContact O-N 2.88Å; E1522-R1525 VanDerWaalsContact O-N 3.12Å; R1523-R1525 VanDerWaalsContact C-N 3.26Å; R1523-R1525 PolarHBondContact O-N 3.28Å |
| 1526 | R | 28.8 | Very low | 30 | Very low | 205 Ų | 205 | 144.2 Ų | 144.2 | 77% | 0.774 | 72% | 0.72 | S | S | * | * | trans | -142 | 62.3 | -170.2 | -67.5 | -167 | 176.1 | -174.2 | 0.8 | 118.1 | ||||
| 1527 | Q | 29.1 | Very low | 29.8 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 89% | 0.888 | 73% | 0.731 | S | S | * | * | trans | -130.1 | 130.6 | 133.7 | -60.6 | -168.4 | 23.5 | 0 | 0 | 106.7 | ||||
| 1528 | T | 27.4 | Very low | 29.6 | Very low | 139 Ų | 139 | 150.3 Ų | 150.3 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | S | Bend | cis | -103.3 | 141.1 | 25.4 | 51.2 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1529 | K | 26.1 | Very low | 28.9 | Very low | 187 Ų | 187 | 149 Ų | 149 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | trans | -73.5 | 163.8 | 152.5 | -57.4 | 170.6 | 178.6 | 173.2 | 0 | 108.7 | ||||
| 1530 | V | 28 | Very low | 28.4 | Very low | 133 Ų | 133 | 151 Ų | 151 | 81% | 0.806 | 74% | 0.737 | S | S | * | * | cis | -128.5 | -150.1 | 3.7 | -136.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1531 | V | 26.6 | Very low | 27.9 | Very low | 128 Ų | 128 | 150.2 Ų | 150.2 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | cis | -140.1 | 145.9 | 13 | -171.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1532 | S | 24.9 | Very low | 27.4 | Very low | 105 Ų | 105 | 147 Ų | 147 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | trans | -158 | 167.1 | 163.1 | -66.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1533 | P | 31.8 | Very low | 26.9 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | cis | -129.5 | -149.1 | 22.6 | 35.6 | -10.1 | 0 | 0 | 0 | 110.8 | ||||
| 1534 | D | 26.2 | Very low | 26.6 | Very low | 110 Ų | 110 | 145 Ų | 145 | 59% | 0.588 | 74% | 0.741 | S | S | * | * | cis | -157.4 | -178.6 | 6.1 | -149.7 | 6.4 | 0 | 0 | 0 | 114.6 | ||||
| 1535 | K | 27.2 | Very low | 26.7 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 70% | 0.696 | 73% | 0.733 | S | S | * | * | trans | -22 | 167.2 | 145.6 | -66.7 | 172.6 | -141.3 | 82.1 | 0 | 117.5 | ||||
| 1536 | S | 22.8 | Very low | 26.6 | Very low | 86 Ų | 86 | 140.5 Ų | 140.5 | 60% | 0.601 | 73% | 0.731 | S | S | * | * | cis | 177.1 | 145 | -25.7 | 64.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1537 | I | 24 | Very low | 26.6 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | trans | 51.7 | 111.4 | 152.5 | -46 | 150.8 | 0 | 0 | 0 | 118.7 | ||||
| 1538 | F | 26 | Very low | 26.7 | Very low | 197 Ų | 197 | 134.1 Ų | 134.1 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | 177.6 | 140.4 | 113.3 | -107.8 | -70.4 | 0 | 0 | 0 | 114.6 | |||||
| 1539 | N | 23.5 | Very low | 26.7 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 65% | 0.652 | 72% | 0.716 | S | S | * | * | trans | -84 | 170.4 | 156.9 | -91 | -13.5 | 0 | 0 | 0 | 109.4 | ||||
| 1540 | H | 26.7 | Very low | 26.7 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 63% | 0.63 | 71% | 0.706 | S | S | * | * | cis | -161.6 | 145.7 | 9.1 | -118.8 | -43.6 | 0 | 0 | 0 | 109 | ||||
| 1541 | N | 24.1 | Very low | 26.8 | Very low | 134 Ų | 134 | 133 Ų | 133 | 72% | 0.717 | 70% | 0.702 | S | S | * | * | trans | 59 | 167.7 | 145.4 | -51.9 | -6.3 | 0 | 0 | 0 | 117.9 | ||||
| 1542 | S | 24.3 | Very low | 27 | Very low | 95 Ų | 95 | 135 Ų | 135 | 66% | 0.664 | 70% | 0.703 | S | S | * | * | cis | -155.8 | 171.4 | 19.4 | -41.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1543 | N | 25.8 | Very low | 27.2 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 83% | 0.829 | 71% | 0.707 | S | S | * | * | trans | 76.7 | 146.5 | 150.3 | -69 | -7.4 | 0 | 0 | 0 | 120 | ||||
| 1544 | S | 25.2 | Very low | 27.2 | Very low | 85 Ų | 85 | 137 Ų | 137 | 59% | 0.594 | 70% | 0.703 | S | S | * | * | cis | -171.5 | 179.6 | -16.4 | 51.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1545 | Q | 32.2 | Very low | 27.2 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 67% | 0.673 | 71% | 0.709 | S | S | * | * | trans | 89.9 | 138 | 156.4 | -68.1 | 170.5 | 2.2 | 0 | 0 | 118.3 | ||||
| 1546 | Y | 28.9 | Very low | 27.2 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 73% | 0.725 | 71% | 0.713 | S | S | * | * | cis | -148.4 | 122 | -3 | -111.7 | -55.7 | 0 | 0 | 0 | 111.4 | ||||
| 1547 | S | 27.5 | Very low | 27.5 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | trans | -163.4 | 117.2 | 146.2 | 61.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1548 | H | 31 | Very low | 27.9 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | trans | -11.7 | 141.2 | 151.1 | -78.9 | -82.3 | 0 | 0 | 0 | 118.3 | ||||
| 1549 | H | 27.9 | Very low | 28.2 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 72% | 0.718 | 71% | 0.714 | S | S | * | * | 52.4 | 131.3 | 83.4 | -74.4 | -99.3 | 0 | 0 | 0 | 112.5 | |||||
| 1550 | D | 26.3 | Very low | 28.4 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 60% | 0.604 | 72% | 0.72 | S | S | * | * | cis | -164.8 | 170.3 | 11.2 | -138.5 | -37.9 | 0 | 0 | 0 | 113.1 | ||||
| 1551 | K | 29.9 | Very low | 28.6 | Very low | 167 Ų | 167 | 134.5 Ų | 134.5 | 73% | 0.726 | 73% | 0.726 | S | S | * | * | trans | 73.1 | 144.6 | 154 | -69.5 | 157.1 | -170.9 | 170.6 | 0 | 122.4 | ||||
| 1552 | Q | 30.9 | Very low | 28.7 | Very low | 171 Ų | 171 | 135.5 Ų | 135.5 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | trans | 71.2 | 93.7 | 157.9 | -69.5 | 166.5 | 5.9 | 0 | 0 | 118.1 | ||||
| 1553 | I | 29.1 | Very low | 28.8 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | 62.5 | 130.6 | 67.4 | -55.7 | 168.9 | 0 | 0 | 0 | 112.3 | |||||
| 1554 | P | 31 | Very low | 28.9 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 66% | 0.662 | 73% | 0.726 | S | S | * | * | cis | -128.5 | 177 | -0.7 | 35.9 | -17.8 | 0 | 0 | 0 | 116.4 | ||||
| 1555 | S | 27.1 | Very low | 28.9 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | trans | 62.4 | 142.2 | 150.9 | 52.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1556 | T | 27.8 | Very low | 28.6 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | cis | -161.1 | 157.7 | -9.5 | 13.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1557 | S | 28.1 | Very low | 28.5 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | 60 | 103 | 154.4 | 57.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1558 | N | 32.4 | Very low | 28.2 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | 66.9 | 99.7 | 116.3 | -66.7 | 13.4 | 0 | 0 | 0 | 125.1 | |||||
| 1559 | S | 31.6 | Very low | 27.9 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | 60.1 | 90.4 | 113.3 | 69.4 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 1560 | N | 29.2 | Very low | 27.8 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | 27.2 | 125.8 | 118 | -78.9 | -46.3 | 0 | 0 | 0 | 124.3 | |||||
| 1561 | K | 29.8 | Very low | 28 | Very low | 174 Ų | 174 | 132 Ų | 132 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | 84.6 | 121.4 | 122.8 | -76 | -174.9 | 174.7 | -174.4 | 0 | 124.8 | |||||
| 1562 | M | 27 | Very low | 27.8 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | 108.2 | 121.5 | 119.4 | -86.3 | 177.1 | 69.1 | 0 | 0 | 123 | |||||
| 1563 | V | 26.6 | Very low | 27.6 | Very low | 109 Ų | 109 | 126 Ų | 126 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | trans | 87.5 | 139.7 | 142.6 | 172.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1564 | N | 27.6 | Very low | 27.7 | Very low | 146 Ų | 146 | 124 Ų | 124 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | trans | 82.3 | 162.9 | 165.8 | -81.1 | -7.1 | 0 | 0 | 0 | 120.9 | ||||
| 1565 | N | 23.9 | Very low | 27.6 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | -50.8 | 165 | -167.1 | -55.4 | -26.8 | 0 | 0 | 0 | 117.6 | ||||
| 1566 | N | 26 | Very low | 27.6 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | 102.4 | 147.9 | 163.6 | -56.1 | -24.3 | 0 | 0 | 0 | 116.5 | ||||
| 1567 | T | 27.2 | Very low | 27.6 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | 53.3 | 126 | 167.5 | 55.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1568 | A | 22.1 | Very low | 27.6 | Very low | 88 Ų | 88 | 125.7 Ų | 125.7 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | cis | 55.2 | 98.6 | 0.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1569 | V | 24.8 | Very low | 27.6 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 79% | 0.788 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 71.4 | 96.5 | 154.2 | -173 | 0 | 0 | 0 | 0 | 117.1 | ||
| 1570 | S | 25.5 | Very low | 27.4 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | 90.2 | 133.5 | 131.4 | -71.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1571 | V | 30.2 | Very low | 27.4 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | trans | 68.5 | 51.7 | 147.5 | -173.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1572 | G | 25.7 | Very low | 27.3 | Very low | 87 Ų | 87 | 125.7 Ų | 125.7 | 90% | 0.897 | 74% | 0.742 | S | S | * | * | -93.8 | 91.1 | 128.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1573 | N | 26.3 | Very low | 27.2 | Very low | 125 Ų | 125 | 123.4 Ų | 123.4 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | trans | -105.9 | 166.6 | 178.1 | -166.7 | 18.1 | 0 | 0 | 0 | 109.8 | ||||
| 1574 | V | 31.7 | Very low | 27.3 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 70% | 0.703 | 75% | 0.746 | S | S | * | * | trans | 74.7 | 138 | 173 | -173.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1575 | N | 28.2 | Very low | 27.5 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 68% | 0.679 | 74% | 0.74 | S | S | * | * | cis | -165.9 | 141.8 | -35.6 | -100.6 | -18.5 | 0 | 0 | 0 | 108.8 | ||||
| 1576 | S | 28.5 | Very low | 27.5 | Very low | 128 Ų | 128 | 121.2 Ų | 121.2 | 90% | 0.895 | 74% | 0.736 | S | S | * | * | trans | -150.9 | 80.4 | 141.5 | 48.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1577 | S | 26.3 | Very low | 27.5 | Very low | 97 Ų | 97 | 122 Ų | 122 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | trans | -71.5 | 153.2 | 174.8 | 53.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 1578 | D | 29.4 | Very low | 27.4 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | trans | -158.9 | 142.2 | 136.2 | -137.3 | -18.1 | 0 | 0 | 0 | 114.4 | ||||
| 1579 | K | 31.1 | Very low | 27.5 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | trans | 59 | 137.6 | 164.8 | -67.2 | 129.9 | -170.4 | 163.6 | 0 | 118.7 | ||||
| 1580 | N | 29.3 | Very low | 27.5 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 64% | 0.642 | 74% | 0.74 | S | S | * | * | cis | -164.2 | 140.6 | 1.5 | -112.2 | -5.3 | 0 | 0 | 0 | 112.6 | ||||
| 1581 | F | 28.4 | Very low | 27.5 | Very low | 185 Ų | 185 | 125.6 Ų | 125.6 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | trans | 51.1 | 148.8 | 153.6 | -61.8 | -66.7 | 0 | 0 | 0 | 121.6 | ||||
| 1582 | S | 28.2 | Very low | 27.2 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | cis | -162.5 | 156.7 | -7.1 | 44.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1583 | S | 25.2 | Very low | 27.1 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | trans | -78.4 | -174.8 | 177.7 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1584 | I | 27.2 | Very low | 27 | Very low | 153 Ų | 153 | 124.6 Ų | 124.6 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | cis | -168 | -176.7 | 19.5 | -143.7 | 173.4 | 0 | 0 | 0 | 107.5 | ||||
| 1585 | P | 32.2 | Very low | 26.6 | Very low | 98 Ų | 98 | 123.6 Ų | 123.6 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | cis | -137.1 | 171.3 | -15.1 | 44.5 | -27 | 0 | 0 | 0 | 117.6 | ||||
| 1586 | S | 24.9 | Very low | 26.4 | Very low | 95 Ų | 95 | 122.3 Ų | 122.3 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | trans | 43.5 | 123.1 | 135.7 | 71.3 | 0 | 0 | 0 | 0 | 128 | ||||
| 1587 | L | 25.7 | Very low | 26.1 | Very low | 163 Ų | 163 | 121.5 Ų | 121.5 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | 96.7 | 143.7 | 118.4 | -78.8 | 172.5 | 0 | 0 | 0 | 126.2 | |||||
| 1588 | Q | 24.3 | Very low | 26 | Very low | 163 Ų | 163 | 121.1 Ų | 121.1 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | 75.6 | 100.2 | 159.1 | -69.5 | -168.4 | -11.9 | 0 | 0 | 124.8 | ||||
| 1589 | L | 24.6 | Very low | 25.8 | Very low | 150 Ų | 150 | 119.9 Ų | 119.9 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | 58.3 | 123.1 | 119 | -80.5 | 159.8 | 0 | 0 | 0 | 125.3 | |||||
| 1590 | S | 24.9 | Very low | 25.4 | Very low | 107 Ų | 107 | 117.3 Ų | 117.3 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | 62.5 | 151.5 | 144.2 | 53.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1591 | S | 25.3 | Very low | 25.2 | Very low | 105 Ų | 105 | 119.3 Ų | 119.3 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | cis | -168.8 | -176.7 | -20.6 | 57.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1592 | S | 24.4 | Very low | 25.2 | Very low | 108 Ų | 108 | 115.6 Ų | 115.6 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | trans | 74.4 | 128 | -172.7 | 77.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1593 | S | 23.8 | Very low | 25 | Very low | 108 Ų | 108 | 117.9 Ų | 117.9 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | cis | 78.9 | 132.9 | 48.4 | 76.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 1594 | S | 23.9 | Very low | 25 | Very low | 106 Ų | 106 | 117.7 Ų | 117.7 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | cis | -177.5 | 165.5 | -1.4 | 44.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1595 | A | 23.1 | Very low | 25.1 | Very low | 94 Ų | 94 | 116.2 Ų | 116.2 | 78% | 0.777 | 73% | 0.732 | S | S | * | * | trans | 70.7 | 158.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1596 | S | 24 | Very low | 24.7 | Very low | 101 Ų | 101 | 118.1 Ų | 118.1 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | cis | -175 | 161.8 | -22.9 | 53 | 0 | 0 | 0 | 0 | 113 | ||||
| 1597 | S | 23 | Very low | 24.7 | Very low | 110 Ų | 110 | 119 Ų | 119 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | 77.3 | 156.6 | 154.9 | 84.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1598 | S | 24.2 | Very low | 24.5 | Very low | 90 Ų | 90 | 116.4 Ų | 116.4 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | cis | -161.3 | 147.3 | 2.3 | 19.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1599 | S | 24.3 | Very low | 24.6 | Very low | 91 Ų | 91 | 117.6 Ų | 117.6 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | 67.2 | -177.9 | 160.2 | 84.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1600 | S | 23.7 | Very low | 24.7 | Very low | 101 Ų | 101 | 115.6 Ų | 115.6 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -161.6 | 168.9 | 7.4 | -100.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1601 | Y | 25 | Very low | 24.9 | Very low | 163 Ų | 163 | 116.4 Ų | 116.4 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | cis | -171.9 | 104.7 | -42.5 | -141.2 | -22.1 | 0 | 0 | 0 | 113.1 | Q1663 | Y1601-Q1663 HydrophobicContact CE2-CG 4.39Š| ||
| 1602 | S | 27.3 | Very low | 25 | Very low | 106 Ų | 106 | 120.4 Ų | 120.4 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | 175.7 | 122.6 | 149.9 | 33.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1603 | L | 25.2 | Very low | 25.8 | Very low | 157 Ų | 157 | 118.5 Ų | 118.5 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | 65.5 | 131.9 | 84.4 | -63.2 | 166.7 | 0 | 0 | 0 | 114.5 | |||||
| 1604 | S | 23.4 | Very low | 26.5 | Very low | 103 Ų | 103 | 116.8 Ų | 116.8 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | cis | -172.5 | -172 | -7.4 | 55.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1605 | P | 29.4 | Very low | 27.4 | Very low | 122 Ų | 122 | 114.6 Ų | 114.6 | 79% | 0.792 | 71% | 0.706 | S | S | * | * | -119.9 | -178.9 | -69.5 | 39.4 | -25.4 | 0 | 0 | 0 | 114.4 | |||||
| 1606 | V | 24.3 | Very low | 28.5 | Very low | 138 Ų | 138 | 116.3 Ų | 116.3 | 84% | 0.836 | 70% | 0.697 | S | S | * | * | trans | -90.9 | 153.5 | -166.1 | 171.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1607 | C | 24.5 | Very low | 29.5 | Very low | 114 Ų | 114 | 115.3 Ų | 115.3 | 77% | 0.77 | 68% | 0.684 | S | S | * | * | trans | -31.9 | 134.7 | 163.6 | -174.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1608 | S | 22.6 | Very low | 30.8 | Very low | 108 Ų | 108 | 110.9 Ų | 110.9 | 76% | 0.755 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -107.1 | 75.3 | -176.5 | 52.3 | 0 | 0 | 0 | 0 | 114 | ||
| 1609 | Q | 26.1 | Very low | 32.3 | Very low | 188 Ų | 188 | 109.5 Ų | 109.5 | 88% | 0.879 | 64% | 0.636 | S | S | * | * | trans | -165.1 | 55.2 | 169.5 | -118.6 | 155.7 | 81.6 | 0 | 0 | 118.3 | ||||
| 1610 | S | 26.3 | Very low | 33.7 | Very low | 108 Ų | 108 | 109.6 Ų | 109.6 | 76% | 0.755 | 63% | 0.629 | S | S | * | * | trans | -141.3 | 4.1 | 175.6 | 56.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1611 | C | 28.3 | Very low | 34.9 | Very low | 123 Ų | 123 | 106.2 Ų | 106.2 | 83% | 0.831 | 61% | 0.607 | S | S | * | * | trans | -112 | 80.5 | -177.6 | -57.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1612 | K | 29.1 | Very low | 36.4 | Very low | 190 Ų | 190 | 98.8 Ų | 98.8 | 83% | 0.826 | 58% | 0.579 | S | S | * | * | trans | -140.1 | 0.7 | 172.9 | -76 | -163.8 | 175.1 | -174.5 | 0 | 116.3 | ||||
| 1613 | S | 39.8 | Very low | 37.8 | Very low | 68 Ų | 68 | 97.7 Ų | 97.7 | 48% | 0.476 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -79.5 | -47.8 | -178.5 | 45.5 | 0 | 0 | 0 | 0 | 113.7 | H1616 L1617 | S1613-H1616 WeakPolarHBondContact O-CB 3.43Å; S1613-H1616 PolarHBondContact O-N 3.36Å; S1613-L1617 PolarHBondContact O-N 3.21Å; S1613-L1617 VanDerWaalsContact O-N 3.12Å |
| 1614 | I | 38.9 | Very low | 38.9 | Very low | 72 Ų | 72 | 91.4 Ų | 91.4 | 37% | 0.369 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.3 | -47.3 | -171 | -58.6 | 172.6 | 0 | 0 | 0 | 112.8 | H1616 L1617 F1618 | I1614-H1616 PolarHBondContact O-N 3.18Å; I1614-L1617 PolarHBondContact O-N 3.49Å; I1614-F1618 PolarHBondContact O-N 3.18Å |
| 1615 | P | 43.7 | Very low | 40.2 | Very low | 59 Ų | 59 | 88.1 Ų | 88.1 | 38% | 0.383 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -26.5 | 177.4 | -22.7 | 34.9 | 0 | 0 | 0 | 113.5 | N1619 | P1615-N1619 PolarHBondContact O-N 3.08Å; P1615-N1619 VanDerWaalsContact O-N 3.16Å; P1615-N1619 PolarHBondContact O-ND2 3.3Å |
| 1616 | H | 44.9 | Very low | 41.3 | Very low | 130 Ų | 130 | 85.9 Ų | 85.9 | 60% | 0.602 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -75.4 | -41.9 | 177.7 | -164.2 | -11.9 | 0 | 0 | 0 | 111.3 | S1613 I1614 N1619 L1620 | S1613-H1616 WeakPolarHBondContact O-CB 3.43Å; S1613-H1616 PolarHBondContact O-N 3.36Å; I1614-H1616 PolarHBondContact O-N 3.18Å; H1616-N1619 PolarHBondContact O-N 3.39Å; H1616-L1620 WeakPolarHBondContact O-CB 3.36Å; H1616-L1620 PolarHBondContact O-N 2.89Å |
| 1617 | L | 46.1 | Very low | 42.6 | Very low | 80 Ų | 80 | 86.7 Ų | 86.7 | 42% | 0.419 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 173 | -88.9 | 161.5 | 0 | 0 | 0 | 111.9 | S1613 I1614 N1619 L1620 A1621 F1713 | S1613-L1617 PolarHBondContact O-N 3.21Å; S1613-L1617 VanDerWaalsContact O-N 3.12Å; I1614-L1617 PolarHBondContact O-N 3.49Å; L1617-N1619 PolarHBondContact O-N 2.78Å; L1617-L1620 WeakPolarHBondContact O-CB 3.32Å; L1617-L1620 PolarHBondContact O-N 3.45Å; L1617-L1620 VanDerWaalsContact O-N 3.13Å; L1617-A1621 PolarHBondContact O-N 2.88Å; L1617-F1713 HydrophobicContact CD1-CE2 3.93Å; L1617-F1713 HydrophobicContact CD1-CZ 3.91Å |
| 1618 | F | 50.9 | Low | 43.5 | Very low | 18 Ų | 18 | 86 Ų | 86 | 8% | 0.079 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 176.6 | -177 | -98.2 | 0 | 0 | 0 | 112.2 | I1614 A1621 L1622 L1645 W1649 F1675 | I1614-F1618 PolarHBondContact O-N 3.18Å; F1618-A1621 PolarHBondContact O-N 3.47Å; F1618-L1622 HydrophobicContact CD1-CD1 3.76Å; F1618-L1622 HydrophobicContact CD1-CG 4.39Å; F1618-L1622 HydrophobicContact CE1-CD1 3.32Å; F1618-L1622 HydrophobicContact CE1-CG 4.09Å; F1618-L1622 HydrophobicContact CZ-CD1 3.93Å; F1618-L1622 HydrophobicContact CZ-CG 4.34Å; F1618-L1622 WeakPolarHBondContact O-CB 3.28Å; F1618-L1622 WeakPolarHBondContact O-CG 3.37Å; F1618-L1622 PolarHBondContact O-N 3.36Å; F1618-L1645 HydrophobicContact CZ-CD2 4.29Å; F1618-W1649 HydrophobicContact CD1-CB 4.48Å; F1618-W1649 AromaticContact CD1-CD1 3.58Å; F1618-W1649 AromaticContact CD1-CD2 3.99Å; F1618-W1649 HydrophobicContact CD1-CD2 3.99Å; F1618-W1649 AromaticContact CD1-CE2 3.98Å; F1618-W1649 AromaticContact CD1-CG 3.76Å; F1618-W1649 HydrophobicContact CD1-CG 3.76Å; F1618-W1649 AromaticContact CD1-NE1 3.7Å; F1618-W1649 HydrophobicContact CD2-CD2 4.36Å; F1618-W1649 HydrophobicContact CE1-CB 3.49Å; F1618-W1649 VanDerWaalsContact CE1-CB 3.49Å; F1618-W1649 AromaticContact CE1-CD1 3.38Å; F1618-W1649 AromaticContact CE1-CD2 3.77Å; F1618-W1649 HydrophobicContact CE1-CD2 3.77Å; F1618-W1649 AromaticContact CE1-CG 3.2Å; F1618-W1649 HydrophobicContact CE1-CG 3.2Å; F1618-W1649 AromaticContact CE1-NE1 3.96Å; F1618-W1649 HydrophobicContact CE2-CD2 4.16Å; F1618-W1649 HydrophobicContact CE2-CE3 4.2Å; F1618-W1649 HydrophobicContact CE2-CG 4.32Å; F1618-W1649 HydrophobicContact CG-CD2 4.29Å; F1618-W1649 HydrophobicContact CG-CG 4.5Å; F1618-W1649 HydrophobicContact CZ-CB 3.54Å; F1618-W1649 AromaticContact CZ-CD2 3.87Å; F1618-W1649 HydrophobicContact CZ-CD2 3.87Å; F1618-W1649 HydrophobicContact CZ-CE3 4.24Å; F1618-W1649 AromaticContact CZ-CG 3.55Å; F1618-W1649 HydrophobicContact CZ-CG 3.55Å; F1618-F1675 HydrophobicContact CD2-CD2 4.06Å; F1618-F1675 AromaticContact CD2-CE2 3.9Å; F1618-F1675 HydrophobicContact CD2-CE2 3.9Å; F1618-F1675 AromaticContact CE2-CD2 3.84Å; F1618-F1675 HydrophobicContact CE2-CD2 3.84Å; F1618-F1675 AromaticContact CE2-CE2 3.72Å; F1618-F1675 HydrophobicContact CE2-CE2 3.72Å |
| 1619 | N | 55 | Low | 44.6 | Very low | 61 Ų | 61 | 81.9 Ų | 81.9 | 33% | 0.326 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.9 | -32.8 | 173.8 | -81.6 | -79.8 | 0 | 0 | 0 | 113.1 | P1615 H1616 L1617 N1623 | P1615-N1619 PolarHBondContact O-N 3.08Å; P1615-N1619 VanDerWaalsContact O-N 3.16Å; P1615-N1619 PolarHBondContact O-ND2 3.3Å; H1616-N1619 PolarHBondContact O-N 3.39Å; L1617-N1619 PolarHBondContact O-N 2.78Å; N1619-N1623 WeakPolarHBondContact O-CB 3.31Å; N1619-N1623 PolarHBondContact O-N 3.17Å; N1619-N1623 PolarHBondContact O-OD1 2.93Å |
| 1620 | L | 52.9 | Low | 45.8 | Very low | 93 Ų | 93 | 76.1 Ų | 76.1 | 49% | 0.487 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 174.9 | -119.5 | 153.4 | 0 | 0 | 0 | 111.6 | H1616 L1617 N1623 G1624 | H1616-L1620 WeakPolarHBondContact O-CB 3.36Å; H1616-L1620 PolarHBondContact O-N 2.89Å; L1617-L1620 WeakPolarHBondContact O-CB 3.32Å; L1617-L1620 PolarHBondContact O-N 3.45Å; L1617-L1620 VanDerWaalsContact O-N 3.13Å; L1620-N1623 PolarHBondContact O-N 2.86Å; L1620-G1624 PolarHBondContact O-N 2.76Å |
| 1621 | A | 50 | Low | 46.1 | Very low | 30 Ų | 30 | 78.6 Ų | 78.6 | 25% | 0.248 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1617 F1618 G1624 L1625 | L1617-A1621 PolarHBondContact O-N 2.88Å; F1618-A1621 PolarHBondContact O-N 3.47Å; A1621-G1624 PolarHBondContact O-N 3.22Å; A1621-L1625 WeakPolarHBondContact O-CG 3.44Å; A1621-L1625 PolarHBondContact O-N 2.96Å |
| 1622 | L | 56.6 | Low | 46.7 | Very low | 6 Ų | 6 | 75.8 Ų | 75.8 | 3% | 0.031 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 173.4 | -78.5 | 176.1 | 0 | 0 | 0 | 112.1 | F1618 L1625 Q1626 I1642 K1646 | F1618-L1622 HydrophobicContact CD1-CD1 3.76Å; F1618-L1622 HydrophobicContact CD1-CG 4.39Å; F1618-L1622 HydrophobicContact CE1-CD1 3.32Å; F1618-L1622 HydrophobicContact CE1-CG 4.09Å; F1618-L1622 HydrophobicContact CZ-CD1 3.93Å; F1618-L1622 HydrophobicContact CZ-CG 4.34Å; F1618-L1622 WeakPolarHBondContact O-CB 3.28Å; F1618-L1622 WeakPolarHBondContact O-CG 3.37Å; F1618-L1622 PolarHBondContact O-N 3.36Å; L1622-L1625 PolarHBondContact O-N 2.85Å; L1622-Q1626 VanDerWaalsContact O-CB 3.32Å; L1622-Q1626 WeakPolarHBondContact O-CB 3.29Å; L1622-Q1626 PolarHBondContact O-N 3.2Å; L1622-I1642 HydrophobicContact CD2-CG2 3.99Å; L1622-K1646 HydrophobicContact CD1-CB 4.16Å; L1622-K1646 HydrophobicContact CD1-CD 4.45Å; L1622-K1646 HydrophobicContact CD1-CG 4.2Å |
| 1623 | N | 54.9 | Low | 47.3 | Very low | 84 Ų | 84 | 71.5 Ų | 71.5 | 45% | 0.449 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 178.1 | -72.4 | -4.6 | 0 | 0 | 0 | 111.6 | N1619 L1620 Q1626 E1627 | N1619-N1623 WeakPolarHBondContact O-CB 3.31Å; N1619-N1623 PolarHBondContact O-N 3.17Å; N1619-N1623 PolarHBondContact O-OD1 2.93Å; L1620-N1623 PolarHBondContact O-N 2.86Å; N1623-Q1626 PolarHBondContact O-N 3.42Å; N1623-E1627 PolarHBondContact O-N 3.06Å |
| 1624 | G | 48.7 | Very low | 47.3 | Very low | 25 Ų | 25 | 70.7 Ų | 70.7 | 26% | 0.258 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1620 A1621 Q1626 E1627 I1628 | L1620-G1624 PolarHBondContact O-N 2.76Å; A1621-G1624 PolarHBondContact O-N 3.22Å; G1624-Q1626 VanDerWaalsContact C-N 3.32Å; G1624-Q1626 PolarHBondContact O-N 3.47Å; G1624-E1627 PolarHBondContact O-N 3.44Å; G1624-I1628 WeakPolarHBondContact O-CD1 3.34Å; G1624-I1628 VanDerWaalsContact O-CG1 3.24Å; G1624-I1628 WeakPolarHBondContact O-CG1 3.47Å; G1624-I1628 PolarHBondContact O-N 2.84Å |
| 1625 | L | 51.1 | Low | 47.6 | Very low | 34 Ų | 34 | 69.7 Ų | 69.7 | 18% | 0.178 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 171.1 | -73.7 | 165.5 | 0 | 0 | 0 | 111.3 | A1621 L1622 I1628 F1629 I1642 T1702 | A1621-L1625 WeakPolarHBondContact O-CG 3.44Å; A1621-L1625 PolarHBondContact O-N 2.96Å; L1622-L1625 PolarHBondContact O-N 2.85Å; L1625-I1628 PolarHBondContact O-N 3.08Å; L1625-F1629 HydrophobicContact CD2-CE2 4.2Å; L1625-F1629 VanDerWaalsContact O-CD2 3.23Å; L1625-F1629 WeakPolarHBondContact O-CD2 3.23Å; L1625-F1629 PolarHBondContact O-N 3.16Å; L1625-I1642 HydrophobicContact CB-CD1 4.07Å; L1625-T1702 HydrophobicContact CD2-CG2 4.05Å |
| 1626 | Q | 53.4 | Low | 47.9 | Very low | 74 Ų | 74 | 73 Ų | 73 | 35% | 0.346 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.7 | -35.8 | 179.4 | -164.6 | 167.8 | 3.3 | 0 | 0 | 112.5 | L1622 N1623 G1624 S1630 | L1622-Q1626 VanDerWaalsContact O-CB 3.32Å; L1622-Q1626 WeakPolarHBondContact O-CB 3.29Å; L1622-Q1626 PolarHBondContact O-N 3.2Å; N1623-Q1626 PolarHBondContact O-N 3.42Å; G1624-Q1626 VanDerWaalsContact C-N 3.32Å; G1624-Q1626 PolarHBondContact O-N 3.47Å; Q1626-S1630 PolarHBondContact O-N 2.94Å; Q1626-S1630 PolarHBondContact O-OG 3.2Å |
| 1627 | E | 50.8 | Low | 47.8 | Very low | 155 Ų | 155 | 71.3 Ų | 71.3 | 72% | 0.724 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.2 | -48.4 | 167.1 | -85.3 | -169.6 | 131.1 | 0 | 0 | 111.7 | N1623 G1624 F1629 S1630 | N1623-E1627 PolarHBondContact O-N 3.06Å; G1624-E1627 PolarHBondContact O-N 3.44Å; E1627-F1629 PolarHBondContact O-N 3.29Å; E1627-S1630 VanDerWaalsContact O-CB 3.27Å; E1627-S1630 WeakPolarHBondContact O-CB 3.41Å; E1627-S1630 PolarHBondContact O-N 3.36Å; E1627-S1630 PolarHBondContact O-OG 3.46Å |
| 1628 | I | 44 | Very low | 47.8 | Very low | 101 Ų | 101 | 68 Ų | 68 | 52% | 0.518 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | -176.9 | -72.1 | 163.4 | 0 | 0 | 0 | 111.9 | G1624 L1625 S1630 | G1624-I1628 WeakPolarHBondContact O-CD1 3.34Å; G1624-I1628 VanDerWaalsContact O-CG1 3.24Å; G1624-I1628 WeakPolarHBondContact O-CG1 3.47Å; G1624-I1628 PolarHBondContact O-N 2.84Å; L1625-I1628 PolarHBondContact O-N 3.08Å; I1628-S1630 VanDerWaalsContact C-N 3.32Å; I1628-S1630 PolarHBondContact O-N 2.84Å |
| 1629 | F | 45.6 | Very low | 48 | Very low | 20 Ų | 20 | 69.6 Ų | 69.6 | 9% | 0.088 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -81.9 | -5.3 | -179.4 | -71.7 | -66.5 | 0 | 0 | 0 | 114.6 | L1625 E1627 N1631 N1635 A1638 I1642 I1698 | L1625-F1629 HydrophobicContact CD2-CE2 4.2Å; L1625-F1629 VanDerWaalsContact O-CD2 3.23Å; L1625-F1629 WeakPolarHBondContact O-CD2 3.23Å; L1625-F1629 PolarHBondContact O-N 3.16Å; E1627-F1629 PolarHBondContact O-N 3.29Å; F1629-N1631 PolarHBondContact O-N 2.83Å; F1629-N1635 PolarHBondContact O-OD1 2.92Å; F1629-A1638 HydrophobicContact CB-CB 3.83Å; F1629-A1638 HydrophobicContact CD1-CB 3.73Å; F1629-A1638 HydrophobicContact CD2-CB 4.01Å; F1629-A1638 HydrophobicContact CE1-CB 4.3Å; F1629-A1638 HydrophobicContact CG-CB 3.58Å; F1629-I1642 HydrophobicContact CD2-CD1 3.82Å; F1629-I1642 HydrophobicContact CE2-CD1 4.39Å; F1629-I1698 HydrophobicContact CZ-CG2 4.15Å |
| 1630 | S | 50.2 | Low | 47.9 | Very low | 67 Ų | 67 | 71.3 Ų | 71.3 | 47% | 0.469 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -18.7 | -175.7 | -72.5 | 0 | 0 | 0 | 0 | 115.2 | Q1626 E1627 I1628 N1635 | Q1626-S1630 PolarHBondContact O-N 2.94Å; Q1626-S1630 PolarHBondContact O-OG 3.2Å; E1627-S1630 VanDerWaalsContact O-CB 3.27Å; E1627-S1630 WeakPolarHBondContact O-CB 3.41Å; E1627-S1630 PolarHBondContact O-N 3.36Å; E1627-S1630 PolarHBondContact O-OG 3.46Å; I1628-S1630 VanDerWaalsContact C-N 3.32Å; I1628-S1630 PolarHBondContact O-N 2.84Å; S1630-N1635 PolarHBondContact O-ND2 3.26Å |
| 1631 | N | 34.2 | Very low | 47.6 | Very low | 161 Ų | 161 | 69.7 Ų | 69.7 | 86% | 0.861 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.9 | 20 | -156 | -123.3 | -15.5 | 0 | 0 | 0 | 115.9 | F1629 | F1629-N1631 PolarHBondContact O-N 2.83Š|
| 1632 | S | 39.2 | Very low | 48 | Very low | 63 Ų | 63 | 68.9 Ų | 68.9 | 44% | 0.441 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -145.9 | 166.7 | 173.8 | 76.8 | 0 | 0 | 0 | 0 | 113.2 | L1634 N1635 | S1632-L1634 PolarHBondContact O-N 2.98Å; S1632-N1635 WeakPolarHBondContact O-CB 3.22Å; S1632-N1635 PolarHBondContact O-N 3.09Å |
| 1633 | Q | 41.9 | Very low | 48.1 | Very low | 100 Ų | 100 | 73.7 Ų | 73.7 | 47% | 0.467 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15 | -174.2 | -62.9 | 166.6 | -31.1 | 0 | 0 | 114.4 | I1372 D1373 N1374 N1635 | I1372-Q1633 HydrophobicContact CD1-CG 4.36Å; I1372-Q1633 HydrophobicContact CG2-CG 3.94Å; D1373-Q1633 PolarHBondContact O-NE2 3.41Å; N1374-Q1633 PolarHBondContact ND2-OE1 3.38Å; N1374-Q1633 PolarHBondContact OD1-OE1 3.42Å; Q1633-N1635 PolarHBondContact O-N 3.04Å |
| 1634 | L | 39.2 | Very low | 48.1 | Very low | 51 Ų | 51 | 77 Ų | 77 | 27% | 0.267 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -2.3 | 179.4 | -71 | 163.1 | 0 | 0 | 0 | 114.3 | S1632 I1636 I1637 A1638 I1695 | S1632-L1634 PolarHBondContact O-N 2.98Å; L1634-I1636 VanDerWaalsContact C-N 3.26Å; L1634-I1636 PolarHBondContact O-N 2.98Å; L1634-I1637 PolarHBondContact O-N 3.14Å; L1634-A1638 PolarHBondContact O-N 3.47Å; L1634-I1695 HydrophobicContact CD1-CD1 3.75Å; L1634-I1695 HydrophobicContact CD1-CG1 3.94Å; L1634-I1695 HydrophobicContact CD2-CD1 3.92Å; L1634-I1695 HydrophobicContact CG-CD1 4.38Å |
| 1635 | N | 47.1 | Very low | 48.2 | Very low | 51 Ų | 51 | 76.9 Ų | 76.9 | 27% | 0.273 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -47.3 | -40.5 | -170.5 | -140.6 | -20.9 | 0 | 0 | 0 | 114.4 | F1629 S1630 S1632 Q1633 L1639 | F1629-N1635 PolarHBondContact O-OD1 2.92Å; S1630-N1635 PolarHBondContact O-ND2 3.26Å; S1632-N1635 WeakPolarHBondContact O-CB 3.22Å; S1632-N1635 PolarHBondContact O-N 3.09Å; Q1633-N1635 PolarHBondContact O-N 3.04Å; N1635-L1639 WeakPolarHBondContact O-CB 3.42Å; N1635-L1639 PolarHBondContact O-N 3.06Å; N1635-L1639 WeakPolarHBondContact OD1-CD1 3.35Å |
| 1636 | I | 49 | Very low | 48.6 | Very low | 129 Ų | 129 | 78.9 Ų | 78.9 | 66% | 0.662 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -69.2 | -40.9 | -172.4 | -59.7 | 176.1 | 0 | 0 | 0 | 112.6 | L1634 N1640 | L1634-I1636 VanDerWaalsContact C-N 3.26Å; L1634-I1636 PolarHBondContact O-N 2.98Å; I1636-N1640 WeakPolarHBondContact O-CB 3.42Å; I1636-N1640 PolarHBondContact O-N 2.99Å; I1636-N1640 PolarHBondContact O-ND2 2.72Å |
| 1637 | I | 43.3 | Very low | 48.8 | Very low | 94 Ų | 94 | 78.1 Ų | 78.1 | 48% | 0.482 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -76.3 | -36.6 | -179.9 | -58.8 | 178 | 0 | 0 | 0 | 110 | L1634 T1641 | L1634-I1637 PolarHBondContact O-N 3.14Å; I1637-T1641 WeakPolarHBondContact O-CG2 3.28Å; I1637-T1641 PolarHBondContact O-N 2.9Å; I1637-T1641 VanDerWaalsContact O-N 3.11Å; I1637-T1641 PolarHBondContact O-OG1 2.95Å |
| 1638 | A | 46.3 | Very low | 48.8 | Very low | 12 Ų | 12 | 73.6 Ų | 73.6 | 10% | 0.099 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64 | -47.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1629 L1634 N1640 T1641 I1642 | F1629-A1638 HydrophobicContact CB-CB 3.83Å; F1629-A1638 HydrophobicContact CD1-CB 3.73Å; F1629-A1638 HydrophobicContact CD2-CB 4.01Å; F1629-A1638 HydrophobicContact CE1-CB 4.3Å; F1629-A1638 HydrophobicContact CG-CB 3.58Å; L1634-A1638 PolarHBondContact O-N 3.47Å; A1638-N1640 PolarHBondContact O-N 3.32Å; A1638-T1641 PolarHBondContact O-N 3.25Å; A1638-T1641 PolarHBondContact O-OG1 2.94Å; A1638-T1641 VanDerWaalsContact O-OG1 3.05Å; A1638-I1642 VanDerWaalsContact O-CB 3.32Å; A1638-I1642 WeakPolarHBondContact O-CB 3.27Å; A1638-I1642 WeakPolarHBondContact O-CD1 3.48Å; A1638-I1642 WeakPolarHBondContact O-CG1 3.29Å; A1638-I1642 PolarHBondContact O-N 3.34Å |
| 1639 | L | 55.3 | Low | 49.3 | Very low | 51 Ų | 51 | 70.8 Ų | 70.8 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 176.6 | -108.1 | 82.6 | 0 | 0 | 0 | 112 | N1635 T1641 I1642 Q1643 | N1635-L1639 WeakPolarHBondContact O-CB 3.42Å; N1635-L1639 PolarHBondContact O-N 3.06Å; N1635-L1639 WeakPolarHBondContact OD1-CD1 3.35Å; L1639-T1641 VanDerWaalsContact C-N 3.32Å; L1639-T1641 PolarHBondContact O-N 2.88Å; L1639-I1642 PolarHBondContact O-N 3.34Å; L1639-Q1643 VanDerWaalsContact O-CB 3.29Å; L1639-Q1643 WeakPolarHBondContact O-CB 3.44Å; L1639-Q1643 VanDerWaalsContact O-CG 3.3Å; L1639-Q1643 WeakPolarHBondContact O-CG 3.3Å; L1639-Q1643 PolarHBondContact O-N 2.99Å |
| 1640 | N | 51.5 | Low | 49.7 | Very low | 97 Ų | 97 | 74.5 Ų | 74.5 | 52% | 0.519 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.4 | -35.4 | -178.6 | -82.8 | -62.4 | 0 | 0 | 0 | 112.8 | I1636 A1638 K1644 | I1636-N1640 WeakPolarHBondContact O-CB 3.42Å; I1636-N1640 PolarHBondContact O-N 2.99Å; I1636-N1640 PolarHBondContact O-ND2 2.72Å; A1638-N1640 PolarHBondContact O-N 3.32Å; N1640-K1644 WeakPolarHBondContact O-CB 3.45Å; N1640-K1644 PolarHBondContact O-N 3.47Å |
| 1641 | T | 47.9 | Very low | 49.6 | Very low | 59 Ų | 59 | 76.4 Ų | 76.4 | 36% | 0.362 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -73.6 | -42 | 174.5 | 50.3 | 0 | 0 | 0 | 0 | 112 | I1637 A1638 L1639 Q1643 K1644 L1645 | I1637-T1641 WeakPolarHBondContact O-CG2 3.28Å; I1637-T1641 PolarHBondContact O-N 2.9Å; I1637-T1641 VanDerWaalsContact O-N 3.11Å; I1637-T1641 PolarHBondContact O-OG1 2.95Å; A1638-T1641 PolarHBondContact O-N 3.25Å; A1638-T1641 PolarHBondContact O-OG1 2.94Å; A1638-T1641 VanDerWaalsContact O-OG1 3.05Å; L1639-T1641 VanDerWaalsContact C-N 3.32Å; L1639-T1641 PolarHBondContact O-N 2.88Å; T1641-Q1643 PolarHBondContact O-N 2.89Å; T1641-K1644 PolarHBondContact O-N 2.96Å; T1641-L1645 PolarHBondContact O-N 3.08Å |
| 1642 | I | 58.4 | Low | 50.2 | Low | 13 Ų | 13 | 73.2 Ų | 73.2 | 7% | 0.067 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 174 | -71.4 | 170 | 0 | 0 | 0 | 111.7 | L1622 L1625 F1629 A1638 L1639 L1645 K1646 | L1622-I1642 HydrophobicContact CD2-CG2 3.99Å; L1625-I1642 HydrophobicContact CB-CD1 4.07Å; F1629-I1642 HydrophobicContact CD2-CD1 3.82Å; F1629-I1642 HydrophobicContact CE2-CD1 4.39Å; A1638-I1642 VanDerWaalsContact O-CB 3.32Å; A1638-I1642 WeakPolarHBondContact O-CB 3.27Å; A1638-I1642 WeakPolarHBondContact O-CD1 3.48Å; A1638-I1642 WeakPolarHBondContact O-CG1 3.29Å; A1638-I1642 PolarHBondContact O-N 3.34Å; L1639-I1642 PolarHBondContact O-N 3.34Å; I1642-L1645 WeakPolarHBondContact O-CB 3.5Å; I1642-L1645 PolarHBondContact O-N 3.24Å; I1642-K1646 WeakPolarHBondContact O-CB 3.28Å; I1642-K1646 PolarHBondContact O-N 3.26Å |
| 1643 | Q | 59 | Low | 50.5 | Low | 107 Ų | 107 | 73.1 Ų | 73.1 | 50% | 0.5 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.8 | -37.8 | 175.5 | -73.9 | 178.3 | -89 | 0 | 0 | 112 | L1639 T1641 K1646 S1647 | L1639-Q1643 VanDerWaalsContact O-CB 3.29Å; L1639-Q1643 WeakPolarHBondContact O-CB 3.44Å; L1639-Q1643 VanDerWaalsContact O-CG 3.3Å; L1639-Q1643 WeakPolarHBondContact O-CG 3.3Å; L1639-Q1643 PolarHBondContact O-N 2.99Å; T1641-Q1643 PolarHBondContact O-N 2.89Å; Q1643-K1646 PolarHBondContact O-N 3.48Å; Q1643-S1647 WeakPolarHBondContact O-CB 3.4Å; Q1643-S1647 PolarHBondContact O-N 3.08Å; Q1643-S1647 PolarHBondContact O-OG 3.48Å |
| 1644 | K | 54.4 | Low | 50.5 | Low | 154 Ų | 154 | 73.7 Ų | 73.7 | 67% | 0.67 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.3 | -50 | 169.3 | -93.4 | -175.3 | 173.1 | 179.5 | 0 | 111.1 | N1640 T1641 K1646 S1647 T1648 | N1640-K1644 WeakPolarHBondContact O-CB 3.45Å; N1640-K1644 PolarHBondContact O-N 3.47Å; T1641-K1644 PolarHBondContact O-N 2.96Å; K1644-K1646 VanDerWaalsContact C-N 3.32Å; K1644-K1646 PolarHBondContact O-N 3.44Å; K1644-S1647 WeakPolarHBondContact CA-OG 3.13Å; K1644-S1647 PolarHBondContact O-N 3.09Å; K1644-S1647 VanDerWaalsContact O-N 3.07Å; K1644-S1647 PolarHBondContact O-OG 3.4Å; K1644-T1648 PolarHBondContact O-N 3.23Å; K1644-T1648 PolarHBondContact O-OG1 2.9Å; K1644-T1648 VanDerWaalsContact O-OG1 3.14Å |
| 1645 | L | 51.3 | Low | 50.2 | Low | 22 Ų | 22 | 76.8 Ų | 76.8 | 12% | 0.115 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57.3 | -42.2 | 177.3 | -119.4 | 171.9 | 0 | 0 | 0 | 112.8 | F1618 T1641 I1642 T1648 W1649 M1682 | F1618-L1645 HydrophobicContact CZ-CD2 4.29Å; T1641-L1645 PolarHBondContact O-N 3.08Å; I1642-L1645 WeakPolarHBondContact O-CB 3.5Å; I1642-L1645 PolarHBondContact O-N 3.24Å; L1645-T1648 PolarHBondContact O-OG1 2.92Å; L1645-W1649 VanDerWaalsContact O-CB 3.32Å; L1645-W1649 WeakPolarHBondContact O-CB 3.23Å; L1645-W1649 PolarHBondContact O-N 3.4Å; L1645-M1682 HydrophobicContact CD1-CE 3.47Å; L1645-M1682 VanDerWaalsContact CD1-CE 3.47Å; L1645-M1682 HydrophobicContact CD1-SD 3.73Å; L1645-M1682 HydrophobicContact CG-SD 4.34Å |
| 1646 | K | 59.1 | Low | 49.3 | Very low | 76 Ų | 76 | 85.5 Ų | 85.5 | 33% | 0.33 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 174.6 | -170.5 | 169.9 | -175.2 | 167.2 | 0 | 111.8 | L1622 I1642 Q1643 K1644 Q1650 | L1622-K1646 HydrophobicContact CD1-CB 4.16Å; L1622-K1646 HydrophobicContact CD1-CD 4.45Å; L1622-K1646 HydrophobicContact CD1-CG 4.2Å; I1642-K1646 WeakPolarHBondContact O-CB 3.28Å; I1642-K1646 PolarHBondContact O-N 3.26Å; Q1643-K1646 PolarHBondContact O-N 3.48Å; K1644-K1646 VanDerWaalsContact C-N 3.32Å; K1644-K1646 PolarHBondContact O-N 3.44Å; K1646-Q1650 WeakPolarHBondContact O-CG 3.23Å; K1646-Q1650 PolarHBondContact O-N 3.31Å |
| 1647 | S | 57.5 | Low | 48.2 | Very low | 57 Ų | 57 | 86.9 Ų | 86.9 | 40% | 0.399 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69.7 | -41.1 | 178.5 | 73.9 | 0 | 0 | 0 | 0 | 113.2 | Q1643 K1644 Q1650 M1651 | Q1643-S1647 WeakPolarHBondContact O-CB 3.4Å; Q1643-S1647 PolarHBondContact O-N 3.08Å; Q1643-S1647 PolarHBondContact O-OG 3.48Å; K1644-S1647 WeakPolarHBondContact CA-OG 3.13Å; K1644-S1647 PolarHBondContact O-N 3.09Å; K1644-S1647 VanDerWaalsContact O-N 3.07Å; K1644-S1647 PolarHBondContact O-OG 3.4Å; S1647-Q1650 PolarHBondContact O-N 3.1Å; S1647-M1651 WeakPolarHBondContact O-CB 3.34Å; S1647-M1651 WeakPolarHBondContact O-CG 2.97Å; S1647-M1651 PolarHBondContact O-N 3.04Å |
| 1648 | T | 50.8 | Low | 47.4 | Very low | 61 Ų | 61 | 90.5 Ų | 90.5 | 37% | 0.374 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.5 | -38.7 | 175.6 | 46.5 | 0 | 0 | 0 | 0 | 111.5 | K1644 L1645 M1651 T1652 | K1644-T1648 PolarHBondContact O-N 3.23Å; K1644-T1648 PolarHBondContact O-OG1 2.9Å; K1644-T1648 VanDerWaalsContact O-OG1 3.14Å; L1645-T1648 PolarHBondContact O-OG1 2.92Å; T1648-M1651 PolarHBondContact O-N 3.33Å; T1648-T1652 PolarHBondContact O-N 2.96Å; T1648-T1652 PolarHBondContact O-OG1 2.86Å; T1648-T1652 VanDerWaalsContact O-OG1 3.05Å |
| 1649 | W | 54.5 | Low | 46.6 | Very low | 41 Ų | 41 | 95.3 Ų | 95.3 | 16% | 0.155 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -61 | -46 | 173.3 | -178.2 | -98.6 | 0 | 0 | 0 | 112.4 | F1618 L1645 T1652 C1653 | F1618-W1649 HydrophobicContact CD1-CB 4.48Å; F1618-W1649 AromaticContact CD1-CD1 3.58Å; F1618-W1649 AromaticContact CD1-CD2 3.99Å; F1618-W1649 HydrophobicContact CD1-CD2 3.99Å; F1618-W1649 AromaticContact CD1-CE2 3.98Å; F1618-W1649 AromaticContact CD1-CG 3.76Å; F1618-W1649 HydrophobicContact CD1-CG 3.76Å; F1618-W1649 AromaticContact CD1-NE1 3.7Å; F1618-W1649 HydrophobicContact CD2-CD2 4.36Å; F1618-W1649 HydrophobicContact CE1-CB 3.49Å; F1618-W1649 VanDerWaalsContact CE1-CB 3.49Å; F1618-W1649 AromaticContact CE1-CD1 3.38Å; F1618-W1649 AromaticContact CE1-CD2 3.77Å; F1618-W1649 HydrophobicContact CE1-CD2 3.77Å; F1618-W1649 AromaticContact CE1-CG 3.2Å; F1618-W1649 HydrophobicContact CE1-CG 3.2Å; F1618-W1649 AromaticContact CE1-NE1 3.96Å; F1618-W1649 HydrophobicContact CE2-CD2 4.16Å; F1618-W1649 HydrophobicContact CE2-CE3 4.2Å; F1618-W1649 HydrophobicContact CE2-CG 4.32Å; F1618-W1649 HydrophobicContact CG-CD2 4.29Å; F1618-W1649 HydrophobicContact CG-CG 4.5Å; F1618-W1649 HydrophobicContact CZ-CB 3.54Å; F1618-W1649 AromaticContact CZ-CD2 3.87Å; F1618-W1649 HydrophobicContact CZ-CD2 3.87Å; F1618-W1649 HydrophobicContact CZ-CE3 4.24Å; F1618-W1649 AromaticContact CZ-CG 3.55Å; F1618-W1649 HydrophobicContact CZ-CG 3.55Å; L1645-W1649 VanDerWaalsContact O-CB 3.32Å; L1645-W1649 WeakPolarHBondContact O-CB 3.23Å; L1645-W1649 PolarHBondContact O-N 3.4Å; W1649-T1652 WeakPolarHBondContact CA-OG1 3.2Å; W1649-T1652 PolarHBondContact O-N 3.39Å; W1649-T1652 PolarHBondContact O-OG1 3.19Å; W1649-C1653 PolarHBondContact O-N 2.96Å; W1649-C1653 PolarHBondContact O-SG 2.86Å; W1649-C1653 VanDerWaalsContact O-SG 3.41Å |
| 1650 | Q | 54.2 | Low | 45.1 | Very low | 99 Ų | 99 | 104.4 Ų | 104.4 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61 | -46 | 173.5 | -75.4 | -174.7 | -118.6 | 0 | 0 | 111.4 | K1646 S1647 T1652 C1653 D1654 | K1646-Q1650 WeakPolarHBondContact O-CG 3.23Å; K1646-Q1650 PolarHBondContact O-N 3.31Å; S1647-Q1650 PolarHBondContact O-N 3.1Å; Q1650-T1652 VanDerWaalsContact C-N 3.27Å; Q1650-T1652 PolarHBondContact O-N 3.07Å; Q1650-C1653 WeakPolarHBondContact O-CA 3.37Å; Q1650-C1653 WeakPolarHBondContact O-CB 3.37Å; Q1650-C1653 PolarHBondContact O-N 3.5Å; Q1650-D1654 WeakPolarHBondContact O-CB 3.26Å; Q1650-D1654 VanDerWaalsContact O-CG 3.23Å; Q1650-D1654 PolarHBondContact O-N 2.67Å |
| 1651 | M | 47.4 | Very low | 43.8 | Very low | 107 Ų | 107 | 108.7 Ų | 108.7 | 53% | 0.527 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.8 | -34.8 | 174.8 | -68.3 | -110.3 | 68.3 | 0 | 0 | 113.2 | S1647 T1648 N1655 | S1647-M1651 WeakPolarHBondContact O-CB 3.34Å; S1647-M1651 WeakPolarHBondContact O-CG 2.97Å; S1647-M1651 PolarHBondContact O-N 3.04Å; T1648-M1651 PolarHBondContact O-N 3.33Å; M1651-N1655 VanDerWaalsContact O-CB 3.27Å; M1651-N1655 WeakPolarHBondContact O-CB 3.36Å; M1651-N1655 VanDerWaalsContact O-CG 3.29Å; M1651-N1655 PolarHBondContact O-N 2.88Å; M1651-N1655 PolarHBondContact O-ND2 2.92Å |
| 1652 | T | 48 | Very low | 42.7 | Very low | 93 Ų | 93 | 110.9 Ų | 110.9 | 57% | 0.571 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -75.5 | -28.1 | 172.9 | 42.7 | 0 | 0 | 0 | 0 | 114 | T1648 W1649 Q1650 | T1648-T1652 PolarHBondContact O-N 2.96Å; T1648-T1652 PolarHBondContact O-OG1 2.86Å; T1648-T1652 VanDerWaalsContact O-OG1 3.05Å; W1649-T1652 WeakPolarHBondContact CA-OG1 3.2Å; W1649-T1652 PolarHBondContact O-N 3.39Å; W1649-T1652 PolarHBondContact O-OG1 3.19Å; Q1650-T1652 VanDerWaalsContact C-N 3.27Å; Q1650-T1652 PolarHBondContact O-N 3.07Å |
| 1653 | C | 45.4 | Very low | 41 | Very low | 62 Ų | 62 | 115.3 Ų | 115.3 | 42% | 0.419 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -74.1 | -38.5 | 172.4 | -72.5 | 0 | 0 | 0 | 0 | 112.6 | W1649 Q1650 | W1649-C1653 PolarHBondContact O-N 2.96Å; W1649-C1653 PolarHBondContact O-SG 2.86Å; W1649-C1653 VanDerWaalsContact O-SG 3.41Å; Q1650-C1653 WeakPolarHBondContact O-CA 3.37Å; Q1650-C1653 WeakPolarHBondContact O-CB 3.37Å; Q1650-C1653 PolarHBondContact O-N 3.5Å |
| 1654 | D | 41 | Very low | 39.3 | Very low | 111 Ų | 111 | 116 Ų | 116 | 59% | 0.594 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -84.2 | -26.4 | -171.2 | -64.3 | -30.3 | 0 | 0 | 0 | 112.7 | Q1650 R1656 | Q1650-D1654 WeakPolarHBondContact O-CB 3.26Å; Q1650-D1654 VanDerWaalsContact O-CG 3.23Å; Q1650-D1654 PolarHBondContact O-N 2.67Å; D1654-R1656 PolarHBondContact O-N 3.47Å |
| 1655 | N | 33.5 | Very low | 37.9 | Very low | 116 Ų | 116 | 116.6 Ų | 116.6 | 62% | 0.62 | 59% | 0.592 | S | S | * | * | trans | -75.6 | 52.9 | 179.4 | -80.5 | -38.6 | 0 | 0 | 0 | 114.4 | M1651 L1657 | M1651-N1655 VanDerWaalsContact O-CB 3.27Å; M1651-N1655 WeakPolarHBondContact O-CB 3.36Å; M1651-N1655 VanDerWaalsContact O-CG 3.29Å; M1651-N1655 PolarHBondContact O-N 2.88Å; M1651-N1655 PolarHBondContact O-ND2 2.92Å; N1655-L1657 PolarHBondContact O-N 3.39Å | ||
| 1656 | R | 28.3 | Very low | 36.6 | Very low | 235 Ų | 235 | 122.8 Ų | 122.8 | 89% | 0.887 | 63% | 0.63 | S | S | * | * | trans | -77.7 | 52.9 | 168.4 | -77.8 | -173.8 | 159.8 | -150.8 | -3 | 112.8 | D1654 | D1654-R1656 PolarHBondContact O-N 3.47Š| ||
| 1657 | L | 25 | Very low | 35 | Very low | 158 Ų | 158 | 121.2 Ų | 121.2 | 83% | 0.827 | 64% | 0.636 | S | S | * | * | trans | -153.6 | 76.8 | 178.4 | -115.4 | 172.2 | 0 | 0 | 0 | 114.9 | N1655 | N1655-L1657 PolarHBondContact O-N 3.39Š| ||
| 1658 | L | 27.4 | Very low | 33.5 | Very low | 169 Ų | 169 | 124.9 Ų | 124.9 | 89% | 0.885 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -137.7 | 134.7 | 148.6 | -95.9 | 167.5 | 0 | 0 | 0 | 107.6 | ||
| 1659 | P | 28.7 | Very low | 32.5 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 74% | 0.74 | 67% | 0.667 | S | S | * | * | trans | -86 | 161.4 | -157.5 | 33.2 | -36.8 | 0 | 0 | 0 | 114.9 | Q1661 | P1659-Q1661 PolarHBondContact O-N 3.49Š| ||
| 1660 | R | 24.5 | Very low | 31.6 | Very low | 242 Ų | 242 | 130.1 Ų | 130.1 | 91% | 0.913 | 68% | 0.681 | S | S | * | * | trans | -62.6 | 121.5 | 170.7 | -68.8 | 172.4 | 167.2 | -180 | -5.1 | 111.5 | ||||
| 1661 | Q | 24.2 | Very low | 30.9 | Very low | 187 Ų | 187 | 130.8 Ų | 130.8 | 87% | 0.874 | 68% | 0.684 | S | S | * | * | -174.4 | 163.2 | 128.3 | -102.9 | 164.1 | 10.2 | 0 | 0 | 112.2 | P1659 | P1659-Q1661 PolarHBondContact O-N 3.49Š| |||
| 1662 | S | 23.4 | Very low | 30.7 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | trans | 50.1 | 83.3 | 170 | 57.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1663 | Q | 24.2 | Very low | 30.5 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 50% | 0.495 | 67% | 0.665 | S | S | . | * | 51 | 139.2 | 124.5 | -76.7 | 173 | -99.7 | 0 | 0 | 123.9 | Y1601 | Y1601-Q1663 HydrophobicContact CE2-CG 4.39Š| |||
| 1664 | D | 22.3 | Very low | 30.6 | Very low | 123 Ų | 123 | 129 Ų | 129 | 66% | 0.658 | 67% | 0.665 | S | S | * | * | trans | 63.9 | 79.9 | 144 | -53.6 | -15.4 | 0 | 0 | 0 | 119.6 | ||||
| 1665 | I | 26 | Very low | 31 | Very low | 166 Ų | 166 | 125.5 Ų | 125.5 | 85% | 0.851 | 65% | 0.645 | S | S | * | * | -140 | 131.6 | 125.8 | -97.9 | 153.3 | 0 | 0 | 0 | 108.5 | G1667 | I1665-G1667 PolarHBondContact O-N 3.28Å; I1665-G1667 VanDerWaalsContact O-N 3.13Å | |||
| 1666 | T | 23.1 | Very low | 31.9 | Very low | 151 Ų | 151 | 121.3 Ų | 121.3 | 93% | 0.926 | 62% | 0.621 | S | S | * | * | trans | -75.3 | 98.8 | 175.1 | 47.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1667 | G | 25.5 | Very low | 32.9 | Very low | 44 Ų | 44 | 113.1 Ų | 113.1 | 45% | 0.454 | 60% | 0.599 | S | S | . | * | trans | -154.3 | 49.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1665 F1669 | I1665-G1667 PolarHBondContact O-N 3.28Å; I1665-G1667 VanDerWaalsContact O-N 3.13Å; G1667-F1669 PolarHBondContact O-N 2.79Å | ||
| 1668 | V | 26.9 | Very low | 34.2 | Very low | 134 Ų | 134 | 108.5 Ų | 108.5 | 81% | 0.812 | 58% | 0.575 | S | S | * | * | trans | -72.1 | 83.9 | 173.3 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | T1670 | V1668-T1670 PolarHBondContact O-N 3.11Š| ||
| 1669 | F | 28.3 | Very low | 35.6 | Very low | 139 Ų | 139 | 101.1 Ų | 101.1 | 61% | 0.61 | 54% | 0.536 | S | S | * | . | trans | -55.3 | 109.2 | 158.5 | -76.4 | -86.8 | 0 | 0 | 0 | 107.3 | G1667 Q1673 I1674 | G1667-F1669 PolarHBondContact O-N 2.79Å; F1669-Q1673 HydrophobicContact CD1-CB 4.2Å; F1669-I1674 HydrophobicContact CB-CD1 4.35Å; F1669-I1674 HydrophobicContact CB-CG1 4.18Å | ||
| 1670 | T | 37 | Very low | 36.9 | Very low | 72 Ų | 72 | 98.8 Ų | 98.8 | 44% | 0.442 | 52% | 0.518 | S | S | . | . | trans | -61.9 | 146.2 | 169.2 | 54.9 | 0 | 0 | 0 | 0 | 108.3 | V1668 N1672 Q1673 I1674 | V1668-T1670 PolarHBondContact O-N 3.11Å; T1670-N1672 PolarHBondContact O-N 2.84Å; T1670-Q1673 WeakPolarHBondContact O-CB 3.47Å; T1670-Q1673 PolarHBondContact O-N 3.41Å; T1670-I1674 PolarHBondContact O-N 3.29Å | ||
| 1671 | E | 39.7 | Very low | 38.3 | Very low | 113 Ų | 113 | 93.5 Ų | 93.5 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -54.8 | -30.8 | -177.5 | -61.5 | -179.7 | 155.3 | 0 | 0 | 111.4 | Q1673 I1674 F1675 | E1671-Q1673 PolarHBondContact O-N 2.57Å; E1671-I1674 PolarHBondContact O-N 3.09Å; E1671-F1675 PolarHBondContact O-N 3.27Å |
| 1672 | N | 41.8 | Very low | 39.4 | Very low | 47 Ų | 47 | 87 Ų | 87 | 25% | 0.251 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -55.4 | -44.4 | 170.4 | -62.3 | -13.5 | 0 | 0 | 0 | 113.6 | T1670 I1674 F1675 F1676 N1710 | T1670-N1672 PolarHBondContact O-N 2.84Å; N1672-I1674 VanDerWaalsContact C-N 3.35Å; N1672-F1675 PolarHBondContact O-N 3Å; N1672-F1676 WeakPolarHBondContact O-CD2 3.44Å; N1672-F1676 PolarHBondContact O-N 3.21Å; N1672-N1710 PolarHBondContact ND2-OD1 2.71Å |
| 1673 | Q | 45.1 | Very low | 40.9 | Very low | 97 Ų | 97 | 82.6 Ų | 82.6 | 45% | 0.453 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 177.5 | -75.5 | -176.4 | -10.3 | 0 | 0 | 111.9 | F1669 T1670 E1671 S1677 | F1669-Q1673 HydrophobicContact CD1-CB 4.2Å; T1670-Q1673 WeakPolarHBondContact O-CB 3.47Å; T1670-Q1673 PolarHBondContact O-N 3.41Å; E1671-Q1673 PolarHBondContact O-N 2.57Å; Q1673-S1677 WeakPolarHBondContact O-CB 3.46Å; Q1673-S1677 PolarHBondContact O-N 2.99Å; Q1673-S1677 PolarHBondContact O-OG 3.47Å |
| 1674 | I | 47.9 | Very low | 42.4 | Very low | 81 Ų | 81 | 80.8 Ų | 80.8 | 42% | 0.415 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 176.6 | -61.1 | 176.1 | 0 | 0 | 0 | 109.9 | F1669 T1670 E1671 N1672 S1677 L1678 | F1669-I1674 HydrophobicContact CB-CD1 4.35Å; F1669-I1674 HydrophobicContact CB-CG1 4.18Å; T1670-I1674 PolarHBondContact O-N 3.29Å; E1671-I1674 PolarHBondContact O-N 3.09Å; N1672-I1674 VanDerWaalsContact C-N 3.35Å; I1674-S1677 PolarHBondContact O-N 3.01Å; I1674-L1678 HydrophobicContact CG2-CD1 4.31Å; I1674-L1678 WeakPolarHBondContact O-CB 3.11Å; I1674-L1678 PolarHBondContact O-N 3.33Å |
| 1675 | F | 48.7 | Very low | 43.7 | Very low | 38 Ų | 38 | 76.9 Ų | 76.9 | 17% | 0.167 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.4 | -51.1 | 175.6 | 177.1 | -103.3 | 0 | 0 | 0 | 112.8 | F1618 E1671 N1672 S1677 L1678 L1679 L1706 | F1618-F1675 HydrophobicContact CD2-CD2 4.06Å; F1618-F1675 AromaticContact CD2-CE2 3.9Å; F1618-F1675 HydrophobicContact CD2-CE2 3.9Å; F1618-F1675 AromaticContact CE2-CD2 3.84Å; F1618-F1675 HydrophobicContact CE2-CD2 3.84Å; F1618-F1675 AromaticContact CE2-CE2 3.72Å; F1618-F1675 HydrophobicContact CE2-CE2 3.72Å; E1671-F1675 PolarHBondContact O-N 3.27Å; N1672-F1675 PolarHBondContact O-N 3Å; F1675-S1677 VanDerWaalsContact C-N 3.32Å; F1675-S1677 PolarHBondContact O-N 3.19Å; F1675-L1678 PolarHBondContact O-N 3.31Å; F1675-L1679 HydrophobicContact CE1-CD1 4.28Å; F1675-L1679 HydrophobicContact CZ-CD1 4.09Å; F1675-L1679 WeakPolarHBondContact O-CB 3.43Å; F1675-L1679 PolarHBondContact O-N 2.67Å; F1675-L1706 HydrophobicContact CE1-CB 4.47Å; F1675-L1706 HydrophobicContact CE1-CD1 3.92Å; F1675-L1706 HydrophobicContact CE1-CD2 4.43Å; F1675-L1706 HydrophobicContact CZ-CD1 3.79Å |
| 1676 | F | 52.3 | Low | 44.8 | Very low | 28 Ų | 28 | 71 Ų | 71 | 12% | 0.123 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.4 | -29.4 | 178 | -73.8 | -62.3 | 0 | 0 | 0 | 112.9 | N1672 L1679 N1680 L1706 L1707 | N1672-F1676 WeakPolarHBondContact O-CD2 3.44Å; N1672-F1676 PolarHBondContact O-N 3.21Å; F1676-L1679 PolarHBondContact O-N 2.93Å; F1676-N1680 VanDerWaalsContact O-CB 3.29Å; F1676-N1680 WeakPolarHBondContact O-CB 3.44Å; F1676-N1680 VanDerWaalsContact O-CG 3.23Å; F1676-N1680 PolarHBondContact O-N 3.26Å; F1676-N1680 PolarHBondContact O-ND2 3.4Å; F1676-L1706 HydrophobicContact CE1-CB 4.08Å; F1676-L1706 HydrophobicContact CZ-CB 4.2Å; F1676-L1707 HydrophobicContact CD1-CD2 4.09Å; F1676-L1707 HydrophobicContact CD1-CG 4.32Å; F1676-L1707 HydrophobicContact CD2-CD2 4.23Å; F1676-L1707 HydrophobicContact CE1-CD2 3.68Å; F1676-L1707 HydrophobicContact CE1-CG 3.66Å; F1676-L1707 HydrophobicContact CE2-CD2 3.84Å; F1676-L1707 HydrophobicContact CG-CD2 4.36Å; F1676-L1707 HydrophobicContact CZ-CB 4.48Å; F1676-L1707 HydrophobicContact CZ-CD2 3.55Å; F1676-L1707 HydrophobicContact CZ-CG 3.83Å |
| 1677 | S | 49.3 | Very low | 46.2 | Very low | 62 Ų | 62 | 71.4 Ų | 71.4 | 43% | 0.434 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.5 | -43.9 | 172.6 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | Q1673 I1674 F1675 L1679 N1680 L1681 | Q1673-S1677 WeakPolarHBondContact O-CB 3.46Å; Q1673-S1677 PolarHBondContact O-N 2.99Å; Q1673-S1677 PolarHBondContact O-OG 3.47Å; I1674-S1677 PolarHBondContact O-N 3.01Å; F1675-S1677 VanDerWaalsContact C-N 3.32Å; F1675-S1677 PolarHBondContact O-N 3.19Å; S1677-L1679 PolarHBondContact O-N 3.29Å; S1677-N1680 PolarHBondContact O-N 2.92Å; S1677-L1681 WeakPolarHBondContact O-CB 3.26Å; S1677-L1681 PolarHBondContact O-N 3.47Å |
| 1678 | L | 52.1 | Low | 47.2 | Very low | 61 Ų | 61 | 72.5 Ų | 72.5 | 32% | 0.319 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 172.3 | -98.2 | 156.9 | 0 | 0 | 0 | 112 | I1674 F1675 L1681 M1682 | I1674-L1678 HydrophobicContact CG2-CD1 4.31Å; I1674-L1678 WeakPolarHBondContact O-CB 3.11Å; I1674-L1678 PolarHBondContact O-N 3.33Å; F1675-L1678 PolarHBondContact O-N 3.31Å; L1678-L1681 WeakPolarHBondContact O-CB 2.98Å; L1678-L1681 PolarHBondContact O-N 3.46Å; L1678-M1682 WeakPolarHBondContact O-CG 3.14Å; L1678-M1682 PolarHBondContact O-N 2.97Å |
| 1679 | L | 57.2 | Low | 48.1 | Very low | 14 Ų | 14 | 71 Ų | 71 | 7% | 0.073 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69.8 | -38.4 | -179.2 | -160.7 | 152.4 | 0 | 0 | 0 | 111.9 | F1675 F1676 S1677 M1682 L1683 R1703 L1706 | F1675-L1679 HydrophobicContact CE1-CD1 4.28Å; F1675-L1679 HydrophobicContact CZ-CD1 4.09Å; F1675-L1679 WeakPolarHBondContact O-CB 3.43Å; F1675-L1679 PolarHBondContact O-N 2.67Å; F1676-L1679 PolarHBondContact O-N 2.93Å; S1677-L1679 PolarHBondContact O-N 3.29Å; L1679-M1682 PolarHBondContact O-N 3.5Å; L1679-L1683 HydrophobicContact CD2-CD1 3.91Å; L1679-L1683 HydrophobicContact CD2-CG 4.45Å; L1679-L1683 PolarHBondContact O-N 3.39Å; L1679-R1703 HydrophobicContact CD2-CB 3.68Å; L1679-R1703 HydrophobicContact CD2-CG 3.98Å; L1679-L1706 HydrophobicContact CD1-CD1 4.3Å |
| 1680 | N | 54.9 | Low | 48.7 | Very low | 66 Ų | 66 | 69.2 Ų | 69.2 | 35% | 0.353 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.9 | -34.5 | 171 | -73.8 | -30.3 | 0 | 0 | 0 | 112.2 | F1676 S1677 M1682 L1683 A1684 R1703 | F1676-N1680 VanDerWaalsContact O-CB 3.29Å; F1676-N1680 WeakPolarHBondContact O-CB 3.44Å; F1676-N1680 VanDerWaalsContact O-CG 3.23Å; F1676-N1680 PolarHBondContact O-N 3.26Å; F1676-N1680 PolarHBondContact O-ND2 3.4Å; S1677-N1680 PolarHBondContact O-N 2.92Å; N1680-M1682 VanDerWaalsContact C-N 3.35Å; N1680-L1683 PolarHBondContact O-N 3.2Å; N1680-A1684 WeakPolarHBondContact O-CB 3.39Å; N1680-A1684 PolarHBondContact O-N 3.05Å; N1680-R1703 PolarHBondContact OD1-NH1 2.81Å |
| 1681 | L | 54.1 | Low | 49.2 | Very low | 131 Ų | 131 | 75.3 Ų | 75.3 | 69% | 0.686 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.8 | -40.7 | 172.7 | -128.5 | 77.9 | 0 | 0 | 0 | 111.6 | S1677 L1678 G1685 | S1677-L1681 WeakPolarHBondContact O-CB 3.26Å; S1677-L1681 PolarHBondContact O-N 3.47Å; L1678-L1681 WeakPolarHBondContact O-CB 2.98Å; L1678-L1681 PolarHBondContact O-N 3.46Å; L1681-G1685 PolarHBondContact O-N 3.24Å |
| 1682 | M | 47.9 | Very low | 49.6 | Very low | 49 Ų | 49 | 72.8 Ų | 72.8 | 24% | 0.241 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 174.8 | -67.5 | -159.5 | -49.7 | 0 | 0 | 112.3 | L1645 L1678 L1679 N1680 G1685 L1686 | L1645-M1682 HydrophobicContact CD1-CE 3.47Å; L1645-M1682 VanDerWaalsContact CD1-CE 3.47Å; L1645-M1682 HydrophobicContact CD1-SD 3.73Å; L1645-M1682 HydrophobicContact CG-SD 4.34Å; L1678-M1682 WeakPolarHBondContact O-CG 3.14Å; L1678-M1682 PolarHBondContact O-N 2.97Å; L1679-M1682 PolarHBondContact O-N 3.5Å; N1680-M1682 VanDerWaalsContact C-N 3.35Å; M1682-G1685 PolarHBondContact O-N 3.2Å; M1682-L1686 WeakPolarHBondContact O-CB 3.23Å; M1682-L1686 WeakPolarHBondContact O-CG 3.24Å; M1682-L1686 PolarHBondContact O-N 2.85Å |
| 1683 | L | 54.5 | Low | 50.1 | Low | 13 Ų | 13 | 74.1 Ų | 74.1 | 7% | 0.068 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 174.3 | -80.1 | 166.3 | 0 | 0 | 0 | 111 | L1679 N1680 G1685 L1686 Y1687 L1699 I1700 | L1679-L1683 HydrophobicContact CD2-CD1 3.91Å; L1679-L1683 HydrophobicContact CD2-CG 4.45Å; L1679-L1683 PolarHBondContact O-N 3.39Å; N1680-L1683 PolarHBondContact O-N 3.2Å; L1683-G1685 PolarHBondContact O-N 3.06Å; L1683-L1686 PolarHBondContact O-N 2.88Å; L1683-Y1687 WeakPolarHBondContact O-CD2 3.11Å; L1683-Y1687 PolarHBondContact O-N 3.32Å; L1683-L1699 HydrophobicContact CD2-CB 3.69Å; L1683-L1699 HydrophobicContact CG-CB 4.46Å; L1683-I1700 HydrophobicContact CD2-CG1 3.97Å |
| 1684 | A | 56.8 | Low | 50.3 | Low | 68 Ų | 68 | 73 Ų | 73 | 56% | 0.562 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.4 | -42.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1680 L1686 G1688 | N1680-A1684 WeakPolarHBondContact O-CB 3.39Å; N1680-A1684 PolarHBondContact O-N 3.05Å; A1684-L1686 PolarHBondContact O-N 2.84Å; A1684-G1688 PolarHBondContact O-N 3.43Å |
| 1685 | G | 49.7 | Very low | 50.3 | Low | 41 Ų | 41 | 70.5 Ų | 70.5 | 42% | 0.423 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.1 | -34.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | L1681 M1682 L1683 T1689 | L1681-G1685 PolarHBondContact O-N 3.24Å; M1682-G1685 PolarHBondContact O-N 3.2Å; L1683-G1685 PolarHBondContact O-N 3.06Å; G1685-T1689 WeakPolarHBondContact O-CG2 3.38Å; G1685-T1689 PolarHBondContact O-OG1 3.21Å |
| 1686 | L | 48.1 | Very low | 50.6 | Low | 43 Ų | 43 | 69.6 Ų | 69.6 | 23% | 0.225 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -78.1 | -38.4 | 178.5 | -76.1 | 165.2 | 0 | 0 | 0 | 112.7 | M1682 L1683 A1684 G1688 T1689 Q1690 L1699 | M1682-L1686 WeakPolarHBondContact O-CB 3.23Å; M1682-L1686 WeakPolarHBondContact O-CG 3.24Å; M1682-L1686 PolarHBondContact O-N 2.85Å; L1683-L1686 PolarHBondContact O-N 2.88Å; A1684-L1686 PolarHBondContact O-N 2.84Å; L1686-G1688 PolarHBondContact O-N 3.39Å; L1686-T1689 PolarHBondContact O-N 2.91Å; L1686-T1689 VanDerWaalsContact O-N 3.09Å; L1686-Q1690 PolarHBondContact O-N 3.32Å; L1686-L1699 HydrophobicContact CD1-CD1 3.23Å |
| 1687 | Y | 52.8 | Low | 50.6 | Low | 158 Ų | 158 | 72 Ų | 72 | 62% | 0.62 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -55.2 | -33.2 | 171.2 | -100.3 | -82.2 | 0 | 0 | 0 | 112.6 | L1683 I1696 | L1683-Y1687 WeakPolarHBondContact O-CD2 3.11Å; L1683-Y1687 PolarHBondContact O-N 3.32Å; Y1687-I1696 HydrophobicContact CD1-CD1 4.49Å; Y1687-I1696 HydrophobicContact CD2-CD1 4.43Å; Y1687-I1696 HydrophobicContact CD2-CG2 4.32Å; Y1687-I1696 HydrophobicContact CE2-CG2 3.59Å; Y1687-I1696 HydrophobicContact CG-CD1 4.43Å |
| 1688 | G | 46.1 | Very low | 50.7 | Low | 67 Ų | 67 | 71.5 Ų | 71.5 | 69% | 0.691 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -1.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | A1684 L1686 | A1684-G1688 PolarHBondContact O-N 3.43Å; L1686-G1688 PolarHBondContact O-N 3.39Å |
| 1689 | T | 46.6 | Very low | 50.7 | Low | 103 Ų | 103 | 69.5 Ų | 69.5 | 63% | 0.632 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.5 | -30.5 | -169.9 | 50.7 | 0 | 0 | 0 | 0 | 117 | G1685 L1686 | G1685-T1689 WeakPolarHBondContact O-CG2 3.38Å; G1685-T1689 PolarHBondContact O-OG1 3.21Å; L1686-T1689 PolarHBondContact O-N 2.91Å; L1686-T1689 VanDerWaalsContact O-N 3.09Å |
| 1690 | Q | 39.5 | Very low | 50.7 | Low | 101 Ų | 101 | 71.5 Ų | 71.5 | 47% | 0.472 | 41% | 0.406 | S | S | . | . | trans | -149.4 | 133 | 173 | -71.3 | -167 | -17.8 | 0 | 0 | 112.8 | L1686 N1692 | L1686-Q1690 PolarHBondContact O-N 3.32Å; Q1690-N1692 PolarHBondContact O-N 2.76Å | ||
| 1691 | Q | 48.9 | Very low | 50.5 | Low | 201 Ų | 201 | 70 Ų | 70 | 94% | 0.939 | 40% | 0.397 | S | S | * | . | trans | -71.7 | 23.6 | 177 | -66.5 | -169.6 | -7.8 | 0 | 0 | 114.8 | S1693 | Q1691-S1693 PolarHBondContact O-N 3.35Š| ||
| 1692 | N | 48.2 | Very low | 50.5 | Low | 60 Ų | 60 | 65 Ų | 65 | 32% | 0.321 | 37% | 0.371 | S | S | . | . | trans | -82.8 | 81.3 | -174.9 | -151 | -26.4 | 0 | 0 | 0 | 111.2 | Q1690 T1694 I1695 | Q1690-N1692 PolarHBondContact O-N 2.76Å; N1692-T1694 PolarHBondContact O-N 3.1Å; N1692-T1694 PolarHBondContact OD1-OG1 3.29Å; N1692-I1695 HydrophobicContact CB-CD1 3.97Å; N1692-I1695 HydrophobicContact CB-CG1 4.24Å; N1692-I1695 PolarHBondContact O-N 3.14Å | ||
| 1693 | S | 51.8 | Low | 51 | Low | 74 Ų | 74 | 66.7 Ų | 66.7 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -52.2 | -28.4 | -172.3 | 62.3 | 0 | 0 | 0 | 0 | 114.5 | Q1691 I1696 N1697 | Q1691-S1693 PolarHBondContact O-N 3.35Å; S1693-I1696 PolarHBondContact O-N 3.42Å; S1693-N1697 WeakPolarHBondContact O-CB 3.12Å; S1693-N1697 VanDerWaalsContact O-CG 3.24Å; S1693-N1697 PolarHBondContact O-N 2.82Å; S1693-N1697 PolarHBondContact O-ND2 3.2Å |
| 1694 | T | 48.4 | Very low | 51 | Low | 75 Ų | 75 | 69.9 Ų | 69.9 | 46% | 0.46 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 175.3 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | N1692 I1698 | N1692-T1694 PolarHBondContact O-N 3.1Å; N1692-T1694 PolarHBondContact OD1-OG1 3.29Å; T1694-I1698 WeakPolarHBondContact O-CD1 3.2Å; T1694-I1698 VanDerWaalsContact O-CG1 3.28Å; T1694-I1698 WeakPolarHBondContact O-CG1 3.45Å; T1694-I1698 PolarHBondContact O-N 3.11Å; T1694-I1698 VanDerWaalsContact O-N 3.08Å |
| 1695 | I | 47.4 | Very low | 50.7 | Low | 28 Ų | 28 | 68.1 Ų | 68.1 | 14% | 0.144 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -70.2 | -43.9 | -178.6 | -50.7 | 177.3 | 0 | 0 | 0 | 110.2 | L1634 N1692 N1697 I1698 L1699 | L1634-I1695 HydrophobicContact CD1-CD1 3.75Å; L1634-I1695 HydrophobicContact CD1-CG1 3.94Å; L1634-I1695 HydrophobicContact CD2-CD1 3.92Å; L1634-I1695 HydrophobicContact CG-CD1 4.38Å; N1692-I1695 HydrophobicContact CB-CD1 3.97Å; N1692-I1695 HydrophobicContact CB-CG1 4.24Å; N1692-I1695 PolarHBondContact O-N 3.14Å; I1695-N1697 VanDerWaalsContact C-N 3.34Å; I1695-N1697 PolarHBondContact O-N 2.78Å; I1695-I1698 PolarHBondContact O-N 2.89Å; I1695-L1699 HydrophobicContact CG2-CD1 4.1Å; I1695-L1699 WeakPolarHBondContact O-CG 3.39Å; I1695-L1699 PolarHBondContact O-N 3.07Å |
| 1696 | I | 56.1 | Low | 50.7 | Low | 18 Ų | 18 | 68 Ų | 68 | 9% | 0.092 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 177.9 | -64.1 | 176.4 | 0 | 0 | 0 | 109.9 | Y1687 S1693 I1698 L1699 I1700 | Y1687-I1696 HydrophobicContact CD1-CD1 4.49Å; Y1687-I1696 HydrophobicContact CD2-CD1 4.43Å; Y1687-I1696 HydrophobicContact CD2-CG2 4.32Å; Y1687-I1696 HydrophobicContact CE2-CG2 3.59Å; Y1687-I1696 HydrophobicContact CG-CD1 4.43Å; S1693-I1696 PolarHBondContact O-N 3.42Å; I1696-I1698 PolarHBondContact O-N 2.77Å; I1696-L1699 PolarHBondContact O-N 2.54Å; I1696-I1700 HydrophobicContact CG2-CD1 3.76Å; I1696-I1700 HydrophobicContact CG2-CG1 4.45Å; I1696-I1700 VanDerWaalsContact O-CG1 3.32Å; I1696-I1700 WeakPolarHBondContact O-CG1 3.19Å; I1696-I1700 PolarHBondContact O-N 3.41Å |
| 1697 | N | 52.9 | Low | 50.9 | Low | 79 Ų | 79 | 68.7 Ų | 68.7 | 42% | 0.422 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 177.2 | -73.9 | -28.1 | 0 | 0 | 0 | 112.9 | S1693 I1695 L1699 I1700 E1701 | S1693-N1697 WeakPolarHBondContact O-CB 3.12Å; S1693-N1697 VanDerWaalsContact O-CG 3.24Å; S1693-N1697 PolarHBondContact O-N 2.82Å; S1693-N1697 PolarHBondContact O-ND2 3.2Å; I1695-N1697 VanDerWaalsContact C-N 3.34Å; I1695-N1697 PolarHBondContact O-N 2.78Å; N1697-L1699 VanDerWaalsContact C-N 3.34Å; N1697-L1699 PolarHBondContact O-N 2.71Å; N1697-I1700 PolarHBondContact O-N 3.35Å; N1697-E1701 WeakPolarHBondContact O-CB 3.36Å; N1697-E1701 WeakPolarHBondContact O-CG 3.17Å; N1697-E1701 PolarHBondContact O-N 3.17Å |
| 1698 | I | 50.3 | Low | 50.7 | Low | 52 Ų | 52 | 65.7 Ų | 65.7 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 176.2 | -70.2 | 164.3 | 0 | 0 | 0 | 111.5 | F1629 T1694 I1695 I1696 T1702 | F1629-I1698 HydrophobicContact CZ-CG2 4.15Å; T1694-I1698 WeakPolarHBondContact O-CD1 3.2Å; T1694-I1698 VanDerWaalsContact O-CG1 3.28Å; T1694-I1698 WeakPolarHBondContact O-CG1 3.45Å; T1694-I1698 PolarHBondContact O-N 3.11Å; T1694-I1698 VanDerWaalsContact O-N 3.08Å; I1695-I1698 PolarHBondContact O-N 2.89Å; I1696-I1698 PolarHBondContact O-N 2.77Å; I1698-T1702 WeakPolarHBondContact O-CB 3.49Å; I1698-T1702 WeakPolarHBondContact O-CG2 3.32Å; I1698-T1702 PolarHBondContact O-N 2.71Å; I1698-T1702 PolarHBondContact O-OG1 3.46Å |
| 1699 | L | 52.4 | Low | 50.6 | Low | 19 Ų | 19 | 64.5 Ų | 64.5 | 10% | 0.099 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -73.8 | -33.1 | 177.1 | -73.2 | 169.2 | 0 | 0 | 0 | 112.9 | L1683 L1686 I1695 I1696 N1697 T1702 R1703 | L1683-L1699 HydrophobicContact CD2-CB 3.69Å; L1683-L1699 HydrophobicContact CG-CB 4.46Å; L1686-L1699 HydrophobicContact CD1-CD1 3.23Å; I1695-L1699 HydrophobicContact CG2-CD1 4.1Å; I1695-L1699 WeakPolarHBondContact O-CG 3.39Å; I1695-L1699 PolarHBondContact O-N 3.07Å; I1696-L1699 PolarHBondContact O-N 2.54Å; N1697-L1699 VanDerWaalsContact C-N 3.34Å; N1697-L1699 PolarHBondContact O-N 2.71Å; L1699-T1702 WeakPolarHBondContact CA-OG1 3.36Å; L1699-T1702 PolarHBondContact O-OG1 3.17Å; L1699-R1703 VanDerWaalsContact O-CB 3.26Å; L1699-R1703 WeakPolarHBondContact O-CB 3.11Å; L1699-R1703 PolarHBondContact O-N 3.35Å |
| 1700 | I | 58.3 | Low | 50.7 | Low | 55 Ų | 55 | 61.5 Ų | 61.5 | 28% | 0.282 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.3 | -41.8 | 171.4 | -69.1 | 169.8 | 0 | 0 | 0 | 110.6 | L1683 I1696 N1697 R1703 N1704 | L1683-I1700 HydrophobicContact CD2-CG1 3.97Å; I1696-I1700 HydrophobicContact CG2-CD1 3.76Å; I1696-I1700 HydrophobicContact CG2-CG1 4.45Å; I1696-I1700 VanDerWaalsContact O-CG1 3.32Å; I1696-I1700 WeakPolarHBondContact O-CG1 3.19Å; I1696-I1700 PolarHBondContact O-N 3.41Å; N1697-I1700 PolarHBondContact O-N 3.35Å; I1700-R1703 WeakPolarHBondContact O-CB 3.41Å; I1700-R1703 PolarHBondContact O-N 3.46Å; I1700-N1704 WeakPolarHBondContact O-CB 3.29Å; I1700-N1704 PolarHBondContact O-N 3.01Å; I1700-N1704 PolarHBondContact O-ND2 2.86Å; I1700-N1704 PolarHBondContact O-OD1 3Å |
| 1701 | E | 50.9 | Low | 50.9 | Low | 35 Ų | 35 | 61.1 Ų | 61.1 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 176.6 | -78.3 | 178.6 | 153.2 | 0 | 0 | 112.4 | N1697 R1703 N1704 I1705 Q1771 R1775 | N1697-E1701 WeakPolarHBondContact O-CB 3.36Å; N1697-E1701 WeakPolarHBondContact O-CG 3.17Å; N1697-E1701 PolarHBondContact O-N 3.17Å; E1701-R1703 PolarHBondContact O-N 3.48Å; E1701-N1704 PolarHBondContact O-N 3.35Å; E1701-I1705 WeakPolarHBondContact O-CB 3.04Å; E1701-I1705 VanDerWaalsContact O-CG1 3.3Å; E1701-I1705 WeakPolarHBondContact O-CG1 3.19Å; E1701-I1705 PolarHBondContact O-N 3.12Å; E1701-Q1771 PolarHBondContact OE1-NE2 2.86Å; E1701-Q1771 PolarHBondContact OE1-OE1 3.11Å; E1701-R1775 IonicContact OE1-CZ 3.41Å; E1701-R1775 IonicContact OE1-NE 3.72Å; E1701-R1775 IonicContact OE1-NH2 2.64Å; E1701-R1775 PolarHBondContact OE1-NH2 3.34Å; E1701-R1775 IonicContact OE2-CZ 3.61Å; E1701-R1775 IonicContact OE2-NH1 3.99Å; E1701-R1775 IonicContact OE2-NH2 2.7Å; E1701-R1775 PolarHBondContact OE2-NH2 3.47Å |
| 1702 | T | 53 | Low | 50.5 | Low | 25 Ų | 25 | 55.4 Ų | 55.4 | 15% | 0.153 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.3 | -36.5 | 176.7 | 48.4 | 0 | 0 | 0 | 0 | 112.1 | L1625 I1698 L1699 L1706 | L1625-T1702 HydrophobicContact CD2-CG2 4.05Å; I1698-T1702 WeakPolarHBondContact O-CB 3.49Å; I1698-T1702 WeakPolarHBondContact O-CG2 3.32Å; I1698-T1702 PolarHBondContact O-N 2.71Å; I1698-T1702 PolarHBondContact O-OG1 3.46Å; L1699-T1702 WeakPolarHBondContact CA-OG1 3.36Å; L1699-T1702 PolarHBondContact O-OG1 3.17Å; T1702-L1706 WeakPolarHBondContact O-CB 3.23Å; T1702-L1706 WeakPolarHBondContact O-CD1 3.2Å; T1702-L1706 WeakPolarHBondContact O-CG 3.17Å; T1702-L1706 PolarHBondContact O-N 2.5Å |
| 1703 | R | 59.1 | Low | 50 | Low | 86 Ų | 86 | 56.6 Ų | 56.6 | 33% | 0.325 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.7 | -50.1 | 168.1 | -180 | -177.3 | 132.1 | 170.4 | -8.8 | 111.8 | L1679 N1680 L1699 I1700 E1701 L1706 L1707 | L1679-R1703 HydrophobicContact CD2-CB 3.68Å; L1679-R1703 HydrophobicContact CD2-CG 3.98Å; N1680-R1703 PolarHBondContact OD1-NH1 2.81Å; L1699-R1703 VanDerWaalsContact O-CB 3.26Å; L1699-R1703 WeakPolarHBondContact O-CB 3.11Å; L1699-R1703 PolarHBondContact O-N 3.35Å; I1700-R1703 WeakPolarHBondContact O-CB 3.41Å; I1700-R1703 PolarHBondContact O-N 3.46Å; E1701-R1703 PolarHBondContact O-N 3.48Å; R1703-L1706 PolarHBondContact O-N 2.7Å; R1703-L1707 HydrophobicContact CG-CD1 4.03Å; R1703-L1707 WeakPolarHBondContact O-CG 3.17Å; R1703-L1707 PolarHBondContact O-N 2.89Å |
| 1704 | N | 53.1 | Low | 49.3 | Very low | 80 Ų | 80 | 57.6 Ų | 57.6 | 43% | 0.428 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.9 | -41.8 | -175.1 | -68.1 | -13 | 0 | 0 | 0 | 111.7 | I1700 E1701 L1706 L1707 E1708 | I1700-N1704 WeakPolarHBondContact O-CB 3.29Å; I1700-N1704 PolarHBondContact O-N 3.01Å; I1700-N1704 PolarHBondContact O-ND2 2.86Å; I1700-N1704 PolarHBondContact O-OD1 3Å; E1701-N1704 PolarHBondContact O-N 3.35Å; N1704-L1706 VanDerWaalsContact C-N 3.31Å; N1704-L1706 PolarHBondContact O-N 3.34Å; N1704-L1707 PolarHBondContact O-N 3.04Å; N1704-E1708 WeakPolarHBondContact O-CB 3.41Å; N1704-E1708 PolarHBondContact O-N 2.94Å |
| 1705 | I | 50.8 | Low | 48.7 | Very low | 31 Ų | 31 | 60.3 Ų | 60.3 | 16% | 0.159 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59 | -41.6 | 172.6 | -71.8 | 165.6 | 0 | 0 | 0 | 111.2 | E1701 E1708 L1709 L1764 L1768 | E1701-I1705 WeakPolarHBondContact O-CB 3.04Å; E1701-I1705 VanDerWaalsContact O-CG1 3.3Å; E1701-I1705 WeakPolarHBondContact O-CG1 3.19Å; E1701-I1705 PolarHBondContact O-N 3.12Å; I1705-E1708 PolarHBondContact O-N 3.47Å; I1705-L1709 HydrophobicContact CG2-CD1 3.98Å; I1705-L1709 HydrophobicContact CG2-CG 4.5Å; I1705-L1709 WeakPolarHBondContact O-CB 3.32Å; I1705-L1709 VanDerWaalsContact O-CG 3.29Å; I1705-L1709 WeakPolarHBondContact O-CG 3.46Å; I1705-L1709 PolarHBondContact O-N 2.8Å; I1705-L1764 HydrophobicContact CB-CD2 4.4Å; I1705-L1764 HydrophobicContact CD1-CD2 3.94Å; I1705-L1764 HydrophobicContact CG1-CD2 3.89Å; I1705-L1764 HydrophobicContact CG2-CD1 4.04Å; I1705-L1764 HydrophobicContact CG2-CD2 3.66Å; I1705-L1764 HydrophobicContact CG2-CG 4.47Å; I1705-L1768 HydrophobicContact CD1-CD2 4.4Å |
| 1706 | L | 49.9 | Very low | 48 | Very low | 38 Ų | 38 | 63.2 Ų | 63.2 | 20% | 0.199 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.8 | -34.8 | 178.3 | -77.4 | 159.9 | 0 | 0 | 0 | 112.8 | F1675 F1676 L1679 T1702 R1703 N1704 N1710 | F1675-L1706 HydrophobicContact CE1-CB 4.47Å; F1675-L1706 HydrophobicContact CE1-CD1 3.92Å; F1675-L1706 HydrophobicContact CE1-CD2 4.43Å; F1675-L1706 HydrophobicContact CZ-CD1 3.79Å; F1676-L1706 HydrophobicContact CE1-CB 4.08Å; F1676-L1706 HydrophobicContact CZ-CB 4.2Å; L1679-L1706 HydrophobicContact CD1-CD1 4.3Å; T1702-L1706 WeakPolarHBondContact O-CB 3.23Å; T1702-L1706 WeakPolarHBondContact O-CD1 3.2Å; T1702-L1706 WeakPolarHBondContact O-CG 3.17Å; T1702-L1706 PolarHBondContact O-N 2.5Å; R1703-L1706 PolarHBondContact O-N 2.7Å; N1704-L1706 VanDerWaalsContact C-N 3.31Å; N1704-L1706 PolarHBondContact O-N 3.34Å; L1706-N1710 VanDerWaalsContact O-CB 3.32Å; L1706-N1710 WeakPolarHBondContact O-CB 3.32Å; L1706-N1710 PolarHBondContact O-N 3.43Å |
| 1707 | L | 52.5 | Low | 46.7 | Very low | 57 Ų | 57 | 68.2 Ų | 68.2 | 30% | 0.298 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 171.5 | -74.5 | 166.3 | 0 | 0 | 0 | 111.5 | F1676 R1703 N1704 N1710 N1711 | F1676-L1707 HydrophobicContact CD1-CD2 4.09Å; F1676-L1707 HydrophobicContact CD1-CG 4.32Å; F1676-L1707 HydrophobicContact CD2-CD2 4.23Å; F1676-L1707 HydrophobicContact CE1-CD2 3.68Å; F1676-L1707 HydrophobicContact CE1-CG 3.66Å; F1676-L1707 HydrophobicContact CE2-CD2 3.84Å; F1676-L1707 HydrophobicContact CG-CD2 4.36Å; F1676-L1707 HydrophobicContact CZ-CB 4.48Å; F1676-L1707 HydrophobicContact CZ-CD2 3.55Å; F1676-L1707 HydrophobicContact CZ-CG 3.83Å; R1703-L1707 HydrophobicContact CG-CD1 4.03Å; R1703-L1707 WeakPolarHBondContact O-CG 3.17Å; R1703-L1707 PolarHBondContact O-N 2.89Å; N1704-L1707 PolarHBondContact O-N 3.04Å; L1707-N1710 PolarHBondContact O-N 3.02Å; L1707-N1711 VanDerWaalsContact O-CG 3.26Å; L1707-N1711 PolarHBondContact O-N 3.34Å |
| 1708 | E | 47.8 | Very low | 45.6 | Very low | 96 Ų | 96 | 70.4 Ų | 70.4 | 45% | 0.449 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 178.9 | -167.8 | 171.3 | -124.5 | 0 | 0 | 111.8 | N1704 I1705 N1710 N1711 L1712 | N1704-E1708 WeakPolarHBondContact O-CB 3.41Å; N1704-E1708 PolarHBondContact O-N 2.94Å; I1705-E1708 PolarHBondContact O-N 3.47Å; E1708-N1710 VanDerWaalsContact C-N 3.34Å; E1708-N1710 PolarHBondContact O-N 3.45Å; E1708-N1711 PolarHBondContact O-N 3.29Å; E1708-L1712 WeakPolarHBondContact O-CG 3.49Å; E1708-L1712 PolarHBondContact O-N 3.41Å |
| 1709 | L | 45.2 | Very low | 44.5 | Very low | 42 Ų | 42 | 73.1 Ų | 73.1 | 22% | 0.22 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 171.9 | -75.7 | 172 | 0 | 0 | 0 | 112.8 | I1705 L1712 F1713 L1760 L1764 | I1705-L1709 HydrophobicContact CG2-CD1 3.98Å; I1705-L1709 HydrophobicContact CG2-CG 4.5Å; I1705-L1709 WeakPolarHBondContact O-CB 3.32Å; I1705-L1709 VanDerWaalsContact O-CG 3.29Å; I1705-L1709 WeakPolarHBondContact O-CG 3.46Å; I1705-L1709 PolarHBondContact O-N 2.8Å; L1709-L1712 PolarHBondContact O-N 3.38Å; L1709-F1713 PolarHBondContact O-N 3.32Å; L1709-L1760 HydrophobicContact CD2-CD1 4.35Å; L1709-L1760 HydrophobicContact CD2-CD2 4.08Å; L1709-L1764 HydrophobicContact CD1-CD1 4.2Å; L1709-L1764 HydrophobicContact CD2-CD1 4.42Å |
| 1710 | N | 47.4 | Very low | 43.2 | Very low | 39 Ų | 39 | 78.5 Ų | 78.5 | 21% | 0.209 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67 | -43.6 | 176.9 | -171.8 | 80.3 | 0 | 0 | 0 | 111.5 | N1672 L1706 L1707 E1708 L1712 F1713 E1714 | N1672-N1710 PolarHBondContact ND2-OD1 2.71Å; L1706-N1710 VanDerWaalsContact O-CB 3.32Å; L1706-N1710 WeakPolarHBondContact O-CB 3.32Å; L1706-N1710 PolarHBondContact O-N 3.43Å; L1707-N1710 PolarHBondContact O-N 3.02Å; E1708-N1710 VanDerWaalsContact C-N 3.34Å; E1708-N1710 PolarHBondContact O-N 3.45Å; N1710-L1712 VanDerWaalsContact C-N 3.31Å; N1710-L1712 PolarHBondContact O-N 3.08Å; N1710-F1713 PolarHBondContact O-N 3.34Å; N1710-F1713 VanDerWaalsContact O-N 3.1Å; N1710-E1714 PolarHBondContact O-N 3.27Å |
| 1711 | N | 44.8 | Very low | 41.6 | Very low | 93 Ų | 93 | 81.7 Ų | 81.7 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 175.4 | -67.7 | -12.2 | 0 | 0 | 0 | 111.9 | L1707 E1708 F1713 N1715 | L1707-N1711 VanDerWaalsContact O-CG 3.26Å; L1707-N1711 PolarHBondContact O-N 3.34Å; E1708-N1711 PolarHBondContact O-N 3.29Å; N1711-F1713 VanDerWaalsContact C-N 3.34Å; N1711-N1715 WeakPolarHBondContact O-CB 3.49Å; N1711-N1715 VanDerWaalsContact O-CG 3.22Å; N1711-N1715 PolarHBondContact O-N 2.8Å; N1711-N1715 VanDerWaalsContact O-N 3.1Å; N1711-N1715 PolarHBondContact O-ND2 2.81Å; N1711-N1715 VanDerWaalsContact O-ND2 3.17Å |
| 1712 | L | 40.2 | Very low | 40.3 | Very low | 81 Ų | 81 | 85.4 Ų | 85.4 | 42% | 0.424 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65 | -35.3 | 172.1 | -74.1 | 166.5 | 0 | 0 | 0 | 112.3 | E1708 L1709 N1710 C1716 L1760 | E1708-L1712 WeakPolarHBondContact O-CG 3.49Å; E1708-L1712 PolarHBondContact O-N 3.41Å; L1709-L1712 PolarHBondContact O-N 3.38Å; N1710-L1712 VanDerWaalsContact C-N 3.31Å; N1710-L1712 PolarHBondContact O-N 3.08Å; L1712-C1716 PolarHBondContact O-N 3.01Å; L1712-C1716 VanDerWaalsContact O-N 3.16Å; L1712-C1716 PolarHBondContact O-SG 3.08Å; L1712-L1760 HydrophobicContact CD1-CD2 4.08Å |
| 1713 | F | 36.9 | Very low | 39.1 | Very low | 85 Ų | 85 | 90.7 Ų | 90.7 | 37% | 0.373 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71 | -43.3 | 176.1 | -105.9 | -84.8 | 0 | 0 | 0 | 113.4 | L1617 L1709 N1710 N1711 N1715 C1716 L1717 | L1617-F1713 HydrophobicContact CD1-CE2 3.93Å; L1617-F1713 HydrophobicContact CD1-CZ 3.91Å; L1709-F1713 PolarHBondContact O-N 3.32Å; N1710-F1713 PolarHBondContact O-N 3.34Å; N1710-F1713 VanDerWaalsContact O-N 3.1Å; N1711-F1713 VanDerWaalsContact C-N 3.34Å; F1713-N1715 VanDerWaalsContact C-N 3.31Å; F1713-N1715 PolarHBondContact O-N 3.36Å; F1713-C1716 PolarHBondContact O-N 3.02Å; F1713-C1716 VanDerWaalsContact O-N 3.1Å; F1713-L1717 PolarHBondContact O-N 3.41Å |
| 1714 | E | 38 | Very low | 37.6 | Very low | 96 Ų | 96 | 93.3 Ų | 93.3 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.4 | -45.8 | 172 | -72.6 | -71.4 | 156.7 | 0 | 0 | 111.1 | N1710 C1716 L1717 | N1710-E1714 PolarHBondContact O-N 3.27Å; E1714-C1716 PolarHBondContact O-N 3.45Å; E1714-L1717 PolarHBondContact O-N 3.18Å; E1714-L1717 VanDerWaalsContact O-N 3.13Å |
| 1715 | N | 36.2 | Very low | 36.3 | Very low | 131 Ų | 131 | 96.3 Ų | 96.3 | 70% | 0.701 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66 | -21.4 | 177.1 | -72.2 | -24.4 | 0 | 0 | 0 | 113.7 | N1711 F1713 | N1711-N1715 WeakPolarHBondContact O-CB 3.49Å; N1711-N1715 VanDerWaalsContact O-CG 3.22Å; N1711-N1715 PolarHBondContact O-N 2.8Å; N1711-N1715 VanDerWaalsContact O-N 3.1Å; N1711-N1715 PolarHBondContact O-ND2 2.81Å; N1711-N1715 VanDerWaalsContact O-ND2 3.17Å; F1713-N1715 VanDerWaalsContact C-N 3.31Å; F1713-N1715 PolarHBondContact O-N 3.36Å |
| 1716 | C | 32.1 | Very low | 35.1 | Very low | 89 Ų | 89 | 99.5 Ų | 99.5 | 60% | 0.601 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -89.7 | -7.6 | 174.6 | -72.1 | 0 | 0 | 0 | 0 | 114.2 | L1712 F1713 E1714 | L1712-C1716 PolarHBondContact O-N 3.01Å; L1712-C1716 VanDerWaalsContact O-N 3.16Å; L1712-C1716 PolarHBondContact O-SG 3.08Å; F1713-C1716 PolarHBondContact O-N 3.02Å; F1713-C1716 VanDerWaalsContact O-N 3.1Å; E1714-C1716 PolarHBondContact O-N 3.45Å |
| 1717 | L | 30.2 | Very low | 33.9 | Very low | 123 Ų | 123 | 105.8 Ų | 105.8 | 64% | 0.644 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -108.3 | 3.8 | -175.1 | -76.8 | 169.8 | 0 | 0 | 0 | 114.8 | F1713 E1714 P1719 | F1713-L1717 PolarHBondContact O-N 3.41Å; E1714-L1717 PolarHBondContact O-N 3.18Å; E1714-L1717 VanDerWaalsContact O-N 3.13Å; L1717-P1719 WeakPolarHBondContact O-CD 3.46Å |
| 1718 | N | 28.7 | Very low | 32.8 | Very low | 126 Ų | 126 | 108.3 Ų | 108.3 | 67% | 0.674 | 60% | 0.6 | S | S | * | * | trans | -108.5 | 75.8 | 176.5 | -87.3 | -57.4 | 0 | 0 | 0 | 114 | N1720 | N1718-N1720 PolarHBondContact O-N 3.39Å; N1718-N1720 VanDerWaalsContact O-N 3.15Å | ||
| 1719 | P | 26.5 | Very low | 31.8 | Very low | 108 Ų | 108 | 110.4 Ų | 110.4 | 70% | 0.701 | 62% | 0.619 | S | S | * | * | trans | -84.4 | 72 | 170.4 | 36 | -34.7 | 0 | 0 | 0 | 111.2 | L1717 | L1717-P1719 WeakPolarHBondContact O-CD 3.46Š| ||
| 1720 | N | 25.7 | Very low | 30.8 | Very low | 132 Ų | 132 | 115.8 Ų | 115.8 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | trans | 176.9 | 108.4 | 156.4 | -93.8 | -30.2 | 0 | 0 | 0 | 113.1 | N1718 | N1718-N1720 PolarHBondContact O-N 3.39Å; N1718-N1720 VanDerWaalsContact O-N 3.15Å | ||
| 1721 | S | 25.8 | Very low | 29.8 | Very low | 122 Ų | 122 | 122.6 Ų | 122.6 | 85% | 0.853 | 68% | 0.676 | S | S | * | * | 154.8 | 124.1 | 126 | 68.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1722 | S | 23.1 | Very low | 28.8 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 80% | 0.797 | 69% | 0.688 | S | S | * | * | trans | -164.1 | 65.6 | 165.3 | 65.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1723 | T | 28.2 | Very low | 27.9 | Very low | 136 Ų | 136 | 127.9 Ų | 127.9 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | trans | -175.7 | 151 | 160.2 | 36.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1724 | I | 27.4 | Very low | 27.3 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 72% | 0.723 | 72% | 0.722 | S | S | * | * | cis | -168.6 | 136.7 | -47.5 | -109.4 | 164.1 | 0 | 0 | 0 | 106.6 | ||||
| 1725 | N | 25.2 | Very low | 26.6 | Very low | 142 Ų | 142 | 133 Ų | 133 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | 63.7 | 159 | 169.9 | -64.4 | 2.1 | 0 | 0 | 0 | 117.7 | ||||
| 1726 | D | 26.3 | Very low | 26 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 53% | 0.529 | 74% | 0.737 | S | S | . | * | cis | -155.2 | 144.7 | 2.9 | -136.4 | -11 | 0 | 0 | 0 | 113.3 | ||||
| 1727 | K | 23.9 | Very low | 25.6 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 74% | 0.735 | 74% | 0.744 | S | S | * | * | trans | 55.4 | 163.4 | 144.3 | -76.5 | 161 | -162.2 | 146.6 | 0 | 122.8 | ||||
| 1728 | P | 30 | Very low | 25.2 | Very low | 111 Ų | 111 | 134 Ų | 134 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | cis | -139.7 | -164.9 | -38 | 34.8 | -13.4 | 0 | 0 | 0 | 114.5 | ||||
| 1729 | V | 25.5 | Very low | 25.1 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | trans | 100.7 | 148 | 156.9 | -162.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1730 | N | 24.7 | Very low | 25 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | -83.7 | 177.6 | -169.5 | -115 | -38.9 | 0 | 0 | 0 | 114.5 | ||||
| 1731 | K | 26.3 | Very low | 25 | Very low | 183 Ų | 183 | 136.8 Ų | 136.8 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -48 | 147.3 | 176.2 | -75.9 | -175 | 175.5 | -177.8 | 0 | 115.7 | ||
| 1732 | N | 23.8 | Very low | 24.9 | Very low | 141 Ų | 141 | 134 Ų | 134 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | 72 | 129 | 162.1 | -56.3 | -2.8 | 0 | 0 | 0 | 114.5 | ||||
| 1733 | N | 22.5 | Very low | 25 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | cis | -118.6 | 143.6 | 19 | -70.2 | -36.1 | 0 | 0 | 0 | 114.5 | ||||
| 1734 | T | 23.4 | Very low | 24.8 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | 43.7 | 137 | 143.8 | 55.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 1735 | E | 22.7 | Very low | 24.6 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | 91.4 | 104.1 | 157.6 | -65.9 | -178.2 | -154.4 | 0 | 0 | 121 | ||||
| 1736 | N | 23.2 | Very low | 24.6 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | 67.2 | 116.9 | 123 | -57.8 | -26.1 | 0 | 0 | 0 | 123.1 | |||||
| 1737 | N | 23.7 | Very low | 24.6 | Very low | 140 Ų | 140 | 144 Ų | 144 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | 76 | 102.8 | 131.5 | -65.8 | -16.2 | 0 | 0 | 0 | 123.1 | ||||
| 1738 | S | 23.4 | Very low | 24.7 | Very low | 96 Ų | 96 | 141.7 Ų | 141.7 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | 92.8 | 140.4 | 111.6 | 78.4 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1739 | N | 25.5 | Very low | 24.7 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | 68.3 | 156.6 | 143.2 | -69.8 | -11.1 | 0 | 0 | 0 | 120.9 | ||||
| 1740 | Q | 25.4 | Very low | 24.9 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | cis | -171.7 | 149.1 | -38.8 | -129.6 | -171.2 | 29.4 | 0 | 0 | 109.7 | ||||
| 1741 | N | 24.9 | Very low | 25.3 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | 63 | 166 | 159.4 | -46.9 | -30.1 | 0 | 0 | 0 | 117.8 | ||||
| 1742 | G | 24 | Very low | 25.6 | Very low | 63 Ų | 63 | 139.8 Ų | 139.8 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | cis | 134.4 | 105.1 | -14.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1743 | H | 25.5 | Very low | 26.2 | Very low | 188 Ų | 188 | 136.8 Ų | 136.8 | 87% | 0.87 | 73% | 0.728 | S | S | * | * | trans | -139.8 | 124 | 160.9 | -75.1 | -81 | 0 | 0 | 0 | 107.3 | ||||
| 1744 | L | 23.2 | Very low | 26.7 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 57% | 0.571 | 72% | 0.724 | S | S | * | * | cis | 88.5 | 110.4 | 24.3 | -164.2 | 129.6 | 0 | 0 | 0 | 115.2 | ||||
| 1745 | F | 24.1 | Very low | 27.4 | Very low | 210 Ų | 210 | 136 Ų | 136 | 92% | 0.921 | 71% | 0.714 | S | S | * | * | trans | -143.4 | 141.7 | 155.8 | -102.4 | -79.6 | 0 | 0 | 0 | 110 | ||||
| 1746 | N | 24.8 | Very low | 28.3 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 66% | 0.663 | 70% | 0.698 | S | S | * | * | trans | -102.3 | 152.6 | -178.1 | -69.4 | -42.9 | 0 | 0 | 0 | 111.4 | ||||
| 1747 | F | 25.8 | Very low | 29.2 | Very low | 211 Ų | 211 | 128.9 Ų | 128.9 | 93% | 0.925 | 68% | 0.683 | S | S | * | * | trans | -142.1 | 146 | 148.8 | -99.9 | -77.1 | 0 | 0 | 0 | 111.1 | ||||
| 1748 | T | 26.6 | Very low | 30.2 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 74% | 0.742 | 68% | 0.675 | S | S | * | * | trans | -117.6 | 132.9 | -177.5 | 51.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1749 | D | 28.8 | Very low | 31.2 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 70% | 0.701 | 67% | 0.668 | S | S | * | * | trans | -165.2 | 162.8 | 132.7 | -125.4 | -41 | 0 | 0 | 0 | 115.6 | T1751 | D1749-T1751 PolarHBondContact O-N 3.38Š| ||
| 1750 | K | 30.3 | Very low | 32 | Very low | 178 Ų | 178 | 123 Ų | 123 | 77% | 0.774 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -16 | -169 | -69.2 | 168.1 | -177.4 | 160.6 | 0 | 115.3 | L1752 S1753 | K1750-L1752 PolarHBondContact O-N 3.16Å; K1750-S1753 PolarHBondContact O-N 2.79Å; K1750-S1753 PolarHBondContact O-OG 3.48Å |
| 1751 | T | 33.2 | Very low | 33 | Very low | 118 Ų | 118 | 120 Ų | 120 | 72% | 0.724 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -29.5 | -169.4 | 46.4 | 0 | 0 | 0 | 0 | 114.6 | D1749 S1753 | D1749-T1751 PolarHBondContact O-N 3.38Å; T1751-S1753 VanDerWaalsContact C-N 3.31Å; T1751-S1753 PolarHBondContact O-N 3.26Å |
| 1752 | L | 33.3 | Very low | 34.1 | Very low | 121 Ų | 121 | 116.6 Ų | 116.6 | 63% | 0.634 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.8 | -31.2 | 179.8 | -87.1 | 159.9 | 0 | 0 | 0 | 113.6 | K1750 Y1754 S1755 L1756 | K1750-L1752 PolarHBondContact O-N 3.16Å; L1752-Y1754 VanDerWaalsContact C-N 3.34Å; L1752-Y1754 PolarHBondContact O-N 2.9Å; L1752-S1755 WeakPolarHBondContact O-CB 3.43Å; L1752-S1755 PolarHBondContact O-N 3.36Å; L1752-S1755 VanDerWaalsContact O-N 3.16Å; L1752-L1756 PolarHBondContact O-N 2.72Å |
| 1753 | S | 36.5 | Very low | 35 | Very low | 77 Ų | 77 | 117 Ų | 117 | 54% | 0.538 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -57.2 | -42.3 | -173.5 | 61.3 | 0 | 0 | 0 | 0 | 113.6 | K1750 T1751 L1756 T1757 | K1750-S1753 PolarHBondContact O-N 2.79Å; K1750-S1753 PolarHBondContact O-OG 3.48Å; T1751-S1753 VanDerWaalsContact C-N 3.31Å; T1751-S1753 PolarHBondContact O-N 3.26Å; S1753-L1756 PolarHBondContact O-N 3.44Å; S1753-T1757 PolarHBondContact O-N 3.1Å; S1753-T1757 VanDerWaalsContact O-N 3.09Å; S1753-T1757 PolarHBondContact O-OG1 3.28Å; S1753-T1757 VanDerWaalsContact O-OG1 3.05Å |
| 1754 | Y | 31.8 | Very low | 35.8 | Very low | 172 Ų | 172 | 109.9 Ų | 109.9 | 68% | 0.675 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -76.3 | -23.6 | -177.3 | -147.7 | -103.2 | 0 | 0 | 0 | 113.3 | L1752 T1757 K1758 | L1752-Y1754 VanDerWaalsContact C-N 3.34Å; L1752-Y1754 PolarHBondContact O-N 2.9Å; Y1754-T1757 WeakPolarHBondContact CA-OG1 3.23Å; Y1754-T1757 PolarHBondContact O-OG1 3.25Å; Y1754-K1758 PolarHBondContact O-N 2.89Å |
| 1755 | S | 39.5 | Very low | 37 | Very low | 78 Ų | 78 | 113 Ų | 113 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -73.9 | -50.1 | 171.7 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | L1752 T1757 K1758 C1759 | L1752-S1755 WeakPolarHBondContact O-CB 3.43Å; L1752-S1755 PolarHBondContact O-N 3.36Å; L1752-S1755 VanDerWaalsContact O-N 3.16Å; S1755-T1757 PolarHBondContact O-N 3.45Å; S1755-K1758 PolarHBondContact O-N 3.4Å; S1755-K1758 VanDerWaalsContact O-N 3.14Å; S1755-C1759 PolarHBondContact O-N 2.91Å |
| 1756 | L | 41.1 | Very low | 38.4 | Very low | 86 Ų | 86 | 108.8 Ų | 108.8 | 45% | 0.45 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.7 | -40.7 | -177.8 | -125.8 | 152.5 | 0 | 0 | 0 | 111.9 | L1752 S1753 C1759 L1760 | L1752-L1756 PolarHBondContact O-N 2.72Å; S1753-L1756 PolarHBondContact O-N 3.44Å; L1756-C1759 PolarHBondContact O-N 2.81Å; L1756-L1760 HydrophobicContact CD2-CD1 3.97Å; L1756-L1760 HydrophobicContact CD2-CG 4.27Å; L1756-L1760 WeakPolarHBondContact O-CB 3.06Å; L1756-L1760 WeakPolarHBondContact O-CG 3.31Å; L1756-L1760 PolarHBondContact O-N 3.17Å |
| 1757 | T | 42.9 | Very low | 39.4 | Very low | 59 Ų | 59 | 108 Ų | 108 | 36% | 0.362 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.2 | -39.5 | 173.2 | 48.2 | 0 | 0 | 0 | 0 | 113.2 | S1753 Y1754 S1755 C1759 I1761 | S1753-T1757 PolarHBondContact O-N 3.1Å; S1753-T1757 VanDerWaalsContact O-N 3.09Å; S1753-T1757 PolarHBondContact O-OG1 3.28Å; S1753-T1757 VanDerWaalsContact O-OG1 3.05Å; Y1754-T1757 WeakPolarHBondContact CA-OG1 3.23Å; Y1754-T1757 PolarHBondContact O-OG1 3.25Å; S1755-T1757 PolarHBondContact O-N 3.45Å; T1757-C1759 VanDerWaalsContact C-N 3.32Å; T1757-C1759 PolarHBondContact O-N 2.95Å; T1757-I1761 WeakPolarHBondContact O-CB 3.22Å; T1757-I1761 WeakPolarHBondContact O-CD1 3.45Å; T1757-I1761 WeakPolarHBondContact O-CG1 3.43Å; T1757-I1761 PolarHBondContact O-N 3.4Å |
| 1758 | K | 44 | Very low | 40.4 | Very low | 134 Ų | 134 | 101.5 Ų | 101.5 | 58% | 0.583 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64 | -38.7 | 174.2 | -85.3 | -173.2 | 174.1 | -175.2 | 0 | 111.9 | Y1754 S1755 S1762 | Y1754-K1758 PolarHBondContact O-N 2.89Å; S1755-K1758 PolarHBondContact O-N 3.4Å; S1755-K1758 VanDerWaalsContact O-N 3.14Å; K1758-S1762 WeakPolarHBondContact O-CB 3.28Å; K1758-S1762 PolarHBondContact O-N 3.45Å; K1758-S1762 VanDerWaalsContact O-N 3.08Å; K1758-S1762 PolarHBondContact O-OG 3.24Å |
| 1759 | C | 44.9 | Very low | 41.5 | Very low | 78 Ų | 78 | 104.6 Ų | 104.6 | 53% | 0.527 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.9 | -51.7 | 176.5 | -160 | 0 | 0 | 0 | 0 | 110.9 | S1755 L1756 T1757 I1761 S1762 S1763 | S1755-C1759 PolarHBondContact O-N 2.91Å; L1756-C1759 PolarHBondContact O-N 2.81Å; T1757-C1759 VanDerWaalsContact C-N 3.32Å; T1757-C1759 PolarHBondContact O-N 2.95Å; C1759-I1761 PolarHBondContact O-N 2.96Å; C1759-S1762 WeakPolarHBondContact O-CA 3.18Å; C1759-S1762 WeakPolarHBondContact O-CB 3.09Å; C1759-S1762 PolarHBondContact O-N 3.47Å; C1759-S1763 PolarHBondContact O-N 3.17Å; C1759-S1763 PolarHBondContact O-OG 3.18Å |
| 1760 | L | 42.4 | Very low | 42.7 | Very low | 39 Ų | 39 | 104.3 Ų | 104.3 | 20% | 0.204 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 177.4 | -72.2 | 169.1 | 0 | 0 | 0 | 112.9 | L1709 L1712 L1756 S1762 S1763 L1764 | L1709-L1760 HydrophobicContact CD2-CD1 4.35Å; L1709-L1760 HydrophobicContact CD2-CD2 4.08Å; L1712-L1760 HydrophobicContact CD1-CD2 4.08Å; L1756-L1760 HydrophobicContact CD2-CD1 3.97Å; L1756-L1760 HydrophobicContact CD2-CG 4.27Å; L1756-L1760 WeakPolarHBondContact O-CB 3.06Å; L1756-L1760 WeakPolarHBondContact O-CG 3.31Å; L1756-L1760 PolarHBondContact O-N 3.17Å; L1760-S1762 VanDerWaalsContact C-N 3.26Å; L1760-S1762 PolarHBondContact O-N 3.3Å; L1760-S1763 PolarHBondContact O-N 2.84Å; L1760-L1764 WeakPolarHBondContact O-CB 3.29Å; L1760-L1764 PolarHBondContact O-N 3.49Å |
| 1761 | I | 45.2 | Very low | 43.6 | Very low | 81 Ų | 81 | 98 Ų | 98 | 42% | 0.415 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -34.2 | 175.3 | -70.4 | 165.7 | 0 | 0 | 0 | 111.4 | T1757 C1759 R1765 | T1757-I1761 WeakPolarHBondContact O-CB 3.22Å; T1757-I1761 WeakPolarHBondContact O-CD1 3.45Å; T1757-I1761 WeakPolarHBondContact O-CG1 3.43Å; T1757-I1761 PolarHBondContact O-N 3.4Å; C1759-I1761 PolarHBondContact O-N 2.96Å; I1761-R1765 WeakPolarHBondContact O-CB 3.42Å; I1761-R1765 VanDerWaalsContact O-CG 3.24Å; I1761-R1765 WeakPolarHBondContact O-CG 3.45Å; I1761-R1765 PolarHBondContact O-N 2.88Å |
| 1762 | S | 48.6 | Very low | 44.5 | Very low | 71 Ų | 71 | 98.5 Ų | 98.5 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.3 | -46.3 | 177.3 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | K1758 C1759 L1760 L1764 R1765 Q1766 | K1758-S1762 WeakPolarHBondContact O-CB 3.28Å; K1758-S1762 PolarHBondContact O-N 3.45Å; K1758-S1762 VanDerWaalsContact O-N 3.08Å; K1758-S1762 PolarHBondContact O-OG 3.24Å; C1759-S1762 WeakPolarHBondContact O-CA 3.18Å; C1759-S1762 WeakPolarHBondContact O-CB 3.09Å; C1759-S1762 PolarHBondContact O-N 3.47Å; L1760-S1762 VanDerWaalsContact C-N 3.26Å; L1760-S1762 PolarHBondContact O-N 3.3Å; S1762-L1764 PolarHBondContact O-N 3.43Å; S1762-R1765 PolarHBondContact O-N 3.21Å; S1762-Q1766 WeakPolarHBondContact O-CB 3.33Å; S1762-Q1766 PolarHBondContact O-N 3.11Å |
| 1763 | S | 42.4 | Very low | 46 | Very low | 70 Ų | 70 | 97.5 Ų | 97.5 | 49% | 0.49 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 174 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | C1759 L1760 R1765 Q1766 Y1767 | C1759-S1763 PolarHBondContact O-N 3.17Å; C1759-S1763 PolarHBondContact O-OG 3.18Å; L1760-S1763 PolarHBondContact O-N 2.84Å; S1763-R1765 PolarHBondContact O-N 3.34Å; S1763-Q1766 PolarHBondContact O-N 3.02Å; S1763-Q1766 VanDerWaalsContact O-N 3.16Å; S1763-Y1767 WeakPolarHBondContact O-CB 3.31Å; S1763-Y1767 PolarHBondContact O-N 3.37Å |
| 1764 | L | 43.1 | Very low | 46.6 | Very low | 39 Ų | 39 | 99.2 Ų | 99.2 | 20% | 0.204 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 176 | -99.4 | 163.9 | 0 | 0 | 0 | 112.7 | I1705 L1709 L1760 S1762 Q1766 Y1767 L1768 | I1705-L1764 HydrophobicContact CB-CD2 4.4Å; I1705-L1764 HydrophobicContact CD1-CD2 3.94Å; I1705-L1764 HydrophobicContact CG1-CD2 3.89Å; I1705-L1764 HydrophobicContact CG2-CD1 4.04Å; I1705-L1764 HydrophobicContact CG2-CD2 3.66Å; I1705-L1764 HydrophobicContact CG2-CG 4.47Å; L1709-L1764 HydrophobicContact CD1-CD1 4.2Å; L1709-L1764 HydrophobicContact CD2-CD1 4.42Å; L1760-L1764 WeakPolarHBondContact O-CB 3.29Å; L1760-L1764 PolarHBondContact O-N 3.49Å; S1762-L1764 PolarHBondContact O-N 3.43Å; L1764-Q1766 VanDerWaalsContact C-N 3.29Å; L1764-Q1766 PolarHBondContact O-N 2.99Å; L1764-Y1767 PolarHBondContact O-N 2.93Å; L1764-L1768 WeakPolarHBondContact O-CB 3.3Å; L1764-L1768 VanDerWaalsContact O-CG 3.27Å; L1764-L1768 WeakPolarHBondContact O-CG 3.24Å; L1764-L1768 PolarHBondContact O-N 3.28Å |
| 1765 | R | 48.5 | Very low | 47.6 | Very low | 174 Ų | 174 | 96.6 Ų | 96.6 | 66% | 0.657 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.3 | -33.9 | 173.9 | -75 | 171.1 | 177.9 | -167.7 | -1 | 112.3 | I1761 S1762 S1763 R1769 | I1761-R1765 WeakPolarHBondContact O-CB 3.42Å; I1761-R1765 VanDerWaalsContact O-CG 3.24Å; I1761-R1765 WeakPolarHBondContact O-CG 3.45Å; I1761-R1765 PolarHBondContact O-N 2.88Å; S1762-R1765 PolarHBondContact O-N 3.21Å; S1763-R1765 PolarHBondContact O-N 3.34Å; R1765-R1769 WeakPolarHBondContact O-CB 3.4Å; R1765-R1769 VanDerWaalsContact O-CG 3.26Å; R1765-R1769 WeakPolarHBondContact O-CG 3.16Å; R1765-R1769 PolarHBondContact O-N 3.29Å; R1765-R1769 VanDerWaalsContact O-N 3.17Å |
| 1766 | Q | 53.2 | Low | 48.8 | Very low | 123 Ų | 123 | 97.7 Ų | 97.7 | 58% | 0.575 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -72.8 | -43.2 | 177.1 | -173.8 | 164.3 | -21.1 | 0 | 0 | 111.7 | S1762 S1763 L1764 R1769 Q1770 | S1762-Q1766 WeakPolarHBondContact O-CB 3.33Å; S1762-Q1766 PolarHBondContact O-N 3.11Å; S1763-Q1766 PolarHBondContact O-N 3.02Å; S1763-Q1766 VanDerWaalsContact O-N 3.16Å; L1764-Q1766 VanDerWaalsContact C-N 3.29Å; L1764-Q1766 PolarHBondContact O-N 2.99Å; Q1766-R1769 PolarHBondContact O-N 3.46Å; Q1766-Q1770 WeakPolarHBondContact O-CG 3.42Å; Q1766-Q1770 PolarHBondContact O-N 3.11Å |
| 1767 | Y | 45.3 | Very low | 49.9 | Very low | 108 Ų | 108 | 96.6 Ų | 96.6 | 42% | 0.424 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.1 | -52 | 172.8 | -174.5 | -85.7 | 0 | 0 | 0 | 111.4 | S1763 L1764 R1769 Q1770 Q1771 | S1763-Y1767 WeakPolarHBondContact O-CB 3.31Å; S1763-Y1767 PolarHBondContact O-N 3.37Å; L1764-Y1767 PolarHBondContact O-N 2.93Å; Y1767-R1769 VanDerWaalsContact C-N 3.26Å; Y1767-R1769 PolarHBondContact O-N 2.72Å; Y1767-Q1770 PolarHBondContact O-N 3.01Å; Y1767-Q1770 VanDerWaalsContact O-N 3.07Å; Y1767-Q1771 HydrophobicContact CE1-CG 4.47Å; Y1767-Q1771 WeakPolarHBondContact O-CB 3.39Å; Y1767-Q1771 PolarHBondContact O-N 3.28Å |
| 1768 | L | 46 | Very low | 50.3 | Low | 74 Ų | 74 | 97.6 Ų | 97.6 | 39% | 0.387 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.1 | -33.8 | 179.1 | -72.2 | 168.7 | 0 | 0 | 0 | 112.8 | I1705 L1764 Q1772 | I1705-L1768 HydrophobicContact CD1-CD2 4.4Å; L1764-L1768 WeakPolarHBondContact O-CB 3.3Å; L1764-L1768 VanDerWaalsContact O-CG 3.27Å; L1764-L1768 WeakPolarHBondContact O-CG 3.24Å; L1764-L1768 PolarHBondContact O-N 3.28Å; L1768-Q1772 WeakPolarHBondContact O-CB 3.38Å; L1768-Q1772 PolarHBondContact O-N 3.36Å |
| 1769 | R | 51.6 | Low | 51.4 | Low | 185 Ų | 185 | 97.4 Ų | 97.4 | 70% | 0.698 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -67.3 | -45.9 | 172.1 | -77.9 | 174.4 | 179.8 | -163.2 | -0.1 | 112.3 | R1765 Q1766 Y1767 Q1771 Q1772 V1773 | R1765-R1769 WeakPolarHBondContact O-CB 3.4Å; R1765-R1769 VanDerWaalsContact O-CG 3.26Å; R1765-R1769 WeakPolarHBondContact O-CG 3.16Å; R1765-R1769 PolarHBondContact O-N 3.29Å; R1765-R1769 VanDerWaalsContact O-N 3.17Å; Q1766-R1769 PolarHBondContact O-N 3.46Å; Y1767-R1769 VanDerWaalsContact C-N 3.26Å; Y1767-R1769 PolarHBondContact O-N 2.72Å; R1769-Q1771 VanDerWaalsContact C-N 3.28Å; R1769-Q1771 PolarHBondContact O-N 3.31Å; R1769-Q1772 PolarHBondContact O-N 3.32Å; R1769-V1773 WeakPolarHBondContact O-CG2 3.48Å; R1769-V1773 PolarHBondContact O-N 3.43Å; R1769-V1773 VanDerWaalsContact O-N 3.1Å |
| 1770 | Q | 52.6 | Low | 52.7 | Low | 125 Ų | 125 | 99 Ų | 99 | 58% | 0.584 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.5 | -39.3 | 175.3 | -72.1 | 175.7 | -25.1 | 0 | 0 | 111.3 | Q1766 Y1767 V1773 Y1774 | Q1766-Q1770 WeakPolarHBondContact O-CG 3.42Å; Q1766-Q1770 PolarHBondContact O-N 3.11Å; Y1767-Q1770 PolarHBondContact O-N 3.01Å; Y1767-Q1770 VanDerWaalsContact O-N 3.07Å; Q1770-V1773 PolarHBondContact O-N 2.84Å; Q1770-Y1774 PolarHBondContact O-N 2.82Å |
| 1771 | Q | 50.7 | Low | 53.6 | Low | 46 Ų | 46 | 99.1 Ų | 99.1 | 22% | 0.215 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -69.8 | -34.9 | 177.9 | -150.3 | -170.3 | 4.3 | 0 | 0 | 112.7 | E1701 Y1767 R1769 Y1774 R1775 | E1701-Q1771 PolarHBondContact OE1-NE2 2.86Å; E1701-Q1771 PolarHBondContact OE1-OE1 3.11Å; Y1767-Q1771 HydrophobicContact CE1-CG 4.47Å; Y1767-Q1771 WeakPolarHBondContact O-CB 3.39Å; Y1767-Q1771 PolarHBondContact O-N 3.28Å; R1769-Q1771 VanDerWaalsContact C-N 3.28Å; R1769-Q1771 PolarHBondContact O-N 3.31Å; Q1771-Y1774 PolarHBondContact O-N 2.99Å; Q1771-R1775 WeakPolarHBondContact O-CG 3.23Å; Q1771-R1775 PolarHBondContact O-N 3.14Å |
| 1772 | Q | 51.9 | Low | 54.4 | Low | 128 Ų | 128 | 101.8 Ų | 101.8 | 60% | 0.598 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.8 | -45.9 | 168.9 | -91.7 | -173 | -37.5 | 0 | 0 | 111.9 | L1768 R1769 Y1774 R1775 I1776 | L1768-Q1772 WeakPolarHBondContact O-CB 3.38Å; L1768-Q1772 PolarHBondContact O-N 3.36Å; R1769-Q1772 PolarHBondContact O-N 3.32Å; Q1772-Y1774 VanDerWaalsContact C-N 3.32Å; Q1772-Y1774 PolarHBondContact O-N 2.94Å; Q1772-R1775 PolarHBondContact O-N 3.39Å; Q1772-I1776 WeakPolarHBondContact O-CG1 3.45Å; Q1772-I1776 PolarHBondContact O-N 3.46Å |
| 1773 | V | 63.2 | Low | 55.3 | Low | 100 Ų | 100 | 103.1 Ų | 103.1 | 61% | 0.606 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.3 | -43.6 | 175.9 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | R1769 Q1770 R1775 I1776 Q1777 | R1769-V1773 WeakPolarHBondContact O-CG2 3.48Å; R1769-V1773 PolarHBondContact O-N 3.43Å; R1769-V1773 VanDerWaalsContact O-N 3.1Å; Q1770-V1773 PolarHBondContact O-N 2.84Å; V1773-R1775 PolarHBondContact O-N 3.03Å; V1773-I1776 PolarHBondContact O-N 2.83Å; V1773-Q1777 PolarHBondContact O-N 3.15Å |
| 1774 | Y | 50.4 | Low | 56.3 | Low | 114 Ų | 114 | 106 Ų | 106 | 45% | 0.447 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 177.1 | -176 | -123.6 | 0 | 0 | 0 | 113.2 | Q1770 Q1771 Q1772 Q1777 L1778 | Q1770-Y1774 PolarHBondContact O-N 2.82Å; Q1771-Y1774 PolarHBondContact O-N 2.99Å; Q1772-Y1774 VanDerWaalsContact C-N 3.32Å; Q1772-Y1774 PolarHBondContact O-N 2.94Å; Y1774-Q1777 PolarHBondContact O-N 3.47Å; Y1774-L1778 HydrophobicContact CD1-CD1 3.99Å; Y1774-L1778 HydrophobicContact CE1-CD1 3.57Å; Y1774-L1778 HydrophobicContact CE1-CG 4.33Å; Y1774-L1778 HydrophobicContact CE2-CD1 4.29Å; Y1774-L1778 HydrophobicContact CE2-CG 4.16Å; Y1774-L1778 PolarHBondContact O-N 3.21Å |
| 1775 | R | 51.9 | Low | 57 | Low | 117 Ų | 117 | 109.4 Ų | 109.4 | 44% | 0.442 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -37 | 172.2 | -77.8 | -177.6 | 174.2 | -169.4 | -0 | 112.8 | E1701 Q1771 Q1772 V1773 K1779 | E1701-R1775 IonicContact OE1-CZ 3.41Å; E1701-R1775 IonicContact OE1-NE 3.72Å; E1701-R1775 IonicContact OE1-NH2 2.64Å; E1701-R1775 PolarHBondContact OE1-NH2 3.34Å; E1701-R1775 IonicContact OE2-CZ 3.61Å; E1701-R1775 IonicContact OE2-NH1 3.99Å; E1701-R1775 IonicContact OE2-NH2 2.7Å; E1701-R1775 PolarHBondContact OE2-NH2 3.47Å; Q1771-R1775 WeakPolarHBondContact O-CG 3.23Å; Q1771-R1775 PolarHBondContact O-N 3.14Å; Q1772-R1775 PolarHBondContact O-N 3.39Å; V1773-R1775 PolarHBondContact O-N 3.03Å; R1775-K1779 PolarHBondContact O-N 3.06Å |
| 1776 | I | 65.6 | Low | 57.7 | Low | 101 Ų | 101 | 103.5 Ų | 103.5 | 52% | 0.518 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 176.4 | -69.6 | 164 | 0 | 0 | 0 | 110.4 | Q1772 V1773 K1779 K1780 | Q1772-I1776 WeakPolarHBondContact O-CG1 3.45Å; Q1772-I1776 PolarHBondContact O-N 3.46Å; V1773-I1776 PolarHBondContact O-N 2.83Å; I1776-K1779 PolarHBondContact O-N 3.13Å; I1776-K1780 WeakPolarHBondContact O-CG 3.31Å; I1776-K1780 PolarHBondContact O-N 3.38Å; I1776-K1780 VanDerWaalsContact O-N 3.12Å |
| 1777 | Q | 62.6 | Low | 58.6 | Low | 63 Ų | 63 | 102.9 Ų | 102.9 | 29% | 0.294 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.1 | -55 | 173.3 | -167.7 | 61.7 | 17.9 | 0 | 0 | 110.5 | E34 V1773 Y1774 K1779 K1780 D1781 | E34-Q1777 PolarHBondContact OE2-NE2 2.93Å; V1773-Q1777 PolarHBondContact O-N 3.15Å; Y1774-Q1777 PolarHBondContact O-N 3.47Å; Q1777-K1779 PolarHBondContact O-N 2.9Å; Q1777-K1780 CarbonylContact O-C 3.13Å; Q1777-K1780 WeakPolarHBondContact O-CA 3.4Å; Q1777-K1780 WeakPolarHBondContact O-CB 3.44Å; Q1777-K1780 PolarHBondContact O-N 3.44Å; Q1777-D1781 PolarHBondContact NE2-OD1 2.83Å; Q1777-D1781 PolarHBondContact O-N 3.31Å |
| 1778 | L | 53.2 | Low | 59 | Low | 80 Ų | 80 | 102.3 Ų | 102.3 | 42% | 0.419 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -51.3 | -34.4 | 176.7 | -79.5 | 170.6 | 0 | 0 | 0 | 114.1 | Y1774 Y1782 | Y1774-L1778 HydrophobicContact CD1-CD1 3.99Å; Y1774-L1778 HydrophobicContact CE1-CD1 3.57Å; Y1774-L1778 HydrophobicContact CE1-CG 4.33Å; Y1774-L1778 HydrophobicContact CE2-CD1 4.29Å; Y1774-L1778 HydrophobicContact CE2-CG 4.16Å; Y1774-L1778 PolarHBondContact O-N 3.21Å; L1778-Y1782 WeakPolarHBondContact O-CB 3.02Å; L1778-Y1782 PolarHBondContact O-N 3.45Å |
| 1779 | K | 67 | Low | 59.7 | Low | 130 Ų | 130 | 100.1 Ų | 100.1 | 57% | 0.565 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -71.2 | -42 | 174.6 | -168.5 | 173.8 | -173.5 | -86.3 | 0 | 112.3 | R1775 I1776 Q1777 D1781 Y1782 E1783 | R1775-K1779 PolarHBondContact O-N 3.06Å; I1776-K1779 PolarHBondContact O-N 3.13Å; Q1777-K1779 PolarHBondContact O-N 2.9Å; K1779-D1781 VanDerWaalsContact C-N 3.3Å; K1779-Y1782 PolarHBondContact O-N 2.95Å; K1779-E1783 WeakPolarHBondContact CE-OE1 3.42Å; K1779-E1783 IonicContact NZ-OE1 2.63Å; K1779-E1783 PolarHBondContact NZ-OE1 2.97Å; K1779-E1783 WeakPolarHBondContact O-CB 3.22Å; K1779-E1783 WeakPolarHBondContact O-CG 3.1Å; K1779-E1783 PolarHBondContact O-N 2.9Å |
| 1780 | K | 71 | Confident | 60.2 | Low | 110 Ų | 110 | 91.6 Ų | 91.6 | 48% | 0.478 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62 | -38.9 | 171 | -70.3 | 177.1 | 177.6 | -178.1 | 0 | 111.7 | I1776 Q1777 Y1782 E1783 R1784 | I1776-K1780 WeakPolarHBondContact O-CG 3.31Å; I1776-K1780 PolarHBondContact O-N 3.38Å; I1776-K1780 VanDerWaalsContact O-N 3.12Å; Q1777-K1780 CarbonylContact O-C 3.13Å; Q1777-K1780 WeakPolarHBondContact O-CA 3.4Å; Q1777-K1780 WeakPolarHBondContact O-CB 3.44Å; Q1777-K1780 PolarHBondContact O-N 3.44Å; K1780-Y1782 VanDerWaalsContact C-N 3.34Å; K1780-E1783 PolarHBondContact O-N 3.05Å; K1780-R1784 VanDerWaalsContact O-CB 3.26Å; K1780-R1784 WeakPolarHBondContact O-CB 3.48Å; K1780-R1784 VanDerWaalsContact O-CG 3.29Å; K1780-R1784 WeakPolarHBondContact O-CG 3.46Å; K1780-R1784 PolarHBondContact O-N 3.2Å |
| 1781 | D | 61.4 | Low | 60.6 | Low | 43 Ų | 43 | 87.4 Ų | 87.4 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.5 | -37 | -179.9 | -50.1 | -18.2 | 0 | 0 | 0 | 110.4 | Q1777 K1779 R1784 L1785 | Q1777-D1781 PolarHBondContact NE2-OD1 2.83Å; Q1777-D1781 PolarHBondContact O-N 3.31Å; K1779-D1781 VanDerWaalsContact C-N 3.3Å; D1781-R1784 WeakPolarHBondContact O-CB 3.49Å; D1781-L1785 VanDerWaalsContact O-CB 3.27Å; D1781-L1785 WeakPolarHBondContact O-CB 3.31Å; D1781-L1785 PolarHBondContact O-N 3.48Å |
| 1782 | Y | 62 | Low | 60.5 | Low | 137 Ų | 137 | 88.2 Ų | 88.2 | 54% | 0.537 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71.8 | -37.7 | 172.6 | -177.2 | -103.6 | 0 | 0 | 0 | 112.9 | L1778 K1779 K1780 L1785 N1786 | L1778-Y1782 WeakPolarHBondContact O-CB 3.02Å; L1778-Y1782 PolarHBondContact O-N 3.45Å; K1779-Y1782 PolarHBondContact O-N 2.95Å; K1780-Y1782 VanDerWaalsContact C-N 3.34Å; Y1782-L1785 PolarHBondContact O-N 3.3Å; Y1782-N1786 WeakPolarHBondContact CE1-ND2 3.21Å; Y1782-N1786 VanDerWaalsContact CZ-ND2 3.29Å; Y1782-N1786 WeakPolarHBondContact O-CB 3.5Å; Y1782-N1786 PolarHBondContact O-N 3.33Å; Y1782-N1786 PolarHBondContact OH-ND2 3.01Å |
| 1783 | E | 68.5 | Low | 60.7 | Low | 98 Ų | 98 | 82.1 Ų | 82.1 | 46% | 0.458 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 171.8 | -75.4 | 167.4 | -171.2 | 0 | 0 | 111.2 | K1779 K1780 N1786 K1787 | K1779-E1783 WeakPolarHBondContact CE-OE1 3.42Å; K1779-E1783 IonicContact NZ-OE1 2.63Å; K1779-E1783 PolarHBondContact NZ-OE1 2.97Å; K1779-E1783 WeakPolarHBondContact O-CB 3.22Å; K1779-E1783 WeakPolarHBondContact O-CG 3.1Å; K1779-E1783 PolarHBondContact O-N 2.9Å; K1780-E1783 PolarHBondContact O-N 3.05Å; E1783-N1786 PolarHBondContact O-N 2.88Å; E1783-K1787 WeakPolarHBondContact O-CB 3.24Å; E1783-K1787 PolarHBondContact O-N 2.85Å |
| 1784 | R | 63.4 | Low | 60.8 | Low | 131 Ų | 131 | 79.5 Ų | 79.5 | 49% | 0.494 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 167.8 | -81.4 | 174.4 | 164.4 | -169.7 | -9.1 | 110.9 | E34 K1780 D1781 K1787 L1788 | E34-R1784 IonicContact OE1-CZ 2.8Å; E34-R1784 IonicContact OE1-NH1 3.99Å; E34-R1784 PolarHBondContact OE1-NH1 2.93Å; E34-R1784 IonicContact OE2-NH1 2.64Å; K1780-R1784 VanDerWaalsContact O-CB 3.26Å; K1780-R1784 WeakPolarHBondContact O-CB 3.48Å; K1780-R1784 VanDerWaalsContact O-CG 3.29Å; K1780-R1784 WeakPolarHBondContact O-CG 3.46Å; K1780-R1784 PolarHBondContact O-N 3.2Å; D1781-R1784 WeakPolarHBondContact O-CB 3.49Å; R1784-K1787 CarbonylContact O-C 3.36Å; R1784-K1787 VanDerWaalsContact O-C 3.26Å; R1784-K1787 WeakPolarHBondContact O-CA 3.4Å; R1784-K1787 PolarHBondContact O-N 3.31Å; R1784-K1787 VanDerWaalsContact O-N 3.15Å; R1784-L1788 WeakPolarHBondContact O-CB 3.33Å; R1784-L1788 PolarHBondContact O-N 2.91Å |
| 1785 | L | 58.2 | Low | 60.6 | Low | 111 Ų | 111 | 74.5 Ų | 74.5 | 58% | 0.581 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -68.2 | -35.6 | 179.8 | -176 | 66.4 | 0 | 0 | 0 | 112.2 | D1781 Y1782 L1788 K1789 | D1781-L1785 VanDerWaalsContact O-CB 3.27Å; D1781-L1785 WeakPolarHBondContact O-CB 3.31Å; D1781-L1785 PolarHBondContact O-N 3.48Å; Y1782-L1785 PolarHBondContact O-N 3.3Å; L1785-L1788 CarbonylContact O-C 3.02Å; L1785-L1788 PolarHBondContact O-N 2.86Å; L1785-K1789 PolarHBondContact O-N 3.35Å |
| 1786 | N | 63 | Low | 60.8 | Low | 49 Ų | 49 | 69 Ų | 69 | 26% | 0.262 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.2 | -37 | 169.5 | -82.7 | -29.6 | 0 | 0 | 0 | 111 | V449 Y1782 E1783 L1788 K1789 S1790 | V449-N1786 HydrophobicContact CG1-CB 4.46Å; Y1782-N1786 WeakPolarHBondContact CE1-ND2 3.21Å; Y1782-N1786 VanDerWaalsContact CZ-ND2 3.29Å; Y1782-N1786 WeakPolarHBondContact O-CB 3.5Å; Y1782-N1786 PolarHBondContact O-N 3.33Å; Y1782-N1786 PolarHBondContact OH-ND2 3.01Å; E1783-N1786 PolarHBondContact O-N 2.88Å; N1786-L1788 VanDerWaalsContact C-N 3.27Å; N1786-L1788 PolarHBondContact O-N 3.29Å; N1786-K1789 CarbonylContact O-C 3.5Å; N1786-K1789 WeakPolarHBondContact O-CA 3.44Å; N1786-K1789 WeakPolarHBondContact O-CB 3.49Å; N1786-K1789 PolarHBondContact O-N 3.44Å; N1786-S1790 WeakPolarHBondContact O-CB 3.12Å; N1786-S1790 PolarHBondContact O-N 3.43Å |
| 1787 | K | 70.8 | Confident | 60.4 | Low | 110 Ų | 110 | 66.6 Ų | 66.6 | 48% | 0.478 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -72.5 | -16.1 | 169.7 | -148.7 | -170.8 | 175.4 | -177.4 | 0 | 113.4 | E1783 R1784 K1789 S1790 N1791 | E1783-K1787 WeakPolarHBondContact O-CB 3.24Å; E1783-K1787 PolarHBondContact O-N 2.85Å; R1784-K1787 CarbonylContact O-C 3.36Å; R1784-K1787 VanDerWaalsContact O-C 3.26Å; R1784-K1787 WeakPolarHBondContact O-CA 3.4Å; R1784-K1787 PolarHBondContact O-N 3.31Å; R1784-K1787 VanDerWaalsContact O-N 3.15Å; K1787-K1789 VanDerWaalsContact C-N 3.34Å; K1787-S1790 WeakPolarHBondContact CA-OG 3.2Å; K1787-S1790 WeakPolarHBondContact CG-OG 3.45Å; K1787-S1790 CarbonylContact O-C 2.91Å; K1787-S1790 WeakPolarHBondContact O-CA 3.49Å; K1787-S1790 PolarHBondContact O-N 3.01Å; K1787-S1790 PolarHBondContact O-OG 2.79Å; K1787-N1791 WeakPolarHBondContact CE-OD1 2.94Å; K1787-N1791 WeakPolarHBondContact O-CB 3.18Å; K1787-N1791 PolarHBondContact O-N 2.93Å |
| 1788 | L | 54.5 | Low | 60.5 | Low | 97 Ų | 97 | 68.4 Ų | 68.4 | 51% | 0.508 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 11.6 | 165.4 | -129.3 | 169.3 | 0 | 0 | 0 | 111.7 | L418 R1784 L1785 N1786 | L418-L1788 HydrophobicContact CD1-CD2 4.21Å; L418-L1788 WeakPolarHBondContact CD1-O 3.28Å; R1784-L1788 WeakPolarHBondContact O-CB 3.33Å; R1784-L1788 PolarHBondContact O-N 2.91Å; L1785-L1788 CarbonylContact O-C 3.02Å; L1785-L1788 PolarHBondContact O-N 2.86Å; N1786-L1788 VanDerWaalsContact C-N 3.27Å; N1786-L1788 PolarHBondContact O-N 3.29Å |
| 1789 | K | 60.7 | Low | 60.2 | Low | 27 Ų | 27 | 67.4 Ų | 67.4 | 12% | 0.117 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -106.9 | 8.7 | 144.5 | -153.4 | -178.7 | 169.5 | -74.1 | 0 | 110.1 | L418 P446 N448 V449 L1785 N1786 K1787 | L418-K1789 WeakPolarHBondContact CB-O 3.4Å; L418-K1789 HydrophobicContact CD2-CB 4.41Å; L418-K1789 HydrophobicContact CD2-CG 4.29Å; L418-K1789 WeakPolarHBondContact CD2-O 3.36Å; P446-K1789 PolarHBondContact O-NZ 3.44Å; N448-K1789 PolarHBondContact O-NZ 3.35Å; V449-K1789 HydrophobicContact CG2-CB 3.57Å; V449-K1789 HydrophobicContact CG2-CD 3.57Å; V449-K1789 HydrophobicContact CG2-CG 3.35Å; V449-K1789 VanDerWaalsContact CG2-NZ 3.27Å; V449-K1789 WeakPolarHBondContact CG2-O 3.47Å; L1785-K1789 PolarHBondContact O-N 3.35Å; N1786-K1789 CarbonylContact O-C 3.5Å; N1786-K1789 WeakPolarHBondContact O-CA 3.44Å; N1786-K1789 WeakPolarHBondContact O-CB 3.49Å; N1786-K1789 PolarHBondContact O-N 3.44Å; K1787-K1789 VanDerWaalsContact C-N 3.34Å |
| 1790 | S | 62.1 | Low | 59.7 | Low | 6 Ų | 6 | 65.6 Ų | 65.6 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -130 | 10.8 | 172.6 | 118.9 | 0 | 0 | 0 | 0 | 119.4 | T414 S415 L418 N1786 K1787 | T414-S1790 CarbonylContact C-O 3.53Å; S415-S1790 PolarHBondContact OG-OG 3.22Å; L418-S1790 WeakPolarHBondContact O-CA 3.38Å; N1786-S1790 WeakPolarHBondContact O-CB 3.12Å; N1786-S1790 PolarHBondContact O-N 3.43Å; K1787-S1790 WeakPolarHBondContact CA-OG 3.2Å; K1787-S1790 WeakPolarHBondContact CG-OG 3.45Å; K1787-S1790 CarbonylContact O-C 2.91Å; K1787-S1790 WeakPolarHBondContact O-CA 3.49Å; K1787-S1790 PolarHBondContact O-N 3.01Å; K1787-S1790 PolarHBondContact O-OG 2.79Å |
| 1791 | N | 59.7 | Low | 59.5 | Low | 38 Ų | 38 | 66.2 Ų | 66.2 | 20% | 0.203 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -121.8 | 5.6 | 179.4 | -95.7 | 29.7 | 0 | 0 | 0 | 123.3 | Y41 I413 N417 L418 K1787 | Y41-N1791 PolarHBondContact OH-O 3.35Å; I413-N1791 HydrophobicContact CG2-CB 3.82Å; I413-N1791 WeakPolarHBondContact CG2-O 3.26Å; N417-N1791 CarbonylContact O-C 2.99Å; N417-N1791 VanDerWaalsContact O-C 3.26Å; L418-N1791 HydrophobicContact CD1-CB 4.3Å; K1787-N1791 WeakPolarHBondContact CE-OD1 2.94Å; K1787-N1791 WeakPolarHBondContact O-CB 3.18Å; K1787-N1791 PolarHBondContact O-N 2.93Å |
| 1792 | L | 48.5 | Very low | 59.4 | Low | 63 Ų | 63 | 65.5 Ų | 65.5 | 33% | 0.33 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -153.2 | 1 | -179.5 | 119.4 | 178.5 | 0 | 0 | 0 | 117.7 | Y41 N417 L418 L421 S1795 | Y41-L1792 WeakPolarHBondContact OH-CB 3.12Å; N417-L1792 CarbonylContact O-C 3.26Å; N417-L1792 WeakPolarHBondContact O-CA 3.24Å; N417-L1792 PolarHBondContact O-N 3.47Å; L418-L1792 VanDerWaalsContact CB-N 3.35Å; L418-L1792 HydrophobicContact CD1-CB 4.27Å; L418-L1792 HydrophobicContact CD1-CD2 3.81Å; L418-L1792 HydrophobicContact CD2-CD2 4.18Å; L418-L1792 HydrophobicContact CG-CD2 3.84Å; L421-L1792 HydrophobicContact CD2-CD2 4.38Å; L1792-S1795 VanDerWaalsContact O-CB 3.23Å; L1792-S1795 WeakPolarHBondContact O-CB 3.43Å |
| 1793 | Q | 56.9 | Low | 59.3 | Low | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 51.4 | -171.5 | 105.5 | 162.3 | -59 | 0 | 0 | 111.5 | N417 L418 N419 I420 L421 | N417-Q1793 CarbonylContact O-C 3.26Å; N417-Q1793 PolarHBondContact O-N 3.38Å; L418-Q1793 CarbonylContact C-O 3.6Å; L418-Q1793 WeakPolarHBondContact CA-O 3.25Å; L418-Q1793 HydrophobicContact CB-CB 3.63Å; L418-Q1793 HydrophobicContact CB-CG 3.4Å; L418-Q1793 VanDerWaalsContact CB-N 3.33Å; L418-Q1793 HydrophobicContact CD2-CB 3.33Å; L418-Q1793 HydrophobicContact CD2-CG 3.07Å; L418-Q1793 HydrophobicContact CG-CB 3.24Å; L418-Q1793 HydrophobicContact CG-CG 3.33Å; N419-Q1793 VanDerWaalsContact C-OE1 3.22Å; N419-Q1793 VanDerWaalsContact CA-CG 3.49Å; N419-Q1793 PolarHBondContact N-O 3.2Å; N419-Q1793 PolarHBondContact O-NE2 2.92Å; N419-Q1793 PolarHBondContact O-OE1 3.29Å; I420-Q1793 CarbonylContact C-O 3.58Å; I420-Q1793 WeakPolarHBondContact CA-O 3.32Å; I420-Q1793 WeakPolarHBondContact CB-O 3.17Å; I420-Q1793 VanDerWaalsContact CG2-O 3.29Å; I420-Q1793 WeakPolarHBondContact CG2-O 3.44Å; I420-Q1793 CarbonylContact O-C 3.4Å; L421-Q1793 HydrophobicContact CB-CB 3.33Å; L421-Q1793 HydrophobicContact CB-CG 4.47Å; L421-Q1793 VanDerWaalsContact N-CG 3.27Å |
| 1794 | L | 64.8 | Low | 59.2 | Low | 44 Ų | 44 | 62.3 Ų | 62.3 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 74.8 | 149.5 | -161.4 | 135.7 | 0 | 0 | 0 | 107.1 | N416 N417 I420 W1798 | N416-L1794 HydrophobicContact CB-CD1 4.28Å; N416-L1794 VanDerWaalsContact O-CB 3.22Å; N416-L1794 WeakPolarHBondContact O-CB 3.16Å; N417-L1794 PolarHBondContact O-N 3.22Å; I420-L1794 HydrophobicContact CG2-CB 3.93Å; I420-L1794 HydrophobicContact CG2-CD1 3.64Å; I420-L1794 HydrophobicContact CG2-CG 3.61Å; L1794-W1798 HydrophobicContact CD2-CB 4.09Å |
| 1795 | S | 47.5 | Very low | 59.5 | Low | 10 Ų | 10 | 60.8 Ų | 60.8 | 7% | 0.07 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -166.5 | 1.4 | -144.5 | -108.5 | 0 | 0 | 0 | 0 | 117.1 | R48 L1792 L1799 | R48-S1795 PolarHBondContact NH1-OG 2.8Å; R48-S1795 PolarHBondContact NH2-O 2.92Å; R48-S1795 PolarHBondContact NH2-OG 3.1Å; R48-S1795 VanDerWaalsContact NH2-OG 3.17Å; L1792-S1795 VanDerWaalsContact O-CB 3.23Å; L1792-S1795 WeakPolarHBondContact O-CB 3.43Å; S1795-L1799 WeakPolarHBondContact O-CD1 3.44Å; S1795-L1799 WeakPolarHBondContact O-CG 3.35Å |
| 1796 | V | 55.3 | Low | 59.7 | Low | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | S | Bend | cis | 109.4 | -150.1 | -26.6 | -89.2 | 0 | 0 | 0 | 0 | 113 | I420 L421 C424 I427 W1798 L1799 Q1800 | I420-V1796 CarbonylContact O-C 3.11Å; I420-V1796 WeakPolarHBondContact O-CA 3.23Å; L421-V1796 VanDerWaalsContact CA-CG2 3.44Å; L421-V1796 HydrophobicContact CB-CB 3.83Å; L421-V1796 HydrophobicContact CB-CG2 3.34Å; L421-V1796 HydrophobicContact CD1-CG2 3.79Å; L421-V1796 HydrophobicContact CG-CB 4.37Å; L421-V1796 HydrophobicContact CG-CG2 3.34Å; C424-V1796 HydrophobicContact CB-CB 4.05Å; C424-V1796 HydrophobicContact CB-CG1 3.72Å; C424-V1796 HydrophobicContact CB-CG2 3.17Å; C424-V1796 VanDerWaalsContact N-CG1 3.33Å; C424-V1796 VanDerWaalsContact N-CG2 3.31Å; C424-V1796 WeakPolarHBondContact SG-CG1 3.42Å; C424-V1796 VanDerWaalsContact SG-CG2 3.58Å; I427-V1796 HydrophobicContact CD1-CG1 4.23Å; V1796-W1798 CarbonylContact O-C 3.6Å; V1796-W1798 WeakPolarHBondContact O-CA 3.32Å; V1796-W1798 PolarHBondContact O-N 3.45Å; V1796-L1799 HydrophobicContact CB-CB 4.45Å; V1796-L1799 HydrophobicContact CG1-CB 4.12Å; V1796-L1799 HydrophobicContact CG2-CD1 4.23Å; V1796-L1799 CarbonylContact O-C 3.14Å; V1796-L1799 WeakPolarHBondContact O-CA 3.4Å; V1796-L1799 VanDerWaalsContact O-CB 3.29Å; V1796-L1799 WeakPolarHBondContact O-CB 3.24Å; V1796-L1799 PolarHBondContact O-N 3.29Å; V1796-Q1800 HydrophobicContact CG1-CB 4.13Å; V1796-Q1800 PolarHBondContact O-N 2.92Å |
| 1797 | D | 57.7 | Low | 59.8 | Low | 51 Ų | 51 | 64.3 Ų | 64.3 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.8 | -10.9 | -156.8 | -52.2 | 24.7 | 0 | 0 | 0 | 111.3 | I420 Q1800 Q1801 | I420-D1797 VanDerWaalsContact CA-OD1 3.26Å; I420-D1797 WeakPolarHBondContact CA-OD1 3.23Å; I420-D1797 HydrophobicContact CB-CB 4.29Å; I420-D1797 HydrophobicContact CG1-CB 4.27Å; I420-D1797 HydrophobicContact CG2-CB 3.51Å; I420-D1797 PolarHBondContact O-N 2.87Å; I420-D1797 VanDerWaalsContact O-N 3.07Å; I420-D1797 VanDerWaalsContact O-OD1 3.1Å; D1797-Q1800 HydrophobicContact CB-CB 4.45Å; D1797-Q1800 PolarHBondContact O-N 3.32Å; D1797-Q1801 WeakPolarHBondContact O-CB 3.28Å; D1797-Q1801 PolarHBondContact O-N 2.82Å |
| 1798 | W | 64.5 | Low | 59.8 | Low | 100 Ų | 100 | 62.1 Ų | 62.1 | 38% | 0.379 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -54.4 | -54.7 | 146.1 | -178.7 | 84.1 | 0 | 0 | 0 | 119 | H52 L1794 V1796 Q1801 S1802 | H52-W1798 AromaticContact CE1-CH2 3.64Å; H52-W1798 AromaticContact NE2-CH2 3.59Å; L1794-W1798 HydrophobicContact CD2-CB 4.09Å; V1796-W1798 CarbonylContact O-C 3.6Å; V1796-W1798 WeakPolarHBondContact O-CA 3.32Å; V1796-W1798 PolarHBondContact O-N 3.45Å; W1798-Q1801 CarbonylContact O-C 3.35Å; W1798-Q1801 PolarHBondContact O-N 2.79Å; W1798-S1802 WeakPolarHBondContact O-CB 3.44Å; W1798-S1802 PolarHBondContact O-N 3.3Å; W1798-S1802 PolarHBondContact O-OG 2.85Å |
| 1799 | L | 46.8 | Very low | 60.7 | Low | 59 Ų | 59 | 61.7 Ų | 61.7 | 31% | 0.309 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56 | -36.5 | 159 | -77.1 | 177.7 | 0 | 0 | 0 | 114.4 | S1795 V1796 Q1801 S1802 I1803 | S1795-L1799 WeakPolarHBondContact O-CD1 3.44Å; S1795-L1799 WeakPolarHBondContact O-CG 3.35Å; V1796-L1799 HydrophobicContact CB-CB 4.45Å; V1796-L1799 HydrophobicContact CG1-CB 4.12Å; V1796-L1799 HydrophobicContact CG2-CD1 4.23Å; V1796-L1799 CarbonylContact O-C 3.14Å; V1796-L1799 WeakPolarHBondContact O-CA 3.4Å; V1796-L1799 VanDerWaalsContact O-CB 3.29Å; V1796-L1799 WeakPolarHBondContact O-CB 3.24Å; V1796-L1799 PolarHBondContact O-N 3.29Å; L1799-Q1801 VanDerWaalsContact C-N 3.35Å; L1799-S1802 CarbonylContact O-C 3.49Å; L1799-S1802 WeakPolarHBondContact O-CB 3.38Å; L1799-S1802 PolarHBondContact O-N 2.8Å; L1799-I1803 WeakPolarHBondContact O-CB 3.47Å; L1799-I1803 VanDerWaalsContact O-CG1 3.24Å; L1799-I1803 WeakPolarHBondContact O-CG1 3.5Å; L1799-I1803 PolarHBondContact O-N 3.11Å |
| 1800 | Q | 57.3 | Low | 61.3 | Low | 93 Ų | 93 | 63.9 Ų | 63.9 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 174.6 | -179.1 | 179.7 | -10.7 | 0 | 0 | 109.6 | I427 V1796 D1797 S1802 I1803 H1804 | I427-Q1800 HydrophobicContact CD1-CB 3.78Å; I427-Q1800 HydrophobicContact CD1-CG 3.69Å; V1796-Q1800 HydrophobicContact CG1-CB 4.13Å; V1796-Q1800 PolarHBondContact O-N 2.92Å; D1797-Q1800 HydrophobicContact CB-CB 4.45Å; D1797-Q1800 PolarHBondContact O-N 3.32Å; Q1800-S1802 VanDerWaalsContact C-N 3.28Å; Q1800-S1802 PolarHBondContact O-N 3.32Å; Q1800-I1803 PolarHBondContact O-N 3.09Å; Q1800-H1804 WeakPolarHBondContact O-CB 3.23Å; Q1800-H1804 PolarHBondContact O-N 3.1Å |
| 1801 | Q | 65.9 | Low | 61.9 | Low | 123 Ų | 123 | 66.5 Ų | 66.5 | 58% | 0.575 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.8 | -32 | 169.4 | -169.7 | 170.8 | 26.9 | 0 | 0 | 111.7 | D1797 W1798 L1799 H1804 L1805 | D1797-Q1801 WeakPolarHBondContact O-CB 3.28Å; D1797-Q1801 PolarHBondContact O-N 2.82Å; W1798-Q1801 CarbonylContact O-C 3.35Å; W1798-Q1801 PolarHBondContact O-N 2.79Å; L1799-Q1801 VanDerWaalsContact C-N 3.35Å; Q1801-H1804 PolarHBondContact O-N 2.84Å; Q1801-L1805 HydrophobicContact CG-CD1 4.23Å; Q1801-L1805 VanDerWaalsContact O-CB 3.25Å; Q1801-L1805 WeakPolarHBondContact O-CB 3.46Å; Q1801-L1805 WeakPolarHBondContact O-CD1 3.41Å; Q1801-L1805 WeakPolarHBondContact O-CG 3.34Å; Q1801-L1805 PolarHBondContact O-N 3.22Å |
| 1802 | S | 60.1 | Low | 63 | Low | 28 Ų | 28 | 66.3 Ų | 66.3 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.8 | -35.5 | 173.4 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | W1798 L1799 Q1800 Q1806 | W1798-S1802 WeakPolarHBondContact O-CB 3.44Å; W1798-S1802 PolarHBondContact O-N 3.3Å; W1798-S1802 PolarHBondContact O-OG 2.85Å; L1799-S1802 CarbonylContact O-C 3.49Å; L1799-S1802 WeakPolarHBondContact O-CB 3.38Å; L1799-S1802 PolarHBondContact O-N 2.8Å; Q1800-S1802 VanDerWaalsContact C-N 3.28Å; Q1800-S1802 PolarHBondContact O-N 3.32Å; S1802-Q1806 WeakPolarHBondContact O-CB 3.3Å; S1802-Q1806 VanDerWaalsContact O-CG 3.23Å; S1802-Q1806 WeakPolarHBondContact O-CG 3.31Å; S1802-Q1806 PolarHBondContact O-N 2.88Å |
| 1803 | I | 59.9 | Low | 64.5 | Low | 59 Ų | 59 | 64.5 Ų | 64.5 | 30% | 0.303 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.3 | -42.6 | 173.1 | -72 | 162.7 | 0 | 0 | 0 | 109.2 | L1799 Q1800 Q1806 Q1807 | L1799-I1803 WeakPolarHBondContact O-CB 3.47Å; L1799-I1803 VanDerWaalsContact O-CG1 3.24Å; L1799-I1803 WeakPolarHBondContact O-CG1 3.5Å; L1799-I1803 PolarHBondContact O-N 3.11Å; Q1800-I1803 PolarHBondContact O-N 3.09Å; I1803-Q1806 CarbonylContact O-C 3.51Å; I1803-Q1806 PolarHBondContact O-N 2.79Å; I1803-Q1807 HydrophobicContact CG2-CG 4.5Å; I1803-Q1807 WeakPolarHBondContact O-CB 3.31Å; I1803-Q1807 WeakPolarHBondContact O-CG 3.28Å; I1803-Q1807 PolarHBondContact O-N 3.49Å |
| 1804 | H | 65 | Low | 65.6 | Low | 109 Ų | 109 | 67.2 Ų | 67.2 | 51% | 0.505 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.1 | -50.5 | 172.7 | -172.1 | -71.9 | 0 | 0 | 0 | 110.9 | Q1800 Q1801 Q1806 Q1807 E1808 | Q1800-H1804 WeakPolarHBondContact O-CB 3.23Å; Q1800-H1804 PolarHBondContact O-N 3.1Å; Q1801-H1804 PolarHBondContact O-N 2.84Å; H1804-Q1806 PolarHBondContact O-N 2.75Å; H1804-Q1807 PolarHBondContact O-N 3.27Å; H1804-Q1807 VanDerWaalsContact O-N 3.11Å; H1804-E1808 IonicContact CE1-OE2 2.67Å; H1804-E1808 PolarHBondContact CE1-OE2 3.3Å; H1804-E1808 IonicContact ND1-OE2 3.09Å; H1804-E1808 PolarHBondContact ND1-OE2 2.74Å; H1804-E1808 VanDerWaalsContact ND1-OE2 3.11Å; H1804-E1808 WeakPolarHBondContact O-CB 3.38Å; H1804-E1808 PolarHBondContact O-N 2.89Å |
| 1805 | L | 69.6 | Low | 66.7 | Low | 98 Ų | 98 | 65.2 Ų | 65.2 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.5 | -31.5 | 176.1 | -73.2 | 166.6 | 0 | 0 | 0 | 112.2 | Q1801 Y1809 | Q1801-L1805 HydrophobicContact CG-CD1 4.23Å; Q1801-L1805 VanDerWaalsContact O-CB 3.25Å; Q1801-L1805 WeakPolarHBondContact O-CB 3.46Å; Q1801-L1805 WeakPolarHBondContact O-CD1 3.41Å; Q1801-L1805 WeakPolarHBondContact O-CG 3.34Å; Q1801-L1805 PolarHBondContact O-N 3.22Å; L1805-Y1809 WeakPolarHBondContact O-CB 3.39Å; L1805-Y1809 PolarHBondContact O-N 3.17Å |
| 1806 | Q | 63.1 | Low | 68.5 | Low | 118 Ų | 118 | 67.2 Ų | 67.2 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -71.5 | -43.1 | 171.3 | -80 | 176.4 | -7.8 | 0 | 0 | 112.3 | S1802 I1803 H1804 Y1809 I1810 | S1802-Q1806 WeakPolarHBondContact O-CB 3.3Å; S1802-Q1806 VanDerWaalsContact O-CG 3.23Å; S1802-Q1806 WeakPolarHBondContact O-CG 3.31Å; S1802-Q1806 PolarHBondContact O-N 2.88Å; I1803-Q1806 CarbonylContact O-C 3.51Å; I1803-Q1806 PolarHBondContact O-N 2.79Å; H1804-Q1806 PolarHBondContact O-N 2.75Å; Q1806-Y1809 PolarHBondContact O-N 2.77Å; Q1806-I1810 WeakPolarHBondContact O-CB 3.35Å; Q1806-I1810 WeakPolarHBondContact O-CD1 3.32Å; Q1806-I1810 WeakPolarHBondContact O-CG1 3.36Å; Q1806-I1810 PolarHBondContact O-N 3.11Å |
| 1807 | Q | 64.4 | Low | 69.9 | Low | 116 Ų | 116 | 70.8 Ų | 70.8 | 54% | 0.542 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 175.3 | -72.9 | 175.3 | -66.1 | 0 | 0 | 111.2 | I1803 H1804 I1810 T1811 | I1803-Q1807 HydrophobicContact CG2-CG 4.5Å; I1803-Q1807 WeakPolarHBondContact O-CB 3.31Å; I1803-Q1807 WeakPolarHBondContact O-CG 3.28Å; I1803-Q1807 PolarHBondContact O-N 3.49Å; H1804-Q1807 PolarHBondContact O-N 3.27Å; H1804-Q1807 VanDerWaalsContact O-N 3.11Å; Q1807-I1810 WeakPolarHBondContact O-CB 3.36Å; Q1807-I1810 PolarHBondContact O-N 2.8Å; Q1807-I1810 VanDerWaalsContact O-N 3.15Å; Q1807-T1811 PolarHBondContact O-N 3.26Å; Q1807-T1811 PolarHBondContact O-OG1 2.73Å |
| 1808 | E | 70.9 | Confident | 71.4 | Confident | 65 Ų | 65 | 68.9 Ų | 68.9 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 176.9 | -176.2 | 173.7 | -174.7 | 0 | 0 | 111.6 | H1804 T1811 N1812 | H1804-E1808 IonicContact CE1-OE2 2.67Å; H1804-E1808 PolarHBondContact CE1-OE2 3.3Å; H1804-E1808 IonicContact ND1-OE2 3.09Å; H1804-E1808 PolarHBondContact ND1-OE2 2.74Å; H1804-E1808 VanDerWaalsContact ND1-OE2 3.11Å; H1804-E1808 WeakPolarHBondContact O-CB 3.38Å; H1804-E1808 PolarHBondContact O-N 2.89Å; E1808-T1811 WeakPolarHBondContact CA-OG1 3.37Å; E1808-T1811 PolarHBondContact O-OG1 2.84Å; E1808-T1811 VanDerWaalsContact O-OG1 3.11Å; E1808-N1812 WeakPolarHBondContact O-CB 3.37Å; E1808-N1812 PolarHBondContact O-N 3.14Å; E1808-N1812 PolarHBondContact O-ND2 2.96Å |
| 1809 | Y | 73.4 | Confident | 72.6 | Confident | 87 Ų | 87 | 64.1 Ų | 64.1 | 34% | 0.341 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 169.1 | -179.9 | -84.6 | 0 | 0 | 0 | 111.5 | C77 F79 L1805 Q1806 N1812 R1813 | C77-Y1809 PolarHBondContact O-OH 3.3Å; F79-Y1809 HydrophobicContact CB-CE1 3.63Å; F79-Y1809 PolarHBondContact N-OH 2.99Å; L1805-Y1809 WeakPolarHBondContact O-CB 3.39Å; L1805-Y1809 PolarHBondContact O-N 3.17Å; Q1806-Y1809 PolarHBondContact O-N 2.77Å; Y1809-N1812 PolarHBondContact O-N 3.05Å; Y1809-R1813 HydrophobicContact CE1-CB 4.34Å; Y1809-R1813 WeakPolarHBondContact O-CB 3.13Å; Y1809-R1813 PolarHBondContact O-N 3.44Å |
| 1810 | I | 73.4 | Confident | 74.5 | Confident | 74 Ų | 74 | 64.5 Ų | 64.5 | 38% | 0.379 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 179.5 | -74.9 | 160.8 | 0 | 0 | 0 | 110.6 | N80 Q1806 Q1807 R1813 N1814 | N80-I1810 PolarHBondContact ND2-O 3.42Å; N80-I1810 WeakPolarHBondContact OD1-CG1 3.29Å; Q1806-I1810 WeakPolarHBondContact O-CB 3.35Å; Q1806-I1810 WeakPolarHBondContact O-CD1 3.32Å; Q1806-I1810 WeakPolarHBondContact O-CG1 3.36Å; Q1806-I1810 PolarHBondContact O-N 3.11Å; Q1807-I1810 WeakPolarHBondContact O-CB 3.36Å; Q1807-I1810 PolarHBondContact O-N 2.8Å; Q1807-I1810 VanDerWaalsContact O-N 3.15Å; I1810-R1813 PolarHBondContact O-N 2.91Å; I1810-N1814 VanDerWaalsContact O-CG 3.24Å; I1810-N1814 PolarHBondContact O-N 3.08Å; I1810-N1814 VanDerWaalsContact O-N 3.08Å; I1810-N1814 PolarHBondContact O-OD1 3.13Å; I1810-N1814 VanDerWaalsContact O-OD1 3.12Å |
| 1811 | T | 76.2 | Confident | 76 | Confident | 61 Ų | 61 | 67 Ų | 67 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 176.7 | 49.6 | 0 | 0 | 0 | 0 | 111.9 | Q1807 E1808 R1813 N1814 L1815 | Q1807-T1811 PolarHBondContact O-N 3.26Å; Q1807-T1811 PolarHBondContact O-OG1 2.73Å; E1808-T1811 WeakPolarHBondContact CA-OG1 3.37Å; E1808-T1811 PolarHBondContact O-OG1 2.84Å; E1808-T1811 VanDerWaalsContact O-OG1 3.11Å; T1811-R1813 VanDerWaalsContact C-N 3.33Å; T1811-R1813 PolarHBondContact O-N 3.01Å; T1811-N1814 PolarHBondContact O-N 2.72Å; T1811-L1815 WeakPolarHBondContact O-CB 3.05Å; T1811-L1815 VanDerWaalsContact O-CG 3.26Å; T1811-L1815 WeakPolarHBondContact O-CG 3.43Å; T1811-L1815 PolarHBondContact O-N 3.47Å |
| 1812 | N | 81.6 | Confident | 77.1 | Confident | 34 Ų | 34 | 62.2 Ų | 62.2 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 176.3 | -84.6 | -59.7 | 0 | 0 | 0 | 112.2 | E1808 Y1809 L1816 Q1916 | E1808-N1812 WeakPolarHBondContact O-CB 3.37Å; E1808-N1812 PolarHBondContact O-N 3.14Å; E1808-N1812 PolarHBondContact O-ND2 2.96Å; Y1809-N1812 PolarHBondContact O-N 3.05Å; N1812-L1816 VanDerWaalsContact O-CB 3.23Å; N1812-L1816 WeakPolarHBondContact O-CB 3.39Å; N1812-L1816 PolarHBondContact O-N 3.36Å; N1812-Q1916 PolarHBondContact ND2-NE2 3.45Å; N1812-Q1916 VanDerWaalsContact OD1-CG 3.27Å; N1812-Q1916 WeakPolarHBondContact OD1-CG 3.35Å; N1812-Q1916 PolarHBondContact OD1-NE2 3.23Å |
| 1813 | R | 80.8 | Confident | 78.5 | Confident | 24 Ų | 24 | 66.1 Ų | 66.1 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 174.3 | 177.4 | 178.4 | 160.4 | 162.7 | 2.2 | 111.4 | S78 T81 Y1809 I1810 T1811 L1815 L1816 E1817 | S78-R1813 VanDerWaalsContact CB-CZ 3.44Å; S78-R1813 VanDerWaalsContact CB-NH1 3.28Å; S78-R1813 PolarHBondContact O-NH1 3.34Å; S78-R1813 PolarHBondContact OG-NH1 3.22Å; S78-R1813 VanDerWaalsContact OG-NH1 3.13Å; T81-R1813 PolarHBondContact OG1-NH1 2.88Å; T81-R1813 PolarHBondContact OG1-NH2 2.86Å; Y1809-R1813 HydrophobicContact CE1-CB 4.34Å; Y1809-R1813 WeakPolarHBondContact O-CB 3.13Å; Y1809-R1813 PolarHBondContact O-N 3.44Å; I1810-R1813 PolarHBondContact O-N 2.91Å; T1811-R1813 VanDerWaalsContact C-N 3.33Å; T1811-R1813 PolarHBondContact O-N 3.01Å; R1813-L1815 PolarHBondContact O-N 3.04Å; R1813-L1816 PolarHBondContact O-N 3.11Å; R1813-E1817 IonicContact CZ-OE1 2.69Å; R1813-E1817 IonicContact NE-OE1 3.88Å; R1813-E1817 PolarHBondContact NE-OE1 2.72Å; R1813-E1817 IonicContact NH2-OE1 3.96Å; R1813-E1817 PolarHBondContact NH2-OE1 3.42Å; R1813-E1817 PolarHBondContact O-N 2.69Å |
| 1814 | N | 80.2 | Confident | 79.8 | Confident | 57 Ų | 57 | 70 Ų | 70 | 31% | 0.305 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | -178.1 | -65.8 | 8.8 | 0 | 0 | 0 | 111.5 | N80 I1810 T1811 E1817 F1818 | N80-N1814 PolarHBondContact ND2-OD1 3.02Å; N80-N1814 VanDerWaalsContact ND2-OD1 3.16Å; I1810-N1814 VanDerWaalsContact O-CG 3.24Å; I1810-N1814 PolarHBondContact O-N 3.08Å; I1810-N1814 VanDerWaalsContact O-N 3.08Å; I1810-N1814 PolarHBondContact O-OD1 3.13Å; I1810-N1814 VanDerWaalsContact O-OD1 3.12Å; T1811-N1814 PolarHBondContact O-N 2.72Å; N1814-E1817 PolarHBondContact O-N 3.44Å; N1814-F1818 PolarHBondContact O-N 3.01Å |
| 1815 | L | 87.1 | Confident | 81 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 173.4 | -71 | 169.2 | 0 | 0 | 0 | 111.9 | T1811 R1813 F1818 I1819 W1864 Q1916 L1917 L1920 | T1811-L1815 WeakPolarHBondContact O-CB 3.05Å; T1811-L1815 VanDerWaalsContact O-CG 3.26Å; T1811-L1815 WeakPolarHBondContact O-CG 3.43Å; T1811-L1815 PolarHBondContact O-N 3.47Å; R1813-L1815 PolarHBondContact O-N 3.04Å; L1815-F1818 PolarHBondContact O-N 2.8Å; L1815-I1819 WeakPolarHBondContact O-CB 3Å; L1815-I1819 WeakPolarHBondContact O-CG1 3.39Å; L1815-I1819 PolarHBondContact O-N 2.81Å; L1815-W1864 HydrophobicContact CD2-CD2 4.16Å; L1815-W1864 HydrophobicContact CD2-CE3 4.12Å; L1815-W1864 HydrophobicContact CD2-CH2 3.68Å; L1815-W1864 HydrophobicContact CD2-CZ2 3.69Å; L1815-W1864 HydrophobicContact CD2-CZ3 3.89Å; L1815-W1864 HydrophobicContact CG-CH2 4.44Å; L1815-Q1916 HydrophobicContact CD1-CB 3.84Å; L1815-Q1916 HydrophobicContact CD1-CG 3.91Å; L1815-L1917 HydrophobicContact CD2-CB 4.07Å; L1815-L1917 HydrophobicContact CD2-CD1 4.08Å; L1815-L1920 HydrophobicContact CB-CD1 3.63Å; L1815-L1920 HydrophobicContact CD1-CD1 4.22Å |
| 1816 | L | 86.5 | Confident | 81.9 | Confident | 53 Ų | 53 | 61.2 Ų | 61.2 | 28% | 0.277 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.8 | -35.9 | 176.7 | -173.2 | 64.2 | 0 | 0 | 0 | 112 | N1812 R1813 I1819 N1820 | N1812-L1816 VanDerWaalsContact O-CB 3.23Å; N1812-L1816 WeakPolarHBondContact O-CB 3.39Å; N1812-L1816 PolarHBondContact O-N 3.36Å; R1813-L1816 PolarHBondContact O-N 3.11Å; L1816-I1819 PolarHBondContact O-N 2.85Å; L1816-N1820 WeakPolarHBondContact O-CB 3.5Å; L1816-N1820 PolarHBondContact O-N 3.33Å; L1816-N1820 PolarHBondContact O-ND2 3.46Å |
| 1817 | E | 84.1 | Confident | 82.9 | Confident | 76 Ų | 76 | 60.2 Ų | 60.2 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 172 | -75.7 | 179.1 | -164.8 | 0 | 0 | 111.5 | R1813 N1814 N1820 Q1821 | R1813-E1817 IonicContact CZ-OE1 2.69Å; R1813-E1817 IonicContact NE-OE1 3.88Å; R1813-E1817 PolarHBondContact NE-OE1 2.72Å; R1813-E1817 IonicContact NH2-OE1 3.96Å; R1813-E1817 PolarHBondContact NH2-OE1 3.42Å; R1813-E1817 PolarHBondContact O-N 2.69Å; N1814-E1817 PolarHBondContact O-N 3.44Å; E1817-N1820 PolarHBondContact O-N 3.05Å; E1817-Q1821 VanDerWaalsContact O-CG 3.31Å; E1817-Q1821 WeakPolarHBondContact O-CG 3.33Å; E1817-Q1821 PolarHBondContact O-N 2.89Å |
| 1818 | F | 89.3 | Confident | 84 | Confident | 10 Ų | 10 | 57 Ų | 57 | 4% | 0.044 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 173.8 | 169.4 | -92.7 | 0 | 0 | 0 | 113.3 | N1814 L1815 Q1821 N1822 M1860 K1863 W1864 L1917 | N1814-F1818 PolarHBondContact O-N 3.01Å; L1815-F1818 PolarHBondContact O-N 2.8Å; F1818-Q1821 PolarHBondContact O-N 3.45Å; F1818-N1822 VanDerWaalsContact CE2-ND2 3.33Å; F1818-N1822 WeakPolarHBondContact CE2-ND2 3.4Å; F1818-N1822 WeakPolarHBondContact O-CB 3.31Å; F1818-N1822 PolarHBondContact O-N 3.17Å; F1818-N1822 PolarHBondContact O-ND2 3.26Å; F1818-M1860 HydrophobicContact CE1-SD 3.82Å; F1818-M1860 HydrophobicContact CZ-SD 4.39Å; F1818-K1863 HydrophobicContact CE2-CB 4.29Å; F1818-K1863 HydrophobicContact CZ-CB 3.81Å; F1818-W1864 HydrophobicContact CB-CE3 4.12Å; F1818-W1864 HydrophobicContact CB-CZ3 3.79Å; F1818-W1864 AromaticContact CD1-CE3 3.72Å; F1818-W1864 HydrophobicContact CD1-CE3 3.72Å; F1818-W1864 HydrophobicContact CD1-CZ3 4.25Å; F1818-W1864 AromaticContact CD2-CE3 3.7Å; F1818-W1864 HydrophobicContact CD2-CE3 3.7Å; F1818-W1864 HydrophobicContact CD2-CZ3 4.06Å; F1818-W1864 HydrophobicContact CE1-CB 4.16Å; F1818-W1864 HydrophobicContact CE1-CE3 4.01Å; F1818-W1864 AromaticContact CE2-CE3 3.97Å; F1818-W1864 HydrophobicContact CE2-CE3 3.97Å; F1818-W1864 AromaticContact CG-CE3 3.56Å; F1818-W1864 HydrophobicContact CG-CE3 3.56Å; F1818-W1864 AromaticContact CG-CZ3 3.78Å; F1818-W1864 HydrophobicContact CG-CZ3 3.78Å; F1818-W1864 HydrophobicContact CZ-CB 3.91Å; F1818-W1864 HydrophobicContact CZ-CE3 4.12Å; F1818-L1917 HydrophobicContact CD1-CD1 4.02Å; F1818-L1917 HydrophobicContact CE1-CD1 4.07Å; F1818-L1917 HydrophobicContact CE1-CD2 4.46Å |
| 1819 | I | 88.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 173.7 | -80.5 | 169.9 | 0 | 0 | 0 | 110.7 | L1815 L1816 N1822 R1823 F1826 L1917 L1920 V1921 | L1815-I1819 WeakPolarHBondContact O-CB 3Å; L1815-I1819 WeakPolarHBondContact O-CG1 3.39Å; L1815-I1819 PolarHBondContact O-N 2.81Å; L1816-I1819 PolarHBondContact O-N 2.85Å; I1819-N1822 CarbonylContact O-C 3.55Å; I1819-N1822 PolarHBondContact O-N 3.18Å; I1819-R1823 PolarHBondContact O-N 3.5Å; I1819-R1823 VanDerWaalsContact O-N 3.16Å; I1819-F1826 HydrophobicContact CG2-CE2 3.93Å; I1819-F1826 HydrophobicContact CG2-CZ 4.21Å; I1819-L1917 HydrophobicContact CD1-CD1 4.06Å; I1819-L1917 HydrophobicContact CG1-CD1 4.01Å; I1819-L1920 HydrophobicContact CD1-CB 3.39Å; I1819-L1920 HydrophobicContact CD1-CD1 4.28Å; I1819-L1920 HydrophobicContact CD1-CG 4.48Å; I1819-V1921 HydrophobicContact CD1-CG2 4.18Å; I1819-V1921 HydrophobicContact CG1-CG2 4.42Å |
| 1820 | N | 87.3 | Confident | 85.3 | Confident | 66 Ų | 66 | 52.5 Ų | 52.5 | 35% | 0.353 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 177.1 | -83.3 | -80.5 | 0 | 0 | 0 | 112.5 | L1816 E1817 N1822 R1823 | L1816-N1820 WeakPolarHBondContact O-CB 3.5Å; L1816-N1820 PolarHBondContact O-N 3.33Å; L1816-N1820 PolarHBondContact O-ND2 3.46Å; E1817-N1820 PolarHBondContact O-N 3.05Å; N1820-N1822 PolarHBondContact O-N 3.5Å; N1820-R1823 WeakPolarHBondContact O-CB 3.44Å; N1820-R1823 PolarHBondContact O-N 3.47Å; N1820-R1823 PolarHBondContact OD1-NH1 2.92Å |
| 1821 | Q | 88.1 | Confident | 85.9 | Confident | 146 Ų | 146 | 54.9 Ų | 54.9 | 68% | 0.682 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.5 | -35.1 | 171.7 | -70.3 | 166.9 | 9.1 | 0 | 0 | 111.9 | E1817 F1818 | E1817-Q1821 VanDerWaalsContact O-CG 3.31Å; E1817-Q1821 WeakPolarHBondContact O-CG 3.33Å; E1817-Q1821 PolarHBondContact O-N 2.89Å; F1818-Q1821 PolarHBondContact O-N 3.45Å |
| 1822 | N | 89.2 | Confident | 86.2 | Confident | 22 Ų | 22 | 55.4 Ų | 55.4 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 17 | -178.6 | -76.7 | -76.5 | 0 | 0 | 0 | 114.7 | F1818 I1819 N1820 K1824 L1825 M1860 K1863 | F1818-N1822 VanDerWaalsContact CE2-ND2 3.33Å; F1818-N1822 WeakPolarHBondContact CE2-ND2 3.4Å; F1818-N1822 WeakPolarHBondContact O-CB 3.31Å; F1818-N1822 PolarHBondContact O-N 3.17Å; F1818-N1822 PolarHBondContact O-ND2 3.26Å; I1819-N1822 CarbonylContact O-C 3.55Å; I1819-N1822 PolarHBondContact O-N 3.18Å; N1820-N1822 PolarHBondContact O-N 3.5Å; N1822-K1824 PolarHBondContact O-N 3.5Å; N1822-L1825 HydrophobicContact CB-CD1 4.44Å; N1822-L1825 WeakPolarHBondContact O-CB 3.49Å; N1822-L1825 PolarHBondContact O-N 3.29Å; N1822-M1860 HydrophobicContact CB-CE 3.67Å; N1822-M1860 HydrophobicContact CB-SD 3.83Å; N1822-K1863 WeakPolarHBondContact OD1-CD 3.47Å; N1822-K1863 PolarHBondContact OD1-NZ 2.9Å |
| 1823 | R | 89.1 | Confident | 86.1 | Confident | 110 Ų | 110 | 55.5 Ų | 55.5 | 42% | 0.415 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -23.9 | -177.2 | -108.7 | -178.3 | 168.9 | 156.3 | 1.9 | 115.4 | I1819 N1820 L1825 F1826 I1827 E1924 | I1819-R1823 PolarHBondContact O-N 3.5Å; I1819-R1823 VanDerWaalsContact O-N 3.16Å; N1820-R1823 WeakPolarHBondContact O-CB 3.44Å; N1820-R1823 PolarHBondContact O-N 3.47Å; N1820-R1823 PolarHBondContact OD1-NH1 2.92Å; R1823-L1825 PolarHBondContact O-N 3.04Å; R1823-F1826 PolarHBondContact O-N 3.31Å; R1823-I1827 PolarHBondContact O-N 3.08Å; R1823-E1924 IonicContact NH2-OE1 2.67Å; R1823-E1924 IonicContact NH2-OE2 2.68Å; R1823-E1924 PolarHBondContact NH2-OE2 3.46Å |
| 1824 | K | 88.7 | Confident | 85.9 | Confident | 142 Ų | 142 | 59.5 Ų | 59.5 | 62% | 0.617 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -55.3 | -35 | 172.4 | -169.7 | 176.8 | -177.7 | -78.6 | 0 | 112.7 | N1822 F1826 I1827 E1828 | N1822-K1824 PolarHBondContact O-N 3.5Å; K1824-F1826 VanDerWaalsContact C-N 3.32Å; K1824-F1826 PolarHBondContact O-N 3.18Å; K1824-I1827 PolarHBondContact O-N 3.46Å; K1824-I1827 VanDerWaalsContact O-N 3.16Å; K1824-E1828 IonicContact NZ-OE1 2.63Å; K1824-E1828 PolarHBondContact NZ-OE1 3.01Å; K1824-E1828 WeakPolarHBondContact O-CG 3.17Å; K1824-E1828 PolarHBondContact O-N 2.87Å |
| 1825 | L | 88.9 | Confident | 85.7 | Confident | 11 Ų | 11 | 58.7 Ų | 58.7 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.3 | -31.6 | 177.4 | -65.4 | -177.5 | 0 | 0 | 0 | 113 | N1822 R1823 E1828 F1829 L1856 K1859 M1860 K1863 | N1822-L1825 HydrophobicContact CB-CD1 4.44Å; N1822-L1825 WeakPolarHBondContact O-CB 3.49Å; N1822-L1825 PolarHBondContact O-N 3.29Å; R1823-L1825 PolarHBondContact O-N 3.04Å; L1825-E1828 WeakPolarHBondContact CD2-OE2 3.34Å; L1825-F1829 WeakPolarHBondContact O-CB 3.35Å; L1825-F1829 PolarHBondContact O-N 3.46Å; L1825-L1856 HydrophobicContact CB-CD1 3.89Å; L1825-K1859 HydrophobicContact CD1-CB 4.2Å; L1825-K1859 HydrophobicContact CD2-CD 4.27Å; L1825-M1860 HydrophobicContact CB-CE 4.47Å; L1825-M1860 HydrophobicContact CD1-CE 4.24Å; L1825-M1860 HydrophobicContact CD1-CG 4.18Å; L1825-M1860 HydrophobicContact CD1-SD 3.84Å; L1825-K1863 HydrophobicContact CD1-CD 4.09Å |
| 1826 | F | 88.4 | Confident | 84.2 | Confident | 10 Ų | 10 | 65.6 Ų | 65.6 | 4% | 0.044 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -74.6 | -32.7 | 172.9 | -68.3 | -92.3 | 0 | 0 | 0 | 111.6 | I1819 R1823 K1824 F1829 H1830 L1856 M1860 V1921 E1924 I1925 | I1819-F1826 HydrophobicContact CG2-CE2 3.93Å; I1819-F1826 HydrophobicContact CG2-CZ 4.21Å; R1823-F1826 PolarHBondContact O-N 3.31Å; K1824-F1826 VanDerWaalsContact C-N 3.32Å; K1824-F1826 PolarHBondContact O-N 3.18Å; F1826-F1829 PolarHBondContact O-N 3.4Å; F1826-H1830 WeakPolarHBondContact O-CB 3.44Å; F1826-H1830 PolarHBondContact O-CD2 3.41Å; F1826-H1830 PolarHBondContact O-N 3.13Å; F1826-L1856 HydrophobicContact CD1-CD2 4.12Å; F1826-L1856 HydrophobicContact CE1-CD2 4.16Å; F1826-M1860 HydrophobicContact CD2-CE 3.98Å; F1826-M1860 HydrophobicContact CE2-CE 3.3Å; F1826-M1860 HydrophobicContact CZ-CE 4.06Å; F1826-V1921 HydrophobicContact CE1-CG1 4.25Å; F1826-V1921 HydrophobicContact CZ-CB 4.45Å; F1826-V1921 HydrophobicContact CZ-CG1 4.23Å; F1826-V1921 HydrophobicContact CZ-CG2 4.19Å; F1826-E1924 HydrophobicContact CD1-CB 4.42Å; F1826-E1924 HydrophobicContact CE1-CB 3.85Å; F1826-E1924 HydrophobicContact CZ-CB 4.39Å; F1826-I1925 HydrophobicContact CD1-CG2 3.97Å; F1826-I1925 HydrophobicContact CE1-CG2 3.93Å |
| 1827 | I | 85.8 | Confident | 82.7 | Confident | 97 Ų | 97 | 69.7 Ų | 69.7 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 173.8 | -60.7 | 171.3 | 0 | 0 | 0 | 110.1 | R1823 K1824 H1830 Q1831 | R1823-I1827 PolarHBondContact O-N 3.08Å; K1824-I1827 PolarHBondContact O-N 3.46Å; K1824-I1827 VanDerWaalsContact O-N 3.16Å; I1827-H1830 PolarHBondContact O-N 2.84Å; I1827-Q1831 WeakPolarHBondContact O-CG 3.32Å; I1827-Q1831 PolarHBondContact O-N 3.48Å |
| 1828 | E | 86.6 | Confident | 81.4 | Confident | 49 Ų | 49 | 66.8 Ų | 66.8 | 23% | 0.229 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.9 | -51.8 | 172.5 | -71.7 | 165.6 | -160.7 | 0 | 0 | 111 | K1824 L1825 H1830 Q1831 E1832 | K1824-E1828 IonicContact NZ-OE1 2.63Å; K1824-E1828 PolarHBondContact NZ-OE1 3.01Å; K1824-E1828 WeakPolarHBondContact O-CG 3.17Å; K1824-E1828 PolarHBondContact O-N 2.87Å; L1825-E1828 WeakPolarHBondContact CD2-OE2 3.34Å; E1828-H1830 VanDerWaalsContact C-N 3.32Å; E1828-H1830 PolarHBondContact O-N 3.16Å; E1828-Q1831 PolarHBondContact O-N 3.29Å; E1828-E1832 WeakPolarHBondContact O-CG 3.23Å; E1828-E1832 PolarHBondContact O-N 3.15Å |
| 1829 | F | 88.5 | Confident | 79.9 | Confident | 3 Ų | 3 | 71 Ų | 71 | 1% | 0.013 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.8 | -40.7 | 175.7 | 168.9 | -95.9 | 0 | 0 | 0 | 112.9 | L1825 F1826 E1832 F1833 L1852 V1853 L1856 I1925 | L1825-F1829 WeakPolarHBondContact O-CB 3.35Å; L1825-F1829 PolarHBondContact O-N 3.46Å; F1826-F1829 PolarHBondContact O-N 3.4Å; F1829-E1832 PolarHBondContact O-N 3.34Å; F1829-F1833 HydrophobicContact CZ-CD2 4.14Å; F1829-F1833 WeakPolarHBondContact O-CB 3.35Å; F1829-F1833 PolarHBondContact O-N 3.32Å; F1829-L1852 HydrophobicContact CD2-CB 4.12Å; F1829-L1852 HydrophobicContact CE2-CB 3.91Å; F1829-V1853 HydrophobicContact CE2-CG2 3.87Å; F1829-V1853 HydrophobicContact CZ-CG2 4.02Å; F1829-L1856 HydrophobicContact CB-CD1 4.37Å; F1829-L1856 HydrophobicContact CB-CD2 4.06Å; F1829-L1856 HydrophobicContact CD1-CD2 4.18Å; F1829-L1856 HydrophobicContact CD2-CB 4.3Å; F1829-L1856 HydrophobicContact CD2-CD2 4.04Å; F1829-L1856 HydrophobicContact CG-CD2 3.82Å; F1829-I1925 HydrophobicContact CD1-CG2 4.15Å; F1829-I1925 HydrophobicContact CE1-CB 4.2Å; F1829-I1925 HydrophobicContact CE1-CG2 3.78Å; F1829-I1925 HydrophobicContact CZ-CG2 4.38Å |
| 1830 | H | 84.1 | Confident | 78.7 | Confident | 55 Ų | 55 | 73.6 Ų | 73.6 | 26% | 0.255 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 177.4 | -83.2 | -55.2 | 0 | 0 | 0 | 112.1 | F1826 I1827 E1828 F1833 T1834 F1928 | F1826-H1830 WeakPolarHBondContact O-CB 3.44Å; F1826-H1830 PolarHBondContact O-CD2 3.41Å; F1826-H1830 PolarHBondContact O-N 3.13Å; I1827-H1830 PolarHBondContact O-N 2.84Å; E1828-H1830 VanDerWaalsContact C-N 3.32Å; E1828-H1830 PolarHBondContact O-N 3.16Å; H1830-F1833 PolarHBondContact O-N 3.38Å; H1830-T1834 WeakPolarHBondContact O-CG2 3.37Å; H1830-T1834 PolarHBondContact O-N 2.99Å; H1830-T1834 PolarHBondContact O-OG1 3.18Å; H1830-F1928 AromaticContact CE1-CD1 3.89Å; H1830-F1928 AromaticContact CE1-CD2 3.67Å; H1830-F1928 AromaticContact CE1-CE1 3.68Å; H1830-F1928 AromaticContact CE1-CE2 3.46Å; H1830-F1928 VanDerWaalsContact CE1-CE2 3.46Å; H1830-F1928 WeakPolarHBondContact CE1-CE2 3.47Å; H1830-F1928 AromaticContact CE1-CG 3.89Å; H1830-F1928 AromaticContact CE1-CZ 3.46Å; H1830-F1928 VanDerWaalsContact CE1-CZ 3.46Å; H1830-F1928 WeakPolarHBondContact CE1-CZ 3.25Å; H1830-F1928 AromaticContact NE2-CE2 3.97Å |
| 1831 | Q | 84.7 | Confident | 78 | Confident | 124 Ų | 124 | 75.7 Ų | 75.7 | 58% | 0.579 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.6 | -41.2 | 175.9 | -71.4 | 173.1 | -38.5 | 0 | 0 | 111.7 | I1827 E1828 S1835 | I1827-Q1831 WeakPolarHBondContact O-CG 3.32Å; I1827-Q1831 PolarHBondContact O-N 3.48Å; E1828-Q1831 PolarHBondContact O-N 3.29Å; Q1831-S1835 PolarHBondContact O-N 3.29Å |
| 1832 | E | 82.3 | Confident | 77.5 | Confident | 71 Ų | 71 | 72 Ų | 72 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 172.5 | -69.9 | 168.2 | 170.5 | 0 | 0 | 111 | E1828 F1829 S1835 L1838 L1852 | E1828-E1832 WeakPolarHBondContact O-CG 3.23Å; E1828-E1832 PolarHBondContact O-N 3.15Å; F1829-E1832 PolarHBondContact O-N 3.34Å; E1832-S1835 WeakPolarHBondContact O-CB 3.17Å; E1832-S1835 PolarHBondContact O-N 3.36Å; E1832-S1835 PolarHBondContact O-OG 2.8Å; E1832-L1838 WeakPolarHBondContact O-CD1 3.43Å; E1832-L1852 HydrophobicContact CB-CD1 4.23Å; E1832-L1852 HydrophobicContact CB-CD2 3.87Å; E1832-L1852 HydrophobicContact CG-CD2 4.4Å; E1832-L1852 WeakPolarHBondContact OE2-CD2 3.45Å |
| 1833 | F | 80.2 | Confident | 76.9 | Confident | 37 Ų | 37 | 75.6 Ų | 75.6 | 16% | 0.162 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -73.7 | -29.3 | -179.4 | -174.8 | -86.6 | 0 | 0 | 0 | 114.4 | F1829 H1830 L1838 V1849 F1928 V1929 | F1829-F1833 HydrophobicContact CZ-CD2 4.14Å; F1829-F1833 WeakPolarHBondContact O-CB 3.35Å; F1829-F1833 PolarHBondContact O-N 3.32Å; H1830-F1833 PolarHBondContact O-N 3.38Å; F1833-L1838 HydrophobicContact CD2-CD2 4.45Å; F1833-L1838 WeakPolarHBondContact O-CD2 3.36Å; F1833-V1849 HydrophobicContact CD2-CG1 4.44Å; F1833-V1849 HydrophobicContact CD2-CG2 3.99Å; F1833-V1849 HydrophobicContact CE2-CG1 3.95Å; F1833-V1849 HydrophobicContact CE2-CG2 3.72Å; F1833-F1928 HydrophobicContact CE1-CB 4.21Å; F1833-F1928 HydrophobicContact CZ-CB 4.21Å; F1833-F1928 WeakPolarHBondContact CZ-O 3.49Å; F1833-V1929 HydrophobicContact CE2-CG1 4.46Å |
| 1834 | T | 76.6 | Confident | 76.5 | Confident | 107 Ų | 107 | 74.7 Ų | 74.7 | 66% | 0.656 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 7.4 | 175.6 | 61.8 | 0 | 0 | 0 | 0 | 113.3 | H1830 | H1830-T1834 WeakPolarHBondContact O-CG2 3.37Å; H1830-T1834 PolarHBondContact O-N 2.99Å; H1830-T1834 PolarHBondContact O-OG1 3.18Å |
| 1835 | S | 75 | Confident | 76.1 | Confident | 41 Ų | 41 | 70.8 Ų | 70.8 | 29% | 0.287 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -71.1 | 144.3 | 178.4 | 67 | 0 | 0 | 0 | 0 | 112.1 | Q1831 E1832 E1837 L1838 | Q1831-S1835 PolarHBondContact O-N 3.29Å; E1832-S1835 WeakPolarHBondContact O-CB 3.17Å; E1832-S1835 PolarHBondContact O-N 3.36Å; E1832-S1835 PolarHBondContact O-OG 2.8Å; S1835-E1837 PolarHBondContact O-N 2.96Å; S1835-L1838 PolarHBondContact O-N 3.35Å; S1835-L1838 WeakPolarHBondContact OG-CD1 3.38Å |
| 1836 | D | 57.1 | Low | 75.9 | Confident | 147 Ų | 147 | 70.9 Ų | 70.9 | 79% | 0.786 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -61.3 | -15.5 | -177.9 | -69.6 | -54.9 | 0 | 0 | 0 | 113.7 | L1838 S1839 | D1836-L1838 PolarHBondContact O-N 3.23Å; D1836-S1839 WeakPolarHBondContact O-CB 3.22Å; D1836-S1839 PolarHBondContact O-N 3.32Å; D1836-S1839 PolarHBondContact O-OG 3.45Å |
| 1837 | E | 54.8 | Low | 75.7 | Confident | 139 Ų | 139 | 72.6 Ų | 72.6 | 65% | 0.65 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -61 | -22.6 | 172.7 | -61.1 | -166.3 | 158.7 | 0 | 0 | 112.8 | S1835 S1839 C1840 M1848 | S1835-E1837 PolarHBondContact O-N 2.96Å; E1837-S1839 PolarHBondContact O-N 3.38Å; E1837-C1840 PolarHBondContact O-N 3.34Å; E1837-C1840 PolarHBondContact O-SG 3.13Å; E1837-M1848 HydrophobicContact CB-CE 4.05Å |
| 1838 | L | 57.2 | Low | 75.6 | Confident | 14 Ų | 14 | 70.3 Ų | 70.3 | 7% | 0.073 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -74 | 1 | 172.5 | -76.9 | 85.6 | 0 | 0 | 0 | 113.6 | E1832 F1833 S1835 D1836 C1840 R1845 M1848 V1849 | E1832-L1838 WeakPolarHBondContact O-CD1 3.43Å; F1833-L1838 HydrophobicContact CD2-CD2 4.45Å; F1833-L1838 WeakPolarHBondContact O-CD2 3.36Å; S1835-L1838 PolarHBondContact O-N 3.35Å; S1835-L1838 WeakPolarHBondContact OG-CD1 3.38Å; D1836-L1838 PolarHBondContact O-N 3.23Å; L1838-C1840 PolarHBondContact O-N 2.96Å; L1838-C1840 VanDerWaalsContact O-N 3.14Å; L1838-R1845 HydrophobicContact CB-CG 4.31Å; L1838-R1845 HydrophobicContact CD2-CG 3.94Å; L1838-R1845 HydrophobicContact CG-CG 4.27Å; L1838-R1845 VanDerWaalsContact O-CZ 3.23Å; L1838-R1845 PolarHBondContact O-NE 2.9Å; L1838-R1845 PolarHBondContact O-NH2 2.85Å; L1838-M1848 HydrophobicContact CD1-CE 4.24Å; L1838-M1848 HydrophobicContact CG-CE 4.41Å; L1838-V1849 HydrophobicContact CD2-CG2 3.76Å |
| 1839 | S | 56.6 | Low | 75.7 | Confident | 100 Ų | 100 | 68 Ų | 68 | 70% | 0.699 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -62.7 | -9.7 | 166.6 | 59.5 | 0 | 0 | 0 | 0 | 114 | D1836 E1837 | D1836-S1839 WeakPolarHBondContact O-CB 3.22Å; D1836-S1839 PolarHBondContact O-N 3.32Å; D1836-S1839 PolarHBondContact O-OG 3.45Å; E1837-S1839 PolarHBondContact O-N 3.38Å |
| 1840 | C | 63 | Low | 75.6 | Confident | 55 Ų | 55 | 69.3 Ų | 69.3 | 37% | 0.372 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -58.7 | 160.3 | 176 | -70.6 | 0 | 0 | 0 | 0 | 115.5 | E1837 L1838 L1844 | E1837-C1840 PolarHBondContact O-N 3.34Å; E1837-C1840 PolarHBondContact O-SG 3.13Å; L1838-C1840 PolarHBondContact O-N 2.96Å; L1838-C1840 VanDerWaalsContact O-N 3.14Å; C1840-L1844 HydrophobicContact CB-CB 4.27Å |
| 1841 | D | 74.1 | Confident | 75.8 | Confident | 110 Ų | 110 | 72 Ų | 72 | 59% | 0.588 | 38% | 0.377 | S | S | * | . | trans | -41.6 | 133.5 | 172.9 | -156.9 | 34.8 | 0 | 0 | 0 | 112.3 | K1843 L1844 R1845 | D1841-K1843 PolarHBondContact O-N 2.99Å; D1841-L1844 HydrophobicContact CB-CD1 4.25Å; D1841-L1844 WeakPolarHBondContact O-CA 3.3Å; D1841-L1844 WeakPolarHBondContact O-CB 3.46Å; D1841-L1844 PolarHBondContact O-N 2.87Å; D1841-R1845 PolarHBondContact O-N 3.23Å | ||
| 1842 | P | 75.7 | Confident | 76 | Confident | 68 Ų | 68 | 67.2 Ų | 67.2 | 44% | 0.442 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.9 | -30.8 | -165.8 | 18.5 | -32.1 | 0 | 0 | 0 | 114.3 | R1845 V1846 N1933 | P1842-R1845 PolarHBondContact O-N 3.35Å; P1842-V1846 WeakPolarHBondContact O-CG2 3.38Å; P1842-V1846 PolarHBondContact O-N 2.72Å; P1842-N1933 HydrophobicContact CB-CB 4.48Å; P1842-N1933 WeakPolarHBondContact CB-OD1 3.41Å |
| 1843 | K | 77.8 | Confident | 76.3 | Confident | 98 Ų | 98 | 64 Ų | 64 | 43% | 0.426 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 174.3 | -65.4 | -172.2 | -179.9 | -173.2 | 0 | 112.6 | S824 S826 D1841 E1847 | S824-K1843 PolarHBondContact OG-NZ 2.9Å; S826-K1843 VanDerWaalsContact OG-CE 3.24Å; S826-K1843 WeakPolarHBondContact OG-CE 3.46Å; S826-K1843 PolarHBondContact OG-NZ 3.27Å; D1841-K1843 PolarHBondContact O-N 2.99Å; K1843-E1847 PolarHBondContact O-N 2.82Å |
| 1844 | L | 80.1 | Confident | 76.7 | Confident | 90 Ų | 90 | 65.8 Ų | 65.8 | 47% | 0.471 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.5 | -39.2 | 174.1 | -75.8 | 167.2 | 0 | 0 | 0 | 111.3 | C1840 D1841 V1846 E1847 M1848 | C1840-L1844 HydrophobicContact CB-CB 4.27Å; D1841-L1844 HydrophobicContact CB-CD1 4.25Å; D1841-L1844 WeakPolarHBondContact O-CA 3.3Å; D1841-L1844 WeakPolarHBondContact O-CB 3.46Å; D1841-L1844 PolarHBondContact O-N 2.87Å; L1844-V1846 PolarHBondContact O-N 3.06Å; L1844-E1847 WeakPolarHBondContact O-CA 3.44Å; L1844-E1847 WeakPolarHBondContact O-CB 3.34Å; L1844-E1847 PolarHBondContact O-N 3.44Å; L1844-E1847 VanDerWaalsContact O-N 3.08Å; L1844-M1848 WeakPolarHBondContact O-CG 3.31Å; L1844-M1848 PolarHBondContact O-N 3.29Å |
| 1845 | R | 81.5 | Confident | 77.3 | Confident | 60 Ų | 60 | 65.3 Ų | 65.3 | 23% | 0.226 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 174.8 | -169.2 | -170.6 | -69.6 | 173.1 | 1.6 | 111.8 | L1838 D1841 P1842 E1847 M1848 V1849 I1932 N1933 | L1838-R1845 HydrophobicContact CB-CG 4.31Å; L1838-R1845 HydrophobicContact CD2-CG 3.94Å; L1838-R1845 HydrophobicContact CG-CG 4.27Å; L1838-R1845 VanDerWaalsContact O-CZ 3.23Å; L1838-R1845 PolarHBondContact O-NE 2.9Å; L1838-R1845 PolarHBondContact O-NH2 2.85Å; D1841-R1845 PolarHBondContact O-N 3.23Å; P1842-R1845 PolarHBondContact O-N 3.35Å; R1845-E1847 PolarHBondContact O-N 3.21Å; R1845-M1848 PolarHBondContact O-N 3.3Å; R1845-V1849 HydrophobicContact CG-CG2 4.32Å; R1845-V1849 WeakPolarHBondContact O-CB 3.48Å; R1845-V1849 WeakPolarHBondContact O-CG2 3.49Å; R1845-V1849 PolarHBondContact O-N 3.31Å; R1845-I1932 WeakPolarHBondContact CD-O 3.49Å; R1845-I1932 HydrophobicContact CG-CG2 4.03Å; R1845-I1932 PolarHBondContact NH1-O 3.13Å; R1845-I1932 VanDerWaalsContact NH1-O 3.08Å; R1845-N1933 PolarHBondContact NH1-O 3.26Å |
| 1846 | V | 84.1 | Confident | 78.1 | Confident | 13 Ų | 13 | 63.6 Ų | 63.6 | 8% | 0.079 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.3 | -38.1 | 174.7 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | P1842 L1844 Q1850 I1932 N2046 | P1842-V1846 WeakPolarHBondContact O-CG2 3.38Å; P1842-V1846 PolarHBondContact O-N 2.72Å; L1844-V1846 PolarHBondContact O-N 3.06Å; V1846-Q1850 HydrophobicContact CG1-CG 4.35Å; V1846-Q1850 VanDerWaalsContact O-CB 3.27Å; V1846-Q1850 WeakPolarHBondContact O-CB 3.3Å; V1846-Q1850 WeakPolarHBondContact O-CG 3.27Å; V1846-Q1850 PolarHBondContact O-N 2.7Å; V1846-I1932 HydrophobicContact CG2-CB 4.3Å; V1846-I1932 HydrophobicContact CG2-CD1 4.3Å; V1846-I1932 HydrophobicContact CG2-CG2 3.86Å; V1846-N2046 HydrophobicContact CG1-CB 4.33Å; V1846-N2046 WeakPolarHBondContact CG1-OD1 3.29Å |
| 1847 | E | 84.2 | Confident | 79.6 | Confident | 47 Ų | 47 | 57.5 Ų | 57.5 | 22% | 0.22 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.6 | -42 | 174.4 | -78.2 | -165.3 | -154.4 | 0 | 0 | 114.8 | R822 K1843 L1844 R1845 K1851 | R822-E1847 WeakPolarHBondContact CD-OE1 3.47Å; R822-E1847 VanDerWaalsContact CZ-CG 3.48Å; R822-E1847 IonicContact CZ-OE1 3.63Å; R822-E1847 VanDerWaalsContact CZ-OE1 3.24Å; R822-E1847 IonicContact NE-OE1 2.66Å; R822-E1847 PolarHBondContact NE-OE1 3.26Å; R822-E1847 IonicContact NH1-OE1 2.8Å; R822-E1847 PolarHBondContact NH1-OE1 3.47Å; K1843-E1847 PolarHBondContact O-N 2.82Å; L1844-E1847 WeakPolarHBondContact O-CA 3.44Å; L1844-E1847 WeakPolarHBondContact O-CB 3.34Å; L1844-E1847 PolarHBondContact O-N 3.44Å; L1844-E1847 VanDerWaalsContact O-N 3.08Å; R1845-E1847 PolarHBondContact O-N 3.21Å; E1847-K1851 WeakPolarHBondContact O-CB 3.35Å; E1847-K1851 VanDerWaalsContact O-CD 3.27Å; E1847-K1851 WeakPolarHBondContact O-CD 3.22Å; E1847-K1851 WeakPolarHBondContact O-CG 3.32Å; E1847-K1851 PolarHBondContact O-N 3.28Å; E1847-K1851 IonicContact OE2-NZ 3.26Å; E1847-K1851 PolarHBondContact OE2-NZ 3.15Å |
| 1848 | M | 84.1 | Confident | 81.3 | Confident | 49 Ų | 49 | 55 Ų | 55 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 176.8 | -69.5 | 168.1 | 70.3 | 0 | 0 | 109.7 | E1837 L1838 L1844 R1845 Q1850 K1851 L1852 | E1837-M1848 HydrophobicContact CB-CE 4.05Å; L1838-M1848 HydrophobicContact CD1-CE 4.24Å; L1838-M1848 HydrophobicContact CG-CE 4.41Å; L1844-M1848 WeakPolarHBondContact O-CG 3.31Å; L1844-M1848 PolarHBondContact O-N 3.29Å; R1845-M1848 PolarHBondContact O-N 3.3Å; M1848-Q1850 PolarHBondContact O-N 3.29Å; M1848-K1851 WeakPolarHBondContact O-CB 3.33Å; M1848-K1851 PolarHBondContact O-N 2.93Å; M1848-K1851 VanDerWaalsContact O-N 3.14Å; M1848-L1852 WeakPolarHBondContact O-CG 3.22Å; M1848-L1852 PolarHBondContact O-N 3.31Å |
| 1849 | V | 87.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65 | -41.4 | 178.9 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | F1833 L1838 R1845 K1851 L1852 V1853 V1929 I1932 F2047 | F1833-V1849 HydrophobicContact CD2-CG1 4.44Å; F1833-V1849 HydrophobicContact CD2-CG2 3.99Å; F1833-V1849 HydrophobicContact CE2-CG1 3.95Å; F1833-V1849 HydrophobicContact CE2-CG2 3.72Å; L1838-V1849 HydrophobicContact CD2-CG2 3.76Å; R1845-V1849 HydrophobicContact CG-CG2 4.32Å; R1845-V1849 WeakPolarHBondContact O-CB 3.48Å; R1845-V1849 WeakPolarHBondContact O-CG2 3.49Å; R1845-V1849 PolarHBondContact O-N 3.31Å; V1849-K1851 VanDerWaalsContact C-N 3.32Å; V1849-K1851 PolarHBondContact O-N 3.16Å; V1849-L1852 PolarHBondContact O-N 3.32Å; V1849-V1853 HydrophobicContact CG1-CG2 4.41Å; V1849-V1853 WeakPolarHBondContact O-CG2 3.43Å; V1849-V1853 PolarHBondContact O-N 2.8Å; V1849-V1929 HydrophobicContact CG1-CG1 3.17Å; V1849-I1932 HydrophobicContact CB-CD1 4.44Å; V1849-I1932 HydrophobicContact CB-CG2 4.29Å; V1849-I1932 HydrophobicContact CG1-CD1 3.96Å; V1849-I1932 HydrophobicContact CG1-CG1 4.28Å; V1849-I1932 HydrophobicContact CG2-CG2 4.06Å; V1849-F2047 HydrophobicContact CG1-CZ 4.29Å |
| 1850 | Q | 87.5 | Confident | 84.5 | Confident | 31 Ų | 31 | 53.2 Ų | 53.2 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.5 | -46.2 | 170.2 | -81 | 167.9 | -16.3 | 0 | 0 | 111.9 | V1846 M1848 T1854 N2046 F2047 | V1846-Q1850 HydrophobicContact CG1-CG 4.35Å; V1846-Q1850 VanDerWaalsContact O-CB 3.27Å; V1846-Q1850 WeakPolarHBondContact O-CB 3.3Å; V1846-Q1850 WeakPolarHBondContact O-CG 3.27Å; V1846-Q1850 PolarHBondContact O-N 2.7Å; M1848-Q1850 PolarHBondContact O-N 3.29Å; Q1850-T1854 WeakPolarHBondContact O-CB 3.41Å; Q1850-T1854 PolarHBondContact O-N 3.37Å; Q1850-T1854 VanDerWaalsContact O-N 3.11Å; Q1850-T1854 PolarHBondContact O-OG1 3.22Å; Q1850-N2046 WeakPolarHBondContact CG-O 3.41Å; Q1850-N2046 PolarHBondContact NE2-O 2.91Å; Q1850-F2047 HydrophobicContact CG-CE1 4.41Å |
| 1851 | K | 87.8 | Confident | 85.7 | Confident | 111 Ų | 111 | 51.8 Ų | 51.8 | 48% | 0.483 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.9 | -47.7 | 178.8 | -69.6 | 159.5 | -166.4 | 161.3 | 0 | 111.2 | E1847 M1848 V1849 T1854 Q1855 | E1847-K1851 WeakPolarHBondContact O-CB 3.35Å; E1847-K1851 VanDerWaalsContact O-CD 3.27Å; E1847-K1851 WeakPolarHBondContact O-CD 3.22Å; E1847-K1851 WeakPolarHBondContact O-CG 3.32Å; E1847-K1851 PolarHBondContact O-N 3.28Å; E1847-K1851 IonicContact OE2-NZ 3.26Å; E1847-K1851 PolarHBondContact OE2-NZ 3.15Å; M1848-K1851 WeakPolarHBondContact O-CB 3.33Å; M1848-K1851 PolarHBondContact O-N 2.93Å; M1848-K1851 VanDerWaalsContact O-N 3.14Å; V1849-K1851 VanDerWaalsContact C-N 3.32Å; V1849-K1851 PolarHBondContact O-N 3.16Å; K1851-T1854 PolarHBondContact O-N 3.22Å; K1851-Q1855 WeakPolarHBondContact O-CB 3.37Å; K1851-Q1855 VanDerWaalsContact O-CG 3.29Å; K1851-Q1855 WeakPolarHBondContact O-CG 3.5Å; K1851-Q1855 PolarHBondContact O-N 3.12Å |
| 1852 | L | 88.9 | Confident | 86.4 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.3 | -47 | 179.4 | -70.3 | 173.7 | 0 | 0 | 0 | 112.3 | F1829 E1832 M1848 V1849 T1854 Q1855 L1856 | F1829-L1852 HydrophobicContact CD2-CB 4.12Å; F1829-L1852 HydrophobicContact CE2-CB 3.91Å; E1832-L1852 HydrophobicContact CB-CD1 4.23Å; E1832-L1852 HydrophobicContact CB-CD2 3.87Å; E1832-L1852 HydrophobicContact CG-CD2 4.4Å; E1832-L1852 WeakPolarHBondContact OE2-CD2 3.45Å; M1848-L1852 WeakPolarHBondContact O-CG 3.22Å; M1848-L1852 PolarHBondContact O-N 3.31Å; V1849-L1852 PolarHBondContact O-N 3.32Å; L1852-T1854 PolarHBondContact O-N 3.1Å; L1852-Q1855 PolarHBondContact O-N 3.01Å; L1852-L1856 PolarHBondContact O-N 2.83Å |
| 1853 | V | 89.7 | Confident | 87 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -44.5 | 176.5 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | F1829 V1849 Q1855 L1856 I1857 M1922 I1925 V1929 F2047 | F1829-V1853 HydrophobicContact CE2-CG2 3.87Å; F1829-V1853 HydrophobicContact CZ-CG2 4.02Å; V1849-V1853 HydrophobicContact CG1-CG2 4.41Å; V1849-V1853 WeakPolarHBondContact O-CG2 3.43Å; V1849-V1853 PolarHBondContact O-N 2.8Å; V1853-Q1855 VanDerWaalsContact C-N 3.31Å; V1853-Q1855 PolarHBondContact O-N 3.48Å; V1853-L1856 PolarHBondContact O-N 3Å; V1853-I1857 HydrophobicContact CG1-CD1 3.89Å; V1853-I1857 WeakPolarHBondContact O-CG1 3.2Å; V1853-I1857 PolarHBondContact O-N 3.43Å; V1853-M1922 HydrophobicContact CG1-SD 3.97Å; V1853-I1925 HydrophobicContact CB-CD1 4.41Å; V1853-I1925 HydrophobicContact CG1-CD1 3.76Å; V1853-I1925 HydrophobicContact CG2-CD1 3.91Å; V1853-V1929 HydrophobicContact CG2-CG1 4.01Å; V1853-V1929 HydrophobicContact CG2-CG2 4.42Å; V1853-F2047 HydrophobicContact CB-CE1 4.16Å; V1853-F2047 HydrophobicContact CG1-CE1 4.23Å; V1853-F2047 HydrophobicContact CG2-CE1 4.16Å; V1853-F2047 HydrophobicContact CG2-CZ 4.49Å |
| 1854 | T | 87.6 | Confident | 87.3 | Confident | 75 Ų | 75 | 47 Ų | 47 | 46% | 0.46 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.5 | -38 | 177.5 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | Q1850 K1851 L1852 N1858 | Q1850-T1854 WeakPolarHBondContact O-CB 3.41Å; Q1850-T1854 PolarHBondContact O-N 3.37Å; Q1850-T1854 VanDerWaalsContact O-N 3.11Å; Q1850-T1854 PolarHBondContact O-OG1 3.22Å; K1851-T1854 PolarHBondContact O-N 3.22Å; L1852-T1854 PolarHBondContact O-N 3.1Å; T1854-N1858 WeakPolarHBondContact O-CB 3.48Å; T1854-N1858 VanDerWaalsContact O-CG 3.29Å; T1854-N1858 PolarHBondContact O-N 2.71Å; T1854-N1858 PolarHBondContact O-ND2 2.93Å |
| 1855 | Q | 89.3 | Confident | 87.5 | Confident | 97 Ų | 97 | 48.1 Ų | 48.1 | 45% | 0.453 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.7 | -43.5 | 174.7 | -74.7 | 178.9 | 18.4 | 0 | 0 | 112.2 | K1851 L1852 V1853 N1858 K1859 | K1851-Q1855 WeakPolarHBondContact O-CB 3.37Å; K1851-Q1855 VanDerWaalsContact O-CG 3.29Å; K1851-Q1855 WeakPolarHBondContact O-CG 3.5Å; K1851-Q1855 PolarHBondContact O-N 3.12Å; L1852-Q1855 PolarHBondContact O-N 3.01Å; V1853-Q1855 VanDerWaalsContact C-N 3.31Å; V1853-Q1855 PolarHBondContact O-N 3.48Å; Q1855-N1858 PolarHBondContact O-N 2.84Å; Q1855-K1859 WeakPolarHBondContact O-CB 3.41Å; Q1855-K1859 VanDerWaalsContact O-CG 3.28Å; Q1855-K1859 WeakPolarHBondContact O-CG 3.23Å; Q1855-K1859 PolarHBondContact O-N 3.18Å |
| 1856 | L | 91.1 | Very high | 87.5 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.5 | -47.8 | 176.2 | 176.2 | 62.6 | 0 | 0 | 0 | 111.2 | L1825 F1826 F1829 L1852 V1853 N1858 K1859 M1860 V1921 I1925 | L1825-L1856 HydrophobicContact CB-CD1 3.89Å; F1826-L1856 HydrophobicContact CD1-CD2 4.12Å; F1826-L1856 HydrophobicContact CE1-CD2 4.16Å; F1829-L1856 HydrophobicContact CB-CD1 4.37Å; F1829-L1856 HydrophobicContact CB-CD2 4.06Å; F1829-L1856 HydrophobicContact CD1-CD2 4.18Å; F1829-L1856 HydrophobicContact CD2-CB 4.3Å; F1829-L1856 HydrophobicContact CD2-CD2 4.04Å; F1829-L1856 HydrophobicContact CG-CD2 3.82Å; L1852-L1856 PolarHBondContact O-N 2.83Å; V1853-L1856 PolarHBondContact O-N 3Å; L1856-N1858 PolarHBondContact O-N 3.27Å; L1856-K1859 PolarHBondContact O-N 3.12Å; L1856-M1860 PolarHBondContact O-N 3.04Å; L1856-V1921 HydrophobicContact CD2-CG1 4.12Å; L1856-V1921 HydrophobicContact CG-CG1 4.21Å; L1856-I1925 HydrophobicContact CD2-CG2 3.94Å |
| 1857 | I | 89.5 | Confident | 87.2 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 10% | 0.103 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.7 | -47 | 176.2 | -71 | 169.6 | 0 | 0 | 0 | 110.6 | V1853 M1860 K1861 E1918 V1921 M1922 | V1853-I1857 HydrophobicContact CG1-CD1 3.89Å; V1853-I1857 WeakPolarHBondContact O-CG1 3.2Å; V1853-I1857 PolarHBondContact O-N 3.43Å; I1857-M1860 PolarHBondContact O-N 2.9Å; I1857-K1861 HydrophobicContact CG2-CD 4.28Å; I1857-K1861 HydrophobicContact CG2-CG 4.36Å; I1857-K1861 WeakPolarHBondContact O-CG 3.46Å; I1857-K1861 PolarHBondContact O-N 2.77Å; I1857-E1918 HydrophobicContact CG2-CG 3.85Å; I1857-V1921 HydrophobicContact CG1-CG1 4.07Å; I1857-M1922 HydrophobicContact CD1-CG 4.48Å; I1857-M1922 HydrophobicContact CD1-SD 3.94Å |
| 1858 | N | 89.5 | Confident | 86.5 | Confident | 86 Ų | 86 | 52 Ų | 52 | 46% | 0.46 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.8 | -38.6 | -179.7 | -74.5 | -28.2 | 0 | 0 | 0 | 113.1 | T1854 Q1855 L1856 M1860 K1861 S1862 | T1854-N1858 WeakPolarHBondContact O-CB 3.48Å; T1854-N1858 VanDerWaalsContact O-CG 3.29Å; T1854-N1858 PolarHBondContact O-N 2.71Å; T1854-N1858 PolarHBondContact O-ND2 2.93Å; Q1855-N1858 PolarHBondContact O-N 2.84Å; L1856-N1858 PolarHBondContact O-N 3.27Å; N1858-M1860 VanDerWaalsContact C-N 3.31Å; N1858-M1860 PolarHBondContact O-N 3.32Å; N1858-K1861 PolarHBondContact O-N 3.43Å; N1858-S1862 WeakPolarHBondContact O-CB 3.27Å; N1858-S1862 PolarHBondContact O-N 3.13Å |
| 1859 | K | 91.2 | Very high | 85.2 | Confident | 75 Ų | 75 | 55.1 Ų | 55.1 | 33% | 0.326 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.2 | -45.8 | 170.3 | -76.2 | 174.3 | -179.7 | 177.4 | 0 | 110.1 | L1825 Q1855 L1856 S1862 K1863 | L1825-K1859 HydrophobicContact CD1-CB 4.2Å; L1825-K1859 HydrophobicContact CD2-CD 4.27Å; Q1855-K1859 WeakPolarHBondContact O-CB 3.41Å; Q1855-K1859 VanDerWaalsContact O-CG 3.28Å; Q1855-K1859 WeakPolarHBondContact O-CG 3.23Å; Q1855-K1859 PolarHBondContact O-N 3.18Å; L1856-K1859 PolarHBondContact O-N 3.12Å; K1859-S1862 PolarHBondContact O-N 3.1Å; K1859-K1863 PolarHBondContact O-N 2.78Å; K1859-K1863 VanDerWaalsContact O-N 3.12Å |
| 1860 | M | 89.9 | Confident | 83.6 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.2 | -44.8 | 176.3 | -79.1 | -66.2 | -158.2 | 0 | 0 | 113.3 | F1818 N1822 L1825 F1826 L1856 I1857 N1858 S1862 K1863 W1864 L1917 V1921 | F1818-M1860 HydrophobicContact CE1-SD 3.82Å; F1818-M1860 HydrophobicContact CZ-SD 4.39Å; N1822-M1860 HydrophobicContact CB-CE 3.67Å; N1822-M1860 HydrophobicContact CB-SD 3.83Å; L1825-M1860 HydrophobicContact CB-CE 4.47Å; L1825-M1860 HydrophobicContact CD1-CE 4.24Å; L1825-M1860 HydrophobicContact CD1-CG 4.18Å; L1825-M1860 HydrophobicContact CD1-SD 3.84Å; F1826-M1860 HydrophobicContact CD2-CE 3.98Å; F1826-M1860 HydrophobicContact CE2-CE 3.3Å; F1826-M1860 HydrophobicContact CZ-CE 4.06Å; L1856-M1860 PolarHBondContact O-N 3.04Å; I1857-M1860 PolarHBondContact O-N 2.9Å; N1858-M1860 VanDerWaalsContact C-N 3.31Å; N1858-M1860 PolarHBondContact O-N 3.32Å; M1860-S1862 VanDerWaalsContact C-N 3.29Å; M1860-S1862 PolarHBondContact O-N 3.4Å; M1860-K1863 PolarHBondContact O-N 2.88Å; M1860-W1864 WeakPolarHBondContact O-CB 3.22Å; M1860-W1864 PolarHBondContact O-N 3.46Å; M1860-L1917 HydrophobicContact CB-CD2 4.35Å; M1860-V1921 HydrophobicContact CB-CG2 4.45Å; M1860-V1921 HydrophobicContact CG-CG2 4.12Å |
| 1861 | K | 89.6 | Confident | 81.6 | Confident | 25 Ų | 25 | 62 Ų | 62 | 11% | 0.109 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -34.9 | 176 | -72.2 | -170.8 | -172.9 | -165.2 | 0 | 112.5 | I1857 N1858 R1865 I1914 E1918 | I1857-K1861 HydrophobicContact CG2-CD 4.28Å; I1857-K1861 HydrophobicContact CG2-CG 4.36Å; I1857-K1861 WeakPolarHBondContact O-CG 3.46Å; I1857-K1861 PolarHBondContact O-N 2.77Å; N1858-K1861 PolarHBondContact O-N 3.43Å; K1861-R1865 WeakPolarHBondContact O-CG 3.31Å; K1861-R1865 PolarHBondContact O-N 3.46Å; K1861-R1865 PolarHBondContact O-NE 2.7Å; K1861-I1914 HydrophobicContact CD-CG2 3.64Å; K1861-I1914 HydrophobicContact CG-CG2 4.06Å; K1861-E1918 VanDerWaalsContact CE-CG 3.49Å; K1861-E1918 WeakPolarHBondContact CE-OE1 3.37Å; K1861-E1918 IonicContact NZ-OE1 3.34Å; K1861-E1918 PolarHBondContact NZ-OE1 3.07Å; K1861-E1918 IonicContact NZ-OE2 3.82Å |
| 1862 | S | 87.5 | Confident | 79.3 | Confident | 58 Ų | 58 | 60.9 Ų | 60.9 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66 | -56.4 | 174.9 | -160.8 | 0 | 0 | 0 | 0 | 110.4 | N1858 K1859 M1860 W1864 R1865 E1866 | N1858-S1862 WeakPolarHBondContact O-CB 3.27Å; N1858-S1862 PolarHBondContact O-N 3.13Å; K1859-S1862 PolarHBondContact O-N 3.1Å; M1860-S1862 VanDerWaalsContact C-N 3.29Å; M1860-S1862 PolarHBondContact O-N 3.4Å; S1862-W1864 PolarHBondContact O-N 3.42Å; S1862-R1865 WeakPolarHBondContact O-CB 3.43Å; S1862-R1865 PolarHBondContact O-N 3.5Å; S1862-E1866 VanDerWaalsContact CB-OE1 3.28Å; S1862-E1866 WeakPolarHBondContact CB-OE1 3.36Å; S1862-E1866 WeakPolarHBondContact O-CG 3.34Å; S1862-E1866 PolarHBondContact O-N 3.39Å; S1862-E1866 PolarHBondContact OG-OE1 2.82Å |
| 1863 | K | 88.5 | Confident | 76.5 | Confident | 78 Ų | 78 | 63.5 Ų | 63.5 | 34% | 0.339 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.5 | -34.5 | 178.6 | -73.9 | -162.1 | -176.9 | -169 | 0 | 113.9 | F1818 N1822 L1825 K1859 M1860 E1866 S1867 | F1818-K1863 HydrophobicContact CE2-CB 4.29Å; F1818-K1863 HydrophobicContact CZ-CB 3.81Å; N1822-K1863 WeakPolarHBondContact OD1-CD 3.47Å; N1822-K1863 PolarHBondContact OD1-NZ 2.9Å; L1825-K1863 HydrophobicContact CD1-CD 4.09Å; K1859-K1863 PolarHBondContact O-N 2.78Å; K1859-K1863 VanDerWaalsContact O-N 3.12Å; M1860-K1863 PolarHBondContact O-N 2.88Å; K1863-E1866 PolarHBondContact N-OE1 3.03Å; K1863-S1867 WeakPolarHBondContact O-CB 3.25Å; K1863-S1867 PolarHBondContact O-N 3.24Å |
| 1864 | W | 84.7 | Confident | 74 | Confident | 40 Ų | 40 | 68.7 Ų | 68.7 | 15% | 0.152 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65 | -47.5 | 175.2 | -178.1 | -107.6 | 0 | 0 | 0 | 111.1 | L1815 F1818 M1860 S1862 E1866 S1867 C1868 L1917 | L1815-W1864 HydrophobicContact CD2-CD2 4.16Å; L1815-W1864 HydrophobicContact CD2-CE3 4.12Å; L1815-W1864 HydrophobicContact CD2-CH2 3.68Å; L1815-W1864 HydrophobicContact CD2-CZ2 3.69Å; L1815-W1864 HydrophobicContact CD2-CZ3 3.89Å; L1815-W1864 HydrophobicContact CG-CH2 4.44Å; F1818-W1864 HydrophobicContact CB-CE3 4.12Å; F1818-W1864 HydrophobicContact CB-CZ3 3.79Å; F1818-W1864 AromaticContact CD1-CE3 3.72Å; F1818-W1864 HydrophobicContact CD1-CE3 3.72Å; F1818-W1864 HydrophobicContact CD1-CZ3 4.25Å; F1818-W1864 AromaticContact CD2-CE3 3.7Å; F1818-W1864 HydrophobicContact CD2-CE3 3.7Å; F1818-W1864 HydrophobicContact CD2-CZ3 4.06Å; F1818-W1864 HydrophobicContact CE1-CB 4.16Å; F1818-W1864 HydrophobicContact CE1-CE3 4.01Å; F1818-W1864 AromaticContact CE2-CE3 3.97Å; F1818-W1864 HydrophobicContact CE2-CE3 3.97Å; F1818-W1864 AromaticContact CG-CE3 3.56Å; F1818-W1864 HydrophobicContact CG-CE3 3.56Å; F1818-W1864 AromaticContact CG-CZ3 3.78Å; F1818-W1864 HydrophobicContact CG-CZ3 3.78Å; F1818-W1864 HydrophobicContact CZ-CB 3.91Å; F1818-W1864 HydrophobicContact CZ-CE3 4.12Å; M1860-W1864 WeakPolarHBondContact O-CB 3.22Å; M1860-W1864 PolarHBondContact O-N 3.46Å; S1862-W1864 PolarHBondContact O-N 3.42Å; W1864-E1866 PolarHBondContact O-N 3.16Å; W1864-S1867 WeakPolarHBondContact O-CB 3.42Å; W1864-S1867 PolarHBondContact O-N 3.26Å; W1864-C1868 PolarHBondContact O-N 3.1Å; W1864-C1868 PolarHBondContact O-SG 2.85Å; W1864-L1917 HydrophobicContact CB-CD2 3.84Å; W1864-L1917 HydrophobicContact CG-CD2 4.1Å |
| 1865 | R | 83.8 | Confident | 71.3 | Confident | 114 Ų | 114 | 68.1 Ų | 68.1 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 174.4 | -72.8 | -176.7 | -114.7 | -109.8 | 6.6 | 112.2 | K1861 S1862 S1867 C1868 L1869 I1914 | K1861-R1865 WeakPolarHBondContact O-CG 3.31Å; K1861-R1865 PolarHBondContact O-N 3.46Å; K1861-R1865 PolarHBondContact O-NE 2.7Å; S1862-R1865 WeakPolarHBondContact O-CB 3.43Å; S1862-R1865 PolarHBondContact O-N 3.5Å; R1865-S1867 VanDerWaalsContact C-N 3.34Å; R1865-S1867 PolarHBondContact O-N 2.82Å; R1865-C1868 PolarHBondContact O-N 3.31Å; R1865-L1869 VanDerWaalsContact O-CG 3.3Å; R1865-L1869 WeakPolarHBondContact O-CG 3.49Å; R1865-L1869 PolarHBondContact O-N 3.47Å; R1865-I1914 VanDerWaalsContact NH1-CD1 3.31Å |
| 1866 | E | 81.7 | Confident | 68.6 | Low | 91 Ų | 91 | 68.1 Ų | 68.1 | 43% | 0.425 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 175.2 | -68.5 | 154.8 | -136.1 | 0 | 0 | 111.8 | S1862 K1863 W1864 L1869 N1870 | S1862-E1866 VanDerWaalsContact CB-OE1 3.28Å; S1862-E1866 WeakPolarHBondContact CB-OE1 3.36Å; S1862-E1866 WeakPolarHBondContact O-CG 3.34Å; S1862-E1866 PolarHBondContact O-N 3.39Å; S1862-E1866 PolarHBondContact OG-OE1 2.82Å; K1863-E1866 PolarHBondContact N-OE1 3.03Å; W1864-E1866 PolarHBondContact O-N 3.16Å; E1866-L1869 PolarHBondContact O-N 2.8Å; E1866-N1870 PolarHBondContact O-N 3.15Å; E1866-N1870 PolarHBondContact O-ND2 2.78Å |
| 1867 | S | 79 | Confident | 65.7 | Low | 46 Ų | 46 | 76.1 Ų | 76.1 | 32% | 0.322 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 175.4 | -161.6 | 0 | 0 | 0 | 0 | 111.7 | K1863 W1864 R1865 L1869 N1870 D1871 | K1863-S1867 WeakPolarHBondContact O-CB 3.25Å; K1863-S1867 PolarHBondContact O-N 3.24Å; W1864-S1867 WeakPolarHBondContact O-CB 3.42Å; W1864-S1867 PolarHBondContact O-N 3.26Å; R1865-S1867 VanDerWaalsContact C-N 3.34Å; R1865-S1867 PolarHBondContact O-N 2.82Å; S1867-L1869 VanDerWaalsContact C-N 3.28Å; S1867-L1869 PolarHBondContact O-N 2.89Å; S1867-N1870 PolarHBondContact O-N 3.15Å; S1867-D1871 PolarHBondContact O-N 3.49Å |
| 1868 | C | 69.5 | Low | 62.8 | Low | 65 Ų | 65 | 81.9 Ų | 81.9 | 44% | 0.439 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.9 | -32.2 | 177.7 | -64.3 | 0 | 0 | 0 | 0 | 113.2 | W1864 R1865 | W1864-C1868 PolarHBondContact O-N 3.1Å; W1864-C1868 PolarHBondContact O-SG 2.85Å; R1865-C1868 PolarHBondContact O-N 3.31Å |
| 1869 | L | 56.8 | Low | 59.8 | Low | 113 Ų | 113 | 82.9 Ų | 82.9 | 59% | 0.592 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -73.2 | -42.6 | 176.5 | -72.4 | 166.4 | 0 | 0 | 0 | 112 | R1865 E1866 S1867 D1871 C1872 C1873 | R1865-L1869 VanDerWaalsContact O-CG 3.3Å; R1865-L1869 WeakPolarHBondContact O-CG 3.49Å; R1865-L1869 PolarHBondContact O-N 3.47Å; E1866-L1869 PolarHBondContact O-N 2.8Å; S1867-L1869 VanDerWaalsContact C-N 3.28Å; S1867-L1869 PolarHBondContact O-N 2.89Å; L1869-D1871 PolarHBondContact O-N 3.46Å; L1869-C1872 WeakPolarHBondContact O-CA 3.33Å; L1869-C1872 VanDerWaalsContact O-CB 3.25Å; L1869-C1872 WeakPolarHBondContact O-CB 3.36Å; L1869-C1872 PolarHBondContact O-N 2.9Å; L1869-C1873 PolarHBondContact O-N 3.11Å; L1869-C1873 VanDerWaalsContact O-N 3.16Å |
| 1870 | N | 52 | Low | 56.6 | Low | 103 Ų | 103 | 83.9 Ų | 83.9 | 55% | 0.551 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.8 | -39.9 | -178.7 | -75.4 | -33.9 | 0 | 0 | 0 | 112.8 | E1866 S1867 C1872 C1873 I1874 | E1866-N1870 PolarHBondContact O-N 3.15Å; E1866-N1870 PolarHBondContact O-ND2 2.78Å; S1867-N1870 PolarHBondContact O-N 3.15Å; N1870-C1872 PolarHBondContact O-N 2.8Å; N1870-C1873 PolarHBondContact O-N 2.84Å; N1870-I1874 WeakPolarHBondContact O-CG1 3.15Å; N1870-I1874 PolarHBondContact O-N 3.2Å |
| 1871 | D | 47.1 | Very low | 53.5 | Low | 73 Ų | 73 | 89.5 Ų | 89.5 | 39% | 0.39 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -17.9 | 173.6 | -84.3 | -37.7 | 0 | 0 | 0 | 113.6 | S1867 L1869 M1896 R1900 | S1867-D1871 PolarHBondContact O-N 3.49Å; L1869-D1871 PolarHBondContact O-N 3.46Å; D1871-M1896 HydrophobicContact CB-CE 4.5Å; D1871-R1900 PolarHBondContact O-NH2 2.85Å |
| 1872 | C | 37.7 | Very low | 50.4 | Low | 88 Ų | 88 | 93.7 Ų | 93.7 | 60% | 0.595 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -82.6 | -45 | 173.2 | -159.9 | 0 | 0 | 0 | 0 | 111.4 | L1869 N1870 I1874 S1875 | L1869-C1872 WeakPolarHBondContact O-CA 3.33Å; L1869-C1872 VanDerWaalsContact O-CB 3.25Å; L1869-C1872 WeakPolarHBondContact O-CB 3.36Å; L1869-C1872 PolarHBondContact O-N 2.9Å; N1870-C1872 PolarHBondContact O-N 2.8Å; C1872-I1874 VanDerWaalsContact C-N 3.34Å; C1872-I1874 PolarHBondContact O-N 2.87Å; C1872-S1875 PolarHBondContact O-N 2.9Å |
| 1873 | C | 31.4 | Very low | 47.4 | Very low | 79 Ų | 79 | 98.1 Ų | 98.1 | 53% | 0.534 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.5 | -28.6 | -176.4 | -68.1 | 0 | 0 | 0 | 0 | 114.5 | L1869 N1870 S1875 T1876 | L1869-C1873 PolarHBondContact O-N 3.11Å; L1869-C1873 VanDerWaalsContact O-N 3.16Å; N1870-C1873 PolarHBondContact O-N 2.84Å; C1873-S1875 PolarHBondContact O-N 3.28Å; C1873-S1875 VanDerWaalsContact O-N 3.15Å; C1873-T1876 PolarHBondContact O-OG1 3.44Å |
| 1874 | I | 36.7 | Very low | 44.3 | Very low | 111 Ų | 111 | 99.9 Ų | 99.9 | 57% | 0.569 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -17.9 | -180 | -67.4 | 167 | 0 | 0 | 0 | 112.3 | N1870 C1872 | N1870-I1874 WeakPolarHBondContact O-CG1 3.15Å; N1870-I1874 PolarHBondContact O-N 3.2Å; C1872-I1874 VanDerWaalsContact C-N 3.34Å; C1872-I1874 PolarHBondContact O-N 2.87Å |
| 1875 | S | 31.3 | Very low | 41.5 | Very low | 64 Ų | 64 | 106 Ų | 106 | 45% | 0.448 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.3 | -16.8 | -174.1 | -144.2 | 0 | 0 | 0 | 0 | 116.3 | C1872 C1873 R1900 | C1872-S1875 PolarHBondContact O-N 2.9Å; C1873-S1875 PolarHBondContact O-N 3.28Å; C1873-S1875 VanDerWaalsContact O-N 3.15Å; S1875-R1900 PolarHBondContact OG-NH1 2.69Å |
| 1876 | T | 31.4 | Very low | 38.7 | Very low | 97 Ų | 97 | 109.3 Ų | 109.3 | 60% | 0.595 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -93 | -11.5 | -169.6 | 49.9 | 0 | 0 | 0 | 0 | 114.6 | C1873 | C1873-T1876 PolarHBondContact O-OG1 3.44Š|
| 1877 | H | 30.1 | Very low | 36 | Very low | 171 Ų | 171 | 113.7 Ų | 113.7 | 79% | 0.792 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -107.3 | 4.8 | -176.5 | -78.2 | -78.9 | 0 | 0 | 0 | 115.2 | ||
| 1878 | L | 29.3 | Very low | 33.4 | Very low | 142 Ų | 142 | 121.3 Ų | 121.3 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | trans | -103.5 | 17.5 | 179.2 | -88.3 | 156.9 | 0 | 0 | 0 | 113.9 | S1880 | L1878-S1880 PolarHBondContact O-N 2.89Š| ||
| 1879 | S | 26.3 | Very low | 31.3 | Very low | 107 Ų | 107 | 124 Ų | 124 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -95.1 | 33.5 | -177.4 | 65 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1880 | S | 24.8 | Very low | 29.8 | Very low | 96 Ų | 96 | 124 Ų | 124 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -164.9 | 145.9 | 164.1 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | L1878 | L1878-S1880 PolarHBondContact O-N 2.89Š|
| 1881 | S | 23.9 | Very low | 28.6 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 83% | 0.825 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 72 | 36.2 | 159.2 | -49.7 | 0 | 0 | 0 | 0 | 119.3 | ||
| 1882 | S | 24.8 | Very low | 27.7 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 80% | 0.797 | 71% | 0.706 | S | S | * | * | trans | -156 | 78.5 | 164.3 | -78.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1883 | L | 25.3 | Very low | 27.4 | Very low | 150 Ų | 150 | 126.8 Ų | 126.8 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | -136.5 | 51 | -175.2 | -124.7 | 173.6 | 0 | 0 | 0 | 113.8 | F1886 | L1883-F1886 HydrophobicContact CD2-CD2 4.27Å; L1883-F1886 HydrophobicContact CD2-CE2 4.03Å | ||
| 1884 | S | 23.1 | Very low | 27.2 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | trans | -151.3 | 49.2 | -178.4 | 66.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1885 | L | 26.1 | Very low | 26.9 | Very low | 168 Ų | 168 | 127.7 Ų | 127.7 | 88% | 0.88 | 72% | 0.719 | S | S | * | * | trans | -151.1 | 32 | 170.1 | -119.6 | 167.4 | 0 | 0 | 0 | 115.3 | H1887 | L1885-H1887 PolarHBondContact O-N 2.94Å; L1885-H1887 VanDerWaalsContact O-N 3.13Å | ||
| 1886 | F | 24.9 | Very low | 26.8 | Very low | 184 Ų | 184 | 129 Ų | 129 | 81% | 0.807 | 72% | 0.719 | S | S | * | * | trans | -77.3 | 87.9 | 172 | -87.6 | -84.6 | 0 | 0 | 0 | 111.8 | L1883 | L1883-F1886 HydrophobicContact CD2-CD2 4.27Å; L1883-F1886 HydrophobicContact CD2-CE2 4.03Å | ||
| 1887 | H | 25.1 | Very low | 26.7 | Very low | 183 Ų | 183 | 127.2 Ų | 127.2 | 85% | 0.847 | 71% | 0.706 | S | S | * | * | trans | -163.9 | 52.8 | 158.3 | -117.2 | -63 | 0 | 0 | 0 | 117 | L1885 | L1885-H1887 PolarHBondContact O-N 2.94Å; L1885-H1887 VanDerWaalsContact O-N 3.13Å | ||
| 1888 | K | 23.7 | Very low | 27.1 | Very low | 206 Ų | 206 | 125 Ų | 125 | 90% | 0.896 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -167.5 | 169 | 149.8 | -109.7 | 153.1 | -171.4 | 176.3 | 0 | 111.8 | D1890 | K1888-D1890 PolarHBondContact O-N 3.05Š|
| 1889 | C | 25.6 | Very low | 27.3 | Very low | 121 Ų | 121 | 124.7 Ų | 124.7 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | trans | -53.8 | 129.3 | -172.5 | -53.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1890 | D | 25.4 | Very low | 27.7 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 61% | 0.61 | 68% | 0.683 | S | S | * | * | trans | -150.6 | 104.3 | 132.5 | -134 | -20.1 | 0 | 0 | 0 | 113.1 | K83 K1888 S1892 | K83-D1890 IonicContact NZ-OD1 3.73Å; K1888-D1890 PolarHBondContact O-N 3.05Å; D1890-S1892 PolarHBondContact O-N 3.02Å; D1890-S1892 PolarHBondContact OD1-OG 3.13Å | ||
| 1891 | V | 27.3 | Very low | 27.8 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 64% | 0.642 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 69.3 | 171.4 | -172.2 | 0 | 0 | 0 | 0 | 107.8 | ||
| 1892 | S | 27.9 | Very low | 28.2 | Very low | 59 Ų | 59 | 125.7 Ų | 125.7 | 41% | 0.413 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.7 | -27.7 | 178.7 | 50.3 | 0 | 0 | 0 | 0 | 112 | D1890 S1895 | D1890-S1892 PolarHBondContact O-N 3.02Å; D1890-S1892 PolarHBondContact OD1-OG 3.13Å; S1892-S1895 PolarHBondContact O-OG 3.33Å |
| 1893 | Q | 30.2 | Very low | 28.3 | Very low | 158 Ų | 158 | 126.3 Ų | 126.3 | 74% | 0.738 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -20.3 | 179.5 | -66.8 | -178.7 | -17.8 | 0 | 0 | 114.5 | S1895 M1896 | Q1893-S1895 PolarHBondContact O-N 2.95Å; Q1893-M1896 PolarHBondContact O-N 3.21Å |
| 1894 | L | 27.7 | Very low | 28.8 | Very low | 122 Ų | 122 | 123 Ų | 123 | 64% | 0.639 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.3 | -14.4 | -176.1 | -144 | 85.2 | 0 | 0 | 0 | 114 | ||
| 1895 | S | 31.2 | Very low | 29.4 | Very low | 87 Ų | 87 | 124.3 Ų | 124.3 | 61% | 0.608 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -74.7 | -33.9 | 177.6 | 53.9 | 0 | 0 | 0 | 0 | 112.9 | S1892 Q1893 | S1892-S1895 PolarHBondContact O-OG 3.33Å; Q1893-S1895 PolarHBondContact O-N 2.95Å |
| 1896 | M | 29 | Very low | 30 | Very low | 90 Ų | 90 | 120.3 Ų | 120.3 | 44% | 0.443 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -78.8 | -29.5 | 178.5 | -64.1 | -61 | -78.6 | 0 | 0 | 112.1 | D1871 Q1893 I1898 L1899 | D1871-M1896 HydrophobicContact CB-CE 4.5Å; Q1893-M1896 PolarHBondContact O-N 3.21Å; M1896-I1898 VanDerWaalsContact C-N 3.31Å; M1896-I1898 PolarHBondContact O-N 3.24Å; M1896-L1899 PolarHBondContact O-N 3.02Å |
| 1897 | N | 30 | Very low | 31.1 | Very low | 61 Ų | 61 | 117.9 Ų | 117.9 | 33% | 0.326 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -68.7 | -24.2 | -175.2 | -80.8 | 34.2 | 0 | 0 | 0 | 114.4 | L1899 R1900 D1901 | N1897-L1899 PolarHBondContact O-N 2.97Å; N1897-R1900 PolarHBondContact O-N 3.26Å; N1897-D1901 PolarHBondContact ND2-OD2 3.42Å; N1897-D1901 PolarHBondContact O-N 2.98Å |
| 1898 | I | 37 | Very low | 32.4 | Very low | 125 Ų | 125 | 115.1 Ų | 115.1 | 64% | 0.641 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.5 | -21.1 | 177.6 | -63.6 | 176.6 | 0 | 0 | 0 | 112 | M1896 N1902 | M1896-I1898 VanDerWaalsContact C-N 3.31Å; M1896-I1898 PolarHBondContact O-N 3.24Å; I1898-N1902 PolarHBondContact O-ND2 2.89Å; I1898-N1902 VanDerWaalsContact O-ND2 3.13Å |
| 1899 | L | 34.4 | Very low | 34.3 | Very low | 135 Ų | 135 | 109.9 Ų | 109.9 | 71% | 0.707 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -91.5 | -15.2 | 169.5 | -75.4 | 168.9 | 0 | 0 | 0 | 113.9 | M1896 N1897 | M1896-L1899 PolarHBondContact O-N 3.02Å; N1897-L1899 PolarHBondContact O-N 2.97Å |
| 1900 | R | 33.8 | Very low | 36.5 | Very low | 117 Ų | 117 | 107.3 Ų | 107.3 | 44% | 0.442 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -97.4 | -37.7 | -178.1 | -91.8 | 177.8 | 177.8 | -147.6 | 1.9 | 114.3 | D1871 S1875 N1897 N1902 | D1871-R1900 PolarHBondContact O-NH2 2.85Å; S1875-R1900 PolarHBondContact OG-NH1 2.69Å; N1897-R1900 PolarHBondContact O-N 3.26Å; R1900-N1902 PolarHBondContact O-N 3.4Å |
| 1901 | D | 27.4 | Very low | 38.7 | Very low | 122 Ų | 122 | 106.1 Ų | 106.1 | 65% | 0.652 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -88.5 | 22.5 | -171.5 | -63 | -30.5 | 0 | 0 | 0 | 113.2 | N1897 | N1897-D1901 PolarHBondContact ND2-OD2 3.42Å; N1897-D1901 PolarHBondContact O-N 2.98Å |
| 1902 | N | 31.7 | Very low | 41 | Very low | 102 Ų | 102 | 104.4 Ų | 104.4 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -108.9 | 118.2 | 163.8 | -70.5 | -72.6 | 0 | 0 | 0 | 108.6 | I1898 R1900 I1904 | I1898-N1902 PolarHBondContact O-ND2 2.89Å; I1898-N1902 VanDerWaalsContact O-ND2 3.13Å; R1900-N1902 PolarHBondContact O-N 3.4Å; N1902-I1904 PolarHBondContact O-N 3.17Å |
| 1903 | S | 28.4 | Very low | 43.5 | Very low | 127 Ų | 127 | 102.5 Ų | 102.5 | 89% | 0.888 | 56% | 0.558 | S | S | * | * | trans | -74.1 | 58.4 | 178.7 | 60.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1904 | I | 35.1 | Very low | 46 | Very low | 81 Ų | 81 | 95 Ų | 95 | 42% | 0.415 | 52% | 0.523 | S | S | . | . | trans | -135.8 | 79.4 | -170.8 | -59.9 | -172.7 | 0 | 0 | 0 | 109.1 | N1902 N1906 | N1902-I1904 PolarHBondContact O-N 3.17Å; I1904-N1906 HydrophobicContact CG2-CB 3.53Å; I1904-N1906 PolarHBondContact O-N 2.85Å; I1904-N1906 VanDerWaalsContact O-N 3.09Å | ||
| 1905 | T | 34.8 | Very low | 48.7 | Very low | 142 Ų | 142 | 92.5 Ų | 92.5 | 87% | 0.871 | 51% | 0.51 | S | S | * | . | trans | -76.7 | 60.9 | 154.2 | 52.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1906 | N | 39.5 | Very low | 51.4 | Low | 85 Ų | 85 | 89.8 Ų | 89.8 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | trans | -104.2 | 117.6 | 171.2 | -69.6 | 1.5 | 0 | 0 | 0 | 108.8 | I1904 N1908 N1909 | I1904-N1906 HydrophobicContact CG2-CB 3.53Å; I1904-N1906 PolarHBondContact O-N 2.85Å; I1904-N1906 VanDerWaalsContact O-N 3.09Å; N1906-N1908 PolarHBondContact O-N 3.07Å; N1906-N1909 PolarHBondContact O-N 2.84Å | ||
| 1907 | D | 48.8 | Very low | 54.2 | Low | 132 Ų | 132 | 85.6 Ų | 85.6 | 71% | 0.706 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.5 | -26.1 | -177.5 | -51.2 | -78.2 | 0 | 0 | 0 | 113 | N1909 V1910 E1911 | D1907-N1909 PolarHBondContact O-N 3.37Å; D1907-N1909 VanDerWaalsContact O-N 3.17Å; D1907-V1910 WeakPolarHBondContact O-CA 3.33Å; D1907-V1910 WeakPolarHBondContact O-CB 3.15Å; D1907-V1910 PolarHBondContact O-N 3.37Å; D1907-E1911 PolarHBondContact O-N 3.39Å |
| 1908 | N | 51.1 | Low | 57 | Low | 125 Ų | 125 | 85.4 Ų | 85.4 | 67% | 0.668 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -48.1 | -40.1 | 171.6 | -65.2 | -40 | 0 | 0 | 0 | 113.6 | N1906 S1912 | N1906-N1908 PolarHBondContact O-N 3.07Å; N1908-S1912 WeakPolarHBondContact O-CB 3.44Å; N1908-S1912 PolarHBondContact O-N 3.36Å; N1908-S1912 VanDerWaalsContact O-N 3.1Å; N1908-S1912 PolarHBondContact O-OG 2.93Å |
| 1909 | N | 65.2 | Low | 59.5 | Low | 97 Ų | 97 | 82.8 Ų | 82.8 | 52% | 0.519 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.8 | -38.6 | 178.5 | -74.6 | -3.8 | 0 | 0 | 0 | 111 | N1906 D1907 S1912 A1913 | N1906-N1909 PolarHBondContact O-N 2.84Å; D1907-N1909 PolarHBondContact O-N 3.37Å; D1907-N1909 VanDerWaalsContact O-N 3.17Å; N1909-S1912 PolarHBondContact O-OG 3.3Å; N1909-A1913 PolarHBondContact O-N 3.16Å |
| 1910 | V | 70.3 | Confident | 62.2 | Low | 67 Ų | 67 | 77.6 Ų | 77.6 | 41% | 0.406 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.7 | -44.8 | 178.3 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | D1907 S1912 A1913 I1914 | D1907-V1910 WeakPolarHBondContact O-CA 3.33Å; D1907-V1910 WeakPolarHBondContact O-CB 3.15Å; D1907-V1910 PolarHBondContact O-N 3.37Å; V1910-S1912 PolarHBondContact O-N 3.4Å; V1910-A1913 PolarHBondContact O-N 3.47Å; V1910-I1914 HydrophobicContact CG1-CD1 3.94Å; V1910-I1914 WeakPolarHBondContact O-CG1 3.49Å; V1910-I1914 PolarHBondContact O-N 3.05Å |
| 1911 | E | 72.9 | Confident | 64.9 | Low | 88 Ų | 88 | 72 Ų | 72 | 41% | 0.411 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.5 | -35.7 | -179.6 | -165.3 | 57.8 | -153.6 | 0 | 0 | 112.1 | D1907 A1913 I1914 I1915 | D1907-E1911 PolarHBondContact O-N 3.39Å; E1911-A1913 VanDerWaalsContact C-N 3.34Å; E1911-A1913 PolarHBondContact O-N 3.43Å; E1911-I1914 WeakPolarHBondContact O-CB 3.4Å; E1911-I1914 PolarHBondContact O-N 3.04Å; E1911-I1914 VanDerWaalsContact O-N 3.16Å; E1911-I1915 HydrophobicContact CG-CD1 4.39Å; E1911-I1915 WeakPolarHBondContact O-CG1 3.42Å; E1911-I1915 PolarHBondContact O-N 3.22Å |
| 1912 | S | 75.2 | Confident | 67.9 | Low | 70 Ų | 70 | 66.8 Ų | 66.8 | 49% | 0.49 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 171.7 | 66.3 | 0 | 0 | 0 | 0 | 113.1 | N1908 N1909 V1910 Q1916 | N1908-S1912 WeakPolarHBondContact O-CB 3.44Å; N1908-S1912 PolarHBondContact O-N 3.36Å; N1908-S1912 VanDerWaalsContact O-N 3.1Å; N1908-S1912 PolarHBondContact O-OG 2.93Å; N1909-S1912 PolarHBondContact O-OG 3.3Å; V1910-S1912 PolarHBondContact O-N 3.4Å; S1912-Q1916 PolarHBondContact O-N 3.13Å; S1912-Q1916 VanDerWaalsContact O-N 3.1Å |
| 1913 | A | 79.9 | Confident | 70.7 | Confident | 19 Ų | 19 | 65.2 Ų | 65.2 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.1 | -34.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1909 V1910 E1911 Q1916 L1917 | N1909-A1913 PolarHBondContact O-N 3.16Å; V1910-A1913 PolarHBondContact O-N 3.47Å; E1911-A1913 VanDerWaalsContact C-N 3.34Å; E1911-A1913 PolarHBondContact O-N 3.43Å; A1913-Q1916 PolarHBondContact O-N 3.34Å; A1913-L1917 WeakPolarHBondContact O-CB 3.11Å; A1913-L1917 PolarHBondContact O-N 2.84Å |
| 1914 | I | 83.4 | Confident | 73.5 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67 | -44 | 175.2 | -75 | 167.7 | 0 | 0 | 0 | 111.6 | K1861 R1865 V1910 E1911 Q1916 L1917 E1918 | K1861-I1914 HydrophobicContact CD-CG2 3.64Å; K1861-I1914 HydrophobicContact CG-CG2 4.06Å; R1865-I1914 VanDerWaalsContact NH1-CD1 3.31Å; V1910-I1914 HydrophobicContact CG1-CD1 3.94Å; V1910-I1914 WeakPolarHBondContact O-CG1 3.49Å; V1910-I1914 PolarHBondContact O-N 3.05Å; E1911-I1914 WeakPolarHBondContact O-CB 3.4Å; E1911-I1914 PolarHBondContact O-N 3.04Å; E1911-I1914 VanDerWaalsContact O-N 3.16Å; I1914-Q1916 VanDerWaalsContact C-N 3.27Å; I1914-Q1916 PolarHBondContact O-N 3.04Å; I1914-L1917 WeakPolarHBondContact O-CB 3.25Å; I1914-L1917 PolarHBondContact O-N 3.01Å; I1914-E1918 PolarHBondContact O-N 3.49Å |
| 1915 | I | 84.4 | Confident | 76.1 | Confident | 71 Ų | 71 | 59 Ų | 59 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.1 | -36.7 | 175 | -67.4 | 164 | 0 | 0 | 0 | 110.7 | E1911 E1918 R1919 | E1911-I1915 HydrophobicContact CG-CD1 4.39Å; E1911-I1915 WeakPolarHBondContact O-CG1 3.42Å; E1911-I1915 PolarHBondContact O-N 3.22Å; I1915-E1918 PolarHBondContact O-N 3.06Å; I1915-R1919 WeakPolarHBondContact O-CG 3.18Å; I1915-R1919 PolarHBondContact O-N 3.09Å; I1915-R1919 VanDerWaalsContact O-N 3.12Å |
| 1916 | Q | 86.6 | Confident | 78.8 | Confident | 30 Ų | 30 | 52.8 Ų | 52.8 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.3 | -32.2 | 176.4 | -162 | 62.7 | 19.9 | 0 | 0 | 112.7 | N1812 L1815 S1912 A1913 I1914 R1919 L1920 | N1812-Q1916 PolarHBondContact ND2-NE2 3.45Å; N1812-Q1916 VanDerWaalsContact OD1-CG 3.27Å; N1812-Q1916 WeakPolarHBondContact OD1-CG 3.35Å; N1812-Q1916 PolarHBondContact OD1-NE2 3.23Å; L1815-Q1916 HydrophobicContact CD1-CB 3.84Å; L1815-Q1916 HydrophobicContact CD1-CG 3.91Å; S1912-Q1916 PolarHBondContact O-N 3.13Å; S1912-Q1916 VanDerWaalsContact O-N 3.1Å; A1913-Q1916 PolarHBondContact O-N 3.34Å; I1914-Q1916 VanDerWaalsContact C-N 3.27Å; I1914-Q1916 PolarHBondContact O-N 3.04Å; Q1916-R1919 PolarHBondContact O-N 2.98Å; Q1916-L1920 WeakPolarHBondContact O-CG 3.49Å; Q1916-L1920 PolarHBondContact O-N 3.47Å; Q1916-L1920 VanDerWaalsContact O-N 3.14Å |
| 1917 | L | 89.1 | Confident | 81 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 169 | -178.1 | 66.7 | 0 | 0 | 0 | 111 | L1815 F1818 I1819 M1860 W1864 A1913 I1914 R1919 L1920 V1921 | L1815-L1917 HydrophobicContact CD2-CB 4.07Å; L1815-L1917 HydrophobicContact CD2-CD1 4.08Å; F1818-L1917 HydrophobicContact CD1-CD1 4.02Å; F1818-L1917 HydrophobicContact CE1-CD1 4.07Å; F1818-L1917 HydrophobicContact CE1-CD2 4.46Å; I1819-L1917 HydrophobicContact CD1-CD1 4.06Å; I1819-L1917 HydrophobicContact CG1-CD1 4.01Å; M1860-L1917 HydrophobicContact CB-CD2 4.35Å; W1864-L1917 HydrophobicContact CB-CD2 3.84Å; W1864-L1917 HydrophobicContact CG-CD2 4.1Å; A1913-L1917 WeakPolarHBondContact O-CB 3.11Å; A1913-L1917 PolarHBondContact O-N 2.84Å; I1914-L1917 WeakPolarHBondContact O-CB 3.25Å; I1914-L1917 PolarHBondContact O-N 3.01Å; L1917-R1919 PolarHBondContact O-N 2.91Å; L1917-L1920 PolarHBondContact O-N 3.2Å; L1917-V1921 HydrophobicContact CD1-CG2 4.36Å; L1917-V1921 HydrophobicContact CG-CG2 4.48Å; L1917-V1921 WeakPolarHBondContact O-CB 3.47Å; L1917-V1921 VanDerWaalsContact O-CG2 3.3Å; L1917-V1921 WeakPolarHBondContact O-CG2 3.4Å; L1917-V1921 PolarHBondContact O-N 3.07Å |
| 1918 | E | 88.7 | Confident | 82.6 | Confident | 57 Ų | 57 | 50.4 Ų | 50.4 | 27% | 0.266 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 174.8 | -76.7 | -177 | 141.6 | 0 | 0 | 112 | I1857 K1861 I1914 I1915 V1921 M1922 | I1857-E1918 HydrophobicContact CG2-CG 3.85Å; K1861-E1918 VanDerWaalsContact CE-CG 3.49Å; K1861-E1918 WeakPolarHBondContact CE-OE1 3.37Å; K1861-E1918 IonicContact NZ-OE1 3.34Å; K1861-E1918 PolarHBondContact NZ-OE1 3.07Å; K1861-E1918 IonicContact NZ-OE2 3.82Å; I1914-E1918 PolarHBondContact O-N 3.49Å; I1915-E1918 PolarHBondContact O-N 3.06Å; E1918-V1921 PolarHBondContact O-N 3.18Å; E1918-M1922 WeakPolarHBondContact O-CB 3.49Å; E1918-M1922 WeakPolarHBondContact O-CG 3.43Å; E1918-M1922 PolarHBondContact O-N 3.49Å |
| 1919 | R | 90.3 | Very high | 84.4 | Confident | 69 Ų | 69 | 44.5 Ų | 44.5 | 26% | 0.26 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.2 | -53 | 176 | -75.9 | 164.1 | 166.1 | 173.5 | -2.5 | 112 | I1915 Q1916 L1917 V1921 M1922 D1923 T1988 D1991 | I1915-R1919 WeakPolarHBondContact O-CG 3.18Å; I1915-R1919 PolarHBondContact O-N 3.09Å; I1915-R1919 VanDerWaalsContact O-N 3.12Å; Q1916-R1919 PolarHBondContact O-N 2.98Å; L1917-R1919 PolarHBondContact O-N 2.91Å; R1919-V1921 VanDerWaalsContact C-N 3.32Å; R1919-V1921 PolarHBondContact O-N 3.17Å; R1919-M1922 CarbonylContact O-C 3.59Å; R1919-M1922 PolarHBondContact O-N 3.33Å; R1919-M1922 VanDerWaalsContact O-N 3.16Å; R1919-D1923 PolarHBondContact O-N 2.81Å; R1919-T1988 HydrophobicContact CB-CG2 4.27Å; R1919-T1988 HydrophobicContact CG-CG2 3.65Å; R1919-D1991 IonicContact CZ-OD1 3.11Å; R1919-D1991 IonicContact CZ-OD2 2.84Å; R1919-D1991 IonicContact NE-OD1 3.74Å; R1919-D1991 IonicContact NE-OD2 3.7Å; R1919-D1991 PolarHBondContact NE-OD2 2.99Å; R1919-D1991 IonicContact NH2-OD1 3.84Å; R1919-D1991 PolarHBondContact NH2-OD1 3.04Å; R1919-D1991 IonicContact NH2-OD2 3.42Å; R1919-D1991 PolarHBondContact NH2-OD2 2.67Å |
| 1920 | L | 90.1 | Very high | 85.5 | Confident | 26 Ų | 26 | 40.2 Ų | 40.2 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.6 | -31.4 | -177.9 | -65.7 | 170.2 | 0 | 0 | 0 | 113.1 | L1815 I1819 Q1916 L1917 | L1815-L1920 HydrophobicContact CB-CD1 3.63Å; L1815-L1920 HydrophobicContact CD1-CD1 4.22Å; I1819-L1920 HydrophobicContact CD1-CB 3.39Å; I1819-L1920 HydrophobicContact CD1-CD1 4.28Å; I1819-L1920 HydrophobicContact CD1-CG 4.48Å; Q1916-L1920 WeakPolarHBondContact O-CG 3.49Å; Q1916-L1920 PolarHBondContact O-N 3.47Å; Q1916-L1920 VanDerWaalsContact O-N 3.14Å; L1917-L1920 PolarHBondContact O-N 3.2Å |
| 1921 | V | 90.9 | Very high | 86.3 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.8 | -42.6 | 171.9 | 171 | 0 | 0 | 0 | 0 | 110.9 | I1819 F1826 L1856 I1857 M1860 L1917 E1918 R1919 D1923 I1925 | I1819-V1921 HydrophobicContact CD1-CG2 4.18Å; I1819-V1921 HydrophobicContact CG1-CG2 4.42Å; F1826-V1921 HydrophobicContact CE1-CG1 4.25Å; F1826-V1921 HydrophobicContact CZ-CB 4.45Å; F1826-V1921 HydrophobicContact CZ-CG1 4.23Å; F1826-V1921 HydrophobicContact CZ-CG2 4.19Å; L1856-V1921 HydrophobicContact CD2-CG1 4.12Å; L1856-V1921 HydrophobicContact CG-CG1 4.21Å; I1857-V1921 HydrophobicContact CG1-CG1 4.07Å; M1860-V1921 HydrophobicContact CB-CG2 4.45Å; M1860-V1921 HydrophobicContact CG-CG2 4.12Å; L1917-V1921 HydrophobicContact CD1-CG2 4.36Å; L1917-V1921 HydrophobicContact CG-CG2 4.48Å; L1917-V1921 WeakPolarHBondContact O-CB 3.47Å; L1917-V1921 VanDerWaalsContact O-CG2 3.3Å; L1917-V1921 WeakPolarHBondContact O-CG2 3.4Å; L1917-V1921 PolarHBondContact O-N 3.07Å; E1918-V1921 PolarHBondContact O-N 3.18Å; R1919-V1921 VanDerWaalsContact C-N 3.32Å; R1919-V1921 PolarHBondContact O-N 3.17Å; V1921-D1923 VanDerWaalsContact C-N 3.33Å; V1921-D1923 PolarHBondContact O-N 3.39Å; V1921-I1925 WeakPolarHBondContact O-CG1 3.47Å; V1921-I1925 PolarHBondContact O-N 3.36Å |
| 1922 | M | 90.3 | Very high | 86.7 | Confident | 12 Ų | 12 | 35.5 Ų | 35.5 | 6% | 0.059 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.3 | -37.6 | 175 | -72.1 | -61.9 | -57.9 | 0 | 0 | 111.9 | V1853 I1857 E1918 R1919 E1924 I1925 Y1926 H1987 T1988 F2043 | V1853-M1922 HydrophobicContact CG1-SD 3.97Å; I1857-M1922 HydrophobicContact CD1-CG 4.48Å; I1857-M1922 HydrophobicContact CD1-SD 3.94Å; E1918-M1922 WeakPolarHBondContact O-CB 3.49Å; E1918-M1922 WeakPolarHBondContact O-CG 3.43Å; E1918-M1922 PolarHBondContact O-N 3.49Å; R1919-M1922 CarbonylContact O-C 3.59Å; R1919-M1922 PolarHBondContact O-N 3.33Å; R1919-M1922 VanDerWaalsContact O-N 3.16Å; M1922-E1924 PolarHBondContact O-N 3.32Å; M1922-I1925 PolarHBondContact O-N 2.94Å; M1922-I1925 HydrophobicContact SD-CD1 3.88Å; M1922-I1925 HydrophobicContact SD-CG1 4.4Å; M1922-Y1926 VanDerWaalsContact O-CB 3.25Å; M1922-Y1926 WeakPolarHBondContact O-CB 3.15Å; M1922-Y1926 PolarHBondContact O-N 3.13Å; M1922-H1987 WeakPolarHBondContact CE-O 3.44Å; M1922-T1988 HydrophobicContact CB-CG2 4.07Å; M1922-T1988 HydrophobicContact CG-CG2 4.11Å; M1922-F2043 HydrophobicContact CE-CE2 4.27Å; M1922-F2043 HydrophobicContact CE-CZ 3.64Å |
| 1923 | D | 89.1 | Confident | 86.8 | Confident | 68 Ų | 68 | 34.2 Ų | 34.2 | 36% | 0.364 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.5 | -42.9 | 178.6 | -72.1 | -32.4 | 0 | 0 | 0 | 112.9 | R1919 V1921 H1987 | R1919-D1923 PolarHBondContact O-N 2.81Å; V1921-D1923 VanDerWaalsContact C-N 3.33Å; V1921-D1923 PolarHBondContact O-N 3.39Å; D1923-H1987 WeakPolarHBondContact OD1-CB 3.46Å; D1923-H1987 IonicContact OD1-CE1 3.24Å; D1923-H1987 IonicContact OD1-CG 2.99Å; D1923-H1987 IonicContact OD1-ND1 3.06Å; D1923-H1987 PolarHBondContact OD1-ND1 2.98Å |
| 1924 | E | 87.9 | Confident | 86.8 | Confident | 79 Ų | 79 | 36.5 Ų | 36.5 | 37% | 0.369 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -71.5 | -34.8 | 178 | -68.7 | -96.9 | 138.7 | 0 | 0 | 112.1 | R1823 F1826 M1922 | R1823-E1924 IonicContact NH2-OE1 2.67Å; R1823-E1924 IonicContact NH2-OE2 2.68Å; R1823-E1924 PolarHBondContact NH2-OE2 3.46Å; F1826-E1924 HydrophobicContact CD1-CB 4.42Å; F1826-E1924 HydrophobicContact CE1-CB 3.85Å; F1826-E1924 HydrophobicContact CZ-CB 4.39Å; M1922-E1924 PolarHBondContact O-N 3.32Å |
| 1925 | I | 90.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -89.4 | -21.3 | -177.6 | 67.8 | 179.4 | 0 | 0 | 0 | 114.7 | F1826 F1829 V1853 L1856 V1921 M1922 P1927 F1928 V1929 | F1826-I1925 HydrophobicContact CD1-CG2 3.97Å; F1826-I1925 HydrophobicContact CE1-CG2 3.93Å; F1829-I1925 HydrophobicContact CD1-CG2 4.15Å; F1829-I1925 HydrophobicContact CE1-CB 4.2Å; F1829-I1925 HydrophobicContact CE1-CG2 3.78Å; F1829-I1925 HydrophobicContact CZ-CG2 4.38Å; V1853-I1925 HydrophobicContact CB-CD1 4.41Å; V1853-I1925 HydrophobicContact CG1-CD1 3.76Å; V1853-I1925 HydrophobicContact CG2-CD1 3.91Å; L1856-I1925 HydrophobicContact CD2-CG2 3.94Å; V1921-I1925 WeakPolarHBondContact O-CG1 3.47Å; V1921-I1925 PolarHBondContact O-N 3.36Å; M1922-I1925 PolarHBondContact O-N 2.94Å; M1922-I1925 HydrophobicContact SD-CD1 3.88Å; M1922-I1925 HydrophobicContact SD-CG1 4.4Å; I1925-P1927 VanDerWaalsContact C-N 3.33Å; I1925-P1927 VanDerWaalsContact O-N 3.14Å; I1925-F1928 WeakPolarHBondContact O-CB 3.42Å; I1925-F1928 WeakPolarHBondContact O-CD2 3.34Å; I1925-F1928 PolarHBondContact O-N 2.94Å; I1925-V1929 HydrophobicContact CB-CG2 3.93Å; I1925-V1929 HydrophobicContact CD1-CG2 4.02Å; I1925-V1929 HydrophobicContact CG1-CG2 3.73Å; I1925-V1929 WeakPolarHBondContact O-CG2 3.45Å; I1925-V1929 PolarHBondContact O-N 2.83Å |
| 1926 | Y | 90.3 | Very high | 86.7 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 4% | 0.039 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -49.6 | -39.2 | -174.9 | -178.6 | -106 | 0 | 0 | 0 | 115.4 | M1922 F1928 V1929 I1930 D1984 H1987 K1992 N2040 F2043 | M1922-Y1926 VanDerWaalsContact O-CB 3.25Å; M1922-Y1926 WeakPolarHBondContact O-CB 3.15Å; M1922-Y1926 PolarHBondContact O-N 3.13Å; Y1926-F1928 PolarHBondContact O-N 3.03Å; Y1926-F1928 VanDerWaalsContact O-N 3.1Å; Y1926-V1929 PolarHBondContact O-N 2.71Å; Y1926-I1930 HydrophobicContact CE1-CD1 4.06Å; Y1926-I1930 HydrophobicContact CE2-CB 4.4Å; Y1926-I1930 HydrophobicContact CE2-CD1 4.39Å; Y1926-I1930 WeakPolarHBondContact O-CB 3.49Å; Y1926-I1930 WeakPolarHBondContact O-CG2 3.22Å; Y1926-I1930 PolarHBondContact O-N 3.42Å; Y1926-D1984 PolarHBondContact OH-O 2.93Å; Y1926-H1987 HydrophobicContact CD1-CB 4.33Å; Y1926-H1987 AromaticContact CD1-CD2 3.18Å; Y1926-H1987 WeakPolarHBondContact CD1-CD2 3.23Å; Y1926-H1987 AromaticContact CD1-CG 3.71Å; Y1926-H1987 AromaticContact CD1-NE2 3.59Å; Y1926-H1987 HydrophobicContact CD2-CB 3.81Å; Y1926-H1987 AromaticContact CD2-CD2 3.98Å; Y1926-H1987 AromaticContact CE1-CD2 3.12Å; Y1926-H1987 WeakPolarHBondContact CE1-CD2 3.34Å; Y1926-H1987 AromaticContact CE1-NE2 3.56Å; Y1926-H1987 HydrophobicContact CE2-CB 4.29Å; Y1926-H1987 AromaticContact CE2-CD2 3.95Å; Y1926-H1987 HydrophobicContact CG-CB 3.8Å; Y1926-H1987 AromaticContact CG-CD2 3.6Å; Y1926-H1987 AromaticContact CG-CG 3.69Å; Y1926-H1987 AromaticContact CZ-CD2 3.49Å; Y1926-H1987 VanDerWaalsContact CZ-CD2 3.49Å; Y1926-K1992 PolarHBondContact OH-NZ 3.03Å; Y1926-N2040 PolarHBondContact OH-OD1 2.58Å; Y1926-F2043 HydrophobicContact CD2-CD2 4.47Å; Y1926-F2043 HydrophobicContact CD2-CE1 4.43Å; Y1926-F2043 AromaticContact CD2-CE2 3.79Å; Y1926-F2043 HydrophobicContact CD2-CE2 3.79Å; Y1926-F2043 AromaticContact CD2-CZ 3.77Å; Y1926-F2043 HydrophobicContact CD2-CZ 3.77Å; Y1926-F2043 HydrophobicContact CE2-CD1 4.46Å; Y1926-F2043 HydrophobicContact CE2-CD2 4.32Å; Y1926-F2043 HydrophobicContact CE2-CE1 4.16Å; Y1926-F2043 HydrophobicContact CE2-CE2 4.01Å; Y1926-F2043 AromaticContact CE2-CZ 3.92Å; Y1926-F2043 HydrophobicContact CE2-CZ 3.92Å |
| 1927 | P | 86.8 | Confident | 86.6 | Confident | 80 Ų | 80 | 41.9 Ų | 41.9 | 52% | 0.519 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.6 | -23.7 | 176.3 | -25.3 | 36.1 | 0 | 0 | 0 | 114.7 | I1925 | I1925-P1927 VanDerWaalsContact C-N 3.33Å; I1925-P1927 VanDerWaalsContact O-N 3.14Å |
| 1928 | F | 82.7 | Confident | 86.5 | Confident | 88 Ų | 88 | 42.3 Ų | 42.3 | 39% | 0.386 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -95.3 | -34.9 | -179.6 | -52.3 | -90.4 | 0 | 0 | 0 | 111.9 | H1830 F1833 I1925 Y1926 | H1830-F1928 AromaticContact CE1-CD1 3.89Å; H1830-F1928 AromaticContact CE1-CD2 3.67Å; H1830-F1928 AromaticContact CE1-CE1 3.68Å; H1830-F1928 AromaticContact CE1-CE2 3.46Å; H1830-F1928 VanDerWaalsContact CE1-CE2 3.46Å; H1830-F1928 WeakPolarHBondContact CE1-CE2 3.47Å; H1830-F1928 AromaticContact CE1-CG 3.89Å; H1830-F1928 AromaticContact CE1-CZ 3.46Å; H1830-F1928 VanDerWaalsContact CE1-CZ 3.46Å; H1830-F1928 WeakPolarHBondContact CE1-CZ 3.25Å; H1830-F1928 AromaticContact NE2-CE2 3.97Å; F1833-F1928 HydrophobicContact CE1-CB 4.21Å; F1833-F1928 HydrophobicContact CZ-CB 4.21Å; F1833-F1928 WeakPolarHBondContact CZ-O 3.49Å; I1925-F1928 WeakPolarHBondContact O-CB 3.42Å; I1925-F1928 WeakPolarHBondContact O-CD2 3.34Å; I1925-F1928 PolarHBondContact O-N 2.94Å; Y1926-F1928 PolarHBondContact O-N 3.03Å; Y1926-F1928 VanDerWaalsContact O-N 3.1Å |
| 1929 | V | 87.1 | Confident | 86.5 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -96.4 | -6.4 | -174.6 | -115.2 | 0 | 0 | 0 | 0 | 116 | F1833 V1849 V1853 I1925 Y1926 W1931 I1932 F2047 | F1833-V1929 HydrophobicContact CE2-CG1 4.46Å; V1849-V1929 HydrophobicContact CG1-CG1 3.17Å; V1853-V1929 HydrophobicContact CG2-CG1 4.01Å; V1853-V1929 HydrophobicContact CG2-CG2 4.42Å; I1925-V1929 HydrophobicContact CB-CG2 3.93Å; I1925-V1929 HydrophobicContact CD1-CG2 4.02Å; I1925-V1929 HydrophobicContact CG1-CG2 3.73Å; I1925-V1929 WeakPolarHBondContact O-CG2 3.45Å; I1925-V1929 PolarHBondContact O-N 2.83Å; Y1926-V1929 PolarHBondContact O-N 2.71Å; V1929-W1931 VanDerWaalsContact C-N 3.29Å; V1929-I1932 HydrophobicContact CG1-CD1 4.36Å; V1929-I1932 HydrophobicContact CG1-CG1 4.3Å; V1929-I1932 WeakPolarHBondContact O-CG1 3.26Å; V1929-F2047 HydrophobicContact CB-CE2 4.17Å; V1929-F2047 HydrophobicContact CB-CZ 4.1Å; V1929-F2047 HydrophobicContact CG1-CE1 4.49Å; V1929-F2047 HydrophobicContact CG1-CE2 4.02Å; V1929-F2047 HydrophobicContact CG1-CZ 3.52Å |
| 1930 | I | 88.6 | Confident | 86.4 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -68.9 | -26.8 | 171.4 | -171.9 | 174.5 | 0 | 0 | 0 | 112.9 | Y1926 | Y1926-I1930 HydrophobicContact CE1-CD1 4.06Å; Y1926-I1930 HydrophobicContact CE2-CB 4.4Å; Y1926-I1930 HydrophobicContact CE2-CD1 4.39Å; Y1926-I1930 WeakPolarHBondContact O-CB 3.49Å; Y1926-I1930 WeakPolarHBondContact O-CG2 3.22Å; Y1926-I1930 PolarHBondContact O-N 3.42Å |
| 1931 | W | 87.2 | Confident | 86.5 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 18% | 0.178 | 25% | 0.25 | C | C | . | . | trans | -130 | 81 | -178.1 | -63.1 | -52.2 | 0 | 0 | 0 | 111.5 | V1929 P1935 E1938 K1939 S2039 | V1929-W1931 VanDerWaalsContact C-N 3.29Å; W1931-P1935 HydrophobicContact CB-CB 3.78Å; W1931-P1935 HydrophobicContact CD2-CB 4.33Å; W1931-P1935 HydrophobicContact CE3-CB 4.2Å; W1931-P1935 HydrophobicContact CG-CB 4.22Å; W1931-E1938 WeakPolarHBondContact CA-OE2 3.24Å; W1931-E1938 VanDerWaalsContact CD1-CB 3.42Å; W1931-E1938 HydrophobicContact CG-CB 4.25Å; W1931-K1939 HydrophobicContact CD2-CG 4.29Å; W1931-K1939 HydrophobicContact CH2-CD 4.15Å; W1931-K1939 HydrophobicContact CH2-CG 4.07Å; W1931-K1939 HydrophobicContact CZ2-CD 4.08Å; W1931-K1939 HydrophobicContact CZ2-CG 3.49Å; W1931-K1939 VanDerWaalsContact CZ2-CG 3.49Å; W1931-S2039 PolarHBondContact NE1-OG 3.45Å | ||
| 1932 | I | 82.1 | Confident | 86.5 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 5% | 0.046 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -75.9 | -34.7 | -171.4 | -59.1 | 178.4 | 0 | 0 | 0 | 112.3 | R1845 V1846 V1849 V1929 N2046 F2047 | R1845-I1932 WeakPolarHBondContact CD-O 3.49Å; R1845-I1932 HydrophobicContact CG-CG2 4.03Å; R1845-I1932 PolarHBondContact NH1-O 3.13Å; R1845-I1932 VanDerWaalsContact NH1-O 3.08Å; V1846-I1932 HydrophobicContact CG2-CB 4.3Å; V1846-I1932 HydrophobicContact CG2-CD1 4.3Å; V1846-I1932 HydrophobicContact CG2-CG2 3.86Å; V1849-I1932 HydrophobicContact CB-CD1 4.44Å; V1849-I1932 HydrophobicContact CB-CG2 4.29Å; V1849-I1932 HydrophobicContact CG1-CD1 3.96Å; V1849-I1932 HydrophobicContact CG1-CG1 4.28Å; V1849-I1932 HydrophobicContact CG2-CG2 4.06Å; V1929-I1932 HydrophobicContact CG1-CD1 4.36Å; V1929-I1932 HydrophobicContact CG1-CG1 4.3Å; V1929-I1932 WeakPolarHBondContact O-CG1 3.26Å; I1932-N2046 HydrophobicContact CD1-CB 4.48Å; I1932-F2047 HydrophobicContact CD1-CE2 3.96Å; I1932-F2047 HydrophobicContact CD1-CZ 3.98Å |
| 1933 | N | 76.6 | Confident | 86.7 | Confident | 43 Ų | 43 | 53.2 Ų | 53.2 | 23% | 0.23 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -93.1 | -54.6 | -168.7 | -56.3 | -60.5 | 0 | 0 | 0 | 111.2 | P1842 R1845 E1938 E2042 | P1842-N1933 HydrophobicContact CB-CB 4.48Å; P1842-N1933 WeakPolarHBondContact CB-OD1 3.41Å; R1845-N1933 PolarHBondContact NH1-O 3.26Å; N1933-E1938 WeakPolarHBondContact CA-OE1 3.43Å; N1933-E1938 VanDerWaalsContact CB-OE1 3.31Å; N1933-E1938 WeakPolarHBondContact CB-OE1 3.31Å; N1933-E1938 PolarHBondContact N-OE1 3.07Å; N1933-E2042 PolarHBondContact ND2-OE1 3.46Å; N1933-E2042 VanDerWaalsContact ND2-OE1 3.1Å |
| 1934 | N | 80.1 | Confident | 86.8 | Confident | 66 Ų | 66 | 54.6 Ų | 54.6 | 35% | 0.353 | 28% | 0.279 | S | S | . | . | trans | -155.7 | 111.5 | 173.1 | -170 | -19.4 | 0 | 0 | 0 | 112.3 | S1936 V1937 E1938 | N1934-S1936 PolarHBondContact O-N 3.43Å; N1934-S1936 VanDerWaalsContact O-N 3.13Å; N1934-S1936 PolarHBondContact OD1-N 2.93Å; N1934-S1936 PolarHBondContact OD1-OG 2.83Å; N1934-V1937 HydrophobicContact CB-CB 4.24Å; N1934-V1937 HydrophobicContact CB-CG2 4.29Å; N1934-V1937 PolarHBondContact O-N 2.69Å; N1934-E1938 PolarHBondContact N-OE1 3.38Å; N1934-E1938 WeakPolarHBondContact O-CB 3.43Å; N1934-E1938 WeakPolarHBondContact O-CG 3.13Å; N1934-E1938 PolarHBondContact O-N 3.06Å | ||
| 1935 | P | 81.9 | Confident | 87 | Confident | 64 Ų | 64 | 51.6 Ų | 51.6 | 42% | 0.416 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -1 | -178.5 | 31.4 | -37.3 | 0 | 0 | 0 | 115.1 | W1931 K1939 | W1931-P1935 HydrophobicContact CB-CB 3.78Å; W1931-P1935 HydrophobicContact CD2-CB 4.33Å; W1931-P1935 HydrophobicContact CE3-CB 4.2Å; W1931-P1935 HydrophobicContact CG-CB 4.22Å; P1935-K1939 VanDerWaalsContact O-CD 3.3Å; P1935-K1939 WeakPolarHBondContact O-CD 3.48Å; P1935-K1939 WeakPolarHBondContact O-CE 3.32Å; P1935-K1939 VanDerWaalsContact O-CG 3.28Å; P1935-K1939 WeakPolarHBondContact O-CG 3.45Å; P1935-K1939 PolarHBondContact O-NZ 3.11Å |
| 1936 | S | 83.3 | Confident | 87.2 | Confident | 70 Ų | 70 | 55.6 Ų | 55.6 | 49% | 0.49 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -61.3 | 164.3 | 61.2 | 0 | 0 | 0 | 0 | 110.8 | N1934 E1938 K1939 E1940 | N1934-S1936 PolarHBondContact O-N 3.43Å; N1934-S1936 VanDerWaalsContact O-N 3.13Å; N1934-S1936 PolarHBondContact OD1-N 2.93Å; N1934-S1936 PolarHBondContact OD1-OG 2.83Å; S1936-E1938 VanDerWaalsContact C-N 3.32Å; S1936-E1938 PolarHBondContact O-N 3.26Å; S1936-K1939 WeakPolarHBondContact O-CB 3.26Å; S1936-K1939 PolarHBondContact O-N 3.16Å; S1936-K1939 VanDerWaalsContact O-N 3.08Å; S1936-E1940 PolarHBondContact O-N 2.89Å |
| 1937 | V | 85.6 | Confident | 87.2 | Confident | 80 Ų | 80 | 62.5 Ų | 62.5 | 49% | 0.485 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.7 | -41 | -177.1 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | N1934 K1939 E1940 R1941 | N1934-V1937 HydrophobicContact CB-CB 4.24Å; N1934-V1937 HydrophobicContact CB-CG2 4.29Å; N1934-V1937 PolarHBondContact O-N 2.69Å; V1937-K1939 VanDerWaalsContact C-N 3.33Å; V1937-K1939 PolarHBondContact O-N 3.4Å; V1937-E1940 PolarHBondContact O-N 2.95Å; V1937-R1941 VanDerWaalsContact O-CB 3.23Å; V1937-R1941 WeakPolarHBondContact O-CB 3.47Å; V1937-R1941 PolarHBondContact O-N 3.04Å |
| 1938 | E | 87.2 | Confident | 87.3 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 5% | 0.051 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.4 | -29.8 | -179.9 | -67.8 | 176.8 | -124.9 | 0 | 0 | 112.9 | W1931 N1933 N1934 S1936 D1942 | W1931-E1938 WeakPolarHBondContact CA-OE2 3.24Å; W1931-E1938 VanDerWaalsContact CD1-CB 3.42Å; W1931-E1938 HydrophobicContact CG-CB 4.25Å; N1933-E1938 WeakPolarHBondContact CA-OE1 3.43Å; N1933-E1938 VanDerWaalsContact CB-OE1 3.31Å; N1933-E1938 WeakPolarHBondContact CB-OE1 3.31Å; N1933-E1938 PolarHBondContact N-OE1 3.07Å; N1934-E1938 PolarHBondContact N-OE1 3.38Å; N1934-E1938 WeakPolarHBondContact O-CB 3.43Å; N1934-E1938 WeakPolarHBondContact O-CG 3.13Å; N1934-E1938 PolarHBondContact O-N 3.06Å; S1936-E1938 VanDerWaalsContact C-N 3.32Å; S1936-E1938 PolarHBondContact O-N 3.26Å; E1938-D1942 PolarHBondContact O-N 3.3Å |
| 1939 | K | 88.8 | Confident | 87.8 | Confident | 85 Ų | 85 | 57.3 Ų | 57.3 | 37% | 0.37 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.5 | -48.2 | 171.9 | -71.4 | -175.3 | -171.3 | 103.9 | 0 | 111.6 | W1931 P1935 S1936 V1937 R1941 D1942 E1943 | W1931-K1939 HydrophobicContact CD2-CG 4.29Å; W1931-K1939 HydrophobicContact CH2-CD 4.15Å; W1931-K1939 HydrophobicContact CH2-CG 4.07Å; W1931-K1939 HydrophobicContact CZ2-CD 4.08Å; W1931-K1939 HydrophobicContact CZ2-CG 3.49Å; W1931-K1939 VanDerWaalsContact CZ2-CG 3.49Å; P1935-K1939 VanDerWaalsContact O-CD 3.3Å; P1935-K1939 WeakPolarHBondContact O-CD 3.48Å; P1935-K1939 WeakPolarHBondContact O-CE 3.32Å; P1935-K1939 VanDerWaalsContact O-CG 3.28Å; P1935-K1939 WeakPolarHBondContact O-CG 3.45Å; P1935-K1939 PolarHBondContact O-NZ 3.11Å; S1936-K1939 WeakPolarHBondContact O-CB 3.26Å; S1936-K1939 PolarHBondContact O-N 3.16Å; S1936-K1939 VanDerWaalsContact O-N 3.08Å; V1937-K1939 VanDerWaalsContact C-N 3.33Å; V1937-K1939 PolarHBondContact O-N 3.4Å; K1939-R1941 VanDerWaalsContact C-N 3.3Å; K1939-R1941 PolarHBondContact O-N 3.09Å; K1939-D1942 PolarHBondContact O-N 2.89Å; K1939-D1942 VanDerWaalsContact O-N 3.08Å; K1939-E1943 PolarHBondContact O-N 2.7Å |
| 1940 | E | 88.1 | Confident | 88 | Confident | 119 Ų | 119 | 59.1 Ų | 59.1 | 56% | 0.556 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.3 | -44.4 | 179 | -177.3 | 175.7 | -164.6 | 0 | 0 | 111 | S1936 V1937 D1942 E1943 L1944 | S1936-E1940 PolarHBondContact O-N 2.89Å; V1937-E1940 PolarHBondContact O-N 2.95Å; E1940-D1942 VanDerWaalsContact C-N 3.33Å; E1940-D1942 PolarHBondContact O-N 3.17Å; E1940-E1943 PolarHBondContact O-N 3.5Å; E1940-L1944 HydrophobicContact CG-CD1 4.1Å; E1940-L1944 HydrophobicContact CG-CG 4.49Å; E1940-L1944 WeakPolarHBondContact O-CB 3.14Å; E1940-L1944 VanDerWaalsContact O-CG 3.31Å; E1940-L1944 WeakPolarHBondContact O-CG 3.27Å; E1940-L1944 PolarHBondContact O-N 2.66Å |
| 1941 | R | 90.7 | Very high | 87.9 | Confident | 75 Ų | 75 | 63.7 Ų | 63.7 | 28% | 0.283 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.4 | -43 | 172.3 | -179.2 | -168.7 | 67 | 173.1 | -2.2 | 113.1 | V1937 K1939 F1945 L2038 S2039 E2042 | V1937-R1941 VanDerWaalsContact O-CB 3.23Å; V1937-R1941 WeakPolarHBondContact O-CB 3.47Å; V1937-R1941 PolarHBondContact O-N 3.04Å; K1939-R1941 VanDerWaalsContact C-N 3.3Å; K1939-R1941 PolarHBondContact O-N 3.09Å; R1941-F1945 WeakPolarHBondContact O-CB 3.45Å; R1941-F1945 PolarHBondContact O-N 2.85Å; R1941-L2038 HydrophobicContact CG-CD1 3.98Å; R1941-S2039 PolarHBondContact NH2-OG 3.08Å; R1941-E2042 IonicContact CZ-OE2 3.09Å; R1941-E2042 IonicContact NH1-OE2 3.14Å; R1941-E2042 PolarHBondContact NH1-OE2 3.33Å; R1941-E2042 IonicContact NH2-OE2 3.1Å; R1941-E2042 PolarHBondContact NH2-OE2 2.92Å |
| 1942 | D | 92.7 | Very high | 88 | Confident | 9 Ų | 9 | 61.8 Ų | 61.8 | 5% | 0.048 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.2 | -38.8 | 176.3 | -94.7 | -37 | 0 | 0 | 0 | 112.5 | E1938 K1939 E1940 F1945 H1946 R2036 L2037 L2038 S2039 | E1938-D1942 PolarHBondContact O-N 3.3Å; K1939-D1942 PolarHBondContact O-N 2.89Å; K1939-D1942 VanDerWaalsContact O-N 3.08Å; E1940-D1942 VanDerWaalsContact C-N 3.33Å; E1940-D1942 PolarHBondContact O-N 3.17Å; D1942-F1945 PolarHBondContact O-N 3.16Å; D1942-H1946 VanDerWaalsContact O-CB 3.27Å; D1942-H1946 WeakPolarHBondContact O-CB 3.39Å; D1942-H1946 PolarHBondContact O-N 2.92Å; D1942-R2036 VanDerWaalsContact CG-CA 3.45Å; D1942-R2036 VanDerWaalsContact OD1-C 3.24Å; D1942-R2036 WeakPolarHBondContact OD2-CA 3.43Å; D1942-L2037 PolarHBondContact OD1-N 3.47Å; D1942-L2038 WeakPolarHBondContact OD1-CA 3.38Å; D1942-L2038 VanDerWaalsContact OD1-CB 3.24Å; D1942-L2038 WeakPolarHBondContact OD1-CB 3.38Å; D1942-L2038 PolarHBondContact OD1-N 2.91Å; D1942-S2039 PolarHBondContact OD1-N 3.46Å; D1942-S2039 WeakPolarHBondContact OD2-CB 3.39Å; D1942-S2039 PolarHBondContact OD2-N 2.79Å; D1942-S2039 VanDerWaalsContact OD2-N 3.17Å; D1942-S2039 PolarHBondContact OD2-OG 3.11Å |
| 1943 | E | 93.1 | Very high | 88.3 | Confident | 106 Ų | 106 | 64.1 Ų | 64.1 | 50% | 0.495 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 176.6 | -78.3 | -164.3 | -151.2 | 0 | 0 | 112.2 | K1939 E1940 F1945 H1946 R1947 | K1939-E1943 PolarHBondContact O-N 2.7Å; E1940-E1943 PolarHBondContact O-N 3.5Å; E1943-F1945 VanDerWaalsContact C-N 3.35Å; E1943-H1946 PolarHBondContact O-N 3.45Å; E1943-R1947 VanDerWaalsContact O-CG 3.25Å; E1943-R1947 WeakPolarHBondContact O-CG 3.5Å; E1943-R1947 PolarHBondContact O-N 3.49Å; E1943-R1947 IonicContact OE2-CZ 2.94Å; E1943-R1947 IonicContact OE2-NH2 3.55Å; E1943-R1947 PolarHBondContact OE2-NH2 3.35Å |
| 1944 | L | 92 | Very high | 88.6 | Confident | 98 Ų | 98 | 69 Ų | 69 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 175.4 | -69.7 | 171.1 | 0 | 0 | 0 | 110.9 | E1940 H1946 R1947 E1948 | E1940-L1944 HydrophobicContact CG-CD1 4.1Å; E1940-L1944 HydrophobicContact CG-CG 4.49Å; E1940-L1944 WeakPolarHBondContact O-CB 3.14Å; E1940-L1944 VanDerWaalsContact O-CG 3.31Å; E1940-L1944 WeakPolarHBondContact O-CG 3.27Å; E1940-L1944 PolarHBondContact O-N 2.66Å; L1944-H1946 VanDerWaalsContact C-N 3.34Å; L1944-H1946 PolarHBondContact O-N 2.9Å; L1944-R1947 PolarHBondContact O-N 3.1Å; L1944-E1948 PolarHBondContact O-N 3.02Å |
| 1945 | F | 92.5 | Very high | 88.7 | Confident | 16 Ų | 16 | 68 Ų | 68 | 7% | 0.07 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.4 | -35.9 | 177.6 | -163.3 | -112.2 | 0 | 0 | 0 | 112.7 | R1941 D1942 E1943 L1949 L2037 L2038 V2067 I2070 R2071 M2074 | R1941-F1945 WeakPolarHBondContact O-CB 3.45Å; R1941-F1945 PolarHBondContact O-N 2.85Å; D1942-F1945 PolarHBondContact O-N 3.16Å; E1943-F1945 VanDerWaalsContact C-N 3.35Å; F1945-L1949 HydrophobicContact CD1-CD1 3.65Å; F1945-L1949 HydrophobicContact CD1-CG 4.38Å; F1945-L1949 HydrophobicContact CE1-CD1 3.66Å; F1945-L1949 HydrophobicContact CE1-CG 4.27Å; F1945-L1949 HydrophobicContact CG-CD1 4.49Å; F1945-L1949 HydrophobicContact CZ-CD1 4.49Å; F1945-L1949 WeakPolarHBondContact O-CB 3.33Å; F1945-L1949 WeakPolarHBondContact O-CG 3.48Å; F1945-L1949 PolarHBondContact O-N 3Å; F1945-L2037 HydrophobicContact CD1-CD2 4.49Å; F1945-L2037 HydrophobicContact CE1-CD2 3.83Å; F1945-L2037 HydrophobicContact CE1-CG 4.33Å; F1945-L2038 HydrophobicContact CB-CD1 3.75Å; F1945-L2038 HydrophobicContact CB-CG 4.18Å; F1945-L2038 HydrophobicContact CD1-CD1 3.95Å; F1945-L2038 HydrophobicContact CD1-CD2 3.52Å; F1945-L2038 HydrophobicContact CD1-CG 3.65Å; F1945-L2038 HydrophobicContact CD2-CD1 4.01Å; F1945-L2038 HydrophobicContact CD2-CD2 4.49Å; F1945-L2038 HydrophobicContact CE1-CD2 3.45Å; F1945-L2038 VanDerWaalsContact CE1-CD2 3.45Å; F1945-L2038 HydrophobicContact CE1-CG 4.14Å; F1945-L2038 HydrophobicContact CE2-CD2 4.45Å; F1945-L2038 HydrophobicContact CG-CD1 3.64Å; F1945-L2038 HydrophobicContact CG-CD2 4.07Å; F1945-L2038 HydrophobicContact CG-CG 3.89Å; F1945-L2038 HydrophobicContact CZ-CD2 3.96Å; F1945-V2067 HydrophobicContact CE1-CG1 4.26Å; F1945-V2067 HydrophobicContact CZ-CG1 4.05Å; F1945-I2070 HydrophobicContact CE2-CG2 4.32Å; F1945-I2070 HydrophobicContact CZ-CG2 3.85Å; F1945-R2071 HydrophobicContact CE2-CG 3.6Å; F1945-R2071 HydrophobicContact CZ-CG 4.04Å; F1945-M2074 HydrophobicContact CD2-CE 3.82Å; F1945-M2074 HydrophobicContact CD2-SD 3.71Å; F1945-M2074 HydrophobicContact CE2-CE 3.51Å; F1945-M2074 HydrophobicContact CE2-SD 3.39Å; F1945-M2074 WeakPolarHBondContact CE2-SD 3.41Å; F1945-M2074 HydrophobicContact CZ-CE 4.04Å; F1945-M2074 HydrophobicContact CZ-SD 4.38Å |
| 1946 | H | 93.7 | Very high | 88.9 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 39% | 0.389 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 175.3 | -174.4 | 72.9 | 0 | 0 | 0 | 112.6 | D1942 E1943 L1944 A1950 N2033 | D1942-H1946 VanDerWaalsContact O-CB 3.27Å; D1942-H1946 WeakPolarHBondContact O-CB 3.39Å; D1942-H1946 PolarHBondContact O-N 2.92Å; E1943-H1946 PolarHBondContact O-N 3.45Å; L1944-H1946 VanDerWaalsContact C-N 3.34Å; L1944-H1946 PolarHBondContact O-N 2.9Å; H1946-A1950 PolarHBondContact O-N 2.91Å; H1946-A1950 VanDerWaalsContact O-N 3.16Å; H1946-N2033 VanDerWaalsContact CE1-CG 3.47Å; H1946-N2033 PolarHBondContact CE1-ND2 2.85Å; H1946-N2033 PolarHBondContact CE1-O 3.18Å; H1946-N2033 PolarHBondContact CE1-OD1 3.18Å; H1946-N2033 PolarHBondContact ND1-ND2 3.44Å; H1946-N2033 PolarHBondContact ND1-OD1 2.77Å; H1946-N2033 PolarHBondContact O-ND2 3.21Å |
| 1947 | R | 90.8 | Very high | 88.9 | Confident | 154 Ų | 154 | 64.7 Ų | 64.7 | 58% | 0.581 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.6 | -46.3 | 173.7 | -67.7 | 168.6 | -158.3 | -165.5 | 8.7 | 111.1 | E1943 L1944 A1950 F1951 | E1943-R1947 VanDerWaalsContact O-CG 3.25Å; E1943-R1947 WeakPolarHBondContact O-CG 3.5Å; E1943-R1947 PolarHBondContact O-N 3.49Å; E1943-R1947 IonicContact OE2-CZ 2.94Å; E1943-R1947 IonicContact OE2-NH2 3.55Å; E1943-R1947 PolarHBondContact OE2-NH2 3.35Å; L1944-R1947 PolarHBondContact O-N 3.1Å; R1947-A1950 WeakPolarHBondContact O-CB 3.35Å; R1947-A1950 PolarHBondContact O-N 2.97Å; R1947-A1950 VanDerWaalsContact O-N 3.14Å; R1947-F1951 PolarHBondContact O-N 2.91Å; R1947-F1951 VanDerWaalsContact O-N 3.1Å |
| 1948 | E | 89.1 | Confident | 88.9 | Confident | 59 Ų | 59 | 62.2 Ų | 62.2 | 28% | 0.276 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.8 | -36.6 | 179.3 | -170.2 | 58.5 | -152.1 | 0 | 0 | 112.2 | L1944 A1950 F1951 L1952 M2074 | L1944-E1948 PolarHBondContact O-N 3.02Å; E1948-A1950 VanDerWaalsContact C-N 3.32Å; E1948-A1950 PolarHBondContact O-N 3.37Å; E1948-F1951 PolarHBondContact O-N 2.94Å; E1948-F1951 VanDerWaalsContact O-N 3.16Å; E1948-L1952 PolarHBondContact O-N 3.14Å; E1948-M2074 HydrophobicContact CB-CE 3.87Å; E1948-M2074 HydrophobicContact CB-SD 4.16Å; E1948-M2074 HydrophobicContact CG-CB 4.24Å; E1948-M2074 HydrophobicContact CG-CE 3.67Å; E1948-M2074 HydrophobicContact CG-CG 3.55Å; E1948-M2074 HydrophobicContact CG-SD 3.61Å |
| 1949 | L | 91.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.7 | -42.8 | 169.2 | -84.3 | 164.5 | 0 | 0 | 0 | 111.9 | F1945 F1951 L1952 Q1953 I2030 N2033 L2037 I2070 M2074 | F1945-L1949 HydrophobicContact CD1-CD1 3.65Å; F1945-L1949 HydrophobicContact CD1-CG 4.38Å; F1945-L1949 HydrophobicContact CE1-CD1 3.66Å; F1945-L1949 HydrophobicContact CE1-CG 4.27Å; F1945-L1949 HydrophobicContact CG-CD1 4.49Å; F1945-L1949 HydrophobicContact CZ-CD1 4.49Å; F1945-L1949 WeakPolarHBondContact O-CB 3.33Å; F1945-L1949 WeakPolarHBondContact O-CG 3.48Å; F1945-L1949 PolarHBondContact O-N 3Å; L1949-F1951 VanDerWaalsContact C-N 3.29Å; L1949-F1951 PolarHBondContact O-N 3.36Å; L1949-L1952 PolarHBondContact O-N 3.13Å; L1949-Q1953 WeakPolarHBondContact O-CG 3.46Å; L1949-Q1953 PolarHBondContact O-N 2.78Å; L1949-I2030 HydrophobicContact CD2-CG1 4.19Å; L1949-N2033 HydrophobicContact CB-CB 4.25Å; L1949-N2033 VanDerWaalsContact CB-CG 3.46Å; L1949-N2033 VanDerWaalsContact CB-OD1 3.28Å; L1949-N2033 WeakPolarHBondContact CB-OD1 2.99Å; L1949-N2033 VanDerWaalsContact CD1-OD1 3.23Å; L1949-N2033 WeakPolarHBondContact CD1-OD1 3.35Å; L1949-L2037 HydrophobicContact CD1-CD2 4.2Å; L1949-I2070 HydrophobicContact CD2-CG2 3.99Å; L1949-M2074 HydrophobicContact CD2-CE 4.29Å; L1949-M2074 HydrophobicContact CG-CE 3.93Å |
| 1950 | A | 91.2 | Very high | 88.3 | Confident | 38 Ų | 38 | 64.3 Ų | 64.3 | 31% | 0.314 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.8 | -30.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | H1946 R1947 E1948 N2033 | H1946-A1950 PolarHBondContact O-N 2.91Å; H1946-A1950 VanDerWaalsContact O-N 3.16Å; R1947-A1950 WeakPolarHBondContact O-CB 3.35Å; R1947-A1950 PolarHBondContact O-N 2.97Å; R1947-A1950 VanDerWaalsContact O-N 3.14Å; E1948-A1950 VanDerWaalsContact C-N 3.32Å; E1948-A1950 PolarHBondContact O-N 3.37Å; A1950-N2033 PolarHBondContact N-ND2 2.85Å |
| 1951 | F | 88.1 | Confident | 88.1 | Confident | 103 Ų | 103 | 59 Ų | 59 | 45% | 0.452 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -72.1 | -39.1 | 172.1 | -177.4 | -140.9 | 0 | 0 | 0 | 112.2 | R1947 E1948 L1949 Q1953 N1954 T1955 R2077 | R1947-F1951 PolarHBondContact O-N 2.91Å; R1947-F1951 VanDerWaalsContact O-N 3.1Å; E1948-F1951 PolarHBondContact O-N 2.94Å; E1948-F1951 VanDerWaalsContact O-N 3.16Å; L1949-F1951 VanDerWaalsContact C-N 3.29Å; L1949-F1951 PolarHBondContact O-N 3.36Å; F1951-Q1953 VanDerWaalsContact C-N 3.34Å; F1951-Q1953 PolarHBondContact O-N 3.24Å; F1951-N1954 PolarHBondContact O-N 2.84Å; F1951-T1955 PolarHBondContact O-N 3.41Å; F1951-T1955 PolarHBondContact O-OG1 2.86Å; F1951-R2077 VanDerWaalsContact CE1-NH1 3.25Å; F1951-R2077 VanDerWaalsContact CZ-CZ 3.42Å |
| 1952 | L | 88.2 | Confident | 87.8 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63 | -35.7 | 172 | -69.8 | 177.1 | 0 | 0 | 0 | 112.6 | E1948 L1949 N1954 T1955 V1956 I2030 I2070 M2074 | E1948-L1952 PolarHBondContact O-N 3.14Å; L1949-L1952 PolarHBondContact O-N 3.13Å; L1952-N1954 PolarHBondContact O-N 2.89Å; L1952-T1955 PolarHBondContact O-N 3.08Å; L1952-V1956 HydrophobicContact CB-CG2 4.22Å; L1952-V1956 HydrophobicContact CD2-CG2 3.97Å; L1952-V1956 PolarHBondContact O-N 3.21Å; L1952-I2030 HydrophobicContact CB-CG2 3.88Å; L1952-I2030 HydrophobicContact CD1-CD1 4.48Å; L1952-I2070 HydrophobicContact CD1-CG2 4.2Å; L1952-M2074 HydrophobicContact CD1-CE 3.68Å; L1952-M2074 HydrophobicContact CD1-CG 3.88Å |
| 1953 | Q | 88.9 | Confident | 87.5 | Confident | 59 Ų | 59 | 60.5 Ų | 60.5 | 28% | 0.276 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56 | -32.7 | 176 | -73 | -171.3 | -4.6 | 0 | 0 | 113.9 | L1949 F1951 I2030 H2031 N2033 | L1949-Q1953 WeakPolarHBondContact O-CG 3.46Å; L1949-Q1953 PolarHBondContact O-N 2.78Å; F1951-Q1953 VanDerWaalsContact C-N 3.34Å; F1951-Q1953 PolarHBondContact O-N 3.24Å; Q1953-I2030 HydrophobicContact CG-CG2 3.96Å; Q1953-I2030 WeakPolarHBondContact CG-O 3.44Å; Q1953-I2030 PolarHBondContact NE2-O 2.97Å; Q1953-H2031 PolarHBondContact NE2-O 2.91Å; Q1953-H2031 PolarHBondContact O-CE1 2.91Å; Q1953-N2033 VanDerWaalsContact NE2-CB 3.34Å |
| 1954 | N | 83.1 | Confident | 87 | Confident | 145 Ų | 145 | 58.5 Ų | 58.5 | 78% | 0.775 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -88.8 | -10.8 | 179.2 | -64.7 | -34.7 | 0 | 0 | 0 | 112.9 | F1951 L1952 | F1951-N1954 PolarHBondContact O-N 2.84Å; L1952-N1954 PolarHBondContact O-N 2.89Å |
| 1955 | T | 83.1 | Confident | 86.6 | Confident | 46 Ų | 46 | 59.3 Ų | 59.3 | 28% | 0.282 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -99.5 | -53.5 | -179.2 | -48.6 | 0 | 0 | 0 | 0 | 111.3 | F1951 L1952 T1957 R2077 | F1951-T1955 PolarHBondContact O-N 3.41Å; F1951-T1955 PolarHBondContact O-OG1 2.86Å; L1952-T1955 PolarHBondContact O-N 3.08Å; T1955-T1957 PolarHBondContact O-N 3.4Å; T1955-R2077 PolarHBondContact OG1-NH1 3.45Å; T1955-R2077 VanDerWaalsContact OG1-NH1 3.12Å; T1955-R2077 PolarHBondContact OG1-NH2 3.36Å |
| 1956 | V | 84.7 | Confident | 86.1 | Confident | 13 Ų | 13 | 60.4 Ų | 60.4 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | trans | -85.3 | 109.1 | -157.8 | -179 | 0 | 0 | 0 | 0 | 112.4 | L1952 E1960 L1961 I2030 | L1952-V1956 HydrophobicContact CB-CG2 4.22Å; L1952-V1956 HydrophobicContact CD2-CG2 3.97Å; L1952-V1956 PolarHBondContact O-N 3.21Å; V1956-E1960 WeakPolarHBondContact CA-OE2 3.48Å; V1956-L1961 HydrophobicContact CG1-CD1 3.61Å; V1956-L1961 HydrophobicContact CG1-CD2 4.15Å; V1956-L1961 HydrophobicContact CG1-CG 3.56Å; V1956-I2030 HydrophobicContact CB-CD1 4.49Å; V1956-I2030 HydrophobicContact CG1-CD1 4.33Å; V1956-I2030 HydrophobicContact CG2-CD1 4.41Å | ||
| 1957 | T | 84.3 | Confident | 85.7 | Confident | 51 Ų | 51 | 56.8 Ų | 56.8 | 31% | 0.313 | 30% | 0.298 | S | S | . | . | trans | -85.2 | 159 | 173.6 | 66.8 | 0 | 0 | 0 | 0 | 113.2 | T1955 T1959 E1960 L1961 | T1955-T1957 PolarHBondContact O-N 3.4Å; T1957-T1959 PolarHBondContact O-N 3.08Å; T1957-T1959 PolarHBondContact OG1-OG1 3.44Å; T1957-E1960 VanDerWaalsContact CB-OE1 3.29Å; T1957-E1960 WeakPolarHBondContact CB-OE1 3.33Å; T1957-E1960 WeakPolarHBondContact CG2-OE1 3.3Å; T1957-E1960 PolarHBondContact N-OE1 2.9Å; T1957-E1960 PolarHBondContact N-OE2 2.89Å; T1957-E1960 PolarHBondContact O-N 3.12Å; T1957-E1960 VanDerWaalsContact O-N 3.09Å; T1957-E1960 WeakPolarHBondContact OG1-CG 3.39Å; T1957-E1960 PolarHBondContact OG1-N 3.4Å; T1957-E1960 PolarHBondContact OG1-OE1 3.41Å; T1957-L1961 PolarHBondContact O-N 3.16Å | ||
| 1958 | P | 84.2 | Confident | 85.5 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31.4 | 173.4 | -25.9 | 34.7 | 0 | 0 | 0 | 114 | I1963 L1971 Y2027 | P1958-I1963 HydrophobicContact CB-CD1 4.31Å; P1958-I1963 WeakPolarHBondContact O-CB 3.42Å; P1958-I1963 PolarHBondContact O-N 3.34Å; P1958-I1963 VanDerWaalsContact O-N 3.07Å; P1958-L1971 HydrophobicContact CB-CD1 3.77Å; P1958-L1971 HydrophobicContact CG-CD1 3.87Å; P1958-Y2027 HydrophobicContact CB-CE2 4.48Å; P1958-Y2027 HydrophobicContact CG-CD2 4.33Å; P1958-Y2027 HydrophobicContact CG-CE2 3.65Å |
| 1959 | T | 81.4 | Confident | 85.2 | Confident | 85 Ų | 85 | 56.6 Ų | 56.6 | 52% | 0.521 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -37.3 | 175.9 | 26.5 | 0 | 0 | 0 | 0 | 113.1 | T1957 R1962 | T1957-T1959 PolarHBondContact O-N 3.08Å; T1957-T1959 PolarHBondContact OG1-OG1 3.44Å; T1959-R1962 PolarHBondContact O-N 3.44Å; T1959-R1962 VanDerWaalsContact O-N 3.1Å |
| 1960 | E | 82 | Confident | 84.8 | Confident | 56 Ų | 56 | 58 Ų | 58 | 26% | 0.262 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -37.5 | 179.3 | -77.6 | 155.4 | -122 | 0 | 0 | 112.5 | L1183 V1956 T1957 R1962 | L1183-E1960 HydrophobicContact CD2-CB 3.66Å; L1183-E1960 HydrophobicContact CD2-CG 4Å; L1183-E1960 WeakPolarHBondContact CD2-O 3.35Å; V1956-E1960 WeakPolarHBondContact CA-OE2 3.48Å; T1957-E1960 VanDerWaalsContact CB-OE1 3.29Å; T1957-E1960 WeakPolarHBondContact CB-OE1 3.33Å; T1957-E1960 WeakPolarHBondContact CG2-OE1 3.3Å; T1957-E1960 PolarHBondContact N-OE1 2.9Å; T1957-E1960 PolarHBondContact N-OE2 2.89Å; T1957-E1960 PolarHBondContact O-N 3.12Å; T1957-E1960 VanDerWaalsContact O-N 3.09Å; T1957-E1960 WeakPolarHBondContact OG1-CG 3.39Å; T1957-E1960 PolarHBondContact OG1-N 3.4Å; T1957-E1960 PolarHBondContact OG1-OE1 3.41Å; E1960-R1962 PolarHBondContact O-N 3.03Å |
| 1961 | L | 84.1 | Confident | 84.4 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 7.5 | 171.1 | -69.5 | 172.5 | 0 | 0 | 0 | 113.4 | V1956 T1957 I1963 I2026 Y2027 L2073 | V1956-L1961 HydrophobicContact CG1-CD1 3.61Å; V1956-L1961 HydrophobicContact CG1-CD2 4.15Å; V1956-L1961 HydrophobicContact CG1-CG 3.56Å; T1957-L1961 PolarHBondContact O-N 3.16Å; L1961-I1963 HydrophobicContact CB-CD1 4.34Å; L1961-I1963 HydrophobicContact CB-CG1 4.1Å; L1961-I1963 PolarHBondContact O-N 3.3Å; L1961-I1963 VanDerWaalsContact O-N 3.12Å; L1961-I2026 HydrophobicContact CD1-CB 4.5Å; L1961-I2026 HydrophobicContact CD1-CG2 3.9Å; L1961-I2026 HydrophobicContact CD2-CG2 3.79Å; L1961-Y2027 HydrophobicContact CD1-CD2 4.07Å; L1961-Y2027 HydrophobicContact CD1-CG 4.39Å; L1961-L2073 HydrophobicContact CD2-CD1 4.18Å |
| 1962 | R | 84.4 | Confident | 83.9 | Confident | 111 Ų | 111 | 54.9 Ų | 54.9 | 42% | 0.419 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 29.4 | -177.2 | -61.6 | -171.7 | 174.2 | 124.8 | 0.7 | 114.3 | N1179 K1180 T1959 E1960 S1964 | N1179-R1962 VanDerWaalsContact C-NH1 3.32Å; N1179-R1962 PolarHBondContact O-NH1 3.14Å; N1179-R1962 PolarHBondContact OD1-NH1 3.45Å; N1179-R1962 PolarHBondContact OD1-NH2 2.92Å; K1180-R1962 PolarHBondContact O-NH1 3.06Å; T1959-R1962 PolarHBondContact O-N 3.44Å; T1959-R1962 VanDerWaalsContact O-N 3.1Å; E1960-R1962 PolarHBondContact O-N 3.03Å; R1962-S1964 PolarHBondContact O-N 2.94Å |
| 1963 | I | 87.3 | Confident | 83.9 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | trans | -63.4 | 125.8 | 173.1 | -58.7 | 174 | 0 | 0 | 0 | 107.5 | P1958 L1961 N1965 Y1967 H1968 L1971 P2023 V2024 Y2027 | P1958-I1963 HydrophobicContact CB-CD1 4.31Å; P1958-I1963 WeakPolarHBondContact O-CB 3.42Å; P1958-I1963 PolarHBondContact O-N 3.34Å; P1958-I1963 VanDerWaalsContact O-N 3.07Å; L1961-I1963 HydrophobicContact CB-CD1 4.34Å; L1961-I1963 HydrophobicContact CB-CG1 4.1Å; L1961-I1963 PolarHBondContact O-N 3.3Å; L1961-I1963 VanDerWaalsContact O-N 3.12Å; I1963-N1965 PolarHBondContact O-N 2.88Å; I1963-Y1967 HydrophobicContact CG2-CD2 4.44Å; I1963-H1968 PolarHBondContact O-NE2 2.98Å; I1963-L1971 HydrophobicContact CD1-CD1 3.9Å; I1963-L1971 HydrophobicContact CG2-CD1 4.36Å; I1963-P2023 HydrophobicContact CG1-CB 3.89Å; I1963-V2024 HydrophobicContact CD1-CG2 4.16Å; I1963-V2024 HydrophobicContact CG1-CG2 4.28Å; I1963-V2024 HydrophobicContact CG2-CG2 3.79Å; I1963-Y2027 HydrophobicContact CD1-CD2 4.43Å; I1963-Y2027 HydrophobicContact CD1-CG 4.05Å | ||
| 1964 | S | 83 | Confident | 83.9 | Confident | 64 Ų | 64 | 60.2 Ų | 60.2 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | trans | -55.5 | 133.7 | 178.6 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | R1962 A1966 Y1967 H1968 | R1962-S1964 PolarHBondContact O-N 2.94Å; S1964-A1966 PolarHBondContact O-N 3.31Å; S1964-Y1967 PolarHBondContact O-N 2.98Å; S1964-H1968 PolarHBondContact O-CD2 2.72Å | ||
| 1965 | N | 83.3 | Confident | 84.1 | Confident | 114 Ų | 114 | 57 Ų | 57 | 61% | 0.61 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -54.8 | -25 | -177.7 | -65.2 | -5.1 | 0 | 0 | 0 | 113.1 | I1963 Y1967 H1968 | I1963-N1965 PolarHBondContact O-N 2.88Å; N1965-Y1967 PolarHBondContact O-N 3.13Å; N1965-H1968 PolarHBondContact O-N 3.44Å; N1965-H1968 PolarHBondContact OD1-CE1 3.09Å |
| 1966 | A | 82.3 | Confident | 84.5 | Confident | 40 Ų | 40 | 55 Ų | 55 | 33% | 0.331 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58 | -32.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1964 | S1964-A1966 PolarHBondContact O-N 3.31Å |
| 1967 | Y | 85.3 | Confident | 84.9 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -90.9 | -10.2 | -178.8 | -53.6 | -55.4 | 0 | 0 | 0 | 113.6 | I1963 S1964 N1965 I1969 V1970 L1971 L2007 A2010 N2011 D2020 | I1963-Y1967 HydrophobicContact CG2-CD2 4.44Å; S1964-Y1967 PolarHBondContact O-N 2.98Å; N1965-Y1967 PolarHBondContact O-N 3.13Å; Y1967-I1969 PolarHBondContact O-N 3.18Å; Y1967-V1970 WeakPolarHBondContact O-CB 3.39Å; Y1967-V1970 PolarHBondContact O-N 3.26Å; Y1967-L1971 PolarHBondContact O-N 2.98Å; Y1967-L2007 HydrophobicContact CD1-CB 4.19Å; Y1967-L2007 HydrophobicContact CD1-CD2 3.44Å; Y1967-L2007 VanDerWaalsContact CD1-CD2 3.44Å; Y1967-L2007 HydrophobicContact CD1-CG 4.4Å; Y1967-L2007 HydrophobicContact CD2-CD2 4.16Å; Y1967-L2007 HydrophobicContact CE1-CB 3.99Å; Y1967-L2007 HydrophobicContact CE1-CD2 3.97Å; Y1967-L2007 HydrophobicContact CG-CD2 3.56Å; Y1967-A2010 HydrophobicContact CD1-CB 3.94Å; Y1967-N2011 HydrophobicContact CE1-CB 3.87Å; Y1967-D2020 HydrophobicContact CE2-CB 4.11Å; Y1967-D2020 WeakPolarHBondContact CE2-OD1 3.4Å; Y1967-D2020 PolarHBondContact OH-OD1 2.98Å |
| 1968 | H | 85.8 | Confident | 85.3 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 27% | 0.269 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.9 | -28.6 | 179.7 | -67.6 | -171.5 | 0 | 0 | 0 | 112.5 | I1963 S1964 N1965 V1970 L1971 | I1963-H1968 PolarHBondContact O-NE2 2.98Å; S1964-H1968 PolarHBondContact O-CD2 2.72Å; N1965-H1968 PolarHBondContact O-N 3.44Å; N1965-H1968 PolarHBondContact OD1-CE1 3.09Å; H1968-V1970 PolarHBondContact O-N 3.42Å; H1968-V1970 VanDerWaalsContact O-N 3.12Å; H1968-L1971 PolarHBondContact O-N 3.32Å |
| 1969 | I | 83.9 | Confident | 85.6 | Confident | 151 Ų | 151 | 56.7 Ų | 56.7 | 77% | 0.774 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -26 | 174 | -68.9 | 171 | 0 | 0 | 0 | 112.5 | Y1967 | Y1967-I1969 PolarHBondContact O-N 3.18Š|
| 1970 | V | 82 | Confident | 86.2 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -24.3 | -172.3 | 166.9 | 0 | 0 | 0 | 0 | 112.5 | Y1967 H1968 L1973 A2006 A2010 | Y1967-V1970 WeakPolarHBondContact O-CB 3.39Å; Y1967-V1970 PolarHBondContact O-N 3.26Å; H1968-V1970 PolarHBondContact O-N 3.42Å; H1968-V1970 VanDerWaalsContact O-N 3.12Å; V1970-L1973 HydrophobicContact CG1-CD1 3.83Å; V1970-L1973 HydrophobicContact CG1-CD2 3.56Å; V1970-L1973 HydrophobicContact CG1-CG 3.65Å; V1970-L1973 WeakPolarHBondContact O-CG 3.08Å; V1970-L1973 PolarHBondContact O-N 3.27Å; V1970-A2006 HydrophobicContact CG1-CB 3.61Å; V1970-A2010 HydrophobicContact CG2-CB 3.68Å |
| 1971 | L | 83.5 | Confident | 86.9 | Confident | 26 Ų | 26 | 53.4 Ų | 53.4 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 149.8 | 175.7 | -64.9 | -179.3 | 0 | 0 | 0 | 111.4 | P1958 I1963 Y1967 H1968 V2024 Y2027 L2028 | P1958-L1971 HydrophobicContact CB-CD1 3.77Å; P1958-L1971 HydrophobicContact CG-CD1 3.87Å; I1963-L1971 HydrophobicContact CD1-CD1 3.9Å; I1963-L1971 HydrophobicContact CG2-CD1 4.36Å; Y1967-L1971 PolarHBondContact O-N 2.98Å; H1968-L1971 PolarHBondContact O-N 3.32Å; L1971-V2024 HydrophobicContact CD2-CG1 4.22Å; L1971-Y2027 HydrophobicContact CB-CE1 4.21Å; L1971-Y2027 HydrophobicContact CD1-CD1 4Å; L1971-Y2027 HydrophobicContact CD1-CE1 3.96Å; L1971-Y2027 HydrophobicContact CD2-CD1 3.76Å; L1971-Y2027 HydrophobicContact CD2-CE1 3.98Å; L1971-Y2027 HydrophobicContact CG-CD1 4.39Å; L1971-Y2027 HydrophobicContact CG-CE1 4.28Å; L1971-L2028 HydrophobicContact CD2-CD2 4.41Å |
| 1972 | P | 78.3 | Confident | 87.3 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 33% | 0.325 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -94.1 | 22.3 | 6.9 | 38.4 | -37.5 | 0 | 0 | 0 | 114.7 | K1974 Q1977 Y2027 L2028 | P1972-K1974 HydrophobicContact CG-CG 4.25Å; P1972-K1974 PolarHBondContact O-N 3.44Å; P1972-Q1977 PolarHBondContact O-NE2 3.11Å; P1972-Q1977 PolarHBondContact O-OE1 3.32Å; P1972-Y2027 HydrophobicContact CB-CE1 4.14Å; P1972-L2028 WeakPolarHBondContact O-CD2 3.19Å |
| 1973 | L | 86.4 | Confident | 87.7 | Confident | 30 Ų | 30 | 51.4 Ų | 51.4 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | trans | 43.9 | 56.3 | 178.4 | -77.1 | 176.8 | 0 | 0 | 0 | 115.3 | V1970 S1975 V1976 Q1977 V2003 A2006 L2028 | V1970-L1973 HydrophobicContact CG1-CD1 3.83Å; V1970-L1973 HydrophobicContact CG1-CD2 3.56Å; V1970-L1973 HydrophobicContact CG1-CG 3.65Å; V1970-L1973 WeakPolarHBondContact O-CG 3.08Å; V1970-L1973 PolarHBondContact O-N 3.27Å; L1973-S1975 PolarHBondContact O-N 3.14Å; L1973-V1976 HydrophobicContact CB-CB 4.14Å; L1973-V1976 HydrophobicContact CB-CG2 3.96Å; L1973-V1976 HydrophobicContact CD1-CG2 4.19Å; L1973-V1976 HydrophobicContact CG-CG2 4.46Å; L1973-V1976 WeakPolarHBondContact O-CA 3.1Å; L1973-V1976 WeakPolarHBondContact O-CB 3.49Å; L1973-V1976 PolarHBondContact O-N 3.21Å; L1973-Q1977 PolarHBondContact O-N 3.15Å; L1973-V2003 HydrophobicContact CD1-CG2 4.29Å; L1973-A2006 HydrophobicContact CD1-CB 3.88Å; L1973-A2006 HydrophobicContact CD2-CB 3.75Å; L1973-A2006 HydrophobicContact CG-CB 4.43Å; L1973-L2028 HydrophobicContact CB-CD1 4.3Å; L1973-L2028 HydrophobicContact CB-CD2 3.84Å; L1973-L2028 HydrophobicContact CD1-CD1 4.02Å | ||
| 1974 | K | 89.3 | Confident | 87.8 | Confident | 147 Ų | 147 | 52.2 Ų | 52.2 | 64% | 0.639 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -50.7 | -31.3 | -178.4 | -63.5 | -163.6 | 174 | -165.3 | 0 | 114.9 | P1972 V1976 Q1977 N1978 | P1972-K1974 HydrophobicContact CG-CG 4.25Å; P1972-K1974 PolarHBondContact O-N 3.44Å; K1974-V1976 VanDerWaalsContact C-N 3.3Å; K1974-V1976 PolarHBondContact O-N 3.24Å; K1974-Q1977 PolarHBondContact O-N 2.93Å; K1974-N1978 WeakPolarHBondContact O-CB 3.49Å; K1974-N1978 PolarHBondContact O-N 3.3Å; K1974-N1978 PolarHBondContact O-OD1 3.31Å |
| 1975 | S | 88.1 | Confident | 88.1 | Confident | 79 Ų | 79 | 53 Ų | 53 | 55% | 0.552 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.4 | -30.9 | 175 | -164.4 | 0 | 0 | 0 | 0 | 113.5 | L1973 E1979 | L1973-S1975 PolarHBondContact O-N 3.14Å; S1975-E1979 PolarHBondContact O-N 3.06Å |
| 1976 | V | 91.5 | Very high | 88.4 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -80.7 | -36.8 | 176.4 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | L1973 K1974 N1978 E1979 L1980 V1999 H2002 V2003 L2028 | L1973-V1976 HydrophobicContact CB-CB 4.14Å; L1973-V1976 HydrophobicContact CB-CG2 3.96Å; L1973-V1976 HydrophobicContact CD1-CG2 4.19Å; L1973-V1976 HydrophobicContact CG-CG2 4.46Å; L1973-V1976 WeakPolarHBondContact O-CA 3.1Å; L1973-V1976 WeakPolarHBondContact O-CB 3.49Å; L1973-V1976 PolarHBondContact O-N 3.21Å; K1974-V1976 VanDerWaalsContact C-N 3.3Å; K1974-V1976 PolarHBondContact O-N 3.24Å; V1976-N1978 VanDerWaalsContact C-N 3.35Å; V1976-E1979 PolarHBondContact O-N 3.4Å; V1976-L1980 HydrophobicContact CG1-CD1 4.49Å; V1976-L1980 PolarHBondContact O-N 3.03Å; V1976-V1999 HydrophobicContact CG1-CB 4.34Å; V1976-V1999 HydrophobicContact CG1-CG1 3.7Å; V1976-H2002 HydrophobicContact CG2-CB 3.66Å; V1976-V2003 HydrophobicContact CG1-CG2 3.82Å; V1976-V2003 HydrophobicContact CG2-CG2 4.14Å; V1976-L2028 HydrophobicContact CB-CD1 4.37Å; V1976-L2028 HydrophobicContact CG1-CD1 4.05Å |
| 1977 | Q | 93.4 | Very high | 88.8 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 172.6 | -60.5 | 178.2 | -41 | 0 | 0 | 111 | P1972 L1973 K1974 E1979 L1980 L1981 L2028 A2032 | P1972-Q1977 PolarHBondContact O-NE2 3.11Å; P1972-Q1977 PolarHBondContact O-OE1 3.32Å; L1973-Q1977 PolarHBondContact O-N 3.15Å; K1974-Q1977 PolarHBondContact O-N 2.93Å; Q1977-E1979 VanDerWaalsContact C-N 3.33Å; Q1977-E1979 PolarHBondContact O-N 3.31Å; Q1977-L1980 PolarHBondContact O-N 3.03Å; Q1977-L1981 WeakPolarHBondContact O-CG 3.43Å; Q1977-L1981 PolarHBondContact O-N 2.96Å; Q1977-L2028 HydrophobicContact CG-CD2 4.15Å; Q1977-A2032 HydrophobicContact CB-CB 4Å; Q1977-A2032 HydrophobicContact CG-CB 4.22Å |
| 1978 | N | 92.1 | Very high | 89 | Confident | 78 Ų | 78 | 51.4 Ų | 51.4 | 42% | 0.417 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 174 | -69.7 | 4.2 | 0 | 0 | 0 | 112.4 | K1974 V1976 L1981 L1982 | K1974-N1978 WeakPolarHBondContact O-CB 3.49Å; K1974-N1978 PolarHBondContact O-N 3.3Å; K1974-N1978 PolarHBondContact O-OD1 3.31Å; V1976-N1978 VanDerWaalsContact C-N 3.35Å; N1978-L1981 PolarHBondContact O-N 3.4Å; N1978-L1982 PolarHBondContact O-N 3.35Å |
| 1979 | E | 91.3 | Very high | 89.2 | Confident | 27 Ų | 27 | 49.7 Ų | 49.7 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 176.2 | -170.5 | 71.8 | -143.5 | 0 | 0 | 111.5 | S1975 V1976 Q1977 L1981 L1982 C1995 R1998 V1999 | S1975-E1979 PolarHBondContact O-N 3.06Å; V1976-E1979 PolarHBondContact O-N 3.4Å; Q1977-E1979 VanDerWaalsContact C-N 3.33Å; Q1977-E1979 PolarHBondContact O-N 3.31Å; E1979-L1981 VanDerWaalsContact C-N 3.3Å; E1979-L1981 PolarHBondContact O-N 2.97Å; E1979-L1982 WeakPolarHBondContact O-CB 3.44Å; E1979-L1982 PolarHBondContact O-N 3.3Å; E1979-L1982 VanDerWaalsContact O-N 3.08Å; E1979-C1995 PolarHBondContact O-SG 3.18Å; E1979-R1998 HydrophobicContact CG-CB 4.23Å; E1979-R1998 IonicContact OE1-CZ 2.78Å; E1979-R1998 IonicContact OE1-NE 2.72Å; E1979-R1998 PolarHBondContact OE1-NE 3.43Å; E1979-R1998 IonicContact OE1-NH2 3.3Å; E1979-R1998 PolarHBondContact OE1-NH2 3.42Å; E1979-R1998 IonicContact OE2-NE 3.45Å; E1979-V1999 HydrophobicContact CB-CG2 3.97Å; E1979-V1999 HydrophobicContact CG-CG2 3.59Å |
| 1980 | L | 94.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.4 | -36.8 | 173.8 | -81.4 | 167 | 0 | 0 | 0 | 112.6 | V1976 Q1977 L1982 L1983 L1996 V1999 L2028 I2029 A2032 F2063 | V1976-L1980 HydrophobicContact CG1-CD1 4.49Å; V1976-L1980 PolarHBondContact O-N 3.03Å; Q1977-L1980 PolarHBondContact O-N 3.03Å; L1980-L1982 PolarHBondContact O-N 3.4Å; L1980-L1983 WeakPolarHBondContact O-CB 3.38Å; L1980-L1983 PolarHBondContact O-N 3.25Å; L1980-L1996 HydrophobicContact CD2-CD2 4.31Å; L1980-V1999 HydrophobicContact CD1-CG1 4.39Å; L1980-V1999 HydrophobicContact CD2-CG1 3.93Å; L1980-V1999 HydrophobicContact CD2-CG2 3.96Å; L1980-V1999 HydrophobicContact CG-CG1 3.97Å; L1980-V1999 HydrophobicContact CG-CG2 3.86Å; L1980-L2028 HydrophobicContact CD1-CB 4.3Å; L1980-I2029 HydrophobicContact CD1-CG1 4.29Å; L1980-A2032 HydrophobicContact CB-CB 4.05Å; L1980-A2032 HydrophobicContact CD1-CB 3.99Å; L1980-F2063 HydrophobicContact CD2-CE2 3.88Å |
| 1981 | L | 94.8 | Very high | 89.7 | Confident | 73 Ų | 73 | 44.3 Ų | 44.3 | 38% | 0.382 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.2 | -25.1 | 175.3 | -71.7 | 166.9 | 0 | 0 | 0 | 112.9 | Q1977 N1978 E1979 L1983 | Q1977-L1981 WeakPolarHBondContact O-CG 3.43Å; Q1977-L1981 PolarHBondContact O-N 2.96Å; N1978-L1981 PolarHBondContact O-N 3.4Å; E1979-L1981 VanDerWaalsContact C-N 3.3Å; E1979-L1981 PolarHBondContact O-N 2.97Å; L1981-L1983 VanDerWaalsContact C-N 3.3Å; L1981-L1983 PolarHBondContact O-N 2.81Å |
| 1982 | L | 93.2 | Very high | 90.1 | Very high | 72 Ų | 72 | 43 Ų | 43 | 38% | 0.377 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -76.7 | -11.1 | 175.9 | -63.7 | 174.6 | 0 | 0 | 0 | 113.9 | N1978 E1979 L1980 D1984 C1985 Y1986 | N1978-L1982 PolarHBondContact O-N 3.35Å; E1979-L1982 WeakPolarHBondContact O-CB 3.44Å; E1979-L1982 PolarHBondContact O-N 3.3Å; E1979-L1982 VanDerWaalsContact O-N 3.08Å; L1980-L1982 PolarHBondContact O-N 3.4Å; L1982-D1984 PolarHBondContact O-N 3.4Å; L1982-D1984 VanDerWaalsContact O-N 3.12Å; L1982-C1985 WeakPolarHBondContact O-CB 3.26Å; L1982-C1985 PolarHBondContact O-N 2.92Å; L1982-Y1986 HydrophobicContact CB-CE2 4.02Å; L1982-Y1986 WeakPolarHBondContact O-CD2 3.46Å |
| 1983 | L | 92.5 | Very high | 90.7 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -53.6 | -34.8 | 179 | -178.1 | 64.8 | 0 | 0 | 0 | 112.5 | L1980 L1981 K1992 L1996 L2037 N2040 F2063 | L1980-L1983 WeakPolarHBondContact O-CB 3.38Å; L1980-L1983 PolarHBondContact O-N 3.25Å; L1981-L1983 VanDerWaalsContact C-N 3.3Å; L1981-L1983 PolarHBondContact O-N 2.81Å; L1983-K1992 HydrophobicContact CD1-CB 3.8Å; L1983-K1992 HydrophobicContact CD1-CG 4.08Å; L1983-K1992 PolarHBondContact O-NZ 2.96Å; L1983-L1996 HydrophobicContact CD1-CD1 4.4Å; L1983-L1996 HydrophobicContact CD1-CD2 4.12Å; L1983-L1996 HydrophobicContact CD1-CG 4.02Å; L1983-L1996 HydrophobicContact CD2-CD2 4.33Å; L1983-L2037 HydrophobicContact CD2-CD1 4.43Å; L1983-N2040 HydrophobicContact CD2-CB 4.47Å; L1983-F2063 HydrophobicContact CD2-CE1 4.41Å; L1983-F2063 HydrophobicContact CD2-CZ 4.05Å |
| 1984 | D | 89.2 | Confident | 90.9 | Very high | 23 Ų | 23 | 44.9 Ų | 44.9 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -76 | -25.9 | -179 | -164.6 | 57.3 | 0 | 0 | 0 | 113.5 | Y1926 L1982 Y1986 P2035 R2036 N2040 | Y1926-D1984 PolarHBondContact OH-O 2.93Å; L1982-D1984 PolarHBondContact O-N 3.4Å; L1982-D1984 VanDerWaalsContact O-N 3.12Å; D1984-Y1986 VanDerWaalsContact C-N 3.32Å; D1984-Y1986 PolarHBondContact O-N 3.41Å; D1984-P2035 HydrophobicContact CB-CG 3.87Å; D1984-R2036 VanDerWaalsContact CG-CZ 3.43Å; D1984-R2036 VanDerWaalsContact CG-NH1 3.34Å; D1984-R2036 IonicContact OD1-CZ 2.75Å; D1984-R2036 IonicContact OD1-NE 3.11Å; D1984-R2036 IonicContact OD1-NH1 3.82Å; D1984-R2036 PolarHBondContact OD1-NH1 2.9Å; D1984-R2036 IonicContact OD1-NH2 3.32Å; D1984-R2036 PolarHBondContact OD1-NH2 2.96Å; D1984-R2036 IonicContact OD2-CZ 3.97Å; D1984-R2036 IonicContact OD2-NH1 2.67Å; D1984-R2036 PolarHBondContact OD2-NH1 3.09Å; D1984-R2036 IonicContact OD2-NH2 2.8Å; D1984-R2036 PolarHBondContact OD2-NH2 3.25Å; D1984-N2040 PolarHBondContact OD1-ND2 3.4Å |
| 1985 | C | 89.1 | Confident | 91.1 | Very high | 80 Ų | 80 | 37.9 Ų | 37.9 | 54% | 0.541 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -79.9 | -8.5 | -178.7 | -55.3 | 0 | 0 | 0 | 0 | 114 | L1982 | L1982-C1985 WeakPolarHBondContact O-CB 3.26Å; L1982-C1985 PolarHBondContact O-N 2.92Å |
| 1986 | Y | 90.1 | Very high | 91.4 | Very high | 65 Ų | 65 | 34.1 Ų | 34.1 | 26% | 0.255 | 18% | 0.178 | S | C | . | . | trans | -99.1 | 122.5 | 177.1 | -66.2 | -62.2 | 0 | 0 | 0 | 110.6 | L1982 D1984 D1991 K1992 C1995 R1998 | L1982-Y1986 HydrophobicContact CB-CE2 4.02Å; L1982-Y1986 WeakPolarHBondContact O-CD2 3.46Å; D1984-Y1986 VanDerWaalsContact C-N 3.32Å; D1984-Y1986 PolarHBondContact O-N 3.41Å; Y1986-D1991 HydrophobicContact CD1-CB 3.83Å; Y1986-D1991 HydrophobicContact CG-CB 4.03Å; Y1986-K1992 WeakPolarHBondContact O-CE 3.37Å; Y1986-K1992 WeakPolarHBondContact O-CG 3.19Å; Y1986-K1992 PolarHBondContact O-NZ 2.77Å; Y1986-C1995 HydrophobicContact CD2-CB 3.78Å; Y1986-C1995 HydrophobicContact CE2-CB 3.67Å; Y1986-R1998 PolarHBondContact OH-NH2 3.26Å | ||
| 1987 | H | 91.6 | Very high | 91.5 | Very high | 51 Ų | 51 | 35.1 Ų | 35.1 | 24% | 0.236 | 18% | 0.182 | C | C | . | . | trans | -95.9 | -6.2 | -176.2 | -56.8 | 148.4 | 0 | 0 | 0 | 114.6 | M1922 D1923 Y1926 F2043 | M1922-H1987 WeakPolarHBondContact CE-O 3.44Å; D1923-H1987 WeakPolarHBondContact OD1-CB 3.46Å; D1923-H1987 IonicContact OD1-CE1 3.24Å; D1923-H1987 IonicContact OD1-CG 2.99Å; D1923-H1987 IonicContact OD1-ND1 3.06Å; D1923-H1987 PolarHBondContact OD1-ND1 2.98Å; Y1926-H1987 HydrophobicContact CD1-CB 4.33Å; Y1926-H1987 AromaticContact CD1-CD2 3.18Å; Y1926-H1987 WeakPolarHBondContact CD1-CD2 3.23Å; Y1926-H1987 AromaticContact CD1-CG 3.71Å; Y1926-H1987 AromaticContact CD1-NE2 3.59Å; Y1926-H1987 HydrophobicContact CD2-CB 3.81Å; Y1926-H1987 AromaticContact CD2-CD2 3.98Å; Y1926-H1987 AromaticContact CE1-CD2 3.12Å; Y1926-H1987 WeakPolarHBondContact CE1-CD2 3.34Å; Y1926-H1987 AromaticContact CE1-NE2 3.56Å; Y1926-H1987 HydrophobicContact CE2-CB 4.29Å; Y1926-H1987 AromaticContact CE2-CD2 3.95Å; Y1926-H1987 HydrophobicContact CG-CB 3.8Å; Y1926-H1987 AromaticContact CG-CD2 3.6Å; Y1926-H1987 AromaticContact CG-CG 3.69Å; Y1926-H1987 AromaticContact CZ-CD2 3.49Å; Y1926-H1987 VanDerWaalsContact CZ-CD2 3.49Å; H1987-F2043 VanDerWaalsContact O-CZ 3.23Å; H1987-F2043 WeakPolarHBondContact O-CZ 3.48Å | ||
| 1988 | T | 89.1 | Confident | 91.5 | Very high | 13 Ų | 13 | 38 Ų | 38 | 8% | 0.08 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -98.7 | 145.8 | 171.7 | 81.6 | 0 | 0 | 0 | 0 | 111.2 | R1919 M1922 S1990 D1991 K1992 | R1919-T1988 HydrophobicContact CB-CG2 4.27Å; R1919-T1988 HydrophobicContact CG-CG2 3.65Å; M1922-T1988 HydrophobicContact CB-CG2 4.07Å; M1922-T1988 HydrophobicContact CG-CG2 4.11Å; T1988-S1990 VanDerWaalsContact C-N 3.29Å; T1988-S1990 PolarHBondContact O-N 3.25Å; T1988-D1991 PolarHBondContact O-N 3.48Å; T1988-D1991 VanDerWaalsContact OG1-CB 3.28Å; T1988-D1991 WeakPolarHBondContact OG1-CB 3.48Å; T1988-D1991 VanDerWaalsContact OG1-CG 3.3Å; T1988-D1991 PolarHBondContact OG1-N 2.98Å; T1988-D1991 PolarHBondContact OG1-OD2 3.45Å; T1988-K1992 WeakPolarHBondContact O-CG 3.47Å; T1988-K1992 PolarHBondContact O-N 2.97Å |
| 1989 | S | 89.3 | Confident | 91.6 | Very high | 22 Ų | 22 | 34.2 Ų | 34.2 | 15% | 0.154 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.3 | -41.4 | 172.3 | 52.5 | 0 | 0 | 0 | 0 | 111.7 | D1991 K1992 L1993 F2047 | S1989-D1991 PolarHBondContact O-N 3.5Å; S1989-K1992 PolarHBondContact O-N 2.96Å; S1989-L1993 WeakPolarHBondContact O-CB 3.13Å; S1989-L1993 WeakPolarHBondContact O-CD1 3.25Å; S1989-L1993 VanDerWaalsContact O-CG 3.3Å; S1989-L1993 WeakPolarHBondContact O-CG 3.3Å; S1989-L1993 PolarHBondContact O-N 3.11Å; S1989-F2047 WeakPolarHBondContact CB-O 3.41Å; S1989-F2047 PolarHBondContact OG-O 3.35Å |
| 1990 | S | 87.3 | Confident | 91.7 | Very high | 57 Ų | 57 | 33.1 Ų | 33.1 | 40% | 0.399 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -55.5 | -45.5 | 175 | -177.9 | 0 | 0 | 0 | 0 | 112.7 | T1988 R1994 | T1988-S1990 VanDerWaalsContact C-N 3.29Å; T1988-S1990 PolarHBondContact O-N 3.25Å; S1990-R1994 VanDerWaalsContact O-CB 3.28Å; S1990-R1994 WeakPolarHBondContact O-CB 3.14Å; S1990-R1994 PolarHBondContact O-N 3.24Å; S1990-R1994 PolarHBondContact O-NH1 3.5Å; S1990-R1994 PolarHBondContact OG-NH1 3.45Å |
| 1991 | D | 89.5 | Confident | 91.6 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 6% | 0.059 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -80.5 | -31 | -177.7 | -67.5 | -53.8 | 0 | 0 | 0 | 113.2 | R1919 Y1986 T1988 S1989 R1994 C1995 | R1919-D1991 IonicContact CZ-OD1 3.11Å; R1919-D1991 IonicContact CZ-OD2 2.84Å; R1919-D1991 IonicContact NE-OD1 3.74Å; R1919-D1991 IonicContact NE-OD2 3.7Å; R1919-D1991 PolarHBondContact NE-OD2 2.99Å; R1919-D1991 IonicContact NH2-OD1 3.84Å; R1919-D1991 PolarHBondContact NH2-OD1 3.04Å; R1919-D1991 IonicContact NH2-OD2 3.42Å; R1919-D1991 PolarHBondContact NH2-OD2 2.67Å; Y1986-D1991 HydrophobicContact CD1-CB 3.83Å; Y1986-D1991 HydrophobicContact CG-CB 4.03Å; T1988-D1991 PolarHBondContact O-N 3.48Å; T1988-D1991 VanDerWaalsContact OG1-CB 3.28Å; T1988-D1991 WeakPolarHBondContact OG1-CB 3.48Å; T1988-D1991 VanDerWaalsContact OG1-CG 3.3Å; T1988-D1991 PolarHBondContact OG1-N 2.98Å; T1988-D1991 PolarHBondContact OG1-OD2 3.45Å; S1989-D1991 PolarHBondContact O-N 3.5Å; D1991-R1994 PolarHBondContact O-N 3.36Å; D1991-R1994 IonicContact OD1-CZ 3.94Å; D1991-R1994 IonicContact OD1-NH1 3.29Å; D1991-R1994 PolarHBondContact OD1-NH1 2.78Å; D1991-C1995 WeakPolarHBondContact O-CB 3.45Å; D1991-C1995 PolarHBondContact O-N 3.05Å |
| 1992 | K | 92 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.8 | -47.2 | 166.8 | -70.9 | -175 | -170.4 | -68.9 | 0 | 111.4 | Y1926 L1983 Y1986 T1988 S1989 R1994 C1995 L1996 N2040 F2043 I2044 | Y1926-K1992 PolarHBondContact OH-NZ 3.03Å; L1983-K1992 HydrophobicContact CD1-CB 3.8Å; L1983-K1992 HydrophobicContact CD1-CG 4.08Å; L1983-K1992 PolarHBondContact O-NZ 2.96Å; Y1986-K1992 WeakPolarHBondContact O-CE 3.37Å; Y1986-K1992 WeakPolarHBondContact O-CG 3.19Å; Y1986-K1992 PolarHBondContact O-NZ 2.77Å; T1988-K1992 WeakPolarHBondContact O-CG 3.47Å; T1988-K1992 PolarHBondContact O-N 2.97Å; S1989-K1992 PolarHBondContact O-N 2.96Å; K1992-R1994 PolarHBondContact O-N 3.42Å; K1992-C1995 WeakPolarHBondContact O-CB 3.09Å; K1992-C1995 PolarHBondContact O-N 3.39Å; K1992-L1996 PolarHBondContact O-N 3.03Å; K1992-N2040 WeakPolarHBondContact CE-OD1 3.35Å; K1992-N2040 PolarHBondContact NZ-OD1 3.39Å; K1992-F2043 HydrophobicContact CD-CD1 3.93Å; K1992-F2043 HydrophobicContact CD-CE1 4.31Å; K1992-I2044 HydrophobicContact CB-CD1 3.79Å; K1992-I2044 HydrophobicContact CB-CG1 3.97Å; K1992-I2044 HydrophobicContact CD-CD1 4Å; K1992-I2044 HydrophobicContact CD-CG1 3.79Å |
| 1993 | L | 91.8 | Very high | 91.5 | Very high | 9 Ų | 9 | 31.8 Ų | 31.8 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.3 | -39.2 | 175.2 | -71.3 | 165 | 0 | 0 | 0 | 112.1 | S1989 C1995 L1996 K1997 I2044 A2048 L2052 W2060 | S1989-L1993 WeakPolarHBondContact O-CB 3.13Å; S1989-L1993 WeakPolarHBondContact O-CD1 3.25Å; S1989-L1993 VanDerWaalsContact O-CG 3.3Å; S1989-L1993 WeakPolarHBondContact O-CG 3.3Å; S1989-L1993 PolarHBondContact O-N 3.11Å; L1993-C1995 VanDerWaalsContact C-N 3.31Å; L1993-C1995 PolarHBondContact O-N 3.18Å; L1993-L1996 PolarHBondContact O-N 2.67Å; L1993-K1997 WeakPolarHBondContact O-CB 3.41Å; L1993-K1997 PolarHBondContact O-N 2.85Å; L1993-I2044 HydrophobicContact CD1-CG2 4.38Å; L1993-I2044 HydrophobicContact CD2-CG2 3.92Å; L1993-I2044 HydrophobicContact CG-CG2 4.1Å; L1993-A2048 HydrophobicContact CD1-CB 4.01Å; L1993-L2052 HydrophobicContact CD1-CD2 3.61Å; L1993-L2052 HydrophobicContact CD2-CD2 3.84Å; L1993-L2052 HydrophobicContact CG-CD2 4.4Å; L1993-W2060 HydrophobicContact CD2-CB 4.19Å; L1993-W2060 HydrophobicContact CD2-CD2 4.14Å; L1993-W2060 HydrophobicContact CD2-CE3 3.88Å; L1993-W2060 HydrophobicContact CD2-CG 4.29Å |
| 1994 | R | 90.6 | Very high | 91.5 | Very high | 109 Ų | 109 | 33.6 Ų | 33.6 | 41% | 0.411 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.7 | -31.4 | 174.7 | -172 | 176.9 | -76.4 | 95.5 | 9.4 | 112.5 | S1990 D1991 K1992 R1998 | S1990-R1994 VanDerWaalsContact O-CB 3.28Å; S1990-R1994 WeakPolarHBondContact O-CB 3.14Å; S1990-R1994 PolarHBondContact O-N 3.24Å; S1990-R1994 PolarHBondContact O-NH1 3.5Å; S1990-R1994 PolarHBondContact OG-NH1 3.45Å; D1991-R1994 PolarHBondContact O-N 3.36Å; D1991-R1994 IonicContact OD1-CZ 3.94Å; D1991-R1994 IonicContact OD1-NH1 3.29Å; D1991-R1994 PolarHBondContact OD1-NH1 2.78Å; K1992-R1994 PolarHBondContact O-N 3.42Å; R1994-R1998 WeakPolarHBondContact O-CG 3.38Å; R1994-R1998 PolarHBondContact O-N 3.14Å |
| 1995 | C | 93.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.4 | -50.3 | 170.2 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | E1979 Y1986 D1991 K1992 L1993 K1997 R1998 V1999 | E1979-C1995 PolarHBondContact O-SG 3.18Å; Y1986-C1995 HydrophobicContact CD2-CB 3.78Å; Y1986-C1995 HydrophobicContact CE2-CB 3.67Å; D1991-C1995 WeakPolarHBondContact O-CB 3.45Å; D1991-C1995 PolarHBondContact O-N 3.05Å; K1992-C1995 WeakPolarHBondContact O-CB 3.09Å; K1992-C1995 PolarHBondContact O-N 3.39Å; L1993-C1995 VanDerWaalsContact C-N 3.31Å; L1993-C1995 PolarHBondContact O-N 3.18Å; C1995-K1997 PolarHBondContact O-N 3.36Å; C1995-R1998 WeakPolarHBondContact O-CA 3.4Å; C1995-R1998 WeakPolarHBondContact O-CB 3.43Å; C1995-R1998 PolarHBondContact O-N 3.4Å; C1995-V1999 PolarHBondContact O-N 3.3Å |
| 1996 | L | 94.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.1 | -32.8 | 175.6 | -64.8 | 177.7 | 0 | 0 | 0 | 112.8 | L1980 L1983 K1992 L1993 V1999 I2000 I2044 I2059 W2060 F2063 | L1980-L1996 HydrophobicContact CD2-CD2 4.31Å; L1983-L1996 HydrophobicContact CD1-CD1 4.4Å; L1983-L1996 HydrophobicContact CD1-CD2 4.12Å; L1983-L1996 HydrophobicContact CD1-CG 4.02Å; L1983-L1996 HydrophobicContact CD2-CD2 4.33Å; K1992-L1996 PolarHBondContact O-N 3.03Å; L1993-L1996 PolarHBondContact O-N 2.67Å; L1996-V1999 WeakPolarHBondContact O-CB 3.47Å; L1996-V1999 PolarHBondContact O-N 3.48Å; L1996-I2000 PolarHBondContact O-N 3.3Å; L1996-I2044 HydrophobicContact CD1-CD1 4.4Å; L1996-I2059 HydrophobicContact CB-CG2 3.88Å; L1996-W2060 HydrophobicContact CD1-CE3 3.77Å; L1996-W2060 HydrophobicContact CD1-CZ3 3.61Å; L1996-F2063 HydrophobicContact CD1-CB 4.39Å; L1996-F2063 HydrophobicContact CD1-CD1 3.78Å; L1996-F2063 HydrophobicContact CD1-CD2 4.44Å; L1996-F2063 HydrophobicContact CD1-CE1 4.1Å; L1996-F2063 HydrophobicContact CD1-CG 3.95Å; L1996-F2063 HydrophobicContact CD2-CD1 4.27Å; L1996-F2063 HydrophobicContact CD2-CD2 3.66Å; L1996-F2063 HydrophobicContact CD2-CE1 4.14Å; L1996-F2063 HydrophobicContact CD2-CE2 3.52Å; L1996-F2063 HydrophobicContact CD2-CG 4.03Å; L1996-F2063 HydrophobicContact CD2-CZ 3.77Å |
| 1997 | K | 93 | Very high | 91.8 | Very high | 23 Ų | 23 | 27.6 Ų | 27.6 | 10% | 0.1 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 170.4 | -178.8 | 163.5 | 177.7 | 157.9 | 0 | 112.9 | M1397 N1398 L1993 C1995 N2001 E2055 L2056 I2059 | M1397-K1997 PolarHBondContact SD-NZ 3.2Å; N1398-K1997 WeakPolarHBondContact OD1-CE 3.47Å; N1398-K1997 PolarHBondContact OD1-NZ 3.13Å; L1993-K1997 WeakPolarHBondContact O-CB 3.41Å; L1993-K1997 PolarHBondContact O-N 2.85Å; C1995-K1997 PolarHBondContact O-N 3.36Å; K1997-N2001 VanDerWaalsContact O-CB 3.24Å; K1997-N2001 WeakPolarHBondContact O-CB 3.07Å; K1997-N2001 PolarHBondContact O-N 3.49Å; K1997-N2001 PolarHBondContact O-ND2 2.83Å; K1997-N2001 VanDerWaalsContact O-ND2 3.15Å; K1997-E2055 VanDerWaalsContact CD-OE2 3.3Å; K1997-E2055 WeakPolarHBondContact CD-OE2 3.21Å; K1997-E2055 WeakPolarHBondContact CE-OE1 3.39Å; K1997-E2055 WeakPolarHBondContact CE-OE2 3.28Å; K1997-E2055 VanDerWaalsContact NZ-CD 3.31Å; K1997-E2055 IonicContact NZ-OE1 3.48Å; K1997-E2055 PolarHBondContact NZ-OE1 3.16Å; K1997-E2055 IonicContact NZ-OE2 2.79Å; K1997-E2055 PolarHBondContact NZ-OE2 2.96Å; K1997-L2056 HydrophobicContact CB-CD2 4.48Å; K1997-L2056 HydrophobicContact CD-CD2 3.93Å; K1997-I2059 HydrophobicContact CB-CD1 3.79Å; K1997-I2059 HydrophobicContact CD-CD1 4.08Å; K1997-I2059 HydrophobicContact CG-CD1 3.73Å |
| 1998 | R | 93.4 | Very high | 91.7 | Very high | 81 Ų | 81 | 26.5 Ų | 26.5 | 31% | 0.306 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -67.8 | -39.4 | 174.2 | -66.7 | -175.1 | -53.2 | -111.3 | 1 | 111.8 | E1979 Y1986 R1994 C1995 N2001 H2002 | E1979-R1998 HydrophobicContact CG-CB 4.23Å; E1979-R1998 IonicContact OE1-CZ 2.78Å; E1979-R1998 IonicContact OE1-NE 2.72Å; E1979-R1998 PolarHBondContact OE1-NE 3.43Å; E1979-R1998 IonicContact OE1-NH2 3.3Å; E1979-R1998 PolarHBondContact OE1-NH2 3.42Å; E1979-R1998 IonicContact OE2-NE 3.45Å; Y1986-R1998 PolarHBondContact OH-NH2 3.26Å; R1994-R1998 WeakPolarHBondContact O-CG 3.38Å; R1994-R1998 PolarHBondContact O-N 3.14Å; C1995-R1998 WeakPolarHBondContact O-CA 3.4Å; C1995-R1998 WeakPolarHBondContact O-CB 3.43Å; C1995-R1998 PolarHBondContact O-N 3.4Å; R1998-N2001 PolarHBondContact O-N 3.27Å; R1998-H2002 WeakPolarHBondContact O-CB 3.42Å; R1998-H2002 PolarHBondContact O-N 3.33Å; R1998-H2002 PolarHBondContact O-ND1 2.84Å |
| 1999 | V | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.1 | -59 | 171.9 | 167.5 | 0 | 0 | 0 | 0 | 110.7 | V1976 E1979 L1980 C1995 L1996 N2001 H2002 V2003 L2025 | V1976-V1999 HydrophobicContact CG1-CB 4.34Å; V1976-V1999 HydrophobicContact CG1-CG1 3.7Å; E1979-V1999 HydrophobicContact CB-CG2 3.97Å; E1979-V1999 HydrophobicContact CG-CG2 3.59Å; L1980-V1999 HydrophobicContact CD1-CG1 4.39Å; L1980-V1999 HydrophobicContact CD2-CG1 3.93Å; L1980-V1999 HydrophobicContact CD2-CG2 3.96Å; L1980-V1999 HydrophobicContact CG-CG1 3.97Å; L1980-V1999 HydrophobicContact CG-CG2 3.86Å; C1995-V1999 PolarHBondContact O-N 3.3Å; L1996-V1999 WeakPolarHBondContact O-CB 3.47Å; L1996-V1999 PolarHBondContact O-N 3.48Å; V1999-N2001 PolarHBondContact O-N 3.21Å; V1999-H2002 PolarHBondContact O-N 2.98Å; V1999-V2003 WeakPolarHBondContact O-CG2 3.33Å; V1999-V2003 PolarHBondContact O-N 3.19Å; V1999-V2003 VanDerWaalsContact O-N 3.08Å; V1999-L2025 HydrophobicContact CG1-CD1 4.21Å |
| 2000 | I | 93.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.5 | -38.9 | -177 | -70.1 | -172.6 | 0 | 0 | 0 | 111.5 | L1996 H2002 V2003 L2004 L2021 L2025 I2059 Q2062 | L1996-I2000 PolarHBondContact O-N 3.3Å; I2000-H2002 PolarHBondContact O-N 3.22Å; I2000-V2003 PolarHBondContact O-N 3.46Å; I2000-L2004 HydrophobicContact CG2-CD1 3.66Å; I2000-L2004 HydrophobicContact CG2-CG 4.06Å; I2000-L2004 WeakPolarHBondContact O-CB 3.44Å; I2000-L2004 WeakPolarHBondContact O-CG 3.38Å; I2000-L2004 PolarHBondContact O-N 3.14Å; I2000-L2021 HydrophobicContact CG2-CD1 4.36Å; I2000-L2021 HydrophobicContact CG2-CD2 3.97Å; I2000-L2025 HydrophobicContact CD1-CD2 4.25Å; I2000-I2059 HydrophobicContact CD1-CB 4.26Å; I2000-I2059 HydrophobicContact CD1-CG1 4.19Å; I2000-I2059 HydrophobicContact CD1-CG2 4.03Å; I2000-Q2062 HydrophobicContact CD1-CB 4.19Å |
| 2001 | N | 92.7 | Very high | 91.6 | Very high | 34 Ų | 34 | 28.9 Ų | 28.9 | 18% | 0.182 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.5 | -36.7 | 176.7 | -74.2 | -25.3 | 0 | 0 | 0 | 113 | T1399 K1997 R1998 V1999 A2005 | T1399-N2001 HydrophobicContact CG2-CB 4.15Å; T1399-N2001 WeakPolarHBondContact CG2-ND2 3.48Å; K1997-N2001 VanDerWaalsContact O-CB 3.24Å; K1997-N2001 WeakPolarHBondContact O-CB 3.07Å; K1997-N2001 PolarHBondContact O-N 3.49Å; K1997-N2001 PolarHBondContact O-ND2 2.83Å; K1997-N2001 VanDerWaalsContact O-ND2 3.15Å; R1998-N2001 PolarHBondContact O-N 3.27Å; V1999-N2001 PolarHBondContact O-N 3.21Å; N2001-A2005 VanDerWaalsContact O-CB 3.29Å; N2001-A2005 WeakPolarHBondContact O-CB 3.29Å; N2001-A2005 PolarHBondContact O-N 3.3Å |
| 2002 | H | 92.1 | Very high | 91.3 | Very high | 82 Ų | 82 | 32.7 Ų | 32.7 | 38% | 0.38 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.8 | -38.7 | 171.8 | -75.3 | 152.1 | 0 | 0 | 0 | 112.1 | V1976 R1998 V1999 I2000 A2006 | V1976-H2002 HydrophobicContact CG2-CB 3.66Å; R1998-H2002 WeakPolarHBondContact O-CB 3.42Å; R1998-H2002 PolarHBondContact O-N 3.33Å; R1998-H2002 PolarHBondContact O-ND1 2.84Å; V1999-H2002 PolarHBondContact O-N 2.98Å; I2000-H2002 PolarHBondContact O-N 3.22Å; H2002-A2006 WeakPolarHBondContact O-CB 3.41Å; H2002-A2006 PolarHBondContact O-N 2.99Å |
| 2003 | V | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.6 | -49.7 | 174.8 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | L1973 V1976 V1999 I2000 A2005 A2006 L2007 L2021 V2024 L2028 | L1973-V2003 HydrophobicContact CD1-CG2 4.29Å; V1976-V2003 HydrophobicContact CG1-CG2 3.82Å; V1976-V2003 HydrophobicContact CG2-CG2 4.14Å; V1999-V2003 WeakPolarHBondContact O-CG2 3.33Å; V1999-V2003 PolarHBondContact O-N 3.19Å; V1999-V2003 VanDerWaalsContact O-N 3.08Å; I2000-V2003 PolarHBondContact O-N 3.46Å; V2003-A2005 VanDerWaalsContact C-N 3.26Å; V2003-A2005 PolarHBondContact O-N 2.87Å; V2003-A2006 PolarHBondContact O-N 2.97Å; V2003-L2007 HydrophobicContact CG1-CD1 3.8Å; V2003-L2007 HydrophobicContact CG1-CG 4.03Å; V2003-L2007 WeakPolarHBondContact O-CG 3.37Å; V2003-L2007 PolarHBondContact O-N 2.95Å; V2003-L2021 HydrophobicContact CB-CD1 4.04Å; V2003-L2021 HydrophobicContact CG1-CD1 3.6Å; V2003-V2024 HydrophobicContact CG1-CB 4.47Å; V2003-V2024 HydrophobicContact CG1-CG1 3.71Å; V2003-L2028 HydrophobicContact CG2-CD1 3.64Å |
| 2004 | L | 92.1 | Very high | 90.2 | Very high | 40 Ų | 40 | 41 Ų | 41 | 21% | 0.209 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.7 | -25.8 | 179.4 | -70 | 175.6 | 0 | 0 | 0 | 113.6 | R1401 I2000 P2016 L2021 | R1401-L2004 PolarHBondContact NH2-O 3.23Å; I2000-L2004 HydrophobicContact CG2-CD1 3.66Å; I2000-L2004 HydrophobicContact CG2-CG 4.06Å; I2000-L2004 WeakPolarHBondContact O-CB 3.44Å; I2000-L2004 WeakPolarHBondContact O-CG 3.38Å; I2000-L2004 PolarHBondContact O-N 3.14Å; L2004-P2016 HydrophobicContact CD2-CB 4.27Å; L2004-P2016 HydrophobicContact CD2-CG 3.94Å; L2004-L2021 HydrophobicContact CD2-CB 4.38Å; L2004-L2021 HydrophobicContact CD2-CD1 4.14Å; L2004-L2021 HydrophobicContact CD2-CD2 4.23Å; L2004-L2021 HydrophobicContact CD2-CG 4.48Å; L2004-L2021 HydrophobicContact CG-CD1 4.29Å |
| 2005 | A | 91.1 | Very high | 89.8 | Confident | 31 Ų | 31 | 41.9 Ų | 41.9 | 26% | 0.256 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.9 | -57.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | N2001 V2003 L2007 Q2008 L2009 | N2001-A2005 VanDerWaalsContact O-CB 3.29Å; N2001-A2005 WeakPolarHBondContact O-CB 3.29Å; N2001-A2005 PolarHBondContact O-N 3.3Å; V2003-A2005 VanDerWaalsContact C-N 3.26Å; V2003-A2005 PolarHBondContact O-N 2.87Å; A2005-L2007 VanDerWaalsContact C-N 3.35Å; A2005-L2007 PolarHBondContact O-N 3.24Å; A2005-Q2008 CarbonylContact O-C 3.26Å; A2005-Q2008 WeakPolarHBondContact O-CA 3.31Å; A2005-Q2008 VanDerWaalsContact O-CB 3.3Å; A2005-Q2008 WeakPolarHBondContact O-CB 3.37Å; A2005-Q2008 PolarHBondContact O-N 2.65Å; A2005-L2009 WeakPolarHBondContact O-CD2 3.49Å; A2005-L2009 VanDerWaalsContact O-CG 3.23Å; A2005-L2009 WeakPolarHBondContact O-CG 3.29Å; A2005-L2009 PolarHBondContact O-N 3.2Å |
| 2006 | A | 91.3 | Very high | 89.3 | Confident | 9 Ų | 9 | 42.5 Ų | 42.5 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.4 | -36.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1970 L1973 H2002 V2003 L2009 A2010 | V1970-A2006 HydrophobicContact CG1-CB 3.61Å; L1973-A2006 HydrophobicContact CD1-CB 3.88Å; L1973-A2006 HydrophobicContact CD2-CB 3.75Å; L1973-A2006 HydrophobicContact CG-CB 4.43Å; H2002-A2006 WeakPolarHBondContact O-CB 3.41Å; H2002-A2006 PolarHBondContact O-N 2.99Å; V2003-A2006 PolarHBondContact O-N 2.97Å; A2006-L2009 WeakPolarHBondContact O-CB 3.35Å; A2006-L2009 PolarHBondContact O-N 3.05Å; A2006-A2010 PolarHBondContact O-N 2.84Å |
| 2007 | L | 91.4 | Very high | 89 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 174.5 | -63.1 | 176.3 | 0 | 0 | 0 | 111.8 | Y1967 V2003 A2005 L2009 A2010 N2011 P2016 D2020 V2024 | Y1967-L2007 HydrophobicContact CD1-CB 4.19Å; Y1967-L2007 HydrophobicContact CD1-CD2 3.44Å; Y1967-L2007 VanDerWaalsContact CD1-CD2 3.44Å; Y1967-L2007 HydrophobicContact CD1-CG 4.4Å; Y1967-L2007 HydrophobicContact CD2-CD2 4.16Å; Y1967-L2007 HydrophobicContact CE1-CB 3.99Å; Y1967-L2007 HydrophobicContact CE1-CD2 3.97Å; Y1967-L2007 HydrophobicContact CG-CD2 3.56Å; V2003-L2007 HydrophobicContact CG1-CD1 3.8Å; V2003-L2007 HydrophobicContact CG1-CG 4.03Å; V2003-L2007 WeakPolarHBondContact O-CG 3.37Å; V2003-L2007 PolarHBondContact O-N 2.95Å; A2005-L2007 VanDerWaalsContact C-N 3.35Å; A2005-L2007 PolarHBondContact O-N 3.24Å; L2007-L2009 VanDerWaalsContact C-N 3.25Å; L2007-L2009 PolarHBondContact O-N 3.22Å; L2007-A2010 PolarHBondContact O-N 2.88Å; L2007-N2011 PolarHBondContact O-N 3.26Å; L2007-P2016 HydrophobicContact CB-CB 3.8Å; L2007-P2016 HydrophobicContact CB-CG 4.09Å; L2007-P2016 HydrophobicContact CD1-CB 4.02Å; L2007-D2020 HydrophobicContact CD1-CB 4.32Å; L2007-V2024 HydrophobicContact CD2-CG1 4.43Å; L2007-V2024 HydrophobicContact CD2-CG2 4.05Å |
| 2008 | Q | 90 | Very high | 88.7 | Confident | 28 Ų | 28 | 46.4 Ų | 46.4 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.9 | -30.4 | 171.1 | -163.4 | 76.7 | 64.9 | 0 | 0 | 112.1 | A2005 A2010 N2011 P2012 S2014 | A2005-Q2008 CarbonylContact O-C 3.26Å; A2005-Q2008 WeakPolarHBondContact O-CA 3.31Å; A2005-Q2008 VanDerWaalsContact O-CB 3.3Å; A2005-Q2008 WeakPolarHBondContact O-CB 3.37Å; A2005-Q2008 PolarHBondContact O-N 2.65Å; Q2008-A2010 VanDerWaalsContact C-N 3.31Å; Q2008-N2011 PolarHBondContact NE2-O 2.98Å; Q2008-N2011 CarbonylContact O-C 3.44Å; Q2008-P2012 WeakPolarHBondContact O-CA 3.37Å; Q2008-S2014 PolarHBondContact NE2-O 3.48Å |
| 2009 | L | 89.2 | Confident | 88.4 | Confident | 73 Ų | 73 | 48.2 Ų | 48.2 | 38% | 0.382 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.8 | -32.1 | 177.1 | -53.7 | -159.1 | 0 | 0 | 0 | 111.9 | H1403 A2005 A2006 L2007 | H1403-L2009 HydrophobicContact CB-CD2 3.82Å; H1403-L2009 WeakPolarHBondContact NE2-CA 3.46Å; H1403-L2009 WeakPolarHBondContact NE2-CB 3.22Å; H1403-L2009 PolarHBondContact NE2-O 2.85Å; A2005-L2009 WeakPolarHBondContact O-CD2 3.49Å; A2005-L2009 VanDerWaalsContact O-CG 3.23Å; A2005-L2009 WeakPolarHBondContact O-CG 3.29Å; A2005-L2009 PolarHBondContact O-N 3.2Å; A2006-L2009 WeakPolarHBondContact O-CB 3.35Å; A2006-L2009 PolarHBondContact O-N 3.05Å; L2007-L2009 VanDerWaalsContact C-N 3.25Å; L2007-L2009 PolarHBondContact O-N 3.22Å |
| 2010 | A | 88 | Confident | 88.2 | Confident | 31 Ų | 31 | 50.1 Ų | 50.1 | 26% | 0.256 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -80.7 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1967 V1970 A2006 L2007 Q2008 P2012 | Y1967-A2010 HydrophobicContact CD1-CB 3.94Å; V1970-A2010 HydrophobicContact CG2-CB 3.68Å; A2006-A2010 PolarHBondContact O-N 2.84Å; L2007-A2010 PolarHBondContact O-N 2.88Å; Q2008-A2010 VanDerWaalsContact C-N 3.31Å; A2010-P2012 WeakPolarHBondContact O-CD 3.16Å |
| 2011 | N | 86.7 | Confident | 88.1 | Confident | 39 Ų | 39 | 50 Ų | 50 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | trans | -119.8 | 81.5 | 179.9 | -170.8 | -0 | 0 | 0 | 0 | 110.7 | Y1967 L2007 Q2008 T2013 S2014 | Y1967-N2011 HydrophobicContact CE1-CB 3.87Å; L2007-N2011 PolarHBondContact O-N 3.26Å; Q2008-N2011 PolarHBondContact NE2-O 2.98Å; Q2008-N2011 CarbonylContact O-C 3.44Å; N2011-T2013 PolarHBondContact O-N 3.47Å; N2011-T2013 VanDerWaalsContact O-N 3.16Å; N2011-T2013 PolarHBondContact OD1-N 2.86Å; N2011-T2013 PolarHBondContact OD1-OG1 3.48Å; N2011-S2014 WeakPolarHBondContact ND2-CB 3.28Å; N2011-S2014 PolarHBondContact O-N 3.32Å; N2011-S2014 VanDerWaalsContact O-O 3.1Å | ||
| 2012 | P | 84.3 | Confident | 88.1 | Confident | 91 Ų | 91 | 50.3 Ų | 50.3 | 59% | 0.591 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -11.6 | -179.7 | 27.7 | -35.5 | 0 | 0 | 0 | 113.6 | Q2008 A2010 | Q2008-P2012 WeakPolarHBondContact O-CA 3.37Å; A2010-P2012 WeakPolarHBondContact O-CD 3.16Å |
| 2013 | T | 80.9 | Confident | 88.2 | Confident | 135 Ų | 135 | 47.2 Ų | 47.2 | 83% | 0.828 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -11.3 | -178.7 | 65.8 | 0 | 0 | 0 | 0 | 114.1 | N2011 | N2011-T2013 PolarHBondContact O-N 3.47Å; N2011-T2013 VanDerWaalsContact O-N 3.16Å; N2011-T2013 PolarHBondContact OD1-N 2.86Å; N2011-T2013 PolarHBondContact OD1-OG1 3.48Å |
| 2014 | S | 78.9 | Confident | 88.2 | Confident | 47 Ų | 47 | 47.2 Ų | 47.2 | 33% | 0.329 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -123.5 | 142.3 | 176.9 | -166.2 | 0 | 0 | 0 | 0 | 111.2 | Q2008 N2011 | Q2008-S2014 PolarHBondContact NE2-O 3.48Å; N2011-S2014 WeakPolarHBondContact ND2-CB 3.28Å; N2011-S2014 PolarHBondContact O-N 3.32Å; N2011-S2014 VanDerWaalsContact O-O 3.1Å |
| 2015 | I | 82.1 | Confident | 88.3 | Confident | 128 Ų | 128 | 45.3 Ų | 45.3 | 66% | 0.656 | 28% | 0.275 | S | S | * | . | trans | -78.9 | 127.4 | 166 | -59.4 | 175.1 | 0 | 0 | 0 | 106.7 | C2017 | I2015-C2017 PolarHBondContact O-N 3.06Š| ||
| 2016 | P | 82.9 | Confident | 88.4 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | trans | -67 | 125.4 | 179.9 | 25.9 | -33 | 0 | 0 | 0 | 110.7 | L2004 L2007 D2020 | L2004-P2016 HydrophobicContact CD2-CB 4.27Å; L2004-P2016 HydrophobicContact CD2-CG 3.94Å; L2007-P2016 HydrophobicContact CB-CB 3.8Å; L2007-P2016 HydrophobicContact CB-CG 4.09Å; L2007-P2016 HydrophobicContact CD1-CB 4.02Å; P2016-D2020 HydrophobicContact CB-CB 4.19Å | ||
| 2017 | C | 87.4 | Confident | 88.5 | Confident | 67 Ų | 67 | 44.6 Ų | 44.6 | 45% | 0.453 | 26% | 0.264 | S | S | . | . | trans | -84.7 | 175.2 | -179.8 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | I2015 D2019 D2020 L2021 | I2015-C2017 PolarHBondContact O-N 3.06Å; C2017-D2019 PolarHBondContact O-N 3.06Å; C2017-D2020 WeakPolarHBondContact CB-OD2 3.43Å; C2017-D2020 PolarHBondContact N-OD2 2.8Å; C2017-D2020 PolarHBondContact O-N 3.41Å; C2017-L2021 PolarHBondContact O-N 3.11Å | ||
| 2018 | A | 86.5 | Confident | 88.7 | Confident | 40 Ų | 40 | 44.5 Ų | 44.5 | 33% | 0.331 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -54.8 | -40.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D2020 L2021 L2022 | A2018-D2020 VanDerWaalsContact C-N 3.32Å; A2018-D2020 PolarHBondContact O-N 3.23Å; A2018-L2021 PolarHBondContact O-N 3.25Å; A2018-L2022 PolarHBondContact O-N 2.99Å |
| 2019 | D | 87.6 | Confident | 88.9 | Confident | 119 Ų | 119 | 43.1 Ų | 43.1 | 64% | 0.636 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -67.2 | -28.3 | -179.9 | -46.8 | -29.7 | 0 | 0 | 0 | 113 | C2017 P2023 | C2017-D2019 PolarHBondContact O-N 3.06Å; D2019-P2023 WeakPolarHBondContact O-CD 3.47Å; D2019-P2023 WeakPolarHBondContact O-CG 3.18Å |
| 2020 | D | 90.2 | Very high | 89.2 | Confident | 39 Ų | 39 | 39.7 Ų | 39.7 | 21% | 0.209 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -78.8 | -36.1 | 172.2 | -60.2 | -77.9 | 0 | 0 | 0 | 111.4 | Y1967 L2007 P2016 C2017 A2018 V2024 | Y1967-D2020 HydrophobicContact CE2-CB 4.11Å; Y1967-D2020 WeakPolarHBondContact CE2-OD1 3.4Å; Y1967-D2020 PolarHBondContact OH-OD1 2.98Å; L2007-D2020 HydrophobicContact CD1-CB 4.32Å; P2016-D2020 HydrophobicContact CB-CB 4.19Å; C2017-D2020 WeakPolarHBondContact CB-OD2 3.43Å; C2017-D2020 PolarHBondContact N-OD2 2.8Å; C2017-D2020 PolarHBondContact O-N 3.41Å; A2018-D2020 VanDerWaalsContact C-N 3.32Å; A2018-D2020 PolarHBondContact O-N 3.23Å; D2020-V2024 WeakPolarHBondContact O-CG2 3.43Å |
| 2021 | L | 92.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73.4 | -46.8 | -175.7 | 176.1 | 64 | 0 | 0 | 0 | 112.5 | I2000 V2003 L2004 C2017 A2018 V2024 L2025 Q2062 | I2000-L2021 HydrophobicContact CG2-CD1 4.36Å; I2000-L2021 HydrophobicContact CG2-CD2 3.97Å; V2003-L2021 HydrophobicContact CB-CD1 4.04Å; V2003-L2021 HydrophobicContact CG1-CD1 3.6Å; L2004-L2021 HydrophobicContact CD2-CB 4.38Å; L2004-L2021 HydrophobicContact CD2-CD1 4.14Å; L2004-L2021 HydrophobicContact CD2-CD2 4.23Å; L2004-L2021 HydrophobicContact CD2-CG 4.48Å; L2004-L2021 HydrophobicContact CG-CD1 4.29Å; C2017-L2021 PolarHBondContact O-N 3.11Å; A2018-L2021 PolarHBondContact O-N 3.25Å; L2021-V2024 PolarHBondContact O-N 3Å; L2021-L2025 WeakPolarHBondContact O-CB 3.29Å; L2021-L2025 PolarHBondContact O-N 3.13Å; L2021-Q2062 HydrophobicContact CD2-CG 4.44Å |
| 2022 | L | 92.8 | Very high | 89.7 | Confident | 41 Ų | 41 | 39 Ų | 39 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.5 | -47.2 | -168.6 | 179.4 | 64.1 | 0 | 0 | 0 | 113.5 | A2018 V2024 L2025 I2026 A2066 | A2018-L2022 PolarHBondContact O-N 2.99Å; L2022-V2024 VanDerWaalsContact C-N 3.3Å; L2022-V2024 PolarHBondContact O-N 3.22Å; L2022-L2025 PolarHBondContact O-N 2.92Å; L2022-I2026 HydrophobicContact CD1-CD1 4.24Å; L2022-I2026 HydrophobicContact CD1-CG1 4.41Å; L2022-I2026 HydrophobicContact CG-CD1 4.07Å; L2022-I2026 WeakPolarHBondContact O-CG1 3.4Å; L2022-I2026 PolarHBondContact O-N 3.24Å; L2022-A2066 HydrophobicContact CD1-CB 3.84Å |
| 2023 | P | 92.6 | Very high | 90.2 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 11% | 0.11 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.5 | -35.9 | 177.3 | -23 | 36 | 0 | 0 | 0 | 112.8 | I1963 D2019 I2026 Y2027 | I1963-P2023 HydrophobicContact CG1-CB 3.89Å; D2019-P2023 WeakPolarHBondContact O-CD 3.47Å; D2019-P2023 WeakPolarHBondContact O-CG 3.18Å; P2023-I2026 PolarHBondContact O-N 2.68Å; P2023-Y2027 WeakPolarHBondContact O-CB 3.27Å; P2023-Y2027 PolarHBondContact O-N 2.69Å |
| 2024 | V | 93.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.5 | -40 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | I1963 L1971 V2003 L2007 D2020 L2021 L2022 Y2027 L2028 | I1963-V2024 HydrophobicContact CD1-CG2 4.16Å; I1963-V2024 HydrophobicContact CG1-CG2 4.28Å; I1963-V2024 HydrophobicContact CG2-CG2 3.79Å; L1971-V2024 HydrophobicContact CD2-CG1 4.22Å; V2003-V2024 HydrophobicContact CG1-CB 4.47Å; V2003-V2024 HydrophobicContact CG1-CG1 3.71Å; L2007-V2024 HydrophobicContact CD2-CG1 4.43Å; L2007-V2024 HydrophobicContact CD2-CG2 4.05Å; D2020-V2024 WeakPolarHBondContact O-CG2 3.43Å; L2021-V2024 PolarHBondContact O-N 3Å; L2022-V2024 VanDerWaalsContact C-N 3.3Å; L2022-V2024 PolarHBondContact O-N 3.22Å; V2024-Y2027 PolarHBondContact O-N 3.05Å; V2024-L2028 HydrophobicContact CG1-CD1 3.84Å; V2024-L2028 HydrophobicContact CG1-CG 4.41Å; V2024-L2028 WeakPolarHBondContact O-CB 3.34Å; V2024-L2028 WeakPolarHBondContact O-CG 3.48Å; V2024-L2028 PolarHBondContact O-N 3.2Å |
| 2025 | L | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66 | -40.6 | 175.9 | -174.6 | 58.7 | 0 | 0 | 0 | 111.9 | V1999 I2000 L2021 L2022 L2028 I2029 Q2062 A2066 | V1999-L2025 HydrophobicContact CG1-CD1 4.21Å; I2000-L2025 HydrophobicContact CD1-CD2 4.25Å; L2021-L2025 WeakPolarHBondContact O-CB 3.29Å; L2021-L2025 PolarHBondContact O-N 3.13Å; L2022-L2025 PolarHBondContact O-N 2.92Å; L2025-L2028 PolarHBondContact O-N 3.47Å; L2025-I2029 HydrophobicContact CD1-CD1 4.11Å; L2025-I2029 HydrophobicContact CD1-CG1 4.31Å; L2025-I2029 HydrophobicContact CG-CD1 3.95Å; L2025-I2029 VanDerWaalsContact O-CG1 3.28Å; L2025-I2029 WeakPolarHBondContact O-CG1 3.43Å; L2025-I2029 PolarHBondContact O-N 3.4Å; L2025-Q2062 HydrophobicContact CD2-CB 4.5Å; L2025-A2066 HydrophobicContact CB-CB 4.47Å; L2025-A2066 HydrophobicContact CD2-CB 4.1Å; L2025-A2066 HydrophobicContact CG-CB 4Å |
| 2026 | I | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.4 | -52.5 | 172.5 | -70.6 | 161.9 | 0 | 0 | 0 | 110.4 | L1961 L2022 P2023 L2028 I2029 I2030 A2066 E2069 I2070 | L1961-I2026 HydrophobicContact CD1-CB 4.5Å; L1961-I2026 HydrophobicContact CD1-CG2 3.9Å; L1961-I2026 HydrophobicContact CD2-CG2 3.79Å; L2022-I2026 HydrophobicContact CD1-CD1 4.24Å; L2022-I2026 HydrophobicContact CD1-CG1 4.41Å; L2022-I2026 HydrophobicContact CG-CD1 4.07Å; L2022-I2026 WeakPolarHBondContact O-CG1 3.4Å; L2022-I2026 PolarHBondContact O-N 3.24Å; P2023-I2026 PolarHBondContact O-N 2.68Å; I2026-L2028 VanDerWaalsContact C-N 3.3Å; I2026-L2028 PolarHBondContact O-N 2.81Å; I2026-I2029 PolarHBondContact O-N 3.03Å; I2026-I2030 HydrophobicContact CG2-CD1 3.88Å; I2026-I2030 WeakPolarHBondContact O-CG1 3.33Å; I2026-I2030 PolarHBondContact O-N 2.95Å; I2026-A2066 HydrophobicContact CG1-CB 3.76Å; I2026-E2069 HydrophobicContact CD1-CB 3.89Å; I2026-E2069 HydrophobicContact CD1-CG 3.62Å; I2026-I2070 HydrophobicContact CG2-CD1 4.39Å; I2026-I2070 HydrophobicContact CG2-CG1 3.91Å |
| 2027 | Y | 94.1 | Very high | 92.3 | Very high | 24 Ų | 24 | 25.8 Ų | 25.8 | 9% | 0.094 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.5 | -42.9 | 178 | -178.2 | -96.8 | 0 | 0 | 0 | 112.5 | P1958 L1961 I1963 L1971 P1972 P2023 V2024 I2030 H2031 | P1958-Y2027 HydrophobicContact CB-CE2 4.48Å; P1958-Y2027 HydrophobicContact CG-CD2 4.33Å; P1958-Y2027 HydrophobicContact CG-CE2 3.65Å; L1961-Y2027 HydrophobicContact CD1-CD2 4.07Å; L1961-Y2027 HydrophobicContact CD1-CG 4.39Å; I1963-Y2027 HydrophobicContact CD1-CD2 4.43Å; I1963-Y2027 HydrophobicContact CD1-CG 4.05Å; L1971-Y2027 HydrophobicContact CB-CE1 4.21Å; L1971-Y2027 HydrophobicContact CD1-CD1 4Å; L1971-Y2027 HydrophobicContact CD1-CE1 3.96Å; L1971-Y2027 HydrophobicContact CD2-CD1 3.76Å; L1971-Y2027 HydrophobicContact CD2-CE1 3.98Å; L1971-Y2027 HydrophobicContact CG-CD1 4.39Å; L1971-Y2027 HydrophobicContact CG-CE1 4.28Å; P1972-Y2027 HydrophobicContact CB-CE1 4.14Å; P2023-Y2027 WeakPolarHBondContact O-CB 3.27Å; P2023-Y2027 PolarHBondContact O-N 2.69Å; V2024-Y2027 PolarHBondContact O-N 3.05Å; Y2027-I2030 PolarHBondContact O-N 2.84Å; Y2027-H2031 AromaticContact CD2-CD2 3.61Å; Y2027-H2031 AromaticContact CD2-NE2 3.83Å; Y2027-H2031 AromaticContact CE1-CD2 3.69Å; Y2027-H2031 AromaticContact CE2-CD2 3.18Å; Y2027-H2031 WeakPolarHBondContact CE2-CD2 3.47Å; Y2027-H2031 AromaticContact CE2-NE2 3.08Å; Y2027-H2031 WeakPolarHBondContact CE2-NE2 3.32Å; Y2027-H2031 AromaticContact CZ-CD2 3.21Å; Y2027-H2031 AromaticContact CZ-NE2 3.35Å; Y2027-H2031 PolarHBondContact O-CD2 2.86Å; Y2027-H2031 PolarHBondContact O-N 3.25Å; Y2027-H2031 PolarHBondContact OH-NE2 3.36Å |
| 2028 | L | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -72.7 | -34 | -179.3 | -66.9 | 171.4 | 0 | 0 | 0 | 113.2 | L1971 P1972 L1973 V1976 Q1977 L1980 V2003 V2024 L2025 I2026 A2032 | L1971-L2028 HydrophobicContact CD2-CD2 4.41Å; P1972-L2028 WeakPolarHBondContact O-CD2 3.19Å; L1973-L2028 HydrophobicContact CB-CD1 4.3Å; L1973-L2028 HydrophobicContact CB-CD2 3.84Å; L1973-L2028 HydrophobicContact CD1-CD1 4.02Å; V1976-L2028 HydrophobicContact CB-CD1 4.37Å; V1976-L2028 HydrophobicContact CG1-CD1 4.05Å; Q1977-L2028 HydrophobicContact CG-CD2 4.15Å; L1980-L2028 HydrophobicContact CD1-CB 4.3Å; V2003-L2028 HydrophobicContact CG2-CD1 3.64Å; V2024-L2028 HydrophobicContact CG1-CD1 3.84Å; V2024-L2028 HydrophobicContact CG1-CG 4.41Å; V2024-L2028 WeakPolarHBondContact O-CB 3.34Å; V2024-L2028 WeakPolarHBondContact O-CG 3.48Å; V2024-L2028 PolarHBondContact O-N 3.2Å; L2025-L2028 PolarHBondContact O-N 3.47Å; I2026-L2028 VanDerWaalsContact C-N 3.3Å; I2026-L2028 PolarHBondContact O-N 2.81Å; L2028-A2032 WeakPolarHBondContact O-CB 3.41Å; L2028-A2032 PolarHBondContact O-N 3.47Å |
| 2029 | I | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.1 | -42.8 | 173.3 | -67.8 | 166 | 0 | 0 | 0 | 110.3 | L1980 L2025 I2026 N2033 L2037 F2063 A2066 V2067 I2070 | L1980-I2029 HydrophobicContact CD1-CG1 4.29Å; L2025-I2029 HydrophobicContact CD1-CD1 4.11Å; L2025-I2029 HydrophobicContact CD1-CG1 4.31Å; L2025-I2029 HydrophobicContact CG-CD1 3.95Å; L2025-I2029 VanDerWaalsContact O-CG1 3.28Å; L2025-I2029 WeakPolarHBondContact O-CG1 3.43Å; L2025-I2029 PolarHBondContact O-N 3.4Å; I2026-I2029 PolarHBondContact O-N 3.03Å; I2029-N2033 PolarHBondContact O-N 2.76Å; I2029-L2037 HydrophobicContact CG2-CD2 3.72Å; I2029-F2063 HydrophobicContact CD1-CD2 3.78Å; I2029-F2063 HydrophobicContact CD1-CE2 3.56Å; I2029-F2063 HydrophobicContact CD1-CZ 4.41Å; I2029-F2063 HydrophobicContact CG1-CE2 4.01Å; I2029-A2066 HydrophobicContact CD1-CB 3.76Å; I2029-V2067 HydrophobicContact CD1-CG2 4.07Å; I2029-V2067 HydrophobicContact CG2-CG2 4.42Å; I2029-I2070 HydrophobicContact CB-CD1 3.83Å; I2029-I2070 HydrophobicContact CG2-CD1 3.56Å |
| 2030 | I | 93.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -57 | -57.1 | 173.8 | -68 | 168.3 | 0 | 0 | 0 | 110 | L1949 L1952 Q1953 V1956 I2026 Y2027 A2032 N2033 I2070 | L1949-I2030 HydrophobicContact CD2-CG1 4.19Å; L1952-I2030 HydrophobicContact CB-CG2 3.88Å; L1952-I2030 HydrophobicContact CD1-CD1 4.48Å; Q1953-I2030 HydrophobicContact CG-CG2 3.96Å; Q1953-I2030 WeakPolarHBondContact CG-O 3.44Å; Q1953-I2030 PolarHBondContact NE2-O 2.97Å; V1956-I2030 HydrophobicContact CB-CD1 4.49Å; V1956-I2030 HydrophobicContact CG1-CD1 4.33Å; V1956-I2030 HydrophobicContact CG2-CD1 4.41Å; I2026-I2030 HydrophobicContact CG2-CD1 3.88Å; I2026-I2030 WeakPolarHBondContact O-CG1 3.33Å; I2026-I2030 PolarHBondContact O-N 2.95Å; Y2027-I2030 PolarHBondContact O-N 2.84Å; I2030-A2032 PolarHBondContact O-N 3.12Å; I2030-N2033 PolarHBondContact O-N 3.06Å; I2030-I2070 HydrophobicContact CD1-CG1 4.25Å; I2030-I2070 HydrophobicContact CG1-CD1 3.94Å; I2030-I2070 HydrophobicContact CG1-CG1 4.06Å |
| 2031 | H | 92.1 | Very high | 93.2 | Very high | 46 Ų | 46 | 14.4 Ų | 14.4 | 21% | 0.213 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -76.7 | -12.6 | -175.9 | -73.4 | -76 | 0 | 0 | 0 | 115.9 | Q1953 Y2027 | Q1953-H2031 PolarHBondContact NE2-O 2.91Å; Q1953-H2031 PolarHBondContact O-CE1 2.91Å; Y2027-H2031 AromaticContact CD2-CD2 3.61Å; Y2027-H2031 AromaticContact CD2-NE2 3.83Å; Y2027-H2031 AromaticContact CE1-CD2 3.69Å; Y2027-H2031 AromaticContact CE2-CD2 3.18Å; Y2027-H2031 WeakPolarHBondContact CE2-CD2 3.47Å; Y2027-H2031 AromaticContact CE2-NE2 3.08Å; Y2027-H2031 WeakPolarHBondContact CE2-NE2 3.32Å; Y2027-H2031 AromaticContact CZ-CD2 3.21Å; Y2027-H2031 AromaticContact CZ-NE2 3.35Å; Y2027-H2031 PolarHBondContact O-CD2 2.86Å; Y2027-H2031 PolarHBondContact O-N 3.25Å; Y2027-H2031 PolarHBondContact OH-NE2 3.36Å |
| 2032 | A | 93.8 | Very high | 93.1 | Very high | 11 Ų | 11 | 16.5 Ų | 16.5 | 9% | 0.091 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -85.2 | -34.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1977 L1980 L2028 I2030 | Q1977-A2032 HydrophobicContact CB-CB 4Å; Q1977-A2032 HydrophobicContact CG-CB 4.22Å; L1980-A2032 HydrophobicContact CB-CB 4.05Å; L1980-A2032 HydrophobicContact CD1-CB 3.99Å; L2028-A2032 WeakPolarHBondContact O-CB 3.41Å; L2028-A2032 PolarHBondContact O-N 3.47Å; I2030-A2032 PolarHBondContact O-N 3.12Å |
| 2033 | N | 94.2 | Very high | 93 | Very high | 12 Ų | 12 | 14.6 Ų | 14.6 | 6% | 0.064 | 7% | 0.073 | C | C | . | . | trans | 41.9 | 61 | -173.9 | -168.6 | 3.2 | 0 | 0 | 0 | 113.3 | H1946 L1949 A1950 Q1953 I2029 I2030 | H1946-N2033 VanDerWaalsContact CE1-CG 3.47Å; H1946-N2033 PolarHBondContact CE1-ND2 2.85Å; H1946-N2033 PolarHBondContact CE1-O 3.18Å; H1946-N2033 PolarHBondContact CE1-OD1 3.18Å; H1946-N2033 PolarHBondContact ND1-ND2 3.44Å; H1946-N2033 PolarHBondContact ND1-OD1 2.77Å; H1946-N2033 PolarHBondContact O-ND2 3.21Å; L1949-N2033 HydrophobicContact CB-CB 4.25Å; L1949-N2033 VanDerWaalsContact CB-CG 3.46Å; L1949-N2033 VanDerWaalsContact CB-OD1 3.28Å; L1949-N2033 WeakPolarHBondContact CB-OD1 2.99Å; L1949-N2033 VanDerWaalsContact CD1-OD1 3.23Å; L1949-N2033 WeakPolarHBondContact CD1-OD1 3.35Å; A1950-N2033 PolarHBondContact N-ND2 2.85Å; Q1953-N2033 VanDerWaalsContact NE2-CB 3.34Å; I2029-N2033 PolarHBondContact O-N 2.76Å; I2030-N2033 PolarHBondContact O-N 3.06Å | ||
| 2034 | P | 93.7 | Very high | 93 | Very high | 3 Ų | 3 | 13.8 Ų | 13.8 | 2% | 0.019 | 7% | 0.068 | C | C | . | . | trans | -65.5 | 140.2 | -170.7 | 27.8 | -35 | 0 | 0 | 0 | 112 | L2037 | P2034-L2037 HydrophobicContact CG-CB 4.34Å; P2034-L2037 HydrophobicContact CG-CD1 4.1Å; P2034-L2037 HydrophobicContact CG-CD2 3.94Å; P2034-L2037 HydrophobicContact CG-CG 4.36Å | ||
| 2035 | P | 90.8 | Very high | 92.8 | Very high | 44 Ų | 44 | 17.8 Ų | 17.8 | 29% | 0.286 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 146.1 | -174.9 | 26.1 | -33.3 | 0 | 0 | 0 | 112.2 | D1984 L2037 N2040 | D1984-P2035 HydrophobicContact CB-CG 3.87Å; P2035-L2037 PolarHBondContact O-N 3.22Å; P2035-N2040 PolarHBondContact O-ND2 3.12Å |
| 2036 | R | 91.2 | Very high | 92.5 | Very high | 73 Ų | 73 | 19.1 Ų | 19.1 | 28% | 0.275 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 36.9 | 179.5 | -60.1 | -164.3 | -59.6 | -59.8 | 2.8 | 114.4 | D1942 D1984 L2038 S2039 N2040 | D1942-R2036 VanDerWaalsContact CG-CA 3.45Å; D1942-R2036 VanDerWaalsContact OD1-C 3.24Å; D1942-R2036 WeakPolarHBondContact OD2-CA 3.43Å; D1984-R2036 VanDerWaalsContact CG-CZ 3.43Å; D1984-R2036 VanDerWaalsContact CG-NH1 3.34Å; D1984-R2036 IonicContact OD1-CZ 2.75Å; D1984-R2036 IonicContact OD1-NE 3.11Å; D1984-R2036 IonicContact OD1-NH1 3.82Å; D1984-R2036 PolarHBondContact OD1-NH1 2.9Å; D1984-R2036 IonicContact OD1-NH2 3.32Å; D1984-R2036 PolarHBondContact OD1-NH2 2.96Å; D1984-R2036 IonicContact OD2-CZ 3.97Å; D1984-R2036 IonicContact OD2-NH1 2.67Å; D1984-R2036 PolarHBondContact OD2-NH1 3.09Å; D1984-R2036 IonicContact OD2-NH2 2.8Å; D1984-R2036 PolarHBondContact OD2-NH2 3.25Å; R2036-L2038 VanDerWaalsContact C-N 3.26Å; R2036-L2038 PolarHBondContact O-N 2.85Å; R2036-S2039 PolarHBondContact O-N 3.43Å; R2036-N2040 WeakPolarHBondContact O-CB 3.17Å; R2036-N2040 VanDerWaalsContact O-CG 3.32Å; R2036-N2040 PolarHBondContact O-N 2.91Å; R2036-N2040 PolarHBondContact O-ND2 2.94Å; R2036-N2040 VanDerWaalsContact O-ND2 3.07Å |
| 2037 | L | 93.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -55.3 | -37.5 | -172.3 | 178.1 | 52.8 | 0 | 0 | 0 | 113 | D1942 F1945 L1949 L1983 I2029 P2034 P2035 I2041 F2063 V2067 | D1942-L2037 PolarHBondContact OD1-N 3.47Å; F1945-L2037 HydrophobicContact CD1-CD2 4.49Å; F1945-L2037 HydrophobicContact CE1-CD2 3.83Å; F1945-L2037 HydrophobicContact CE1-CG 4.33Å; L1949-L2037 HydrophobicContact CD1-CD2 4.2Å; L1983-L2037 HydrophobicContact CD2-CD1 4.43Å; I2029-L2037 HydrophobicContact CG2-CD2 3.72Å; P2034-L2037 HydrophobicContact CG-CB 4.34Å; P2034-L2037 HydrophobicContact CG-CD1 4.1Å; P2034-L2037 HydrophobicContact CG-CD2 3.94Å; P2034-L2037 HydrophobicContact CG-CG 4.36Å; P2035-L2037 PolarHBondContact O-N 3.22Å; L2037-I2041 HydrophobicContact CD1-CD1 3.81Å; L2037-I2041 HydrophobicContact CD1-CG1 4.29Å; L2037-I2041 HydrophobicContact CG-CD1 4.09Å; L2037-I2041 WeakPolarHBondContact O-CD1 3.5Å; L2037-I2041 WeakPolarHBondContact O-CG1 3.36Å; L2037-I2041 PolarHBondContact O-N 3.47Å; L2037-F2063 HydrophobicContact CD1-CE1 3.9Å; L2037-F2063 HydrophobicContact CD1-CZ 3.59Å; L2037-V2067 HydrophobicContact CD1-CG2 4.45Å; L2037-V2067 HydrophobicContact CD2-CG2 4.18Å |
| 2038 | L | 92.5 | Very high | 91.6 | Very high | 9 Ų | 9 | 19.8 Ų | 19.8 | 5% | 0.047 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -78.9 | -42.3 | -177 | -52 | -169.7 | 0 | 0 | 0 | 112.1 | R1941 D1942 F1945 R2036 N2040 I2041 E2042 V2067 | R1941-L2038 HydrophobicContact CG-CD1 3.98Å; D1942-L2038 WeakPolarHBondContact OD1-CA 3.38Å; D1942-L2038 VanDerWaalsContact OD1-CB 3.24Å; D1942-L2038 WeakPolarHBondContact OD1-CB 3.38Å; D1942-L2038 PolarHBondContact OD1-N 2.91Å; F1945-L2038 HydrophobicContact CB-CD1 3.75Å; F1945-L2038 HydrophobicContact CB-CG 4.18Å; F1945-L2038 HydrophobicContact CD1-CD1 3.95Å; F1945-L2038 HydrophobicContact CD1-CD2 3.52Å; F1945-L2038 HydrophobicContact CD1-CG 3.65Å; F1945-L2038 HydrophobicContact CD2-CD1 4.01Å; F1945-L2038 HydrophobicContact CD2-CD2 4.49Å; F1945-L2038 HydrophobicContact CE1-CD2 3.45Å; F1945-L2038 VanDerWaalsContact CE1-CD2 3.45Å; F1945-L2038 HydrophobicContact CE1-CG 4.14Å; F1945-L2038 HydrophobicContact CE2-CD2 4.45Å; F1945-L2038 HydrophobicContact CG-CD1 3.64Å; F1945-L2038 HydrophobicContact CG-CD2 4.07Å; F1945-L2038 HydrophobicContact CG-CG 3.89Å; F1945-L2038 HydrophobicContact CZ-CD2 3.96Å; R2036-L2038 VanDerWaalsContact C-N 3.26Å; R2036-L2038 PolarHBondContact O-N 2.85Å; L2038-N2040 VanDerWaalsContact C-N 3.32Å; L2038-I2041 PolarHBondContact O-N 3.25Å; L2038-E2042 PolarHBondContact O-N 3.18Å; L2038-V2067 HydrophobicContact CD2-CG1 4.13Å |
| 2039 | S | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.6 | -33.6 | 172.8 | -51.3 | 0 | 0 | 0 | 0 | 111.6 | W1931 R1941 D1942 R2036 I2041 E2042 F2043 | W1931-S2039 PolarHBondContact NE1-OG 3.45Å; R1941-S2039 PolarHBondContact NH2-OG 3.08Å; D1942-S2039 PolarHBondContact OD1-N 3.46Å; D1942-S2039 WeakPolarHBondContact OD2-CB 3.39Å; D1942-S2039 PolarHBondContact OD2-N 2.79Å; D1942-S2039 VanDerWaalsContact OD2-N 3.17Å; D1942-S2039 PolarHBondContact OD2-OG 3.11Å; R2036-S2039 PolarHBondContact O-N 3.43Å; S2039-I2041 VanDerWaalsContact C-N 3.3Å; S2039-I2041 PolarHBondContact O-N 2.88Å; S2039-E2042 PolarHBondContact O-N 2.99Å; S2039-F2043 WeakPolarHBondContact O-CB 3.41Å; S2039-F2043 PolarHBondContact O-N 3.26Å |
| 2040 | N | 92.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.9 | -35.2 | 171.5 | -81.9 | -46.7 | 0 | 0 | 0 | 112.2 | Y1926 L1983 D1984 K1992 P2035 R2036 L2038 I2044 | Y1926-N2040 PolarHBondContact OH-OD1 2.58Å; L1983-N2040 HydrophobicContact CD2-CB 4.47Å; D1984-N2040 PolarHBondContact OD1-ND2 3.4Å; K1992-N2040 WeakPolarHBondContact CE-OD1 3.35Å; K1992-N2040 PolarHBondContact NZ-OD1 3.39Å; P2035-N2040 PolarHBondContact O-ND2 3.12Å; R2036-N2040 WeakPolarHBondContact O-CB 3.17Å; R2036-N2040 VanDerWaalsContact O-CG 3.32Å; R2036-N2040 PolarHBondContact O-N 2.91Å; R2036-N2040 PolarHBondContact O-ND2 2.94Å; R2036-N2040 VanDerWaalsContact O-ND2 3.07Å; L2038-N2040 VanDerWaalsContact C-N 3.32Å; N2040-I2044 WeakPolarHBondContact O-CD1 3.44Å; N2040-I2044 VanDerWaalsContact O-CG1 3.26Å; N2040-I2044 WeakPolarHBondContact O-CG1 3.44Å; N2040-I2044 PolarHBondContact O-N 3.45Å |
| 2041 | I | 92.5 | Very high | 87.5 | Confident | 16 Ų | 16 | 35.9 Ų | 35.9 | 8% | 0.082 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.8 | -44.2 | 174.7 | -72.3 | 161.8 | 0 | 0 | 0 | 112 | L2037 L2038 S2039 F2043 I2044 N2045 W2060 F2063 V2067 | L2037-I2041 HydrophobicContact CD1-CD1 3.81Å; L2037-I2041 HydrophobicContact CD1-CG1 4.29Å; L2037-I2041 HydrophobicContact CG-CD1 4.09Å; L2037-I2041 WeakPolarHBondContact O-CD1 3.5Å; L2037-I2041 WeakPolarHBondContact O-CG1 3.36Å; L2037-I2041 PolarHBondContact O-N 3.47Å; L2038-I2041 PolarHBondContact O-N 3.25Å; S2039-I2041 VanDerWaalsContact C-N 3.3Å; S2039-I2041 PolarHBondContact O-N 2.88Å; I2041-F2043 VanDerWaalsContact C-N 3.34Å; I2041-F2043 PolarHBondContact O-N 3.49Å; I2041-I2044 PolarHBondContact O-N 3.02Å; I2041-N2045 PolarHBondContact O-N 3.31Å; I2041-N2045 PolarHBondContact O-ND2 3.02Å; I2041-W2060 HydrophobicContact CB-CH2 4.1Å; I2041-W2060 HydrophobicContact CG1-CH2 3.91Å; I2041-W2060 HydrophobicContact CG2-CH2 3.94Å; I2041-W2060 HydrophobicContact CG2-CZ2 4Å; I2041-F2063 HydrophobicContact CD1-CE1 4.07Å; I2041-F2063 HydrophobicContact CG1-CD1 4.49Å; I2041-F2063 HydrophobicContact CG1-CE1 3.95Å; I2041-V2067 HydrophobicContact CD1-CB 4.11Å; I2041-V2067 HydrophobicContact CD1-CG1 3.78Å; I2041-V2067 HydrophobicContact CD1-CG2 3.99Å |
| 2042 | E | 89.6 | Confident | 86.6 | Confident | 45 Ų | 45 | 34.9 Ų | 34.9 | 21% | 0.21 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 177.4 | -171 | 162.9 | 179.4 | 0 | 0 | 111.4 | N1933 R1941 L2038 S2039 I2044 N2045 N2046 | N1933-E2042 PolarHBondContact ND2-OE1 3.46Å; N1933-E2042 VanDerWaalsContact ND2-OE1 3.1Å; R1941-E2042 IonicContact CZ-OE2 3.09Å; R1941-E2042 IonicContact NH1-OE2 3.14Å; R1941-E2042 PolarHBondContact NH1-OE2 3.33Å; R1941-E2042 IonicContact NH2-OE2 3.1Å; R1941-E2042 PolarHBondContact NH2-OE2 2.92Å; L2038-E2042 PolarHBondContact O-N 3.18Å; S2039-E2042 PolarHBondContact O-N 2.99Å; E2042-I2044 PolarHBondContact O-N 3.3Å; E2042-N2045 PolarHBondContact O-N 3.43Å; E2042-N2046 WeakPolarHBondContact O-CB 3.24Å; E2042-N2046 PolarHBondContact O-N 2.73Å; E2042-N2046 PolarHBondContact O-ND2 3.29Å |
| 2043 | F | 91.9 | Very high | 85.9 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59 | -42.9 | 172.9 | -177.9 | -91.6 | 0 | 0 | 0 | 113 | M1922 Y1926 H1987 K1992 S2039 I2041 N2046 F2047 | M1922-F2043 HydrophobicContact CE-CE2 4.27Å; M1922-F2043 HydrophobicContact CE-CZ 3.64Å; Y1926-F2043 HydrophobicContact CD2-CD2 4.47Å; Y1926-F2043 HydrophobicContact CD2-CE1 4.43Å; Y1926-F2043 AromaticContact CD2-CE2 3.79Å; Y1926-F2043 HydrophobicContact CD2-CE2 3.79Å; Y1926-F2043 AromaticContact CD2-CZ 3.77Å; Y1926-F2043 HydrophobicContact CD2-CZ 3.77Å; Y1926-F2043 HydrophobicContact CE2-CD1 4.46Å; Y1926-F2043 HydrophobicContact CE2-CD2 4.32Å; Y1926-F2043 HydrophobicContact CE2-CE1 4.16Å; Y1926-F2043 HydrophobicContact CE2-CE2 4.01Å; Y1926-F2043 AromaticContact CE2-CZ 3.92Å; Y1926-F2043 HydrophobicContact CE2-CZ 3.92Å; H1987-F2043 VanDerWaalsContact O-CZ 3.23Å; H1987-F2043 WeakPolarHBondContact O-CZ 3.48Å; K1992-F2043 HydrophobicContact CD-CD1 3.93Å; K1992-F2043 HydrophobicContact CD-CE1 4.31Å; S2039-F2043 WeakPolarHBondContact O-CB 3.41Å; S2039-F2043 PolarHBondContact O-N 3.26Å; I2041-F2043 VanDerWaalsContact C-N 3.34Å; I2041-F2043 PolarHBondContact O-N 3.49Å; F2043-N2046 PolarHBondContact O-N 3.47Å; F2043-F2047 HydrophobicContact CD1-CD2 4.46Å; F2043-F2047 AromaticContact CD2-CD2 3.55Å; F2043-F2047 HydrophobicContact CD2-CD2 3.55Å; F2043-F2047 AromaticContact CD2-CE2 3.81Å; F2043-F2047 HydrophobicContact CD2-CE2 3.81Å; F2043-F2047 HydrophobicContact CE1-CD2 4.42Å; F2043-F2047 AromaticContact CE2-CD2 3.48Å; F2043-F2047 HydrophobicContact CE2-CD2 3.48Å; F2043-F2047 VanDerWaalsContact CE2-CD2 3.48Å; F2043-F2047 AromaticContact CE2-CE2 3.76Å; F2043-F2047 HydrophobicContact CE2-CE2 3.76Å; F2043-F2047 HydrophobicContact CE2-CG 4.39Å; F2043-F2047 HydrophobicContact CG-CD2 4.06Å; F2043-F2047 AromaticContact CZ-CD2 3.95Å; F2043-F2047 HydrophobicContact CZ-CD2 3.95Å; F2043-F2047 HydrophobicContact CZ-CG 4.48Å; F2043-F2047 WeakPolarHBondContact O-CD2 3.3Å; F2043-F2047 PolarHBondContact O-N 3.2Å |
| 2044 | I | 91.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.9 | -45 | 176.6 | -66.7 | 162.1 | 0 | 0 | 0 | 110.5 | K1992 L1993 L1996 N2040 I2041 E2042 N2046 F2047 A2048 W2060 | K1992-I2044 HydrophobicContact CB-CD1 3.79Å; K1992-I2044 HydrophobicContact CB-CG1 3.97Å; K1992-I2044 HydrophobicContact CD-CD1 4Å; K1992-I2044 HydrophobicContact CD-CG1 3.79Å; L1993-I2044 HydrophobicContact CD1-CG2 4.38Å; L1993-I2044 HydrophobicContact CD2-CG2 3.92Å; L1993-I2044 HydrophobicContact CG-CG2 4.1Å; L1996-I2044 HydrophobicContact CD1-CD1 4.4Å; N2040-I2044 WeakPolarHBondContact O-CD1 3.44Å; N2040-I2044 VanDerWaalsContact O-CG1 3.26Å; N2040-I2044 WeakPolarHBondContact O-CG1 3.44Å; N2040-I2044 PolarHBondContact O-N 3.45Å; I2041-I2044 PolarHBondContact O-N 3.02Å; E2042-I2044 PolarHBondContact O-N 3.3Å; I2044-N2046 PolarHBondContact O-N 3.27Å; I2044-F2047 PolarHBondContact O-N 3.02Å; I2044-A2048 HydrophobicContact CG2-CB 4.19Å; I2044-A2048 WeakPolarHBondContact O-CB 3.49Å; I2044-A2048 PolarHBondContact O-N 2.92Å; I2044-W2060 HydrophobicContact CB-CH2 3.63Å; I2044-W2060 HydrophobicContact CB-CZ2 3.75Å; I2044-W2060 HydrophobicContact CB-CZ3 4.15Å; I2044-W2060 HydrophobicContact CD1-CE3 4.35Å; I2044-W2060 HydrophobicContact CD1-CH2 3.58Å; I2044-W2060 HydrophobicContact CD1-CZ3 3.46Å; I2044-W2060 VanDerWaalsContact CD1-CZ3 3.46Å; I2044-W2060 HydrophobicContact CG1-CH2 4.22Å; I2044-W2060 HydrophobicContact CG1-CZ3 4.41Å; I2044-W2060 HydrophobicContact CG2-CD2 3.93Å; I2044-W2060 HydrophobicContact CG2-CE3 3.96Å; I2044-W2060 HydrophobicContact CG2-CH2 3.65Å; I2044-W2060 HydrophobicContact CG2-CZ2 3.54Å; I2044-W2060 HydrophobicContact CG2-CZ3 3.85Å |
| 2045 | N | 89.5 | Confident | 85.2 | Confident | 85 Ų | 85 | 42.5 Ų | 42.5 | 46% | 0.455 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.5 | -35.6 | 175.2 | -71.9 | -37.1 | 0 | 0 | 0 | 112.2 | I2041 E2042 W2060 | I2041-N2045 PolarHBondContact O-N 3.31Å; I2041-N2045 PolarHBondContact O-ND2 3.02Å; E2042-N2045 PolarHBondContact O-N 3.43Å; N2045-W2060 WeakPolarHBondContact OD1-CZ2 3.41Å; N2045-W2060 PolarHBondContact OD1-NE1 2.92Å |
| 2046 | N | 88.1 | Confident | 85.1 | Confident | 28 Ų | 28 | 42.4 Ų | 42.4 | 15% | 0.15 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -77.1 | -31 | 179.4 | -68.6 | -17.5 | 0 | 0 | 0 | 113.4 | V1846 Q1850 I1932 E2042 F2043 I2044 | V1846-N2046 HydrophobicContact CG1-CB 4.33Å; V1846-N2046 WeakPolarHBondContact CG1-OD1 3.29Å; Q1850-N2046 WeakPolarHBondContact CG-O 3.41Å; Q1850-N2046 PolarHBondContact NE2-O 2.91Å; I1932-N2046 HydrophobicContact CD1-CB 4.48Å; E2042-N2046 WeakPolarHBondContact O-CB 3.24Å; E2042-N2046 PolarHBondContact O-N 2.73Å; E2042-N2046 PolarHBondContact O-ND2 3.29Å; F2043-N2046 PolarHBondContact O-N 3.47Å; I2044-N2046 PolarHBondContact O-N 3.27Å |
| 2047 | F | 87.2 | Confident | 85 | Confident | 31 Ų | 31 | 43.9 Ų | 43.9 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -120.8 | 3 | -172.1 | -66.1 | -71.2 | 0 | 0 | 0 | 116.1 | V1849 Q1850 V1853 V1929 I1932 S1989 F2043 I2044 | V1849-F2047 HydrophobicContact CG1-CZ 4.29Å; Q1850-F2047 HydrophobicContact CG-CE1 4.41Å; V1853-F2047 HydrophobicContact CB-CE1 4.16Å; V1853-F2047 HydrophobicContact CG1-CE1 4.23Å; V1853-F2047 HydrophobicContact CG2-CE1 4.16Å; V1853-F2047 HydrophobicContact CG2-CZ 4.49Å; V1929-F2047 HydrophobicContact CB-CE2 4.17Å; V1929-F2047 HydrophobicContact CB-CZ 4.1Å; V1929-F2047 HydrophobicContact CG1-CE1 4.49Å; V1929-F2047 HydrophobicContact CG1-CE2 4.02Å; V1929-F2047 HydrophobicContact CG1-CZ 3.52Å; I1932-F2047 HydrophobicContact CD1-CE2 3.96Å; I1932-F2047 HydrophobicContact CD1-CZ 3.98Å; S1989-F2047 WeakPolarHBondContact CB-O 3.41Å; S1989-F2047 PolarHBondContact OG-O 3.35Å; F2043-F2047 HydrophobicContact CD1-CD2 4.46Å; F2043-F2047 AromaticContact CD2-CD2 3.55Å; F2043-F2047 HydrophobicContact CD2-CD2 3.55Å; F2043-F2047 AromaticContact CD2-CE2 3.81Å; F2043-F2047 HydrophobicContact CD2-CE2 3.81Å; F2043-F2047 HydrophobicContact CE1-CD2 4.42Å; F2043-F2047 AromaticContact CE2-CD2 3.48Å; F2043-F2047 HydrophobicContact CE2-CD2 3.48Å; F2043-F2047 VanDerWaalsContact CE2-CD2 3.48Å; F2043-F2047 AromaticContact CE2-CE2 3.76Å; F2043-F2047 HydrophobicContact CE2-CE2 3.76Å; F2043-F2047 HydrophobicContact CE2-CG 4.39Å; F2043-F2047 HydrophobicContact CG-CD2 4.06Å; F2043-F2047 AromaticContact CZ-CD2 3.95Å; F2043-F2047 HydrophobicContact CZ-CD2 3.95Å; F2043-F2047 HydrophobicContact CZ-CG 4.48Å; F2043-F2047 WeakPolarHBondContact O-CD2 3.3Å; F2043-F2047 PolarHBondContact O-N 3.2Å; I2044-F2047 PolarHBondContact O-N 3.02Å |
| 2048 | A | 82.5 | Confident | 84.8 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -86.4 | -36.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1993 I2044 N2051 L2052 | L1993-A2048 HydrophobicContact CD1-CB 4.01Å; I2044-A2048 HydrophobicContact CG2-CB 4.19Å; I2044-A2048 WeakPolarHBondContact O-CB 3.49Å; I2044-A2048 PolarHBondContact O-N 2.92Å; A2048-N2051 WeakPolarHBondContact O-CB 3.43Å; A2048-L2052 HydrophobicContact CB-CD1 3.81Å; A2048-L2052 HydrophobicContact CB-CD2 4.19Å; A2048-L2052 HydrophobicContact CB-CG 3.75Å |
| 2049 | G | 69.3 | Low | 84.7 | Confident | 43 Ų | 43 | 48.2 Ų | 48.2 | 44% | 0.443 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | 57 | -154.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | N2051 L2052 | G2049-N2051 PolarHBondContact O-N 2.84Å; G2049-L2052 PolarHBondContact O-N 2.99Å |
| 2050 | D | 63.8 | Low | 84.7 | Confident | 156 Ų | 156 | 49 Ų | 49 | 83% | 0.834 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -69.3 | 2.2 | -179.8 | -54.5 | -40.6 | 0 | 0 | 0 | 113.6 | L2052 N2053 | D2050-L2052 VanDerWaalsContact C-N 3.29Å; D2050-L2052 PolarHBondContact O-N 3.26Å; D2050-N2053 PolarHBondContact O-ND2 2.91Å |
| 2051 | N | 64.3 | Low | 84.7 | Confident | 139 Ų | 139 | 52.5 Ų | 52.5 | 74% | 0.743 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -78.8 | -10.3 | 178 | -60.9 | -42.4 | 0 | 0 | 0 | 113.1 | A2048 G2049 N2053 | A2048-N2051 WeakPolarHBondContact O-CB 3.43Å; G2049-N2051 PolarHBondContact O-N 2.84Å; N2051-N2053 VanDerWaalsContact C-N 3.3Å; N2051-N2053 PolarHBondContact O-N 3.5Å; N2051-N2053 PolarHBondContact O-ND2 3.42Å |
| 2052 | L | 73.6 | Confident | 84.6 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | trans | -68.4 | 81.8 | 172.3 | -76.3 | 170.7 | 0 | 0 | 0 | 111.4 | L1993 A2048 G2049 D2050 Q2057 W2060 | L1993-L2052 HydrophobicContact CD1-CD2 3.61Å; L1993-L2052 HydrophobicContact CD2-CD2 3.84Å; L1993-L2052 HydrophobicContact CG-CD2 4.4Å; A2048-L2052 HydrophobicContact CB-CD1 3.81Å; A2048-L2052 HydrophobicContact CB-CD2 4.19Å; A2048-L2052 HydrophobicContact CB-CG 3.75Å; G2049-L2052 PolarHBondContact O-N 2.99Å; D2050-L2052 VanDerWaalsContact C-N 3.29Å; D2050-L2052 PolarHBondContact O-N 3.26Å; L2052-Q2057 HydrophobicContact CB-CB 4.46Å; L2052-Q2057 HydrophobicContact CB-CG 4.31Å; L2052-Q2057 WeakPolarHBondContact O-CB 3.5Å; L2052-Q2057 WeakPolarHBondContact O-CG 3.34Å; L2052-Q2057 PolarHBondContact O-NE2 2.82Å; L2052-Q2057 PolarHBondContact O-OE1 3.04Å; L2052-W2060 HydrophobicContact CD1-CG 4.34Å; L2052-W2060 HydrophobicContact CD2-CB 4.21Å; L2052-W2060 HydrophobicContact CD2-CG 4.32Å | ||
| 2053 | N | 77.5 | Confident | 84.9 | Confident | 104 Ų | 104 | 50.5 Ų | 50.5 | 56% | 0.556 | 28% | 0.281 | S | S | * | . | trans | -119.4 | 143.1 | -179.5 | -68 | -79.8 | 0 | 0 | 0 | 112.2 | D2050 N2051 | D2050-N2053 PolarHBondContact O-ND2 2.91Å; N2051-N2053 VanDerWaalsContact C-N 3.3Å; N2051-N2053 PolarHBondContact O-N 3.5Å; N2051-N2053 PolarHBondContact O-ND2 3.42Å | ||
| 2054 | G | 85.6 | Confident | 84.9 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 44% | 0.443 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | -133.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L2056 Q2057 Y2058 | G2054-L2056 VanDerWaalsContact C-N 3.31Å; G2054-L2056 PolarHBondContact O-N 3.06Å; G2054-Q2057 WeakPolarHBondContact O-CA 3.25Å; G2054-Q2057 VanDerWaalsContact O-CB 3.27Å; G2054-Q2057 WeakPolarHBondContact O-CB 3.28Å; G2054-Q2057 PolarHBondContact O-N 2.93Å; G2054-Y2058 PolarHBondContact O-N 3.02Å; G2054-Y2058 VanDerWaalsContact O-N 3.1Å |
| 2055 | E | 88 | Confident | 85 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -33.3 | -173.6 | -179.7 | -120.9 | -136.4 | 0 | 0 | 113.4 | M1397 N1398 K1997 Q2057 Y2058 I2059 | M1397-E2055 HydrophobicContact CE-CB 3.42Å; M1397-E2055 VanDerWaalsContact CE-CB 3.42Å; M1397-E2055 HydrophobicContact CE-CG 3.64Å; M1397-E2055 HydrophobicContact SD-CB 3.85Å; M1397-E2055 HydrophobicContact SD-CG 4.24Å; N1398-E2055 PolarHBondContact ND2-OE1 3.39Å; K1997-E2055 VanDerWaalsContact CD-OE2 3.3Å; K1997-E2055 WeakPolarHBondContact CD-OE2 3.21Å; K1997-E2055 WeakPolarHBondContact CE-OE1 3.39Å; K1997-E2055 WeakPolarHBondContact CE-OE2 3.28Å; K1997-E2055 VanDerWaalsContact NZ-CD 3.31Å; K1997-E2055 IonicContact NZ-OE1 3.48Å; K1997-E2055 PolarHBondContact NZ-OE1 3.16Å; K1997-E2055 IonicContact NZ-OE2 2.79Å; K1997-E2055 PolarHBondContact NZ-OE2 2.96Å; E2055-Q2057 VanDerWaalsContact C-N 3.28Å; E2055-Q2057 PolarHBondContact O-N 3.25Å; E2055-Y2058 PolarHBondContact O-N 3.37Å; E2055-I2059 HydrophobicContact CG-CD1 3.76Å; E2055-I2059 HydrophobicContact CG-CG1 4.39Å; E2055-I2059 WeakPolarHBondContact O-CB 3.28Å; E2055-I2059 WeakPolarHBondContact O-CD1 3.37Å; E2055-I2059 VanDerWaalsContact O-CG1 3.3Å; E2055-I2059 WeakPolarHBondContact O-CG1 3.49Å; E2055-I2059 PolarHBondContact O-N 3.21Å; E2055-I2059 WeakPolarHBondContact OE2-CD1 3.3Å |
| 2056 | L | 88.5 | Confident | 85.3 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 22% | 0.22 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.3 | -33.7 | 174 | -67.9 | 179 | 0 | 0 | 0 | 112.3 | K1997 G2054 W2060 | K1997-L2056 HydrophobicContact CB-CD2 4.48Å; K1997-L2056 HydrophobicContact CD-CD2 3.93Å; G2054-L2056 VanDerWaalsContact C-N 3.31Å; G2054-L2056 PolarHBondContact O-N 3.06Å; L2056-W2060 VanDerWaalsContact O-CB 3.29Å; L2056-W2060 WeakPolarHBondContact O-CB 3.46Å; L2056-W2060 PolarHBondContact O-N 2.93Å |
| 2057 | Q | 89.3 | Confident | 85.6 | Confident | 104 Ų | 104 | 49.3 Ų | 49.3 | 49% | 0.486 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70.7 | -39.2 | 175 | -160.8 | 179.9 | 21.7 | 0 | 0 | 111.3 | L2052 G2054 E2055 W2060 C2061 | L2052-Q2057 HydrophobicContact CB-CB 4.46Å; L2052-Q2057 HydrophobicContact CB-CG 4.31Å; L2052-Q2057 WeakPolarHBondContact O-CB 3.5Å; L2052-Q2057 WeakPolarHBondContact O-CG 3.34Å; L2052-Q2057 PolarHBondContact O-NE2 2.82Å; L2052-Q2057 PolarHBondContact O-OE1 3.04Å; G2054-Q2057 WeakPolarHBondContact O-CA 3.25Å; G2054-Q2057 VanDerWaalsContact O-CB 3.27Å; G2054-Q2057 WeakPolarHBondContact O-CB 3.28Å; G2054-Q2057 PolarHBondContact O-N 2.93Å; E2055-Q2057 VanDerWaalsContact C-N 3.28Å; E2055-Q2057 PolarHBondContact O-N 3.25Å; Q2057-W2060 PolarHBondContact O-N 3.2Å; Q2057-C2061 VanDerWaalsContact O-CB 3.3Å; Q2057-C2061 WeakPolarHBondContact O-CB 3.33Å; Q2057-C2061 PolarHBondContact O-N 3.04Å |
| 2058 | Y | 90.3 | Very high | 85.8 | Confident | 101 Ų | 101 | 50.4 Ų | 50.4 | 40% | 0.396 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 174.1 | 174.2 | -99.7 | 0 | 0 | 0 | 112.2 | G2054 E2055 W2060 C2061 Q2062 | G2054-Y2058 PolarHBondContact O-N 3.02Å; G2054-Y2058 VanDerWaalsContact O-N 3.1Å; E2055-Y2058 PolarHBondContact O-N 3.37Å; Y2058-W2060 VanDerWaalsContact C-N 3.29Å; Y2058-W2060 PolarHBondContact O-N 3.35Å; Y2058-C2061 PolarHBondContact O-N 3.17Å; Y2058-Q2062 HydrophobicContact CD1-CG 4.44Å; Y2058-Q2062 HydrophobicContact CD2-CG 4.42Å; Y2058-Q2062 HydrophobicContact CE1-CG 3.98Å; Y2058-Q2062 HydrophobicContact CE2-CG 3.96Å; Y2058-Q2062 WeakPolarHBondContact O-CG 3.49Å; Y2058-Q2062 PolarHBondContact O-N 3.14Å; Y2058-Q2062 PolarHBondContact OH-NE2 3.39Å |
| 2059 | I | 90.5 | Very high | 86.2 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.3 | -44.7 | 173.9 | -74.7 | 159.8 | 0 | 0 | 0 | 110.6 | L1996 K1997 I2000 E2055 F2063 | L1996-I2059 HydrophobicContact CB-CG2 3.88Å; K1997-I2059 HydrophobicContact CB-CD1 3.79Å; K1997-I2059 HydrophobicContact CD-CD1 4.08Å; K1997-I2059 HydrophobicContact CG-CD1 3.73Å; I2000-I2059 HydrophobicContact CD1-CB 4.26Å; I2000-I2059 HydrophobicContact CD1-CG1 4.19Å; I2000-I2059 HydrophobicContact CD1-CG2 4.03Å; E2055-I2059 HydrophobicContact CG-CD1 3.76Å; E2055-I2059 HydrophobicContact CG-CG1 4.39Å; E2055-I2059 WeakPolarHBondContact O-CB 3.28Å; E2055-I2059 WeakPolarHBondContact O-CD1 3.37Å; E2055-I2059 VanDerWaalsContact O-CG1 3.3Å; E2055-I2059 WeakPolarHBondContact O-CG1 3.49Å; E2055-I2059 PolarHBondContact O-N 3.21Å; E2055-I2059 WeakPolarHBondContact OE2-CD1 3.3Å; I2059-F2063 WeakPolarHBondContact O-CB 3.44Å; I2059-F2063 PolarHBondContact O-N 3.03Å |
| 2060 | W | 93 | Very high | 87.3 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 177.6 | -170.7 | -125.7 | 0 | 0 | 0 | 112.3 | L1993 L1996 I2041 I2044 N2045 L2052 L2056 Q2057 Y2058 F2063 C2064 | L1993-W2060 HydrophobicContact CD2-CB 4.19Å; L1993-W2060 HydrophobicContact CD2-CD2 4.14Å; L1993-W2060 HydrophobicContact CD2-CE3 3.88Å; L1993-W2060 HydrophobicContact CD2-CG 4.29Å; L1996-W2060 HydrophobicContact CD1-CE3 3.77Å; L1996-W2060 HydrophobicContact CD1-CZ3 3.61Å; I2041-W2060 HydrophobicContact CB-CH2 4.1Å; I2041-W2060 HydrophobicContact CG1-CH2 3.91Å; I2041-W2060 HydrophobicContact CG2-CH2 3.94Å; I2041-W2060 HydrophobicContact CG2-CZ2 4Å; I2044-W2060 HydrophobicContact CB-CH2 3.63Å; I2044-W2060 HydrophobicContact CB-CZ2 3.75Å; I2044-W2060 HydrophobicContact CB-CZ3 4.15Å; I2044-W2060 HydrophobicContact CD1-CE3 4.35Å; I2044-W2060 HydrophobicContact CD1-CH2 3.58Å; I2044-W2060 HydrophobicContact CD1-CZ3 3.46Å; I2044-W2060 VanDerWaalsContact CD1-CZ3 3.46Å; I2044-W2060 HydrophobicContact CG1-CH2 4.22Å; I2044-W2060 HydrophobicContact CG1-CZ3 4.41Å; I2044-W2060 HydrophobicContact CG2-CD2 3.93Å; I2044-W2060 HydrophobicContact CG2-CE3 3.96Å; I2044-W2060 HydrophobicContact CG2-CH2 3.65Å; I2044-W2060 HydrophobicContact CG2-CZ2 3.54Å; I2044-W2060 HydrophobicContact CG2-CZ3 3.85Å; N2045-W2060 WeakPolarHBondContact OD1-CZ2 3.41Å; N2045-W2060 PolarHBondContact OD1-NE1 2.92Å; L2052-W2060 HydrophobicContact CD1-CG 4.34Å; L2052-W2060 HydrophobicContact CD2-CB 4.21Å; L2052-W2060 HydrophobicContact CD2-CG 4.32Å; L2056-W2060 VanDerWaalsContact O-CB 3.29Å; L2056-W2060 WeakPolarHBondContact O-CB 3.46Å; L2056-W2060 PolarHBondContact O-N 2.93Å; Q2057-W2060 PolarHBondContact O-N 3.2Å; Y2058-W2060 VanDerWaalsContact C-N 3.29Å; Y2058-W2060 PolarHBondContact O-N 3.35Å; W2060-F2063 HydrophobicContact CE3-CD1 4.32Å; W2060-F2063 HydrophobicContact CH2-CD1 4.42Å; W2060-F2063 AromaticContact CZ3-CD1 3.71Å; W2060-F2063 HydrophobicContact CZ3-CD1 3.71Å; W2060-F2063 HydrophobicContact CZ3-CE1 4.29Å; W2060-F2063 PolarHBondContact O-N 3.16Å; W2060-C2064 VanDerWaalsContact CZ2-SG 3.58Å; W2060-C2064 WeakPolarHBondContact O-CB 3.49Å; W2060-C2064 PolarHBondContact O-N 3.38Å; W2060-C2064 PolarHBondContact O-SG 3.2Å; W2060-C2064 VanDerWaalsContact O-SG 3.35Å |
| 2061 | C | 91.5 | Very high | 88.5 | Confident | 74 Ų | 74 | 47.5 Ų | 47.5 | 50% | 0.5 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.2 | -50.5 | 176.3 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | Q2057 Y2058 F2063 C2064 S2065 | Q2057-C2061 VanDerWaalsContact O-CB 3.3Å; Q2057-C2061 WeakPolarHBondContact O-CB 3.33Å; Q2057-C2061 PolarHBondContact O-N 3.04Å; Y2058-C2061 PolarHBondContact O-N 3.17Å; C2061-F2063 VanDerWaalsContact C-N 3.35Å; C2061-F2063 PolarHBondContact O-N 2.94Å; C2061-C2064 PolarHBondContact O-N 3.06Å; C2061-S2065 WeakPolarHBondContact O-CB 3.41Å; C2061-S2065 PolarHBondContact O-N 2.99Å; C2061-S2065 PolarHBondContact O-OG 3.18Å; C2061-S2065 VanDerWaalsContact O-OG 3.05Å |
| 2062 | Q | 91.7 | Very high | 89.7 | Confident | 19 Ų | 19 | 44.6 Ų | 44.6 | 9% | 0.089 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.6 | -41 | 178.6 | -71.9 | -69.3 | 6.9 | 0 | 0 | 112.7 | I2000 L2021 L2025 Y2058 S2065 A2066 | I2000-Q2062 HydrophobicContact CD1-CB 4.19Å; L2021-Q2062 HydrophobicContact CD2-CG 4.44Å; L2025-Q2062 HydrophobicContact CD2-CB 4.5Å; Y2058-Q2062 HydrophobicContact CD1-CG 4.44Å; Y2058-Q2062 HydrophobicContact CD2-CG 4.42Å; Y2058-Q2062 HydrophobicContact CE1-CG 3.98Å; Y2058-Q2062 HydrophobicContact CE2-CG 3.96Å; Y2058-Q2062 WeakPolarHBondContact O-CG 3.49Å; Y2058-Q2062 PolarHBondContact O-N 3.14Å; Y2058-Q2062 PolarHBondContact OH-NE2 3.39Å; Q2062-S2065 PolarHBondContact O-N 3.42Å; Q2062-A2066 PolarHBondContact O-N 3.1Å |
| 2063 | F | 94.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.5 | -44 | 176.5 | -172 | -104.6 | 0 | 0 | 0 | 112.1 | L1980 L1983 L1996 I2029 L2037 I2041 I2059 W2060 C2061 A2066 V2067 | L1980-F2063 HydrophobicContact CD2-CE2 3.88Å; L1983-F2063 HydrophobicContact CD2-CE1 4.41Å; L1983-F2063 HydrophobicContact CD2-CZ 4.05Å; L1996-F2063 HydrophobicContact CD1-CB 4.39Å; L1996-F2063 HydrophobicContact CD1-CD1 3.78Å; L1996-F2063 HydrophobicContact CD1-CD2 4.44Å; L1996-F2063 HydrophobicContact CD1-CE1 4.1Å; L1996-F2063 HydrophobicContact CD1-CG 3.95Å; L1996-F2063 HydrophobicContact CD2-CD1 4.27Å; L1996-F2063 HydrophobicContact CD2-CD2 3.66Å; L1996-F2063 HydrophobicContact CD2-CE1 4.14Å; L1996-F2063 HydrophobicContact CD2-CE2 3.52Å; L1996-F2063 HydrophobicContact CD2-CG 4.03Å; L1996-F2063 HydrophobicContact CD2-CZ 3.77Å; I2029-F2063 HydrophobicContact CD1-CD2 3.78Å; I2029-F2063 HydrophobicContact CD1-CE2 3.56Å; I2029-F2063 HydrophobicContact CD1-CZ 4.41Å; I2029-F2063 HydrophobicContact CG1-CE2 4.01Å; L2037-F2063 HydrophobicContact CD1-CE1 3.9Å; L2037-F2063 HydrophobicContact CD1-CZ 3.59Å; I2041-F2063 HydrophobicContact CD1-CE1 4.07Å; I2041-F2063 HydrophobicContact CG1-CD1 4.49Å; I2041-F2063 HydrophobicContact CG1-CE1 3.95Å; I2059-F2063 WeakPolarHBondContact O-CB 3.44Å; I2059-F2063 PolarHBondContact O-N 3.03Å; W2060-F2063 HydrophobicContact CE3-CD1 4.32Å; W2060-F2063 HydrophobicContact CH2-CD1 4.42Å; W2060-F2063 AromaticContact CZ3-CD1 3.71Å; W2060-F2063 HydrophobicContact CZ3-CD1 3.71Å; W2060-F2063 HydrophobicContact CZ3-CE1 4.29Å; W2060-F2063 PolarHBondContact O-N 3.16Å; C2061-F2063 VanDerWaalsContact C-N 3.35Å; C2061-F2063 PolarHBondContact O-N 2.94Å; F2063-A2066 PolarHBondContact O-N 3.24Å; F2063-V2067 HydrophobicContact CE1-CG2 4.42Å; F2063-V2067 HydrophobicContact CZ-CG2 4.5Å; F2063-V2067 WeakPolarHBondContact O-CG2 3.36Å; F2063-V2067 PolarHBondContact O-N 3.02Å; F2063-V2067 VanDerWaalsContact O-N 3.12Å |
| 2064 | C | 93.3 | Very high | 90.6 | Very high | 38 Ų | 38 | 41.3 Ų | 41.3 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 174.4 | -71.3 | 0 | 0 | 0 | 0 | 112.4 | W2060 C2061 V2067 A2068 | W2060-C2064 VanDerWaalsContact CZ2-SG 3.58Å; W2060-C2064 WeakPolarHBondContact O-CB 3.49Å; W2060-C2064 PolarHBondContact O-N 3.38Å; W2060-C2064 PolarHBondContact O-SG 3.2Å; W2060-C2064 VanDerWaalsContact O-SG 3.35Å; C2061-C2064 PolarHBondContact O-N 3.06Å; C2064-V2067 PolarHBondContact O-N 3.39Å; C2064-A2068 VanDerWaalsContact O-CB 3.31Å; C2064-A2068 WeakPolarHBondContact O-CB 3.41Å; C2064-A2068 PolarHBondContact O-N 3.11Å |
| 2065 | S | 93.2 | Very high | 90.3 | Very high | 49 Ų | 49 | 44.2 Ų | 44.2 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 175.3 | -66 | 0 | 0 | 0 | 0 | 111.9 | C2061 Q2062 V2067 A2068 E2069 | C2061-S2065 WeakPolarHBondContact O-CB 3.41Å; C2061-S2065 PolarHBondContact O-N 2.99Å; C2061-S2065 PolarHBondContact O-OG 3.18Å; C2061-S2065 VanDerWaalsContact O-OG 3.05Å; Q2062-S2065 PolarHBondContact O-N 3.42Å; S2065-V2067 PolarHBondContact O-N 3.24Å; S2065-A2068 PolarHBondContact O-N 3Å; S2065-E2069 WeakPolarHBondContact O-CB 3.34Å; S2065-E2069 PolarHBondContact O-N 3Å |
| 2066 | A | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61 | -43.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | L2022 L2025 I2026 I2029 Q2062 F2063 E2069 I2070 | L2022-A2066 HydrophobicContact CD1-CB 3.84Å; L2025-A2066 HydrophobicContact CB-CB 4.47Å; L2025-A2066 HydrophobicContact CD2-CB 4.1Å; L2025-A2066 HydrophobicContact CG-CB 4Å; I2026-A2066 HydrophobicContact CG1-CB 3.76Å; I2029-A2066 HydrophobicContact CD1-CB 3.76Å; Q2062-A2066 PolarHBondContact O-N 3.1Å; F2063-A2066 PolarHBondContact O-N 3.24Å; A2066-E2069 PolarHBondContact O-N 3.38Å; A2066-I2070 VanDerWaalsContact O-CG1 3.27Å; A2066-I2070 WeakPolarHBondContact O-CG1 3.48Å; A2066-I2070 PolarHBondContact O-N 3.22Å |
| 2067 | V | 94.6 | Very high | 88.2 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.7 | -30.9 | 179.2 | 178.7 | 0 | 0 | 0 | 0 | 112.5 | F1945 I2029 L2037 L2038 I2041 F2063 C2064 S2065 R2071 | F1945-V2067 HydrophobicContact CE1-CG1 4.26Å; F1945-V2067 HydrophobicContact CZ-CG1 4.05Å; I2029-V2067 HydrophobicContact CD1-CG2 4.07Å; I2029-V2067 HydrophobicContact CG2-CG2 4.42Å; L2037-V2067 HydrophobicContact CD1-CG2 4.45Å; L2037-V2067 HydrophobicContact CD2-CG2 4.18Å; L2038-V2067 HydrophobicContact CD2-CG1 4.13Å; I2041-V2067 HydrophobicContact CD1-CB 4.11Å; I2041-V2067 HydrophobicContact CD1-CG1 3.78Å; I2041-V2067 HydrophobicContact CD1-CG2 3.99Å; F2063-V2067 HydrophobicContact CE1-CG2 4.42Å; F2063-V2067 HydrophobicContact CZ-CG2 4.5Å; F2063-V2067 WeakPolarHBondContact O-CG2 3.36Å; F2063-V2067 PolarHBondContact O-N 3.02Å; F2063-V2067 VanDerWaalsContact O-N 3.12Å; C2064-V2067 PolarHBondContact O-N 3.39Å; S2065-V2067 PolarHBondContact O-N 3.24Å; V2067-R2071 WeakPolarHBondContact O-CG 3.46Å; V2067-R2071 PolarHBondContact O-N 3.33Å; V2067-R2071 VanDerWaalsContact O-N 3.08Å |
| 2068 | A | 91.9 | Very high | 86.2 | Confident | 55 Ų | 55 | 48.8 Ų | 48.8 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66 | -41.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C2064 S2065 R2071 R2072 | C2064-A2068 VanDerWaalsContact O-CB 3.31Å; C2064-A2068 WeakPolarHBondContact O-CB 3.41Å; C2064-A2068 PolarHBondContact O-N 3.11Å; S2065-A2068 PolarHBondContact O-N 3Å; A2068-R2071 WeakPolarHBondContact O-CB 3.46Å; A2068-R2071 PolarHBondContact O-N 3.45Å; A2068-R2072 PolarHBondContact O-N 3.1Å |
| 2069 | E | 90.5 | Very high | 83.9 | Confident | 29 Ų | 29 | 51.1 Ų | 51.1 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.4 | -38.8 | 175.9 | -178.2 | 52.5 | -152.3 | 0 | 0 | 111.9 | F1181 I2026 S2065 A2066 R2071 R2072 L2073 | F1181-E2069 HydrophobicContact CD2-CG 4.45Å; F1181-E2069 WeakPolarHBondContact CD2-OE1 3.24Å; F1181-E2069 HydrophobicContact CE2-CG 4.27Å; I2026-E2069 HydrophobicContact CD1-CB 3.89Å; I2026-E2069 HydrophobicContact CD1-CG 3.62Å; S2065-E2069 WeakPolarHBondContact O-CB 3.34Å; S2065-E2069 PolarHBondContact O-N 3Å; A2066-E2069 PolarHBondContact O-N 3.38Å; E2069-R2071 VanDerWaalsContact C-N 3.32Å; E2069-R2071 PolarHBondContact O-N 3.17Å; E2069-R2072 WeakPolarHBondContact O-CA 3.28Å; E2069-R2072 WeakPolarHBondContact O-CB 3.28Å; E2069-R2072 PolarHBondContact O-N 3.05Å; E2069-R2072 VanDerWaalsContact O-N 3.08Å; E2069-R2072 IonicContact OE1-CZ 2.68Å; E2069-R2072 IonicContact OE1-NE 2.68Å; E2069-R2072 PolarHBondContact OE1-NE 3.45Å; E2069-R2072 IonicContact OE1-NH2 3.19Å; E2069-R2072 PolarHBondContact OE1-NH2 3.34Å; E2069-R2072 WeakPolarHBondContact OE2-CD 3.28Å; E2069-R2072 IonicContact OE2-CZ 2.89Å; E2069-R2072 IonicContact OE2-NE 3.44Å; E2069-R2072 PolarHBondContact OE2-NE 3.16Å; E2069-L2073 WeakPolarHBondContact O-CG 3.49Å; E2069-L2073 PolarHBondContact O-N 3.25Å |
| 2070 | I | 92.7 | Very high | 81.4 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.9 | -45.4 | 170.6 | -72.4 | 167 | 0 | 0 | 0 | 111.1 | F1945 L1949 L1952 I2026 I2029 I2030 A2066 R2072 L2073 M2074 | F1945-I2070 HydrophobicContact CE2-CG2 4.32Å; F1945-I2070 HydrophobicContact CZ-CG2 3.85Å; L1949-I2070 HydrophobicContact CD2-CG2 3.99Å; L1952-I2070 HydrophobicContact CD1-CG2 4.2Å; I2026-I2070 HydrophobicContact CG2-CD1 4.39Å; I2026-I2070 HydrophobicContact CG2-CG1 3.91Å; I2029-I2070 HydrophobicContact CB-CD1 3.83Å; I2029-I2070 HydrophobicContact CG2-CD1 3.56Å; I2030-I2070 HydrophobicContact CD1-CG1 4.25Å; I2030-I2070 HydrophobicContact CG1-CD1 3.94Å; I2030-I2070 HydrophobicContact CG1-CG1 4.06Å; A2066-I2070 VanDerWaalsContact O-CG1 3.27Å; A2066-I2070 WeakPolarHBondContact O-CG1 3.48Å; A2066-I2070 PolarHBondContact O-N 3.22Å; I2070-R2072 VanDerWaalsContact C-N 3.32Å; I2070-R2072 PolarHBondContact O-N 3.03Å; I2070-L2073 PolarHBondContact O-N 3.36Å; I2070-M2074 HydrophobicContact CG2-CE 3.61Å; I2070-M2074 HydrophobicContact CG2-SD 4.34Å; I2070-M2074 VanDerWaalsContact O-CG 3.31Å; I2070-M2074 WeakPolarHBondContact O-CG 3.31Å; I2070-M2074 PolarHBondContact O-N 3.19Å |
| 2071 | R | 90 | Very high | 78.5 | Confident | 115 Ų | 115 | 62.1 Ų | 62.1 | 43% | 0.434 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.1 | -35.9 | 174.4 | -72.3 | 167.9 | 171.9 | 177.1 | -6.2 | 112.7 | F1945 V2067 A2068 E2069 M2074 S2075 | F1945-R2071 HydrophobicContact CE2-CG 3.6Å; F1945-R2071 HydrophobicContact CZ-CG 4.04Å; V2067-R2071 WeakPolarHBondContact O-CG 3.46Å; V2067-R2071 PolarHBondContact O-N 3.33Å; V2067-R2071 VanDerWaalsContact O-N 3.08Å; A2068-R2071 WeakPolarHBondContact O-CB 3.46Å; A2068-R2071 PolarHBondContact O-N 3.45Å; E2069-R2071 VanDerWaalsContact C-N 3.32Å; E2069-R2071 PolarHBondContact O-N 3.17Å; R2071-M2074 PolarHBondContact O-N 3.23Å; R2071-S2075 WeakPolarHBondContact O-CB 3.25Å; R2071-S2075 PolarHBondContact O-N 3.31Å |
| 2072 | R | 88.2 | Confident | 75.7 | Confident | 78 Ų | 78 | 64 Ų | 64 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 174.8 | -165.7 | -161.9 | 67.8 | 89.6 | 15.9 | 111.2 | F1181 A2068 E2069 I2070 M2074 S2075 I2076 | F1181-R2072 PolarHBondContact O-NH2 3.03Å; A2068-R2072 PolarHBondContact O-N 3.1Å; E2069-R2072 WeakPolarHBondContact O-CA 3.28Å; E2069-R2072 WeakPolarHBondContact O-CB 3.28Å; E2069-R2072 PolarHBondContact O-N 3.05Å; E2069-R2072 VanDerWaalsContact O-N 3.08Å; E2069-R2072 IonicContact OE1-CZ 2.68Å; E2069-R2072 IonicContact OE1-NE 2.68Å; E2069-R2072 PolarHBondContact OE1-NE 3.45Å; E2069-R2072 IonicContact OE1-NH2 3.19Å; E2069-R2072 PolarHBondContact OE1-NH2 3.34Å; E2069-R2072 WeakPolarHBondContact OE2-CD 3.28Å; E2069-R2072 IonicContact OE2-CZ 2.89Å; E2069-R2072 IonicContact OE2-NE 3.44Å; E2069-R2072 PolarHBondContact OE2-NE 3.16Å; I2070-R2072 VanDerWaalsContact C-N 3.32Å; I2070-R2072 PolarHBondContact O-N 3.03Å; R2072-M2074 PolarHBondContact O-N 3.34Å; R2072-S2075 PolarHBondContact O-N 3.2Å; R2072-I2076 HydrophobicContact CG-CD1 3.88Å; R2072-I2076 WeakPolarHBondContact O-CG1 3.04Å; R2072-I2076 PolarHBondContact O-N 2.85Å; R2072-I2076 VanDerWaalsContact O-N 3.13Å |
| 2073 | L | 85.6 | Confident | 72.9 | Confident | 31 Ų | 31 | 70.7 Ų | 70.7 | 16% | 0.162 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 176.6 | -69.1 | 168.8 | 0 | 0 | 0 | 111.8 | L1961 E2069 I2070 I2076 R2077 | L1961-L2073 HydrophobicContact CD2-CD1 4.18Å; E2069-L2073 WeakPolarHBondContact O-CG 3.49Å; E2069-L2073 PolarHBondContact O-N 3.25Å; I2070-L2073 PolarHBondContact O-N 3.36Å; L2073-I2076 PolarHBondContact O-N 3.28Å; L2073-R2077 PolarHBondContact O-N 2.63Å |
| 2074 | M | 84.4 | Confident | 69.9 | Low | 29 Ų | 29 | 77.6 Ų | 77.6 | 14% | 0.143 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.1 | -48 | 172.6 | -64.5 | 171.3 | 175.4 | 0 | 0 | 111.6 | F1945 E1948 L1949 L1952 I2070 R2071 R2072 I2076 R2077 | F1945-M2074 HydrophobicContact CD2-CE 3.82Å; F1945-M2074 HydrophobicContact CD2-SD 3.71Å; F1945-M2074 HydrophobicContact CE2-CE 3.51Å; F1945-M2074 HydrophobicContact CE2-SD 3.39Å; F1945-M2074 WeakPolarHBondContact CE2-SD 3.41Å; F1945-M2074 HydrophobicContact CZ-CE 4.04Å; F1945-M2074 HydrophobicContact CZ-SD 4.38Å; E1948-M2074 HydrophobicContact CB-CE 3.87Å; E1948-M2074 HydrophobicContact CB-SD 4.16Å; E1948-M2074 HydrophobicContact CG-CB 4.24Å; E1948-M2074 HydrophobicContact CG-CE 3.67Å; E1948-M2074 HydrophobicContact CG-CG 3.55Å; E1948-M2074 HydrophobicContact CG-SD 3.61Å; L1949-M2074 HydrophobicContact CD2-CE 4.29Å; L1949-M2074 HydrophobicContact CG-CE 3.93Å; L1952-M2074 HydrophobicContact CD1-CE 3.68Å; L1952-M2074 HydrophobicContact CD1-CG 3.88Å; I2070-M2074 HydrophobicContact CG2-CE 3.61Å; I2070-M2074 HydrophobicContact CG2-SD 4.34Å; I2070-M2074 VanDerWaalsContact O-CG 3.31Å; I2070-M2074 WeakPolarHBondContact O-CG 3.31Å; I2070-M2074 PolarHBondContact O-N 3.19Å; R2071-M2074 PolarHBondContact O-N 3.23Å; R2072-M2074 PolarHBondContact O-N 3.34Å; M2074-I2076 PolarHBondContact O-N 2.77Å; M2074-R2077 WeakPolarHBondContact O-CB 3.5Å; M2074-R2077 PolarHBondContact O-N 3.43Å |
| 2075 | S | 80.2 | Confident | 67 | Low | 104 Ų | 104 | 82.3 Ų | 82.3 | 73% | 0.727 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -68 | -14.2 | -176.8 | -173.2 | 0 | 0 | 0 | 0 | 115.1 | R2071 R2072 | R2071-S2075 WeakPolarHBondContact O-CB 3.25Å; R2071-S2075 PolarHBondContact O-N 3.31Å; R2072-S2075 PolarHBondContact O-N 3.2Å |
| 2076 | I | 72.9 | Confident | 64 | Low | 105 Ų | 105 | 87.2 Ų | 87.2 | 54% | 0.538 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -96.4 | -16.5 | 178.7 | -72 | 169.4 | 0 | 0 | 0 | 111.6 | R2072 L2073 M2074 P2078 | R2072-I2076 HydrophobicContact CG-CD1 3.88Å; R2072-I2076 WeakPolarHBondContact O-CG1 3.04Å; R2072-I2076 PolarHBondContact O-N 2.85Å; R2072-I2076 VanDerWaalsContact O-N 3.13Å; L2073-I2076 PolarHBondContact O-N 3.28Å; M2074-I2076 PolarHBondContact O-N 2.77Å; I2076-P2078 WeakPolarHBondContact O-CD 3.49Å |
| 2077 | R | 60.4 | Low | 61 | Low | 78 Ų | 78 | 94.4 Ų | 94.4 | 29% | 0.294 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -68.8 | 122.7 | 173.9 | -156.8 | 170.4 | -161.9 | 155 | 7.1 | 108.3 | F1951 T1955 L2073 M2074 I2079 | F1951-R2077 VanDerWaalsContact CE1-NH1 3.25Å; F1951-R2077 VanDerWaalsContact CZ-CZ 3.42Å; T1955-R2077 PolarHBondContact OG1-NH1 3.45Å; T1955-R2077 VanDerWaalsContact OG1-NH1 3.12Å; T1955-R2077 PolarHBondContact OG1-NH2 3.36Å; L2073-R2077 PolarHBondContact O-N 2.63Å; M2074-R2077 WeakPolarHBondContact O-CB 3.5Å; M2074-R2077 PolarHBondContact O-N 3.43Å; R2077-I2079 PolarHBondContact O-N 3.15Å |
| 2078 | P | 47.4 | Very low | 57.9 | Low | 97 Ų | 97 | 100.8 Ų | 100.8 | 63% | 0.63 | 53% | 0.53 | S | S | * | . | trans | -60.9 | 134.9 | 170.1 | 26.7 | -32.9 | 0 | 0 | 0 | 108 | I2076 N2080 | I2076-P2078 WeakPolarHBondContact O-CD 3.49Å; P2078-N2080 VanDerWaalsContact C-N 3.29Å; P2078-N2080 PolarHBondContact O-N 3.22Å | ||
| 2079 | I | 40.8 | Very low | 54.8 | Low | 151 Ų | 151 | 105.2 Ų | 105.2 | 77% | 0.774 | 55% | 0.546 | S | S | * | . | trans | -68.6 | 96.7 | 168.6 | -58.1 | 174.9 | 0 | 0 | 0 | 105.8 | R2077 N2081 | R2077-I2079 PolarHBondContact O-N 3.15Å; I2079-N2081 WeakPolarHBondContact CG2-OD1 3.14Å; I2079-N2081 PolarHBondContact O-N 3.13Å | ||
| 2080 | N | 37.7 | Very low | 53 | Low | 122 Ų | 122 | 109.1 Ų | 109.1 | 65% | 0.652 | 57% | 0.567 | S | S | * | * | trans | -64.5 | 102.6 | 166.2 | -89.5 | 26.4 | 0 | 0 | 0 | 107.1 | P2078 N2082 | P2078-N2080 VanDerWaalsContact C-N 3.29Å; P2078-N2080 PolarHBondContact O-N 3.22Å; N2080-N2082 PolarHBondContact O-N 3.44Å | ||
| 2081 | N | 32.1 | Very low | 50.9 | Low | 127 Ų | 127 | 114.8 Ų | 114.8 | 68% | 0.679 | 60% | 0.596 | S | S | * | * | trans | -69.5 | 62.2 | 169.8 | -72.8 | -15.5 | 0 | 0 | 0 | 110.2 | I2079 H2083 | I2079-N2081 WeakPolarHBondContact CG2-OD1 3.14Å; I2079-N2081 PolarHBondContact O-N 3.13Å; N2081-H2083 PolarHBondContact O-N 3.37Å | ||
| 2082 | N | 34 | Very low | 48.7 | Very low | 115 Ų | 115 | 114.8 Ų | 114.8 | 62% | 0.615 | 61% | 0.605 | S | S | * | * | trans | -75.9 | 64 | 162.9 | -80.1 | 68.6 | 0 | 0 | 0 | 108.3 | N2080 | N2080-N2082 PolarHBondContact O-N 3.44Š| ||
| 2083 | H | 31.1 | Very low | 46.4 | Very low | 159 Ų | 159 | 116.9 Ų | 116.9 | 74% | 0.736 | 62% | 0.624 | S | S | * | * | trans | -100.8 | 3.6 | 172.4 | -123.8 | -27 | 0 | 0 | 0 | 112 | N2081 | N2081-H2083 PolarHBondContact O-N 3.37Š| ||
| 2084 | D | 32.9 | Very low | 44 | Very low | 146 Ų | 146 | 122.3 Ų | 122.3 | 78% | 0.781 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -90.6 | 1.4 | -174.7 | -64.7 | -34.8 | 0 | 0 | 0 | 114.3 | ||
| 2085 | D | 31.8 | Very low | 41.3 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -107.3 | 1.2 | -174.8 | -86.7 | -48.4 | 0 | 0 | 0 | 115.2 | ||
| 2086 | D | 30.5 | Very low | 38.5 | Very low | 152 Ų | 152 | 130.3 Ų | 130.3 | 81% | 0.813 | 68% | 0.684 | S | S | * | * | trans | -101.2 | 23 | 177.2 | -91.4 | -40 | 0 | 0 | 0 | 113.7 | N2088 | D2086-N2088 PolarHBondContact O-N 2.87Š| ||
| 2087 | N | 31.5 | Very low | 35.9 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 81% | 0.807 | 70% | 0.695 | S | S | * | * | trans | -96.5 | 50.2 | 174.6 | -117.3 | -23.2 | 0 | 0 | 0 | 111.9 | ||||
| 2088 | N | 28.8 | Very low | 33.8 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | trans | -167.1 | 99.2 | 165.3 | -102.1 | -50.9 | 0 | 0 | 0 | 113.8 | D2086 | D2086-N2088 PolarHBondContact O-N 2.87Š| ||
| 2089 | N | 27.2 | Very low | 32.6 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | 81.6 | 0 | 173.5 | -54.2 | -107.5 | 0 | 0 | 0 | 117.8 | R1040 | R1040-N2089 VanDerWaalsContact NE-CB 3.27Å; R1040-N2089 PolarHBondContact NH2-O 2.74Å |
Retrieved 2,089 of 2,089 residues in 768.5 ms
(Link to these results)