| 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 | 32.3 | Very low | 51.5 | Low | 255 Ų | 255 | 85.5 Ų | 85.5 | 100% | 1.256 | 45% | 0.447 | S | S | * | . | 0 | 113.4 | 0 | -71 | 180 | 176.1 | 0 | 0 | 107.1 | |||||
| 2 | G | 32.7 | Very low | 52.6 | Low | 59 Ų | 59 | 79.7 Ų | 79.7 | 61% | 0.608 | 42% | 0.417 | S | S | * | . | trans | 170.7 | -17.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 3 | N | 38.6 | Very low | 53.7 | Low | 97 Ų | 97 | 74 Ų | 74 | 52% | 0.519 | 39% | 0.387 | S | S | . | . | trans | -107.7 | -0.1 | -171.8 | -73.1 | 11.1 | 0 | 0 | 0 | 116.2 | G5 M6 E7 | N3-G5 VanDerWaalsContact C-N 3.34Å; N3-G5 PolarHBondContact O-N 3.5Å; N3-M6 WeakPolarHBondContact O-CB 3.25Å; N3-M6 PolarHBondContact O-N 3.06Å; N3-M6 WeakPolarHBondContact OD1-CE 3.3Å; N3-E7 PolarHBondContact O-N 2.92Å | ||
| 4 | R | 43.7 | Very low | 54.6 | Low | 214 Ų | 214 | 69.2 Ų | 69.2 | 81% | 0.808 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -57.5 | -43 | -178.9 | -95.6 | -176.9 | 172.5 | -179.7 | -3.6 | 113 | M6 E7 | R4-M6 PolarHBondContact O-N 3.37Å; R4-E7 PolarHBondContact O-N 3.37Å |
| 5 | G | 49.9 | Very low | 55.5 | Low | 20 Ų | 20 | 74.1 Ų | 74.1 | 21% | 0.206 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69.4 | -15 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N3 | N3-G5 VanDerWaalsContact C-N 3.34Å; N3-G5 PolarHBondContact O-N 3.5Å |
| 6 | M | 52.6 | Low | 56.2 | Low | 33 Ų | 33 | 69.6 Ų | 69.6 | 16% | 0.163 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -86.6 | -28.4 | 176.3 | -75.3 | -172.8 | -113.1 | 0 | 0 | 112.7 | N3 R4 D8 T286 | N3-M6 WeakPolarHBondContact O-CB 3.25Å; N3-M6 PolarHBondContact O-N 3.06Å; N3-M6 WeakPolarHBondContact OD1-CE 3.3Å; R4-M6 PolarHBondContact O-N 3.37Å; M6-D8 VanDerWaalsContact C-N 3.27Å; M6-D8 PolarHBondContact O-N 3.08Å; M6-T286 HydrophobicContact CB-CG2 3.71Å; M6-T286 HydrophobicContact CG-CG2 3.54Å; M6-T286 HydrophobicContact SD-CG2 3.82Å |
| 7 | E | 57.3 | Low | 56.7 | Low | 114 Ų | 114 | 67 Ų | 67 | 53% | 0.533 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.3 | -27.6 | 177.5 | -70.6 | 166.5 | -171.2 | 0 | 0 | 112 | N3 R4 P11 N131 | N3-E7 PolarHBondContact O-N 2.92Å; R4-E7 PolarHBondContact O-N 3.37Å; E7-P11 WeakPolarHBondContact O-CD 3.23Å; E7-N131 PolarHBondContact O-ND2 3.36Å |
| 8 | D | 62.2 | Low | 57.1 | Low | 108 Ų | 108 | 66.4 Ų | 66.4 | 58% | 0.578 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -82.3 | -17.3 | -178.7 | -66.9 | -29.8 | 0 | 0 | 0 | 114.3 | M6 I10 L12 | M6-D8 VanDerWaalsContact C-N 3.27Å; M6-D8 PolarHBondContact O-N 3.08Å; D8-I10 PolarHBondContact O-N 3.5Å; D8-L12 WeakPolarHBondContact O-CB 3.42Å; D8-L12 PolarHBondContact O-N 3.33Å |
| 9 | L | 64.3 | Low | 57.5 | Low | 7 Ų | 7 | 63.7 Ų | 63.7 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.5 | -36.8 | -176.8 | -79.7 | 173.5 | 0 | 0 | 0 | 113.1 | L12 V13 T286 L293 I746 T750 | L9-L12 WeakPolarHBondContact O-CB 3.41Å; L9-L12 PolarHBondContact O-N 3.41Å; L9-V13 WeakPolarHBondContact O-CG2 3.22Å; L9-V13 PolarHBondContact O-N 3.37Å; L9-T286 HydrophobicContact CD1-CG2 3.59Å; L9-L293 HydrophobicContact CD2-CD1 4.41Å; L9-I746 HydrophobicContact CD2-CB 4.5Å; L9-I746 HydrophobicContact CD2-CG1 4.44Å; L9-I746 HydrophobicContact CD2-CG2 3.35Å; L9-T750 HydrophobicContact CD1-CG2 4.22Å |
| 10 | I | 64.9 | Low | 57.7 | Low | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -77.9 | -45.6 | -173.8 | -60.4 | 172 | 0 | 0 | 0 | 111.5 | D8 L12 V13 N14 N131 L285 I289 | D8-I10 PolarHBondContact O-N 3.5Å; I10-L12 PolarHBondContact O-N 2.86Å; I10-L12 VanDerWaalsContact O-N 3.15Å; I10-V13 PolarHBondContact O-N 2.91Å; I10-N14 VanDerWaalsContact O-CG 3.26Å; I10-N14 PolarHBondContact O-N 2.99Å; I10-N14 PolarHBondContact O-ND2 3.49Å; I10-N131 HydrophobicContact CB-CB 3.71Å; I10-N131 HydrophobicContact CD1-CB 4.27Å; I10-N131 WeakPolarHBondContact CD1-O 3.28Å; I10-N131 HydrophobicContact CG2-CB 3.64Å; I10-L285 HydrophobicContact CD1-CD2 4.05Å; I10-L285 HydrophobicContact CG1-CD2 4.49Å; I10-I289 HydrophobicContact CG1-CD1 4.02Å |
| 11 | P | 67.7 | Low | 57.8 | Low | 30 Ų | 30 | 61.7 Ų | 61.7 | 20% | 0.195 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.5 | -29.5 | 168.6 | -26.8 | 35.2 | 0 | 0 | 0 | 113.5 | E7 R15 M74 N131 | E7-P11 WeakPolarHBondContact O-CD 3.23Å; P11-R15 WeakPolarHBondContact O-CG 3.33Å; P11-R15 PolarHBondContact O-N 2.99Å; P11-M74 HydrophobicContact CB-CE 4.46Å; P11-N131 WeakPolarHBondContact CG-ND2 3.14Å |
| 12 | L | 65.5 | Low | 58.9 | Low | 16 Ų | 16 | 53.5 Ų | 53.5 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -77.8 | -43 | 179.2 | -165.5 | 76.4 | 0 | 0 | 0 | 113 | D8 L9 I10 N14 R15 M16 I742 I746 | D8-L12 WeakPolarHBondContact O-CB 3.42Å; D8-L12 PolarHBondContact O-N 3.33Å; L9-L12 WeakPolarHBondContact O-CB 3.41Å; L9-L12 PolarHBondContact O-N 3.41Å; I10-L12 PolarHBondContact O-N 2.86Å; I10-L12 VanDerWaalsContact O-N 3.15Å; L12-N14 PolarHBondContact O-N 3.39Å; L12-R15 VanDerWaalsContact CD1-CZ 3.47Å; L12-R15 WeakPolarHBondContact O-CB 3.35Å; L12-R15 PolarHBondContact O-N 3.22Å; L12-R15 VanDerWaalsContact O-N 3.15Å; L12-M16 PolarHBondContact O-N 3.19Å; L12-I742 HydrophobicContact CD1-CG2 3.55Å; L12-I742 HydrophobicContact CD2-CG2 4.15Å; L12-I742 HydrophobicContact CG-CG2 3.54Å; L12-I746 HydrophobicContact CD2-CB 4.48Å; L12-I746 HydrophobicContact CD2-CD1 3.28Å; L12-I746 HydrophobicContact CD2-CG1 3.06Å; L12-I746 HydrophobicContact CG-CD1 4.33Å; L12-I746 HydrophobicContact CG-CG1 4.43Å |
| 13 | V | 66.3 | Low | 60 | Low | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59 | -38.9 | 169.7 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | L9 I10 M16 Q17 L31 I289 | L9-V13 WeakPolarHBondContact O-CG2 3.22Å; L9-V13 PolarHBondContact O-N 3.37Å; I10-V13 PolarHBondContact O-N 2.91Å; V13-M16 WeakPolarHBondContact O-CB 3.46Å; V13-M16 PolarHBondContact O-N 3.03Å; V13-Q17 WeakPolarHBondContact O-CG 3.36Å; V13-Q17 PolarHBondContact O-N 3.32Å; V13-L31 HydrophobicContact CG1-CD2 4.45Å; V13-I289 HydrophobicContact CG2-CD1 4.01Å; V13-I289 HydrophobicContact CG2-CG1 4.21Å; V13-I289 HydrophobicContact CG2-CG2 3.79Å |
| 14 | N | 66.6 | Low | 60.5 | Low | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 175.3 | -67.9 | -14.2 | 0 | 0 | 0 | 112 | I10 L12 M16 Q17 D18 M74 T133 | I10-N14 VanDerWaalsContact O-CG 3.26Å; I10-N14 PolarHBondContact O-N 2.99Å; I10-N14 PolarHBondContact O-ND2 3.49Å; L12-N14 PolarHBondContact O-N 3.39Å; N14-M16 VanDerWaalsContact C-N 3.3Å; N14-M16 PolarHBondContact O-N 3.45Å; N14-Q17 WeakPolarHBondContact O-CB 3.33Å; N14-Q17 PolarHBondContact O-N 2.99Å; N14-D18 VanDerWaalsContact O-CG 3.28Å; N14-D18 PolarHBondContact O-N 3.21Å; N14-M74 PolarHBondContact ND2-SD 3.4Å; N14-T133 PolarHBondContact OD1-OG1 3.1Å |
| 15 | R | 68.5 | Low | 60.6 | Low | 143 Ų | 143 | 45.4 Ų | 45.4 | 54% | 0.54 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.4 | -39 | 171.2 | -80.7 | -175.9 | -80.1 | 173.7 | -7.5 | 112.5 | P11 L12 D18 A19 | P11-R15 WeakPolarHBondContact O-CG 3.33Å; P11-R15 PolarHBondContact O-N 2.99Å; L12-R15 VanDerWaalsContact CD1-CZ 3.47Å; L12-R15 WeakPolarHBondContact O-CB 3.35Å; L12-R15 PolarHBondContact O-N 3.22Å; L12-R15 VanDerWaalsContact O-N 3.15Å; R15-D18 PolarHBondContact O-N 2.84Å; R15-A19 PolarHBondContact O-N 2.73Å |
| 16 | M | 65.6 | Low | 60.2 | Low | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.9 | -46.7 | 172.9 | -68.1 | -177.4 | 71 | 0 | 0 | 111.6 | L12 V13 N14 D18 A19 F20 L296 L300 A739 I742 I743 | L12-M16 PolarHBondContact O-N 3.19Å; V13-M16 WeakPolarHBondContact O-CB 3.46Å; V13-M16 PolarHBondContact O-N 3.03Å; N14-M16 VanDerWaalsContact C-N 3.3Å; N14-M16 PolarHBondContact O-N 3.45Å; M16-D18 PolarHBondContact O-N 3.01Å; M16-A19 PolarHBondContact O-N 2.78Å; M16-F20 HydrophobicContact CE-CE2 4.19Å; M16-F20 WeakPolarHBondContact O-CD2 3.43Å; M16-F20 PolarHBondContact O-N 3.21Å; M16-L296 HydrophobicContact CE-CD2 3.91Å; M16-L300 HydrophobicContact CE-CD1 3.98Å; M16-A739 HydrophobicContact CE-CB 4.19Å; M16-I742 HydrophobicContact CG-CB 4.27Å; M16-I742 HydrophobicContact CG-CD1 4.38Å; M16-I742 HydrophobicContact CG-CG2 3.48Å; M16-I742 VanDerWaalsContact CG-CG2 3.48Å; M16-I742 HydrophobicContact SD-CG2 3.97Å; M16-I743 HydrophobicContact CE-CD1 3.64Å; M16-I743 HydrophobicContact CE-CG1 3.71Å; M16-I743 HydrophobicContact SD-CD1 4.37Å; M16-I743 HydrophobicContact SD-CG1 3.8Å |
| 17 | Q | 64.6 | Low | 59.8 | Low | 25 Ų | 25 | 52.1 Ų | 52.1 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -52.9 | -41 | 175.1 | -74.3 | -177.1 | -13.6 | 0 | 0 | 111.5 | V13 N14 S21 L31 | V13-Q17 WeakPolarHBondContact O-CG 3.36Å; V13-Q17 PolarHBondContact O-N 3.32Å; N14-Q17 WeakPolarHBondContact O-CB 3.33Å; N14-Q17 PolarHBondContact O-N 2.99Å; Q17-S21 VanDerWaalsContact O-CB 3.26Å; Q17-S21 WeakPolarHBondContact O-CB 3.37Å; Q17-S21 PolarHBondContact O-N 2.84Å; Q17-S21 PolarHBondContact O-OG 2.9Å; Q17-L31 HydrophobicContact CB-CD1 4.29Å; Q17-L31 HydrophobicContact CG-CD1 3.28Å; Q17-L31 HydrophobicContact CG-CG 4.48Å |
| 18 | D | 65.5 | Low | 59.6 | Low | 56 Ų | 56 | 51.9 Ų | 51.9 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70.3 | -47.1 | -179.2 | -72 | 3.4 | 0 | 0 | 0 | 112.6 | N14 R15 M16 F20 S21 A22 R123 | N14-D18 VanDerWaalsContact O-CG 3.28Å; N14-D18 PolarHBondContact O-N 3.21Å; R15-D18 PolarHBondContact O-N 2.84Å; M16-D18 PolarHBondContact O-N 3.01Å; D18-F20 PolarHBondContact O-N 3Å; D18-S21 PolarHBondContact O-N 3.09Å; D18-A22 WeakPolarHBondContact O-CB 3.43Å; D18-A22 PolarHBondContact O-N 3.47Å; D18-R123 IonicContact OD1-CZ 3.74Å; D18-R123 IonicContact OD1-NH2 3.4Å; D18-R123 PolarHBondContact OD1-NH2 3.25Å; D18-R123 IonicContact OD2-CZ 3.23Å; D18-R123 IonicContact OD2-NH1 3.7Å; D18-R123 PolarHBondContact OD2-NH1 3.36Å; D18-R123 VanDerWaalsContact OD2-NH1 3.07Å; D18-R123 IonicContact OD2-NH2 3.73Å; D18-R123 PolarHBondContact OD2-NH2 3.17Å |
| 19 | A | 64.3 | Low | 59.3 | Low | 16 Ų | 16 | 47.6 Ų | 47.6 | 13% | 0.132 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55 | -44.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | R15 M16 I23 | R15-A19 PolarHBondContact O-N 2.73Å; M16-A19 PolarHBondContact O-N 2.78Å; A19-I23 WeakPolarHBondContact O-CD1 3.48Å; A19-I23 WeakPolarHBondContact O-CG1 3.48Å |
| 20 | F | 60.8 | Low | 59.1 | Low | 9 Ų | 9 | 49.3 Ų | 49.3 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -74.6 | -38.1 | -179.6 | -72.7 | -68.3 | 0 | 0 | 0 | 114.2 | M16 D18 A22 I23 A27 L29 L300 L736 A739 | M16-F20 HydrophobicContact CE-CE2 4.19Å; M16-F20 WeakPolarHBondContact O-CD2 3.43Å; M16-F20 PolarHBondContact O-N 3.21Å; D18-F20 PolarHBondContact O-N 3Å; F20-A22 VanDerWaalsContact C-N 3.27Å; F20-A22 PolarHBondContact O-N 3.28Å; F20-I23 HydrophobicContact CD1-CD1 4.08Å; F20-I23 PolarHBondContact O-N 3.31Å; F20-A27 HydrophobicContact CD1-CB 4.22Å; F20-L29 HydrophobicContact CB-CD1 3.61Å; F20-L29 HydrophobicContact CD1-CD1 3.28Å; F20-L29 HydrophobicContact CD2-CD1 3.08Å; F20-L29 HydrophobicContact CD2-CG 4.48Å; F20-L29 HydrophobicContact CE1-CD1 3.57Å; F20-L29 HydrophobicContact CE2-CD1 3.39Å; F20-L29 HydrophobicContact CE2-CD2 4.48Å; F20-L29 HydrophobicContact CG-CD1 3.01Å; F20-L29 HydrophobicContact CZ-CD1 3.62Å; F20-L29 HydrophobicContact CZ-CD2 4.38Å; F20-L300 HydrophobicContact CE1-CD2 4.35Å; F20-L300 HydrophobicContact CZ-CD1 4.37Å; F20-L300 HydrophobicContact CZ-CD2 3.69Å; F20-L736 HydrophobicContact CE1-CD2 4.11Å; F20-L736 HydrophobicContact CZ-CD2 4.38Å; F20-A739 HydrophobicContact CE1-CB 4.41Å; F20-A739 HydrophobicContact CE2-CB 3.43Å; F20-A739 VanDerWaalsContact CE2-CB 3.43Å; F20-A739 HydrophobicContact CZ-CB 3.31Å |
| 21 | S | 59.4 | Low | 59.1 | Low | 75 Ų | 75 | 49.9 Ų | 49.9 | 52% | 0.524 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.1 | -29.9 | 176.2 | -59 | 0 | 0 | 0 | 0 | 112.5 | Q17 D18 I23 G24 | Q17-S21 VanDerWaalsContact O-CB 3.26Å; Q17-S21 WeakPolarHBondContact O-CB 3.37Å; Q17-S21 PolarHBondContact O-N 2.84Å; Q17-S21 PolarHBondContact O-OG 2.9Å; D18-S21 PolarHBondContact O-N 3.09Å; S21-I23 VanDerWaalsContact C-N 3.28Å; S21-I23 PolarHBondContact O-N 3.4Å; S21-G24 PolarHBondContact O-N 2.79Å |
| 22 | A | 55.9 | Low | 59.2 | Low | 84 Ų | 84 | 48.8 Ų | 48.8 | 69% | 0.694 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -69.8 | -20.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | D18 F20 G24 | D18-A22 WeakPolarHBondContact O-CB 3.43Å; D18-A22 PolarHBondContact O-N 3.47Å; F20-A22 VanDerWaalsContact C-N 3.27Å; F20-A22 PolarHBondContact O-N 3.28Å; A22-G24 VanDerWaalsContact C-N 3.3Å |
| 23 | I | 56.4 | Low | 59.8 | Low | 38 Ų | 38 | 49.2 Ų | 49.2 | 20% | 0.195 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -3.6 | -177.3 | -51.9 | 143.9 | 0 | 0 | 0 | 111.3 | A19 F20 S21 Q25 R731 M732 A735 | A19-I23 WeakPolarHBondContact O-CD1 3.48Å; A19-I23 WeakPolarHBondContact O-CG1 3.48Å; F20-I23 HydrophobicContact CD1-CD1 4.08Å; F20-I23 PolarHBondContact O-N 3.31Å; S21-I23 VanDerWaalsContact C-N 3.28Å; S21-I23 PolarHBondContact O-N 3.4Å; I23-Q25 HydrophobicContact CG2-CG 4.43Å; I23-Q25 PolarHBondContact O-N 3.44Å; I23-R731 HydrophobicContact CG2-CB 4.29Å; I23-M732 HydrophobicContact CG2-CE 4.23Å; I23-A735 HydrophobicContact CD1-CB 2.98Å; I23-A735 HydrophobicContact CG1-CB 3.82Å |
| 24 | G | 48.4 | Very low | 60.9 | Low | 70 Ų | 70 | 49 Ų | 49 | 72% | 0.722 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | -0.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S21 A22 | S21-G24 PolarHBondContact O-N 2.79Å; A22-G24 VanDerWaalsContact C-N 3.3Å |
| 25 | Q | 47 | Very low | 62 | Low | 91 Ų | 91 | 48.7 Ų | 48.7 | 43% | 0.425 | 29% | 0.285 | S | S | . | . | trans | -82.4 | 122.9 | 166.5 | -66.9 | -155.7 | 5.6 | 0 | 0 | 108.6 | I23 A27 M732 | I23-Q25 HydrophobicContact CG2-CG 4.43Å; I23-Q25 PolarHBondContact O-N 3.44Å; Q25-A27 HydrophobicContact CB-CB 4.41Å; Q25-A27 PolarHBondContact O-N 2.95Å; Q25-M732 HydrophobicContact CB-CE 4.21Å; Q25-M732 HydrophobicContact CG-CE 3.82Å; Q25-M732 VanDerWaalsContact NE2-CE 3.28Å | ||
| 26 | N | 41.1 | Very low | 63.2 | Low | 164 Ų | 164 | 41.9 Ų | 41.9 | 88% | 0.877 | 26% | 0.259 | S | S | * | . | trans | -64.5 | 61.7 | 149.1 | -75.2 | -24.2 | 0 | 0 | 0 | 107.6 | N28 | N26-N28 VanDerWaalsContact C-N 3.3Å; N26-N28 PolarHBondContact O-N 2.91Å | ||
| 27 | A | 44.1 | Very low | 64.5 | Low | 30 Ų | 30 | 41.8 Ų | 41.8 | 25% | 0.248 | 26% | 0.259 | C | S | . | . | trans | -55 | 110 | 163.7 | 0 | 0 | 0 | 0 | 0 | 103.4 | F20 Q25 L29 | F20-A27 HydrophobicContact CD1-CB 4.22Å; Q25-A27 HydrophobicContact CB-CB 4.41Å; Q25-A27 PolarHBondContact O-N 2.95Å; A27-L29 HydrophobicContact CB-CD1 3.58Å; A27-L29 HydrophobicContact CB-CG 3.79Å; A27-L29 PolarHBondContact O-N 3.36Å | ||
| 28 | N | 51.7 | Low | 65.7 | Low | 110 Ų | 110 | 40.6 Ų | 40.6 | 59% | 0.588 | 25% | 0.254 | S | S | * | . | trans | -69.9 | 65 | 179.5 | -132.1 | -4.4 | 0 | 0 | 0 | 106.7 | N26 D30 K166 K299 | N26-N28 VanDerWaalsContact C-N 3.3Å; N26-N28 PolarHBondContact O-N 2.91Å; N28-D30 PolarHBondContact O-N 2.9Å; N28-K166 PolarHBondContact OD1-NZ 2.88Å; N28-K166 VanDerWaalsContact OD1-NZ 3.08Å; N28-K299 PolarHBondContact O-NZ 3.08Å | ||
| 29 | L | 55.8 | Low | 66.8 | Low | 17 Ų | 17 | 38.6 Ų | 38.6 | 9% | 0.089 | 25% | 0.246 | C | C | . | . | trans | -85.9 | 104.8 | 176.9 | -70.2 | 162 | 0 | 0 | 0 | 102.9 | F20 A27 L31 L296 L300 | F20-L29 HydrophobicContact CB-CD1 3.61Å; F20-L29 HydrophobicContact CD1-CD1 3.28Å; F20-L29 HydrophobicContact CD2-CD1 3.08Å; F20-L29 HydrophobicContact CD2-CG 4.48Å; F20-L29 HydrophobicContact CE1-CD1 3.57Å; F20-L29 HydrophobicContact CE2-CD1 3.39Å; F20-L29 HydrophobicContact CE2-CD2 4.48Å; F20-L29 HydrophobicContact CG-CD1 3.01Å; F20-L29 HydrophobicContact CZ-CD1 3.62Å; F20-L29 HydrophobicContact CZ-CD2 4.38Å; A27-L29 HydrophobicContact CB-CD1 3.58Å; A27-L29 HydrophobicContact CB-CG 3.79Å; A27-L29 PolarHBondContact O-N 3.36Å; L29-L31 HydrophobicContact CB-CD1 4.23Å; L29-L31 HydrophobicContact CB-CG 4.06Å; L29-L31 PolarHBondContact O-N 2.86Å; L29-L296 HydrophobicContact CD2-CD1 3.87Å; L29-L300 HydrophobicContact CD2-CD2 3.7Å | ||
| 30 | D | 61.7 | Low | 67.8 | Low | 43 Ų | 43 | 41.5 Ų | 41.5 | 23% | 0.23 | 26% | 0.257 | C | S | . | . | trans | -72.3 | 69.8 | 177.9 | -57.9 | -50.3 | 0 | 0 | 0 | 107.7 | N28 K166 N168 K299 | N28-D30 PolarHBondContact O-N 2.9Å; D30-K166 WeakPolarHBondContact OD1-CD 3.39Å; D30-K166 IonicContact OD1-NZ 2.6Å; D30-K166 PolarHBondContact OD1-NZ 2.89Å; D30-N168 HydrophobicContact CB-CB 4.19Å; D30-N168 VanDerWaalsContact O-CB 3.3Å; D30-N168 WeakPolarHBondContact O-CB 3.42Å; D30-N168 PolarHBondContact O-ND2 3.33Å; D30-K299 IonicContact OD2-NZ 3.84Å | ||
| 31 | L | 64.5 | Low | 68.9 | Low | 16 Ų | 16 | 45.2 Ų | 45.2 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | trans | -71.6 | 140.2 | 178.6 | -69.5 | 165.8 | 0 | 0 | 0 | 108 | V13 Q17 L29 Q33 L296 | V13-L31 HydrophobicContact CG1-CD2 4.45Å; Q17-L31 HydrophobicContact CB-CD1 4.29Å; Q17-L31 HydrophobicContact CG-CD1 3.28Å; Q17-L31 HydrophobicContact CG-CG 4.48Å; L29-L31 HydrophobicContact CB-CD1 4.23Å; L29-L31 HydrophobicContact CB-CG 4.06Å; L29-L31 PolarHBondContact O-N 2.86Å; L31-Q33 PolarHBondContact O-N 3.16Å; L31-L296 HydrophobicContact CD2-CD2 3.67Å | ||
| 32 | P | 69.6 | Low | 70.2 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 5% | 0.045 | 26% | 0.26 | C | S | . | . | trans | -56.9 | 121.2 | 178.2 | -27.7 | 37.2 | 0 | 0 | 0 | 111.3 | N168 L285 I289 T292 | P32-N168 WeakPolarHBondContact CA-O 3.35Å; P32-L285 HydrophobicContact CB-CD1 4.21Å; P32-I289 HydrophobicContact CB-CB 4.41Å; P32-I289 HydrophobicContact CB-CG1 3.46Å; P32-I289 VanDerWaalsContact CB-CG1 3.46Å; P32-I289 HydrophobicContact CG-CB 4.25Å; P32-I289 HydrophobicContact CG-CG1 3.71Å; P32-T292 WeakPolarHBondContact CG-OG1 3.42Å | ||
| 33 | Q | 78.8 | Confident | 71.7 | Confident | 25 Ų | 25 | 38.3 Ų | 38.3 | 12% | 0.117 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 159.2 | -178.5 | 64.1 | -177.5 | 1.8 | 0 | 0 | 110.9 | L31 V135 C169 L170 | L31-Q33 PolarHBondContact O-N 3.16Å; Q33-V135 HydrophobicContact CB-CG2 4.48Å; Q33-C169 HydrophobicContact CG-CB 4.41Å; Q33-L170 PolarHBondContact O-N 3.47Å |
| 34 | I | 88.1 | Confident | 73.2 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 113.6 | 174.6 | -54.9 | 174.7 | 0 | 0 | 0 | 108.6 | T133 L134 V135 L170 L172 L281 L285 | I34-T133 PolarHBondContact N-O 3.2Å; I34-L134 HydrophobicContact CB-CD2 3.92Å; I34-L134 HydrophobicContact CD1-CD2 4.22Å; I34-L134 HydrophobicContact CG2-CD2 3.85Å; I34-L134 CarbonylContact O-C 3.55Å; I34-L134 WeakPolarHBondContact O-CA 3.19Å; I34-V135 PolarHBondContact O-N 3.47Å; I34-L170 CarbonylContact C-O 3.39Å; I34-L170 WeakPolarHBondContact CA-O 3.42Å; I34-L170 HydrophobicContact CG1-CB 4.19Å; I34-L170 HydrophobicContact CG1-CD1 4.27Å; I34-L172 HydrophobicContact CG2-CB 4.01Å; I34-L281 HydrophobicContact CD1-CB 4.04Å; I34-L281 HydrophobicContact CD1-CD2 4.14Å; I34-L285 HydrophobicContact CD1-CB 4.27Å; I34-L285 HydrophobicContact CD1-CD2 4.29Å; I34-L285 HydrophobicContact CG1-CD1 4.29Å |
| 35 | A | 90.8 | Very high | 75.1 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 125.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L137 V164 C169 L170 L172 | A35-L137 HydrophobicContact CB-CD1 3.9Å; A35-V164 HydrophobicContact CB-CG1 4.15Å; A35-C169 WeakPolarHBondContact CB-SG 3.37Å; A35-L170 PolarHBondContact N-O 2.92Å; A35-L172 PolarHBondContact O-N 3.45Å |
| 36 | V | 92.8 | Very high | 77 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 116.2 | 176.5 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | K44 L48 L134 V135 L172 V174 | V36-K44 HydrophobicContact CG1-CB 3.98Å; V36-K44 HydrophobicContact CG1-CD 4.1Å; V36-K44 HydrophobicContact CG1-CG 3.94Å; V36-L48 HydrophobicContact CG2-CD2 4.05Å; V36-L134 HydrophobicContact CG2-CD2 4.39Å; V36-V135 PolarHBondContact N-O 2.82Å; V36-L172 HydrophobicContact CG1-CD2 4.41Å; V36-L172 HydrophobicContact CG2-CB 4.37Å; V36-L172 HydrophobicContact CG2-CD2 4.07Å; V36-V174 HydrophobicContact CG1-CG2 3.69Å |
| 37 | V | 92.8 | Very high | 79.2 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.9 | -175.5 | -173.3 | 0 | 0 | 0 | 0 | 109.5 | L137 M140 L160 V164 M171 L172 V174 | V37-L137 HydrophobicContact CG2-CD1 4.31Å; V37-M140 HydrophobicContact CG1-CE 4.12Å; V37-L160 HydrophobicContact CG1-CD1 4.29Å; V37-L160 HydrophobicContact CG1-CD2 4.39Å; V37-V164 HydrophobicContact CG2-CG1 3.74Å; V37-M171 HydrophobicContact CG2-CE 4.31Å; V37-L172 PolarHBondContact N-O 3.07Å; V37-V174 PolarHBondContact O-N 3.46Å |
| 38 | G | 91.3 | Very high | 81.3 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | trans | 172.4 | 161.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K44 G139 M140 | G38-K44 PolarHBondContact O-NZ 3.43Å; G38-G139 WeakPolarHBondContact O-CA 3.29Å; G38-M140 PolarHBondContact O-N 3.39Å | ||
| 39 | G | 88.6 | Confident | 82.9 | Confident | 14 Ų | 14 | 17.3 Ų | 17.3 | 14% | 0.144 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | -58.3 | 165.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S41 A42 K44 | G39-S41 PolarHBondContact O-N 3.33Å; G39-A42 VanDerWaalsContact O-CB 3.32Å; G39-A42 WeakPolarHBondContact O-CB 3.48Å; G39-A42 PolarHBondContact O-N 3.44Å; G39-K44 PolarHBondContact O-NZ 3.38Å |
| 40 | Q | 85.3 | Confident | 84.3 | Confident | 76 Ų | 76 | 17.1 Ų | 17.1 | 36% | 0.355 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 138.6 | 168.5 | -166.2 | -172.4 | -2.5 | 0 | 0 | 110.1 | A42 G62 M140 T141 | Q40-A42 PolarHBondContact O-N 3.11Å; Q40-G62 PolarHBondContact NE2-O 2.98Å; Q40-M140 PolarHBondContact N-O 3.22Å; Q40-T141 HydrophobicContact CB-CG2 4.12Å; Q40-T141 HydrophobicContact CG-CG2 4.4Å; Q40-T141 VanDerWaalsContact OE1-CG2 3.31Å |
| 41 | S | 83.9 | Confident | 85.2 | Confident | 87 Ų | 87 | 15.1 Ų | 15.1 | 61% | 0.608 | 9% | 0.094 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62 | 12.3 | 179.1 | -52.8 | 0 | 0 | 0 | 0 | 116.3 | G39 G43 K206 | G39-S41 PolarHBondContact O-N 3.33Å; S41-G43 PolarHBondContact O-N 3.24Å; S41-K206 WeakPolarHBondContact O-CE 3.31Å; S41-K206 PolarHBondContact O-NZ 3.06Å |
| 42 | A | 86.8 | Confident | 86.1 | Confident | 3 Ų | 3 | 14.5 Ų | 14.5 | 3% | 0.025 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -67.2 | -10 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G39 Q40 V174 T205 | G39-A42 VanDerWaalsContact O-CB 3.32Å; G39-A42 WeakPolarHBondContact O-CB 3.48Å; G39-A42 PolarHBondContact O-N 3.44Å; Q40-A42 PolarHBondContact O-N 3.11Å; A42-V174 HydrophobicContact CB-CG1 4.32Å; A42-V174 WeakPolarHBondContact O-CG1 3.35Å; A42-T205 WeakPolarHBondContact O-CG2 3.46Å; A42-T205 PolarHBondContact O-OG1 3.3Å |
| 43 | G | 86.3 | Confident | 86.5 | Confident | 12 Ų | 12 | 15.3 Ų | 15.3 | 12% | 0.124 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 93.7 | 19.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S41 S46 V47 | S41-G43 PolarHBondContact O-N 3.24Å; G43-S46 PolarHBondContact O-N 3.21Å; G43-V47 WeakPolarHBondContact O-CG2 3.46Å; G43-V47 PolarHBondContact O-N 3.45Å |
| 44 | K | 89 | Confident | 86.6 | Confident | 13 Ų | 13 | 18 Ų | 18 | 6% | 0.057 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -52.7 | -56.5 | 177.7 | -62.5 | -171.9 | -63.3 | -69.7 | 0 | 112.7 | V36 G38 G39 S46 V47 L48 L137 V174 | V36-K44 HydrophobicContact CG1-CB 3.98Å; V36-K44 HydrophobicContact CG1-CD 4.1Å; V36-K44 HydrophobicContact CG1-CG 3.94Å; G38-K44 PolarHBondContact O-NZ 3.43Å; G39-K44 PolarHBondContact O-NZ 3.38Å; K44-S46 VanDerWaalsContact C-N 3.27Å; K44-S46 PolarHBondContact O-N 2.98Å; K44-V47 WeakPolarHBondContact O-CB 3.42Å; K44-V47 PolarHBondContact O-N 2.96Å; K44-V47 VanDerWaalsContact O-N 3.1Å; K44-L48 PolarHBondContact O-N 2.94Å; K44-L48 VanDerWaalsContact O-N 3.11Å; K44-L137 WeakPolarHBondContact CE-O 3.18Å; K44-V174 HydrophobicContact CG-CB 4.18Å; K44-V174 HydrophobicContact CG-CG1 4.47Å; K44-V174 HydrophobicContact CG-CG2 4.32Å |
| 45 | S | 86.6 | Confident | 86.4 | Confident | 22 Ų | 22 | 19.7 Ų | 19.7 | 15% | 0.154 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.9 | -38.7 | -179.8 | -43.5 | 0 | 0 | 0 | 0 | 111.6 | V47 L48 E49 | S45-V47 PolarHBondContact O-N 2.94Å; S45-L48 PolarHBondContact O-N 3.01Å; S45-E49 WeakPolarHBondContact O-CB 3.44Å; S45-E49 VanDerWaalsContact O-CG 3.28Å; S45-E49 WeakPolarHBondContact O-CG 3.43Å; S45-E49 PolarHBondContact O-N 3.35Å |
| 46 | S | 87.4 | Confident | 86.3 | Confident | 23 Ų | 23 | 19.7 Ų | 19.7 | 16% | 0.161 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.5 | -36.8 | 176.5 | -52.9 | 0 | 0 | 0 | 0 | 113.3 | G43 K44 N50 N236 | G43-S46 PolarHBondContact O-N 3.21Å; K44-S46 VanDerWaalsContact C-N 3.27Å; K44-S46 PolarHBondContact O-N 2.98Å; S46-N50 WeakPolarHBondContact O-CB 3.44Å; S46-N50 PolarHBondContact O-N 3.14Å; S46-N50 PolarHBondContact O-ND2 3.04Å; S46-N50 PolarHBondContact O-OD1 3.19Å; S46-N236 WeakPolarHBondContact CB-ND2 3.5Å |
| 47 | V | 87.9 | Confident | 86.1 | Confident | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 174.1 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | G43 K44 S45 N50 F51 V203 T205 V234 L277 | G43-V47 WeakPolarHBondContact O-CG2 3.46Å; G43-V47 PolarHBondContact O-N 3.45Å; K44-V47 WeakPolarHBondContact O-CB 3.42Å; K44-V47 PolarHBondContact O-N 2.96Å; K44-V47 VanDerWaalsContact O-N 3.1Å; S45-V47 PolarHBondContact O-N 2.94Å; V47-N50 PolarHBondContact O-N 3.31Å; V47-F51 HydrophobicContact CG1-CE1 4.09Å; V47-F51 HydrophobicContact CG1-CE2 3.89Å; V47-F51 HydrophobicContact CG1-CZ 3.55Å; V47-F51 WeakPolarHBondContact O-CD1 3.49Å; V47-F51 WeakPolarHBondContact O-CG 3.22Å; V47-F51 PolarHBondContact O-N 2.85Å; V47-V203 HydrophobicContact CG2-CG1 4.34Å; V47-T205 HydrophobicContact CG2-CG2 4.03Å; V47-V234 HydrophobicContact CG2-CG2 4.06Å; V47-L277 HydrophobicContact CG1-CD2 3.94Å |
| 48 | L | 87.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.6 | -43 | 177.8 | -68 | 173.2 | 0 | 0 | 0 | 112.7 | V36 K44 S45 N50 F51 V52 L57 L134 D136 | V36-L48 HydrophobicContact CG2-CD2 4.05Å; K44-L48 PolarHBondContact O-N 2.94Å; K44-L48 VanDerWaalsContact O-N 3.11Å; S45-L48 PolarHBondContact O-N 3.01Å; L48-N50 VanDerWaalsContact C-N 3.34Å; L48-N50 PolarHBondContact O-N 3.45Å; L48-F51 HydrophobicContact CD2-CD2 4.34Å; L48-F51 WeakPolarHBondContact O-CB 3.26Å; L48-F51 PolarHBondContact O-N 3.02Å; L48-V52 PolarHBondContact O-N 3.04Å; L48-L57 HydrophobicContact CB-CD1 3.87Å; L48-L57 HydrophobicContact CD1-CD1 4.06Å; L48-L134 HydrophobicContact CD2-CB 3.98Å; L48-L134 HydrophobicContact CD2-CD1 3.79Å; L48-L134 HydrophobicContact CD2-CD2 4.22Å; L48-L134 HydrophobicContact CD2-CG 4.22Å; L48-D136 HydrophobicContact CD1-CB 3.49Å; L48-D136 VanDerWaalsContact CD1-CB 3.49Å; L48-D136 VanDerWaalsContact CD1-CG 3.5Å |
| 49 | E | 86.8 | Confident | 84.9 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.4 | -38.6 | 176.4 | -73.4 | 170 | 143.4 | 0 | 0 | 111.9 | S45 F51 V52 G53 K54 F56 L57 R59 | S45-E49 WeakPolarHBondContact O-CB 3.44Å; S45-E49 VanDerWaalsContact O-CG 3.28Å; S45-E49 WeakPolarHBondContact O-CG 3.43Å; S45-E49 PolarHBondContact O-N 3.35Å; E49-F51 PolarHBondContact O-N 3.04Å; E49-V52 PolarHBondContact O-N 3.44Å; E49-G53 WeakPolarHBondContact O-CA 3.31Å; E49-G53 PolarHBondContact O-N 2.87Å; E49-K54 WeakPolarHBondContact CB-O 3.33Å; E49-K54 PolarHBondContact O-N 3.07Å; E49-F56 HydrophobicContact CG-CD1 4.39Å; E49-F56 HydrophobicContact CG-CE1 4.23Å; E49-L57 HydrophobicContact CG-CB 4.33Å; E49-L57 HydrophobicContact CG-CD1 4.14Å; E49-L57 HydrophobicContact CG-CG 4.21Å; E49-L57 PolarHBondContact OE1-N 3.48Å; E49-R59 IonicContact OE1-CZ 2.79Å; E49-R59 IonicContact OE1-NE 3.69Å; E49-R59 IonicContact OE1-NH2 3.03Å; E49-R59 PolarHBondContact OE1-NH2 2.74Å; E49-R59 IonicContact OE2-CZ 2.65Å; E49-R59 VanDerWaalsContact OE2-CZ 3.28Å; E49-R59 IonicContact OE2-NH1 2.96Å; E49-R59 PolarHBondContact OE2-NH1 2.98Å; E49-R59 IonicContact OE2-NH2 3.95Å; E49-R59 PolarHBondContact OE2-NH2 3.27Å |
| 50 | N | 83.4 | Confident | 84 | Confident | 12 Ų | 12 | 26.3 Ų | 26.3 | 6% | 0.064 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.1 | -27 | 173.4 | -67.2 | -17.2 | 0 | 0 | 0 | 112 | S46 V47 L48 N236 T274 | S46-N50 WeakPolarHBondContact O-CB 3.44Å; S46-N50 PolarHBondContact O-N 3.14Å; S46-N50 PolarHBondContact O-ND2 3.04Å; S46-N50 PolarHBondContact O-OD1 3.19Å; V47-N50 PolarHBondContact O-N 3.31Å; L48-N50 VanDerWaalsContact C-N 3.34Å; L48-N50 PolarHBondContact O-N 3.45Å; N50-N236 PolarHBondContact ND2-OD1 3.27Å; N50-T274 HydrophobicContact CB-CG2 3.76Å |
| 51 | F | 81.9 | Confident | 82.9 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.1 | -35.3 | 175.3 | -63.3 | -22 | 0 | 0 | 0 | 113.4 | V47 L48 E49 L73 L134 T274 L277 Q278 L281 | V47-F51 HydrophobicContact CG1-CE1 4.09Å; V47-F51 HydrophobicContact CG1-CE2 3.89Å; V47-F51 HydrophobicContact CG1-CZ 3.55Å; V47-F51 WeakPolarHBondContact O-CD1 3.49Å; V47-F51 WeakPolarHBondContact O-CG 3.22Å; V47-F51 PolarHBondContact O-N 2.85Å; L48-F51 HydrophobicContact CD2-CD2 4.34Å; L48-F51 WeakPolarHBondContact O-CB 3.26Å; L48-F51 PolarHBondContact O-N 3.02Å; E49-F51 PolarHBondContact O-N 3.04Å; F51-L73 HydrophobicContact CB-CD1 4.21Å; F51-L134 HydrophobicContact CD2-CD1 3.76Å; F51-L134 HydrophobicContact CE2-CD1 4.26Å; F51-L134 HydrophobicContact CE2-CD2 4.39Å; F51-T274 HydrophobicContact CD1-CG2 3.86Å; F51-T274 HydrophobicContact CE1-CG2 3.95Å; F51-L277 HydrophobicContact CE1-CB 4.4Å; F51-L277 HydrophobicContact CE1-CD2 3.85Å; F51-L277 HydrophobicContact CE1-CG 3.98Å; F51-L277 HydrophobicContact CZ-CD2 3.59Å; F51-L277 HydrophobicContact CZ-CG 3.76Å; F51-Q278 VanDerWaalsContact CA-NE2 3.26Å; F51-Q278 HydrophobicContact CD1-CG 3.31Å; F51-Q278 HydrophobicContact CE1-CG 3.63Å; F51-Q278 HydrophobicContact CG-CG 4.1Å; F51-Q278 PolarHBondContact O-NE2 3.01Å; F51-Q278 VanDerWaalsContact O-NE2 3.09Å; F51-L281 HydrophobicContact CE1-CD1 4.48Å; F51-L281 HydrophobicContact CE2-CD1 3.62Å; F51-L281 HydrophobicContact CZ-CD1 3.44Å; F51-L281 VanDerWaalsContact CZ-CD1 3.44Å |
| 52 | V | 82 | Confident | 82.2 | Confident | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -84.4 | -27.9 | 178.2 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | L48 E49 K54 F56 L71 L73 F94 V124 | L48-V52 PolarHBondContact O-N 3.04Å; E49-V52 PolarHBondContact O-N 3.44Å; V52-K54 VanDerWaalsContact C-N 3.3Å; V52-K54 HydrophobicContact CG1-CB 4.19Å; V52-K54 HydrophobicContact CG1-CG 4.4Å; V52-F56 HydrophobicContact CB-CD1 4.23Å; V52-F56 HydrophobicContact CB-CE1 3.62Å; V52-F56 HydrophobicContact CB-CZ 4.47Å; V52-F56 HydrophobicContact CG1-CD1 4.18Å; V52-F56 HydrophobicContact CG1-CE1 3.97Å; V52-F56 HydrophobicContact CG2-CD1 4.37Å; V52-F56 HydrophobicContact CG2-CE1 3.39Å; V52-F56 HydrophobicContact CG2-CZ 3.76Å; V52-L71 HydrophobicContact CG2-CD2 4.29Å; V52-L73 HydrophobicContact CG2-CD1 4.27Å; V52-L73 HydrophobicContact CG2-CD2 3.56Å; V52-F94 HydrophobicContact CG1-CE1 4.14Å; V52-F94 HydrophobicContact CG1-CZ 4.48Å; V52-V124 HydrophobicContact CG1-CG1 3.93Å |
| 53 | G | 78.4 | Confident | 81.4 | Confident | 23 Ų | 23 | 25.5 Ų | 25.5 | 24% | 0.237 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 12.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E49 | E49-G53 WeakPolarHBondContact O-CA 3.31Å; E49-G53 PolarHBondContact O-N 2.87Å |
| 54 | K | 82.1 | Confident | 81 | Confident | 82 Ų | 82 | 27 Ų | 27 | 36% | 0.357 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -136.3 | 151.5 | -178.4 | -60.3 | -70.8 | -175.3 | 169.7 | 0 | 110.3 | E49 V52 F56 E79 F94 | E49-K54 WeakPolarHBondContact CB-O 3.33Å; E49-K54 PolarHBondContact O-N 3.07Å; V52-K54 VanDerWaalsContact C-N 3.3Å; V52-K54 HydrophobicContact CG1-CB 4.19Å; V52-K54 HydrophobicContact CG1-CG 4.4Å; K54-F56 WeakPolarHBondContact O-CD1 3.4Å; K54-E79 VanDerWaalsContact CE-OE2 3.23Å; K54-E79 WeakPolarHBondContact CE-OE2 3.42Å; K54-E79 IonicContact NZ-OE2 3.67Å; K54-E79 PolarHBondContact NZ-OE2 3.33Å; K54-F94 HydrophobicContact CB-CB 4.35Å; K54-F94 HydrophobicContact CB-CD1 4.17Å; K54-F94 HydrophobicContact CB-CD2 4.24Å; K54-F94 HydrophobicContact CB-CG 3.99Å; K54-F94 HydrophobicContact CD-CD2 4.32Å; K54-F94 HydrophobicContact CG-CD2 3.94Å; K54-F94 HydrophobicContact CG-CE2 4Å; K54-F94 HydrophobicContact CG-CG 4.22Å; K54-F94 HydrophobicContact CG-CZ 4.32Å |
| 55 | D | 83.3 | Confident | 80.7 | Confident | 36 Ų | 36 | 27.3 Ų | 27.3 | 19% | 0.193 | 17% | 0.174 | C | C | . | . | trans | -86.6 | 111.9 | 171.2 | -65.8 | -59.4 | 0 | 0 | 0 | 108.5 | R59 R98 R237 | D55-R59 IonicContact OD1-CZ 3.34Å; D55-R59 IonicContact OD1-NH2 2.74Å; D55-R59 PolarHBondContact OD1-NH2 2.81Å; D55-R98 VanDerWaalsContact C-NH2 3.33Å; D55-R98 PolarHBondContact O-NH2 3.45Å; D55-R237 VanDerWaalsContact CG-NH2 3.35Å; D55-R237 IonicContact OD1-CZ 3.44Å; D55-R237 IonicContact OD1-NH1 2.83Å; D55-R237 IonicContact OD1-NH2 3.33Å; D55-R237 PolarHBondContact OD1-NH2 2.97Å; D55-R237 IonicContact OD2-CZ 3.22Å; D55-R237 IonicContact OD2-NH1 3.37Å; D55-R237 PolarHBondContact OD2-NH1 3.46Å; D55-R237 IonicContact OD2-NH2 3.49Å; D55-R237 PolarHBondContact OD2-NH2 3.35Å | ||
| 56 | F | 87.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -142.7 | -8.4 | -178.3 | 69.9 | -85.7 | 0 | 0 | 0 | 113.2 | E49 V52 K54 L71 F94 V97 R98 I101 L122 | E49-F56 HydrophobicContact CG-CD1 4.39Å; E49-F56 HydrophobicContact CG-CE1 4.23Å; V52-F56 HydrophobicContact CB-CD1 4.23Å; V52-F56 HydrophobicContact CB-CE1 3.62Å; V52-F56 HydrophobicContact CB-CZ 4.47Å; V52-F56 HydrophobicContact CG1-CD1 4.18Å; V52-F56 HydrophobicContact CG1-CE1 3.97Å; V52-F56 HydrophobicContact CG2-CD1 4.37Å; V52-F56 HydrophobicContact CG2-CE1 3.39Å; V52-F56 HydrophobicContact CG2-CZ 3.76Å; K54-F56 WeakPolarHBondContact O-CD1 3.4Å; F56-L71 HydrophobicContact CE2-CD1 4.03Å; F56-L71 HydrophobicContact CE2-CD2 4.29Å; F56-L71 HydrophobicContact CZ-CD1 4.14Å; F56-L71 HydrophobicContact CZ-CD2 3.74Å; F56-F94 HydrophobicContact CB-CB 4.08Å; F56-F94 HydrophobicContact CB-CD1 3.68Å; F56-F94 HydrophobicContact CB-CG 4.36Å; F56-F94 HydrophobicContact CD1-CD1 4.41Å; F56-F94 HydrophobicContact CG-CD1 4.17Å; F56-V97 HydrophobicContact CB-CG1 4.24Å; F56-V97 HydrophobicContact CD2-CG1 4.33Å; F56-R98 VanDerWaalsContact O-CA 3.25Å; F56-R98 WeakPolarHBondContact O-CA 3.42Å; F56-R98 WeakPolarHBondContact O-CB 3.48Å; F56-I101 HydrophobicContact CD2-CD1 4.3Å; F56-L122 HydrophobicContact CD2-CD2 4.01Å; F56-L122 HydrophobicContact CE2-CD2 3.99Å | ||
| 57 | L | 88.6 | Confident | 80.6 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -85.9 | 146.9 | 175.1 | -65.4 | 177.1 | 0 | 0 | 0 | 109.4 | L48 E49 L69 R98 I101 | L48-L57 HydrophobicContact CB-CD1 3.87Å; L48-L57 HydrophobicContact CD1-CD1 4.06Å; E49-L57 HydrophobicContact CG-CB 4.33Å; E49-L57 HydrophobicContact CG-CD1 4.14Å; E49-L57 HydrophobicContact CG-CG 4.21Å; E49-L57 PolarHBondContact OE1-N 3.48Å; L57-L69 HydrophobicContact CD2-CD2 3.31Å; L57-R98 WeakPolarHBondContact O-CD 3.31Å; L57-R98 PolarHBondContact O-NE 3.24Å; L57-I101 HydrophobicContact CD2-CD1 4.42Å |
| 58 | P | 83.8 | Confident | 80.7 | Confident | 17 Ų | 17 | 27.2 Ų | 27.2 | 11% | 0.11 | 17% | 0.167 | C | C | . | . | trans | -54.8 | 152.5 | 174 | -26.6 | 36.1 | 0 | 0 | 0 | 111.4 | V64 I101 E102 | P58-V64 VanDerWaalsContact C-CG1 3.42Å; P58-V64 HydrophobicContact CB-CG1 3.82Å; P58-V64 WeakPolarHBondContact O-CG1 3.34Å; P58-I101 HydrophobicContact CG-CB 4.3Å; P58-I101 HydrophobicContact CG-CG2 3.76Å; P58-E102 HydrophobicContact CB-CG 3.82Å; P58-E102 WeakPolarHBondContact CB-OE1 3.47Å; P58-E102 HydrophobicContact CG-CG 3.67Å | ||
| 59 | R | 75.6 | Confident | 80.8 | Confident | 77 Ų | 77 | 27.4 Ų | 27.4 | 29% | 0.291 | 17% | 0.168 | S | C | . | . | trans | -134.4 | 134.8 | 175.2 | -63 | -176.5 | -177.3 | -80.9 | 5 | 109.7 | E49 D55 | E49-R59 IonicContact OE1-CZ 2.79Å; E49-R59 IonicContact OE1-NE 3.69Å; E49-R59 IonicContact OE1-NH2 3.03Å; E49-R59 PolarHBondContact OE1-NH2 2.74Å; E49-R59 IonicContact OE2-CZ 2.65Å; E49-R59 VanDerWaalsContact OE2-CZ 3.28Å; E49-R59 IonicContact OE2-NH1 2.96Å; E49-R59 PolarHBondContact OE2-NH1 2.98Å; E49-R59 IonicContact OE2-NH2 3.95Å; E49-R59 PolarHBondContact OE2-NH2 3.27Å; D55-R59 IonicContact OD1-CZ 3.34Å; D55-R59 IonicContact OD1-NH2 2.74Å; D55-R59 PolarHBondContact OD1-NH2 2.81Å | ||
| 60 | G | 69.3 | Low | 80.9 | Confident | 58 Ų | 58 | 28.1 Ų | 28.1 | 60% | 0.598 | 17% | 0.172 | S | C | * | . | trans | -179.6 | 174.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V64 | G60-V64 VanDerWaalsContact O-CG2 3.24Å; G60-V64 WeakPolarHBondContact O-CG2 3.4Å | ||
| 61 | S | 63.3 | Low | 81.1 | Confident | 121 Ų | 121 | 27.6 Ų | 27.6 | 85% | 0.846 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -84.1 | 134.4 | 171.2 | 57.5 | 0 | 0 | 0 | 0 | 110.5 | ||
| 62 | G | 69 | Low | 81.3 | Confident | 12 Ų | 12 | 27.9 Ų | 27.9 | 12% | 0.124 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 100.1 | -161.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q40 V64 | Q40-G62 PolarHBondContact NE2-O 2.98Å; G62-V64 PolarHBondContact O-N 3.04Å |
| 63 | I | 70.2 | Confident | 81.4 | Confident | 16 Ų | 16 | 27.8 Ų | 27.8 | 8% | 0.082 | 17% | 0.17 | C | C | . | . | trans | -73.6 | 106.6 | 176.9 | -60 | 175.8 | 0 | 0 | 0 | 108.2 | T65 R66 T141 I152 I156 | I63-T65 WeakPolarHBondContact CG2-O 3.39Å; I63-R66 HydrophobicContact CB-CG 4.46Å; I63-R66 HydrophobicContact CG2-CG 3.98Å; I63-T141 HydrophobicContact CD1-CG2 4.03Å; I63-T141 HydrophobicContact CG1-CG2 3.68Å; I63-I152 HydrophobicContact CD1-CD1 4.47Å; I63-I152 HydrophobicContact CD1-CG1 4Å; I63-I156 HydrophobicContact CD1-CD1 3.63Å | ||
| 64 | V | 76.7 | Confident | 81.6 | Confident | 44 Ų | 44 | 28.3 Ų | 28.3 | 27% | 0.267 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -78.4 | -53.4 | -178.5 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | P58 G60 G62 R66 | P58-V64 VanDerWaalsContact C-CG1 3.42Å; P58-V64 HydrophobicContact CB-CG1 3.82Å; P58-V64 WeakPolarHBondContact O-CG1 3.34Å; G60-V64 VanDerWaalsContact O-CG2 3.24Å; G60-V64 WeakPolarHBondContact O-CG2 3.4Å; G62-V64 PolarHBondContact O-N 3.04Å; V64-R66 PolarHBondContact O-N 3.36Å |
| 65 | T | 82.4 | Confident | 81.5 | Confident | 18 Ų | 18 | 28.4 Ų | 28.4 | 11% | 0.11 | 17% | 0.171 | C | C | . | . | trans | -83.7 | 100.3 | 173.4 | -49.5 | 0 | 0 | 0 | 0 | 109.5 | I63 R67 D136 P138 | I63-T65 WeakPolarHBondContact CG2-O 3.39Å; T65-R67 WeakPolarHBondContact CG2-O 3.17Å; T65-D136 WeakPolarHBondContact CG2-OD2 3.48Å; T65-D136 PolarHBondContact OG1-OD2 2.93Å; T65-P138 WeakPolarHBondContact O-CA 3.38Å; T65-P138 VanDerWaalsContact O-CB 3.23Å; T65-P138 WeakPolarHBondContact O-CB 3.47Å; T65-P138 WeakPolarHBondContact O-CG 3.39Å | ||
| 66 | R | 86 | Confident | 81.5 | Confident | 36 Ų | 36 | 27.6 Ų | 27.6 | 14% | 0.136 | 17% | 0.168 | C | C | . | . | trans | -96.3 | -14.1 | 180 | -72.4 | 179 | -73.9 | 158.2 | -3.1 | 114.3 | I63 V64 T105 D106 G110 G114 I115 S116 | I63-R66 HydrophobicContact CB-CG 4.46Å; I63-R66 HydrophobicContact CG2-CG 3.98Å; V64-R66 PolarHBondContact O-N 3.36Å; R66-T105 HydrophobicContact CB-CG2 3.79Å; R66-D106 IonicContact CZ-OD1 2.88Å; R66-D106 IonicContact NH1-OD1 2.74Å; R66-D106 PolarHBondContact NH1-OD1 2.82Å; R66-D106 IonicContact NH2-OD1 3.73Å; R66-D106 PolarHBondContact NH2-OD1 3.38Å; R66-D106 IonicContact NH2-OD2 3.86Å; R66-G110 PolarHBondContact NH1-O 3.05Å; R66-G114 WeakPolarHBondContact CB-O 3.26Å; R66-G114 WeakPolarHBondContact CD-O 3.38Å; R66-I115 HydrophobicContact CB-CG2 4.39Å; R66-I115 HydrophobicContact CG-CG2 4.5Å; R66-I115 WeakPolarHBondContact O-CA 3.28Å; R66-I115 WeakPolarHBondContact O-CB 3.32Å; R66-S116 PolarHBondContact O-N 3.44Å; R66-S116 VanDerWaalsContact O-N 3.12Å | ||
| 67 | R | 87.7 | Confident | 81.3 | Confident | 9 Ų | 9 | 33.5 Ų | 33.5 | 3% | 0.034 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -130.5 | 144.8 | 174.5 | -71.5 | 175.6 | 65.8 | -169.3 | -5.5 | 108.6 | T65 L69 E104 T105 I108 T109 V118 P119 I120 | T65-R67 WeakPolarHBondContact CG2-O 3.17Å; R67-L69 PolarHBondContact O-N 3.1Å; R67-E104 IonicContact CZ-OE1 2.58Å; R67-E104 PolarHBondContact NH1-O 2.92Å; R67-E104 IonicContact NH1-OE1 3.29Å; R67-E104 PolarHBondContact NH1-OE1 3.33Å; R67-E104 IonicContact NH2-OE1 3.54Å; R67-T105 HydrophobicContact CG-CG2 4.29Å; R67-I108 VanDerWaalsContact NH1-CG1 3.31Å; R67-T109 HydrophobicContact CG-CG2 4.02Å; R67-V118 PolarHBondContact NE-O 2.66Å; R67-V118 PolarHBondContact NH2-O 3.47Å; R67-V118 VanDerWaalsContact NH2-O 3.1Å; R67-P119 PolarHBondContact NH2-O 3.02Å; R67-P119 VanDerWaalsContact NH2-O 3.16Å; R67-I120 HydrophobicContact CB-CD1 4.33Å; R67-I120 HydrophobicContact CB-CG1 4.42Å; R67-I120 VanDerWaalsContact CZ-CG1 3.49Å |
| 68 | P | 89.1 | Confident | 81.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -54.9 | 132.8 | 170.9 | -26.2 | 35.7 | 0 | 0 | 0 | 111 | S116 P119 I120 V135 D136 L137 M159 F163 | P68-S116 WeakPolarHBondContact CD-O 3.39Å; P68-P119 HydrophobicContact CB-CB 4.2Å; P68-P119 CarbonylContact O-C 3.57Å; P68-P119 WeakPolarHBondContact O-CA 3.44Å; P68-I120 PolarHBondContact O-N 2.92Å; P68-V135 HydrophobicContact CB-CG1 4.45Å; P68-D136 CarbonylContact C-O 3.59Å; P68-D136 WeakPolarHBondContact CA-O 3.5Å; P68-L137 HydrophobicContact CB-CD2 3.96Å; P68-L137 HydrophobicContact CG-CD2 4.15Å; P68-M159 HydrophobicContact CG-CG 4.25Å; P68-M159 HydrophobicContact CG-SD 3.68Å; P68-F163 HydrophobicContact CB-CE2 4.26Å; P68-F163 HydrophobicContact CB-CZ 3.95Å; P68-F163 HydrophobicContact CG-CE2 3.92Å; P68-F163 HydrophobicContact CG-CZ 4.03Å | ||
| 69 | L | 90.6 | Very high | 81.5 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 111.7 | 175 | -178.4 | 72.7 | 0 | 0 | 0 | 109.1 | L57 R67 L71 I101 I120 L122 V135 D136 | L57-L69 HydrophobicContact CD2-CD2 3.31Å; R67-L69 PolarHBondContact O-N 3.1Å; L69-L71 PolarHBondContact O-N 3.42Å; L69-I101 HydrophobicContact CD2-CD1 4.37Å; L69-I120 HydrophobicContact CD1-CB 3.81Å; L69-I120 HydrophobicContact CD1-CG2 3.79Å; L69-L122 HydrophobicContact CD1-CB 4.11Å; L69-V135 CarbonylContact O-C 3.55Å; L69-V135 WeakPolarHBondContact O-CA 3.22Å; L69-D136 HydrophobicContact CB-CB 4.13Å; L69-D136 PolarHBondContact N-O 2.75Å; L69-D136 PolarHBondContact O-N 3.3Å |
| 70 | V | 88 | Confident | 82.3 | Confident | 15 Ų | 15 | 37.4 Ų | 37.4 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 102.5 | 172.3 | -178.1 | 0 | 0 | 0 | 0 | 107.7 | P119 I120 N121 L122 T133 V135 | V70-P119 HydrophobicContact CG2-CB 3.89Å; V70-I120 PolarHBondContact N-O 3.14Å; V70-N121 VanDerWaalsContact CB-OD1 3.27Å; V70-N121 WeakPolarHBondContact CB-OD1 3.38Å; V70-L122 PolarHBondContact O-N 3.31Å; V70-T133 HydrophobicContact CG1-CG2 4.2Å; V70-V135 HydrophobicContact CG2-CG1 4.41Å; V70-V135 HydrophobicContact CG2-CG2 4.32Å |
| 71 | L | 88.1 | Confident | 83.4 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 112.9 | -178.9 | -179 | 65.8 | 0 | 0 | 0 | 110 | V52 F56 L69 L73 L122 V124 T133 L134 | V52-L71 HydrophobicContact CG2-CD2 4.29Å; F56-L71 HydrophobicContact CE2-CD1 4.03Å; F56-L71 HydrophobicContact CE2-CD2 4.29Å; F56-L71 HydrophobicContact CZ-CD1 4.14Å; F56-L71 HydrophobicContact CZ-CD2 3.74Å; L69-L71 PolarHBondContact O-N 3.42Å; L71-L73 HydrophobicContact CD1-CD2 3.99Å; L71-L73 HydrophobicContact CD2-CD2 3.94Å; L71-L73 HydrophobicContact CD2-CG 4.44Å; L71-L73 HydrophobicContact CG-CD2 3.77Å; L71-L73 HydrophobicContact CG-CG 4.28Å; L71-L122 WeakPolarHBondContact CA-O 3.27Å; L71-L122 HydrophobicContact CD1-CB 4.41Å; L71-L122 HydrophobicContact CD1-CD2 3.91Å; L71-L122 HydrophobicContact CD1-CG 4.02Å; L71-V124 HydrophobicContact CD1-CG2 3.76Å; L71-T133 WeakPolarHBondContact O-CA 3.48Å; L71-L134 HydrophobicContact CB-CB 4.46Å; L71-L134 PolarHBondContact N-O 3Å; L71-L134 PolarHBondContact O-N 2.77Å |
| 72 | Q | 85.9 | Confident | 84.8 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 104.8 | 175.1 | -70.8 | 176.7 | -19.4 | 0 | 0 | 109.2 | L122 R123 V124 T133 | Q72-L122 PolarHBondContact N-O 3.01Å; Q72-R123 HydrophobicContact CB-CG 4.02Å; Q72-R123 CarbonylContact O-C 3.56Å; Q72-R123 WeakPolarHBondContact O-CA 3.33Å; Q72-R123 VanDerWaalsContact OE1-CG 3.26Å; Q72-V124 PolarHBondContact O-N 3.14Å; Q72-T133 HydrophobicContact CG-CG2 4.04Å |
| 73 | L | 83.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 128.4 | 172.8 | -55.5 | -174.9 | 0 | 0 | 0 | 109 | F51 V52 L71 V124 V129 L130 N131 L132 L134 | F51-L73 HydrophobicContact CB-CD1 4.21Å; V52-L73 HydrophobicContact CG2-CD1 4.27Å; V52-L73 HydrophobicContact CG2-CD2 3.56Å; L71-L73 HydrophobicContact CD1-CD2 3.99Å; L71-L73 HydrophobicContact CD2-CD2 3.94Å; L71-L73 HydrophobicContact CD2-CG 4.44Å; L71-L73 HydrophobicContact CG-CD2 3.77Å; L71-L73 HydrophobicContact CG-CG 4.28Å; L73-V124 HydrophobicContact CD2-CB 3.91Å; L73-V124 HydrophobicContact CD2-CG2 4.4Å; L73-V129 HydrophobicContact CB-CB 4.22Å; L73-V129 HydrophobicContact CB-CG2 4.04Å; L73-V129 HydrophobicContact CD1-CB 4.41Å; L73-L130 WeakPolarHBondContact CB-O 3.37Å; L73-N131 VanDerWaalsContact O-CA 3.25Å; L73-N131 WeakPolarHBondContact O-CA 3.37Å; L73-L132 HydrophobicContact CB-CB 4.32Å; L73-L132 HydrophobicContact CD1-CB 4.41Å; L73-L132 PolarHBondContact N-O 2.77Å; L73-L132 PolarHBondContact O-N 3.28Å; L73-L134 HydrophobicContact CD1-CD1 4.12Å |
| 74 | M | 81.7 | Confident | 86.4 | Confident | 34 Ų | 34 | 32.8 Ų | 32.8 | 17% | 0.167 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 121.1 | -177.5 | -64.5 | -69.7 | -70.3 | 0 | 0 | 109 | P11 N14 S76 V124 Y125 S126 N131 | P11-M74 HydrophobicContact CB-CE 4.46Å; N14-M74 PolarHBondContact ND2-SD 3.4Å; M74-S76 PolarHBondContact O-N 2.64Å; M74-V124 PolarHBondContact N-O 3.27Å; M74-Y125 HydrophobicContact CB-CD1 3.56Å; M74-Y125 HydrophobicContact CB-CE1 3.76Å; M74-Y125 HydrophobicContact CB-CG 4.26Å; M74-Y125 HydrophobicContact CG-CD1 4.25Å; M74-Y125 HydrophobicContact CG-CE1 3.96Å; M74-Y125 VanDerWaalsContact O-CA 3.29Å; M74-Y125 WeakPolarHBondContact O-CA 3.19Å; M74-S126 PolarHBondContact O-N 3.14Å; M74-N131 WeakPolarHBondContact CA-OD1 3.38Å |
| 75 | N | 81.3 | Confident | 86.6 | Confident | 84 Ų | 84 | 33.9 Ų | 33.9 | 45% | 0.449 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 121.2 | 173.5 | -167 | -61.4 | 0 | 0 | 0 | 109.2 | S126 V129 N131 | N75-S126 WeakPolarHBondContact CA-O 3.23Å; N75-V129 WeakPolarHBondContact CB-O 3.46Å; N75-V129 PolarHBondContact ND2-O 2.98Å; N75-N131 PolarHBondContact N-OD1 2.64Å |
| 76 | S | 82.1 | Confident | 86.8 | Confident | 19 Ų | 19 | 34.8 Ų | 34.8 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | trans | -149.5 | 145.6 | -178.3 | -171.7 | 0 | 0 | 0 | 0 | 110.4 | M74 T78 S126 P127 | M74-S76 PolarHBondContact O-N 2.64Å; S76-T78 PolarHBondContact O-N 3.14Å; S76-T78 PolarHBondContact OG-OG1 3.4Å; S76-S126 PolarHBondContact N-O 3.2Å; S76-S126 VanDerWaalsContact N-O 3.09Å; S76-S126 CarbonylContact O-C 3.57Å; S76-P127 WeakPolarHBondContact O-CA 3.48Å; S76-P127 WeakPolarHBondContact O-CB 3.46Å; S76-P127 VanDerWaalsContact O-CD 3.28Å; S76-P127 WeakPolarHBondContact O-CD 3.31Å | ||
| 77 | P | 84.3 | Confident | 86.4 | Confident | 124 Ų | 124 | 40.5 Ų | 40.5 | 81% | 0.805 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -63.4 | -21.3 | 175.2 | 25.7 | -35.2 | 0 | 0 | 0 | 113.4 | ||
| 78 | T | 87.3 | Confident | 86 | Confident | 81 Ų | 81 | 43.2 Ų | 43.2 | 50% | 0.497 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -107.4 | 129.7 | 179.9 | 49.3 | 0 | 0 | 0 | 0 | 111.1 | S76 | S76-T78 PolarHBondContact O-N 3.14Å; S76-T78 PolarHBondContact OG-OG1 3.4Å |
| 79 | E | 88.9 | Confident | 86.1 | Confident | 65 Ų | 65 | 48.1 Ų | 48.1 | 30% | 0.304 | 27% | 0.265 | S | S | . | . | trans | -89.3 | 116.5 | 178.6 | -173 | 163.9 | -101.8 | 0 | 0 | 111.5 | K54 F94 Y125 S126 | K54-E79 VanDerWaalsContact CE-OE2 3.23Å; K54-E79 WeakPolarHBondContact CE-OE2 3.42Å; K54-E79 IonicContact NZ-OE2 3.67Å; K54-E79 PolarHBondContact NZ-OE2 3.33Å; E79-F94 HydrophobicContact CG-CE2 4.06Å; E79-F94 HydrophobicContact CG-CZ 4.37Å; E79-Y125 CarbonylContact C-O 3.46Å; E79-Y125 WeakPolarHBondContact CA-O 3.24Å; E79-S126 WeakPolarHBondContact OE1-CB 3.33Å; E79-S126 PolarHBondContact OE1-OG 3.5Å | ||
| 80 | Y | 92.6 | Very high | 86.2 | Confident | 32 Ų | 32 | 54.3 Ų | 54.3 | 13% | 0.125 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 166.2 | 174.2 | 69.4 | -79 | 0 | 0 | 0 | 111.1 | K90 F91 Y125 | Y80-K90 HydrophobicContact CD2-CB 3.98Å; Y80-K90 HydrophobicContact CD2-CD 3.88Å; Y80-K90 HydrophobicContact CD2-CG 3.77Å; Y80-K90 HydrophobicContact CE2-CD 3.93Å; Y80-K90 HydrophobicContact CE2-CG 3.97Å; Y80-K90 HydrophobicContact CG-CD 4.37Å; Y80-F91 CarbonylContact C-O 3.39Å; Y80-F91 WeakPolarHBondContact CA-O 3.33Å; Y80-Y125 HydrophobicContact CD1-CD2 4.23Å; Y80-Y125 HydrophobicContact CD1-CG 4.18Å; Y80-Y125 AromaticContact CD2-CD2 3.85Å; Y80-Y125 HydrophobicContact CD2-CD2 3.85Å; Y80-Y125 HydrophobicContact CD2-CE2 4.44Å; Y80-Y125 HydrophobicContact CE1-CD1 4.25Å; Y80-Y125 AromaticContact CE1-CD2 3.73Å; Y80-Y125 HydrophobicContact CE1-CD2 3.73Å; Y80-Y125 AromaticContact CE1-CG 3.57Å; Y80-Y125 HydrophobicContact CE1-CG 3.57Å; Y80-Y125 AromaticContact CE2-CD2 3.32Å; Y80-Y125 HydrophobicContact CE2-CD2 3.32Å; Y80-Y125 AromaticContact CE2-CE2 3.6Å; Y80-Y125 HydrophobicContact CE2-CE2 3.6Å; Y80-Y125 HydrophobicContact CE2-CG 4.06Å; Y80-Y125 HydrophobicContact CG-CD2 4.28Å; Y80-Y125 AromaticContact CZ-CD2 3.24Å; Y80-Y125 AromaticContact CZ-CE2 3.63Å; Y80-Y125 AromaticContact CZ-CG 3.5Å; Y80-Y125 PolarHBondContact N-O 3Å; Y80-Y125 PolarHBondContact O-N 3.03Å; Y80-Y125 WeakPolarHBondContact OH-CE2 3.42Å |
| 81 | A | 92.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 154.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | F91 V97 L122 R123 V124 | A81-F91 HydrophobicContact CB-CB 4.33Å; A81-F91 PolarHBondContact N-O 3.26Å; A81-F91 PolarHBondContact O-N 2.82Å; A81-V97 HydrophobicContact CB-CG2 3.83Å; A81-L122 HydrophobicContact CB-CD1 3.98Å; A81-R123 CarbonylContact C-O 3.1Å; A81-R123 WeakPolarHBondContact CA-O 3.48Å; A81-R123 WeakPolarHBondContact CB-O 3.46Å; A81-V124 HydrophobicContact CB-CG2 4.23Å |
| 82 | E | 92.1 | Very high | 86.6 | Confident | 39 Ų | 39 | 58.9 Ų | 58.9 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 137.1 | 177.4 | -178 | 175.2 | -169.8 | 0 | 0 | 110.4 | G88 R123 | E82-G88 PolarHBondContact OE1-N 2.85Å; E82-R123 PolarHBondContact N-O 3.46Å; E82-R123 PolarHBondContact O-N 3.48Å |
| 83 | F | 89.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 62 Ų | 62 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 146.1 | 175.3 | -71.2 | -87.6 | 0 | 0 | 0 | 111.8 | H85 C86 K87 F91 V97 E100 I101 I120 L122 | F83-H85 VanDerWaalsContact C-N 3.27Å; F83-H85 VanDerWaalsContact CB-CE1 3.44Å; F83-H85 WeakPolarHBondContact CB-CE1 3.25Å; F83-H85 AromaticContact CD1-CE1 3.41Å; F83-H85 VanDerWaalsContact CD1-CE1 3.41Å; F83-H85 WeakPolarHBondContact CD1-CE1 3.15Å; F83-H85 AromaticContact CD1-ND1 4Å; F83-H85 AromaticContact CG-CE1 3.51Å; F83-H85 PolarHBondContact O-N 2.88Å; F83-C86 HydrophobicContact CB-CB 4.23Å; F83-C86 CarbonylContact O-C 3.55Å; F83-C86 PolarHBondContact O-N 3.02Å; F83-C86 VanDerWaalsContact O-N 3.16Å; F83-K87 PolarHBondContact O-N 3.42Å; F83-F91 HydrophobicContact CD2-CD2 4.05Å; F83-F91 AromaticContact CD2-CE2 3.6Å; F83-F91 HydrophobicContact CD2-CE2 3.6Å; F83-F91 AromaticContact CD2-CZ 3.95Å; F83-F91 HydrophobicContact CD2-CZ 3.95Å; F83-F91 HydrophobicContact CE2-CD2 4.33Å; F83-F91 HydrophobicContact CE2-CE2 4.11Å; F83-F91 HydrophobicContact CE2-CZ 4.19Å; F83-V97 HydrophobicContact CE2-CG1 4.1Å; F83-V97 HydrophobicContact CZ-CG1 3.8Å; F83-E100 HydrophobicContact CD2-CG 3.79Å; F83-E100 HydrophobicContact CE1-CG 4.45Å; F83-E100 HydrophobicContact CE2-CB 3.83Å; F83-E100 HydrophobicContact CE2-CG 3.47Å; F83-E100 VanDerWaalsContact CE2-CG 3.47Å; F83-E100 HydrophobicContact CG-CG 4.41Å; F83-E100 HydrophobicContact CZ-CB 4.06Å; F83-E100 HydrophobicContact CZ-CG 3.83Å; F83-I101 HydrophobicContact CE1-CG1 3.79Å; F83-I101 HydrophobicContact CZ-CD1 4.42Å; F83-I101 HydrophobicContact CZ-CG1 3.73Å; F83-I120 HydrophobicContact CD1-CG2 3.97Å; F83-I120 HydrophobicContact CE1-CG2 3.97Å; F83-L122 HydrophobicContact CD1-CB 4.19Å; F83-L122 HydrophobicContact CD1-CD1 3.99Å; F83-L122 HydrophobicContact CD2-CD1 4.21Å; F83-L122 HydrophobicContact CE1-CB 4.03Å; F83-L122 HydrophobicContact CE1-CD1 3.74Å; F83-L122 HydrophobicContact CE1-CD2 4.31Å; F83-L122 HydrophobicContact CE1-CG 4.24Å; F83-L122 HydrophobicContact CE2-CD1 3.96Å; F83-L122 HydrophobicContact CG-CD1 4.23Å; F83-L122 HydrophobicContact CZ-CD1 3.72Å; F83-L122 HydrophobicContact CZ-CD2 4.37Å |
| 84 | L | 84 | Confident | 87.1 | Confident | 71 Ų | 71 | 62.5 Ų | 62.5 | 37% | 0.372 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -64.3 | -30.9 | 177 | -171.7 | 69.5 | 0 | 0 | 0 | 113 | K87 N121 | L84-K87 VanDerWaalsContact CD1-CE 3.49Å; L84-K87 VanDerWaalsContact O-CG 3.23Å; L84-K87 WeakPolarHBondContact O-CG 3.27Å; L84-N121 HydrophobicContact CB-CB 3.67Å; L84-N121 HydrophobicContact CD2-CB 4.06Å; L84-N121 WeakPolarHBondContact CD2-ND2 3.18Å; L84-N121 HydrophobicContact CG-CB 4.5Å; L84-N121 PolarHBondContact N-O 3.23Å; L84-N121 VanDerWaalsContact N-O 3.13Å |
| 85 | H | 81.8 | Confident | 87.4 | Confident | 66 Ų | 66 | 64.1 Ų | 64.1 | 31% | 0.306 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -82.9 | -11.8 | 178.1 | 63.5 | -82.7 | 0 | 0 | 0 | 113.7 | F83 E100 E104 | F83-H85 VanDerWaalsContact C-N 3.27Å; F83-H85 VanDerWaalsContact CB-CE1 3.44Å; F83-H85 WeakPolarHBondContact CB-CE1 3.25Å; F83-H85 AromaticContact CD1-CE1 3.41Å; F83-H85 VanDerWaalsContact CD1-CE1 3.41Å; F83-H85 WeakPolarHBondContact CD1-CE1 3.15Å; F83-H85 AromaticContact CD1-ND1 4Å; F83-H85 AromaticContact CG-CE1 3.51Å; F83-H85 PolarHBondContact O-N 2.88Å; H85-E100 IonicContact CD2-OE1 3.71Å; H85-E100 IonicContact CE1-OE1 3.07Å; H85-E100 IonicContact NE2-OE1 3.91Å; H85-E100 PolarHBondContact NE2-OE1 3.44Å; H85-E104 IonicContact CD2-OE2 3.38Å; H85-E104 IonicContact NE2-OE2 2.99Å |
| 86 | C | 85 | Confident | 87.9 | Confident | 37 Ų | 37 | 64.3 Ų | 64.3 | 25% | 0.25 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -123.5 | 48.8 | 178.6 | -71 | 0 | 0 | 0 | 0 | 111.1 | F83 G88 K89 | F83-C86 HydrophobicContact CB-CB 4.23Å; F83-C86 CarbonylContact O-C 3.55Å; F83-C86 PolarHBondContact O-N 3.02Å; F83-C86 VanDerWaalsContact O-N 3.16Å; C86-G88 PolarHBondContact O-N 3.49Å; C86-K89 PolarHBondContact O-N 2.91Å; C86-K89 VanDerWaalsContact O-N 3.15Å |
| 87 | K | 77.5 | Confident | 88.4 | Confident | 157 Ų | 157 | 63.4 Ų | 63.4 | 68% | 0.683 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 132.5 | -176.3 | -63.1 | -169.9 | 177.1 | 179.3 | 0 | 111.7 | F83 L84 K89 | F83-K87 PolarHBondContact O-N 3.42Å; L84-K87 VanDerWaalsContact CD1-CE 3.49Å; L84-K87 VanDerWaalsContact O-CG 3.23Å; L84-K87 WeakPolarHBondContact O-CG 3.27Å; K87-K89 VanDerWaalsContact C-N 3.35Å |
| 88 | G | 80.3 | Confident | 88.7 | Confident | 65 Ų | 65 | 59.9 Ų | 59.9 | 67% | 0.67 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | -11.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E82 C86 | E82-G88 PolarHBondContact OE1-N 2.85Å; C86-G88 PolarHBondContact O-N 3.49Å |
| 89 | K | 91.1 | Very high | 88.9 | Confident | 104 Ų | 104 | 62 Ų | 62 | 45% | 0.452 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 116.5 | 171.4 | -174.1 | 179.9 | 173.8 | -170 | 0 | 109.8 | C86 K87 F91 | C86-K89 PolarHBondContact O-N 2.91Å; C86-K89 VanDerWaalsContact O-N 3.15Å; K87-K89 VanDerWaalsContact C-N 3.35Å; K89-F91 HydrophobicContact CB-CE2 4.23Å; K89-F91 HydrophobicContact CD-CE1 4.22Å; K89-F91 HydrophobicContact CD-CE2 3.87Å; K89-F91 HydrophobicContact CD-CZ 3.64Å; K89-F91 HydrophobicContact CG-CD2 4.38Å; K89-F91 HydrophobicContact CG-CE2 3.91Å; K89-F91 HydrophobicContact CG-CZ 4.2Å |
| 90 | K | 92.6 | Very high | 89.1 | Confident | 135 Ų | 135 | 60.8 Ų | 60.8 | 59% | 0.587 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -93.2 | 122.4 | 174.6 | -63.3 | -174.6 | 178.7 | -176.2 | 0 | 110.1 | Y80 | Y80-K90 HydrophobicContact CD2-CB 3.98Å; Y80-K90 HydrophobicContact CD2-CD 3.88Å; Y80-K90 HydrophobicContact CD2-CG 3.77Å; Y80-K90 HydrophobicContact CE2-CD 3.93Å; Y80-K90 HydrophobicContact CE2-CG 3.97Å; Y80-K90 HydrophobicContact CG-CD 4.37Å |
| 91 | F | 93.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.009 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -93.8 | 119.9 | 175.6 | -64.7 | -102.2 | 0 | 0 | 0 | 109 | Y80 A81 F83 K89 E96 V97 E100 | Y80-F91 CarbonylContact C-O 3.39Å; Y80-F91 WeakPolarHBondContact CA-O 3.33Å; A81-F91 HydrophobicContact CB-CB 4.33Å; A81-F91 PolarHBondContact N-O 3.26Å; A81-F91 PolarHBondContact O-N 2.82Å; F83-F91 HydrophobicContact CD2-CD2 4.05Å; F83-F91 AromaticContact CD2-CE2 3.6Å; F83-F91 HydrophobicContact CD2-CE2 3.6Å; F83-F91 AromaticContact CD2-CZ 3.95Å; F83-F91 HydrophobicContact CD2-CZ 3.95Å; F83-F91 HydrophobicContact CE2-CD2 4.33Å; F83-F91 HydrophobicContact CE2-CE2 4.11Å; F83-F91 HydrophobicContact CE2-CZ 4.19Å; K89-F91 HydrophobicContact CB-CE2 4.23Å; K89-F91 HydrophobicContact CD-CE1 4.22Å; K89-F91 HydrophobicContact CD-CE2 3.87Å; K89-F91 HydrophobicContact CD-CZ 3.64Å; K89-F91 HydrophobicContact CG-CD2 4.38Å; K89-F91 HydrophobicContact CG-CE2 3.91Å; K89-F91 HydrophobicContact CG-CZ 4.2Å; F91-E96 HydrophobicContact CD1-CB 4.01Å; F91-V97 HydrophobicContact CB-CG2 3.6Å; F91-V97 HydrophobicContact CD1-CG2 4.36Å; F91-V97 HydrophobicContact CG-CG2 4.13Å; F91-E100 HydrophobicContact CE1-CB 4.25Å; F91-E100 HydrophobicContact CE1-CG 4.35Å; F91-E100 HydrophobicContact CZ-CB 4.49Å; F91-E100 HydrophobicContact CZ-CG 4.09Å |
| 92 | T | 91.6 | Very high | 89 | Confident | 111 Ų | 111 | 63 Ų | 63 | 68% | 0.681 | 32% | 0.321 | S | S | * | . | trans | -101.5 | -21.2 | 175.1 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 93 | D | 90.7 | Very high | 88.9 | Confident | 73 Ų | 73 | 63.8 Ų | 63.8 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | trans | -97.9 | 121.4 | 173.3 | -170.2 | -10.7 | 0 | 0 | 0 | 110.1 | D95 E96 V97 | D93-D95 VanDerWaalsContact C-N 3.3Å; D93-D95 WeakPolarHBondContact OD1-CB 3.48Å; D93-D95 PolarHBondContact OD1-N 2.97Å; D93-E96 HydrophobicContact CB-CB 4.41Å; D93-E96 HydrophobicContact CB-CG 4.02Å; D93-E96 WeakPolarHBondContact O-CB 3.46Å; D93-E96 PolarHBondContact O-N 3.13Å; D93-V97 PolarHBondContact O-N 3.38Å | ||
| 94 | F | 88.5 | Confident | 88.9 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 6% | 0.057 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -78 | -14.6 | -179.7 | -77.5 | -92.1 | 0 | 0 | 0 | 113.1 | V52 K54 F56 E79 V97 R98 V124 | V52-F94 HydrophobicContact CG1-CE1 4.14Å; V52-F94 HydrophobicContact CG1-CZ 4.48Å; K54-F94 HydrophobicContact CB-CB 4.35Å; K54-F94 HydrophobicContact CB-CD1 4.17Å; K54-F94 HydrophobicContact CB-CD2 4.24Å; K54-F94 HydrophobicContact CB-CG 3.99Å; K54-F94 HydrophobicContact CD-CD2 4.32Å; K54-F94 HydrophobicContact CG-CD2 3.94Å; K54-F94 HydrophobicContact CG-CE2 4Å; K54-F94 HydrophobicContact CG-CG 4.22Å; K54-F94 HydrophobicContact CG-CZ 4.32Å; F56-F94 HydrophobicContact CB-CB 4.08Å; F56-F94 HydrophobicContact CB-CD1 3.68Å; F56-F94 HydrophobicContact CB-CG 4.36Å; F56-F94 HydrophobicContact CD1-CD1 4.41Å; F56-F94 HydrophobicContact CG-CD1 4.17Å; E79-F94 HydrophobicContact CG-CE2 4.06Å; E79-F94 HydrophobicContact CG-CZ 4.37Å; F94-V97 HydrophobicContact CD1-CG2 4.32Å; F94-V97 PolarHBondContact O-N 2.66Å; F94-R98 PolarHBondContact O-N 2.76Å; F94-V124 HydrophobicContact CE1-CG1 3.81Å; F94-V124 HydrophobicContact CE1-CG2 4.3Å; F94-V124 HydrophobicContact CZ-CG1 3.79Å |
| 95 | D | 88.4 | Confident | 89.1 | Confident | 67 Ų | 67 | 61.4 Ų | 61.4 | 36% | 0.358 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.9 | -35.5 | 167.5 | -74.1 | -33.7 | 0 | 0 | 0 | 110.7 | D93 R98 Q99 | D93-D95 VanDerWaalsContact C-N 3.3Å; D93-D95 WeakPolarHBondContact OD1-CB 3.48Å; D93-D95 PolarHBondContact OD1-N 2.97Å; D95-R98 WeakPolarHBondContact O-CB 3.43Å; D95-R98 PolarHBondContact O-N 2.99Å; D95-R98 IonicContact OD1-CZ 2.73Å; D95-R98 IonicContact OD1-NH1 3.83Å; D95-R98 PolarHBondContact OD1-NH1 3.38Å; D95-R98 IonicContact OD1-NH2 3.68Å; D95-R98 PolarHBondContact OD1-NH2 3.14Å; D95-Q99 WeakPolarHBondContact O-CG 3.47Å; D95-Q99 PolarHBondContact O-N 3.14Å |
| 96 | E | 91.8 | Very high | 89.4 | Confident | 89 Ų | 89 | 61.3 Ų | 61.3 | 42% | 0.416 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 171 | -66.9 | -176.6 | -173.9 | 0 | 0 | 111.8 | F91 D93 R98 Q99 E100 | F91-E96 HydrophobicContact CD1-CB 4.01Å; D93-E96 HydrophobicContact CB-CB 4.41Å; D93-E96 HydrophobicContact CB-CG 4.02Å; D93-E96 WeakPolarHBondContact O-CB 3.46Å; D93-E96 PolarHBondContact O-N 3.13Å; E96-R98 VanDerWaalsContact C-N 3.28Å; E96-R98 PolarHBondContact O-N 3.39Å; E96-Q99 PolarHBondContact O-N 3.18Å; E96-E100 VanDerWaalsContact O-CB 3.31Å; E96-E100 WeakPolarHBondContact O-CB 3.48Å; E96-E100 PolarHBondContact O-N 2.93Å |
| 97 | V | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59 | -42.7 | 174.2 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | F56 A81 F83 F91 D93 F94 E100 I101 L122 | F56-V97 HydrophobicContact CB-CG1 4.24Å; F56-V97 HydrophobicContact CD2-CG1 4.33Å; A81-V97 HydrophobicContact CB-CG2 3.83Å; F83-V97 HydrophobicContact CE2-CG1 4.1Å; F83-V97 HydrophobicContact CZ-CG1 3.8Å; F91-V97 HydrophobicContact CB-CG2 3.6Å; F91-V97 HydrophobicContact CD1-CG2 4.36Å; F91-V97 HydrophobicContact CG-CG2 4.13Å; D93-V97 PolarHBondContact O-N 3.38Å; F94-V97 HydrophobicContact CD1-CG2 4.32Å; F94-V97 PolarHBondContact O-N 2.66Å; V97-E100 PolarHBondContact O-N 3.22Å; V97-I101 HydrophobicContact CG1-CD1 4.17Å; V97-I101 VanDerWaalsContact O-CG1 3.31Å; V97-I101 WeakPolarHBondContact O-CG1 3.48Å; V97-I101 PolarHBondContact O-N 3.49Å; V97-L122 HydrophobicContact CG1-CD1 4.15Å; V97-L122 HydrophobicContact CG1-CD2 3.82Å |
| 98 | R | 91.1 | Very high | 89.9 | Confident | 49 Ų | 49 | 63.9 Ų | 63.9 | 19% | 0.185 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.7 | -50.3 | 176.7 | -168.7 | -173.8 | -52.6 | 116.8 | 11.7 | 111.7 | D55 F56 L57 F94 D95 E96 E100 I101 E102 | D55-R98 VanDerWaalsContact C-NH2 3.33Å; D55-R98 PolarHBondContact O-NH2 3.45Å; F56-R98 VanDerWaalsContact O-CA 3.25Å; F56-R98 WeakPolarHBondContact O-CA 3.42Å; F56-R98 WeakPolarHBondContact O-CB 3.48Å; L57-R98 WeakPolarHBondContact O-CD 3.31Å; L57-R98 PolarHBondContact O-NE 3.24Å; F94-R98 PolarHBondContact O-N 2.76Å; D95-R98 WeakPolarHBondContact O-CB 3.43Å; D95-R98 PolarHBondContact O-N 2.99Å; D95-R98 IonicContact OD1-CZ 2.73Å; D95-R98 IonicContact OD1-NH1 3.83Å; D95-R98 PolarHBondContact OD1-NH1 3.38Å; D95-R98 IonicContact OD1-NH2 3.68Å; D95-R98 PolarHBondContact OD1-NH2 3.14Å; E96-R98 VanDerWaalsContact C-N 3.28Å; E96-R98 PolarHBondContact O-N 3.39Å; R98-E100 VanDerWaalsContact C-N 3.27Å; R98-E100 PolarHBondContact O-N 2.65Å; R98-I101 PolarHBondContact O-N 2.98Å; R98-E102 WeakPolarHBondContact O-CG 3.2Å; R98-E102 PolarHBondContact O-N 2.78Å; R98-E102 VanDerWaalsContact O-N 3.08Å |
| 99 | Q | 90.8 | Very high | 90 | Very high | 125 Ų | 125 | 62 Ų | 62 | 58% | 0.584 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.1 | -38.2 | 179.2 | -70.3 | 173.3 | 22 | 0 | 0 | 111.7 | D95 E96 E102 A103 | D95-Q99 WeakPolarHBondContact O-CG 3.47Å; D95-Q99 PolarHBondContact O-N 3.14Å; E96-Q99 PolarHBondContact O-N 3.18Å; Q99-E102 PolarHBondContact O-N 3.34Å; Q99-A103 VanDerWaalsContact O-CB 3.31Å; Q99-A103 WeakPolarHBondContact O-CB 3.49Å; Q99-A103 PolarHBondContact O-N 3.33Å |
| 100 | E | 93.8 | Very high | 89.5 | Confident | 40 Ų | 40 | 58.5 Ų | 58.5 | 19% | 0.187 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.3 | -41 | 176 | -178.6 | 62.4 | -152.2 | 0 | 0 | 111.9 | F83 H85 F91 E96 V97 R98 E102 A103 E104 | F83-E100 HydrophobicContact CD2-CG 3.79Å; F83-E100 HydrophobicContact CE1-CG 4.45Å; F83-E100 HydrophobicContact CE2-CB 3.83Å; F83-E100 HydrophobicContact CE2-CG 3.47Å; F83-E100 VanDerWaalsContact CE2-CG 3.47Å; F83-E100 HydrophobicContact CG-CG 4.41Å; F83-E100 HydrophobicContact CZ-CB 4.06Å; F83-E100 HydrophobicContact CZ-CG 3.83Å; H85-E100 IonicContact CD2-OE1 3.71Å; H85-E100 IonicContact CE1-OE1 3.07Å; H85-E100 IonicContact NE2-OE1 3.91Å; H85-E100 PolarHBondContact NE2-OE1 3.44Å; F91-E100 HydrophobicContact CE1-CB 4.25Å; F91-E100 HydrophobicContact CE1-CG 4.35Å; F91-E100 HydrophobicContact CZ-CB 4.49Å; F91-E100 HydrophobicContact CZ-CG 4.09Å; E96-E100 VanDerWaalsContact O-CB 3.31Å; E96-E100 WeakPolarHBondContact O-CB 3.48Å; E96-E100 PolarHBondContact O-N 2.93Å; V97-E100 PolarHBondContact O-N 3.22Å; R98-E100 VanDerWaalsContact C-N 3.27Å; R98-E100 PolarHBondContact O-N 2.65Å; E100-E102 VanDerWaalsContact C-N 3.32Å; E100-E102 PolarHBondContact O-N 2.9Å; E100-A103 PolarHBondContact O-N 3.5Å; E100-E104 WeakPolarHBondContact O-CB 3.44Å; E100-E104 PolarHBondContact O-N 3.22Å |
| 101 | I | 91.9 | Very high | 88.5 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 5% | 0.046 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 174.5 | -67.1 | 163.1 | 0 | 0 | 0 | 110.5 | F56 L57 P58 L69 F83 V97 R98 T105 I120 L122 | F56-I101 HydrophobicContact CD2-CD1 4.3Å; L57-I101 HydrophobicContact CD2-CD1 4.42Å; P58-I101 HydrophobicContact CG-CB 4.3Å; P58-I101 HydrophobicContact CG-CG2 3.76Å; L69-I101 HydrophobicContact CD2-CD1 4.37Å; F83-I101 HydrophobicContact CE1-CG1 3.79Å; F83-I101 HydrophobicContact CZ-CD1 4.42Å; F83-I101 HydrophobicContact CZ-CG1 3.73Å; V97-I101 HydrophobicContact CG1-CD1 4.17Å; V97-I101 VanDerWaalsContact O-CG1 3.31Å; V97-I101 WeakPolarHBondContact O-CG1 3.48Å; V97-I101 PolarHBondContact O-N 3.49Å; R98-I101 PolarHBondContact O-N 2.98Å; I101-T105 VanDerWaalsContact O-CB 3.22Å; I101-T105 WeakPolarHBondContact O-CB 3.39Å; I101-T105 PolarHBondContact O-N 2.83Å; I101-T105 PolarHBondContact O-OG1 3.01Å; I101-I120 HydrophobicContact CG2-CD1 4.39Å; I101-L122 HydrophobicContact CD1-CD2 4.13Å |
| 102 | E | 90.1 | Very high | 87.3 | Confident | 71 Ų | 71 | 61.3 Ų | 61.3 | 33% | 0.332 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64 | -50.2 | 178.3 | -68.3 | 175.4 | 179.2 | 0 | 0 | 111.1 | P58 R98 Q99 E100 E104 T105 D106 | P58-E102 HydrophobicContact CB-CG 3.82Å; P58-E102 WeakPolarHBondContact CB-OE1 3.47Å; P58-E102 HydrophobicContact CG-CG 3.67Å; R98-E102 WeakPolarHBondContact O-CG 3.2Å; R98-E102 PolarHBondContact O-N 2.78Å; R98-E102 VanDerWaalsContact O-N 3.08Å; Q99-E102 PolarHBondContact O-N 3.34Å; E100-E102 VanDerWaalsContact C-N 3.32Å; E100-E102 PolarHBondContact O-N 2.9Å; E102-E104 PolarHBondContact O-N 2.68Å; E102-T105 WeakPolarHBondContact O-CB 3.49Å; E102-T105 PolarHBondContact O-N 2.86Å; E102-D106 PolarHBondContact O-N 3.23Å |
| 103 | A | 89.8 | Confident | 86.3 | Confident | 55 Ų | 55 | 59.8 Ų | 59.8 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q99 E100 T105 D106 R107 | Q99-A103 VanDerWaalsContact O-CB 3.31Å; Q99-A103 WeakPolarHBondContact O-CB 3.49Å; Q99-A103 PolarHBondContact O-N 3.33Å; E100-A103 PolarHBondContact O-N 3.5Å; A103-T105 VanDerWaalsContact C-N 3.3Å; A103-T105 PolarHBondContact O-N 3.16Å; A103-D106 PolarHBondContact O-N 3.3Å; A103-R107 WeakPolarHBondContact O-CB 3.48Å; A103-R107 PolarHBondContact O-N 3.32Å |
| 104 | E | 89.6 | Confident | 85.7 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68 | -32.4 | 178.1 | 177.3 | 51.9 | -152.7 | 0 | 0 | 112.1 | R67 H85 E100 E102 R107 I120 | R67-E104 IonicContact CZ-OE1 2.58Å; R67-E104 PolarHBondContact NH1-O 2.92Å; R67-E104 IonicContact NH1-OE1 3.29Å; R67-E104 PolarHBondContact NH1-OE1 3.33Å; R67-E104 IonicContact NH2-OE1 3.54Å; H85-E104 IonicContact CD2-OE2 3.38Å; H85-E104 IonicContact NE2-OE2 2.99Å; E100-E104 WeakPolarHBondContact O-CB 3.44Å; E100-E104 PolarHBondContact O-N 3.22Å; E102-E104 PolarHBondContact O-N 2.68Å; E104-R107 IonicContact OE1-CZ 2.85Å; E104-R107 IonicContact OE1-NE 2.62Å; E104-R107 IonicContact OE1-NH2 3.28Å; E104-R107 PolarHBondContact OE1-NH2 3.17Å; E104-R107 IonicContact OE2-CZ 3.87Å; E104-R107 IonicContact OE2-NE 3.8Å; E104-R107 PolarHBondContact OE2-NE 3.24Å; E104-R107 IonicContact OE2-NH1 2.67Å; E104-R107 IonicContact OE2-NH2 2.98Å; E104-R107 PolarHBondContact OE2-NH2 3.43Å; E104-I120 HydrophobicContact CB-CD1 4.37Å; E104-I120 HydrophobicContact CG-CD1 3.99Å; E104-I120 HydrophobicContact CG-CG1 4.13Å |
| 105 | T | 89.3 | Confident | 85.6 | Confident | 9 Ų | 9 | 57.7 Ų | 57.7 | 6% | 0.055 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.7 | -53.7 | 172.8 | -62.4 | 0 | 0 | 0 | 0 | 110.4 | R66 R67 I101 E102 A103 R107 I108 T109 I120 | R66-T105 HydrophobicContact CB-CG2 3.79Å; R67-T105 HydrophobicContact CG-CG2 4.29Å; I101-T105 VanDerWaalsContact O-CB 3.22Å; I101-T105 WeakPolarHBondContact O-CB 3.39Å; I101-T105 PolarHBondContact O-N 2.83Å; I101-T105 PolarHBondContact O-OG1 3.01Å; E102-T105 WeakPolarHBondContact O-CB 3.49Å; E102-T105 PolarHBondContact O-N 2.86Å; A103-T105 VanDerWaalsContact C-N 3.3Å; A103-T105 PolarHBondContact O-N 3.16Å; T105-R107 VanDerWaalsContact C-N 3.26Å; T105-R107 PolarHBondContact O-N 2.75Å; T105-I108 PolarHBondContact O-N 2.9Å; T105-I108 VanDerWaalsContact O-N 3.12Å; T105-T109 PolarHBondContact O-N 3.1Å; T105-T109 PolarHBondContact O-OG1 3.3Å; T105-I120 WeakPolarHBondContact OG1-CD1 3.3Å |
| 106 | D | 88.1 | Confident | 85.4 | Confident | 64 Ų | 64 | 55.2 Ų | 55.2 | 34% | 0.342 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.4 | -30.8 | -178.8 | -73.8 | -27.4 | 0 | 0 | 0 | 112.9 | R66 E102 A103 I108 G110 | R66-D106 IonicContact CZ-OD1 2.88Å; R66-D106 IonicContact NH1-OD1 2.74Å; R66-D106 PolarHBondContact NH1-OD1 2.82Å; R66-D106 IonicContact NH2-OD1 3.73Å; R66-D106 PolarHBondContact NH2-OD1 3.38Å; R66-D106 IonicContact NH2-OD2 3.86Å; E102-D106 PolarHBondContact O-N 3.23Å; A103-D106 PolarHBondContact O-N 3.3Å; D106-I108 PolarHBondContact O-N 2.9Å; D106-G110 WeakPolarHBondContact O-CA 3.44Å; D106-G110 PolarHBondContact O-N 2.7Å |
| 107 | R | 88.1 | Confident | 84.7 | Confident | 164 Ų | 164 | 54 Ų | 54 | 62% | 0.619 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -57.3 | -37.5 | 174.5 | -172.8 | 178.1 | 72 | 153.1 | 2.5 | 112.7 | A103 E104 T105 | A103-R107 WeakPolarHBondContact O-CB 3.48Å; A103-R107 PolarHBondContact O-N 3.32Å; E104-R107 IonicContact OE1-CZ 2.85Å; E104-R107 IonicContact OE1-NE 2.62Å; E104-R107 IonicContact OE1-NH2 3.28Å; E104-R107 PolarHBondContact OE1-NH2 3.17Å; E104-R107 IonicContact OE2-CZ 3.87Å; E104-R107 IonicContact OE2-NE 3.8Å; E104-R107 PolarHBondContact OE2-NE 3.24Å; E104-R107 IonicContact OE2-NH1 2.67Å; E104-R107 IonicContact OE2-NH2 2.98Å; E104-R107 PolarHBondContact OE2-NH2 3.43Å; T105-R107 VanDerWaalsContact C-N 3.26Å; T105-R107 PolarHBondContact O-N 2.75Å |
| 108 | I | 84.8 | Confident | 84.1 | Confident | 84 Ų | 84 | 57.8 Ų | 57.8 | 43% | 0.431 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -97.3 | -42.6 | -176 | -62.6 | -59.4 | 0 | 0 | 0 | 112 | R67 T105 D106 | R67-I108 VanDerWaalsContact NH1-CG1 3.31Å; T105-I108 PolarHBondContact O-N 2.9Å; T105-I108 VanDerWaalsContact O-N 3.12Å; D106-I108 PolarHBondContact O-N 2.9Å |
| 109 | T | 82.6 | Confident | 83.8 | Confident | 25 Ų | 25 | 57.8 Ų | 57.8 | 15% | 0.153 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -92 | -8.7 | -175.2 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | R67 T105 G114 | R67-T109 HydrophobicContact CG-CG2 4.02Å; T105-T109 PolarHBondContact O-N 3.1Å; T105-T109 PolarHBondContact O-OG1 3.3Å; T109-G114 WeakPolarHBondContact CB-O 3.4Å |
| 110 | G | 79.5 | Confident | 83.6 | Confident | 32 Ų | 32 | 52 Ų | 52 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 176.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R66 D106 N112 | R66-G110 PolarHBondContact NH1-O 3.05Å; D106-G110 WeakPolarHBondContact O-CA 3.44Å; D106-G110 PolarHBondContact O-N 2.7Å; G110-N112 PolarHBondContact O-N 3.29Å |
| 111 | A | 71.6 | Confident | 83.3 | Confident | 85 Ų | 85 | 52.4 Ų | 52.4 | 70% | 0.702 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -13.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K113 | A111-K113 VanDerWaalsContact C-N 3.32Å; A111-K113 PolarHBondContact O-N 3.24Å |
| 112 | N | 68.6 | Low | 83.2 | Confident | 111 Ų | 111 | 52 Ų | 52 | 59% | 0.594 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 56.3 | -171.7 | -68.1 | -1.9 | 0 | 0 | 0 | 113.2 | G110 G114 | G110-N112 PolarHBondContact O-N 3.29Å; N112-G114 WeakPolarHBondContact O-CA 3.37Å; N112-G114 PolarHBondContact O-N 3.26Å |
| 113 | K | 70.7 | Confident | 83.2 | Confident | 78 Ų | 78 | 51.1 Ų | 51.1 | 34% | 0.339 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 37.9 | 19.7 | 171.4 | -64 | -168.7 | -178.3 | -176.3 | 0 | 118.2 | A111 Q148 | A111-K113 VanDerWaalsContact C-N 3.32Å; A111-K113 PolarHBondContact O-N 3.24Å; K113-Q148 HydrophobicContact CB-CG 3.92Å |
| 114 | G | 78.1 | Confident | 83.2 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 19% | 0.186 | 27% | 0.273 | C | S | . | . | trans | -79.3 | 161.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | R66 T109 N112 | R66-G114 WeakPolarHBondContact CB-O 3.26Å; R66-G114 WeakPolarHBondContact CD-O 3.38Å; T109-G114 WeakPolarHBondContact CB-O 3.4Å; N112-G114 WeakPolarHBondContact O-CA 3.37Å; N112-G114 PolarHBondContact O-N 3.26Å | ||
| 115 | I | 85.3 | Confident | 83.1 | Confident | 24 Ų | 24 | 49.5 Ų | 49.5 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | trans | -111.5 | 154.7 | 176.9 | 66.8 | 177.3 | 0 | 0 | 0 | 110.3 | R66 I152 Q155 I156 M159 | R66-I115 HydrophobicContact CB-CG2 4.39Å; R66-I115 HydrophobicContact CG-CG2 4.5Å; R66-I115 WeakPolarHBondContact O-CA 3.28Å; R66-I115 WeakPolarHBondContact O-CB 3.32Å; I115-I152 HydrophobicContact CD1-CD1 3.75Å; I115-I152 HydrophobicContact CG1-CD1 3.94Å; I115-I152 HydrophobicContact CG2-CD1 4.01Å; I115-Q155 HydrophobicContact CD1-CB 3.77Å; I115-I156 HydrophobicContact CD1-CB 4.4Å; I115-I156 HydrophobicContact CD1-CG1 3.5Å; I115-I156 VanDerWaalsContact CD1-CG1 3.5Å; I115-M159 HydrophobicContact CB-CE 4.02Å; I115-M159 HydrophobicContact CD1-CE 3.7Å; I115-M159 HydrophobicContact CG1-CE 3.87Å | ||
| 116 | S | 83.9 | Confident | 82.8 | Confident | 16 Ų | 16 | 49.1 Ų | 49.1 | 11% | 0.112 | 27% | 0.274 | C | S | . | . | trans | -138.3 | 137.1 | 173.6 | 169.6 | 0 | 0 | 0 | 0 | 110.1 | R66 P68 V118 M159 | R66-S116 PolarHBondContact O-N 3.44Å; R66-S116 VanDerWaalsContact O-N 3.12Å; P68-S116 WeakPolarHBondContact CD-O 3.39Å; S116-V118 PolarHBondContact O-N 3.04Å; S116-V118 PolarHBondContact OG-N 3.4Å; S116-M159 VanDerWaalsContact C-CE 3.47Å | ||
| 117 | P | 78.2 | Confident | 82.4 | Confident | 64 Ų | 64 | 48.7 Ų | 48.7 | 42% | 0.416 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -72.7 | -8.6 | 178.3 | 31.2 | -35.7 | 0 | 0 | 0 | 112.7 | P119 M159 | P117-P119 WeakPolarHBondContact O-CD 3.45Å; P117-M159 HydrophobicContact CB-CE 4.23Å; P117-M159 HydrophobicContact CB-CG 4.32Å |
| 118 | V | 80.2 | Confident | 81.7 | Confident | 79 Ų | 79 | 48 Ų | 48 | 48% | 0.479 | 28% | 0.278 | S | S | . | . | trans | -73.4 | 115.8 | -178.5 | -177 | 0 | 0 | 0 | 0 | 110 | R67 S116 | R67-V118 PolarHBondContact NE-O 2.66Å; R67-V118 PolarHBondContact NH2-O 3.47Å; R67-V118 VanDerWaalsContact NH2-O 3.1Å; S116-V118 PolarHBondContact O-N 3.04Å; S116-V118 PolarHBondContact OG-N 3.4Å | ||
| 119 | P | 84.1 | Confident | 81.2 | Confident | 48 Ų | 48 | 44.1 Ų | 44.1 | 31% | 0.312 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 157.7 | -173.9 | 28.6 | -34.6 | 0 | 0 | 0 | 113.1 | R67 P68 V70 P117 | R67-P119 PolarHBondContact NH2-O 3.02Å; R67-P119 VanDerWaalsContact NH2-O 3.16Å; P68-P119 HydrophobicContact CB-CB 4.2Å; P68-P119 CarbonylContact O-C 3.57Å; P68-P119 WeakPolarHBondContact O-CA 3.44Å; V70-P119 HydrophobicContact CG2-CB 3.89Å; P117-P119 WeakPolarHBondContact O-CD 3.45Å |
| 120 | I | 87.9 | Confident | 80.7 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.6 | 164.1 | -59.2 | 174 | 0 | 0 | 0 | 107.2 | R67 P68 L69 V70 F83 I101 E104 T105 | R67-I120 HydrophobicContact CB-CD1 4.33Å; R67-I120 HydrophobicContact CB-CG1 4.42Å; R67-I120 VanDerWaalsContact CZ-CG1 3.49Å; P68-I120 PolarHBondContact O-N 2.92Å; L69-I120 HydrophobicContact CD1-CB 3.81Å; L69-I120 HydrophobicContact CD1-CG2 3.79Å; V70-I120 PolarHBondContact N-O 3.14Å; F83-I120 HydrophobicContact CD1-CG2 3.97Å; F83-I120 HydrophobicContact CE1-CG2 3.97Å; I101-I120 HydrophobicContact CG2-CD1 4.39Å; E104-I120 HydrophobicContact CB-CD1 4.37Å; E104-I120 HydrophobicContact CG-CD1 3.99Å; E104-I120 HydrophobicContact CG-CG1 4.13Å; T105-I120 WeakPolarHBondContact OG1-CD1 3.3Å |
| 121 | N | 87.2 | Confident | 80.3 | Confident | 48 Ų | 48 | 45.8 Ų | 45.8 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 117.9 | 178.8 | -71.1 | -63.1 | 0 | 0 | 0 | 110 | V70 L84 | V70-N121 VanDerWaalsContact CB-OD1 3.27Å; V70-N121 WeakPolarHBondContact CB-OD1 3.38Å; L84-N121 HydrophobicContact CB-CB 3.67Å; L84-N121 HydrophobicContact CD2-CB 4.06Å; L84-N121 WeakPolarHBondContact CD2-ND2 3.18Å; L84-N121 HydrophobicContact CG-CB 4.5Å; L84-N121 PolarHBondContact N-O 3.23Å; L84-N121 VanDerWaalsContact N-O 3.13Å |
| 122 | L | 89.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.9 | -178.5 | 173.6 | 59.6 | 0 | 0 | 0 | 110.3 | F56 L69 V70 L71 Q72 A81 F83 V97 I101 V124 | F56-L122 HydrophobicContact CD2-CD2 4.01Å; F56-L122 HydrophobicContact CE2-CD2 3.99Å; L69-L122 HydrophobicContact CD1-CB 4.11Å; V70-L122 PolarHBondContact O-N 3.31Å; L71-L122 WeakPolarHBondContact CA-O 3.27Å; L71-L122 HydrophobicContact CD1-CB 4.41Å; L71-L122 HydrophobicContact CD1-CD2 3.91Å; L71-L122 HydrophobicContact CD1-CG 4.02Å; Q72-L122 PolarHBondContact N-O 3.01Å; A81-L122 HydrophobicContact CB-CD1 3.98Å; F83-L122 HydrophobicContact CD1-CB 4.19Å; F83-L122 HydrophobicContact CD1-CD1 3.99Å; F83-L122 HydrophobicContact CD2-CD1 4.21Å; F83-L122 HydrophobicContact CE1-CB 4.03Å; F83-L122 HydrophobicContact CE1-CD1 3.74Å; F83-L122 HydrophobicContact CE1-CD2 4.31Å; F83-L122 HydrophobicContact CE1-CG 4.24Å; F83-L122 HydrophobicContact CE2-CD1 3.96Å; F83-L122 HydrophobicContact CG-CD1 4.23Å; F83-L122 HydrophobicContact CZ-CD1 3.72Å; F83-L122 HydrophobicContact CZ-CD2 4.37Å; V97-L122 HydrophobicContact CG1-CD1 4.15Å; V97-L122 HydrophobicContact CG1-CD2 3.82Å; I101-L122 HydrophobicContact CD1-CD2 4.13Å; L122-V124 HydrophobicContact CD1-CG2 4.47Å; L122-V124 HydrophobicContact CD2-CG2 4.28Å; L122-V124 HydrophobicContact CG-CG2 4.09Å |
| 123 | R | 88.9 | Confident | 80.9 | Confident | 52 Ų | 52 | 36.7 Ų | 36.7 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131.1 | 170.2 | -69.8 | 176.7 | -174.9 | 177.8 | 7.3 | 110 | D18 Q72 A81 E82 Y125 | D18-R123 IonicContact OD1-CZ 3.74Å; D18-R123 IonicContact OD1-NH2 3.4Å; D18-R123 PolarHBondContact OD1-NH2 3.25Å; D18-R123 IonicContact OD2-CZ 3.23Å; D18-R123 IonicContact OD2-NH1 3.7Å; D18-R123 PolarHBondContact OD2-NH1 3.36Å; D18-R123 VanDerWaalsContact OD2-NH1 3.07Å; D18-R123 IonicContact OD2-NH2 3.73Å; D18-R123 PolarHBondContact OD2-NH2 3.17Å; Q72-R123 HydrophobicContact CB-CG 4.02Å; Q72-R123 CarbonylContact O-C 3.56Å; Q72-R123 WeakPolarHBondContact O-CA 3.33Å; Q72-R123 VanDerWaalsContact OE1-CG 3.26Å; A81-R123 CarbonylContact C-O 3.1Å; A81-R123 WeakPolarHBondContact CA-O 3.48Å; A81-R123 WeakPolarHBondContact CB-O 3.46Å; E82-R123 PolarHBondContact N-O 3.46Å; E82-R123 PolarHBondContact O-N 3.48Å; R123-Y125 HydrophobicContact CB-CD2 4.45Å; R123-Y125 HydrophobicContact CB-CE2 3.77Å |
| 124 | V | 89.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 117.8 | 172.2 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | V52 L71 Q72 L73 M74 A81 F94 L122 | V52-V124 HydrophobicContact CG1-CG1 3.93Å; L71-V124 HydrophobicContact CD1-CG2 3.76Å; Q72-V124 PolarHBondContact O-N 3.14Å; L73-V124 HydrophobicContact CD2-CB 3.91Å; L73-V124 HydrophobicContact CD2-CG2 4.4Å; M74-V124 PolarHBondContact N-O 3.27Å; A81-V124 HydrophobicContact CB-CG2 4.23Å; F94-V124 HydrophobicContact CE1-CG1 3.81Å; F94-V124 HydrophobicContact CE1-CG2 4.3Å; F94-V124 HydrophobicContact CZ-CG1 3.79Å; L122-V124 HydrophobicContact CD1-CG2 4.47Å; L122-V124 HydrophobicContact CD2-CG2 4.28Å; L122-V124 HydrophobicContact CG-CG2 4.09Å |
| 125 | Y | 88 | Confident | 82.1 | Confident | 34 Ų | 34 | 32.1 Ų | 32.1 | 13% | 0.133 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.4 | 173.8 | -61.9 | -91.2 | 0 | 0 | 0 | 108 | M74 E79 Y80 R123 | M74-Y125 HydrophobicContact CB-CD1 3.56Å; M74-Y125 HydrophobicContact CB-CE1 3.76Å; M74-Y125 HydrophobicContact CB-CG 4.26Å; M74-Y125 HydrophobicContact CG-CD1 4.25Å; M74-Y125 HydrophobicContact CG-CE1 3.96Å; M74-Y125 VanDerWaalsContact O-CA 3.29Å; M74-Y125 WeakPolarHBondContact O-CA 3.19Å; E79-Y125 CarbonylContact C-O 3.46Å; E79-Y125 WeakPolarHBondContact CA-O 3.24Å; Y80-Y125 HydrophobicContact CD1-CD2 4.23Å; Y80-Y125 HydrophobicContact CD1-CG 4.18Å; Y80-Y125 AromaticContact CD2-CD2 3.85Å; Y80-Y125 HydrophobicContact CD2-CD2 3.85Å; Y80-Y125 HydrophobicContact CD2-CE2 4.44Å; Y80-Y125 HydrophobicContact CE1-CD1 4.25Å; Y80-Y125 AromaticContact CE1-CD2 3.73Å; Y80-Y125 HydrophobicContact CE1-CD2 3.73Å; Y80-Y125 AromaticContact CE1-CG 3.57Å; Y80-Y125 HydrophobicContact CE1-CG 3.57Å; Y80-Y125 AromaticContact CE2-CD2 3.32Å; Y80-Y125 HydrophobicContact CE2-CD2 3.32Å; Y80-Y125 AromaticContact CE2-CE2 3.6Å; Y80-Y125 HydrophobicContact CE2-CE2 3.6Å; Y80-Y125 HydrophobicContact CE2-CG 4.06Å; Y80-Y125 HydrophobicContact CG-CD2 4.28Å; Y80-Y125 AromaticContact CZ-CD2 3.24Å; Y80-Y125 AromaticContact CZ-CE2 3.63Å; Y80-Y125 AromaticContact CZ-CG 3.5Å; Y80-Y125 PolarHBondContact N-O 3Å; Y80-Y125 PolarHBondContact O-N 3.03Å; Y80-Y125 WeakPolarHBondContact OH-CE2 3.42Å; R123-Y125 HydrophobicContact CB-CD2 4.45Å; R123-Y125 HydrophobicContact CB-CE2 3.77Å |
| 126 | S | 84.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 148.8 | 177.1 | 176.2 | 0 | 0 | 0 | 0 | 111 | M74 N75 S76 E79 H128 | M74-S126 PolarHBondContact O-N 3.14Å; N75-S126 WeakPolarHBondContact CA-O 3.23Å; S76-S126 PolarHBondContact N-O 3.2Å; S76-S126 VanDerWaalsContact N-O 3.09Å; S76-S126 CarbonylContact O-C 3.57Å; E79-S126 WeakPolarHBondContact OE1-CB 3.33Å; E79-S126 PolarHBondContact OE1-OG 3.5Å; S126-H128 PolarHBondContact O-N 3.12Å; S126-H128 PolarHBondContact OG-N 2.85Å |
| 127 | P | 78.8 | Confident | 82.7 | Confident | 55 Ų | 55 | 30.3 Ų | 30.3 | 36% | 0.357 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -13.9 | 176.2 | 28.7 | -34.7 | 0 | 0 | 0 | 112.4 | S76 | S76-P127 WeakPolarHBondContact O-CA 3.48Å; S76-P127 WeakPolarHBondContact O-CB 3.46Å; S76-P127 VanDerWaalsContact O-CD 3.28Å; S76-P127 WeakPolarHBondContact O-CD 3.31Å |
| 128 | H | 72.5 | Confident | 83.2 | Confident | 149 Ų | 149 | 27.4 Ų | 27.4 | 69% | 0.69 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -2.5 | -173.4 | -58.9 | -58.2 | 0 | 0 | 0 | 114 | S126 | S126-H128 PolarHBondContact O-N 3.12Å; S126-H128 PolarHBondContact OG-N 2.85Å |
| 129 | V | 75.7 | Confident | 83.5 | Confident | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.018 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -109.5 | 150 | -177.8 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | L73 N75 | L73-V129 HydrophobicContact CB-CB 4.22Å; L73-V129 HydrophobicContact CB-CG2 4.04Å; L73-V129 HydrophobicContact CD1-CB 4.41Å; N75-V129 WeakPolarHBondContact CB-O 3.46Å; N75-V129 PolarHBondContact ND2-O 2.98Å |
| 130 | L | 71.6 | Confident | 83.6 | Confident | 68 Ų | 68 | 22.9 Ų | 22.9 | 36% | 0.356 | 12% | 0.115 | S | C | . | . | trans | -83.8 | 152.7 | 165 | -64.9 | 176.4 | 0 | 0 | 0 | 109.2 | L73 L132 N282 | L73-L130 WeakPolarHBondContact CB-O 3.37Å; L130-L132 HydrophobicContact CB-CD1 4.32Å; L130-L132 HydrophobicContact CB-CG 4.3Å; L130-L132 PolarHBondContact O-N 3.09Å; L130-L132 VanDerWaalsContact O-N 3.07Å; L130-N282 HydrophobicContact CD1-CB 3.73Å | ||
| 131 | N | 71 | Confident | 83.3 | Confident | 24 Ų | 24 | 22.9 Ų | 22.9 | 13% | 0.128 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -59.5 | 115.8 | 169.7 | -65.3 | -34.6 | 0 | 0 | 0 | 108.1 | E7 I10 P11 L73 M74 N75 N282 | E7-N131 PolarHBondContact O-ND2 3.36Å; I10-N131 HydrophobicContact CB-CB 3.71Å; I10-N131 HydrophobicContact CD1-CB 4.27Å; I10-N131 WeakPolarHBondContact CD1-O 3.28Å; I10-N131 HydrophobicContact CG2-CB 3.64Å; P11-N131 WeakPolarHBondContact CG-ND2 3.14Å; L73-N131 VanDerWaalsContact O-CA 3.25Å; L73-N131 WeakPolarHBondContact O-CA 3.37Å; M74-N131 WeakPolarHBondContact CA-OD1 3.38Å; N75-N131 PolarHBondContact N-OD1 2.64Å; N131-N282 PolarHBondContact O-ND2 3.04Å |
| 132 | L | 74.9 | Confident | 82.8 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 139.1 | -175.8 | -77.3 | 173.9 | 0 | 0 | 0 | 109.9 | L73 L130 N282 L285 | L73-L132 HydrophobicContact CB-CB 4.32Å; L73-L132 HydrophobicContact CD1-CB 4.41Å; L73-L132 PolarHBondContact N-O 2.77Å; L73-L132 PolarHBondContact O-N 3.28Å; L130-L132 HydrophobicContact CB-CD1 4.32Å; L130-L132 HydrophobicContact CB-CG 4.3Å; L130-L132 PolarHBondContact O-N 3.09Å; L130-L132 VanDerWaalsContact O-N 3.07Å; L132-N282 HydrophobicContact CD2-CB 4.05Å; L132-L285 HydrophobicContact CD2-CD2 3.91Å |
| 133 | T | 78.1 | Confident | 82.2 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 118.3 | 172.3 | -56.9 | 0 | 0 | 0 | 0 | 109.5 | N14 I34 V70 L71 Q72 | N14-T133 PolarHBondContact OD1-OG1 3.1Å; I34-T133 PolarHBondContact N-O 3.2Å; V70-T133 HydrophobicContact CG1-CG2 4.2Å; L71-T133 WeakPolarHBondContact O-CA 3.48Å; Q72-T133 HydrophobicContact CG-CG2 4.04Å |
| 134 | L | 86 | Confident | 81.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 138.7 | -174.9 | -68 | 150.7 | 0 | 0 | 0 | 109 | I34 V36 L48 F51 L71 L73 | I34-L134 HydrophobicContact CB-CD2 3.92Å; I34-L134 HydrophobicContact CD1-CD2 4.22Å; I34-L134 HydrophobicContact CG2-CD2 3.85Å; I34-L134 CarbonylContact O-C 3.55Å; I34-L134 WeakPolarHBondContact O-CA 3.19Å; V36-L134 HydrophobicContact CG2-CD2 4.39Å; L48-L134 HydrophobicContact CD2-CB 3.98Å; L48-L134 HydrophobicContact CD2-CD1 3.79Å; L48-L134 HydrophobicContact CD2-CD2 4.22Å; L48-L134 HydrophobicContact CD2-CG 4.22Å; F51-L134 HydrophobicContact CD2-CD1 3.76Å; F51-L134 HydrophobicContact CE2-CD1 4.26Å; F51-L134 HydrophobicContact CE2-CD2 4.39Å; L71-L134 HydrophobicContact CB-CB 4.46Å; L71-L134 PolarHBondContact N-O 3Å; L71-L134 PolarHBondContact O-N 2.77Å; L73-L134 HydrophobicContact CD1-CD1 4.12Å |
| 135 | V | 88.6 | Confident | 81 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 108.1 | 173.6 | -171.8 | 0 | 0 | 0 | 0 | 107.8 | Q33 I34 V36 P68 L69 V70 L137 F163 | Q33-V135 HydrophobicContact CB-CG2 4.48Å; I34-V135 PolarHBondContact O-N 3.47Å; V36-V135 PolarHBondContact N-O 2.82Å; P68-V135 HydrophobicContact CB-CG1 4.45Å; L69-V135 CarbonylContact O-C 3.55Å; L69-V135 WeakPolarHBondContact O-CA 3.22Å; V70-V135 HydrophobicContact CG2-CG1 4.41Å; V70-V135 HydrophobicContact CG2-CG2 4.32Å; V135-L137 HydrophobicContact CG1-CD2 3.75Å; V135-L137 HydrophobicContact CG1-CG 4.16Å; V135-F163 HydrophobicContact CG1-CD1 4.02Å; V135-F163 HydrophobicContact CG1-CE1 3.96Å |
| 136 | D | 90.6 | Very high | 80.3 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 124.8 | 169.6 | -166.7 | 32.9 | 0 | 0 | 0 | 108.8 | L48 T65 P68 L69 | L48-D136 HydrophobicContact CD1-CB 3.49Å; L48-D136 VanDerWaalsContact CD1-CB 3.49Å; L48-D136 VanDerWaalsContact CD1-CG 3.5Å; T65-D136 WeakPolarHBondContact CG2-OD2 3.48Å; T65-D136 PolarHBondContact OG1-OD2 2.93Å; P68-D136 CarbonylContact C-O 3.59Å; P68-D136 WeakPolarHBondContact CA-O 3.5Å; L69-D136 HydrophobicContact CB-CB 4.13Å; L69-D136 PolarHBondContact N-O 2.75Å; L69-D136 PolarHBondContact O-N 3.3Å |
| 137 | L | 90 | Very high | 79.8 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | trans | -112 | 151.5 | -179.5 | -62.2 | 170.3 | 0 | 0 | 0 | 110.7 | A35 V37 K44 P68 V135 G139 L160 F163 V164 | A35-L137 HydrophobicContact CB-CD1 3.9Å; V37-L137 HydrophobicContact CG2-CD1 4.31Å; K44-L137 WeakPolarHBondContact CE-O 3.18Å; P68-L137 HydrophobicContact CB-CD2 3.96Å; P68-L137 HydrophobicContact CG-CD2 4.15Å; V135-L137 HydrophobicContact CG1-CD2 3.75Å; V135-L137 HydrophobicContact CG1-CG 4.16Å; L137-G139 PolarHBondContact O-N 3.44Å; L137-L160 HydrophobicContact CB-CD2 3.39Å; L137-L160 HydrophobicContact CD1-CD2 3.53Å; L137-L160 HydrophobicContact CG-CD2 4.01Å; L137-F163 HydrophobicContact CD1-CB 4.1Å; L137-F163 HydrophobicContact CD1-CG 4.41Å; L137-F163 HydrophobicContact CD2-CD1 4.46Å; L137-F163 HydrophobicContact CD2-CD2 3.64Å; L137-F163 HydrophobicContact CD2-CE2 3.89Å; L137-F163 HydrophobicContact CD2-CG 3.97Å; L137-F163 HydrophobicContact CD2-CZ 4.41Å; L137-V164 HydrophobicContact CD1-CG1 4.49Å | ||
| 138 | P | 88.6 | Confident | 79.6 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.013 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -51.4 | 139.8 | 175.4 | -28.2 | 36.2 | 0 | 0 | 0 | 112.6 | T65 I156 M159 | T65-P138 WeakPolarHBondContact O-CA 3.38Å; T65-P138 VanDerWaalsContact O-CB 3.23Å; T65-P138 WeakPolarHBondContact O-CB 3.47Å; T65-P138 WeakPolarHBondContact O-CG 3.39Å; P138-I156 HydrophobicContact CB-CG1 4.43Å; P138-I156 HydrophobicContact CB-CG2 4.22Å; P138-M159 HydrophobicContact CG-SD 3.7Å |
| 139 | G | 87.4 | Confident | 79.9 | Confident | 8 Ų | 8 | 35 Ų | 35 | 8% | 0.082 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 137.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | G38 L137 T141 | G38-G139 WeakPolarHBondContact O-CA 3.29Å; L137-G139 PolarHBondContact O-N 3.44Å; G139-T141 PolarHBondContact O-N 3.46Å |
| 140 | M | 85.3 | Confident | 80.3 | Confident | 24 Ų | 24 | 39.5 Ų | 39.5 | 12% | 0.118 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -63.5 | 135.5 | 176.1 | -70.1 | 172 | -80.8 | 0 | 0 | 111.7 | V37 G38 Q40 I156 L160 D185 I189 | V37-M140 HydrophobicContact CG1-CE 4.12Å; G38-M140 PolarHBondContact O-N 3.39Å; Q40-M140 PolarHBondContact N-O 3.22Å; M140-I156 HydrophobicContact CG-CG2 4.28Å; M140-L160 HydrophobicContact CE-CD1 4.36Å; M140-L160 HydrophobicContact CG-CD1 3.71Å; M140-L160 HydrophobicContact SD-CD1 3.99Å; M140-D185 HydrophobicContact CB-CB 4.5Å; M140-D185 HydrophobicContact CE-CB 3.42Å; M140-D185 VanDerWaalsContact CE-CB 3.42Å; M140-D185 HydrophobicContact SD-CB 3.6Å; M140-D185 VanDerWaalsContact SD-CB 3.6Å; M140-I189 HydrophobicContact CE-CD1 3.94Å; M140-I189 HydrophobicContact SD-CD1 3.29Å; M140-I189 WeakPolarHBondContact SD-CD1 3.36Å; M140-I189 HydrophobicContact SD-CG1 4.15Å |
| 141 | T | 82.6 | Confident | 80.9 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | trans | -128.2 | 131.6 | 176.9 | 58 | 0 | 0 | 0 | 0 | 109.3 | Q40 I63 G139 E153 | Q40-T141 HydrophobicContact CB-CG2 4.12Å; Q40-T141 HydrophobicContact CG-CG2 4.4Å; Q40-T141 VanDerWaalsContact OE1-CG2 3.31Å; I63-T141 HydrophobicContact CD1-CG2 4.03Å; I63-T141 HydrophobicContact CG1-CG2 3.68Å; G139-T141 PolarHBondContact O-N 3.46Å; T141-E153 WeakPolarHBondContact O-CB 3.23Å | ||
| 142 | K | 75.4 | Confident | 81.6 | Confident | 118 Ų | 118 | 39 Ų | 39 | 51% | 0.513 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -88.6 | -17.6 | -177.5 | -64.9 | -178.6 | 179 | 172 | 0 | 114.2 | D185 | K142-D185 WeakPolarHBondContact CE-OD1 3.42Å; K142-D185 WeakPolarHBondContact CE-OD2 3.37Å; K142-D185 IonicContact NZ-OD1 3.28Å; K142-D185 PolarHBondContact NZ-OD1 3.28Å; K142-D185 IonicContact NZ-OD2 2.75Å; K142-D185 PolarHBondContact NZ-OD2 3.31Å |
| 143 | V | 78.8 | Confident | 82.2 | Confident | 103 Ų | 103 | 43.7 Ų | 43.7 | 62% | 0.624 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -135.3 | 127.3 | -177.9 | -175 | 0 | 0 | 0 | 0 | 107.9 | ||
| 144 | P | 77.1 | Confident | 82.6 | Confident | 56 Ų | 56 | 45.9 Ų | 45.9 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | trans | -63.5 | 136 | 175.2 | 26.8 | -34 | 0 | 0 | 0 | 110.1 | Q148 I152 | P144-Q148 HydrophobicContact CB-CB 4.1Å; P144-I152 HydrophobicContact CB-CG2 3.9Å | ||
| 145 | V | 75.1 | Confident | 82.7 | Confident | 64 Ų | 64 | 49 Ų | 49 | 39% | 0.388 | 30% | 0.3 | S | S | . | . | trans | -124 | 128.5 | 179.9 | -76.9 | 0 | 0 | 0 | 0 | 111.9 | Q148 | V145-Q148 WeakPolarHBondContact O-CG 3.28Š| ||
| 146 | G | 75 | Confident | 82.7 | Confident | 66 Ų | 66 | 49 Ų | 49 | 68% | 0.68 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 71.8 | -136.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q148 | G146-Q148 PolarHBondContact O-N 2.82Å; G146-Q148 VanDerWaalsContact O-N 3.14Å |
| 147 | D | 72.4 | Confident | 82.7 | Confident | 123 Ų | 123 | 54 Ų | 54 | 66% | 0.658 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -81.5 | 20.1 | -177.2 | -51.8 | -48.2 | 0 | 0 | 0 | 114.1 | ||
| 148 | Q | 75.7 | Confident | 82.6 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | trans | -74.3 | 142.9 | 178.5 | -71.5 | 176 | -11.2 | 0 | 0 | 110.9 | K113 P144 V145 G146 I152 | K113-Q148 HydrophobicContact CB-CG 3.92Å; P144-Q148 HydrophobicContact CB-CB 4.1Å; V145-Q148 WeakPolarHBondContact O-CG 3.28Å; G146-Q148 PolarHBondContact O-N 2.82Å; G146-Q148 VanDerWaalsContact O-N 3.14Å; Q148-I152 HydrophobicContact CB-CB 4.47Å; Q148-I152 HydrophobicContact CB-CG1 4.48Å; Q148-I152 HydrophobicContact CB-CG2 4.46Å | ||
| 149 | P | 79.2 | Confident | 82.5 | Confident | 47 Ų | 47 | 58.6 Ų | 58.6 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | trans | -69.2 | 153.7 | 178.8 | 33.6 | -38.1 | 0 | 0 | 0 | 111 | D151 I152 | P149-D151 VanDerWaalsContact CB-OD1 3.32Å; P149-D151 WeakPolarHBondContact CB-OD1 3.32Å; P149-D151 PolarHBondContact O-N 3.45Å; P149-D151 VanDerWaalsContact O-N 3.15Å; P149-I152 HydrophobicContact CG-CB 4.21Å; P149-I152 HydrophobicContact CG-CD1 4.25Å; P149-I152 WeakPolarHBondContact O-CB 3.4Å; P149-I152 WeakPolarHBondContact O-CG2 3.37Å; P149-I152 PolarHBondContact O-N 3.25Å; P149-I152 VanDerWaalsContact O-N 3.1Å | ||
| 150 | A | 82.3 | Confident | 82.6 | Confident | 98 Ų | 98 | 58.2 Ų | 58.2 | 81% | 0.81 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -22.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 151 | D | 85.4 | Confident | 82.9 | Confident | 80 Ų | 80 | 58.9 Ų | 58.9 | 43% | 0.428 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 14.2 | 179.3 | 66.3 | -35.4 | 0 | 0 | 0 | 113.5 | P149 E153 A154 Q155 | P149-D151 VanDerWaalsContact CB-OD1 3.32Å; P149-D151 WeakPolarHBondContact CB-OD1 3.32Å; P149-D151 PolarHBondContact O-N 3.45Å; P149-D151 VanDerWaalsContact O-N 3.15Å; D151-E153 PolarHBondContact O-N 3.41Å; D151-E153 VanDerWaalsContact O-N 3.14Å; D151-A154 WeakPolarHBondContact O-CB 3.32Å; D151-A154 PolarHBondContact O-N 2.9Å; D151-Q155 PolarHBondContact O-N 3.31Å; D151-Q155 PolarHBondContact OD1-NE2 3.25Å; D151-Q155 VanDerWaalsContact OD1-NE2 3.07Å; D151-Q155 PolarHBondContact OD2-NE2 3.12Å |
| 152 | I | 85.3 | Confident | 83 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -54.9 | -35.9 | -176.6 | -169.8 | 61 | 0 | 0 | 0 | 113.4 | I63 I115 P144 Q148 P149 Q155 I156 | I63-I152 HydrophobicContact CD1-CD1 4.47Å; I63-I152 HydrophobicContact CD1-CG1 4Å; I115-I152 HydrophobicContact CD1-CD1 3.75Å; I115-I152 HydrophobicContact CG1-CD1 3.94Å; I115-I152 HydrophobicContact CG2-CD1 4.01Å; P144-I152 HydrophobicContact CB-CG2 3.9Å; Q148-I152 HydrophobicContact CB-CB 4.47Å; Q148-I152 HydrophobicContact CB-CG1 4.48Å; Q148-I152 HydrophobicContact CB-CG2 4.46Å; P149-I152 HydrophobicContact CG-CB 4.21Å; P149-I152 HydrophobicContact CG-CD1 4.25Å; P149-I152 WeakPolarHBondContact O-CB 3.4Å; P149-I152 WeakPolarHBondContact O-CG2 3.37Å; P149-I152 PolarHBondContact O-N 3.25Å; P149-I152 VanDerWaalsContact O-N 3.1Å; I152-Q155 PolarHBondContact O-N 3.08Å; I152-I156 HydrophobicContact CD1-CD1 4.47Å; I152-I156 HydrophobicContact CD1-CG1 4.42Å; I152-I156 HydrophobicContact CG1-CD1 4.03Å; I152-I156 HydrophobicContact CG1-CG1 4.41Å; I152-I156 VanDerWaalsContact O-CG1 3.26Å; I152-I156 WeakPolarHBondContact O-CG1 3.06Å; I152-I156 PolarHBondContact O-N 2.88Å |
| 153 | E | 86.9 | Confident | 83.5 | Confident | 101 Ų | 101 | 59.4 Ų | 59.4 | 47% | 0.472 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 176.3 | -176.5 | 177.7 | -178.8 | 0 | 0 | 111.4 | T141 D151 I156 R157 | T141-E153 WeakPolarHBondContact O-CB 3.23Å; D151-E153 PolarHBondContact O-N 3.41Å; D151-E153 VanDerWaalsContact O-N 3.14Å; E153-I156 PolarHBondContact O-N 3.47Å; E153-R157 WeakPolarHBondContact O-CB 3.38Å; E153-R157 PolarHBondContact O-N 2.84Å |
| 154 | A | 87.7 | Confident | 84 | Confident | 49 Ų | 49 | 54.5 Ų | 54.5 | 41% | 0.405 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | D151 I156 R157 D158 | D151-A154 WeakPolarHBondContact O-CB 3.32Å; D151-A154 PolarHBondContact O-N 2.9Å; A154-I156 PolarHBondContact O-N 3.28Å; A154-R157 PolarHBondContact O-N 2.77Å; A154-D158 WeakPolarHBondContact O-CB 3.43Å; A154-D158 VanDerWaalsContact O-CG 3.31Å; A154-D158 PolarHBondContact O-N 3.05Å |
| 155 | Q | 87.1 | Confident | 84.6 | Confident | 67 Ų | 67 | 55.5 Ų | 55.5 | 31% | 0.313 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 178.3 | -61.9 | -178.3 | 16.4 | 0 | 0 | 112.6 | I115 D151 I152 M159 | I115-Q155 HydrophobicContact CD1-CB 3.77Å; D151-Q155 PolarHBondContact O-N 3.31Å; D151-Q155 PolarHBondContact OD1-NE2 3.25Å; D151-Q155 VanDerWaalsContact OD1-NE2 3.07Å; D151-Q155 PolarHBondContact OD2-NE2 3.12Å; I152-Q155 PolarHBondContact O-N 3.08Å; Q155-M159 WeakPolarHBondContact O-CB 3.2Å; Q155-M159 PolarHBondContact O-N 3.37Å |
| 156 | I | 88.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 174.8 | -66.9 | 170.1 | 0 | 0 | 0 | 110 | I63 I115 P138 M140 I152 E153 A154 M159 L160 | I63-I156 HydrophobicContact CD1-CD1 3.63Å; I115-I156 HydrophobicContact CD1-CB 4.4Å; I115-I156 HydrophobicContact CD1-CG1 3.5Å; I115-I156 VanDerWaalsContact CD1-CG1 3.5Å; P138-I156 HydrophobicContact CB-CG1 4.43Å; P138-I156 HydrophobicContact CB-CG2 4.22Å; M140-I156 HydrophobicContact CG-CG2 4.28Å; I152-I156 HydrophobicContact CD1-CD1 4.47Å; I152-I156 HydrophobicContact CD1-CG1 4.42Å; I152-I156 HydrophobicContact CG1-CD1 4.03Å; I152-I156 HydrophobicContact CG1-CG1 4.41Å; I152-I156 VanDerWaalsContact O-CG1 3.26Å; I152-I156 WeakPolarHBondContact O-CG1 3.06Å; I152-I156 PolarHBondContact O-N 2.88Å; E153-I156 PolarHBondContact O-N 3.47Å; A154-I156 PolarHBondContact O-N 3.28Å; I156-M159 WeakPolarHBondContact O-CB 3.34Å; I156-M159 PolarHBondContact O-N 2.83Å; I156-L160 HydrophobicContact CG2-CD1 4.14Å; I156-L160 HydrophobicContact CG2-CG 4.3Å; I156-L160 VanDerWaalsContact O-CG 3.29Å; I156-L160 WeakPolarHBondContact O-CG 3.16Å; I156-L160 PolarHBondContact O-N 2.8Å |
| 157 | R | 89.8 | Confident | 85.4 | Confident | 105 Ų | 105 | 59.6 Ų | 59.6 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 179.2 | -173 | 179.4 | -177 | -155.3 | -1.7 | 111.6 | E153 A154 M159 L160 L161 E192 | E153-R157 WeakPolarHBondContact O-CB 3.38Å; E153-R157 PolarHBondContact O-N 2.84Å; A154-R157 PolarHBondContact O-N 2.77Å; R157-M159 VanDerWaalsContact C-N 3.3Å; R157-M159 PolarHBondContact O-N 2.85Å; R157-L160 WeakPolarHBondContact O-CB 3.31Å; R157-L160 PolarHBondContact O-N 2.86Å; R157-L160 VanDerWaalsContact O-N 3.16Å; R157-L161 HydrophobicContact CG-CD1 4.29Å; R157-L161 WeakPolarHBondContact O-CG 3.41Å; R157-L161 PolarHBondContact O-N 3.12Å; R157-E192 IonicContact CZ-OE2 2.66Å; R157-E192 IonicContact NE-OE2 3.01Å; R157-E192 IonicContact NH2-OE1 2.65Å; R157-E192 PolarHBondContact NH2-OE1 3.35Å; R157-E192 IonicContact NH2-OE2 3.98Å; R157-E192 PolarHBondContact NH2-OE2 2.92Å |
| 158 | D | 88.7 | Confident | 85.7 | Confident | 93 Ų | 93 | 55.6 Ų | 55.6 | 50% | 0.497 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 177.3 | -71.7 | -12.6 | 0 | 0 | 0 | 111 | A154 L161 Q162 | A154-D158 WeakPolarHBondContact O-CB 3.43Å; A154-D158 VanDerWaalsContact O-CG 3.31Å; A154-D158 PolarHBondContact O-N 3.05Å; D158-L161 PolarHBondContact O-N 3.43Å; D158-Q162 WeakPolarHBondContact O-CG 3.3Å; D158-Q162 PolarHBondContact O-N 2.88Å; D158-Q162 VanDerWaalsContact O-N 3.11Å |
| 159 | M | 87.7 | Confident | 86.2 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.03 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -45 | 173.4 | -171.9 | -174.2 | -57 | 0 | 0 | 111.8 | P68 I115 S116 P117 P138 Q155 I156 R157 L161 Q162 F163 | P68-M159 HydrophobicContact CG-CG 4.25Å; P68-M159 HydrophobicContact CG-SD 3.68Å; I115-M159 HydrophobicContact CB-CE 4.02Å; I115-M159 HydrophobicContact CD1-CE 3.7Å; I115-M159 HydrophobicContact CG1-CE 3.87Å; S116-M159 VanDerWaalsContact C-CE 3.47Å; P117-M159 HydrophobicContact CB-CE 4.23Å; P117-M159 HydrophobicContact CB-CG 4.32Å; P138-M159 HydrophobicContact CG-SD 3.7Å; Q155-M159 WeakPolarHBondContact O-CB 3.2Å; Q155-M159 PolarHBondContact O-N 3.37Å; I156-M159 WeakPolarHBondContact O-CB 3.34Å; I156-M159 PolarHBondContact O-N 2.83Å; R157-M159 VanDerWaalsContact C-N 3.3Å; R157-M159 PolarHBondContact O-N 2.85Å; M159-L161 VanDerWaalsContact C-N 3.34Å; M159-L161 PolarHBondContact O-N 3.34Å; M159-Q162 WeakPolarHBondContact O-CB 3.46Å; M159-Q162 PolarHBondContact O-N 2.74Å; M159-F163 VanDerWaalsContact O-CD2 3.3Å; M159-F163 WeakPolarHBondContact O-CD2 3.31Å |
| 160 | L | 89.5 | Confident | 86.7 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 175.5 | -69.3 | 173.6 | 0 | 0 | 0 | 110.8 | V37 L137 M140 I156 R157 Q162 F163 V164 I189 | V37-L160 HydrophobicContact CG1-CD1 4.29Å; V37-L160 HydrophobicContact CG1-CD2 4.39Å; L137-L160 HydrophobicContact CB-CD2 3.39Å; L137-L160 HydrophobicContact CD1-CD2 3.53Å; L137-L160 HydrophobicContact CG-CD2 4.01Å; M140-L160 HydrophobicContact CE-CD1 4.36Å; M140-L160 HydrophobicContact CG-CD1 3.71Å; M140-L160 HydrophobicContact SD-CD1 3.99Å; I156-L160 HydrophobicContact CG2-CD1 4.14Å; I156-L160 HydrophobicContact CG2-CG 4.3Å; I156-L160 VanDerWaalsContact O-CG 3.29Å; I156-L160 WeakPolarHBondContact O-CG 3.16Å; I156-L160 PolarHBondContact O-N 2.8Å; R157-L160 WeakPolarHBondContact O-CB 3.31Å; R157-L160 PolarHBondContact O-N 2.86Å; R157-L160 VanDerWaalsContact O-N 3.16Å; L160-Q162 VanDerWaalsContact C-N 3.26Å; L160-Q162 PolarHBondContact O-N 2.73Å; L160-F163 PolarHBondContact O-N 2.83Å; L160-V164 WeakPolarHBondContact O-CG2 3.49Å; L160-V164 PolarHBondContact O-N 3.14Å; L160-I189 HydrophobicContact CD1-CD1 3.56Å |
| 161 | L | 89.6 | Confident | 87.2 | Confident | 37 Ų | 37 | 48 Ų | 48 | 19% | 0.194 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.5 | -33.4 | -178.9 | -72.1 | 174.9 | 0 | 0 | 0 | 112.5 | R157 D158 M159 F163 V164 T165 V193 | R157-L161 HydrophobicContact CG-CD1 4.29Å; R157-L161 WeakPolarHBondContact O-CG 3.41Å; R157-L161 PolarHBondContact O-N 3.12Å; D158-L161 PolarHBondContact O-N 3.43Å; M159-L161 VanDerWaalsContact C-N 3.34Å; M159-L161 PolarHBondContact O-N 3.34Å; L161-F163 PolarHBondContact O-N 3.4Å; L161-V164 HydrophobicContact CD2-CG2 4.23Å; L161-T165 HydrophobicContact CB-CG2 4.15Å; L161-T165 HydrophobicContact CD2-CG2 3.99Å; L161-T165 VanDerWaalsContact O-CB 3.29Å; L161-T165 WeakPolarHBondContact O-CB 2.92Å; L161-T165 WeakPolarHBondContact O-CG2 3.45Å; L161-T165 PolarHBondContact O-N 3.41Å; L161-T165 VanDerWaalsContact O-N 3.12Å; L161-T165 PolarHBondContact O-OG1 3.09Å; L161-V193 HydrophobicContact CD2-CG1 3.75Å |
| 162 | Q | 85.8 | Confident | 87.6 | Confident | 109 Ų | 109 | 44.2 Ų | 44.2 | 51% | 0.509 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.8 | -29.4 | 174 | -69.7 | 170.3 | 21.4 | 0 | 0 | 113.5 | D158 M159 L160 K166 | D158-Q162 WeakPolarHBondContact O-CG 3.3Å; D158-Q162 PolarHBondContact O-N 2.88Å; D158-Q162 VanDerWaalsContact O-N 3.11Å; M159-Q162 WeakPolarHBondContact O-CB 3.46Å; M159-Q162 PolarHBondContact O-N 2.74Å; L160-Q162 VanDerWaalsContact C-N 3.26Å; L160-Q162 PolarHBondContact O-N 2.73Å; Q162-K166 WeakPolarHBondContact O-CE 3.4Å |
| 163 | F | 85.4 | Confident | 88.1 | Confident | 27 Ų | 27 | 44.2 Ų | 44.2 | 12% | 0.118 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -94.5 | -46.1 | 177.9 | -68.2 | -94.1 | 0 | 0 | 0 | 112 | P68 V135 L137 M159 L160 L161 C169 | P68-F163 HydrophobicContact CB-CE2 4.26Å; P68-F163 HydrophobicContact CB-CZ 3.95Å; P68-F163 HydrophobicContact CG-CE2 3.92Å; P68-F163 HydrophobicContact CG-CZ 4.03Å; V135-F163 HydrophobicContact CG1-CD1 4.02Å; V135-F163 HydrophobicContact CG1-CE1 3.96Å; L137-F163 HydrophobicContact CD1-CB 4.1Å; L137-F163 HydrophobicContact CD1-CG 4.41Å; L137-F163 HydrophobicContact CD2-CD1 4.46Å; L137-F163 HydrophobicContact CD2-CD2 3.64Å; L137-F163 HydrophobicContact CD2-CE2 3.89Å; L137-F163 HydrophobicContact CD2-CG 3.97Å; L137-F163 HydrophobicContact CD2-CZ 4.41Å; M159-F163 VanDerWaalsContact O-CD2 3.3Å; M159-F163 WeakPolarHBondContact O-CD2 3.31Å; L160-F163 PolarHBondContact O-N 2.83Å; L161-F163 PolarHBondContact O-N 3.4Å; F163-C169 WeakPolarHBondContact O-CB 3.38Å |
| 164 | V | 89.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -85.6 | -15.9 | -167.6 | -54.6 | 0 | 0 | 0 | 0 | 114.6 | A35 V37 L137 L160 L161 K166 M171 I189 V193 R199 | A35-V164 HydrophobicContact CB-CG1 4.15Å; V37-V164 HydrophobicContact CG2-CG1 3.74Å; L137-V164 HydrophobicContact CD1-CG1 4.49Å; L160-V164 WeakPolarHBondContact O-CG2 3.49Å; L160-V164 PolarHBondContact O-N 3.14Å; L161-V164 HydrophobicContact CD2-CG2 4.23Å; V164-K166 PolarHBondContact O-N 3.29Å; V164-M171 HydrophobicContact CB-CE 3.94Å; V164-M171 HydrophobicContact CB-CG 4.29Å; V164-M171 HydrophobicContact CB-SD 3.99Å; V164-M171 HydrophobicContact CG1-CE 3.99Å; V164-M171 HydrophobicContact CG1-CG 4.32Å; V164-M171 HydrophobicContact CG1-SD 4.45Å; V164-M171 HydrophobicContact CG2-CE 4.32Å; V164-I189 HydrophobicContact CG2-CG2 3.92Å; V164-V193 HydrophobicContact CB-CG2 4.29Å; V164-V193 HydrophobicContact CG2-CG1 4.2Å; V164-V193 HydrophobicContact CG2-CG2 4.02Å; V164-R199 VanDerWaalsContact O-CZ 3.26Å; V164-R199 PolarHBondContact O-NH1 3.28Å; V164-R199 PolarHBondContact O-NH2 3.36Å |
| 165 | T | 89.6 | Confident | 88.7 | Confident | 77 Ų | 77 | 37.1 Ų | 37.1 | 47% | 0.472 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -21.5 | 173.7 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | L161 E167 V193 | L161-T165 HydrophobicContact CB-CG2 4.15Å; L161-T165 HydrophobicContact CD2-CG2 3.99Å; L161-T165 VanDerWaalsContact O-CB 3.29Å; L161-T165 WeakPolarHBondContact O-CB 2.92Å; L161-T165 WeakPolarHBondContact O-CG2 3.45Å; L161-T165 PolarHBondContact O-N 3.41Å; L161-T165 VanDerWaalsContact O-N 3.12Å; L161-T165 PolarHBondContact O-OG1 3.09Å; T165-E167 PolarHBondContact O-N 3.17Å; T165-V193 HydrophobicContact CG2-CG1 4.11Å |
| 166 | K | 85.3 | Confident | 89 | Confident | 52 Ų | 52 | 35.1 Ų | 35.1 | 23% | 0.226 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -63.8 | 123.6 | 176.7 | -60.8 | -177.1 | 172.5 | -154.5 | 0 | 109.9 | N28 D30 Q162 V164 N168 C169 R199 | N28-K166 PolarHBondContact OD1-NZ 2.88Å; N28-K166 VanDerWaalsContact OD1-NZ 3.08Å; D30-K166 WeakPolarHBondContact OD1-CD 3.39Å; D30-K166 IonicContact OD1-NZ 2.6Å; D30-K166 PolarHBondContact OD1-NZ 2.89Å; Q162-K166 WeakPolarHBondContact O-CE 3.4Å; V164-K166 PolarHBondContact O-N 3.29Å; K166-N168 PolarHBondContact O-N 2.93Å; K166-C169 HydrophobicContact CB-CB 4.22Å; K166-C169 VanDerWaalsContact O-CB 3.3Å; K166-C169 WeakPolarHBondContact O-CB 3.42Å; K166-C169 PolarHBondContact O-N 2.67Å; K166-R199 PolarHBondContact O-NH1 3.03Å |
| 167 | E | 81.8 | Confident | 89.2 | Confident | 164 Ų | 164 | 35.7 Ų | 35.7 | 77% | 0.766 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -31.3 | -179.2 | -63.9 | -175.2 | 170.6 | 0 | 0 | 112.4 | T165 C169 | T165-E167 PolarHBondContact O-N 3.17Å; E167-C169 VanDerWaalsContact C-N 3.26Å; E167-C169 PolarHBondContact O-N 2.98Å |
| 168 | N | 79.5 | Confident | 89.1 | Confident | 39 Ų | 39 | 34.9 Ų | 34.9 | 21% | 0.209 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 3.8 | 178.8 | -60.8 | -16.5 | 0 | 0 | 0 | 113.4 | D30 P32 K166 H288 T292 | D30-N168 HydrophobicContact CB-CB 4.19Å; D30-N168 VanDerWaalsContact O-CB 3.3Å; D30-N168 WeakPolarHBondContact O-CB 3.42Å; D30-N168 PolarHBondContact O-ND2 3.33Å; P32-N168 WeakPolarHBondContact CA-O 3.35Å; K166-N168 PolarHBondContact O-N 2.93Å; N168-H288 WeakPolarHBondContact CA-NE2 3.19Å; N168-H288 PolarHBondContact O-CD2 3.3Å; N168-H288 PolarHBondContact O-NE2 3.03Å; N168-T292 HydrophobicContact CB-CG2 4.34Å; N168-T292 VanDerWaalsContact OD1-CG2 3.23Å; N168-T292 WeakPolarHBondContact OD1-CG2 3.44Å |
| 169 | C | 86.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 120.3 | 176.7 | -170.6 | 0 | 0 | 0 | 0 | 111.6 | Q33 A35 F163 K166 E167 R199 | Q33-C169 HydrophobicContact CG-CB 4.41Å; A35-C169 WeakPolarHBondContact CB-SG 3.37Å; F163-C169 WeakPolarHBondContact O-CB 3.38Å; K166-C169 HydrophobicContact CB-CB 4.22Å; K166-C169 VanDerWaalsContact O-CB 3.3Å; K166-C169 WeakPolarHBondContact O-CB 3.42Å; K166-C169 PolarHBondContact O-N 2.67Å; E167-C169 VanDerWaalsContact C-N 3.26Å; E167-C169 PolarHBondContact O-N 2.98Å; C169-R199 WeakPolarHBondContact O-CD 3.31Å; C169-R199 PolarHBondContact O-NH1 3.39Å |
| 170 | L | 89.5 | Confident | 88.6 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 137.3 | 165.2 | -67 | 177.3 | 0 | 0 | 0 | 109.4 | Q33 I34 A35 R199 Q284 H288 | Q33-L170 PolarHBondContact O-N 3.47Å; I34-L170 CarbonylContact C-O 3.39Å; I34-L170 WeakPolarHBondContact CA-O 3.42Å; I34-L170 HydrophobicContact CG1-CB 4.19Å; I34-L170 HydrophobicContact CG1-CD1 4.27Å; A35-L170 PolarHBondContact N-O 2.92Å; L170-R199 WeakPolarHBondContact CA-O 3.44Å; L170-R199 HydrophobicContact CD2-CB 4Å; L170-Q284 HydrophobicContact CD1-CB 4.32Å; L170-H288 HydrophobicContact CD1-CB 4.07Å; L170-H288 HydrophobicContact CD2-CB 4.36Å; L170-H288 HydrophobicContact CG-CB 4.36Å |
| 171 | M | 92.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 122.7 | -179.6 | -63.2 | -179.2 | 64.9 | 0 | 0 | 110.2 | V37 V164 I189 A190 V193 R199 T200 I201 | V37-M171 HydrophobicContact CG2-CE 4.31Å; V164-M171 HydrophobicContact CB-CE 3.94Å; V164-M171 HydrophobicContact CB-CG 4.29Å; V164-M171 HydrophobicContact CB-SD 3.99Å; V164-M171 HydrophobicContact CG1-CE 3.99Å; V164-M171 HydrophobicContact CG1-CG 4.32Å; V164-M171 HydrophobicContact CG1-SD 4.45Å; V164-M171 HydrophobicContact CG2-CE 4.32Å; M171-I189 HydrophobicContact CE-CG2 4.19Å; M171-A190 VanDerWaalsContact CE-CA 3.5Å; M171-A190 HydrophobicContact CE-CB 3.76Å; M171-A190 HydrophobicContact SD-CB 4.36Å; M171-V193 HydrophobicContact CE-CG2 3.97Å; M171-V193 HydrophobicContact SD-CG2 3.41Å; M171-V193 WeakPolarHBondContact SD-CG2 3.29Å; M171-R199 PolarHBondContact N-O 3.29Å; M171-T200 HydrophobicContact CB-CG2 4.49Å; M171-T200 WeakPolarHBondContact O-CA 3.41Å; M171-I201 PolarHBondContact O-N 2.93Å |
| 172 | L | 93.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 96 | 170.1 | -166.4 | 65.3 | 0 | 0 | 0 | 108.8 | I34 A35 V36 V37 V174 I201 V203 L277 L281 | I34-L172 HydrophobicContact CG2-CB 4.01Å; A35-L172 PolarHBondContact O-N 3.45Å; V36-L172 HydrophobicContact CG1-CD2 4.41Å; V36-L172 HydrophobicContact CG2-CB 4.37Å; V36-L172 HydrophobicContact CG2-CD2 4.07Å; V37-L172 PolarHBondContact N-O 3.07Å; L172-V174 HydrophobicContact CG-CG2 4.33Å; L172-V174 PolarHBondContact O-N 3.01Å; L172-I201 HydrophobicContact CD1-CB 3.98Å; L172-I201 HydrophobicContact CD1-CG2 3.89Å; L172-V203 HydrophobicContact CD1-CG2 3.34Å; L172-V203 HydrophobicContact CD2-CG2 4.4Å; L172-V203 HydrophobicContact CG-CG2 3.85Å; L172-L277 HydrophobicContact CD1-CD1 4.35Å; L172-L281 HydrophobicContact CD1-CD1 4.47Å; L172-L281 HydrophobicContact CD1-CD2 3.74Å; L172-L281 HydrophobicContact CD2-CD1 4.19Å |
| 173 | A | 94.6 | Very high | 87.6 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 98.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | A186 L187 T200 I201 V203 | A173-A186 HydrophobicContact CB-CB 4.1Å; A173-L187 HydrophobicContact CB-CD2 3.94Å; A173-T200 HydrophobicContact CB-CG2 4.02Å; A173-I201 PolarHBondContact N-O 2.86Å; A173-V203 PolarHBondContact O-N 3.29Å |
| 174 | V | 94.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 118.3 | -176.6 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | V36 V37 A42 K44 L172 V203 T205 | V36-V174 HydrophobicContact CG1-CG2 3.69Å; V37-V174 PolarHBondContact O-N 3.46Å; A42-V174 HydrophobicContact CB-CG1 4.32Å; A42-V174 WeakPolarHBondContact O-CG1 3.35Å; K44-V174 HydrophobicContact CG-CB 4.18Å; K44-V174 HydrophobicContact CG-CG1 4.47Å; K44-V174 HydrophobicContact CG-CG2 4.32Å; L172-V174 HydrophobicContact CG-CG2 4.33Å; L172-V174 PolarHBondContact O-N 3.01Å; V174-V203 WeakPolarHBondContact CA-O 3.5Å; V174-V203 HydrophobicContact CG2-CB 4.32Å; V174-T205 HydrophobicContact CG1-CG2 3.52Å |
| 175 | S | 93.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 137.6 | 179.3 | -54.6 | 0 | 0 | 0 | 0 | 110.8 | S184 V203 I204 T205 | S175-S184 PolarHBondContact OG-OG 3.5Å; S175-V203 PolarHBondContact N-O 2.78Å; S175-I204 CarbonylContact O-C 3.57Å; S175-I204 VanDerWaalsContact O-CA 3.3Å; S175-I204 WeakPolarHBondContact O-CA 3.41Å; S175-T205 PolarHBondContact O-N 3.06Å |
| 176 | P | 93.1 | Very high | 87.6 | Confident | 25 Ų | 25 | 35.7 Ų | 35.7 | 16% | 0.162 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 141.2 | 176.3 | 32 | -29 | 0 | 0 | 0 | 111.4 | N178 S179 T205 K206 | P176-N178 VanDerWaalsContact C-N 3.31Å; P176-N178 WeakPolarHBondContact CB-OD1 3.27Å; P176-N178 PolarHBondContact O-N 2.89Å; P176-S179 WeakPolarHBondContact CG-OG 3.16Å; P176-S179 PolarHBondContact O-N 2.98Å; P176-S179 PolarHBondContact O-OG 3.46Å; P176-T205 WeakPolarHBondContact CA-OG1 3.34Å; P176-K206 HydrophobicContact CB-CB 4.48Å; P176-K206 HydrophobicContact CB-CD 3.91Å; P176-K206 HydrophobicContact CB-CG 4.34Å |
| 177 | A | 91.7 | Very high | 87.9 | Confident | 11 Ų | 11 | 33.5 Ų | 33.5 | 9% | 0.091 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -25.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S179 I204 T205 L207 M210 | A177-S179 PolarHBondContact O-N 3.25Å; A177-I204 HydrophobicContact CB-CG2 3.67Å; A177-T205 VanDerWaalsContact CB-O 3.26Å; A177-T205 WeakPolarHBondContact CB-O 3.46Å; A177-T205 PolarHBondContact N-O 2.6Å; A177-L207 HydrophobicContact CB-CD2 3.62Å; A177-L207 HydrophobicContact CB-CG 4.05Å; A177-M210 HydrophobicContact CB-CG 3.8Å; A177-M210 HydrophobicContact CB-SD 3.7Å |
| 178 | N | 88.1 | Confident | 88.3 | Confident | 88 Ų | 88 | 30.4 Ų | 30.4 | 47% | 0.471 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 11.2 | 178 | 72.9 | -27 | 0 | 0 | 0 | 113.4 | P176 | P176-N178 VanDerWaalsContact C-N 3.31Å; P176-N178 WeakPolarHBondContact CB-OD1 3.27Å; P176-N178 PolarHBondContact O-N 2.89Å |
| 179 | S | 85.1 | Confident | 88.8 | Confident | 52 Ų | 52 | 28.9 Ų | 28.9 | 36% | 0.364 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -128.3 | 148.1 | 174.7 | 71 | 0 | 0 | 0 | 0 | 109.9 | P176 A177 L181 | P176-S179 WeakPolarHBondContact CG-OG 3.16Å; P176-S179 PolarHBondContact O-N 2.98Å; P176-S179 PolarHBondContact O-OG 3.46Å; A177-S179 PolarHBondContact O-N 3.25Å; S179-L181 PolarHBondContact O-N 3.06Å |
| 180 | D | 82.1 | Confident | 89 | Confident | 94 Ų | 94 | 29 Ų | 29 | 50% | 0.503 | 17% | 0.169 | S | C | . | . | trans | -61.8 | 124.4 | 176.5 | -179.7 | 12.1 | 0 | 0 | 0 | 111 | A182 N183 | D180-A182 PolarHBondContact O-N 2.88Å; D180-A182 PolarHBondContact OD1-N 3.4Å; D180-A182 VanDerWaalsContact OD1-N 3.14Å; D180-N183 PolarHBondContact O-N 2.62Å | ||
| 181 | L | 80.9 | Confident | 88.9 | Confident | 9 Ų | 9 | 33.4 Ų | 33.4 | 5% | 0.047 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -60.4 | -31.7 | -178.3 | -164.6 | 72.3 | 0 | 0 | 0 | 112.2 | S179 N183 S184 L187 I204 I219 L224 L225 Y231 | S179-L181 PolarHBondContact O-N 3.06Å; L181-N183 PolarHBondContact O-N 3.16Å; L181-S184 WeakPolarHBondContact O-CB 3.49Å; L181-S184 PolarHBondContact O-N 3.08Å; L181-L187 HydrophobicContact CD1-CD1 3.4Å; L181-L187 VanDerWaalsContact CD1-CD1 3.4Å; L181-L187 HydrophobicContact CD2-CD1 4.08Å; L181-L187 HydrophobicContact CG-CD1 3.54Å; L181-I204 HydrophobicContact CD1-CD1 3.86Å; L181-I219 HydrophobicContact CB-CD1 4.03Å; L181-I219 HydrophobicContact CD1-CG2 4.44Å; L181-I219 HydrophobicContact CD2-CB 4.41Å; L181-I219 HydrophobicContact CD2-CD1 4.09Å; L181-I219 HydrophobicContact CD2-CG1 3.98Å; L181-I219 HydrophobicContact CD2-CG2 3.67Å; L181-I219 HydrophobicContact CG-CD1 4.47Å; L181-L224 HydrophobicContact CB-CD2 4.37Å; L181-L224 HydrophobicContact CD2-CD2 4.22Å; L181-L225 HydrophobicContact CD2-CB 4.16Å; L181-Y231 HydrophobicContact CD2-CE1 4.49Å |
| 182 | A | 78.9 | Confident | 88.8 | Confident | 71 Ų | 71 | 38.3 Ų | 38.3 | 59% | 0.587 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -62.2 | -24 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D180 | D180-A182 PolarHBondContact O-N 2.88Å; D180-A182 PolarHBondContact OD1-N 3.4Å; D180-A182 VanDerWaalsContact OD1-N 3.14Å |
| 183 | N | 83.6 | Confident | 88.7 | Confident | 96 Ų | 96 | 39.8 Ų | 39.8 | 51% | 0.513 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -94.1 | 1.5 | 177.2 | -70.4 | -49.8 | 0 | 0 | 0 | 113.7 | D180 L181 D185 | D180-N183 PolarHBondContact O-N 2.62Å; L181-N183 PolarHBondContact O-N 3.16Å; N183-D185 PolarHBondContact O-N 3.28Å; N183-D185 VanDerWaalsContact O-N 3.16Å |
| 184 | S | 88.1 | Confident | 88.6 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | trans | -63.8 | 114.3 | 179.6 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | S175 L181 A186 L187 K188 | S175-S184 PolarHBondContact OG-OG 3.5Å; L181-S184 WeakPolarHBondContact O-CB 3.49Å; L181-S184 PolarHBondContact O-N 3.08Å; S184-A186 PolarHBondContact O-N 2.92Å; S184-A186 PolarHBondContact OG-N 3.07Å; S184-L187 PolarHBondContact O-N 3.14Å; S184-L187 PolarHBondContact OG-N 3.46Å; S184-K188 WeakPolarHBondContact O-CG 3.35Å; S184-K188 PolarHBondContact O-N 3.4Å; S184-K188 VanDerWaalsContact O-N 3.14Å | ||
| 185 | D | 86.5 | Confident | 88.3 | Confident | 35 Ų | 35 | 45.3 Ų | 45.3 | 19% | 0.187 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -28.9 | 176.7 | -54.1 | -41.8 | 0 | 0 | 0 | 110.9 | M140 K142 N183 K188 I189 | M140-D185 HydrophobicContact CB-CB 4.5Å; M140-D185 HydrophobicContact CE-CB 3.42Å; M140-D185 VanDerWaalsContact CE-CB 3.42Å; M140-D185 HydrophobicContact SD-CB 3.6Å; M140-D185 VanDerWaalsContact SD-CB 3.6Å; K142-D185 WeakPolarHBondContact CE-OD1 3.42Å; K142-D185 WeakPolarHBondContact CE-OD2 3.37Å; K142-D185 IonicContact NZ-OD1 3.28Å; K142-D185 PolarHBondContact NZ-OD1 3.28Å; K142-D185 IonicContact NZ-OD2 2.75Å; K142-D185 PolarHBondContact NZ-OD2 3.31Å; N183-D185 PolarHBondContact O-N 3.28Å; N183-D185 VanDerWaalsContact O-N 3.16Å; D185-K188 PolarHBondContact O-N 3.29Å; D185-K188 IonicContact OD1-NZ 3.56Å; D185-I189 PolarHBondContact O-N 3Å; D185-I189 VanDerWaalsContact O-N 3.17Å |
| 186 | A | 90.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A173 S184 A190 | A173-A186 HydrophobicContact CB-CB 4.1Å; S184-A186 PolarHBondContact O-N 2.92Å; S184-A186 PolarHBondContact OG-N 3.07Å; A186-A190 WeakPolarHBondContact O-CB 3.39Å; A186-A190 PolarHBondContact O-N 3.5Å |
| 187 | L | 90.3 | Very high | 87.4 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -77.1 | -28.3 | -177.8 | -69 | 168.2 | 0 | 0 | 0 | 112.2 | A173 L181 S184 A190 K191 L225 L227 Y231 | A173-L187 HydrophobicContact CB-CD2 3.94Å; L181-L187 HydrophobicContact CD1-CD1 3.4Å; L181-L187 VanDerWaalsContact CD1-CD1 3.4Å; L181-L187 HydrophobicContact CD2-CD1 4.08Å; L181-L187 HydrophobicContact CG-CD1 3.54Å; S184-L187 PolarHBondContact O-N 3.14Å; S184-L187 PolarHBondContact OG-N 3.46Å; L187-A190 PolarHBondContact O-N 3.12Å; L187-K191 WeakPolarHBondContact O-CB 3.35Å; L187-K191 WeakPolarHBondContact O-CG 2.78Å; L187-K191 PolarHBondContact O-N 3.05Å; L187-L225 HydrophobicContact CB-CD2 4.21Å; L187-L225 HydrophobicContact CD1-CD2 3.83Å; L187-L225 HydrophobicContact CD2-CD2 4.25Å; L187-L225 HydrophobicContact CG-CD2 4.33Å; L187-L227 HydrophobicContact CD2-CD1 4.12Å; L187-Y231 HydrophobicContact CD1-CE1 4.5Å; L187-Y231 HydrophobicContact CD2-CE1 4.49Å |
| 188 | K | 89.6 | Confident | 87 | Confident | 99 Ų | 99 | 53.7 Ų | 53.7 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.6 | -50.2 | 171.7 | -72.8 | 172.9 | -173.9 | 168.3 | 0 | 111.3 | S184 D185 A190 K191 E192 | S184-K188 WeakPolarHBondContact O-CG 3.35Å; S184-K188 PolarHBondContact O-N 3.4Å; S184-K188 VanDerWaalsContact O-N 3.14Å; D185-K188 PolarHBondContact O-N 3.29Å; D185-K188 IonicContact OD1-NZ 3.56Å; K188-A190 VanDerWaalsContact C-N 3.34Å; K188-A190 PolarHBondContact O-N 3.02Å; K188-K191 PolarHBondContact O-N 3.09Å; K188-E192 PolarHBondContact O-N 2.78Å; K188-E192 VanDerWaalsContact O-N 3.09Å |
| 189 | I | 90.3 | Very high | 87.1 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 175.4 | -67.7 | -175.6 | 0 | 0 | 0 | 110.3 | M140 L160 V164 M171 D185 K191 E192 V193 | M140-I189 HydrophobicContact CE-CD1 3.94Å; M140-I189 HydrophobicContact SD-CD1 3.29Å; M140-I189 WeakPolarHBondContact SD-CD1 3.36Å; M140-I189 HydrophobicContact SD-CG1 4.15Å; L160-I189 HydrophobicContact CD1-CD1 3.56Å; V164-I189 HydrophobicContact CG2-CG2 3.92Å; M171-I189 HydrophobicContact CE-CG2 4.19Å; D185-I189 PolarHBondContact O-N 3Å; D185-I189 VanDerWaalsContact O-N 3.17Å; I189-K191 VanDerWaalsContact C-N 3.33Å; I189-K191 PolarHBondContact O-N 3.08Å; I189-E192 WeakPolarHBondContact O-CB 3.41Å; I189-E192 PolarHBondContact O-N 3.32Å; I189-E192 VanDerWaalsContact O-N 3.12Å; I189-V193 WeakPolarHBondContact O-CG2 3.26Å; I189-V193 PolarHBondContact O-N 3.16Å; I189-V193 VanDerWaalsContact O-N 3.17Å |
| 190 | A | 91.1 | Very high | 87.5 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.6 | -43.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | M171 A186 L187 K188 E192 V193 D194 T200 | M171-A190 VanDerWaalsContact CE-CA 3.5Å; M171-A190 HydrophobicContact CE-CB 3.76Å; M171-A190 HydrophobicContact SD-CB 4.36Å; A186-A190 WeakPolarHBondContact O-CB 3.39Å; A186-A190 PolarHBondContact O-N 3.5Å; L187-A190 PolarHBondContact O-N 3.12Å; K188-A190 VanDerWaalsContact C-N 3.34Å; K188-A190 PolarHBondContact O-N 3.02Å; A190-E192 VanDerWaalsContact C-N 3.33Å; A190-E192 PolarHBondContact O-N 3.34Å; A190-V193 PolarHBondContact O-N 3.03Å; A190-D194 CarbonylContact O-C 3.56Å; A190-D194 VanDerWaalsContact O-CA 3.26Å; A190-D194 WeakPolarHBondContact O-CA 3.45Å; A190-D194 WeakPolarHBondContact O-CB 3.41Å; A190-D194 PolarHBondContact O-N 2.83Å; A190-T200 HydrophobicContact CB-CG2 3.68Å |
| 191 | K | 88.6 | Confident | 88 | Confident | 91 Ų | 91 | 43.8 Ų | 43.8 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.5 | -30.8 | 176.2 | -79.2 | -173.3 | 170.6 | -167 | 0 | 114.2 | L187 K188 I189 P195 | L187-K191 WeakPolarHBondContact O-CB 3.35Å; L187-K191 WeakPolarHBondContact O-CG 2.78Å; L187-K191 PolarHBondContact O-N 3.05Å; K188-K191 PolarHBondContact O-N 3.09Å; I189-K191 VanDerWaalsContact C-N 3.33Å; I189-K191 PolarHBondContact O-N 3.08Å; K191-P195 WeakPolarHBondContact O-CA 3.41Å; K191-P195 WeakPolarHBondContact O-CG 3.49Å |
| 192 | E | 90.6 | Very high | 88.6 | Confident | 104 Ų | 104 | 43.4 Ų | 43.4 | 49% | 0.486 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.6 | -40.5 | 177.3 | -175.9 | 175.8 | -170.2 | 0 | 0 | 111.4 | R157 K188 I189 A190 | R157-E192 IonicContact CZ-OE2 2.66Å; R157-E192 IonicContact NE-OE2 3.01Å; R157-E192 IonicContact NH2-OE1 2.65Å; R157-E192 PolarHBondContact NH2-OE1 3.35Å; R157-E192 IonicContact NH2-OE2 3.98Å; R157-E192 PolarHBondContact NH2-OE2 2.92Å; K188-E192 PolarHBondContact O-N 2.78Å; K188-E192 VanDerWaalsContact O-N 3.09Å; I189-E192 WeakPolarHBondContact O-CB 3.41Å; I189-E192 PolarHBondContact O-N 3.32Å; I189-E192 VanDerWaalsContact O-N 3.12Å; A190-E192 VanDerWaalsContact C-N 3.33Å; A190-E192 PolarHBondContact O-N 3.34Å |
| 193 | V | 91.4 | Very high | 89.4 | Confident | 31 Ų | 31 | 40 Ų | 40 | 19% | 0.188 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -103.5 | -15.5 | -175.1 | -54.3 | 0 | 0 | 0 | 0 | 114.6 | L161 V164 T165 M171 I189 A190 R199 | L161-V193 HydrophobicContact CD2-CG1 3.75Å; V164-V193 HydrophobicContact CB-CG2 4.29Å; V164-V193 HydrophobicContact CG2-CG1 4.2Å; V164-V193 HydrophobicContact CG2-CG2 4.02Å; T165-V193 HydrophobicContact CG2-CG1 4.11Å; M171-V193 HydrophobicContact CE-CG2 3.97Å; M171-V193 HydrophobicContact SD-CG2 3.41Å; M171-V193 WeakPolarHBondContact SD-CG2 3.29Å; I189-V193 WeakPolarHBondContact O-CG2 3.26Å; I189-V193 PolarHBondContact O-N 3.16Å; I189-V193 VanDerWaalsContact O-N 3.17Å; A190-V193 PolarHBondContact O-N 3.03Å; V193-R199 PolarHBondContact O-NH2 3.32Å |
| 194 | D | 91.4 | Very high | 90 | Very high | 12 Ų | 12 | 35.5 Ų | 35.5 | 6% | 0.064 | 18% | 0.178 | C | C | . | . | trans | -141.3 | 69.3 | 178 | 179.6 | 27.3 | 0 | 0 | 0 | 110.4 | A190 Q196 G197 M198 R199 T200 | A190-D194 CarbonylContact O-C 3.56Å; A190-D194 VanDerWaalsContact O-CA 3.26Å; A190-D194 WeakPolarHBondContact O-CA 3.45Å; A190-D194 WeakPolarHBondContact O-CB 3.41Å; A190-D194 PolarHBondContact O-N 2.83Å; D194-Q196 PolarHBondContact O-N 3.19Å; D194-Q196 VanDerWaalsContact O-N 3.15Å; D194-G197 PolarHBondContact O-N 3.4Å; D194-G197 PolarHBondContact OD1-N 2.82Å; D194-G197 VanDerWaalsContact OD2-CA 3.26Å; D194-G197 WeakPolarHBondContact OD2-CA 3.4Å; D194-M198 VanDerWaalsContact CG-N 3.29Å; D194-M198 PolarHBondContact OD1-N 2.93Å; D194-M198 PolarHBondContact OD2-N 3.2Å; D194-R199 HydrophobicContact CB-CG 4.02Å; D194-R199 WeakPolarHBondContact OD2-CG 3.46Å; D194-R199 PolarHBondContact OD2-N 3.26Å; D194-T200 WeakPolarHBondContact OD2-CB 3.37Å; D194-T200 PolarHBondContact OD2-N 3.24Å; D194-T200 VanDerWaalsContact OD2-N 3.08Å; D194-T200 PolarHBondContact OD2-OG1 3.29Å | ||
| 195 | P | 88.1 | Confident | 90.3 | Very high | 106 Ų | 106 | 35 Ų | 35 | 69% | 0.688 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -30.2 | -175.5 | -23.9 | 32.9 | 0 | 0 | 0 | 114.1 | K191 G197 | K191-P195 WeakPolarHBondContact O-CA 3.41Å; K191-P195 WeakPolarHBondContact O-CG 3.49Å; P195-G197 VanDerWaalsContact C-N 3.33Å |
| 196 | Q | 82.7 | Confident | 90.6 | Very high | 158 Ų | 158 | 36.1 Ų | 36.1 | 74% | 0.738 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -3 | 179.6 | -66.7 | 179.4 | -4.5 | 0 | 0 | 113 | D194 M198 | D194-Q196 PolarHBondContact O-N 3.19Å; D194-Q196 VanDerWaalsContact O-N 3.15Å; Q196-M198 HydrophobicContact CB-CG 3.64Å; Q196-M198 HydrophobicContact CB-SD 4.49Å; Q196-M198 PolarHBondContact O-N 3.1Å |
| 197 | G | 85.6 | Confident | 90.7 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 4% | 0.041 | 18% | 0.179 | C | C | . | . | trans | 61.2 | 28.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D194 P195 R228 | D194-G197 PolarHBondContact O-N 3.4Å; D194-G197 PolarHBondContact OD1-N 2.82Å; D194-G197 VanDerWaalsContact OD2-CA 3.26Å; D194-G197 WeakPolarHBondContact OD2-CA 3.4Å; P195-G197 VanDerWaalsContact C-N 3.33Å; G197-R228 VanDerWaalsContact O-CB 3.22Å; G197-R228 WeakPolarHBondContact O-CB 3.39Å; G197-R228 PolarHBondContact O-N 3.29Å | ||
| 198 | M | 83.8 | Confident | 90.7 | Very high | 51 Ų | 51 | 39.1 Ų | 39.1 | 25% | 0.251 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -71.4 | -30.4 | -173.1 | -71.6 | -67.4 | -59.6 | 0 | 0 | 113.5 | D194 Q196 R228 R229 | D194-M198 VanDerWaalsContact CG-N 3.29Å; D194-M198 PolarHBondContact OD1-N 2.93Å; D194-M198 PolarHBondContact OD2-N 3.2Å; Q196-M198 HydrophobicContact CB-CG 3.64Å; Q196-M198 HydrophobicContact CB-SD 4.49Å; Q196-M198 PolarHBondContact O-N 3.1Å; M198-R228 WeakPolarHBondContact SD-CD 3.48Å; M198-R228 PolarHBondContact SD-NH1 2.97Å; M198-R229 PolarHBondContact O-NE 3.13Å; M198-R229 PolarHBondContact O-NH2 2.95Å |
| 199 | R | 90.1 | Very high | 90.7 | Very high | 25 Ų | 25 | 39 Ų | 39 | 9% | 0.094 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -127.1 | 10.7 | -173.8 | 58.2 | -173.4 | -177.1 | 90.8 | 1 | 112.3 | V164 K166 C169 L170 M171 V193 D194 | V164-R199 VanDerWaalsContact O-CZ 3.26Å; V164-R199 PolarHBondContact O-NH1 3.28Å; V164-R199 PolarHBondContact O-NH2 3.36Å; K166-R199 PolarHBondContact O-NH1 3.03Å; C169-R199 WeakPolarHBondContact O-CD 3.31Å; C169-R199 PolarHBondContact O-NH1 3.39Å; L170-R199 WeakPolarHBondContact CA-O 3.44Å; L170-R199 HydrophobicContact CD2-CB 4Å; M171-R199 PolarHBondContact N-O 3.29Å; V193-R199 PolarHBondContact O-NH2 3.32Å; D194-R199 HydrophobicContact CB-CG 4.02Å; D194-R199 WeakPolarHBondContact OD2-CG 3.46Å; D194-R199 PolarHBondContact OD2-N 3.26Å |
| 200 | T | 92.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 129.3 | 178.6 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | M171 A173 A190 D194 L227 R229 | M171-T200 HydrophobicContact CB-CG2 4.49Å; M171-T200 WeakPolarHBondContact O-CA 3.41Å; A173-T200 HydrophobicContact CB-CG2 4.02Å; A190-T200 HydrophobicContact CB-CG2 3.68Å; D194-T200 WeakPolarHBondContact OD2-CB 3.37Å; D194-T200 PolarHBondContact OD2-N 3.24Å; D194-T200 VanDerWaalsContact OD2-N 3.08Å; D194-T200 PolarHBondContact OD2-OG1 3.29Å; T200-L227 HydrophobicContact CG2-CD1 4.13Å; T200-L227 HydrophobicContact CG2-CD2 4.11Å; T200-R229 WeakPolarHBondContact O-CB 3.46Å |
| 201 | I | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 122.2 | 173.9 | -58.2 | 171 | 0 | 0 | 0 | 107.7 | M171 L172 A173 R229 L281 Q284 | M171-I201 PolarHBondContact O-N 2.93Å; L172-I201 HydrophobicContact CD1-CB 3.98Å; L172-I201 HydrophobicContact CD1-CG2 3.89Å; A173-I201 PolarHBondContact N-O 2.86Å; I201-R229 HydrophobicContact CG1-CB 3.85Å; I201-R229 HydrophobicContact CG1-CG 4.33Å; I201-L281 HydrophobicContact CD1-CD2 3.56Å; I201-Q284 HydrophobicContact CD1-CB 4.32Å; I201-Q284 HydrophobicContact CD1-CG 4.29Å |
| 202 | G | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 131.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | G230 Y231 I232 | G202-G230 PolarHBondContact N-O 3.31Å; G202-G230 VanDerWaalsContact N-O 3.12Å; G202-Y231 CarbonylContact O-C 3.6Å; G202-Y231 VanDerWaalsContact O-CA 3.31Å; G202-Y231 WeakPolarHBondContact O-CA 3.26Å; G202-I232 PolarHBondContact O-N 3.48Å |
| 203 | V | 95.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 123.4 | 172.3 | 176.8 | 0 | 0 | 0 | 0 | 109.4 | V47 L172 A173 V174 S175 T205 I232 V234 L277 | V47-V203 HydrophobicContact CG2-CG1 4.34Å; L172-V203 HydrophobicContact CD1-CG2 3.34Å; L172-V203 HydrophobicContact CD2-CG2 4.4Å; L172-V203 HydrophobicContact CG-CG2 3.85Å; A173-V203 PolarHBondContact O-N 3.29Å; V174-V203 WeakPolarHBondContact CA-O 3.5Å; V174-V203 HydrophobicContact CG2-CB 4.32Å; S175-V203 PolarHBondContact N-O 2.78Å; V203-T205 HydrophobicContact CG1-CG2 4.16Å; V203-I232 CarbonylContact C-O 3.51Å; V203-I232 WeakPolarHBondContact CA-O 3.47Å; V203-V234 HydrophobicContact CG1-CG1 4.38Å; V203-V234 HydrophobicContact CG1-CG2 3.71Å; V203-L277 HydrophobicContact CG1-CD2 4.19Å; V203-L277 HydrophobicContact CG2-CD1 3.82Å; V203-L277 HydrophobicContact CG2-CD2 3.91Å |
| 204 | I | 95.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 113.5 | 179.6 | -53.6 | -57.5 | 0 | 0 | 0 | 109.1 | S175 A177 L181 L207 I219 L220 Y231 I232 G233 V234 | S175-I204 CarbonylContact O-C 3.57Å; S175-I204 VanDerWaalsContact O-CA 3.3Å; S175-I204 WeakPolarHBondContact O-CA 3.41Å; A177-I204 HydrophobicContact CB-CG2 3.67Å; L181-I204 HydrophobicContact CD1-CD1 3.86Å; I204-L207 HydrophobicContact CG2-CD2 3.83Å; I204-L207 HydrophobicContact CG2-CG 4.16Å; I204-I219 HydrophobicContact CD1-CG2 3.81Å; I204-I219 HydrophobicContact CG1-CG2 3.89Å; I204-L220 HydrophobicContact CB-CD2 4.1Å; I204-L220 HydrophobicContact CG1-CD2 3.97Å; I204-Y231 HydrophobicContact CD1-CD1 3.85Å; I204-Y231 HydrophobicContact CD1-CE1 4.29Å; I204-Y231 HydrophobicContact CG1-CD1 3.99Å; I204-I232 PolarHBondContact N-O 3.15Å; I204-G233 CarbonylContact O-C 3.59Å; I204-G233 WeakPolarHBondContact O-CA 3.35Å; I204-V234 PolarHBondContact O-N 2.94Å |
| 205 | T | 94.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 171.5 | -179.5 | 69.4 | 0 | 0 | 0 | 0 | 111 | A42 V47 V174 S175 P176 A177 V203 L207 V234 | A42-T205 WeakPolarHBondContact O-CG2 3.46Å; A42-T205 PolarHBondContact O-OG1 3.3Å; V47-T205 HydrophobicContact CG2-CG2 4.03Å; V174-T205 HydrophobicContact CG1-CG2 3.52Å; S175-T205 PolarHBondContact O-N 3.06Å; P176-T205 WeakPolarHBondContact CA-OG1 3.34Å; A177-T205 VanDerWaalsContact CB-O 3.26Å; A177-T205 WeakPolarHBondContact CB-O 3.46Å; A177-T205 PolarHBondContact N-O 2.6Å; V203-T205 HydrophobicContact CG1-CG2 4.16Å; T205-L207 VanDerWaalsContact C-N 3.28Å; T205-L207 PolarHBondContact O-N 3.39Å; T205-V234 WeakPolarHBondContact CA-O 3.39Å; T205-V234 HydrophobicContact CG2-CG2 3.7Å |
| 206 | K | 92.4 | Very high | 89.8 | Confident | 57 Ų | 57 | 51.3 Ų | 51.3 | 25% | 0.248 | 28% | 0.28 | C | S | . | . | trans | 58.6 | 32.1 | 172.3 | -54.1 | -174.2 | -173.7 | 179.9 | 0 | 114.9 | S41 P176 D208 L209 | S41-K206 WeakPolarHBondContact O-CE 3.31Å; S41-K206 PolarHBondContact O-NZ 3.06Å; P176-K206 HydrophobicContact CB-CB 4.48Å; P176-K206 HydrophobicContact CB-CD 3.91Å; P176-K206 HydrophobicContact CB-CG 4.34Å; K206-D208 WeakPolarHBondContact CA-OD1 3.49Å; K206-D208 PolarHBondContact O-N 3.22Å; K206-L209 HydrophobicContact CB-CB 4.37Å; K206-L209 HydrophobicContact CB-CD1 4.24Å; K206-L209 HydrophobicContact CD-CD1 4.21Å; K206-L209 HydrophobicContact CG-CD1 4.3Å; K206-L209 PolarHBondContact O-N 2.94Å; K206-L209 VanDerWaalsContact O-N 3.11Å | ||
| 207 | L | 92.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -63.3 | -22.2 | 177.2 | -72.2 | 163 | 0 | 0 | 0 | 113 | A177 I204 T205 L209 M210 A216 L220 V235 F258 F259 Y265 | A177-L207 HydrophobicContact CB-CD2 3.62Å; A177-L207 HydrophobicContact CB-CG 4.05Å; I204-L207 HydrophobicContact CG2-CD2 3.83Å; I204-L207 HydrophobicContact CG2-CG 4.16Å; T205-L207 VanDerWaalsContact C-N 3.28Å; T205-L207 PolarHBondContact O-N 3.39Å; L207-L209 VanDerWaalsContact C-N 3.34Å; L207-M210 HydrophobicContact CD2-SD 4.11Å; L207-A216 HydrophobicContact CD2-CB 3.65Å; L207-L220 HydrophobicContact CD1-CD1 4.25Å; L207-L220 HydrophobicContact CD2-CD1 4.29Å; L207-V235 HydrophobicContact CB-CG2 4.31Å; L207-F258 HydrophobicContact CB-CE1 3.95Å; L207-F258 HydrophobicContact CB-CZ 4.04Å; L207-F259 HydrophobicContact CD1-CE1 3.84Å; L207-F259 HydrophobicContact CD1-CZ 3.77Å; L207-Y265 HydrophobicContact CD2-CE2 4.37Å |
| 208 | D | 90.3 | Very high | 90.4 | Very high | 66 Ų | 66 | 51.4 Ų | 51.4 | 35% | 0.353 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -78.6 | -14.2 | 176.1 | 60.3 | -51.2 | 0 | 0 | 0 | 113.8 | K206 V235 F258 | K206-D208 WeakPolarHBondContact CA-OD1 3.49Å; K206-D208 PolarHBondContact O-N 3.22Å; D208-V235 HydrophobicContact CB-CG1 4.03Å; D208-F258 HydrophobicContact CB-CE2 4.17Å |
| 209 | L | 90.1 | Very high | 90.7 | Very high | 96 Ų | 96 | 50.1 Ų | 50.1 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -107.7 | 18.2 | -178.5 | -57.7 | 178.9 | 0 | 0 | 0 | 112.6 | K206 L207 | K206-L209 HydrophobicContact CB-CB 4.37Å; K206-L209 HydrophobicContact CB-CD1 4.24Å; K206-L209 HydrophobicContact CD-CD1 4.21Å; K206-L209 HydrophobicContact CG-CD1 4.3Å; K206-L209 PolarHBondContact O-N 2.94Å; K206-L209 VanDerWaalsContact O-N 3.11Å; L207-L209 VanDerWaalsContact C-N 3.34Å |
| 210 | M | 90.8 | Very high | 90.8 | Very high | 38 Ų | 38 | 49.4 Ų | 49.4 | 19% | 0.187 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -75.4 | 150.2 | 174.3 | -64.9 | -171 | 70.9 | 0 | 0 | 110.7 | A177 L207 D215 A216 | A177-M210 HydrophobicContact CB-CG 3.8Å; A177-M210 HydrophobicContact CB-SD 3.7Å; L207-M210 HydrophobicContact CD2-SD 4.11Å; M210-D215 VanDerWaalsContact CE-C 3.41Å; M210-A216 HydrophobicContact CE-CB 4.14Å; M210-A216 HydrophobicContact SD-CB 3.9Å |
| 211 | D | 87.5 | Confident | 90.8 | Very high | 127 Ų | 127 | 51.8 Ų | 51.8 | 68% | 0.679 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 140.4 | 178.3 | -66.4 | -34.3 | 0 | 0 | 0 | 110.6 | G213 T214 | D211-G213 PolarHBondContact O-N 3.48Å; D211-T214 HydrophobicContact CB-CG2 4.36Å; D211-T214 PolarHBondContact N-OG1 3.43Å; D211-T214 PolarHBondContact O-N 3.25Å; D211-T214 PolarHBondContact O-OG1 2.97Å |
| 212 | E | 82 | Confident | 90.6 | Very high | 210 Ų | 210 | 53.7 Ų | 53.7 | 98% | 0.981 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 125.3 | -178.7 | -129.4 | -178.9 | 177.8 | 0 | 0 | 110.7 | ||
| 213 | G | 81.4 | Confident | 90.3 | Very high | 86 Ų | 86 | 59.8 Ų | 59.8 | 89% | 0.887 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.6 | -0.9 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | D211 | D211-G213 PolarHBondContact O-N 3.48Š|
| 214 | T | 87.9 | Confident | 89.7 | Confident | 74 Ų | 74 | 63.9 Ų | 63.9 | 45% | 0.454 | 34% | 0.342 | S | S | . | . | trans | -109.5 | 152.9 | 170.7 | 68.6 | 0 | 0 | 0 | 0 | 111.5 | D211 | D211-T214 HydrophobicContact CB-CG2 4.36Å; D211-T214 PolarHBondContact N-OG1 3.43Å; D211-T214 PolarHBondContact O-N 3.25Å; D211-T214 PolarHBondContact O-OG1 2.97Å | ||
| 215 | D | 90.2 | Very high | 89.2 | Confident | 77 Ų | 77 | 64.7 Ų | 64.7 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | trans | -146.9 | 163.4 | 173.4 | 70.7 | 61.1 | 0 | 0 | 0 | 111.4 | M210 K217 A264 Y265 | M210-D215 VanDerWaalsContact CE-C 3.41Å; D215-K217 WeakPolarHBondContact OD1-CB 3.36Å; D215-K217 PolarHBondContact OD1-N 3.28Å; D215-A264 HydrophobicContact CB-CB 3.98Å; D215-Y265 HydrophobicContact CB-CE1 4.26Å | ||
| 216 | A | 91.9 | Very high | 88.8 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 2% | 0.017 | 35% | 0.354 | C | S | . | . | trans | -102.2 | 24.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L207 M210 D218 I219 L220 Y265 | L207-A216 HydrophobicContact CD2-CB 3.65Å; M210-A216 HydrophobicContact CE-CB 4.14Å; M210-A216 HydrophobicContact SD-CB 3.9Å; A216-D218 PolarHBondContact O-N 3.03Å; A216-I219 HydrophobicContact CB-CB 4.48Å; A216-I219 HydrophobicContact CB-CD1 4.21Å; A216-I219 WeakPolarHBondContact O-CB 3.34Å; A216-I219 PolarHBondContact O-N 3.19Å; A216-I219 VanDerWaalsContact O-N 3.16Å; A216-L220 WeakPolarHBondContact O-CG 3.48Å; A216-L220 PolarHBondContact O-N 3.01Å; A216-Y265 PolarHBondContact N-OH 2.87Å | ||
| 217 | K | 91.8 | Very high | 88.6 | Confident | 71 Ų | 71 | 63.6 Ų | 63.6 | 31% | 0.309 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.7 | -45.8 | -172.9 | -179.4 | -177.7 | 171.8 | -175.3 | 0 | 112 | D215 I219 L220 E221 Y265 | D215-K217 WeakPolarHBondContact OD1-CB 3.36Å; D215-K217 PolarHBondContact OD1-N 3.28Å; K217-I219 PolarHBondContact O-N 3.36Å; K217-L220 PolarHBondContact O-N 2.89Å; K217-E221 WeakPolarHBondContact CE-OE1 3.34Å; K217-E221 HydrophobicContact CG-CG 4.19Å; K217-E221 WeakPolarHBondContact O-CB 3.48Å; K217-E221 WeakPolarHBondContact O-CG 3.33Å; K217-E221 PolarHBondContact O-N 2.94Å; K217-Y265 HydrophobicContact CB-CE1 4.46Å |
| 218 | D | 89.7 | Confident | 88.4 | Confident | 93 Ų | 93 | 66 Ų | 66 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.2 | -26.3 | -179.4 | -70.5 | -27.6 | 0 | 0 | 0 | 113 | A216 K223 L224 | A216-D218 PolarHBondContact O-N 3.03Å; D218-K223 WeakPolarHBondContact O-CB 3.46Å; D218-K223 PolarHBondContact O-N 2.81Å; D218-L224 PolarHBondContact O-N 2.99Å |
| 219 | I | 91 | Very high | 88.3 | Confident | 24 Ų | 24 | 64.8 Ų | 64.8 | 12% | 0.123 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.1 | -51.8 | 172.7 | -58.6 | 172.8 | 0 | 0 | 0 | 109.3 | L181 I204 A216 K217 E221 N222 L224 Y231 | L181-I219 HydrophobicContact CB-CD1 4.03Å; L181-I219 HydrophobicContact CD1-CG2 4.44Å; L181-I219 HydrophobicContact CD2-CB 4.41Å; L181-I219 HydrophobicContact CD2-CD1 4.09Å; L181-I219 HydrophobicContact CD2-CG1 3.98Å; L181-I219 HydrophobicContact CD2-CG2 3.67Å; L181-I219 HydrophobicContact CG-CD1 4.47Å; I204-I219 HydrophobicContact CD1-CG2 3.81Å; I204-I219 HydrophobicContact CG1-CG2 3.89Å; A216-I219 HydrophobicContact CB-CB 4.48Å; A216-I219 HydrophobicContact CB-CD1 4.21Å; A216-I219 WeakPolarHBondContact O-CB 3.34Å; A216-I219 PolarHBondContact O-N 3.19Å; A216-I219 VanDerWaalsContact O-N 3.16Å; K217-I219 PolarHBondContact O-N 3.36Å; I219-E221 VanDerWaalsContact C-N 3.3Å; I219-E221 PolarHBondContact O-N 2.88Å; I219-N222 WeakPolarHBondContact O-CA 3.44Å; I219-N222 PolarHBondContact O-N 3.42Å; I219-L224 HydrophobicContact CD1-CD2 4.31Å; I219-L224 HydrophobicContact CG1-CB 4.35Å; I219-L224 HydrophobicContact CG1-CD2 3.79Å; I219-Y231 HydrophobicContact CG2-CD1 4.08Å; I219-Y231 HydrophobicContact CG2-CD2 4.46Å; I219-Y231 HydrophobicContact CG2-CE1 4.28Å; I219-Y231 HydrophobicContact CG2-CG 4.18Å; I219-Y231 WeakPolarHBondContact O-CD2 3.5Å |
| 220 | L | 92.2 | Very high | 88.4 | Confident | 10 Ų | 10 | 60.9 Ų | 60.9 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.8 | -27.4 | -177.7 | -66.5 | -179.9 | 0 | 0 | 0 | 113.3 | I204 L207 A216 K217 N222 Y265 L268 M272 | I204-L220 HydrophobicContact CB-CD2 4.1Å; I204-L220 HydrophobicContact CG1-CD2 3.97Å; L207-L220 HydrophobicContact CD1-CD1 4.25Å; L207-L220 HydrophobicContact CD2-CD1 4.29Å; A216-L220 WeakPolarHBondContact O-CG 3.48Å; A216-L220 PolarHBondContact O-N 3.01Å; K217-L220 PolarHBondContact O-N 2.89Å; L220-N222 PolarHBondContact O-N 3.49Å; L220-Y265 HydrophobicContact CD1-CD1 3.93Å; L220-Y265 HydrophobicContact CD1-CE1 3.84Å; L220-L268 HydrophobicContact CB-CD1 3.95Å; L220-M272 HydrophobicContact CB-CE 3.77Å; L220-M272 HydrophobicContact CD1-CE 4.22Å; L220-M272 HydrophobicContact CD1-SD 4.2Å; L220-M272 HydrophobicContact CD2-CE 4.03Å; L220-M272 HydrophobicContact CD2-SD 4Å; L220-M272 HydrophobicContact CG-CE 4.22Å |
| 221 | E | 91.9 | Very high | 88.5 | Confident | 50 Ų | 50 | 59.6 Ų | 59.6 | 23% | 0.234 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 4.3 | 171 | -69.1 | -176 | 166.4 | 0 | 0 | 113 | K217 I219 K223 H267 L268 | K217-E221 WeakPolarHBondContact CE-OE1 3.34Å; K217-E221 HydrophobicContact CG-CG 4.19Å; K217-E221 WeakPolarHBondContact O-CB 3.48Å; K217-E221 WeakPolarHBondContact O-CG 3.33Å; K217-E221 PolarHBondContact O-N 2.94Å; I219-E221 VanDerWaalsContact C-N 3.3Å; I219-E221 PolarHBondContact O-N 2.88Å; E221-K223 VanDerWaalsContact C-N 3.27Å; E221-K223 HydrophobicContact CB-CD 4.13Å; E221-K223 HydrophobicContact CB-CG 4.16Å; E221-K223 PolarHBondContact O-N 3.49Å; E221-K223 VanDerWaalsContact OE2-CE 3.27Å; E221-K223 WeakPolarHBondContact OE2-CE 3.3Å; E221-K223 IonicContact OE2-NZ 2.8Å; E221-K223 PolarHBondContact OE2-NZ 3.27Å; E221-H267 IonicContact OE1-CD2 2.66Å; E221-H267 IonicContact OE1-CE1 3.57Å; E221-H267 IonicContact OE1-NE2 2.9Å; E221-H267 PolarHBondContact OE1-NE2 3.46Å; E221-L268 HydrophobicContact CG-CD1 4.05Å; E221-L268 HydrophobicContact CG-CD2 4.43Å |
| 222 | N | 90.6 | Very high | 88.9 | Confident | 40 Ų | 40 | 53.8 Ų | 53.8 | 21% | 0.214 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 29.8 | 177.2 | -156 | 41.7 | 0 | 0 | 0 | 113.7 | I219 L220 P226 L227 Y231 | I219-N222 WeakPolarHBondContact O-CA 3.44Å; I219-N222 PolarHBondContact O-N 3.42Å; L220-N222 PolarHBondContact O-N 3.49Å; N222-P226 WeakPolarHBondContact OD1-CA 3.46Å; N222-L227 PolarHBondContact ND2-O 3.06Å; N222-L227 PolarHBondContact OD1-N 3.14Å; N222-Y231 HydrophobicContact CB-CD2 4.48Å; N222-Y231 WeakPolarHBondContact OD1-CD2 3.3Å; N222-Y231 VanDerWaalsContact OD1-CE2 3.24Å; N222-Y231 WeakPolarHBondContact OD1-CE2 3.25Å |
| 223 | K | 87.5 | Confident | 89.6 | Confident | 128 Ų | 128 | 43.8 Ų | 43.8 | 56% | 0.557 | 24% | 0.243 | S | C | * | . | trans | -94.5 | -38 | -177 | -66.8 | 173.5 | 174.7 | 168.1 | 0 | 113.2 | D218 E221 | D218-K223 WeakPolarHBondContact O-CB 3.46Å; D218-K223 PolarHBondContact O-N 2.81Å; E221-K223 VanDerWaalsContact C-N 3.27Å; E221-K223 HydrophobicContact CB-CD 4.13Å; E221-K223 HydrophobicContact CB-CG 4.16Å; E221-K223 PolarHBondContact O-N 3.49Å; E221-K223 VanDerWaalsContact OE2-CE 3.27Å; E221-K223 WeakPolarHBondContact OE2-CE 3.3Å; E221-K223 IonicContact OE2-NZ 2.8Å; E221-K223 PolarHBondContact OE2-NZ 3.27Å | ||
| 224 | L | 83.4 | Confident | 90.2 | Very high | 87 Ų | 87 | 39.7 Ų | 39.7 | 46% | 0.455 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -72.4 | -53.8 | -174.9 | -176.5 | 66.1 | 0 | 0 | 0 | 112.2 | L181 D218 I219 | L181-L224 HydrophobicContact CB-CD2 4.37Å; L181-L224 HydrophobicContact CD2-CD2 4.22Å; D218-L224 PolarHBondContact O-N 2.99Å; I219-L224 HydrophobicContact CD1-CD2 4.31Å; I219-L224 HydrophobicContact CG1-CB 4.35Å; I219-L224 HydrophobicContact CG1-CD2 3.79Å |
| 225 | L | 84.2 | Confident | 90.4 | Very high | 19 Ų | 19 | 37.2 Ų | 37.2 | 10% | 0.099 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -132.7 | 89.9 | 177.8 | -177.6 | 72.2 | 0 | 0 | 0 | 109.7 | L181 L187 L227 Y231 W763 | L181-L225 HydrophobicContact CD2-CB 4.16Å; L187-L225 HydrophobicContact CB-CD2 4.21Å; L187-L225 HydrophobicContact CD1-CD2 3.83Å; L187-L225 HydrophobicContact CD2-CD2 4.25Å; L187-L225 HydrophobicContact CG-CD2 4.33Å; L225-L227 PolarHBondContact O-N 2.86Å; L225-Y231 WeakPolarHBondContact O-CE2 3.38Å; L225-Y231 VanDerWaalsContact O-CZ 3.27Å; L225-Y231 PolarHBondContact O-OH 3.34Å; L225-W763 HydrophobicContact CD1-CH2 3.56Å; L225-W763 HydrophobicContact CD1-CZ2 3.45Å; L225-W763 VanDerWaalsContact CD1-CZ2 3.45Å |
| 226 | P | 85.8 | Confident | 90.4 | Very high | 23 Ų | 23 | 34.5 Ų | 34.5 | 15% | 0.149 | 17% | 0.17 | C | C | . | . | trans | -62.6 | 127.7 | -172.3 | 20.4 | -29.9 | 0 | 0 | 0 | 113 | N222 V759 | N222-P226 WeakPolarHBondContact OD1-CA 3.46Å; P226-V759 HydrophobicContact CB-CB 3.97Å; P226-V759 HydrophobicContact CB-CG1 3.28Å; P226-V759 HydrophobicContact CG-CG1 4.19Å | ||
| 227 | L | 89.1 | Confident | 90.2 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 5% | 0.052 | 17% | 0.174 | C | C | . | . | trans | -112.7 | 143.1 | 166.1 | -64.8 | 176.2 | 0 | 0 | 0 | 109.6 | L187 T200 N222 L225 R229 G230 Y231 | L187-L227 HydrophobicContact CD2-CD1 4.12Å; T200-L227 HydrophobicContact CG2-CD1 4.13Å; T200-L227 HydrophobicContact CG2-CD2 4.11Å; N222-L227 PolarHBondContact ND2-O 3.06Å; N222-L227 PolarHBondContact OD1-N 3.14Å; L225-L227 PolarHBondContact O-N 2.86Å; L227-R229 PolarHBondContact O-N 2.97Å; L227-G230 PolarHBondContact O-N 3.39Å; L227-Y231 HydrophobicContact CB-CE2 4.38Å; L227-Y231 HydrophobicContact CD1-CD1 4.33Å; L227-Y231 HydrophobicContact CD1-CE1 3.67Å; L227-Y231 HydrophobicContact CD1-CE2 4Å; L227-Y231 VanDerWaalsContact CD1-CZ 3.47Å; L227-Y231 HydrophobicContact CG-CE1 4.43Å; L227-Y231 HydrophobicContact CG-CE2 4Å; L227-Y231 WeakPolarHBondContact CG-OH 3.48Å | ||
| 228 | R | 86.2 | Confident | 89.7 | Confident | 56 Ų | 56 | 34.1 Ų | 34.1 | 21% | 0.211 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -29.3 | -179.9 | -165.9 | 174.8 | 176.7 | 163.3 | -3.6 | 112.6 | G197 M198 P756 V759 | G197-R228 VanDerWaalsContact O-CB 3.22Å; G197-R228 WeakPolarHBondContact O-CB 3.39Å; G197-R228 PolarHBondContact O-N 3.29Å; M198-R228 WeakPolarHBondContact SD-CD 3.48Å; M198-R228 PolarHBondContact SD-NH1 2.97Å; R228-P756 PolarHBondContact NE-O 3.42Å; R228-P756 PolarHBondContact NH2-O 2.91Å; R228-V759 HydrophobicContact CB-CG2 4.35Å |
| 229 | R | 88.7 | Confident | 89.2 | Confident | 39 Ų | 39 | 35 Ų | 35 | 15% | 0.147 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 2.6 | 177.5 | -54 | 178.8 | -179.2 | -94.2 | -2 | 113.5 | M198 T200 I201 L227 | M198-R229 PolarHBondContact O-NE 3.13Å; M198-R229 PolarHBondContact O-NH2 2.95Å; T200-R229 WeakPolarHBondContact O-CB 3.46Å; I201-R229 HydrophobicContact CG1-CB 3.85Å; I201-R229 HydrophobicContact CG1-CG 4.33Å; L227-R229 PolarHBondContact O-N 2.97Å |
| 230 | G | 91.9 | Very high | 88.8 | Confident | 15 Ų | 15 | 42.3 Ų | 42.3 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | trans | 68.6 | -169.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | G202 L227 | G202-G230 PolarHBondContact N-O 3.31Å; G202-G230 VanDerWaalsContact N-O 3.12Å; L227-G230 PolarHBondContact O-N 3.39Å | ||
| 231 | Y | 94 | Very high | 88.3 | Confident | 11 Ų | 11 | 43.9 Ų | 43.9 | 4% | 0.043 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 145.7 | 178.4 | -66.6 | -90.3 | 0 | 0 | 0 | 111.6 | L181 L187 G202 I204 I219 N222 L225 L227 | L181-Y231 HydrophobicContact CD2-CE1 4.49Å; L187-Y231 HydrophobicContact CD1-CE1 4.5Å; L187-Y231 HydrophobicContact CD2-CE1 4.49Å; G202-Y231 CarbonylContact O-C 3.6Å; G202-Y231 VanDerWaalsContact O-CA 3.31Å; G202-Y231 WeakPolarHBondContact O-CA 3.26Å; I204-Y231 HydrophobicContact CD1-CD1 3.85Å; I204-Y231 HydrophobicContact CD1-CE1 4.29Å; I204-Y231 HydrophobicContact CG1-CD1 3.99Å; I219-Y231 HydrophobicContact CG2-CD1 4.08Å; I219-Y231 HydrophobicContact CG2-CD2 4.46Å; I219-Y231 HydrophobicContact CG2-CE1 4.28Å; I219-Y231 HydrophobicContact CG2-CG 4.18Å; I219-Y231 WeakPolarHBondContact O-CD2 3.5Å; N222-Y231 HydrophobicContact CB-CD2 4.48Å; N222-Y231 WeakPolarHBondContact OD1-CD2 3.3Å; N222-Y231 VanDerWaalsContact OD1-CE2 3.24Å; N222-Y231 WeakPolarHBondContact OD1-CE2 3.25Å; L225-Y231 WeakPolarHBondContact O-CE2 3.38Å; L225-Y231 VanDerWaalsContact O-CZ 3.27Å; L225-Y231 PolarHBondContact O-OH 3.34Å; L227-Y231 HydrophobicContact CB-CE2 4.38Å; L227-Y231 HydrophobicContact CD1-CD1 4.33Å; L227-Y231 HydrophobicContact CD1-CE1 3.67Å; L227-Y231 HydrophobicContact CD1-CE2 4Å; L227-Y231 VanDerWaalsContact CD1-CZ 3.47Å; L227-Y231 HydrophobicContact CG-CE1 4.43Å; L227-Y231 HydrophobicContact CG-CE2 4Å; L227-Y231 WeakPolarHBondContact CG-OH 3.48Å |
| 232 | I | 96.1 | Very high | 87.7 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 121.9 | 174.9 | -57.3 | 171 | 0 | 0 | 0 | 108.5 | G202 V203 I204 Y276 L277 V280 | G202-I232 PolarHBondContact O-N 3.48Å; V203-I232 CarbonylContact C-O 3.51Å; V203-I232 WeakPolarHBondContact CA-O 3.47Å; I204-I232 PolarHBondContact N-O 3.15Å; I232-Y276 HydrophobicContact CD1-CD1 4.03Å; I232-Y276 HydrophobicContact CD1-CE1 4.03Å; I232-Y276 HydrophobicContact CG1-CD1 4.22Å; I232-Y276 HydrophobicContact CG1-CE1 4.16Å; I232-Y276 HydrophobicContact CG2-CD1 4.15Å; I232-L277 HydrophobicContact CB-CD1 4.24Å; I232-L277 HydrophobicContact CD1-CD1 3.63Å; I232-L277 HydrophobicContact CG1-CD1 4.49Å; I232-L277 HydrophobicContact CG2-CB 3.99Å; I232-L277 HydrophobicContact CG2-CD1 4.36Å; I232-V280 HydrophobicContact CD1-CB 3.92Å; I232-V280 HydrophobicContact CD1-CG1 3.98Å; I232-V280 HydrophobicContact CD1-CG2 3.98Å |
| 233 | G | 95.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 135.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I204 F259 M272 G273 | I204-G233 CarbonylContact O-C 3.59Å; I204-G233 WeakPolarHBondContact O-CA 3.35Å; G233-F259 WeakPolarHBondContact O-CZ 3.14Å; G233-M272 PolarHBondContact N-SD 3.09Å; G233-G273 WeakPolarHBondContact O-CA 3.37Å; G233-G273 PolarHBondContact O-N 3.36Å |
| 234 | V | 94.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -133.2 | 143.5 | 175.6 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | V47 V203 I204 T205 E255 L277 | V47-V234 HydrophobicContact CG2-CG2 4.06Å; V203-V234 HydrophobicContact CG1-CG1 4.38Å; V203-V234 HydrophobicContact CG1-CG2 3.71Å; I204-V234 PolarHBondContact O-N 2.94Å; T205-V234 WeakPolarHBondContact CA-O 3.39Å; T205-V234 HydrophobicContact CG2-CG2 3.7Å; V234-E255 WeakPolarHBondContact CA-OE1 3.21Å; V234-L277 HydrophobicContact CG1-CB 4.5Å; V234-L277 HydrophobicContact CG1-CD2 3.87Å | ||
| 235 | V | 92.6 | Very high | 86.5 | Confident | 21 Ų | 21 | 47.3 Ų | 47.3 | 13% | 0.127 | 25% | 0.246 | C | C | . | . | trans | -116.5 | 114 | 175.7 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | L207 D208 E255 F258 F259 | L207-V235 HydrophobicContact CB-CG2 4.31Å; D208-V235 HydrophobicContact CB-CG1 4.03Å; V235-E255 HydrophobicContact CB-CB 4.37Å; V235-E255 HydrophobicContact CB-CG 4.07Å; V235-E255 PolarHBondContact N-OE1 2.9Å; V235-F258 HydrophobicContact CG2-CD1 3.53Å; V235-F258 HydrophobicContact CG2-CE1 3.73Å; V235-F258 HydrophobicContact CG2-CG 4.14Å; V235-F258 HydrophobicContact CG2-CZ 4.48Å; V235-F259 HydrophobicContact CG2-CE2 4.09Å; V235-F259 HydrophobicContact CG2-CZ 4.11Å | ||
| 236 | N | 89.3 | Confident | 86.4 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 11% | 0.107 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -92.7 | 165.1 | -175.5 | -63.6 | -26.7 | 0 | 0 | 0 | 111 | S46 N50 S238 | S46-N236 WeakPolarHBondContact CB-ND2 3.5Å; N50-N236 PolarHBondContact ND2-OD1 3.27Å; N236-S238 PolarHBondContact O-N 3.31Å |
| 237 | R | 87 | Confident | 86.2 | Confident | 23 Ų | 23 | 52.6 Ų | 52.6 | 9% | 0.087 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 133.3 | 168.2 | -70.9 | 179.4 | -74.3 | 155.7 | 10 | 109.7 | D55 D241 I242 K246 A251 | D55-R237 VanDerWaalsContact CG-NH2 3.35Å; D55-R237 IonicContact OD1-CZ 3.44Å; D55-R237 IonicContact OD1-NH1 2.83Å; D55-R237 IonicContact OD1-NH2 3.33Å; D55-R237 PolarHBondContact OD1-NH2 2.97Å; D55-R237 IonicContact OD2-CZ 3.22Å; D55-R237 IonicContact OD2-NH1 3.37Å; D55-R237 PolarHBondContact OD2-NH1 3.46Å; D55-R237 IonicContact OD2-NH2 3.49Å; D55-R237 PolarHBondContact OD2-NH2 3.35Å; R237-D241 HydrophobicContact CB-CB 3.91Å; R237-D241 HydrophobicContact CG-CB 4.34Å; R237-I242 HydrophobicContact CB-CG1 4Å; R237-K246 WeakPolarHBondContact CD-O 3.5Å; R237-K246 PolarHBondContact NH1-O 3.38Å; R237-A251 HydrophobicContact CG-CB 3.55Å |
| 238 | S | 83.1 | Confident | 85.7 | Confident | 43 Ų | 43 | 53.3 Ų | 53.3 | 30% | 0.301 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 164.8 | 172.4 | 67.4 | 0 | 0 | 0 | 0 | 111 | N236 K240 D241 I242 | N236-S238 PolarHBondContact O-N 3.31Å; S238-K240 PolarHBondContact O-N 2.92Å; S238-D241 WeakPolarHBondContact CB-OD2 3.26Å; S238-D241 PolarHBondContact N-OD2 3.42Å; S238-D241 WeakPolarHBondContact O-CA 3.47Å; S238-D241 WeakPolarHBondContact O-CB 3.29Å; S238-D241 PolarHBondContact O-N 3.1Å; S238-D241 PolarHBondContact OG-N 2.72Å; S238-D241 PolarHBondContact OG-OD2 3.44Å; S238-I242 WeakPolarHBondContact O-CG1 3.37Å; S238-I242 PolarHBondContact O-N 3.5Å |
| 239 | Q | 79.1 | Confident | 85.4 | Confident | 110 Ų | 110 | 56.1 Ų | 56.1 | 51% | 0.514 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.7 | -39.5 | 175.5 | -170.8 | 59.9 | 47.7 | 0 | 0 | 111.5 | D241 I242 D243 | Q239-D241 VanDerWaalsContact C-N 3.33Å; Q239-D241 PolarHBondContact O-N 2.95Å; Q239-I242 PolarHBondContact O-N 3.43Å; Q239-D243 PolarHBondContact NE2-OD1 3.46Å; Q239-D243 PolarHBondContact O-N 2.98Å |
| 240 | K | 81.5 | Confident | 85.3 | Confident | 178 Ų | 178 | 56.5 Ų | 56.5 | 77% | 0.774 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63 | -37.9 | 175.1 | -173 | 179.7 | -179.9 | -179.2 | 0 | 112.7 | S238 I242 G244 | S238-K240 PolarHBondContact O-N 2.92Å; K240-I242 VanDerWaalsContact C-N 3.34Å; K240-G244 PolarHBondContact O-N 3.32Å |
| 241 | D | 82.2 | Confident | 85 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 24% | 0.235 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.7 | -36 | 175.5 | -68.7 | -51.5 | 0 | 0 | 0 | 111.8 | R237 S238 Q239 G244 K245 K246 | R237-D241 HydrophobicContact CB-CB 3.91Å; R237-D241 HydrophobicContact CG-CB 4.34Å; S238-D241 WeakPolarHBondContact CB-OD2 3.26Å; S238-D241 PolarHBondContact N-OD2 3.42Å; S238-D241 WeakPolarHBondContact O-CA 3.47Å; S238-D241 WeakPolarHBondContact O-CB 3.29Å; S238-D241 PolarHBondContact O-N 3.1Å; S238-D241 PolarHBondContact OG-N 2.72Å; S238-D241 PolarHBondContact OG-OD2 3.44Å; Q239-D241 VanDerWaalsContact C-N 3.33Å; Q239-D241 PolarHBondContact O-N 2.95Å; D241-G244 CarbonylContact O-C 3.6Å; D241-K245 PolarHBondContact O-N 2.75Å; D241-K246 HydrophobicContact CB-CB 3.94Å; D241-K246 HydrophobicContact CB-CD 3.77Å; D241-K246 VanDerWaalsContact O-CB 3.29Å; D241-K246 WeakPolarHBondContact O-CB 3.46Å; D241-K246 PolarHBondContact O-N 2.89Å; D241-K246 WeakPolarHBondContact OD1-CD 3.46Å; D241-K246 IonicContact OD1-NZ 3.53Å; D241-K246 PolarHBondContact OD1-NZ 3.05Å; D241-K246 IonicContact OD2-NZ 2.74Å |
| 242 | I | 78.7 | Confident | 84.6 | Confident | 22 Ų | 22 | 58 Ų | 58 | 11% | 0.113 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.2 | -49 | 177.4 | -66.7 | 158.1 | 0 | 0 | 0 | 110.1 | R237 S238 Q239 K240 G244 K245 | R237-I242 HydrophobicContact CB-CG1 4Å; S238-I242 WeakPolarHBondContact O-CG1 3.37Å; S238-I242 PolarHBondContact O-N 3.5Å; Q239-I242 PolarHBondContact O-N 3.43Å; K240-I242 VanDerWaalsContact C-N 3.34Å; I242-G244 PolarHBondContact O-N 3.19Å; I242-K245 WeakPolarHBondContact O-CA 3.3Å; I242-K245 PolarHBondContact O-N 3.19Å |
| 243 | D | 78 | Confident | 84.2 | Confident | 117 Ų | 117 | 60.8 Ų | 60.8 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.4 | -35.4 | 177 | -59.4 | -18.6 | 0 | 0 | 0 | 110.8 | Q239 K245 | Q239-D243 PolarHBondContact NE2-OD1 3.46Å; Q239-D243 PolarHBondContact O-N 2.98Å; D243-K245 PolarHBondContact O-N 3.22Å |
| 244 | G | 79.9 | Confident | 84 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 62% | 0.619 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 5.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | K240 D241 I242 K246 | K240-G244 PolarHBondContact O-N 3.32Å; D241-G244 CarbonylContact O-C 3.6Å; I242-G244 PolarHBondContact O-N 3.19Å; G244-K246 PolarHBondContact O-N 3.42Å |
| 245 | K | 79.6 | Confident | 83.9 | Confident | 178 Ų | 178 | 63 Ų | 63 | 77% | 0.774 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 41.8 | -177.8 | -61.3 | -171 | 177.6 | -169.9 | 0 | 113.6 | D241 I242 D243 D247 | D241-K245 PolarHBondContact O-N 2.75Å; I242-K245 WeakPolarHBondContact O-CA 3.3Å; I242-K245 PolarHBondContact O-N 3.19Å; D243-K245 PolarHBondContact O-N 3.22Å; K245-D247 PolarHBondContact O-N 3.33Å |
| 246 | K | 81.4 | Confident | 83.9 | Confident | 64 Ų | 64 | 67 Ų | 67 | 28% | 0.278 | 36% | 0.364 | S | S | . | . | trans | -58.2 | 126.9 | 177.4 | -178.4 | 173.1 | 175.7 | 179.9 | 0 | 110.1 | R237 D241 G244 A250 | R237-K246 WeakPolarHBondContact CD-O 3.5Å; R237-K246 PolarHBondContact NH1-O 3.38Å; D241-K246 HydrophobicContact CB-CB 3.94Å; D241-K246 HydrophobicContact CB-CD 3.77Å; D241-K246 VanDerWaalsContact O-CB 3.29Å; D241-K246 WeakPolarHBondContact O-CB 3.46Å; D241-K246 PolarHBondContact O-N 2.89Å; D241-K246 WeakPolarHBondContact OD1-CD 3.46Å; D241-K246 IonicContact OD1-NZ 3.53Å; D241-K246 PolarHBondContact OD1-NZ 3.05Å; D241-K246 IonicContact OD2-NZ 2.74Å; G244-K246 PolarHBondContact O-N 3.42Å; K246-A250 HydrophobicContact CG-CB 4.46Å | ||
| 247 | D | 81.9 | Confident | 84.1 | Confident | 88 Ų | 88 | 73 Ų | 73 | 47% | 0.471 | 39% | 0.389 | S | S | . | . | trans | -59.6 | 144.6 | 179.9 | -179.7 | 63.1 | 0 | 0 | 0 | 112.1 | K245 N249 A250 A251 | K245-D247 PolarHBondContact O-N 3.33Å; D247-N249 PolarHBondContact O-N 2.87Å; D247-N249 VanDerWaalsContact OD2-CB 3.24Å; D247-N249 WeakPolarHBondContact OD2-CB 3.42Å; D247-N249 PolarHBondContact OD2-N 3.11Å; D247-N249 PolarHBondContact OD2-ND2 3.42Å; D247-A250 HydrophobicContact CB-CB 4.21Å; D247-A250 WeakPolarHBondContact O-CB 3.3Å; D247-A250 PolarHBondContact O-N 3.21Å; D247-A250 PolarHBondContact OD2-N 3.18Å; D247-A251 PolarHBondContact O-N 3.35Å | ||
| 248 | I | 77.3 | Confident | 84.5 | Confident | 25 Ų | 25 | 73.8 Ų | 73.8 | 13% | 0.128 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.9 | -38.2 | -176.6 | -157.9 | 92.6 | 0 | 0 | 0 | 111.7 | A250 A251 M252 | I248-A250 VanDerWaalsContact C-N 3.3Å; I248-A250 PolarHBondContact O-N 3.48Å; I248-A251 WeakPolarHBondContact O-CB 3.34Å; I248-A251 PolarHBondContact O-N 3.01Å; I248-A251 VanDerWaalsContact O-N 3.1Å; I248-M252 WeakPolarHBondContact O-CG 3.26Å; I248-M252 PolarHBondContact O-N 2.99Å |
| 249 | N | 81.7 | Confident | 85.1 | Confident | 115 Ų | 115 | 71.9 Ų | 71.9 | 62% | 0.615 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -67.8 | -36.7 | 178.6 | -60.4 | -58.1 | 0 | 0 | 0 | 110.5 | D247 A251 M252 A253 | D247-N249 PolarHBondContact O-N 2.87Å; D247-N249 VanDerWaalsContact OD2-CB 3.24Å; D247-N249 WeakPolarHBondContact OD2-CB 3.42Å; D247-N249 PolarHBondContact OD2-N 3.11Å; D247-N249 PolarHBondContact OD2-ND2 3.42Å; N249-A251 VanDerWaalsContact C-N 3.32Å; N249-M252 PolarHBondContact O-N 3.44Å; N249-A253 WeakPolarHBondContact O-CB 3.47Å; N249-A253 PolarHBondContact O-N 3.5Å |
| 250 | A | 86.4 | Confident | 85.8 | Confident | 47 Ų | 47 | 70.2 Ų | 70.2 | 39% | 0.388 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.6 | -36.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K246 D247 I248 A254 | K246-A250 HydrophobicContact CG-CB 4.46Å; D247-A250 HydrophobicContact CB-CB 4.21Å; D247-A250 WeakPolarHBondContact O-CB 3.3Å; D247-A250 PolarHBondContact O-N 3.21Å; D247-A250 PolarHBondContact OD2-N 3.18Å; I248-A250 VanDerWaalsContact C-N 3.3Å; I248-A250 PolarHBondContact O-N 3.48Å; A250-A254 WeakPolarHBondContact O-CB 3.2Å; A250-A254 PolarHBondContact O-N 2.85Å |
| 251 | A | 85.8 | Confident | 86.4 | Confident | 12 Ų | 12 | 66.2 Ų | 66.2 | 10% | 0.099 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R237 D247 I248 N249 A253 A254 E255 | R237-A251 HydrophobicContact CG-CB 3.55Å; D247-A251 PolarHBondContact O-N 3.35Å; I248-A251 WeakPolarHBondContact O-CB 3.34Å; I248-A251 PolarHBondContact O-N 3.01Å; I248-A251 VanDerWaalsContact O-N 3.1Å; N249-A251 VanDerWaalsContact C-N 3.32Å; A251-A253 PolarHBondContact O-N 3.24Å; A251-A254 WeakPolarHBondContact O-CB 3.27Å; A251-A254 PolarHBondContact O-N 3.09Å; A251-E255 PolarHBondContact O-N 3.48Å |
| 252 | M | 84.9 | Confident | 86.9 | Confident | 47 Ų | 47 | 66.4 Ų | 66.4 | 23% | 0.232 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 177.6 | -63.1 | -70.1 | -88.5 | 0 | 0 | 111.9 | I248 N249 E255 R256 T274 P275 | I248-M252 WeakPolarHBondContact O-CG 3.26Å; I248-M252 PolarHBondContact O-N 2.99Å; N249-M252 PolarHBondContact O-N 3.44Å; M252-E255 PolarHBondContact O-N 3.45Å; M252-R256 WeakPolarHBondContact O-CB 3.49Å; M252-R256 PolarHBondContact O-N 3.24Å; M252-T274 HydrophobicContact CE-CG2 4.17Å; M252-T274 HydrophobicContact SD-CG2 4.24Å; M252-P275 HydrophobicContact CE-CB 4.47Å; M252-P275 VanDerWaalsContact CE-CD 3.4Å; M252-P275 HydrophobicContact CE-CG 3.37Å |
| 253 | A | 88.4 | Confident | 87.5 | Confident | 63 Ų | 63 | 70.8 Ų | 70.8 | 52% | 0.521 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N249 A251 R256 K257 | N249-A253 WeakPolarHBondContact O-CB 3.47Å; N249-A253 PolarHBondContact O-N 3.5Å; A251-A253 PolarHBondContact O-N 3.24Å; A253-R256 PolarHBondContact O-N 2.99Å; A253-K257 WeakPolarHBondContact O-CB 3.12Å; A253-K257 PolarHBondContact O-N 2.9Å |
| 254 | A | 90.1 | Very high | 88.1 | Confident | 41 Ų | 41 | 65.9 Ų | 65.9 | 34% | 0.339 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | A250 A251 K257 F258 | A250-A254 WeakPolarHBondContact O-CB 3.2Å; A250-A254 PolarHBondContact O-N 2.85Å; A251-A254 WeakPolarHBondContact O-CB 3.27Å; A251-A254 PolarHBondContact O-N 3.09Å; A254-K257 PolarHBondContact O-N 3.27Å; A254-F258 PolarHBondContact O-N 2.88Å |
| 255 | E | 93.5 | Very high | 88.8 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.019 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.4 | -48.9 | 173.5 | 178.4 | -180 | -127.9 | 0 | 0 | 110.7 | V234 V235 A251 M252 K257 F258 F259 G273 T274 | V234-E255 WeakPolarHBondContact CA-OE1 3.21Å; V235-E255 HydrophobicContact CB-CB 4.37Å; V235-E255 HydrophobicContact CB-CG 4.07Å; V235-E255 PolarHBondContact N-OE1 2.9Å; A251-E255 PolarHBondContact O-N 3.48Å; M252-E255 PolarHBondContact O-N 3.45Å; E255-K257 VanDerWaalsContact C-N 3.32Å; E255-K257 PolarHBondContact O-N 3.18Å; E255-F258 WeakPolarHBondContact O-CB 3.49Å; E255-F258 PolarHBondContact O-N 3.39Å; E255-F259 HydrophobicContact CG-CD2 3.93Å; E255-F259 HydrophobicContact CG-CE2 3.68Å; E255-F259 VanDerWaalsContact O-CD2 3.27Å; E255-F259 WeakPolarHBondContact O-CD2 3.32Å; E255-F259 PolarHBondContact O-N 3.45Å; E255-F259 VanDerWaalsContact O-N 3.12Å; E255-G273 VanDerWaalsContact CD-CA 3.42Å; E255-G273 WeakPolarHBondContact OE1-CA 3.24Å; E255-G273 WeakPolarHBondContact OE2-CA 3.29Å; E255-T274 VanDerWaalsContact CD-N 3.34Å; E255-T274 PolarHBondContact OE1-N 3.29Å; E255-T274 PolarHBondContact OE1-OG1 2.87Å; E255-T274 PolarHBondContact OE2-N 2.66Å; E255-T274 PolarHBondContact OE2-OG1 3.44Å |
| 256 | R | 91.9 | Very high | 89.4 | Confident | 107 Ų | 107 | 63 Ų | 63 | 40% | 0.404 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 177.4 | -176.8 | 60.1 | 175.2 | -176.4 | 3.1 | 111.8 | M252 A253 F259 L260 A269 | M252-R256 WeakPolarHBondContact O-CB 3.49Å; M252-R256 PolarHBondContact O-N 3.24Å; A253-R256 PolarHBondContact O-N 2.99Å; R256-F259 PolarHBondContact O-N 3.1Å; R256-L260 HydrophobicContact CG-CD1 3.98Å; R256-L260 WeakPolarHBondContact O-CB 3.29Å; R256-L260 VanDerWaalsContact O-CG 3.31Å; R256-L260 WeakPolarHBondContact O-CG 3.44Å; R256-L260 PolarHBondContact O-N 3.4Å; R256-L260 VanDerWaalsContact O-N 3.11Å; R256-A269 PolarHBondContact NH1-O 3.3Å |
| 257 | K | 94.1 | Very high | 90 | Very high | 144 Ų | 144 | 64.8 Ų | 64.8 | 63% | 0.626 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.8 | -43.3 | 176.4 | -175.5 | -179.4 | 177.9 | -176.5 | 0 | 111.2 | A253 A254 E255 L260 T261 | A253-K257 WeakPolarHBondContact O-CB 3.12Å; A253-K257 PolarHBondContact O-N 2.9Å; A254-K257 PolarHBondContact O-N 3.27Å; E255-K257 VanDerWaalsContact C-N 3.32Å; E255-K257 PolarHBondContact O-N 3.18Å; K257-L260 PolarHBondContact O-N 3.15Å; K257-T261 HydrophobicContact CG-CG2 4.16Å; K257-T261 WeakPolarHBondContact O-CB 3.14Å; K257-T261 WeakPolarHBondContact O-CG2 3.4Å; K257-T261 PolarHBondContact O-N 2.86Å; K257-T261 PolarHBondContact O-OG1 2.91Å |
| 258 | F | 94.7 | Very high | 90.5 | Very high | 41 Ų | 41 | 60.8 Ų | 60.8 | 18% | 0.18 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.7 | -54.6 | 176.8 | 172.8 | -94.9 | 0 | 0 | 0 | 111.1 | L207 D208 V235 A254 E255 L260 T261 H262 Y265 | L207-F258 HydrophobicContact CB-CE1 3.95Å; L207-F258 HydrophobicContact CB-CZ 4.04Å; D208-F258 HydrophobicContact CB-CE2 4.17Å; V235-F258 HydrophobicContact CG2-CD1 3.53Å; V235-F258 HydrophobicContact CG2-CE1 3.73Å; V235-F258 HydrophobicContact CG2-CG 4.14Å; V235-F258 HydrophobicContact CG2-CZ 4.48Å; A254-F258 PolarHBondContact O-N 2.88Å; E255-F258 WeakPolarHBondContact O-CB 3.49Å; E255-F258 PolarHBondContact O-N 3.39Å; F258-L260 VanDerWaalsContact C-N 3.33Å; F258-L260 PolarHBondContact O-N 3.21Å; F258-T261 PolarHBondContact O-N 3.48Å; F258-T261 PolarHBondContact O-OG1 3.14Å; F258-H262 VanDerWaalsContact O-CB 3.27Å; F258-H262 WeakPolarHBondContact O-CB 3.32Å; F258-H262 PolarHBondContact O-N 3.32Å; F258-Y265 AromaticContact CE1-CD2 3.89Å; F258-Y265 HydrophobicContact CE1-CD2 3.89Å; F258-Y265 HydrophobicContact CE1-CE2 4.05Å; F258-Y265 HydrophobicContact CZ-CD2 4.18Å; F258-Y265 HydrophobicContact CZ-CE2 4.02Å |
| 259 | F | 95.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.009 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.6 | -33.2 | -178.7 | -73.7 | -67.2 | 0 | 0 | 0 | 113.9 | L207 G233 V235 E255 R256 Y265 R266 A269 M272 | L207-F259 HydrophobicContact CD1-CE1 3.84Å; L207-F259 HydrophobicContact CD1-CZ 3.77Å; G233-F259 WeakPolarHBondContact O-CZ 3.14Å; V235-F259 HydrophobicContact CG2-CE2 4.09Å; V235-F259 HydrophobicContact CG2-CZ 4.11Å; E255-F259 HydrophobicContact CG-CD2 3.93Å; E255-F259 HydrophobicContact CG-CE2 3.68Å; E255-F259 VanDerWaalsContact O-CD2 3.27Å; E255-F259 WeakPolarHBondContact O-CD2 3.32Å; E255-F259 PolarHBondContact O-N 3.45Å; E255-F259 VanDerWaalsContact O-N 3.12Å; R256-F259 PolarHBondContact O-N 3.1Å; F259-Y265 HydrophobicContact CD1-CD2 4.43Å; F259-Y265 HydrophobicContact CD1-CG 4.48Å; F259-Y265 HydrophobicContact CE1-CD2 4.5Å; F259-R266 WeakPolarHBondContact O-CA 3.35Å; F259-A269 HydrophobicContact CB-CB 3.87Å; F259-M272 HydrophobicContact CD1-CB 3.7Å; F259-M272 HydrophobicContact CD1-CG 4.08Å; F259-M272 HydrophobicContact CD2-CB 4.04Å; F259-M272 HydrophobicContact CE1-CB 3.64Å; F259-M272 HydrophobicContact CE1-CG 3.95Å; F259-M272 HydrophobicContact CE2-CB 3.98Å; F259-M272 HydrophobicContact CG-CB 3.92Å; F259-M272 HydrophobicContact CZ-CB 3.79Å; F259-M272 HydrophobicContact CZ-CG 4.48Å |
| 260 | L | 94 | Very high | 91.5 | Very high | 75 Ų | 75 | 61.8 Ų | 61.8 | 39% | 0.393 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -75.1 | -29.8 | 177.9 | -72 | 174 | 0 | 0 | 0 | 113.6 | R256 K257 F258 A269 | R256-L260 HydrophobicContact CG-CD1 3.98Å; R256-L260 WeakPolarHBondContact O-CB 3.29Å; R256-L260 VanDerWaalsContact O-CG 3.31Å; R256-L260 WeakPolarHBondContact O-CG 3.44Å; R256-L260 PolarHBondContact O-N 3.4Å; R256-L260 VanDerWaalsContact O-N 3.11Å; K257-L260 PolarHBondContact O-N 3.15Å; F258-L260 VanDerWaalsContact C-N 3.33Å; F258-L260 PolarHBondContact O-N 3.21Å; L260-A269 HydrophobicContact CD2-CB 3.84Å; L260-A269 HydrophobicContact CG-CB 4.38Å |
| 261 | T | 93.6 | Very high | 91.7 | Very high | 94 Ų | 94 | 66.3 Ų | 66.3 | 58% | 0.577 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -95.6 | -24.5 | -175.7 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | K257 F258 | K257-T261 HydrophobicContact CG-CG2 4.16Å; K257-T261 WeakPolarHBondContact O-CB 3.14Å; K257-T261 WeakPolarHBondContact O-CG2 3.4Å; K257-T261 PolarHBondContact O-N 2.86Å; K257-T261 PolarHBondContact O-OG1 2.91Å; F258-T261 PolarHBondContact O-N 3.48Å; F258-T261 PolarHBondContact O-OG1 3.14Å |
| 262 | H | 93 | Very high | 92.1 | Very high | 49 Ų | 49 | 66.3 Ų | 66.3 | 23% | 0.227 | 33% | 0.328 | C | S | . | . | trans | -71 | 122.5 | -179.9 | -164.2 | -85.2 | 0 | 0 | 0 | 111.6 | F258 A264 Y265 R266 | F258-H262 VanDerWaalsContact O-CB 3.27Å; F258-H262 WeakPolarHBondContact O-CB 3.32Å; F258-H262 PolarHBondContact O-N 3.32Å; H262-A264 VanDerWaalsContact C-N 3.31Å; H262-A264 PolarHBondContact ND1-N 3.08Å; H262-A264 PolarHBondContact O-N 3.21Å; H262-Y265 HydrophobicContact CB-CD2 3.9Å; H262-Y265 HydrophobicContact CB-CG 4.5Å; H262-Y265 AromaticContact CE1-CD2 3.81Å; H262-Y265 AromaticContact CE1-CE2 3.58Å; H262-Y265 AromaticContact CG-CD2 3.51Å; H262-Y265 AromaticContact CG-CE2 3.93Å; H262-Y265 AromaticContact ND1-CD2 3.22Å; H262-Y265 WeakPolarHBondContact ND1-CD2 3.38Å; H262-Y265 AromaticContact ND1-CE2 3.5Å; H262-Y265 WeakPolarHBondContact ND1-CE2 3.48Å; H262-Y265 AromaticContact ND1-CG 3.71Å; H262-Y265 PolarHBondContact O-N 2.77Å; H262-R266 WeakPolarHBondContact O-CB 3.2Å; H262-R266 PolarHBondContact O-N 2.92Å | ||
| 263 | P | 91 | Very high | 92.5 | Very high | 113 Ų | 113 | 64.1 Ų | 64.1 | 73% | 0.734 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -34.9 | -172.2 | 23.6 | -33.3 | 0 | 0 | 0 | 113.2 | ||
| 264 | A | 91.8 | Very high | 92.6 | Very high | 14 Ų | 14 | 61.2 Ų | 61.2 | 12% | 0.116 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -20.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D215 H262 H267 | D215-A264 HydrophobicContact CB-CB 3.98Å; H262-A264 VanDerWaalsContact C-N 3.31Å; H262-A264 PolarHBondContact ND1-N 3.08Å; H262-A264 PolarHBondContact O-N 3.21Å; A264-H267 PolarHBondContact O-CE1 2.82Å |
| 265 | Y | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -7 | -172.4 | -51.8 | -41.9 | 0 | 0 | 0 | 114.2 | L207 D215 A216 K217 L220 F258 F259 H262 H267 L268 A269 | L207-Y265 HydrophobicContact CD2-CE2 4.37Å; D215-Y265 HydrophobicContact CB-CE1 4.26Å; A216-Y265 PolarHBondContact N-OH 2.87Å; K217-Y265 HydrophobicContact CB-CE1 4.46Å; L220-Y265 HydrophobicContact CD1-CD1 3.93Å; L220-Y265 HydrophobicContact CD1-CE1 3.84Å; F258-Y265 AromaticContact CE1-CD2 3.89Å; F258-Y265 HydrophobicContact CE1-CD2 3.89Å; F258-Y265 HydrophobicContact CE1-CE2 4.05Å; F258-Y265 HydrophobicContact CZ-CD2 4.18Å; F258-Y265 HydrophobicContact CZ-CE2 4.02Å; F259-Y265 HydrophobicContact CD1-CD2 4.43Å; F259-Y265 HydrophobicContact CD1-CG 4.48Å; F259-Y265 HydrophobicContact CE1-CD2 4.5Å; H262-Y265 HydrophobicContact CB-CD2 3.9Å; H262-Y265 HydrophobicContact CB-CG 4.5Å; H262-Y265 AromaticContact CE1-CD2 3.81Å; H262-Y265 AromaticContact CE1-CE2 3.58Å; H262-Y265 AromaticContact CG-CD2 3.51Å; H262-Y265 AromaticContact CG-CE2 3.93Å; H262-Y265 AromaticContact ND1-CD2 3.22Å; H262-Y265 WeakPolarHBondContact ND1-CD2 3.38Å; H262-Y265 AromaticContact ND1-CE2 3.5Å; H262-Y265 WeakPolarHBondContact ND1-CE2 3.48Å; H262-Y265 AromaticContact ND1-CG 3.71Å; H262-Y265 PolarHBondContact O-N 2.77Å; Y265-H267 VanDerWaalsContact C-N 3.28Å; Y265-H267 PolarHBondContact O-N 2.73Å; Y265-L268 CarbonylContact O-C 3.55Å; Y265-L268 WeakPolarHBondContact O-CA 3.46Å; Y265-L268 WeakPolarHBondContact O-CB 3.5Å; Y265-L268 PolarHBondContact O-N 2.9Å; Y265-A269 PolarHBondContact O-N 2.87Å; Y265-A269 VanDerWaalsContact O-N 3.14Å |
| 266 | R | 93 | Very high | 92.2 | Very high | 177 Ų | 177 | 66.3 Ų | 66.3 | 67% | 0.668 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -53.6 | -40.3 | -175 | -178.5 | 173.1 | 176.8 | 154.5 | 0.1 | 113.9 | F259 H262 L268 A269 | F259-R266 WeakPolarHBondContact O-CA 3.35Å; H262-R266 WeakPolarHBondContact O-CB 3.2Å; H262-R266 PolarHBondContact O-N 2.92Å; R266-L268 PolarHBondContact O-N 3.02Å; R266-A269 WeakPolarHBondContact O-CB 3.22Å; R266-A269 PolarHBondContact O-N 2.83Å |
| 267 | H | 92.6 | Very high | 92.1 | Very high | 103 Ų | 103 | 61.2 Ų | 61.2 | 48% | 0.477 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -73.9 | -15 | 177.8 | 66.6 | -63.8 | 0 | 0 | 0 | 113.5 | E221 A264 Y265 | E221-H267 IonicContact OE1-CD2 2.66Å; E221-H267 IonicContact OE1-CE1 3.57Å; E221-H267 IonicContact OE1-NE2 2.9Å; E221-H267 PolarHBondContact OE1-NE2 3.46Å; A264-H267 PolarHBondContact O-CE1 2.82Å; Y265-H267 VanDerWaalsContact C-N 3.28Å; Y265-H267 PolarHBondContact O-N 2.73Å |
| 268 | L | 92 | Very high | 91.6 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -98.5 | -7.6 | 177.1 | -58.6 | 176.2 | 0 | 0 | 0 | 112.8 | L220 E221 Y265 R266 E270 R271 M272 | L220-L268 HydrophobicContact CB-CD1 3.95Å; E221-L268 HydrophobicContact CG-CD1 4.05Å; E221-L268 HydrophobicContact CG-CD2 4.43Å; Y265-L268 CarbonylContact O-C 3.55Å; Y265-L268 WeakPolarHBondContact O-CA 3.46Å; Y265-L268 WeakPolarHBondContact O-CB 3.5Å; Y265-L268 PolarHBondContact O-N 2.9Å; R266-L268 PolarHBondContact O-N 3.02Å; L268-E270 PolarHBondContact O-N 3.32Å; L268-R271 VanDerWaalsContact CD2-NH2 3.28Å; L268-R271 CarbonylContact O-C 3.5Å; L268-R271 WeakPolarHBondContact O-CA 3.44Å; L268-R271 PolarHBondContact O-N 3.29Å; L268-M272 HydrophobicContact CB-CE 3.95Å; L268-M272 HydrophobicContact CB-CG 3.99Å; L268-M272 HydrophobicContact CD1-CE 4.05Å; L268-M272 HydrophobicContact CG-CE 4.45Å; L268-M272 VanDerWaalsContact O-CG 3.31Å; L268-M272 WeakPolarHBondContact O-CG 3.47Å; L268-M272 PolarHBondContact O-N 2.83Å |
| 269 | A | 90.9 | Very high | 91 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 3% | 0.025 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -54.5 | -28.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115 | R256 F259 L260 Y265 R266 R271 | R256-A269 PolarHBondContact NH1-O 3.3Å; F259-A269 HydrophobicContact CB-CB 3.87Å; L260-A269 HydrophobicContact CD2-CB 3.84Å; L260-A269 HydrophobicContact CG-CB 4.38Å; Y265-A269 PolarHBondContact O-N 2.87Å; Y265-A269 VanDerWaalsContact O-N 3.14Å; R266-A269 WeakPolarHBondContact O-CB 3.22Å; R266-A269 PolarHBondContact O-N 2.83Å; A269-R271 VanDerWaalsContact C-N 3.34Å |
| 270 | E | 90.7 | Very high | 90.6 | Very high | 158 Ų | 158 | 61.1 Ų | 61.1 | 74% | 0.738 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -74.8 | -20 | 175.8 | -63.1 | -170.1 | 163.1 | 0 | 0 | 114.4 | L268 Y276 | L268-E270 PolarHBondContact O-N 3.32Å; E270-Y276 WeakPolarHBondContact O-CD2 3.13Å |
| 271 | R | 90.6 | Very high | 90.1 | Very high | 142 Ų | 142 | 57.5 Ų | 57.5 | 54% | 0.536 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -107.8 | 15.7 | 179.1 | -60.1 | -172.3 | -64.8 | -145.3 | 0.9 | 112.8 | L268 A269 Y276 | L268-R271 VanDerWaalsContact CD2-NH2 3.28Å; L268-R271 CarbonylContact O-C 3.5Å; L268-R271 WeakPolarHBondContact O-CA 3.44Å; L268-R271 PolarHBondContact O-N 3.29Å; A269-R271 VanDerWaalsContact C-N 3.34Å; R271-Y276 HydrophobicContact CB-CD1 4.49Å; R271-Y276 HydrophobicContact CB-CE1 3.98Å; R271-Y276 HydrophobicContact CB-CE2 4.42Å; R271-Y276 HydrophobicContact CG-CE2 4.4Å; R271-Y276 WeakPolarHBondContact O-CD1 3.42Å; R271-Y276 VanDerWaalsContact O-CE1 3.23Å; R271-Y276 WeakPolarHBondContact O-CE1 3.48Å |
| 272 | M | 94.3 | Very high | 89.4 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 6% | 0.059 | 26% | 0.258 | C | S | . | . | trans | -127.5 | 163.9 | -177.8 | -61.9 | -61.9 | 158.6 | 0 | 0 | 110.5 | L220 G233 F259 L268 | L220-M272 HydrophobicContact CB-CE 3.77Å; L220-M272 HydrophobicContact CD1-CE 4.22Å; L220-M272 HydrophobicContact CD1-SD 4.2Å; L220-M272 HydrophobicContact CD2-CE 4.03Å; L220-M272 HydrophobicContact CD2-SD 4Å; L220-M272 HydrophobicContact CG-CE 4.22Å; G233-M272 PolarHBondContact N-SD 3.09Å; F259-M272 HydrophobicContact CD1-CB 3.7Å; F259-M272 HydrophobicContact CD1-CG 4.08Å; F259-M272 HydrophobicContact CD2-CB 4.04Å; F259-M272 HydrophobicContact CE1-CB 3.64Å; F259-M272 HydrophobicContact CE1-CG 3.95Å; F259-M272 HydrophobicContact CE2-CB 3.98Å; F259-M272 HydrophobicContact CG-CB 3.92Å; F259-M272 HydrophobicContact CZ-CB 3.79Å; F259-M272 HydrophobicContact CZ-CG 4.48Å; L268-M272 HydrophobicContact CB-CE 3.95Å; L268-M272 HydrophobicContact CB-CG 3.99Å; L268-M272 HydrophobicContact CD1-CE 4.05Å; L268-M272 HydrophobicContact CG-CE 4.45Å; L268-M272 VanDerWaalsContact O-CG 3.31Å; L268-M272 WeakPolarHBondContact O-CG 3.47Å; L268-M272 PolarHBondContact O-N 2.83Å | ||
| 273 | G | 93 | Very high | 88.8 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 91.7 | 165.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G233 E255 P275 Y276 L277 | G233-G273 WeakPolarHBondContact O-CA 3.37Å; G233-G273 PolarHBondContact O-N 3.36Å; E255-G273 VanDerWaalsContact CD-CA 3.42Å; E255-G273 WeakPolarHBondContact OE1-CA 3.24Å; E255-G273 WeakPolarHBondContact OE2-CA 3.29Å; G273-P275 VanDerWaalsContact C-CD 3.5Å; G273-Y276 PolarHBondContact O-N 2.91Å; G273-L277 PolarHBondContact O-N 2.94Å; G273-L277 VanDerWaalsContact O-N 3.08Å |
| 274 | T | 89.3 | Confident | 88.3 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -39.9 | -174.9 | -56.8 | 0 | 0 | 0 | 0 | 113.8 | N50 F51 M252 E255 Y276 L277 Q278 | N50-T274 HydrophobicContact CB-CG2 3.76Å; F51-T274 HydrophobicContact CD1-CG2 3.86Å; F51-T274 HydrophobicContact CE1-CG2 3.95Å; M252-T274 HydrophobicContact CE-CG2 4.17Å; M252-T274 HydrophobicContact SD-CG2 4.24Å; E255-T274 VanDerWaalsContact CD-N 3.34Å; E255-T274 PolarHBondContact OE1-N 3.29Å; E255-T274 PolarHBondContact OE1-OG1 2.87Å; E255-T274 PolarHBondContact OE2-N 2.66Å; E255-T274 PolarHBondContact OE2-OG1 3.44Å; T274-Y276 VanDerWaalsContact C-N 3.31Å; T274-Y276 PolarHBondContact O-N 3.47Å; T274-L277 PolarHBondContact O-N 2.98Å; T274-Q278 PolarHBondContact O-N 2.69Å |
| 275 | P | 86.6 | Confident | 87.6 | Confident | 72 Ų | 72 | 51.7 Ų | 51.7 | 47% | 0.468 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.4 | -40 | 175.9 | -22.4 | 32.4 | 0 | 0 | 0 | 113.2 | M252 G273 K279 | M252-P275 HydrophobicContact CE-CB 4.47Å; M252-P275 VanDerWaalsContact CE-CD 3.4Å; M252-P275 HydrophobicContact CE-CG 3.37Å; G273-P275 VanDerWaalsContact C-CD 3.5Å; P275-K279 PolarHBondContact O-N 3.32Å |
| 276 | Y | 89.2 | Confident | 86.7 | Confident | 79 Ų | 79 | 51.9 Ų | 51.9 | 31% | 0.31 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.8 | -42 | 179 | -176.8 | -100.6 | 0 | 0 | 0 | 110.4 | I232 E270 R271 G273 T274 Q278 K279 V280 | I232-Y276 HydrophobicContact CD1-CD1 4.03Å; I232-Y276 HydrophobicContact CD1-CE1 4.03Å; I232-Y276 HydrophobicContact CG1-CD1 4.22Å; I232-Y276 HydrophobicContact CG1-CE1 4.16Å; I232-Y276 HydrophobicContact CG2-CD1 4.15Å; E270-Y276 WeakPolarHBondContact O-CD2 3.13Å; R271-Y276 HydrophobicContact CB-CD1 4.49Å; R271-Y276 HydrophobicContact CB-CE1 3.98Å; R271-Y276 HydrophobicContact CB-CE2 4.42Å; R271-Y276 HydrophobicContact CG-CE2 4.4Å; R271-Y276 WeakPolarHBondContact O-CD1 3.42Å; R271-Y276 VanDerWaalsContact O-CE1 3.23Å; R271-Y276 WeakPolarHBondContact O-CE1 3.48Å; G273-Y276 PolarHBondContact O-N 2.91Å; T274-Y276 VanDerWaalsContact C-N 3.31Å; T274-Y276 PolarHBondContact O-N 3.47Å; Y276-Q278 PolarHBondContact O-N 3.41Å; Y276-K279 PolarHBondContact O-N 3.19Å; Y276-V280 HydrophobicContact CD1-CG2 3.95Å; Y276-V280 HydrophobicContact CE1-CG2 3.53Å; Y276-V280 HydrophobicContact CE2-CG2 4.19Å; Y276-V280 HydrophobicContact CG-CG2 4.45Å; Y276-V280 WeakPolarHBondContact O-CG2 3.36Å; Y276-V280 PolarHBondContact O-N 3.39Å |
| 277 | L | 89.8 | Confident | 86 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.3 | -49.1 | 174.9 | -178 | 57.6 | 0 | 0 | 0 | 112.1 | V47 F51 L172 V203 I232 V234 G273 T274 K279 V280 L281 | V47-L277 HydrophobicContact CG1-CD2 3.94Å; F51-L277 HydrophobicContact CE1-CB 4.4Å; F51-L277 HydrophobicContact CE1-CD2 3.85Å; F51-L277 HydrophobicContact CE1-CG 3.98Å; F51-L277 HydrophobicContact CZ-CD2 3.59Å; F51-L277 HydrophobicContact CZ-CG 3.76Å; L172-L277 HydrophobicContact CD1-CD1 4.35Å; V203-L277 HydrophobicContact CG1-CD2 4.19Å; V203-L277 HydrophobicContact CG2-CD1 3.82Å; V203-L277 HydrophobicContact CG2-CD2 3.91Å; I232-L277 HydrophobicContact CB-CD1 4.24Å; I232-L277 HydrophobicContact CD1-CD1 3.63Å; I232-L277 HydrophobicContact CG1-CD1 4.49Å; I232-L277 HydrophobicContact CG2-CB 3.99Å; I232-L277 HydrophobicContact CG2-CD1 4.36Å; V234-L277 HydrophobicContact CG1-CB 4.5Å; V234-L277 HydrophobicContact CG1-CD2 3.87Å; G273-L277 PolarHBondContact O-N 2.94Å; G273-L277 VanDerWaalsContact O-N 3.08Å; T274-L277 PolarHBondContact O-N 2.98Å; L277-K279 VanDerWaalsContact C-N 3.32Å; L277-K279 PolarHBondContact O-N 2.89Å; L277-V280 PolarHBondContact O-N 2.78Å; L277-L281 HydrophobicContact CD1-CD1 4Å; L277-L281 HydrophobicContact CD1-CD2 4.38Å; L277-L281 HydrophobicContact CD1-CG 3.96Å; L277-L281 HydrophobicContact CG-CD1 3.95Å; L277-L281 HydrophobicContact CG-CG 4.33Å; L277-L281 VanDerWaalsContact O-CG 3.3Å; L277-L281 WeakPolarHBondContact O-CG 3.36Å; L277-L281 PolarHBondContact O-N 3.39Å |
| 278 | Q | 83.1 | Confident | 85.1 | Confident | 32 Ų | 32 | 40.8 Ų | 40.8 | 15% | 0.15 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.8 | -45.6 | 176.8 | -74.9 | -179.9 | -31.7 | 0 | 0 | 112.3 | F51 T274 Y276 L281 N282 | F51-Q278 VanDerWaalsContact CA-NE2 3.26Å; F51-Q278 HydrophobicContact CD1-CG 3.31Å; F51-Q278 HydrophobicContact CE1-CG 3.63Å; F51-Q278 HydrophobicContact CG-CG 4.1Å; F51-Q278 PolarHBondContact O-NE2 3.01Å; F51-Q278 VanDerWaalsContact O-NE2 3.09Å; T274-Q278 PolarHBondContact O-N 2.69Å; Y276-Q278 PolarHBondContact O-N 3.41Å; Q278-L281 PolarHBondContact O-N 2.99Å; Q278-N282 WeakPolarHBondContact O-CB 3.41Å; Q278-N282 PolarHBondContact O-N 3.3Å |
| 279 | K | 83.1 | Confident | 84.3 | Confident | 139 Ų | 139 | 40.7 Ų | 40.7 | 60% | 0.604 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -62.1 | -44.5 | 178.5 | -175.9 | -178.3 | 178.2 | -177 | 0 | 111.6 | P275 Y276 L277 Q283 | P275-K279 PolarHBondContact O-N 3.32Å; Y276-K279 PolarHBondContact O-N 3.19Å; L277-K279 VanDerWaalsContact C-N 3.32Å; L277-K279 PolarHBondContact O-N 2.89Å; K279-Q283 WeakPolarHBondContact O-CB 3.36Å; K279-Q283 PolarHBondContact O-N 3.5Å |
| 280 | V | 86.3 | Confident | 83.5 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 9% | 0.085 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.7 | -46.6 | 177.5 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | I232 Y276 L277 N282 Q283 Q284 | I232-V280 HydrophobicContact CD1-CB 3.92Å; I232-V280 HydrophobicContact CD1-CG1 3.98Å; I232-V280 HydrophobicContact CD1-CG2 3.98Å; Y276-V280 HydrophobicContact CD1-CG2 3.95Å; Y276-V280 HydrophobicContact CE1-CG2 3.53Å; Y276-V280 HydrophobicContact CE2-CG2 4.19Å; Y276-V280 HydrophobicContact CG-CG2 4.45Å; Y276-V280 WeakPolarHBondContact O-CG2 3.36Å; Y276-V280 PolarHBondContact O-N 3.39Å; L277-V280 PolarHBondContact O-N 2.78Å; V280-N282 VanDerWaalsContact C-N 3.35Å; V280-N282 PolarHBondContact O-N 2.92Å; V280-Q283 PolarHBondContact O-N 3.08Å; V280-Q284 HydrophobicContact CG1-CG 3.92Å; V280-Q284 WeakPolarHBondContact O-CB 3.2Å; V280-Q284 WeakPolarHBondContact O-CG 3.44Å; V280-Q284 PolarHBondContact O-N 3.23Å |
| 281 | L | 84.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 179.7 | -68.5 | 175 | 0 | 0 | 0 | 112.2 | I34 F51 L172 I201 L277 Q278 Q284 L285 | I34-L281 HydrophobicContact CD1-CB 4.04Å; I34-L281 HydrophobicContact CD1-CD2 4.14Å; F51-L281 HydrophobicContact CE1-CD1 4.48Å; F51-L281 HydrophobicContact CE2-CD1 3.62Å; F51-L281 HydrophobicContact CZ-CD1 3.44Å; F51-L281 VanDerWaalsContact CZ-CD1 3.44Å; L172-L281 HydrophobicContact CD1-CD1 4.47Å; L172-L281 HydrophobicContact CD1-CD2 3.74Å; L172-L281 HydrophobicContact CD2-CD1 4.19Å; I201-L281 HydrophobicContact CD1-CD2 3.56Å; L277-L281 HydrophobicContact CD1-CD1 4Å; L277-L281 HydrophobicContact CD1-CD2 4.38Å; L277-L281 HydrophobicContact CD1-CG 3.96Å; L277-L281 HydrophobicContact CG-CD1 3.95Å; L277-L281 HydrophobicContact CG-CG 4.33Å; L277-L281 VanDerWaalsContact O-CG 3.3Å; L277-L281 WeakPolarHBondContact O-CG 3.36Å; L277-L281 PolarHBondContact O-N 3.39Å; Q278-L281 PolarHBondContact O-N 2.99Å; L281-Q284 PolarHBondContact O-N 3.01Å; L281-L285 WeakPolarHBondContact O-CB 3.31Å; L281-L285 PolarHBondContact O-N 2.96Å |
| 282 | N | 78.2 | Confident | 82 | Confident | 34 Ų | 34 | 35.8 Ų | 35.8 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.4 | -49.4 | 175.8 | -177.7 | -100.3 | 0 | 0 | 0 | 111.3 | L130 N131 L132 Q278 V280 Q284 L285 T286 | L130-N282 HydrophobicContact CD1-CB 3.73Å; N131-N282 PolarHBondContact O-ND2 3.04Å; L132-N282 HydrophobicContact CD2-CB 4.05Å; Q278-N282 WeakPolarHBondContact O-CB 3.41Å; Q278-N282 PolarHBondContact O-N 3.3Å; V280-N282 VanDerWaalsContact C-N 3.35Å; V280-N282 PolarHBondContact O-N 2.92Å; N282-Q284 VanDerWaalsContact C-N 3.34Å; N282-Q284 PolarHBondContact O-N 3.11Å; N282-L285 PolarHBondContact O-N 3.46Å; N282-T286 WeakPolarHBondContact O-CB 3.45Å; N282-T286 PolarHBondContact O-N 3.35Å; N282-T286 PolarHBondContact O-OG1 3.41Å |
| 283 | Q | 80.6 | Confident | 81.1 | Confident | 81 Ų | 81 | 35.9 Ų | 35.9 | 38% | 0.379 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 177.8 | -175.2 | 174.4 | 22.6 | 0 | 0 | 112.4 | K279 V280 N287 | K279-Q283 WeakPolarHBondContact O-CB 3.36Å; K279-Q283 PolarHBondContact O-N 3.5Å; V280-Q283 PolarHBondContact O-N 3.08Å; Q283-N287 WeakPolarHBondContact O-CB 3.22Å; Q283-N287 VanDerWaalsContact O-CG 3.28Å; Q283-N287 PolarHBondContact O-N 3.39Å; Q283-N287 PolarHBondContact O-ND2 2.96Å |
| 284 | Q | 81.4 | Confident | 80.5 | Confident | 31 Ų | 31 | 39.9 Ų | 39.9 | 15% | 0.145 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.5 | -38.9 | -178.9 | -64.3 | -61 | 7.4 | 0 | 0 | 112.1 | L170 I201 V280 L281 N282 N287 H288 | L170-Q284 HydrophobicContact CD1-CB 4.32Å; I201-Q284 HydrophobicContact CD1-CB 4.32Å; I201-Q284 HydrophobicContact CD1-CG 4.29Å; V280-Q284 HydrophobicContact CG1-CG 3.92Å; V280-Q284 WeakPolarHBondContact O-CB 3.2Å; V280-Q284 WeakPolarHBondContact O-CG 3.44Å; V280-Q284 PolarHBondContact O-N 3.23Å; L281-Q284 PolarHBondContact O-N 3.01Å; N282-Q284 VanDerWaalsContact C-N 3.34Å; N282-Q284 PolarHBondContact O-N 3.11Å; Q284-N287 PolarHBondContact O-N 3.46Å; Q284-H288 WeakPolarHBondContact O-CB 3.44Å; Q284-H288 PolarHBondContact O-N 2.85Å |
| 285 | L | 76.6 | Confident | 80.1 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -45.4 | 174.8 | -178.2 | 59.2 | 0 | 0 | 0 | 110.9 | I10 P32 I34 L132 L281 N282 N287 H288 I289 | I10-L285 HydrophobicContact CD1-CD2 4.05Å; I10-L285 HydrophobicContact CG1-CD2 4.49Å; P32-L285 HydrophobicContact CB-CD1 4.21Å; I34-L285 HydrophobicContact CD1-CB 4.27Å; I34-L285 HydrophobicContact CD1-CD2 4.29Å; I34-L285 HydrophobicContact CG1-CD1 4.29Å; L132-L285 HydrophobicContact CD2-CD2 3.91Å; L281-L285 WeakPolarHBondContact O-CB 3.31Å; L281-L285 PolarHBondContact O-N 2.96Å; N282-L285 PolarHBondContact O-N 3.46Å; L285-N287 PolarHBondContact O-N 2.96Å; L285-H288 PolarHBondContact O-N 3.21Å; L285-I289 HydrophobicContact CD1-CD1 4.04Å; L285-I289 HydrophobicContact CD1-CG1 4.19Å; L285-I289 HydrophobicContact CG-CD1 3.79Å; L285-I289 HydrophobicContact CG-CG1 4.4Å; L285-I289 WeakPolarHBondContact O-CB 3.36Å; L285-I289 WeakPolarHBondContact O-CD1 3.49Å; L285-I289 WeakPolarHBondContact O-CG1 3.48Å; L285-I289 PolarHBondContact O-N 2.92Å |
| 286 | T | 74.4 | Confident | 79.6 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.5 | -46.7 | 177.1 | -60 | 0 | 0 | 0 | 0 | 111.9 | M6 L9 N282 I289 R290 | M6-T286 HydrophobicContact CB-CG2 3.71Å; M6-T286 HydrophobicContact CG-CG2 3.54Å; M6-T286 HydrophobicContact SD-CG2 3.82Å; L9-T286 HydrophobicContact CD1-CG2 3.59Å; N282-T286 WeakPolarHBondContact O-CB 3.45Å; N282-T286 PolarHBondContact O-N 3.35Å; N282-T286 PolarHBondContact O-OG1 3.41Å; T286-I289 PolarHBondContact O-N 3.33Å; T286-R290 PolarHBondContact O-N 3.2Å |
| 287 | N | 78.3 | Confident | 79.3 | Confident | 25 Ų | 25 | 39.8 Ų | 39.8 | 13% | 0.134 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -44.6 | 176.9 | -72.7 | -19.6 | 0 | 0 | 0 | 111.5 | Q283 Q284 L285 I289 R290 D291 | Q283-N287 WeakPolarHBondContact O-CB 3.22Å; Q283-N287 VanDerWaalsContact O-CG 3.28Å; Q283-N287 PolarHBondContact O-N 3.39Å; Q283-N287 PolarHBondContact O-ND2 2.96Å; Q284-N287 PolarHBondContact O-N 3.46Å; L285-N287 PolarHBondContact O-N 2.96Å; N287-I289 PolarHBondContact O-N 2.93Å; N287-R290 WeakPolarHBondContact O-CB 3.39Å; N287-R290 PolarHBondContact O-N 2.86Å; N287-D291 PolarHBondContact O-N 3.35Å |
| 288 | H | 75.3 | Confident | 79 | Confident | 21 Ų | 21 | 42.5 Ų | 42.5 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.8 | -39 | 179.8 | -171.8 | 63.4 | 0 | 0 | 0 | 112.5 | N168 L170 Q284 L285 R290 D291 T292 | N168-H288 WeakPolarHBondContact CA-NE2 3.19Å; N168-H288 PolarHBondContact O-CD2 3.3Å; N168-H288 PolarHBondContact O-NE2 3.03Å; L170-H288 HydrophobicContact CD1-CB 4.07Å; L170-H288 HydrophobicContact CD2-CB 4.36Å; L170-H288 HydrophobicContact CG-CB 4.36Å; Q284-H288 WeakPolarHBondContact O-CB 3.44Å; Q284-H288 PolarHBondContact O-N 2.85Å; L285-H288 PolarHBondContact O-N 3.21Å; H288-R290 VanDerWaalsContact C-N 3.33Å; H288-R290 PolarHBondContact O-N 2.65Å; H288-D291 PolarHBondContact O-N 2.96Å; H288-T292 WeakPolarHBondContact O-CB 3.26Å; H288-T292 VanDerWaalsContact O-CG2 3.28Å; H288-T292 WeakPolarHBondContact O-CG2 3.49Å; H288-T292 PolarHBondContact O-N 3.26Å; H288-T292 VanDerWaalsContact O-N 3.11Å; H288-T292 PolarHBondContact O-OG1 3.01Å |
| 289 | I | 74.3 | Confident | 79 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58 | -48.2 | 171.3 | -71.2 | 162.4 | 0 | 0 | 0 | 110.3 | I10 V13 P32 L285 T286 N287 D291 T292 L293 | I10-I289 HydrophobicContact CG1-CD1 4.02Å; V13-I289 HydrophobicContact CG2-CD1 4.01Å; V13-I289 HydrophobicContact CG2-CG1 4.21Å; V13-I289 HydrophobicContact CG2-CG2 3.79Å; P32-I289 HydrophobicContact CB-CB 4.41Å; P32-I289 HydrophobicContact CB-CG1 3.46Å; P32-I289 VanDerWaalsContact CB-CG1 3.46Å; P32-I289 HydrophobicContact CG-CB 4.25Å; P32-I289 HydrophobicContact CG-CG1 3.71Å; L285-I289 HydrophobicContact CD1-CD1 4.04Å; L285-I289 HydrophobicContact CD1-CG1 4.19Å; L285-I289 HydrophobicContact CG-CD1 3.79Å; L285-I289 HydrophobicContact CG-CG1 4.4Å; L285-I289 WeakPolarHBondContact O-CB 3.36Å; L285-I289 WeakPolarHBondContact O-CD1 3.49Å; L285-I289 WeakPolarHBondContact O-CG1 3.48Å; L285-I289 PolarHBondContact O-N 2.92Å; T286-I289 PolarHBondContact O-N 3.33Å; N287-I289 PolarHBondContact O-N 2.93Å; I289-D291 PolarHBondContact O-N 3.4Å; I289-T292 PolarHBondContact O-N 3.15Å; I289-T292 PolarHBondContact O-OG1 3.37Å; I289-T292 VanDerWaalsContact O-OG1 3.12Å; I289-L293 HydrophobicContact CG2-CD1 3.7Å; I289-L293 HydrophobicContact CG2-CG 4.02Å; I289-L293 WeakPolarHBondContact O-CB 3.38Å; I289-L293 WeakPolarHBondContact O-CG 3.38Å; I289-L293 PolarHBondContact O-N 3.4Å |
| 290 | R | 73.8 | Confident | 79 | Confident | 78 Ų | 78 | 38.3 Ų | 38.3 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 179.6 | -179 | -173.1 | 179 | 145.8 | 10.5 | 112.6 | T286 N287 H288 T292 P294 T750 V751 S752 | T286-R290 PolarHBondContact O-N 3.2Å; N287-R290 WeakPolarHBondContact O-CB 3.39Å; N287-R290 PolarHBondContact O-N 2.86Å; H288-R290 VanDerWaalsContact C-N 3.33Å; H288-R290 PolarHBondContact O-N 2.65Å; R290-T292 VanDerWaalsContact C-N 3.31Å; R290-T292 PolarHBondContact O-N 2.79Å; R290-P294 VanDerWaalsContact O-CD 3.23Å; R290-P294 WeakPolarHBondContact O-CD 3.4Å; R290-T750 PolarHBondContact NH1-O 2.85Å; R290-T750 VanDerWaalsContact NH1-O 3.17Å; R290-T750 PolarHBondContact NH2-O 3.17Å; R290-V751 PolarHBondContact NH1-O 3.26Å; R290-S752 VanDerWaalsContact NH1-N 3.14Å |
| 291 | D | 75.7 | Confident | 79 | Confident | 103 Ų | 103 | 42.1 Ų | 42.1 | 55% | 0.551 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -69 | -31.2 | -176.2 | -68.8 | -15.8 | 0 | 0 | 0 | 112.1 | N287 H288 I289 | N287-D291 PolarHBondContact O-N 3.35Å; H288-D291 PolarHBondContact O-N 2.96Å; I289-D291 PolarHBondContact O-N 3.4Å |
| 292 | T | 74.5 | Confident | 79.1 | Confident | 19 Ų | 19 | 46 Ų | 46 | 12% | 0.117 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -89.6 | -23.9 | -177.8 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | P32 N168 H288 I289 R290 G295 L296 | P32-T292 WeakPolarHBondContact CG-OG1 3.42Å; N168-T292 HydrophobicContact CB-CG2 4.34Å; N168-T292 VanDerWaalsContact OD1-CG2 3.23Å; N168-T292 WeakPolarHBondContact OD1-CG2 3.44Å; H288-T292 WeakPolarHBondContact O-CB 3.26Å; H288-T292 VanDerWaalsContact O-CG2 3.28Å; H288-T292 WeakPolarHBondContact O-CG2 3.49Å; H288-T292 PolarHBondContact O-N 3.26Å; H288-T292 VanDerWaalsContact O-N 3.11Å; H288-T292 PolarHBondContact O-OG1 3.01Å; I289-T292 PolarHBondContact O-N 3.15Å; I289-T292 PolarHBondContact O-OG1 3.37Å; I289-T292 VanDerWaalsContact O-OG1 3.12Å; R290-T292 VanDerWaalsContact C-N 3.31Å; R290-T292 PolarHBondContact O-N 2.79Å; T292-G295 PolarHBondContact O-N 3.31Å; T292-G295 VanDerWaalsContact O-N 3.15Å; T292-L296 PolarHBondContact O-N 3.18Å |
| 293 | L | 75.7 | Confident | 79.4 | Confident | 14 Ų | 14 | 48 Ų | 48 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.4 | -42.1 | -178.7 | -90.4 | 170.5 | 0 | 0 | 0 | 114.9 | L9 I289 G295 L296 R297 I743 I746 | L9-L293 HydrophobicContact CD2-CD1 4.41Å; I289-L293 HydrophobicContact CG2-CD1 3.7Å; I289-L293 HydrophobicContact CG2-CG 4.02Å; I289-L293 WeakPolarHBondContact O-CB 3.38Å; I289-L293 WeakPolarHBondContact O-CG 3.38Å; I289-L293 PolarHBondContact O-N 3.4Å; L293-G295 VanDerWaalsContact C-N 3.33Å; L293-G295 PolarHBondContact O-N 3.11Å; L293-L296 PolarHBondContact O-N 3.43Å; L293-R297 WeakPolarHBondContact O-CB 3.35Å; L293-R297 PolarHBondContact O-N 3.08Å; L293-I743 HydrophobicContact CD2-CG1 4.13Å; L293-I743 HydrophobicContact CD2-CG2 4.43Å; L293-I746 HydrophobicContact CD1-CB 4.35Å; L293-I746 HydrophobicContact CD1-CD1 3.64Å; L293-I746 HydrophobicContact CD1-CG2 3.57Å; L293-I746 HydrophobicContact CD2-CD1 3.76Å; L293-I746 HydrophobicContact CG-CD1 4.38Å |
| 294 | P | 80.4 | Confident | 79.7 | Confident | 85 Ų | 85 | 45.1 Ų | 45.1 | 55% | 0.552 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60 | -41.3 | 176 | -25.5 | 34.8 | 0 | 0 | 0 | 113 | R290 R297 A298 | R290-P294 VanDerWaalsContact O-CD 3.23Å; R290-P294 WeakPolarHBondContact O-CD 3.4Å; P294-R297 PolarHBondContact O-N 3.41Å; P294-A298 PolarHBondContact O-N 2.66Å; P294-A298 VanDerWaalsContact O-N 3.08Å |
| 295 | G | 80.4 | Confident | 80 | Confident | 50 Ų | 50 | 49.6 Ų | 49.6 | 52% | 0.515 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | T292 L293 R297 A298 K299 | T292-G295 PolarHBondContact O-N 3.31Å; T292-G295 VanDerWaalsContact O-N 3.15Å; L293-G295 VanDerWaalsContact C-N 3.33Å; L293-G295 PolarHBondContact O-N 3.11Å; G295-R297 PolarHBondContact O-N 2.94Å; G295-A298 PolarHBondContact O-N 3.1Å; G295-K299 PolarHBondContact O-N 3.22Å |
| 296 | L | 77 | Confident | 80.4 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 6% | 0.063 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 175.3 | -177.2 | 61.7 | 0 | 0 | 0 | 111.8 | M16 L29 L31 T292 L293 A298 K299 L300 I743 | M16-L296 HydrophobicContact CE-CD2 3.91Å; L29-L296 HydrophobicContact CD2-CD1 3.87Å; L31-L296 HydrophobicContact CD2-CD2 3.67Å; T292-L296 PolarHBondContact O-N 3.18Å; L293-L296 PolarHBondContact O-N 3.43Å; L296-A298 PolarHBondContact O-N 3.04Å; L296-K299 PolarHBondContact O-N 2.76Å; L296-L300 HydrophobicContact CD1-CD1 4.41Å; L296-L300 HydrophobicContact CD1-CG 4.35Å; L296-L300 HydrophobicContact CG-CD1 4.15Å; L296-L300 HydrophobicContact CG-CG 4.49Å; L296-L300 WeakPolarHBondContact O-CG 3.37Å; L296-L300 PolarHBondContact O-N 3.09Å; L296-I743 HydrophobicContact CD2-CD1 4.45Å; L296-I743 HydrophobicContact CG-CD1 4.36Å |
| 297 | R | 82.2 | Confident | 80.9 | Confident | 90 Ų | 90 | 54.1 Ų | 54.1 | 34% | 0.34 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.7 | -48.3 | 175.9 | -173.5 | -179.4 | 167.7 | 140.4 | -1.6 | 111.5 | L293 P294 G295 K299 L300 Q301 L740 I743 | L293-R297 WeakPolarHBondContact O-CB 3.35Å; L293-R297 PolarHBondContact O-N 3.08Å; P294-R297 PolarHBondContact O-N 3.41Å; G295-R297 PolarHBondContact O-N 2.94Å; R297-K299 VanDerWaalsContact C-N 3.34Å; R297-K299 PolarHBondContact O-N 3.24Å; R297-L300 PolarHBondContact O-N 3.03Å; R297-Q301 HydrophobicContact CG-CG 4.45Å; R297-Q301 WeakPolarHBondContact O-CB 3.33Å; R297-Q301 VanDerWaalsContact O-CG 3.31Å; R297-Q301 WeakPolarHBondContact O-CG 3.34Å; R297-Q301 PolarHBondContact O-N 2.95Å; R297-L740 HydrophobicContact CG-CD2 4.05Å; R297-I743 HydrophobicContact CB-CD1 4.31Å; R297-I743 HydrophobicContact CB-CG2 4.03Å; R297-I743 HydrophobicContact CG-CG2 4.1Å |
| 298 | A | 83.3 | Confident | 81.2 | Confident | 56 Ų | 56 | 55.8 Ų | 55.8 | 46% | 0.463 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P294 G295 L296 Q301 S302 | P294-A298 PolarHBondContact O-N 2.66Å; P294-A298 VanDerWaalsContact O-N 3.08Å; G295-A298 PolarHBondContact O-N 3.1Å; L296-A298 PolarHBondContact O-N 3.04Å; A298-Q301 PolarHBondContact O-N 3.07Å; A298-S302 PolarHBondContact O-N 2.82Å |
| 299 | K | 82.6 | Confident | 81.4 | Confident | 84 Ų | 84 | 62.4 Ų | 62.4 | 37% | 0.365 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.1 | -48.9 | 175.5 | -171.5 | 179.5 | -177.2 | -177.6 | 0 | 111.5 | N28 D30 G295 L296 R297 Q301 S302 Q303 | N28-K299 PolarHBondContact O-NZ 3.08Å; D30-K299 IonicContact OD2-NZ 3.84Å; G295-K299 PolarHBondContact O-N 3.22Å; L296-K299 PolarHBondContact O-N 2.76Å; R297-K299 VanDerWaalsContact C-N 3.34Å; R297-K299 PolarHBondContact O-N 3.24Å; K299-Q301 PolarHBondContact O-N 3Å; K299-S302 PolarHBondContact O-N 2.82Å; K299-Q303 WeakPolarHBondContact O-CG 3.4Å; K299-Q303 PolarHBondContact O-N 2.92Å |
| 300 | L | 83.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 178.3 | -69.8 | 177 | 0 | 0 | 0 | 112.6 | M16 F20 L29 L296 R297 Q303 L304 L736 A739 L740 I743 | M16-L300 HydrophobicContact CE-CD1 3.98Å; F20-L300 HydrophobicContact CE1-CD2 4.35Å; F20-L300 HydrophobicContact CZ-CD1 4.37Å; F20-L300 HydrophobicContact CZ-CD2 3.69Å; L29-L300 HydrophobicContact CD2-CD2 3.7Å; L296-L300 HydrophobicContact CD1-CD1 4.41Å; L296-L300 HydrophobicContact CD1-CG 4.35Å; L296-L300 HydrophobicContact CG-CD1 4.15Å; L296-L300 HydrophobicContact CG-CG 4.49Å; L296-L300 WeakPolarHBondContact O-CG 3.37Å; L296-L300 PolarHBondContact O-N 3.09Å; R297-L300 PolarHBondContact O-N 3.03Å; L300-Q303 PolarHBondContact O-N 2.8Å; L300-L304 WeakPolarHBondContact O-CB 3.29Å; L300-L304 PolarHBondContact O-N 3.15Å; L300-L736 HydrophobicContact CD2-CD2 3.59Å; L300-A739 HydrophobicContact CD1-CB 4.1Å; L300-L740 HydrophobicContact CB-CD2 3.77Å; L300-L740 HydrophobicContact CB-CG 4.08Å; L300-I743 HydrophobicContact CD1-CD1 3.6Å |
| 301 | Q | 86.6 | Confident | 81.8 | Confident | 93 Ų | 93 | 62.8 Ų | 62.8 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 174.6 | -76.3 | 179.8 | -40.2 | 0 | 0 | 111.8 | R297 A298 K299 L304 L305 L740 | R297-Q301 HydrophobicContact CG-CG 4.45Å; R297-Q301 WeakPolarHBondContact O-CB 3.33Å; R297-Q301 VanDerWaalsContact O-CG 3.31Å; R297-Q301 WeakPolarHBondContact O-CG 3.34Å; R297-Q301 PolarHBondContact O-N 2.95Å; A298-Q301 PolarHBondContact O-N 3.07Å; K299-Q301 PolarHBondContact O-N 3Å; Q301-L304 PolarHBondContact O-N 2.97Å; Q301-L305 WeakPolarHBondContact O-CB 3.25Å; Q301-L305 PolarHBondContact O-N 2.81Å; Q301-L740 HydrophobicContact CG-CD1 4.09Å; Q301-L740 HydrophobicContact CG-CD2 3.67Å |
| 302 | S | 86.9 | Confident | 81.7 | Confident | 81 Ų | 81 | 62.7 Ų | 62.7 | 57% | 0.566 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 176.2 | -172.5 | 0 | 0 | 0 | 0 | 111.9 | A298 K299 L305 S306 | A298-S302 PolarHBondContact O-N 2.82Å; K299-S302 PolarHBondContact O-N 2.82Å; S302-L305 PolarHBondContact O-N 3.09Å; S302-S306 PolarHBondContact O-N 3.11Å; S302-S306 VanDerWaalsContact O-N 3.14Å |
| 303 | Q | 84.4 | Confident | 81.4 | Confident | 76 Ų | 76 | 67.4 Ų | 67.4 | 36% | 0.355 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 176.5 | -73.6 | -175.8 | -37.2 | 0 | 0 | 112.2 | K299 L300 L305 S306 I307 L736 | K299-Q303 WeakPolarHBondContact O-CG 3.4Å; K299-Q303 PolarHBondContact O-N 2.92Å; L300-Q303 PolarHBondContact O-N 2.8Å; Q303-L305 VanDerWaalsContact C-N 3.34Å; Q303-S306 PolarHBondContact O-N 3.22Å; Q303-S306 PolarHBondContact O-OG 3.44Å; Q303-I307 PolarHBondContact O-N 2.8Å; Q303-L736 HydrophobicContact CB-CD1 4.2Å; Q303-L736 HydrophobicContact CB-CD2 4.45Å |
| 304 | L | 86.3 | Confident | 81 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 12% | 0.115 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 175 | -179.3 | 64.6 | 0 | 0 | 0 | 110.5 | L300 Q301 S306 I307 E308 Y733 L736 R737 L740 | L300-L304 WeakPolarHBondContact O-CB 3.29Å; L300-L304 PolarHBondContact O-N 3.15Å; Q301-L304 PolarHBondContact O-N 2.97Å; L304-S306 VanDerWaalsContact C-N 3.35Å; L304-S306 PolarHBondContact O-N 3.39Å; L304-I307 PolarHBondContact O-N 3.31Å; L304-E308 WeakPolarHBondContact O-CB 3.38Å; L304-E308 PolarHBondContact O-N 3.31Å; L304-Y733 HydrophobicContact CD1-CD2 3.52Å; L304-Y733 HydrophobicContact CD1-CE2 3.61Å; L304-Y733 HydrophobicContact CD1-CG 4.43Å; L304-L736 HydrophobicContact CB-CB 4.35Å; L304-L736 HydrophobicContact CB-CD1 4.4Å; L304-L736 HydrophobicContact CD1-CB 3.98Å; L304-R737 HydrophobicContact CD1-CG 3.93Å; L304-R737 HydrophobicContact CD2-CG 4.04Å; L304-L740 HydrophobicContact CB-CD1 4.17Å; L304-L740 HydrophobicContact CD2-CD1 3.55Å; L304-L740 HydrophobicContact CG-CD1 4.48Å |
| 305 | L | 88.1 | Confident | 80 | Confident | 124 Ų | 124 | 68 Ų | 68 | 65% | 0.649 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.3 | -39.5 | -179.8 | -174.6 | 68.4 | 0 | 0 | 0 | 112.6 | Q301 S302 Q303 E308 | Q301-L305 WeakPolarHBondContact O-CB 3.25Å; Q301-L305 PolarHBondContact O-N 2.81Å; S302-L305 PolarHBondContact O-N 3.09Å; Q303-L305 VanDerWaalsContact C-N 3.34Å; L305-E308 PolarHBondContact O-N 3.08Å |
| 306 | S | 85.7 | Confident | 78.7 | Confident | 72 Ų | 72 | 71.3 Ų | 71.3 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 177.3 | 58.6 | 0 | 0 | 0 | 0 | 111.9 | S302 Q303 L304 | S302-S306 PolarHBondContact O-N 3.11Å; S302-S306 VanDerWaalsContact O-N 3.14Å; Q303-S306 PolarHBondContact O-N 3.22Å; Q303-S306 PolarHBondContact O-OG 3.44Å; L304-S306 VanDerWaalsContact C-N 3.35Å; L304-S306 PolarHBondContact O-N 3.39Å |
| 307 | I | 84.4 | Confident | 77.7 | Confident | 29 Ų | 29 | 73.2 Ų | 73.2 | 15% | 0.149 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -74.9 | -29.3 | 180 | -70.5 | 159.7 | 0 | 0 | 0 | 111.4 | Q303 L304 K309 E310 V311 M729 M732 Y733 L736 | Q303-I307 PolarHBondContact O-N 2.8Å; L304-I307 PolarHBondContact O-N 3.31Å; I307-K309 VanDerWaalsContact C-N 3.28Å; I307-K309 PolarHBondContact O-N 2.96Å; I307-E310 PolarHBondContact O-N 2.6Å; I307-V311 HydrophobicContact CG2-CG2 3.54Å; I307-V311 WeakPolarHBondContact O-CB 3.35Å; I307-V311 WeakPolarHBondContact O-CG2 3.46Å; I307-V311 PolarHBondContact O-N 3.18Å; I307-M729 HydrophobicContact CB-CE 4.38Å; I307-M729 HydrophobicContact CG1-CE 4.31Å; I307-M729 HydrophobicContact CG2-CE 3.84Å; I307-M732 HydrophobicContact CD1-CG 3.48Å; I307-M732 VanDerWaalsContact CD1-CG 3.48Å; I307-Y733 HydrophobicContact CG2-CD2 4.47Å; I307-L736 HydrophobicContact CD1-CD1 3.63Å |
| 308 | E | 84.1 | Confident | 76.5 | Confident | 60 Ų | 60 | 78.2 Ų | 78.2 | 28% | 0.28 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.6 | -33.9 | -176.6 | -175 | 153.4 | -125.9 | 0 | 0 | 112.4 | L304 L305 V311 E312 K315 Y733 | L304-E308 WeakPolarHBondContact O-CB 3.38Å; L304-E308 PolarHBondContact O-N 3.31Å; L305-E308 PolarHBondContact O-N 3.08Å; E308-V311 PolarHBondContact O-N 3.07Å; E308-E312 WeakPolarHBondContact O-CB 3.47Å; E308-E312 PolarHBondContact O-N 2.92Å; E308-K315 IonicContact OE1-NZ 2.69Å; E308-K315 PolarHBondContact OE1-NZ 3.27Å; E308-Y733 HydrophobicContact CB-CE2 4.27Å; E308-Y733 HydrophobicContact CG-CE2 4.2Å; E308-Y733 PolarHBondContact OE1-OH 2.98Å; E308-Y733 VanDerWaalsContact OE1-OH 3.12Å |
| 309 | K | 79.1 | Confident | 75.1 | Confident | 161 Ų | 161 | 78.7 Ų | 78.7 | 70% | 0.7 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.6 | -47.3 | 175.6 | -173.2 | -176.9 | 175.6 | -169.8 | 0 | 112 | I307 | I307-K309 VanDerWaalsContact C-N 3.28Å; I307-K309 PolarHBondContact O-N 2.96Å |
| 310 | E | 76.1 | Confident | 74.1 | Confident | 87 Ų | 87 | 81 Ų | 81 | 41% | 0.407 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -71.5 | -38.5 | 179.3 | -66.3 | 176 | -135.1 | 0 | 0 | 110.8 | I307 E312 E313 Y314 M729 | I307-E310 PolarHBondContact O-N 2.6Å; E310-E312 PolarHBondContact O-N 3.45Å; E310-E313 WeakPolarHBondContact O-CB 3.44Å; E310-E313 PolarHBondContact O-N 3.44Å; E310-Y314 HydrophobicContact CB-CE2 4.46Å; E310-Y314 WeakPolarHBondContact O-CD2 3.38Å; E310-Y314 WeakPolarHBondContact O-CE2 3.2Å; E310-Y314 PolarHBondContact O-N 3.39Å; E310-M729 HydrophobicContact CB-CE 3.5Å; E310-M729 VanDerWaalsContact CB-CE 3.5Å; E310-M729 HydrophobicContact CB-SD 4.15Å; E310-M729 HydrophobicContact CG-CE 4.22Å; E310-M729 WeakPolarHBondContact OE2-CE 3.46Å |
| 311 | V | 80.2 | Confident | 73.6 | Confident | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -71.1 | -28.1 | 177 | 173.9 | 0 | 0 | 0 | 0 | 112.6 | I307 E308 E313 Y314 K315 M729 L730 Y733 | I307-V311 HydrophobicContact CG2-CG2 3.54Å; I307-V311 WeakPolarHBondContact O-CB 3.35Å; I307-V311 WeakPolarHBondContact O-CG2 3.46Å; I307-V311 PolarHBondContact O-N 3.18Å; E308-V311 PolarHBondContact O-N 3.07Å; V311-E313 PolarHBondContact O-N 3.02Å; V311-Y314 CarbonylContact O-C 3.35Å; V311-Y314 WeakPolarHBondContact O-CA 3.41Å; V311-Y314 PolarHBondContact O-N 2.93Å; V311-K315 HydrophobicContact CG1-CD 4.47Å; V311-K315 HydrophobicContact CG1-CG 3.91Å; V311-K315 WeakPolarHBondContact O-CG 3.47Å; V311-K315 PolarHBondContact O-N 2.99Å; V311-M729 HydrophobicContact CG2-CB 4.39Å; V311-M729 HydrophobicContact CG2-CE 4.35Å; V311-L730 HydrophobicContact CG1-CD2 3.95Å; V311-Y733 HydrophobicContact CB-CD2 4.22Å; V311-Y733 HydrophobicContact CB-CG 4.39Å; V311-Y733 HydrophobicContact CG1-CD1 4.04Å; V311-Y733 HydrophobicContact CG1-CD2 4.01Å; V311-Y733 HydrophobicContact CG1-CE1 4.4Å; V311-Y733 HydrophobicContact CG1-CE2 4.38Å; V311-Y733 HydrophobicContact CG1-CG 3.83Å; V311-Y733 HydrophobicContact CG2-CD2 4.4Å; V311-Y733 HydrophobicContact CG2-CG 4.35Å |
| 312 | E | 73.9 | Confident | 72.8 | Confident | 102 Ų | 102 | 83 Ų | 83 | 48% | 0.477 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.5 | -35.4 | 171.4 | -154.4 | 72.9 | -157.5 | 0 | 0 | 111.3 | E308 E310 Y314 K315 | E308-E312 WeakPolarHBondContact O-CB 3.47Å; E308-E312 PolarHBondContact O-N 2.92Å; E310-E312 PolarHBondContact O-N 3.45Å; E312-Y314 VanDerWaalsContact C-N 3.33Å; E312-K315 IonicContact OE2-NZ 2.94Å; E312-K315 PolarHBondContact OE2-NZ 3.4Å |
| 313 | E | 68.9 | Low | 72.4 | Confident | 118 Ų | 118 | 82.8 Ų | 82.8 | 55% | 0.551 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -67.8 | -35 | 173 | -56.9 | -179.9 | -178.3 | 0 | 0 | 110.9 | E310 V311 R324 | E310-E313 WeakPolarHBondContact O-CB 3.44Å; E310-E313 PolarHBondContact O-N 3.44Å; V311-E313 PolarHBondContact O-N 3.02Å; E313-R324 PolarHBondContact O-NH1 2.68Å; E313-R324 PolarHBondContact O-NH2 3.19Å |
| 314 | Y | 66.4 | Low | 71.9 | Confident | 28 Ų | 28 | 83.1 Ų | 83.1 | 11% | 0.11 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -86.1 | -20.5 | 177.3 | -56.1 | -54.5 | 0 | 0 | 0 | 115.7 | E310 V311 E312 N316 F317 Q722 R726 M729 | E310-Y314 HydrophobicContact CB-CE2 4.46Å; E310-Y314 WeakPolarHBondContact O-CD2 3.38Å; E310-Y314 WeakPolarHBondContact O-CE2 3.2Å; E310-Y314 PolarHBondContact O-N 3.39Å; V311-Y314 CarbonylContact O-C 3.35Å; V311-Y314 WeakPolarHBondContact O-CA 3.41Å; V311-Y314 PolarHBondContact O-N 2.93Å; E312-Y314 VanDerWaalsContact C-N 3.33Å; Y314-N316 PolarHBondContact O-N 2.97Å; Y314-F317 WeakPolarHBondContact O-CA 3.44Å; Y314-F317 WeakPolarHBondContact O-CB 3.31Å; Y314-F317 PolarHBondContact O-N 2.89Å; Y314-Q722 PolarHBondContact OH-NE2 3.24Å; Y314-R726 VanDerWaalsContact CD1-CD 3.46Å; Y314-R726 HydrophobicContact CD1-CG 3.76Å; Y314-R726 HydrophobicContact CD2-CG 4.44Å; Y314-R726 HydrophobicContact CE1-CB 4.37Å; Y314-R726 HydrophobicContact CE1-CG 4.05Å; Y314-R726 HydrophobicContact CG-CG 3.99Å; Y314-M729 HydrophobicContact CE2-SD 3.9Å |
| 315 | K | 59.2 | Low | 71.4 | Confident | 83 Ų | 83 | 83.9 Ų | 83.9 | 36% | 0.361 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63 | -30.5 | -175.4 | -84.9 | 173.5 | -167.1 | 165.8 | 0 | 113 | E308 V311 E312 F317 Y733 | E308-K315 IonicContact OE1-NZ 2.69Å; E308-K315 PolarHBondContact OE1-NZ 3.27Å; V311-K315 HydrophobicContact CG1-CD 4.47Å; V311-K315 HydrophobicContact CG1-CG 3.91Å; V311-K315 WeakPolarHBondContact O-CG 3.47Å; V311-K315 PolarHBondContact O-N 2.99Å; E312-K315 IonicContact OE2-NZ 2.94Å; E312-K315 PolarHBondContact OE2-NZ 3.4Å; K315-F317 VanDerWaalsContact C-N 3.28Å; K315-Y733 WeakPolarHBondContact CE-OH 3.33Å; K315-Y733 PolarHBondContact NZ-OH 3.16Å |
| 316 | N | 54.7 | Low | 71.1 | Confident | 120 Ų | 120 | 80.3 Ų | 80.3 | 64% | 0.642 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 11.6 | 175.6 | -63.7 | -40.8 | 0 | 0 | 0 | 112.4 | Y314 R318 R324 | Y314-N316 PolarHBondContact O-N 2.97Å; N316-R318 PolarHBondContact O-N 3.46Å; N316-R324 PolarHBondContact O-NH1 3.47Å |
| 317 | F | 54.5 | Low | 71 | Confident | 52 Ų | 52 | 83.1 Ų | 83.1 | 23% | 0.228 | 40% | 0.403 | C | S | . | . | trans | -82.3 | 102.4 | -173.2 | -164.3 | -88.5 | 0 | 0 | 0 | 109.7 | Y314 K315 P319 R324 E718 R726 | Y314-F317 WeakPolarHBondContact O-CA 3.44Å; Y314-F317 WeakPolarHBondContact O-CB 3.31Å; Y314-F317 PolarHBondContact O-N 2.89Å; K315-F317 VanDerWaalsContact C-N 3.28Å; F317-P319 HydrophobicContact CD1-CG 4.04Å; F317-P319 HydrophobicContact CE1-CB 3.91Å; F317-P319 HydrophobicContact CE1-CG 3.75Å; F317-R324 VanDerWaalsContact CA-NH1 3.28Å; F317-E718 VanDerWaalsContact CE2-OE1 3.25Å; F317-E718 WeakPolarHBondContact CE2-OE1 3.29Å; F317-E718 VanDerWaalsContact CZ-CD 3.48Å; F317-E718 HydrophobicContact CZ-CG 4.5Å; F317-E718 WeakPolarHBondContact CZ-OE1 3.37Å; F317-E718 WeakPolarHBondContact CZ-OE2 3.42Å; F317-R726 VanDerWaalsContact CD1-NH1 3.3Å; F317-R726 VanDerWaalsContact CE1-NH1 3.33Å; F317-R726 VanDerWaalsContact CE1-NH2 3.3Å | ||
| 318 | R | 57.3 | Low | 70.9 | Confident | 195 Ų | 195 | 82.5 Ų | 82.5 | 74% | 0.736 | 40% | 0.402 | S | S | * | . | trans | -101.3 | 115.6 | 156.6 | -72.5 | -175.9 | 176.4 | -176.1 | -1 | 106.4 | N316 D320 D321 | N316-R318 PolarHBondContact O-N 3.46Å; R318-D320 PolarHBondContact O-N 3.12Å; R318-D321 HydrophobicContact CB-CB 4.11Å; R318-D321 PolarHBondContact O-N 3.49Å; R318-D321 VanDerWaalsContact O-N 3.14Å | ||
| 319 | P | 55.4 | Low | 71 | Confident | 66 Ų | 66 | 79.7 Ų | 79.7 | 43% | 0.429 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -24.5 | -179.2 | -19.4 | 25.5 | 0 | 0 | 0 | 113.1 | F317 K325 | F317-P319 HydrophobicContact CD1-CG 4.04Å; F317-P319 HydrophobicContact CE1-CB 3.91Å; F317-P319 HydrophobicContact CE1-CG 3.75Å; P319-K325 WeakPolarHBondContact O-CE 3.17Å; P319-K325 PolarHBondContact O-NZ 2.91Å; P319-K325 VanDerWaalsContact O-NZ 3.15Å |
| 320 | D | 61.7 | Low | 71.5 | Confident | 131 Ų | 131 | 75 Ų | 75 | 70% | 0.701 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 10.9 | -173.5 | -57.8 | -38 | 0 | 0 | 0 | 114.4 | R318 P322 | R318-D320 PolarHBondContact O-N 3.12Å; D320-P322 WeakPolarHBondContact O-CD 3.44Å |
| 321 | D | 70.7 | Confident | 72 | Confident | 58 Ų | 58 | 75.5 Ų | 75.5 | 31% | 0.31 | 37% | 0.374 | S | S | . | . | trans | -80.4 | 108.2 | 176.8 | -169.8 | -20.5 | 0 | 0 | 0 | 111.3 | R318 S323 R324 K325 | R318-D321 HydrophobicContact CB-CB 4.11Å; R318-D321 PolarHBondContact O-N 3.49Å; R318-D321 VanDerWaalsContact O-N 3.14Å; D321-S323 VanDerWaalsContact CG-OG 3.27Å; D321-S323 PolarHBondContact O-N 3.28Å; D321-S323 WeakPolarHBondContact OD1-CB 3.03Å; D321-S323 PolarHBondContact OD1-N 3.32Å; D321-S323 PolarHBondContact OD1-OG 3.19Å; D321-S323 PolarHBondContact OD2-OG 3.31Å; D321-R324 HydrophobicContact CB-CB 4.37Å; D321-R324 PolarHBondContact O-N 2.99Å; D321-K325 PolarHBondContact O-N 2.9Å | ||
| 322 | P | 71.7 | Confident | 72.5 | Confident | 77 Ų | 77 | 77.7 Ų | 77.7 | 50% | 0.5 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.1 | -29.4 | -176.5 | -19.2 | 34.7 | 0 | 0 | 0 | 112.4 | D320 R324 K325 T326 | D320-P322 WeakPolarHBondContact O-CD 3.44Å; P322-R324 VanDerWaalsContact C-N 3.27Å; P322-R324 PolarHBondContact O-N 2.93Å; P322-K325 PolarHBondContact O-N 3.38Å; P322-T326 WeakPolarHBondContact O-CB 3.32Å; P322-T326 PolarHBondContact O-N 2.86Å; P322-T326 PolarHBondContact O-OG1 3.43Å |
| 323 | S | 76.8 | Confident | 73.3 | Confident | 77 Ų | 77 | 73.2 Ų | 73.2 | 54% | 0.538 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.4 | -34 | -178.9 | 72.5 | 0 | 0 | 0 | 0 | 111.9 | D321 K327 | D321-S323 VanDerWaalsContact CG-OG 3.27Å; D321-S323 PolarHBondContact O-N 3.28Å; D321-S323 WeakPolarHBondContact OD1-CB 3.03Å; D321-S323 PolarHBondContact OD1-N 3.32Å; D321-S323 PolarHBondContact OD1-OG 3.19Å; D321-S323 PolarHBondContact OD2-OG 3.31Å; S323-K327 PolarHBondContact O-N 3.21Å; S323-K327 VanDerWaalsContact O-N 3.14Å |
| 324 | R | 74.2 | Confident | 74.4 | Confident | 84 Ų | 84 | 73 Ų | 73 | 32% | 0.317 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -79.3 | -40.6 | -179.5 | -157.2 | 179.2 | 179.5 | -177.1 | -8.7 | 111.9 | E313 N316 F317 D321 P322 T326 K327 A328 | E313-R324 PolarHBondContact O-NH1 2.68Å; E313-R324 PolarHBondContact O-NH2 3.19Å; N316-R324 PolarHBondContact O-NH1 3.47Å; F317-R324 VanDerWaalsContact CA-NH1 3.28Å; D321-R324 HydrophobicContact CB-CB 4.37Å; D321-R324 PolarHBondContact O-N 2.99Å; P322-R324 VanDerWaalsContact C-N 3.27Å; P322-R324 PolarHBondContact O-N 2.93Å; R324-T326 VanDerWaalsContact C-N 3.31Å; R324-T326 PolarHBondContact O-N 3.12Å; R324-K327 PolarHBondContact O-N 2.94Å; R324-A328 WeakPolarHBondContact O-CB 3.29Å; R324-A328 PolarHBondContact O-N 3.35Å |
| 325 | K | 76.6 | Confident | 75.6 | Confident | 38 Ų | 38 | 76.3 Ų | 76.3 | 17% | 0.165 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59 | -43.6 | 172.6 | -69 | -175 | -178 | 178.4 | 0 | 111.4 | P319 D321 P322 K327 A328 L329 N713 M716 | P319-K325 WeakPolarHBondContact O-CE 3.17Å; P319-K325 PolarHBondContact O-NZ 2.91Å; P319-K325 VanDerWaalsContact O-NZ 3.15Å; D321-K325 PolarHBondContact O-N 2.9Å; P322-K325 PolarHBondContact O-N 3.38Å; K325-K327 PolarHBondContact O-N 3.39Å; K325-A328 PolarHBondContact O-N 3.28Å; K325-L329 WeakPolarHBondContact O-CB 3.41Å; K325-L329 PolarHBondContact O-N 3.19Å; K325-N713 WeakPolarHBondContact CD-OD1 3.45Å; K325-N713 PolarHBondContact NZ-OD1 2.96Å; K325-M716 HydrophobicContact CB-CB 4.27Å; K325-M716 HydrophobicContact CB-CG 4.28Å; K325-M716 HydrophobicContact CD-CB 4.16Å; K325-M716 HydrophobicContact CG-CB 4.21Å |
| 326 | T | 82.1 | Confident | 77.2 | Confident | 49 Ų | 49 | 72.5 Ų | 72.5 | 30% | 0.301 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.1 | -46.9 | 174.5 | -56 | 0 | 0 | 0 | 0 | 111.5 | P322 R324 L330 Y707 | P322-T326 WeakPolarHBondContact O-CB 3.32Å; P322-T326 PolarHBondContact O-N 2.86Å; P322-T326 PolarHBondContact O-OG1 3.43Å; R324-T326 VanDerWaalsContact C-N 3.31Å; R324-T326 PolarHBondContact O-N 3.12Å; T326-L330 WeakPolarHBondContact O-CB 3.33Å; T326-L330 PolarHBondContact O-N 2.99Å; T326-L330 VanDerWaalsContact O-N 3.08Å; T326-Y707 WeakPolarHBondContact CG2-OH 3.17Å |
| 327 | K | 83.8 | Confident | 79.1 | Confident | 130 Ų | 130 | 67.1 Ų | 67.1 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.2 | -44 | 177.8 | -175.6 | 179.3 | 177.5 | -178 | 0 | 112.3 | S323 R324 K325 L330 Q331 | S323-K327 PolarHBondContact O-N 3.21Å; S323-K327 VanDerWaalsContact O-N 3.14Å; R324-K327 PolarHBondContact O-N 2.94Å; K325-K327 PolarHBondContact O-N 3.39Å; K327-L330 PolarHBondContact O-N 3.33Å; K327-Q331 WeakPolarHBondContact O-CG 3.25Å; K327-Q331 PolarHBondContact O-N 2.97Å |
| 328 | A | 82.2 | Confident | 80.9 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 13% | 0.132 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R324 K325 L330 Q331 M332 M716 | R324-A328 WeakPolarHBondContact O-CB 3.29Å; R324-A328 PolarHBondContact O-N 3.35Å; K325-A328 PolarHBondContact O-N 3.28Å; A328-L330 VanDerWaalsContact C-N 3.33Å; A328-L330 PolarHBondContact O-N 2.93Å; A328-Q331 PolarHBondContact O-N 2.98Å; A328-M332 WeakPolarHBondContact O-CB 3.39Å; A328-M332 VanDerWaalsContact O-CG 3.23Å; A328-M332 WeakPolarHBondContact O-CG 3.47Å; A328-M332 PolarHBondContact O-N 3.19Å; A328-M716 HydrophobicContact CB-CE 3.71Å |
| 329 | L | 86.6 | Confident | 82.5 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.5 | -49.8 | 173.7 | 177.1 | 61.2 | 0 | 0 | 0 | 111.2 | K325 Q331 M332 V333 L452 L703 L706 Y707 L715 M716 | K325-L329 WeakPolarHBondContact O-CB 3.41Å; K325-L329 PolarHBondContact O-N 3.19Å; L329-Q331 PolarHBondContact O-N 2.93Å; L329-M332 PolarHBondContact O-N 3.36Å; L329-V333 HydrophobicContact CD1-CG2 4.06Å; L329-V333 HydrophobicContact CG-CG2 4.49Å; L329-V333 VanDerWaalsContact O-CG2 3.26Å; L329-V333 WeakPolarHBondContact O-CG2 3.13Å; L329-V333 PolarHBondContact O-N 2.89Å; L329-L452 HydrophobicContact CD1-CD1 3.43Å; L329-L452 VanDerWaalsContact CD1-CD1 3.43Å; L329-L452 HydrophobicContact CD1-CD2 4.1Å; L329-L452 HydrophobicContact CD1-CG 4.42Å; L329-L703 HydrophobicContact CG-CD1 4.32Å; L329-L706 HydrophobicContact CD1-CD1 4.42Å; L329-Y707 HydrophobicContact CD2-CE1 4.11Å; L329-Y707 HydrophobicContact CD2-CE2 4.23Å; L329-L715 HydrophobicContact CD1-CD2 4.25Å; L329-M716 HydrophobicContact CB-CE 4.35Å; L329-M716 HydrophobicContact CB-SD 3.86Å; L329-M716 HydrophobicContact CD1-SD 4Å; L329-M716 HydrophobicContact CG-SD 4.48Å |
| 330 | L | 87.9 | Confident | 84.3 | Confident | 62 Ų | 62 | 55.9 Ų | 55.9 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 178.7 | 179.3 | 143 | 0 | 0 | 0 | 112.1 | T326 K327 A328 Q334 L703 | T326-L330 WeakPolarHBondContact O-CB 3.33Å; T326-L330 PolarHBondContact O-N 2.99Å; T326-L330 VanDerWaalsContact O-N 3.08Å; K327-L330 PolarHBondContact O-N 3.33Å; A328-L330 VanDerWaalsContact C-N 3.33Å; A328-L330 PolarHBondContact O-N 2.93Å; L330-Q334 HydrophobicContact CD2-CG 4.47Å; L330-Q334 WeakPolarHBondContact O-CB 3.19Å; L330-Q334 VanDerWaalsContact O-CG 3.27Å; L330-Q334 WeakPolarHBondContact O-CG 3.48Å; L330-Q334 PolarHBondContact O-N 3.44Å; L330-L703 HydrophobicContact CD1-CD2 4.37Å |
| 331 | Q | 88.2 | Confident | 85.7 | Confident | 99 Ų | 99 | 52.5 Ų | 52.5 | 46% | 0.463 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 177.2 | -74 | 178.7 | -35.7 | 0 | 0 | 112 | K327 A328 L329 Q334 Q335 | K327-Q331 WeakPolarHBondContact O-CG 3.25Å; K327-Q331 PolarHBondContact O-N 2.97Å; A328-Q331 PolarHBondContact O-N 2.98Å; L329-Q331 PolarHBondContact O-N 2.93Å; Q331-Q334 PolarHBondContact O-N 3.23Å; Q331-Q335 WeakPolarHBondContact O-CB 3.46Å; Q331-Q335 PolarHBondContact O-N 3.24Å |
| 332 | M | 88.8 | Confident | 86.7 | Confident | 46 Ų | 46 | 52 Ų | 52 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 179.1 | -69.2 | -61.4 | 158.4 | 0 | 0 | 112 | A328 L329 Q335 F336 L446 Y449 L452 | A328-M332 WeakPolarHBondContact O-CB 3.39Å; A328-M332 VanDerWaalsContact O-CG 3.23Å; A328-M332 WeakPolarHBondContact O-CG 3.47Å; A328-M332 PolarHBondContact O-N 3.19Å; L329-M332 PolarHBondContact O-N 3.36Å; M332-Q335 PolarHBondContact O-N 3.32Å; M332-F336 WeakPolarHBondContact O-CB 3.3Å; M332-F336 PolarHBondContact O-N 3.07Å; M332-L446 HydrophobicContact CB-CD2 3.84Å; M332-L446 HydrophobicContact CG-CD2 4.16Å; M332-L446 HydrophobicContact SD-CD2 3.7Å; M332-Y449 HydrophobicContact CE-CE2 4.26Å; M332-L452 HydrophobicContact CB-CD2 4.02Å; M332-L452 HydrophobicContact CG-CD2 4.41Å |
| 333 | V | 91.9 | Very high | 87.5 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.9 | -43 | 175.6 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | L329 F336 S337 M456 L702 L703 L706 | L329-V333 HydrophobicContact CD1-CG2 4.06Å; L329-V333 HydrophobicContact CG-CG2 4.49Å; L329-V333 VanDerWaalsContact O-CG2 3.26Å; L329-V333 WeakPolarHBondContact O-CG2 3.13Å; L329-V333 PolarHBondContact O-N 2.89Å; V333-F336 PolarHBondContact O-N 3.46Å; V333-S337 PolarHBondContact O-N 3.43Å; V333-M456 HydrophobicContact CB-CE 4.25Å; V333-M456 HydrophobicContact CG2-CE 3.54Å; V333-L702 HydrophobicContact CG1-CD2 4.33Å; V333-L702 HydrophobicContact CG1-CG 4.47Å; V333-L703 HydrophobicContact CB-CD1 4.17Å; V333-L703 HydrophobicContact CG1-CB 4.13Å; V333-L703 HydrophobicContact CG1-CD1 4.3Å; V333-L703 HydrophobicContact CG2-CD1 3.9Å; V333-L706 HydrophobicContact CG2-CD1 3.56Å |
| 334 | Q | 91.4 | Very high | 88.3 | Confident | 114 Ų | 114 | 48.2 Ų | 48.2 | 53% | 0.533 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 175.4 | -76.6 | 177.6 | -13.6 | 0 | 0 | 111.8 | L330 Q331 S337 V338 | L330-Q334 HydrophobicContact CD2-CG 4.47Å; L330-Q334 WeakPolarHBondContact O-CB 3.19Å; L330-Q334 VanDerWaalsContact O-CG 3.27Å; L330-Q334 WeakPolarHBondContact O-CG 3.48Å; L330-Q334 PolarHBondContact O-N 3.44Å; Q331-Q334 PolarHBondContact O-N 3.23Å; Q334-S337 PolarHBondContact O-N 3.32Å; Q334-V338 WeakPolarHBondContact O-CG2 3.36Å; Q334-V338 PolarHBondContact O-N 2.92Å |
| 335 | Q | 91 | Very high | 89 | Confident | 96 Ų | 96 | 49.6 Ų | 49.6 | 45% | 0.449 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 177.3 | -173.9 | 61 | 53.5 | 0 | 0 | 111.5 | Q331 M332 S337 V338 D339 | Q331-Q335 WeakPolarHBondContact O-CB 3.46Å; Q331-Q335 PolarHBondContact O-N 3.24Å; M332-Q335 PolarHBondContact O-N 3.32Å; Q335-S337 VanDerWaalsContact C-N 3.31Å; Q335-S337 PolarHBondContact O-N 3.13Å; Q335-V338 PolarHBondContact O-N 2.92Å; Q335-D339 PolarHBondContact NE2-OD1 2.92Å; Q335-D339 WeakPolarHBondContact O-CB 3.39Å; Q335-D339 VanDerWaalsContact O-CG 3.29Å; Q335-D339 PolarHBondContact O-N 2.69Å |
| 336 | F | 94.1 | Very high | 89.3 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 1% | 0.013 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 175.3 | 171.8 | -99.3 | 0 | 0 | 0 | 111.8 | M332 V333 D339 F340 V439 C442 T443 M456 V460 I698 L702 | M332-F336 WeakPolarHBondContact O-CB 3.3Å; M332-F336 PolarHBondContact O-N 3.07Å; V333-F336 PolarHBondContact O-N 3.46Å; F336-D339 PolarHBondContact O-N 2.94Å; F336-F340 WeakPolarHBondContact O-CB 3.4Å; F336-F340 PolarHBondContact O-N 3.34Å; F336-V439 HydrophobicContact CZ-CG1 4.27Å; F336-C442 HydrophobicContact CD2-CB 3.79Å; F336-C442 HydrophobicContact CE2-CB 3.61Å; F336-T443 HydrophobicContact CD2-CG2 4.11Å; F336-T443 HydrophobicContact CE2-CG2 3.61Å; F336-T443 HydrophobicContact CZ-CG2 4.43Å; F336-M456 HydrophobicContact CB-CE 4.38Å; F336-M456 HydrophobicContact CB-SD 3.76Å; F336-M456 HydrophobicContact CD1-CE 4.46Å; F336-M456 HydrophobicContact CD1-CG 4.4Å; F336-M456 HydrophobicContact CD1-SD 3.58Å; F336-M456 VanDerWaalsContact CD1-SD 3.58Å; F336-M456 HydrophobicContact CD2-SD 3.67Å; F336-M456 HydrophobicContact CE1-CG 4.33Å; F336-M456 HydrophobicContact CE1-SD 4.07Å; F336-M456 HydrophobicContact CE2-SD 4.15Å; F336-M456 HydrophobicContact CG-CE 4.43Å; F336-M456 HydrophobicContact CG-SD 3.36Å; F336-M456 WeakPolarHBondContact CG-SD 3.38Å; F336-M456 HydrophobicContact CZ-CG 4.45Å; F336-M456 HydrophobicContact CZ-SD 4.33Å; F336-V460 HydrophobicContact CE1-CG2 4.11Å; F336-V460 HydrophobicContact CZ-CG2 4.28Å; F336-I698 HydrophobicContact CD1-CG2 3.82Å; F336-I698 HydrophobicContact CE1-CD1 4.03Å; F336-I698 HydrophobicContact CE1-CG1 4.15Å; F336-I698 HydrophobicContact CE1-CG2 3.7Å; F336-I698 HydrophobicContact CZ-CD1 4.48Å; F336-L702 HydrophobicContact CD1-CD2 3.81Å; F336-L702 HydrophobicContact CE1-CD2 3.82Å |
| 337 | S | 93.9 | Very high | 89.1 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 178.1 | -169 | 0 | 0 | 0 | 0 | 112.3 | V333 Q334 Q335 D339 F340 E341 N699 | V333-S337 PolarHBondContact O-N 3.43Å; Q334-S337 PolarHBondContact O-N 3.32Å; Q335-S337 VanDerWaalsContact C-N 3.31Å; Q335-S337 PolarHBondContact O-N 3.13Å; S337-D339 VanDerWaalsContact C-N 3.33Å; S337-D339 PolarHBondContact O-N 3.09Å; S337-F340 PolarHBondContact O-N 2.94Å; S337-E341 WeakPolarHBondContact O-CB 3.44Å; S337-E341 PolarHBondContact O-N 3.24Å; S337-N699 PolarHBondContact OG-ND2 3.23Å; S337-N699 PolarHBondContact OG-OD1 3.36Å |
| 338 | V | 92.3 | Very high | 88.3 | Confident | 63 Ų | 63 | 46.5 Ų | 46.5 | 38% | 0.382 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 177.3 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | Q334 Q335 E341 K342 | Q334-V338 WeakPolarHBondContact O-CG2 3.36Å; Q334-V338 PolarHBondContact O-N 2.92Å; Q335-V338 PolarHBondContact O-N 2.92Å; V338-E341 PolarHBondContact O-N 3.42Å; V338-K342 HydrophobicContact CG1-CD 4.1Å; V338-K342 HydrophobicContact CG1-CG 4.47Å; V338-K342 WeakPolarHBondContact O-CB 3.39Å; V338-K342 VanDerWaalsContact O-CG 3.31Å; V338-K342 WeakPolarHBondContact O-CG 3.44Å; V338-K342 PolarHBondContact O-N 2.99Å |
| 339 | D | 91.1 | Very high | 87.5 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 6% | 0.059 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 179 | -77.2 | -11.2 | 0 | 0 | 0 | 111.9 | Q335 F336 S337 K342 C343 K445 | Q335-D339 PolarHBondContact NE2-OD1 2.92Å; Q335-D339 WeakPolarHBondContact O-CB 3.39Å; Q335-D339 VanDerWaalsContact O-CG 3.29Å; Q335-D339 PolarHBondContact O-N 2.69Å; F336-D339 PolarHBondContact O-N 2.94Å; S337-D339 VanDerWaalsContact C-N 3.33Å; S337-D339 PolarHBondContact O-N 3.09Å; D339-K342 PolarHBondContact O-N 3.31Å; D339-C343 WeakPolarHBondContact O-CB 3.45Å; D339-C343 PolarHBondContact O-N 3.07Å; D339-C343 PolarHBondContact O-SG 3.08Å; D339-C343 VanDerWaalsContact O-SG 3.33Å; D339-K445 VanDerWaalsContact CG-NZ 3.28Å; D339-K445 IonicContact OD1-NZ 2.78Å; D339-K445 PolarHBondContact OD1-NZ 3.38Å; D339-K445 VanDerWaalsContact OD2-CD 3.24Å; D339-K445 WeakPolarHBondContact OD2-CD 3.48Å; D339-K445 WeakPolarHBondContact OD2-CE 3.23Å; D339-K445 IonicContact OD2-NZ 3.31Å; D339-K445 PolarHBondContact OD2-NZ 2.85Å |
| 340 | F | 93.4 | Very high | 86.4 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 1% | 0.013 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 175.8 | -177.1 | -94.4 | 0 | 0 | 0 | 111.2 | F336 S337 C343 I344 L435 T438 V439 T694 I698 | F336-F340 WeakPolarHBondContact O-CB 3.4Å; F336-F340 PolarHBondContact O-N 3.34Å; S337-F340 PolarHBondContact O-N 2.94Å; F340-C343 PolarHBondContact O-N 3.21Å; F340-I344 HydrophobicContact CD1-CG1 4.23Å; F340-I344 HydrophobicContact CE1-CG1 3.85Å; F340-I344 HydrophobicContact CE2-CG1 4.33Å; F340-I344 HydrophobicContact CZ-CD1 4.24Å; F340-I344 HydrophobicContact CZ-CG1 3.91Å; F340-I344 WeakPolarHBondContact O-CG1 3.49Å; F340-I344 PolarHBondContact O-N 3.23Å; F340-L435 HydrophobicContact CZ-CD2 4.21Å; F340-T438 HydrophobicContact CD2-CG2 4.01Å; F340-T438 HydrophobicContact CE2-CG2 4.06Å; F340-V439 HydrophobicContact CD2-CG2 4.23Å; F340-V439 HydrophobicContact CE2-CG2 3.79Å; F340-T694 HydrophobicContact CE1-CG2 4.49Å; F340-T694 HydrophobicContact CZ-CG2 4.17Å; F340-I698 HydrophobicContact CB-CD1 4.49Å; F340-I698 HydrophobicContact CD1-CD1 3.59Å; F340-I698 HydrophobicContact CD2-CD1 4.08Å; F340-I698 HydrophobicContact CE1-CD1 3.71Å; F340-I698 HydrophobicContact CE2-CD1 4.19Å; F340-I698 HydrophobicContact CG-CD1 3.78Å; F340-I698 HydrophobicContact CZ-CD1 4.01Å |
| 341 | E | 91.8 | Very high | 85.4 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 28% | 0.28 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 176 | -175.7 | 167 | -166.2 | 0 | 0 | 111.8 | S337 V338 C343 I344 E345 K695 | S337-E341 WeakPolarHBondContact O-CB 3.44Å; S337-E341 PolarHBondContact O-N 3.24Å; V338-E341 PolarHBondContact O-N 3.42Å; E341-C343 VanDerWaalsContact C-N 3.33Å; E341-C343 PolarHBondContact O-N 3.04Å; E341-I344 PolarHBondContact O-N 3.3Å; E341-E345 HydrophobicContact CG-CG 4.34Å; E341-E345 WeakPolarHBondContact O-CB 3.32Å; E341-E345 PolarHBondContact O-N 3.43Å; E341-K695 VanDerWaalsContact CD-NZ 3.31Å; E341-K695 WeakPolarHBondContact OE1-CE 3.36Å; E341-K695 IonicContact OE1-NZ 2.6Å; E341-K695 PolarHBondContact OE1-NZ 2.93Å |
| 342 | K | 90.3 | Very high | 84.4 | Confident | 48 Ų | 48 | 64.4 Ų | 64.4 | 21% | 0.209 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.6 | -42 | 175.3 | -78.4 | 177.9 | 170 | -176.4 | 0 | 112.7 | V338 D339 G346 S347 D349 | V338-K342 HydrophobicContact CG1-CD 4.1Å; V338-K342 HydrophobicContact CG1-CG 4.47Å; V338-K342 WeakPolarHBondContact O-CB 3.39Å; V338-K342 VanDerWaalsContact O-CG 3.31Å; V338-K342 WeakPolarHBondContact O-CG 3.44Å; V338-K342 PolarHBondContact O-N 2.99Å; D339-K342 PolarHBondContact O-N 3.31Å; K342-G346 WeakPolarHBondContact O-CA 3.14Å; K342-G346 PolarHBondContact O-N 3.29Å; K342-S347 PolarHBondContact O-N 3.13Å; K342-S347 VanDerWaalsContact O-N 3.17Å; K342-D349 IonicContact NZ-OD1 3.57Å; K342-D349 IonicContact NZ-OD2 2.88Å; K342-D349 PolarHBondContact NZ-OD2 3.28Å |
| 343 | C | 89.9 | Confident | 83.8 | Confident | 48 Ų | 48 | 69 Ų | 69 | 32% | 0.324 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.6 | -34 | 178.5 | -73.3 | 0 | 0 | 0 | 0 | 113.2 | D339 F340 E341 G359 T438 | D339-C343 WeakPolarHBondContact O-CB 3.45Å; D339-C343 PolarHBondContact O-N 3.07Å; D339-C343 PolarHBondContact O-SG 3.08Å; D339-C343 VanDerWaalsContact O-SG 3.33Å; F340-C343 PolarHBondContact O-N 3.21Å; E341-C343 VanDerWaalsContact C-N 3.33Å; E341-C343 PolarHBondContact O-N 3.04Å; C343-G359 PolarHBondContact O-N 3.36Å; C343-T438 HydrophobicContact CB-CG2 3.63Å |
| 344 | I | 91.9 | Very high | 82.8 | Confident | 27 Ų | 27 | 72.6 Ų | 72.6 | 14% | 0.138 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -82.1 | -37.3 | 179.7 | -64.2 | -62.4 | 0 | 0 | 0 | 112.1 | F340 E341 G359 I362 L435 T438 I691 | F340-I344 HydrophobicContact CD1-CG1 4.23Å; F340-I344 HydrophobicContact CE1-CG1 3.85Å; F340-I344 HydrophobicContact CE2-CG1 4.33Å; F340-I344 HydrophobicContact CZ-CD1 4.24Å; F340-I344 HydrophobicContact CZ-CG1 3.91Å; F340-I344 WeakPolarHBondContact O-CG1 3.49Å; F340-I344 PolarHBondContact O-N 3.23Å; E341-I344 PolarHBondContact O-N 3.3Å; I344-G359 WeakPolarHBondContact O-CA 3.35Å; I344-I362 HydrophobicContact CD1-CD1 4.01Å; I344-L435 HydrophobicContact CD1-CD2 3.69Å; I344-T438 HydrophobicContact CD1-CG2 4.11Å; I344-T438 HydrophobicContact CG1-CG2 4.49Å; I344-I691 HydrophobicContact CG2-CG2 3.85Å |
| 345 | E | 89.3 | Confident | 82.1 | Confident | 113 Ų | 113 | 74.2 Ų | 74.2 | 53% | 0.528 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -91.7 | -15.1 | -177.4 | -63 | -172.5 | 175.6 | 0 | 0 | 113.5 | E341 K695 | E341-E345 HydrophobicContact CG-CG 4.34Å; E341-E345 WeakPolarHBondContact O-CB 3.32Å; E341-E345 PolarHBondContact O-N 3.43Å; E345-K695 IonicContact OE1-NZ 3Å; E345-K695 PolarHBondContact OE1-NZ 3.49Å |
| 346 | G | 83 | Confident | 81.6 | Confident | 62 Ų | 62 | 74 Ų | 74 | 64% | 0.639 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 23.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K342 | K342-G346 WeakPolarHBondContact O-CA 3.14Å; K342-G346 PolarHBondContact O-N 3.29Å |
| 347 | S | 78.6 | Confident | 80.9 | Confident | 64 Ų | 64 | 76.1 Ų | 76.1 | 45% | 0.448 | 44% | 0.439 | S | S | . | . | trans | -98.6 | 25.8 | -178.2 | 55.2 | 0 | 0 | 0 | 0 | 113.9 | K342 | K342-S347 PolarHBondContact O-N 3.13Å; K342-S347 VanDerWaalsContact O-N 3.17Å | ||
| 348 | G | 66.6 | Low | 80.6 | Confident | 26 Ų | 26 | 75.8 Ų | 75.8 | 27% | 0.268 | 44% | 0.437 | S | S | . | . | trans | -71.2 | 145.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q350 | G348-Q350 VanDerWaalsContact C-N 3.28Å; G348-Q350 PolarHBondContact O-N 2.94Å | ||
| 349 | D | 65.3 | Low | 80.5 | Confident | 138 Ų | 138 | 73.5 Ų | 73.5 | 74% | 0.738 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -72.6 | -22.2 | 177.2 | -54.1 | -54.9 | 0 | 0 | 0 | 112.7 | K342 | K342-D349 IonicContact NZ-OD1 3.57Å; K342-D349 IonicContact NZ-OD2 2.88Å; K342-D349 PolarHBondContact NZ-OD2 3.28Å |
| 350 | Q | 62.8 | Low | 80.5 | Confident | 186 Ų | 186 | 75.4 Ų | 75.4 | 87% | 0.869 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -121 | 113 | 174.9 | -65.5 | -179.4 | 4.9 | 0 | 0 | 108 | G348 | G348-Q350 VanDerWaalsContact C-N 3.28Å; G348-Q350 PolarHBondContact O-N 2.94Å |
| 351 | I | 68.3 | Low | 80.4 | Confident | 138 Ų | 138 | 81 Ų | 81 | 71% | 0.708 | 46% | 0.464 | S | S | * | . | trans | -96.4 | 117.9 | 179.8 | -58.2 | 174.2 | 0 | 0 | 0 | 107.6 | T353 | I351-T353 PolarHBondContact O-N 3.46Š| ||
| 352 | D | 66.2 | Low | 80.6 | Confident | 91 Ų | 91 | 78.4 Ų | 78.4 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | trans | -68.6 | 122.9 | 171.6 | -167.5 | -18.5 | 0 | 0 | 0 | 109.3 | A354 | D352-A354 PolarHBondContact OD1-N 3.02Š| ||
| 353 | T | 77.3 | Confident | 80.7 | Confident | 142 Ų | 142 | 80.6 Ų | 80.6 | 87% | 0.871 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -96.7 | -7.6 | -178.7 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | I351 | I351-T353 PolarHBondContact O-N 3.46Š|
| 354 | A | 71.3 | Confident | 80.9 | Confident | 85 Ų | 85 | 83.5 Ų | 83.5 | 70% | 0.702 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -92.8 | -39 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D352 | D352-A354 PolarHBondContact OD1-N 3.02Š|
| 355 | E | 75.4 | Confident | 81 | Confident | 147 Ų | 147 | 82.9 Ų | 82.9 | 69% | 0.687 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -134.8 | 145 | -173.3 | -64.4 | -171.3 | 176.7 | 0 | 0 | 113.3 | S357 | E355-S357 PolarHBondContact O-N 3.23Š|
| 356 | L | 80.1 | Confident | 81.3 | Confident | 92 Ų | 92 | 78 Ų | 78 | 48% | 0.482 | 44% | 0.444 | S | S | . | . | trans | -72.7 | 122.5 | 170 | -70.5 | 167.5 | 0 | 0 | 0 | 109.9 | A360 | L356-A360 HydrophobicContact CD2-CB 3.92Š| ||
| 357 | S | 80.9 | Confident | 81.7 | Confident | 47 Ų | 47 | 80.9 Ų | 80.9 | 33% | 0.329 | 44% | 0.441 | S | S | . | . | trans | -130.5 | 154.3 | -178.8 | 56.4 | 0 | 0 | 0 | 0 | 112.8 | E355 G359 A360 | E355-S357 PolarHBondContact O-N 3.23Å; S357-G359 PolarHBondContact O-N 3.36Å; S357-A360 PolarHBondContact O-N 3.18Å | ||
| 358 | G | 87.1 | Confident | 82.2 | Confident | 1 Ų | 1 | 83.3 Ų | 83.3 | 1% | 0.01 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | -120.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113 | A360 R361 I362 E434 | G358-A360 VanDerWaalsContact C-N 3.32Å; G358-A360 PolarHBondContact O-N 3.03Å; G358-R361 PolarHBondContact O-N 2.91Å; G358-I362 WeakPolarHBondContact O-CG1 3.38Å; G358-I362 PolarHBondContact O-N 2.95Å; G358-E434 PolarHBondContact N-OE1 3.19Å |
| 359 | G | 90.5 | Very high | 83.3 | Confident | 15 Ų | 15 | 87.4 Ų | 87.4 | 16% | 0.155 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -56.6 | -39.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | C343 I344 S357 R361 I362 N363 | C343-G359 PolarHBondContact O-N 3.36Å; I344-G359 WeakPolarHBondContact O-CA 3.35Å; S357-G359 PolarHBondContact O-N 3.36Å; G359-R361 VanDerWaalsContact C-N 3.32Å; G359-R361 PolarHBondContact O-N 2.94Å; G359-I362 PolarHBondContact O-N 2.86Å; G359-N363 WeakPolarHBondContact O-CB 3.32Å; G359-N363 PolarHBondContact O-N 3.32Å |
| 360 | A | 90.1 | Very high | 84.6 | Confident | 51 Ų | 51 | 80.9 Ų | 80.9 | 42% | 0.421 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.8 | -36.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L356 S357 G358 N363 R364 | L356-A360 HydrophobicContact CD2-CB 3.92Å; S357-A360 PolarHBondContact O-N 3.18Å; G358-A360 VanDerWaalsContact C-N 3.32Å; G358-A360 PolarHBondContact O-N 3.03Å; A360-N363 WeakPolarHBondContact O-CB 3.4Å; A360-N363 PolarHBondContact O-N 3.24Å; A360-R364 PolarHBondContact O-N 2.94Å; A360-R364 VanDerWaalsContact O-N 3.08Å |
| 361 | R | 92.2 | Very high | 86 | Confident | 120 Ų | 120 | 73.2 Ų | 73.2 | 45% | 0.453 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -73.3 | -37.6 | 177 | -172.2 | 156.5 | 175.9 | -177.3 | 4.7 | 112.1 | G358 G359 N363 R364 I365 E434 | G358-R361 PolarHBondContact O-N 2.91Å; G359-R361 VanDerWaalsContact C-N 3.32Å; G359-R361 PolarHBondContact O-N 2.94Å; R361-N363 VanDerWaalsContact C-N 3.34Å; R361-R364 WeakPolarHBondContact O-CB 3.49Å; R361-R364 PolarHBondContact O-N 3.48Å; R361-I365 WeakPolarHBondContact O-CG1 3.49Å; R361-I365 PolarHBondContact O-N 3.46Å; R361-E434 HydrophobicContact CB-CG 4.09Å; R361-E434 WeakPolarHBondContact CD-OE2 3.29Å; R361-E434 HydrophobicContact CG-CG 4.17Å; R361-E434 IonicContact CZ-OE2 3.17Å; R361-E434 IonicContact NE-OE2 2.71Å; R361-E434 PolarHBondContact NE-OE2 2.67Å; R361-E434 IonicContact NH1-OE2 2.8Å |
| 362 | I | 94.8 | Very high | 86.8 | Confident | 6 Ų | 6 | 71.6 Ų | 71.6 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 170.7 | -66.6 | 172.2 | 0 | 0 | 0 | 110.8 | I344 G358 G359 R364 I365 F366 V431 E434 L435 I691 | I344-I362 HydrophobicContact CD1-CD1 4.01Å; G358-I362 WeakPolarHBondContact O-CG1 3.38Å; G358-I362 PolarHBondContact O-N 2.95Å; G359-I362 PolarHBondContact O-N 2.86Å; I362-R364 VanDerWaalsContact C-N 3.34Å; I362-R364 PolarHBondContact O-N 3.25Å; I362-I365 WeakPolarHBondContact O-CB 3.33Å; I362-I365 PolarHBondContact O-N 2.9Å; I362-I365 VanDerWaalsContact O-N 3.11Å; I362-F366 HydrophobicContact CG2-CD2 3.89Å; I362-F366 HydrophobicContact CG2-CE2 3.42Å; I362-F366 VanDerWaalsContact CG2-CE2 3.42Å; I362-F366 HydrophobicContact CG2-CZ 3.89Å; I362-F366 PolarHBondContact O-N 3.3Å; I362-V431 HydrophobicContact CD1-CG1 4.48Å; I362-V431 HydrophobicContact CG1-CG1 4.49Å; I362-V431 HydrophobicContact CG2-CG1 4.48Å; I362-V431 HydrophobicContact CG2-CG2 4.46Å; I362-E434 HydrophobicContact CD1-CG 4.44Å; I362-E434 HydrophobicContact CG1-CB 4.16Å; I362-E434 HydrophobicContact CG1-CG 3.86Å; I362-L435 HydrophobicContact CD1-CD2 3.92Å; I362-L435 HydrophobicContact CD1-CG 4.35Å; I362-I691 HydrophobicContact CD1-CD1 4.13Å; I362-I691 HydrophobicContact CG2-CD1 3.86Å |
| 363 | N | 93.8 | Very high | 87.7 | Confident | 93 Ų | 93 | 67.9 Ų | 67.9 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.6 | -47.1 | 175.6 | -173 | -39.1 | 0 | 0 | 0 | 111.2 | G359 A360 R361 I365 F366 H367 | G359-N363 WeakPolarHBondContact O-CB 3.32Å; G359-N363 PolarHBondContact O-N 3.32Å; A360-N363 WeakPolarHBondContact O-CB 3.4Å; A360-N363 PolarHBondContact O-N 3.24Å; R361-N363 VanDerWaalsContact C-N 3.34Å; N363-I365 VanDerWaalsContact C-N 3.32Å; N363-I365 PolarHBondContact O-N 2.89Å; N363-F366 PolarHBondContact O-N 3.41Å; N363-H367 PolarHBondContact O-CD2 3.01Å; N363-H367 PolarHBondContact O-N 3.25Å; N363-H367 PolarHBondContact OD1-CD2 3.28Å; N363-H367 VanDerWaalsContact OD1-CD2 3.24Å |
| 364 | R | 93.3 | Very high | 88.1 | Confident | 109 Ų | 109 | 61.6 Ų | 61.6 | 41% | 0.411 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.1 | -39.9 | 174.1 | -171.1 | 174.1 | -174.3 | -168.7 | -0.7 | 112.8 | A360 R361 I362 E368 R369 | A360-R364 PolarHBondContact O-N 2.94Å; A360-R364 VanDerWaalsContact O-N 3.08Å; R361-R364 WeakPolarHBondContact O-CB 3.49Å; R361-R364 PolarHBondContact O-N 3.48Å; I362-R364 VanDerWaalsContact C-N 3.34Å; I362-R364 PolarHBondContact O-N 3.25Å; R364-E368 HydrophobicContact CG-CB 4.12Å; R364-E368 HydrophobicContact CG-CG 4.26Å; R364-E368 WeakPolarHBondContact CG-OE2 3.46Å; R364-E368 IonicContact CZ-OE2 2.78Å; R364-E368 IonicContact NE-OE2 2.68Å; R364-E368 PolarHBondContact NE-OE2 3.21Å; R364-E368 WeakPolarHBondContact O-CA 3.45Å; R364-E368 WeakPolarHBondContact O-CB 3.13Å; R364-E368 PolarHBondContact O-N 3.42Å; R364-R369 PolarHBondContact O-N 3.22Å |
| 365 | I | 94.9 | Very high | 88.6 | Confident | 15 Ų | 15 | 60.8 Ų | 60.8 | 8% | 0.077 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -59.9 | -48.8 | 175.9 | -70.2 | 161.2 | 0 | 0 | 0 | 110.4 | R361 I362 N363 F370 M430 V431 | R361-I365 WeakPolarHBondContact O-CG1 3.49Å; R361-I365 PolarHBondContact O-N 3.46Å; I362-I365 WeakPolarHBondContact O-CB 3.33Å; I362-I365 PolarHBondContact O-N 2.9Å; I362-I365 VanDerWaalsContact O-N 3.11Å; N363-I365 VanDerWaalsContact C-N 3.32Å; N363-I365 PolarHBondContact O-N 2.89Å; I365-F370 VanDerWaalsContact O-CB 3.26Å; I365-F370 WeakPolarHBondContact O-CB 3.36Å; I365-F370 PolarHBondContact O-N 2.85Å; I365-M430 HydrophobicContact CD1-CB 3.9Å; I365-M430 HydrophobicContact CG1-CB 4.24Å; I365-M430 HydrophobicContact CG2-CB 4.05Å; I365-M430 HydrophobicContact CG2-CE 4.11Å; I365-V431 HydrophobicContact CD1-CG2 4.47Å; I365-V431 HydrophobicContact CG2-CG2 3.9Å |
| 366 | F | 95.3 | Very high | 88.5 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 4% | 0.039 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -69.1 | -39.7 | -177.6 | -68.8 | -31.3 | 0 | 0 | 0 | 114.1 | I362 N363 P371 V431 P683 V686 M687 I691 | I362-F366 HydrophobicContact CG2-CD2 3.89Å; I362-F366 HydrophobicContact CG2-CE2 3.42Å; I362-F366 VanDerWaalsContact CG2-CE2 3.42Å; I362-F366 HydrophobicContact CG2-CZ 3.89Å; I362-F366 PolarHBondContact O-N 3.3Å; N363-F366 PolarHBondContact O-N 3.41Å; F366-P371 VanDerWaalsContact O-CD 3.29Å; F366-P371 WeakPolarHBondContact O-CD 3.48Å; F366-V431 HydrophobicContact CD1-CG2 4.37Å; F366-V431 HydrophobicContact CE1-CG2 3.61Å; F366-V431 HydrophobicContact CZ-CG2 3.92Å; F366-P683 HydrophobicContact CB-CB 4.07Å; F366-P683 HydrophobicContact CB-CG 4.03Å; F366-P683 HydrophobicContact CD1-CB 3.8Å; F366-P683 HydrophobicContact CD1-CG 3.97Å; F366-P683 HydrophobicContact CD2-CB 4.01Å; F366-P683 HydrophobicContact CE1-CB 4.18Å; F366-P683 HydrophobicContact CE2-CB 4.38Å; F366-P683 HydrophobicContact CG-CB 3.71Å; F366-P683 HydrophobicContact CG-CG 4.06Å; F366-P683 HydrophobicContact CZ-CB 4.46Å; F366-V686 HydrophobicContact CE1-CB 4.03Å; F366-V686 HydrophobicContact CE1-CG1 4.09Å; F366-V686 HydrophobicContact CE1-CG2 4.48Å; F366-V686 HydrophobicContact CZ-CB 3.91Å; F366-V686 HydrophobicContact CZ-CG1 3.82Å; F366-M687 HydrophobicContact CE2-CG 3.81Å; F366-M687 HydrophobicContact CE2-SD 3.83Å; F366-M687 HydrophobicContact CZ-CG 4.3Å; F366-I691 HydrophobicContact CE2-CD1 4.37Å; F366-I691 HydrophobicContact CZ-CD1 4.29Å |
| 367 | H | 90.8 | Very high | 87.9 | Confident | 124 Ų | 124 | 58.9 Ų | 58.9 | 57% | 0.574 | 29% | 0.286 | S | S | * | . | I | π-helix | trans | -106 | -18.4 | -167.4 | -65.6 | -64.9 | 0 | 0 | 0 | 114.8 | N363 | N363-H367 PolarHBondContact O-CD2 3.01Å; N363-H367 PolarHBondContact O-N 3.25Å; N363-H367 PolarHBondContact OD1-CD2 3.28Å; N363-H367 VanDerWaalsContact OD1-CD2 3.24Å |
| 368 | E | 89.3 | Confident | 86.9 | Confident | 115 Ų | 115 | 61.7 Ų | 61.7 | 54% | 0.537 | 29% | 0.294 | S | S | . | . | I | π-helix | trans | -113.9 | -55.8 | 176.3 | -61.9 | 176.4 | -156.3 | 0 | 0 | 111.2 | R364 F372 | R364-E368 HydrophobicContact CG-CB 4.12Å; R364-E368 HydrophobicContact CG-CG 4.26Å; R364-E368 WeakPolarHBondContact CG-OE2 3.46Å; R364-E368 IonicContact CZ-OE2 2.78Å; R364-E368 IonicContact NE-OE2 2.68Å; R364-E368 PolarHBondContact NE-OE2 3.21Å; R364-E368 WeakPolarHBondContact O-CA 3.45Å; R364-E368 WeakPolarHBondContact O-CB 3.13Å; R364-E368 PolarHBondContact O-N 3.42Å; E368-F372 WeakPolarHBondContact O-CB 3.26Å; E368-F372 PolarHBondContact O-N 3.33Å |
| 369 | R | 89.6 | Confident | 85.8 | Confident | 111 Ų | 111 | 63.9 Ų | 63.9 | 42% | 0.419 | 30% | 0.303 | S | S | . | . | I | π-helix | trans | -73.4 | -46.2 | -170 | -173.7 | 60.2 | -176.8 | -141.5 | 3.2 | 113 | R364 F372 E373 M430 | R364-R369 PolarHBondContact O-N 3.22Å; R369-F372 WeakPolarHBondContact O-CB 3.33Å; R369-F372 PolarHBondContact O-N 3.38Å; R369-E373 IonicContact CZ-OE1 3.9Å; R369-E373 VanDerWaalsContact CZ-OE1 3.31Å; R369-E373 IonicContact NE-OE1 2.94Å; R369-E373 PolarHBondContact NE-OE1 2.91Å; R369-E373 IonicContact NH2-OE1 3.9Å; R369-E373 PolarHBondContact NH2-OE1 3Å; R369-E373 WeakPolarHBondContact O-CG 3.3Å; R369-E373 PolarHBondContact O-N 3.27Å; R369-M430 HydrophobicContact CG-CE 3.83Å; R369-M430 HydrophobicContact CG-SD 3.82Å |
| 370 | F | 93.6 | Very high | 84.9 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 0% | 0.004 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.4 | -47.2 | -178.1 | 173.7 | -123 | 0 | 0 | 0 | 112.6 | I365 F372 E373 L374 P423 C424 C427 V678 I682 | I365-F370 VanDerWaalsContact O-CB 3.26Å; I365-F370 WeakPolarHBondContact O-CB 3.36Å; I365-F370 PolarHBondContact O-N 2.85Å; F370-F372 VanDerWaalsContact C-N 3.26Å; F370-F372 PolarHBondContact O-N 3.44Å; F370-E373 PolarHBondContact O-N 3.04Å; F370-E373 VanDerWaalsContact O-N 3.16Å; F370-L374 HydrophobicContact CD1-CD1 4.41Å; F370-L374 HydrophobicContact CD2-CG 4.38Å; F370-L374 HydrophobicContact CE1-CD1 3.94Å; F370-L374 HydrophobicContact CE2-CD1 4.1Å; F370-L374 HydrophobicContact CE2-CD2 4.06Å; F370-L374 HydrophobicContact CE2-CG 4Å; F370-L374 HydrophobicContact CZ-CD1 3.78Å; F370-L374 HydrophobicContact CZ-CD2 4.26Å; F370-L374 HydrophobicContact CZ-CG 4.19Å; F370-L374 WeakPolarHBondContact O-CG 3.47Å; F370-L374 PolarHBondContact O-N 3.28Å; F370-L374 VanDerWaalsContact O-N 3.08Å; F370-P423 HydrophobicContact CE2-CB 4.37Å; F370-C424 HydrophobicContact CE2-CB 4.46Å; F370-C427 HydrophobicContact CB-CB 4.32Å; F370-C427 HydrophobicContact CD2-CB 3.56Å; F370-C427 HydrophobicContact CE2-CB 4.03Å; F370-C427 HydrophobicContact CG-CB 4.04Å; F370-V678 HydrophobicContact CE1-CG1 4.31Å; F370-V678 HydrophobicContact CZ-CG1 3.78Å; F370-I682 HydrophobicContact CE1-CB 3.85Å; F370-I682 HydrophobicContact CE1-CG1 4.3Å; F370-I682 HydrophobicContact CE1-CG2 4.08Å; F370-I682 HydrophobicContact CZ-CB 3.9Å; F370-I682 HydrophobicContact CZ-CG1 3.97Å; F370-I682 HydrophobicContact CZ-CG2 3.92Å |
| 371 | P | 90.6 | Very high | 84.3 | Confident | 26 Ų | 26 | 68.1 Ų | 68.1 | 17% | 0.169 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.5 | -38.2 | 171.8 | -28 | 37.3 | 0 | 0 | 0 | 113.1 | F366 L374 V375 R679 | F366-P371 VanDerWaalsContact O-CD 3.29Å; F366-P371 WeakPolarHBondContact O-CD 3.48Å; P371-L374 PolarHBondContact O-N 2.59Å; P371-V375 WeakPolarHBondContact O-CG2 3.45Å; P371-V375 PolarHBondContact O-N 3.07Å; P371-R679 HydrophobicContact CG-CG 4.4Å |
| 372 | F | 85.8 | Confident | 83.8 | Confident | 104 Ų | 104 | 69.2 Ų | 69.2 | 46% | 0.456 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 175 | 172.3 | -97.9 | 0 | 0 | 0 | 112.6 | E368 R369 F370 L374 V375 K376 | E368-F372 WeakPolarHBondContact O-CB 3.26Å; E368-F372 PolarHBondContact O-N 3.33Å; R369-F372 WeakPolarHBondContact O-CB 3.33Å; R369-F372 PolarHBondContact O-N 3.38Å; F370-F372 VanDerWaalsContact C-N 3.26Å; F370-F372 PolarHBondContact O-N 3.44Å; F372-L374 VanDerWaalsContact C-N 3.27Å; F372-L374 PolarHBondContact O-N 3.14Å; F372-V375 PolarHBondContact O-N 2.83Å; F372-K376 HydrophobicContact CE1-CD 4.13Å; F372-K376 HydrophobicContact CZ-CD 4.35Å; F372-K376 VanDerWaalsContact O-CB 3.27Å; F372-K376 WeakPolarHBondContact O-CB 3.36Å; F372-K376 PolarHBondContact O-N 2.93Å |
| 373 | E | 85.1 | Confident | 83.3 | Confident | 13 Ų | 13 | 73.9 Ų | 73.9 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.8 | -32.4 | 177.2 | -65.6 | -77.5 | 175.4 | 0 | 0 | 111.9 | R369 F370 P423 K426 | R369-E373 IonicContact CZ-OE1 3.9Å; R369-E373 VanDerWaalsContact CZ-OE1 3.31Å; R369-E373 IonicContact NE-OE1 2.94Å; R369-E373 PolarHBondContact NE-OE1 2.91Å; R369-E373 IonicContact NH2-OE1 3.9Å; R369-E373 PolarHBondContact NH2-OE1 3Å; R369-E373 WeakPolarHBondContact O-CG 3.3Å; R369-E373 PolarHBondContact O-N 3.27Å; F370-E373 PolarHBondContact O-N 3.04Å; F370-E373 VanDerWaalsContact O-N 3.16Å; E373-P423 HydrophobicContact CB-CB 4.11Å; E373-K426 IonicContact OE1-NZ 3.96Å; E373-K426 PolarHBondContact OE1-NZ 3.42Å; E373-K426 IonicContact OE2-NZ 2.77Å; E373-K426 PolarHBondContact OE2-NZ 3.43Å |
| 374 | L | 86.1 | Confident | 83 | Confident | 9 Ų | 9 | 69.8 Ų | 69.8 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.6 | -44.1 | 173.5 | -66.9 | 173.9 | 0 | 0 | 0 | 112.3 | F370 P371 F372 M377 I420 P423 V678 R679 | F370-L374 HydrophobicContact CD1-CD1 4.41Å; F370-L374 HydrophobicContact CD2-CG 4.38Å; F370-L374 HydrophobicContact CE1-CD1 3.94Å; F370-L374 HydrophobicContact CE2-CD1 4.1Å; F370-L374 HydrophobicContact CE2-CD2 4.06Å; F370-L374 HydrophobicContact CE2-CG 4Å; F370-L374 HydrophobicContact CZ-CD1 3.78Å; F370-L374 HydrophobicContact CZ-CD2 4.26Å; F370-L374 HydrophobicContact CZ-CG 4.19Å; F370-L374 WeakPolarHBondContact O-CG 3.47Å; F370-L374 PolarHBondContact O-N 3.28Å; F370-L374 VanDerWaalsContact O-N 3.08Å; P371-L374 PolarHBondContact O-N 2.59Å; F372-L374 VanDerWaalsContact C-N 3.27Å; F372-L374 PolarHBondContact O-N 3.14Å; L374-M377 HydrophobicContact CD2-CE 4.33Å; L374-M377 PolarHBondContact O-N 3.41Å; L374-I420 HydrophobicContact CD2-CG2 3.89Å; L374-P423 HydrophobicContact CD2-CB 3.95Å; L374-P423 HydrophobicContact CD2-CG 4.37Å; L374-V678 HydrophobicContact CD1-CG1 4.25Å; L374-V678 HydrophobicContact CD2-CG1 4.48Å; L374-R679 HydrophobicContact CD1-CG 3.52Å |
| 375 | V | 81.1 | Confident | 82.8 | Confident | 69 Ų | 69 | 68 Ų | 68 | 42% | 0.418 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.3 | -33.7 | 179.7 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | P371 F372 M377 E378 | P371-V375 WeakPolarHBondContact O-CG2 3.45Å; P371-V375 PolarHBondContact O-N 3.07Å; F372-V375 PolarHBondContact O-N 2.83Å; V375-M377 PolarHBondContact O-N 3.1Å; V375-M377 VanDerWaalsContact O-N 3.1Å; V375-E378 HydrophobicContact CG1-CG 4.47Å; V375-E378 WeakPolarHBondContact O-CB 3.36Å; V375-E378 WeakPolarHBondContact O-CG 3.23Å; V375-E378 PolarHBondContact O-N 3.3Å |
| 376 | K | 73.4 | Confident | 82.5 | Confident | 143 Ų | 143 | 73.2 Ų | 73.2 | 62% | 0.622 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.9 | -24.3 | 176.5 | -176.1 | -178.8 | 174.9 | -170.9 | 0 | 112.5 | F372 E378 | F372-K376 HydrophobicContact CE1-CD 4.13Å; F372-K376 HydrophobicContact CZ-CD 4.35Å; F372-K376 VanDerWaalsContact O-CB 3.27Å; F372-K376 WeakPolarHBondContact O-CB 3.36Å; F372-K376 PolarHBondContact O-N 2.93Å; K376-E378 PolarHBondContact O-N 2.98Å |
| 377 | M | 66.9 | Low | 82.3 | Confident | 55 Ų | 55 | 74.3 Ų | 74.3 | 27% | 0.271 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1.4 | 173.5 | -64.7 | -166 | -53.7 | 0 | 0 | 114.1 | L374 V375 F379 K419 I420 P423 | L374-M377 HydrophobicContact CD2-CE 4.33Å; L374-M377 PolarHBondContact O-N 3.41Å; V375-M377 PolarHBondContact O-N 3.1Å; V375-M377 VanDerWaalsContact O-N 3.1Å; M377-F379 PolarHBondContact O-N 3.15Å; M377-K419 HydrophobicContact SD-CB 4.29Å; M377-K419 VanDerWaalsContact SD-O 3.35Å; M377-I420 HydrophobicContact CE-CG1 4.28Å; M377-P423 HydrophobicContact CE-CG 3.52Å; M377-P423 HydrophobicContact CG-CG 4.18Å; M377-P423 HydrophobicContact SD-CG 3.32Å; M377-P423 WeakPolarHBondContact SD-CG 3.36Å |
| 378 | E | 60.3 | Low | 82.3 | Confident | 106 Ų | 106 | 68.4 Ų | 68.4 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | trans | -59.8 | 139 | -177.7 | -82.8 | -175.6 | 173.1 | 0 | 0 | 112.6 | V375 K376 | V375-E378 HydrophobicContact CG1-CG 4.47Å; V375-E378 WeakPolarHBondContact O-CB 3.36Å; V375-E378 WeakPolarHBondContact O-CG 3.23Å; V375-E378 PolarHBondContact O-N 3.3Å; K376-E378 PolarHBondContact O-N 2.98Å | ||
| 379 | F | 64 | Low | 82.3 | Confident | 47 Ų | 47 | 63.2 Ų | 63.2 | 21% | 0.206 | 29% | 0.29 | C | S | . | . | trans | -70.5 | 155.6 | -153.8 | -48.6 | -69.4 | 0 | 0 | 0 | 113.2 | M377 E381 L384 Q416 R629 | M377-F379 PolarHBondContact O-N 3.15Å; F379-E381 PolarHBondContact O-N 3.15Å; F379-L384 HydrophobicContact CB-CB 4.38Å; F379-L384 HydrophobicContact CD2-CD2 4.34Å; F379-Q416 HydrophobicContact CD1-CG 4.45Å; F379-Q416 HydrophobicContact CE1-CB 4.09Å; F379-Q416 HydrophobicContact CE1-CG 3.69Å; F379-Q416 HydrophobicContact CE2-CG 4.32Å; F379-Q416 HydrophobicContact CZ-CB 3.79Å; F379-Q416 HydrophobicContact CZ-CG 3.59Å; F379-R629 PolarHBondContact O-NH2 2.82Å | ||
| 380 | D | 71.4 | Confident | 82.3 | Confident | 66 Ų | 66 | 63.3 Ų | 63.3 | 35% | 0.353 | 29% | 0.291 | S | S | . | . | trans | -67.5 | 103.3 | 153.9 | -177.3 | 15.7 | 0 | 0 | 0 | 108.2 | K382 E383 L384 R629 | D380-K382 PolarHBondContact O-N 3.26Å; D380-K382 PolarHBondContact OD1-N 2.95Å; D380-E383 HydrophobicContact CB-CB 3.75Å; D380-E383 CarbonylContact O-C 3.54Å; D380-E383 WeakPolarHBondContact O-CA 3.32Å; D380-E383 WeakPolarHBondContact O-CB 3.37Å; D380-E383 PolarHBondContact O-N 2.93Å; D380-L384 PolarHBondContact O-N 2.94Å; D380-R629 IonicContact OD1-NH1 2.77Å; D380-R629 PolarHBondContact OD1-NH1 3.43Å | ||
| 381 | E | 78.7 | Confident | 82.2 | Confident | 89 Ų | 89 | 63.9 Ų | 63.9 | 42% | 0.416 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -48.5 | -30 | 176.5 | -95.7 | -128.5 | 143.5 | 0 | 0 | 113.2 | F379 R385 R664 | F379-E381 PolarHBondContact O-N 3.15Å; E381-R385 WeakPolarHBondContact O-CG 3.37Å; E381-R385 PolarHBondContact O-N 3.13Å; E381-R385 PolarHBondContact O-NH1 3.16Å; E381-R385 IonicContact OE1-NH1 2.75Å; E381-R385 IonicContact OE1-NH2 3.1Å; E381-R385 PolarHBondContact OE1-NH2 2.95Å; E381-R385 IonicContact OE2-CZ 3.04Å; E381-R385 IonicContact OE2-NH1 3.68Å; E381-R385 PolarHBondContact OE2-NH1 3.09Å; E381-R385 IonicContact OE2-NH2 3.99Å; E381-R385 PolarHBondContact OE2-NH2 3.37Å; E381-R385 VanDerWaalsContact OE2-NH2 3.1Å; E381-R664 IonicContact OE1-CZ 3.17Å; E381-R664 IonicContact OE1-NH1 3.72Å; E381-R664 PolarHBondContact OE1-NH1 3.43Å |
| 382 | K | 80.8 | Confident | 82 | Confident | 143 Ų | 143 | 62.7 Ų | 62.7 | 62% | 0.622 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -75.9 | -42.7 | 176.3 | -166.9 | 176.8 | -178.1 | 179.3 | 0 | 111.4 | D380 K386 | D380-K382 PolarHBondContact O-N 3.26Å; D380-K382 PolarHBondContact OD1-N 2.95Å; K382-K386 WeakPolarHBondContact O-CB 3.31Å; K382-K386 PolarHBondContact O-N 3.43Å; K382-K386 VanDerWaalsContact O-N 3.08Å |
| 383 | E | 85.3 | Confident | 82.1 | Confident | 105 Ų | 105 | 61.6 Ų | 61.6 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 175.9 | -167.1 | 179.2 | -162.2 | 0 | 0 | 111.8 | D380 R385 K386 E387 | D380-E383 HydrophobicContact CB-CB 3.75Å; D380-E383 CarbonylContact O-C 3.54Å; D380-E383 WeakPolarHBondContact O-CA 3.32Å; D380-E383 WeakPolarHBondContact O-CB 3.37Å; D380-E383 PolarHBondContact O-N 2.93Å; E383-R385 PolarHBondContact O-N 2.97Å; E383-K386 CarbonylContact O-C 3.55Å; E383-K386 WeakPolarHBondContact O-CA 3.35Å; E383-K386 WeakPolarHBondContact O-CB 3.41Å; E383-K386 PolarHBondContact O-N 3.42Å; E383-K386 VanDerWaalsContact O-N 3.09Å; E383-E387 WeakPolarHBondContact O-CG 3.47Å; E383-E387 PolarHBondContact O-N 3.45Å |
| 384 | L | 86.9 | Confident | 82.1 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 177.5 | -179.4 | 62.4 | 0 | 0 | 0 | 111.6 | F379 D380 K386 E387 I388 I412 R664 | F379-L384 HydrophobicContact CB-CB 4.38Å; F379-L384 HydrophobicContact CD2-CD2 4.34Å; D380-L384 PolarHBondContact O-N 2.94Å; L384-K386 VanDerWaalsContact C-N 3.3Å; L384-K386 PolarHBondContact O-N 3.18Å; L384-E387 PolarHBondContact O-N 2.97Å; L384-I388 HydrophobicContact CD1-CD1 4.16Å; L384-I388 HydrophobicContact CD1-CG1 4.37Å; L384-I388 HydrophobicContact CG-CD1 3.9Å; L384-I388 WeakPolarHBondContact O-CB 3.1Å; L384-I388 WeakPolarHBondContact O-CG1 3.43Å; L384-I388 PolarHBondContact O-N 3.39Å; L384-I412 HydrophobicContact CD1-CG2 3.66Å; L384-R664 HydrophobicContact CD2-CG 4.44Å |
| 385 | R | 88.8 | Confident | 82.2 | Confident | 70 Ų | 70 | 69.8 Ų | 69.8 | 26% | 0.264 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 175.8 | -73.9 | -175.9 | -176.5 | 89.8 | -4.8 | 111.9 | E381 E383 S389 V660 E661 R664 | E381-R385 WeakPolarHBondContact O-CG 3.37Å; E381-R385 PolarHBondContact O-N 3.13Å; E381-R385 PolarHBondContact O-NH1 3.16Å; E381-R385 IonicContact OE1-NH1 2.75Å; E381-R385 IonicContact OE1-NH2 3.1Å; E381-R385 PolarHBondContact OE1-NH2 2.95Å; E381-R385 IonicContact OE2-CZ 3.04Å; E381-R385 IonicContact OE2-NH1 3.68Å; E381-R385 PolarHBondContact OE2-NH1 3.09Å; E381-R385 IonicContact OE2-NH2 3.99Å; E381-R385 PolarHBondContact OE2-NH2 3.37Å; E381-R385 VanDerWaalsContact OE2-NH2 3.1Å; E383-R385 PolarHBondContact O-N 2.97Å; R385-S389 WeakPolarHBondContact O-CB 3.5Å; R385-S389 PolarHBondContact O-N 3.44Å; R385-V660 HydrophobicContact CB-CG1 3.96Å; R385-V660 HydrophobicContact CG-CG1 3.99Å; R385-E661 IonicContact CZ-OE2 3.4Å; R385-E661 IonicContact NE-OE2 3.76Å; R385-E661 PolarHBondContact NE-OE2 3.29Å; R385-E661 IonicContact NH2-OE2 3.47Å; R385-R664 VanDerWaalsContact NH2-CD 3.34Å |
| 386 | K | 89.8 | Confident | 82.3 | Confident | 125 Ų | 125 | 68.6 Ų | 68.6 | 54% | 0.543 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 173.9 | -178.9 | 178.1 | 175.4 | -179.1 | 0 | 111.4 | K382 E383 L384 S389 Y390 | K382-K386 WeakPolarHBondContact O-CB 3.31Å; K382-K386 PolarHBondContact O-N 3.43Å; K382-K386 VanDerWaalsContact O-N 3.08Å; E383-K386 CarbonylContact O-C 3.55Å; E383-K386 WeakPolarHBondContact O-CA 3.35Å; E383-K386 WeakPolarHBondContact O-CB 3.41Å; E383-K386 PolarHBondContact O-N 3.42Å; E383-K386 VanDerWaalsContact O-N 3.09Å; L384-K386 VanDerWaalsContact C-N 3.3Å; L384-K386 PolarHBondContact O-N 3.18Å; K386-S389 WeakPolarHBondContact O-CB 3.48Å; K386-S389 PolarHBondContact O-N 3.45Å; K386-Y390 HydrophobicContact CD-CE2 4.17Å; K386-Y390 HydrophobicContact CG-CD2 3.9Å; K386-Y390 HydrophobicContact CG-CE2 3.55Å; K386-Y390 VanDerWaalsContact O-CD2 3.22Å; K386-Y390 WeakPolarHBondContact O-CD2 3.31Å; K386-Y390 PolarHBondContact O-N 2.9Å |
| 387 | E | 89.9 | Confident | 82.7 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 15% | 0.154 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 176.4 | -73.6 | -171.8 | -163.9 | 0 | 0 | 112 | E383 L384 S389 Y390 A391 I412 R415 | E383-E387 WeakPolarHBondContact O-CG 3.47Å; E383-E387 PolarHBondContact O-N 3.45Å; L384-E387 PolarHBondContact O-N 2.97Å; E387-S389 VanDerWaalsContact C-N 3.33Å; E387-S389 PolarHBondContact O-N 2.98Å; E387-Y390 PolarHBondContact O-N 2.8Å; E387-A391 WeakPolarHBondContact O-CB 3.42Å; E387-A391 PolarHBondContact O-N 2.9Å; E387-I412 HydrophobicContact CB-CD1 3.81Å; E387-R415 VanDerWaalsContact CD-NH1 3.3Å; E387-R415 IonicContact OE1-NH1 3.91Å; E387-R415 WeakPolarHBondContact OE2-CD 3.31Å; E387-R415 IonicContact OE2-CZ 3.79Å; E387-R415 IonicContact OE2-NH1 2.78Å; E387-R415 PolarHBondContact OE2-NH1 3.14Å |
| 388 | I | 91.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 176.4 | -67.4 | 164.5 | 0 | 0 | 0 | 110.1 | L384 Y390 A391 I392 I412 V660 I663 R664 | L384-I388 HydrophobicContact CD1-CD1 4.16Å; L384-I388 HydrophobicContact CD1-CG1 4.37Å; L384-I388 HydrophobicContact CG-CD1 3.9Å; L384-I388 WeakPolarHBondContact O-CB 3.1Å; L384-I388 WeakPolarHBondContact O-CG1 3.43Å; L384-I388 PolarHBondContact O-N 3.39Å; I388-Y390 PolarHBondContact O-N 2.77Å; I388-A391 PolarHBondContact O-N 3.43Å; I388-I392 HydrophobicContact CG2-CD1 3.76Å; I388-I392 HydrophobicContact CG2-CG1 4.31Å; I388-I392 VanDerWaalsContact O-CG1 3.26Å; I388-I392 WeakPolarHBondContact O-CG1 3.24Å; I388-I392 PolarHBondContact O-N 3.35Å; I388-I412 HydrophobicContact CG1-CD1 4.28Å; I388-I412 HydrophobicContact CG1-CG1 3.99Å; I388-I412 HydrophobicContact CG1-CG2 4.28Å; I388-V660 HydrophobicContact CB-CG1 4.26Å; I388-V660 HydrophobicContact CG2-CB 4.18Å; I388-V660 HydrophobicContact CG2-CG1 4.07Å; I388-V660 HydrophobicContact CG2-CG2 4.1Å; I388-I663 HydrophobicContact CD1-CG2 4.15Å; I388-I663 HydrophobicContact CG1-CG2 4.08Å; I388-I663 HydrophobicContact CG2-CB 3.79Å; I388-I663 HydrophobicContact CG2-CD1 4.21Å; I388-I663 HydrophobicContact CG2-CG2 3.79Å; I388-R664 HydrophobicContact CD1-CB 4.07Å |
| 389 | S | 89.3 | Confident | 84 | Confident | 5 Ų | 5 | 74.8 Ų | 74.8 | 4% | 0.035 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 177.8 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | R385 K386 E387 K393 M652 | R385-S389 WeakPolarHBondContact O-CB 3.5Å; R385-S389 PolarHBondContact O-N 3.44Å; K386-S389 WeakPolarHBondContact O-CB 3.48Å; K386-S389 PolarHBondContact O-N 3.45Å; E387-S389 VanDerWaalsContact C-N 3.33Å; E387-S389 PolarHBondContact O-N 2.98Å; S389-K393 WeakPolarHBondContact O-CG 3.47Å; S389-K393 PolarHBondContact O-N 2.88Å; S389-M652 WeakPolarHBondContact OG-CE 3.4Å |
| 390 | Y | 90.3 | Very high | 84.2 | Confident | 113 Ų | 113 | 79.3 Ų | 79.3 | 44% | 0.443 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 175 | -76.2 | -56.9 | 0 | 0 | 0 | 112.7 | K386 E387 I388 K393 N394 | K386-Y390 HydrophobicContact CD-CE2 4.17Å; K386-Y390 HydrophobicContact CG-CD2 3.9Å; K386-Y390 HydrophobicContact CG-CE2 3.55Å; K386-Y390 VanDerWaalsContact O-CD2 3.22Å; K386-Y390 WeakPolarHBondContact O-CD2 3.31Å; K386-Y390 PolarHBondContact O-N 2.9Å; E387-Y390 PolarHBondContact O-N 2.8Å; I388-Y390 PolarHBondContact O-N 2.77Å; Y390-K393 PolarHBondContact O-N 2.8Å; Y390-N394 VanDerWaalsContact O-CB 3.25Å; Y390-N394 WeakPolarHBondContact O-CB 3.35Å; Y390-N394 PolarHBondContact O-N 3.35Å; Y390-N394 PolarHBondContact O-ND2 3.32Å |
| 391 | A | 90.4 | Very high | 84 | Confident | 13 Ų | 13 | 77.1 Ų | 77.1 | 11% | 0.107 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E387 I388 N394 I395 A408 I412 | E387-A391 WeakPolarHBondContact O-CB 3.42Å; E387-A391 PolarHBondContact O-N 2.9Å; I388-A391 PolarHBondContact O-N 3.43Å; A391-N394 PolarHBondContact O-N 3.05Å; A391-I395 WeakPolarHBondContact O-CB 3.38Å; A391-I395 VanDerWaalsContact O-CD1 3.3Å; A391-I395 WeakPolarHBondContact O-CD1 3.37Å; A391-I395 VanDerWaalsContact O-CG1 3.23Å; A391-I395 WeakPolarHBondContact O-CG1 3.36Å; A391-I395 PolarHBondContact O-N 3.28Å; A391-A408 HydrophobicContact CB-CB 4.07Å; A391-I412 HydrophobicContact CB-CD1 4.36Å; A391-I412 HydrophobicContact CB-CG1 4.42Å |
| 392 | I | 87.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 80 Ų | 80 | 1% | 0.005 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -56.8 | -54.5 | 176.2 | -66.5 | 167.1 | 0 | 0 | 0 | 110.3 | I388 N394 I395 H396 P405 A408 L656 Q659 V660 I663 | I388-I392 HydrophobicContact CG2-CD1 3.76Å; I388-I392 HydrophobicContact CG2-CG1 4.31Å; I388-I392 VanDerWaalsContact O-CG1 3.26Å; I388-I392 WeakPolarHBondContact O-CG1 3.24Å; I388-I392 PolarHBondContact O-N 3.35Å; I392-N394 VanDerWaalsContact C-N 3.35Å; I392-N394 PolarHBondContact O-N 2.6Å; I392-I395 PolarHBondContact O-N 2.97Å; I392-H396 WeakPolarHBondContact CG2-CE1 3.24Å; I392-H396 VanDerWaalsContact CG2-ND1 3.33Å; I392-H396 WeakPolarHBondContact CG2-ND1 3.44Å; I392-H396 PolarHBondContact O-N 3.45Å; I392-H396 PolarHBondContact O-ND1 2.88Å; I392-P405 HydrophobicContact CB-CG 4.45Å; I392-P405 HydrophobicContact CG1-CG 4.26Å; I392-P405 HydrophobicContact CG2-CG 4.21Å; I392-A408 HydrophobicContact CG1-CB 3.99Å; I392-L656 HydrophobicContact CB-CD1 4.14Å; I392-L656 HydrophobicContact CD1-CD1 4.04Å; I392-L656 HydrophobicContact CG2-CD1 3.69Å; I392-Q659 HydrophobicContact CD1-CB 3.92Å; I392-V660 HydrophobicContact CD1-CG2 3.84Å; I392-I663 HydrophobicContact CD1-CD1 3.92Å; I392-I663 HydrophobicContact CG1-CD1 3.84Å |
| 393 | K | 85.9 | Confident | 83.1 | Confident | 81 Ų | 81 | 81.4 Ų | 81.4 | 35% | 0.352 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.4 | -43.8 | -178.9 | -72.1 | 179.3 | -174 | -175.7 | 0 | 112.6 | S389 Y390 H396 G397 L656 | S389-K393 WeakPolarHBondContact O-CG 3.47Å; S389-K393 PolarHBondContact O-N 2.88Å; Y390-K393 PolarHBondContact O-N 2.8Å; K393-H396 PolarHBondContact O-N 3.35Å; K393-G397 PolarHBondContact O-N 3.19Å; K393-L656 HydrophobicContact CG-CD2 4.43Å |
| 394 | N | 86.8 | Confident | 82.5 | Confident | 124 Ų | 124 | 77.8 Ų | 77.8 | 66% | 0.663 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.4 | -35.2 | -179.3 | -72.2 | -16.9 | 0 | 0 | 0 | 112.3 | Y390 A391 I392 G397 | Y390-N394 VanDerWaalsContact O-CB 3.25Å; Y390-N394 WeakPolarHBondContact O-CB 3.35Å; Y390-N394 PolarHBondContact O-N 3.35Å; Y390-N394 PolarHBondContact O-ND2 3.32Å; A391-N394 PolarHBondContact O-N 3.05Å; I392-N394 VanDerWaalsContact C-N 3.35Å; I392-N394 PolarHBondContact O-N 2.6Å; N394-G397 PolarHBondContact O-N 3.46Å |
| 395 | I | 86.7 | Confident | 82.1 | Confident | 71 Ų | 71 | 78 Ų | 78 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71.9 | -40.3 | 177.5 | -71.2 | 160.2 | 0 | 0 | 0 | 111.3 | A391 I392 G397 P405 M407 A408 | A391-I395 WeakPolarHBondContact O-CB 3.38Å; A391-I395 VanDerWaalsContact O-CD1 3.3Å; A391-I395 WeakPolarHBondContact O-CD1 3.37Å; A391-I395 VanDerWaalsContact O-CG1 3.23Å; A391-I395 WeakPolarHBondContact O-CG1 3.36Å; A391-I395 PolarHBondContact O-N 3.28Å; I392-I395 PolarHBondContact O-N 2.97Å; I395-G397 VanDerWaalsContact C-N 3.31Å; I395-P405 HydrophobicContact CB-CB 4.39Å; I395-P405 HydrophobicContact CB-CG 4.48Å; I395-P405 HydrophobicContact CG2-CB 3.66Å; I395-P405 HydrophobicContact CG2-CG 4.23Å; I395-M407 VanDerWaalsContact CD1-C 3.49Å; I395-M407 HydrophobicContact CD1-CB 3.67Å; I395-M407 HydrophobicContact CG1-CB 4.31Å; I395-M407 HydrophobicContact CG2-CB 4.41Å; I395-A408 VanDerWaalsContact CD1-CA 3.44Å; I395-A408 HydrophobicContact CD1-CB 3.63Å |
| 396 | H | 83.1 | Confident | 81.7 | Confident | 43 Ų | 43 | 79.9 Ų | 79.9 | 20% | 0.199 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -69 | -32 | 174.5 | -67.5 | 135.4 | 0 | 0 | 0 | 112.2 | I392 K393 I398 R399 G401 F403 | I392-H396 WeakPolarHBondContact CG2-CE1 3.24Å; I392-H396 VanDerWaalsContact CG2-ND1 3.33Å; I392-H396 WeakPolarHBondContact CG2-ND1 3.44Å; I392-H396 PolarHBondContact O-N 3.45Å; I392-H396 PolarHBondContact O-ND1 2.88Å; K393-H396 PolarHBondContact O-N 3.35Å; H396-I398 PolarHBondContact O-N 3.31Å; H396-R399 PolarHBondContact O-N 3.4Å; H396-R399 VanDerWaalsContact O-N 3.08Å; H396-G401 VanDerWaalsContact CD2-CA 3.41Å; H396-G401 WeakPolarHBondContact CD2-CA 3.21Å; H396-G401 WeakPolarHBondContact NE2-CA 3.12Å; H396-F403 PolarHBondContact NE2-O 2.89Å |
| 397 | G | 82.8 | Confident | 81.5 | Confident | 53 Ų | 53 | 78.5 Ų | 78.5 | 55% | 0.546 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | -126.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K393 N394 I395 R399 | K393-G397 PolarHBondContact O-N 3.19Å; N394-G397 PolarHBondContact O-N 3.46Å; I395-G397 VanDerWaalsContact C-N 3.31Å; G397-R399 PolarHBondContact O-N 2.91Å |
| 398 | I | 79.3 | Confident | 81.4 | Confident | 178 Ų | 178 | 77 Ų | 77 | 91% | 0.913 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -3.5 | 178.9 | 59.8 | 162.6 | 0 | 0 | 0 | 114.1 | H396 | H396-I398 PolarHBondContact O-N 3.31Š|
| 399 | R | 75.8 | Confident | 81.4 | Confident | 204 Ų | 204 | 77.1 Ų | 77.1 | 77% | 0.77 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -103.2 | 147.5 | -175.5 | -61 | 179.8 | -178.1 | 150.4 | 0.2 | 110.9 | H396 G397 | H396-R399 PolarHBondContact O-N 3.4Å; H396-R399 VanDerWaalsContact O-N 3.08Å; G397-R399 PolarHBondContact O-N 2.91Å |
| 400 | T | 67.6 | Low | 81.4 | Confident | 141 Ų | 141 | 79.6 Ų | 79.6 | 87% | 0.865 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -79.3 | 121.3 | 169.2 | 46.4 | 0 | 0 | 0 | 0 | 110 | L402 | T400-L402 PolarHBondContact O-N 3.47Š|
| 401 | G | 66.4 | Low | 81.5 | Confident | 21 Ų | 21 | 77.1 Ų | 77.1 | 22% | 0.216 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 117.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | H396 | H396-G401 VanDerWaalsContact CD2-CA 3.41Å; H396-G401 WeakPolarHBondContact CD2-CA 3.21Å; H396-G401 WeakPolarHBondContact NE2-CA 3.12Å |
| 402 | L | 68.9 | Low | 81.6 | Confident | 148 Ų | 148 | 76.6 Ų | 76.6 | 78% | 0.775 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -78.8 | -23.8 | 175.1 | -68.6 | 169.5 | 0 | 0 | 0 | 113.4 | T400 | T400-L402 PolarHBondContact O-N 3.47Š|
| 403 | F | 73 | Confident | 81.8 | Confident | 173 Ų | 173 | 76.5 Ų | 76.5 | 76% | 0.759 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -128.7 | 155.5 | -177.4 | -59.2 | -77.3 | 0 | 0 | 0 | 111.4 | H396 P405 | H396-F403 PolarHBondContact NE2-O 2.89Å; F403-P405 WeakPolarHBondContact O-CD 2.92Å |
| 404 | T | 72.6 | Confident | 82.2 | Confident | 30 Ų | 30 | 76 Ų | 76 | 18% | 0.184 | 40% | 0.398 | C | S | . | . | trans | -67.7 | 120.2 | 171.1 | -48.8 | 0 | 0 | 0 | 0 | 109.1 | D406 Q659 I663 | T404-D406 PolarHBondContact O-N 2.95Å; T404-Q659 HydrophobicContact CG2-CB 4.23Å; T404-Q659 HydrophobicContact CG2-CG 4.34Å; T404-I663 HydrophobicContact CG2-CD1 3.77Å; T404-I663 HydrophobicContact CG2-CG1 3.66Å | ||
| 405 | P | 77 | Confident | 82.4 | Confident | 12 Ų | 12 | 75.9 Ų | 75.9 | 8% | 0.078 | 39% | 0.388 | C | S | . | . | trans | -72.6 | 127 | -176.7 | 25.2 | -28.2 | 0 | 0 | 0 | 111.4 | I392 I395 F403 M407 A408 | I392-P405 HydrophobicContact CB-CG 4.45Å; I392-P405 HydrophobicContact CG1-CG 4.26Å; I392-P405 HydrophobicContact CG2-CG 4.21Å; I395-P405 HydrophobicContact CB-CB 4.39Å; I395-P405 HydrophobicContact CB-CG 4.48Å; I395-P405 HydrophobicContact CG2-CB 3.66Å; I395-P405 HydrophobicContact CG2-CG 4.23Å; F403-P405 WeakPolarHBondContact O-CD 2.92Å; P405-M407 VanDerWaalsContact C-N 3.34Å; P405-A408 HydrophobicContact CG-CB 4Å; P405-A408 WeakPolarHBondContact O-CB 3.39Å; P405-A408 PolarHBondContact O-N 2.84Å | ||
| 406 | D | 80.4 | Confident | 82.5 | Confident | 108 Ų | 108 | 72.6 Ų | 72.6 | 58% | 0.578 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.8 | -37.4 | 173.3 | 55.4 | -14.5 | 0 | 0 | 0 | 112.5 | T404 A408 F409 E410 | T404-D406 PolarHBondContact O-N 2.95Å; D406-A408 PolarHBondContact O-N 3.12Å; D406-A408 VanDerWaalsContact O-N 3.14Å; D406-F409 WeakPolarHBondContact O-CB 3.48Å; D406-F409 PolarHBondContact O-N 2.76Å; D406-E410 PolarHBondContact O-N 2.88Å |
| 407 | M | 85.9 | Confident | 83 | Confident | 97 Ų | 97 | 70.6 Ų | 70.6 | 48% | 0.478 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.4 | -28 | 175.6 | -68.9 | -68.4 | -74.4 | 0 | 0 | 113.3 | I395 P405 T411 | I395-M407 VanDerWaalsContact CD1-C 3.49Å; I395-M407 HydrophobicContact CD1-CB 3.67Å; I395-M407 HydrophobicContact CG1-CB 4.31Å; I395-M407 HydrophobicContact CG2-CB 4.41Å; P405-M407 VanDerWaalsContact C-N 3.34Å; M407-T411 WeakPolarHBondContact O-CB 3.48Å; M407-T411 PolarHBondContact O-N 2.92Å; M407-T411 PolarHBondContact O-OG1 2.63Å |
| 408 | A | 88.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -72.3 | -42.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | A391 I392 I395 P405 D406 I412 I663 | A391-A408 HydrophobicContact CB-CB 4.07Å; I392-A408 HydrophobicContact CG1-CB 3.99Å; I395-A408 VanDerWaalsContact CD1-CA 3.44Å; I395-A408 HydrophobicContact CD1-CB 3.63Å; P405-A408 HydrophobicContact CG-CB 4Å; P405-A408 WeakPolarHBondContact O-CB 3.39Å; P405-A408 PolarHBondContact O-N 2.84Å; D406-A408 PolarHBondContact O-N 3.12Å; D406-A408 VanDerWaalsContact O-N 3.14Å; A408-I412 WeakPolarHBondContact O-CB 3.33Å; A408-I412 WeakPolarHBondContact O-CG1 3.33Å; A408-I412 PolarHBondContact O-N 2.65Å; A408-I663 HydrophobicContact CB-CD1 3.51Å |
| 409 | F | 90.4 | Very high | 84 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.018 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.7 | -47.9 | 171.4 | 164.6 | -103.2 | 0 | 0 | 0 | 110.7 | D406 T411 I412 V413 M486 T488 F493 I663 L666 V667 Y670 | D406-F409 WeakPolarHBondContact O-CB 3.48Å; D406-F409 PolarHBondContact O-N 2.76Å; F409-T411 PolarHBondContact O-N 2.65Å; F409-I412 PolarHBondContact O-N 2.81Å; F409-V413 HydrophobicContact CD2-CG2 3.79Å; F409-V413 HydrophobicContact CE1-CG2 4.41Å; F409-V413 HydrophobicContact CE2-CG2 3.39Å; F409-V413 HydrophobicContact CG-CG2 4.44Å; F409-V413 HydrophobicContact CZ-CG2 3.75Å; F409-V413 WeakPolarHBondContact O-CB 3.22Å; F409-V413 WeakPolarHBondContact O-CG2 3.25Å; F409-V413 PolarHBondContact O-N 3.35Å; F409-M486 HydrophobicContact CD1-CE 4.07Å; F409-M486 HydrophobicContact CE1-CE 3.94Å; F409-M486 HydrophobicContact CE1-SD 4.08Å; F409-T488 HydrophobicContact CE1-CG2 4.21Å; F409-F493 HydrophobicContact CE1-CZ 4.49Å; F409-F493 HydrophobicContact CE2-CE2 4.36Å; F409-F493 HydrophobicContact CE2-CZ 4.33Å; F409-F493 HydrophobicContact CZ-CE2 4.06Å; F409-F493 AromaticContact CZ-CZ 3.89Å; F409-F493 HydrophobicContact CZ-CZ 3.89Å; F409-I663 HydrophobicContact CB-CG2 4.25Å; F409-L666 HydrophobicContact CD2-CB 3.68Å; F409-L666 HydrophobicContact CE2-CB 3.72Å; F409-V667 HydrophobicContact CD2-CG2 3.93Å; F409-V667 HydrophobicContact CE2-CG2 4.39Å; F409-Y670 HydrophobicContact CZ-CD2 4.19Å; F409-Y670 HydrophobicContact CZ-CG 4.01Å |
| 410 | E | 90.4 | Very high | 84.8 | Confident | 57 Ų | 57 | 55.4 Ų | 55.4 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.5 | -50 | 179.2 | -178 | 165.1 | 170.1 | 0 | 0 | 113.4 | D406 I412 V413 K414 M486 | D406-E410 PolarHBondContact O-N 2.88Å; E410-I412 VanDerWaalsContact C-N 3.3Å; E410-I412 PolarHBondContact O-N 3.33Å; E410-V413 PolarHBondContact O-N 2.97Å; E410-K414 HydrophobicContact CG-CD 3.94Å; E410-K414 HydrophobicContact CG-CG 4.44Å; E410-K414 WeakPolarHBondContact O-CB 3.4Å; E410-K414 WeakPolarHBondContact O-CG 3.37Å; E410-K414 PolarHBondContact O-N 3.37Å; E410-K414 VanDerWaalsContact OE1-CE 3.25Å; E410-K414 WeakPolarHBondContact OE1-CE 3.27Å; E410-K414 IonicContact OE1-NZ 3.58Å; E410-K414 PolarHBondContact OE1-NZ 3.17Å; E410-M486 VanDerWaalsContact CA-CE 3.43Å; E410-M486 HydrophobicContact CB-CE 3.32Å; E410-M486 HydrophobicContact CB-SD 4.16Å; E410-M486 HydrophobicContact CG-CE 3.34Å; E410-M486 HydrophobicContact CG-SD 3.98Å |
| 411 | T | 91.2 | Very high | 86.1 | Confident | 61 Ų | 61 | 51.8 Ų | 51.8 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | -177 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | M407 F409 R415 | M407-T411 WeakPolarHBondContact O-CB 3.48Å; M407-T411 PolarHBondContact O-N 2.92Å; M407-T411 PolarHBondContact O-OG1 2.63Å; F409-T411 PolarHBondContact O-N 2.65Å; T411-R415 WeakPolarHBondContact O-CB 3.36Å; T411-R415 PolarHBondContact O-N 3.12Å; T411-R415 VanDerWaalsContact O-N 3.11Å |
| 412 | I | 92.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.5 | -46.4 | -178.8 | -62.7 | -67 | 0 | 0 | 0 | 110.7 | L384 E387 I388 A391 A408 F409 E410 K414 R415 Q416 V667 | L384-I412 HydrophobicContact CD1-CG2 3.66Å; E387-I412 HydrophobicContact CB-CD1 3.81Å; I388-I412 HydrophobicContact CG1-CD1 4.28Å; I388-I412 HydrophobicContact CG1-CG1 3.99Å; I388-I412 HydrophobicContact CG1-CG2 4.28Å; A391-I412 HydrophobicContact CB-CD1 4.36Å; A391-I412 HydrophobicContact CB-CG1 4.42Å; A408-I412 WeakPolarHBondContact O-CB 3.33Å; A408-I412 WeakPolarHBondContact O-CG1 3.33Å; A408-I412 PolarHBondContact O-N 2.65Å; F409-I412 PolarHBondContact O-N 2.81Å; E410-I412 VanDerWaalsContact C-N 3.3Å; E410-I412 PolarHBondContact O-N 3.33Å; I412-K414 PolarHBondContact O-N 2.94Å; I412-R415 WeakPolarHBondContact O-CB 3.37Å; I412-R415 PolarHBondContact O-N 3.39Å; I412-Q416 WeakPolarHBondContact O-CG 3.38Å; I412-Q416 PolarHBondContact O-N 2.95Å; I412-V667 HydrophobicContact CB-CG2 4.2Å; I412-V667 HydrophobicContact CG2-CG1 4.1Å; I412-V667 HydrophobicContact CG2-CG2 3.76Å |
| 413 | V | 92.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.1 | -49.5 | 177 | 168 | 0 | 0 | 0 | 0 | 111 | F409 E410 R415 Q416 I417 M486 V667 Y670 | F409-V413 HydrophobicContact CD2-CG2 3.79Å; F409-V413 HydrophobicContact CE1-CG2 4.41Å; F409-V413 HydrophobicContact CE2-CG2 3.39Å; F409-V413 HydrophobicContact CG-CG2 4.44Å; F409-V413 HydrophobicContact CZ-CG2 3.75Å; F409-V413 WeakPolarHBondContact O-CB 3.22Å; F409-V413 WeakPolarHBondContact O-CG2 3.25Å; F409-V413 PolarHBondContact O-N 3.35Å; E410-V413 PolarHBondContact O-N 2.97Å; V413-R415 VanDerWaalsContact C-N 3.28Å; V413-R415 PolarHBondContact O-N 3.04Å; V413-Q416 PolarHBondContact O-N 2.97Å; V413-I417 HydrophobicContact CG1-CD1 3.59Å; V413-I417 HydrophobicContact CG1-CG1 4.12Å; V413-I417 WeakPolarHBondContact O-CG1 3.17Å; V413-I417 PolarHBondContact O-N 2.67Å; V413-M486 HydrophobicContact CB-SD 3.93Å; V413-M486 HydrophobicContact CG1-CG 4.49Å; V413-M486 HydrophobicContact CG1-SD 3.82Å; V413-V667 HydrophobicContact CG2-CB 4.44Å; V413-V667 HydrophobicContact CG2-CG1 4.43Å; V413-V667 HydrophobicContact CG2-CG2 4.02Å; V413-Y670 HydrophobicContact CG1-CD1 3.43Å; V413-Y670 VanDerWaalsContact CG1-CD1 3.43Å; V413-Y670 HydrophobicContact CG1-CE1 3.75Å; V413-Y670 HydrophobicContact CG1-CG 4.4Å; V413-Y670 HydrophobicContact CG2-CD1 4.32Å |
| 414 | K | 93.7 | Very high | 89.7 | Confident | 71 Ų | 71 | 42.7 Ų | 42.7 | 31% | 0.309 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58 | -40.8 | 178.1 | -76 | -179.5 | 173.1 | -179.4 | 0 | 112.1 | E410 I412 Q416 G418 L483 | E410-K414 HydrophobicContact CG-CD 3.94Å; E410-K414 HydrophobicContact CG-CG 4.44Å; E410-K414 WeakPolarHBondContact O-CB 3.4Å; E410-K414 WeakPolarHBondContact O-CG 3.37Å; E410-K414 PolarHBondContact O-N 3.37Å; E410-K414 VanDerWaalsContact OE1-CE 3.25Å; E410-K414 WeakPolarHBondContact OE1-CE 3.27Å; E410-K414 IonicContact OE1-NZ 3.58Å; E410-K414 PolarHBondContact OE1-NZ 3.17Å; I412-K414 PolarHBondContact O-N 2.94Å; K414-Q416 VanDerWaalsContact C-N 3.33Å; K414-Q416 PolarHBondContact O-N 3.3Å; K414-G418 PolarHBondContact O-N 3.14Å; K414-L483 HydrophobicContact CB-CD2 4Å; K414-L483 WeakPolarHBondContact CE-O 3.44Å; K414-L483 HydrophobicContact CG-CD2 4.2Å; K414-L483 WeakPolarHBondContact O-CD2 3.4Å |
| 415 | R | 90.9 | Very high | 90.8 | Very high | 120 Ų | 120 | 42.9 Ų | 42.9 | 45% | 0.453 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61 | -41.7 | 174.9 | -176.7 | 179.9 | -69.3 | 166.7 | -2.9 | 111.8 | E387 T411 I412 V413 | E387-R415 VanDerWaalsContact CD-NH1 3.3Å; E387-R415 IonicContact OE1-NH1 3.91Å; E387-R415 WeakPolarHBondContact OE2-CD 3.31Å; E387-R415 IonicContact OE2-CZ 3.79Å; E387-R415 IonicContact OE2-NH1 2.78Å; E387-R415 PolarHBondContact OE2-NH1 3.14Å; T411-R415 WeakPolarHBondContact O-CB 3.36Å; T411-R415 PolarHBondContact O-N 3.12Å; T411-R415 VanDerWaalsContact O-N 3.11Å; I412-R415 WeakPolarHBondContact O-CB 3.37Å; I412-R415 PolarHBondContact O-N 3.39Å; V413-R415 VanDerWaalsContact C-N 3.28Å; V413-R415 PolarHBondContact O-N 3.04Å |
| 416 | Q | 89.4 | Confident | 91.7 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.1 | -41 | 179.7 | -57.7 | -42.6 | -6.6 | 0 | 0 | 113.2 | F379 I412 V413 K414 G418 K419 M671 | F379-Q416 HydrophobicContact CD1-CG 4.45Å; F379-Q416 HydrophobicContact CE1-CB 4.09Å; F379-Q416 HydrophobicContact CE1-CG 3.69Å; F379-Q416 HydrophobicContact CE2-CG 4.32Å; F379-Q416 HydrophobicContact CZ-CB 3.79Å; F379-Q416 HydrophobicContact CZ-CG 3.59Å; I412-Q416 WeakPolarHBondContact O-CG 3.38Å; I412-Q416 PolarHBondContact O-N 2.95Å; V413-Q416 PolarHBondContact O-N 2.97Å; K414-Q416 VanDerWaalsContact C-N 3.33Å; K414-Q416 PolarHBondContact O-N 3.3Å; Q416-G418 PolarHBondContact O-N 2.98Å; Q416-K419 PolarHBondContact O-N 3.24Å; Q416-K419 VanDerWaalsContact O-N 3.14Å; Q416-M671 HydrophobicContact CB-CE 3.73Å; Q416-M671 HydrophobicContact CB-CG 4.39Å; Q416-M671 HydrophobicContact CB-SD 3.72Å |
| 417 | I | 93.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.9 | -38.3 | 174.5 | -63.1 | 174.8 | 0 | 0 | 0 | 110.4 | V413 K419 I420 I479 E482 L483 Y670 M671 V674 | V413-I417 HydrophobicContact CG1-CD1 3.59Å; V413-I417 HydrophobicContact CG1-CG1 4.12Å; V413-I417 WeakPolarHBondContact O-CG1 3.17Å; V413-I417 PolarHBondContact O-N 2.67Å; I417-K419 PolarHBondContact O-N 3.26Å; I417-I420 VanDerWaalsContact O-CB 3.26Å; I417-I420 WeakPolarHBondContact O-CB 3.41Å; I417-I420 PolarHBondContact O-N 2.7Å; I417-I479 HydrophobicContact CG2-CG2 3.88Å; I417-E482 HydrophobicContact CD1-CB 4.45Å; I417-E482 HydrophobicContact CG2-CB 3.94Å; I417-L483 HydrophobicContact CB-CD2 3.66Å; I417-L483 HydrophobicContact CB-CG 4.28Å; I417-L483 HydrophobicContact CG2-CD2 3.7Å; I417-L483 HydrophobicContact CG2-CG 3.73Å; I417-Y670 HydrophobicContact CD1-CE1 4.16Å; I417-M671 HydrophobicContact CG1-CE 4.38Å; I417-M671 HydrophobicContact CG1-SD 3.85Å; I417-V674 HydrophobicContact CD1-CG2 4.01Å; I417-V674 HydrophobicContact CG1-CG1 4.23Å; I417-V674 HydrophobicContact CG1-CG2 4.36Å |
| 418 | G | 92 | Very high | 93.1 | Very high | 29 Ų | 29 | 36 Ų | 36 | 30% | 0.299 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.6 | -33.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K414 Q416 I420 K421 | K414-G418 PolarHBondContact O-N 3.14Å; Q416-G418 PolarHBondContact O-N 2.98Å; G418-I420 VanDerWaalsContact C-N 3.27Å; G418-I420 PolarHBondContact O-N 3.37Å; G418-K421 WeakPolarHBondContact O-CG 3.44Å; G418-K421 PolarHBondContact O-N 3.47Å |
| 419 | K | 90.9 | Very high | 93.5 | Very high | 86 Ų | 86 | 38.9 Ų | 38.9 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -70.5 | -21 | 177.7 | -63.9 | 177.4 | -177.4 | 168.1 | 0 | 113.1 | M377 Q416 I417 K421 P423 | M377-K419 HydrophobicContact SD-CB 4.29Å; M377-K419 VanDerWaalsContact SD-O 3.35Å; Q416-K419 PolarHBondContact O-N 3.24Å; Q416-K419 VanDerWaalsContact O-N 3.14Å; I417-K419 PolarHBondContact O-N 3.26Å; K419-K421 PolarHBondContact O-N 3.37Å; K419-P423 WeakPolarHBondContact O-CD 3.49Å |
| 420 | I | 92.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -21.5 | 179.4 | -59.6 | 177.9 | 0 | 0 | 0 | 112.8 | L374 M377 I417 G418 E422 P423 C424 I479 M671 V674 V678 | L374-I420 HydrophobicContact CD2-CG2 3.89Å; M377-I420 HydrophobicContact CE-CG1 4.28Å; I417-I420 VanDerWaalsContact O-CB 3.26Å; I417-I420 WeakPolarHBondContact O-CB 3.41Å; I417-I420 PolarHBondContact O-N 2.7Å; G418-I420 VanDerWaalsContact C-N 3.27Å; G418-I420 PolarHBondContact O-N 3.37Å; I420-E422 VanDerWaalsContact C-N 3.32Å; I420-E422 PolarHBondContact O-N 3.21Å; I420-P423 WeakPolarHBondContact O-CD 3.45Å; I420-C424 VanDerWaalsContact CG2-SG 3.54Å; I420-C424 PolarHBondContact O-N 3.03Å; I420-C424 PolarHBondContact O-SG 3.47Å; I420-I479 HydrophobicContact CG2-CD1 3.84Å; I420-M671 HydrophobicContact CD1-CE 3.86Å; I420-V674 HydrophobicContact CD1-CG1 3.85Å; I420-V678 HydrophobicContact CG2-CG1 3.83Å; I420-V678 HydrophobicContact CG2-CG2 4.26Å |
| 421 | K | 94.6 | Very high | 94.1 | Very high | 65 Ų | 65 | 38 Ų | 38 | 28% | 0.283 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -55.1 | -45.5 | -179.5 | -68.5 | -175.8 | 174.4 | -168.8 | 0 | 112.6 | G418 K419 C424 T425 L476 I479 D480 | G418-K421 WeakPolarHBondContact O-CG 3.44Å; G418-K421 PolarHBondContact O-N 3.47Å; K419-K421 PolarHBondContact O-N 3.37Å; K421-C424 PolarHBondContact O-N 2.83Å; K421-T425 PolarHBondContact O-N 3.02Å; K421-T425 PolarHBondContact O-OG1 3.16Å; K421-L476 HydrophobicContact CB-CD2 3.87Å; K421-L476 HydrophobicContact CD-CD2 4.08Å; K421-L476 HydrophobicContact CG-CD2 3.96Å; K421-I479 HydrophobicContact CG-CB 4.15Å; K421-I479 HydrophobicContact CG-CG2 3.71Å; K421-D480 WeakPolarHBondContact CE-OD1 3.35Å; K421-D480 IonicContact NZ-OD1 3.42Å; K421-D480 PolarHBondContact NZ-OD1 2.84Å; K421-D480 IonicContact NZ-OD2 3.02Å |
| 422 | E | 93.7 | Very high | 94.3 | Very high | 144 Ų | 144 | 35.8 Ų | 35.8 | 67% | 0.673 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -65.5 | -53.5 | -174.3 | 176.5 | -179 | -177.9 | 0 | 0 | 112.6 | I420 C424 T425 K426 | I420-E422 VanDerWaalsContact C-N 3.32Å; I420-E422 PolarHBondContact O-N 3.21Å; E422-C424 PolarHBondContact O-N 2.86Å; E422-T425 PolarHBondContact O-N 3.33Å; E422-T425 VanDerWaalsContact O-N 3.14Å; E422-T425 PolarHBondContact O-OG1 3.21Å; E422-K426 WeakPolarHBondContact O-CB 3.48Å; E422-K426 PolarHBondContact O-N 2.97Å |
| 423 | P | 94.3 | Very high | 94.5 | Very high | 6 Ų | 6 | 39 Ų | 39 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.7 | -34.6 | 174.9 | -27.2 | 33.8 | 0 | 0 | 0 | 114.1 | F370 E373 L374 M377 K419 I420 K426 C427 | F370-P423 HydrophobicContact CE2-CB 4.37Å; E373-P423 HydrophobicContact CB-CB 4.11Å; L374-P423 HydrophobicContact CD2-CB 3.95Å; L374-P423 HydrophobicContact CD2-CG 4.37Å; M377-P423 HydrophobicContact CE-CG 3.52Å; M377-P423 HydrophobicContact CG-CG 4.18Å; M377-P423 HydrophobicContact SD-CG 3.32Å; M377-P423 WeakPolarHBondContact SD-CG 3.36Å; K419-P423 WeakPolarHBondContact O-CD 3.49Å; I420-P423 WeakPolarHBondContact O-CD 3.45Å; P423-K426 PolarHBondContact O-N 3.02Å; P423-C427 WeakPolarHBondContact O-CB 3.29Å; P423-C427 PolarHBondContact O-N 2.87Å |
| 424 | C | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.2 | -45.1 | 177.2 | -64.4 | 0 | 0 | 0 | 0 | 111 | F370 I420 K421 E422 K426 C427 V428 V475 I682 | F370-C424 HydrophobicContact CE2-CB 4.46Å; I420-C424 VanDerWaalsContact CG2-SG 3.54Å; I420-C424 PolarHBondContact O-N 3.03Å; I420-C424 PolarHBondContact O-SG 3.47Å; K421-C424 PolarHBondContact O-N 2.83Å; E422-C424 PolarHBondContact O-N 2.86Å; C424-K426 PolarHBondContact O-N 3.46Å; C424-C427 WeakPolarHBondContact O-CB 3.22Å; C424-C427 PolarHBondContact O-N 3.35Å; C424-V428 WeakPolarHBondContact O-CG2 3.34Å; C424-V428 PolarHBondContact O-N 3.36Å; C424-V475 HydrophobicContact CB-CG1 3.47Å; C424-V475 VanDerWaalsContact CB-CG1 3.47Å; C424-I682 HydrophobicContact CB-CD1 4.4Å; C424-I682 HydrophobicContact CB-CG1 4.5Å |
| 425 | T | 96.4 | Very high | 94.7 | Very high | 34 Ų | 34 | 36.1 Ų | 36.1 | 21% | 0.209 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.7 | -40.5 | 175.1 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | K421 E422 C427 V428 D429 L476 | K421-T425 PolarHBondContact O-N 3.02Å; K421-T425 PolarHBondContact O-OG1 3.16Å; E422-T425 PolarHBondContact O-N 3.33Å; E422-T425 VanDerWaalsContact O-N 3.14Å; E422-T425 PolarHBondContact O-OG1 3.21Å; T425-C427 VanDerWaalsContact C-N 3.32Å; T425-C427 PolarHBondContact O-N 3.46Å; T425-V428 WeakPolarHBondContact O-CB 3.35Å; T425-V428 PolarHBondContact O-N 3.08Å; T425-V428 VanDerWaalsContact O-N 3.14Å; T425-D429 PolarHBondContact O-N 3.4Å; T425-D429 VanDerWaalsContact O-N 3.08Å; T425-L476 HydrophobicContact CG2-CD2 3.94Å; T425-L476 HydrophobicContact CG2-CG 4.3Å |
| 426 | K | 95.8 | Very high | 94.9 | Very high | 74 Ų | 74 | 31.3 Ų | 31.3 | 32% | 0.322 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.2 | -36.4 | 176.2 | -170.6 | -178.4 | -176.2 | -178 | 0 | 112.6 | E373 E422 P423 C424 V428 D429 M430 | E373-K426 IonicContact OE1-NZ 3.96Å; E373-K426 PolarHBondContact OE1-NZ 3.42Å; E373-K426 IonicContact OE2-NZ 2.77Å; E373-K426 PolarHBondContact OE2-NZ 3.43Å; E422-K426 WeakPolarHBondContact O-CB 3.48Å; E422-K426 PolarHBondContact O-N 2.97Å; P423-K426 PolarHBondContact O-N 3.02Å; C424-K426 PolarHBondContact O-N 3.46Å; K426-V428 VanDerWaalsContact C-N 3.33Å; K426-D429 PolarHBondContact O-N 2.88Å; K426-M430 HydrophobicContact CG-CE 4.38Å; K426-M430 WeakPolarHBondContact O-CG 3.24Å; K426-M430 PolarHBondContact O-N 2.9Å |
| 427 | C | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59 | -45.9 | 173.1 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | F370 P423 C424 T425 D429 M430 V431 | F370-C427 HydrophobicContact CB-CB 4.32Å; F370-C427 HydrophobicContact CD2-CB 3.56Å; F370-C427 HydrophobicContact CE2-CB 4.03Å; F370-C427 HydrophobicContact CG-CB 4.04Å; P423-C427 WeakPolarHBondContact O-CB 3.29Å; P423-C427 PolarHBondContact O-N 2.87Å; C424-C427 WeakPolarHBondContact O-CB 3.22Å; C424-C427 PolarHBondContact O-N 3.35Å; T425-C427 VanDerWaalsContact C-N 3.32Å; T425-C427 PolarHBondContact O-N 3.46Å; C427-D429 PolarHBondContact O-N 2.87Å; C427-M430 PolarHBondContact O-N 3.39Å; C427-V431 WeakPolarHBondContact O-CG2 3.2Å; C427-V431 PolarHBondContact O-N 2.87Å |
| 428 | V | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 176 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | C424 T425 K426 M430 V431 I432 T471 K472 V475 V686 M690 | C424-V428 WeakPolarHBondContact O-CG2 3.34Å; C424-V428 PolarHBondContact O-N 3.36Å; T425-V428 WeakPolarHBondContact O-CB 3.35Å; T425-V428 PolarHBondContact O-N 3.08Å; T425-V428 VanDerWaalsContact O-N 3.14Å; K426-V428 VanDerWaalsContact C-N 3.33Å; V428-M430 PolarHBondContact O-N 2.88Å; V428-V431 PolarHBondContact O-N 3.21Å; V428-I432 HydrophobicContact CG1-CD1 3.81Å; V428-I432 HydrophobicContact CG1-CG1 4.43Å; V428-I432 WeakPolarHBondContact O-CD1 3.26Å; V428-I432 WeakPolarHBondContact O-CG1 3.38Å; V428-I432 PolarHBondContact O-N 3.06Å; V428-T471 HydrophobicContact CG1-CG2 4.14Å; V428-T471 HydrophobicContact CG2-CG2 4.37Å; V428-K472 HydrophobicContact CB-CG 4.37Å; V428-K472 HydrophobicContact CG1-CG 4.06Å; V428-V475 HydrophobicContact CG2-CG2 4.06Å; V428-V686 HydrophobicContact CG2-CG2 3.86Å; V428-M690 HydrophobicContact CG1-CE 3.68Å |
| 429 | D | 97 | Very high | 95.3 | Very high | 59 Ų | 59 | 33.2 Ų | 33.2 | 32% | 0.316 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.6 | -41.5 | 179.7 | -66.9 | -30.4 | 0 | 0 | 0 | 113.4 | T425 K426 C427 V431 I432 S433 K472 | T425-D429 PolarHBondContact O-N 3.4Å; T425-D429 VanDerWaalsContact O-N 3.08Å; K426-D429 PolarHBondContact O-N 2.88Å; C427-D429 PolarHBondContact O-N 2.87Å; D429-V431 VanDerWaalsContact C-N 3.34Å; D429-I432 PolarHBondContact O-N 3.42Å; D429-S433 PolarHBondContact O-N 2.86Å; D429-S433 PolarHBondContact O-OG 3.2Å; D429-K472 WeakPolarHBondContact OD1-CE 3.23Å; D429-K472 IonicContact OD1-NZ 3.58Å; D429-K472 PolarHBondContact OD1-NZ 3.41Å; D429-K472 IonicContact OD2-NZ 3.78Å |
| 430 | M | 96.6 | Very high | 95.4 | Very high | 43 Ų | 43 | 34.9 Ų | 34.9 | 21% | 0.212 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.3 | -39.7 | 177 | -70.7 | -175.6 | -68.3 | 0 | 0 | 111.6 | I365 R369 K426 C427 V428 S433 E434 | I365-M430 HydrophobicContact CD1-CB 3.9Å; I365-M430 HydrophobicContact CG1-CB 4.24Å; I365-M430 HydrophobicContact CG2-CB 4.05Å; I365-M430 HydrophobicContact CG2-CE 4.11Å; R369-M430 HydrophobicContact CG-CE 3.83Å; R369-M430 HydrophobicContact CG-SD 3.82Å; K426-M430 HydrophobicContact CG-CE 4.38Å; K426-M430 WeakPolarHBondContact O-CG 3.24Å; K426-M430 PolarHBondContact O-N 2.9Å; C427-M430 PolarHBondContact O-N 3.39Å; V428-M430 PolarHBondContact O-N 2.88Å; M430-S433 PolarHBondContact O-N 3.46Å; M430-E434 PolarHBondContact O-N 3.34Å |
| 431 | V | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.3 | -41.7 | 177.3 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | I362 I365 F366 C427 V428 D429 S433 E434 L435 V686 M690 I691 | I362-V431 HydrophobicContact CD1-CG1 4.48Å; I362-V431 HydrophobicContact CG1-CG1 4.49Å; I362-V431 HydrophobicContact CG2-CG1 4.48Å; I362-V431 HydrophobicContact CG2-CG2 4.46Å; I365-V431 HydrophobicContact CD1-CG2 4.47Å; I365-V431 HydrophobicContact CG2-CG2 3.9Å; F366-V431 HydrophobicContact CD1-CG2 4.37Å; F366-V431 HydrophobicContact CE1-CG2 3.61Å; F366-V431 HydrophobicContact CZ-CG2 3.92Å; C427-V431 WeakPolarHBondContact O-CG2 3.2Å; C427-V431 PolarHBondContact O-N 2.87Å; V428-V431 PolarHBondContact O-N 3.21Å; D429-V431 VanDerWaalsContact C-N 3.34Å; V431-S433 VanDerWaalsContact C-N 3.31Å; V431-S433 PolarHBondContact O-N 3.45Å; V431-E434 PolarHBondContact O-N 3.33Å; V431-L435 HydrophobicContact CG1-CD1 4.17Å; V431-L435 HydrophobicContact CG1-CG 4.32Å; V431-L435 WeakPolarHBondContact O-CG 3.47Å; V431-L435 PolarHBondContact O-N 3.16Å; V431-V686 HydrophobicContact CB-CG1 4.12Å; V431-V686 HydrophobicContact CG1-CG1 3.75Å; V431-V686 HydrophobicContact CG2-CG1 4.24Å; V431-M690 HydrophobicContact CG1-SD 4.32Å; V431-I691 HydrophobicContact CG1-CD1 4Å; V431-I691 HydrophobicContact CG1-CG1 4.33Å |
| 432 | I | 96.1 | Very high | 95.1 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 7% | 0.072 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.2 | -46.8 | 176.1 | -69.7 | 159.5 | 0 | 0 | 0 | 110.8 | V428 D429 E434 L435 V436 I464 E468 M690 | V428-I432 HydrophobicContact CG1-CD1 3.81Å; V428-I432 HydrophobicContact CG1-CG1 4.43Å; V428-I432 WeakPolarHBondContact O-CD1 3.26Å; V428-I432 WeakPolarHBondContact O-CG1 3.38Å; V428-I432 PolarHBondContact O-N 3.06Å; D429-I432 PolarHBondContact O-N 3.42Å; I432-E434 VanDerWaalsContact C-N 3.25Å; I432-E434 PolarHBondContact O-N 2.74Å; I432-L435 PolarHBondContact O-N 2.94Å; I432-V436 HydrophobicContact CG2-CG2 4.39Å; I432-V436 WeakPolarHBondContact O-CG2 3.33Å; I432-V436 PolarHBondContact O-N 3.1Å; I432-I464 HydrophobicContact CG2-CG2 3.98Å; I432-E468 HydrophobicContact CD1-CB 3.48Å; I432-E468 VanDerWaalsContact CD1-CB 3.48Å; I432-E468 HydrophobicContact CD1-CG 3.31Å; I432-E468 HydrophobicContact CG1-CB 4.37Å; I432-M690 HydrophobicContact CD1-CE 3.75Å; I432-M690 HydrophobicContact CD1-SD 4.38Å; I432-M690 HydrophobicContact CG1-CE 3.48Å; I432-M690 VanDerWaalsContact CG1-CE 3.48Å; I432-M690 HydrophobicContact CG1-SD 3.48Å; I432-M690 WeakPolarHBondContact CG1-SD 3.17Å |
| 433 | S | 95.7 | Very high | 95.1 | Very high | 69 Ų | 69 | 29.5 Ų | 29.5 | 48% | 0.483 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -57.5 | -42.5 | 179.4 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | D429 M430 V431 N437 | D429-S433 PolarHBondContact O-N 2.86Å; D429-S433 PolarHBondContact O-OG 3.2Å; M430-S433 PolarHBondContact O-N 3.46Å; V431-S433 VanDerWaalsContact C-N 3.31Å; V431-S433 PolarHBondContact O-N 3.45Å; S433-N437 PolarHBondContact O-N 3.34Å; S433-N437 VanDerWaalsContact O-N 3.11Å; S433-N437 PolarHBondContact O-ND2 2.91Å |
| 434 | E | 95.1 | Very high | 94.8 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.7 | -37.8 | 178.2 | -169.4 | 57.7 | -160.1 | 0 | 0 | 113.2 | G358 R361 I362 M430 V431 I432 N437 T438 | G358-E434 PolarHBondContact N-OE1 3.19Å; R361-E434 HydrophobicContact CB-CG 4.09Å; R361-E434 WeakPolarHBondContact CD-OE2 3.29Å; R361-E434 HydrophobicContact CG-CG 4.17Å; R361-E434 IonicContact CZ-OE2 3.17Å; R361-E434 IonicContact NE-OE2 2.71Å; R361-E434 PolarHBondContact NE-OE2 2.67Å; R361-E434 IonicContact NH1-OE2 2.8Å; I362-E434 HydrophobicContact CD1-CG 4.44Å; I362-E434 HydrophobicContact CG1-CB 4.16Å; I362-E434 HydrophobicContact CG1-CG 3.86Å; M430-E434 PolarHBondContact O-N 3.34Å; V431-E434 PolarHBondContact O-N 3.33Å; I432-E434 VanDerWaalsContact C-N 3.25Å; I432-E434 PolarHBondContact O-N 2.74Å; E434-N437 PolarHBondContact O-N 3.18Å; E434-T438 PolarHBondContact O-N 2.82Å; E434-T438 PolarHBondContact O-OG1 3.08Å |
| 435 | L | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 175 | -73.7 | 176.1 | 0 | 0 | 0 | 111.9 | F340 I344 I362 V431 I432 N437 T438 V439 I464 M690 I691 | F340-L435 HydrophobicContact CZ-CD2 4.21Å; I344-L435 HydrophobicContact CD1-CD2 3.69Å; I362-L435 HydrophobicContact CD1-CD2 3.92Å; I362-L435 HydrophobicContact CD1-CG 4.35Å; V431-L435 HydrophobicContact CG1-CD1 4.17Å; V431-L435 HydrophobicContact CG1-CG 4.32Å; V431-L435 WeakPolarHBondContact O-CG 3.47Å; V431-L435 PolarHBondContact O-N 3.16Å; I432-L435 PolarHBondContact O-N 2.94Å; L435-N437 VanDerWaalsContact C-N 3.32Å; L435-N437 PolarHBondContact O-N 3.46Å; L435-T438 WeakPolarHBondContact O-CB 3.45Å; L435-T438 PolarHBondContact O-N 3.5Å; L435-V439 WeakPolarHBondContact O-CG2 3.43Å; L435-V439 PolarHBondContact O-N 3.48Å; L435-I464 HydrophobicContact CB-CD1 4.12Å; L435-M690 HydrophobicContact CD1-CG 3.72Å; L435-M690 HydrophobicContact CD1-SD 3.9Å; L435-I691 HydrophobicContact CD1-CG1 4.03Å; L435-I691 HydrophobicContact CD2-CG1 4.24Å |
| 436 | V | 95.7 | Very high | 93.8 | Very high | 19 Ų | 19 | 41.2 Ų | 41.2 | 12% | 0.115 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.5 | -39.6 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | I432 T438 V439 R440 T461 I464 | I432-V436 HydrophobicContact CG2-CG2 4.39Å; I432-V436 WeakPolarHBondContact O-CG2 3.33Å; I432-V436 PolarHBondContact O-N 3.1Å; V436-T438 VanDerWaalsContact C-N 3.33Å; V436-T438 PolarHBondContact O-N 2.87Å; V436-V439 PolarHBondContact O-N 3.28Å; V436-R440 WeakPolarHBondContact O-CG 2.93Å; V436-R440 PolarHBondContact O-N 2.69Å; V436-R440 VanDerWaalsContact O-N 3.08Å; V436-T461 HydrophobicContact CG1-CG2 4.33Å; V436-T461 HydrophobicContact CG2-CG2 4.22Å; V436-I464 HydrophobicContact CG2-CD1 4.4Å; V436-I464 HydrophobicContact CG2-CG2 4.24Å |
| 437 | N | 93.8 | Very high | 93.2 | Very high | 71 Ų | 71 | 40.3 Ų | 40.3 | 38% | 0.38 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 174.1 | -72.1 | -22.3 | 0 | 0 | 0 | 112.1 | S433 E434 L435 R440 Q441 | S433-N437 PolarHBondContact O-N 3.34Å; S433-N437 VanDerWaalsContact O-N 3.11Å; S433-N437 PolarHBondContact O-ND2 2.91Å; E434-N437 PolarHBondContact O-N 3.18Å; L435-N437 VanDerWaalsContact C-N 3.32Å; L435-N437 PolarHBondContact O-N 3.46Å; N437-R440 WeakPolarHBondContact O-CB 3.35Å; N437-R440 PolarHBondContact O-N 3.43Å; N437-Q441 PolarHBondContact O-N 2.82Å |
| 438 | T | 92.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62 | -46.6 | 177 | -56.9 | 0 | 0 | 0 | 0 | 111 | F340 C343 I344 E434 L435 V436 R440 Q441 C442 | F340-T438 HydrophobicContact CD2-CG2 4.01Å; F340-T438 HydrophobicContact CE2-CG2 4.06Å; C343-T438 HydrophobicContact CB-CG2 3.63Å; I344-T438 HydrophobicContact CD1-CG2 4.11Å; I344-T438 HydrophobicContact CG1-CG2 4.49Å; E434-T438 PolarHBondContact O-N 2.82Å; E434-T438 PolarHBondContact O-OG1 3.08Å; L435-T438 WeakPolarHBondContact O-CB 3.45Å; L435-T438 PolarHBondContact O-N 3.5Å; V436-T438 VanDerWaalsContact C-N 3.33Å; V436-T438 PolarHBondContact O-N 2.87Å; T438-R440 VanDerWaalsContact C-N 3.34Å; T438-R440 PolarHBondContact O-N 2.95Å; T438-Q441 PolarHBondContact O-N 2.62Å; T438-Q441 VanDerWaalsContact O-N 3.12Å; T438-C442 PolarHBondContact O-N 2.85Å; T438-C442 PolarHBondContact O-SG 3.29Å |
| 439 | V | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -54.9 | -50.4 | 175.2 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | F336 F340 L435 V436 Q441 C442 T443 E457 V460 I464 | F336-V439 HydrophobicContact CZ-CG1 4.27Å; F340-V439 HydrophobicContact CD2-CG2 4.23Å; F340-V439 HydrophobicContact CE2-CG2 3.79Å; L435-V439 WeakPolarHBondContact O-CG2 3.43Å; L435-V439 PolarHBondContact O-N 3.48Å; V436-V439 PolarHBondContact O-N 3.28Å; V439-Q441 VanDerWaalsContact C-N 3.28Å; V439-Q441 PolarHBondContact O-N 2.95Å; V439-C442 PolarHBondContact O-N 3.42Å; V439-T443 HydrophobicContact CG1-CG2 4.28Å; V439-T443 WeakPolarHBondContact O-CG2 3.46Å; V439-T443 PolarHBondContact O-N 2.98Å; V439-T443 PolarHBondContact O-OG1 3.24Å; V439-E457 HydrophobicContact CG1-CG 4.4Å; V439-V460 HydrophobicContact CG1-CB 4.2Å; V439-V460 HydrophobicContact CG1-CG1 4.19Å; V439-V460 HydrophobicContact CG2-CB 4.47Å; V439-V460 HydrophobicContact CG2-CG1 3.59Å; V439-I464 HydrophobicContact CG2-CD1 3.9Å |
| 440 | R | 93.2 | Very high | 91.7 | Very high | 121 Ų | 121 | 43.6 Ų | 43.6 | 46% | 0.457 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.9 | -37.9 | 177.7 | -78.9 | 173.2 | 174.8 | 174 | 2.7 | 113.5 | V436 N437 T438 T443 K444 E457 | V436-R440 WeakPolarHBondContact O-CG 2.93Å; V436-R440 PolarHBondContact O-N 2.69Å; V436-R440 VanDerWaalsContact O-N 3.08Å; N437-R440 WeakPolarHBondContact O-CB 3.35Å; N437-R440 PolarHBondContact O-N 3.43Å; T438-R440 VanDerWaalsContact C-N 3.34Å; T438-R440 PolarHBondContact O-N 2.95Å; R440-T443 PolarHBondContact O-OG1 3.39Å; R440-K444 WeakPolarHBondContact O-CG 3.35Å; R440-K444 PolarHBondContact O-N 3.18Å; R440-E457 HydrophobicContact CG-CG 4.41Å; R440-E457 WeakPolarHBondContact CG-OE1 2.97Å; R440-E457 IonicContact CZ-OE1 2.69Å; R440-E457 IonicContact NE-OE1 3.71Å; R440-E457 PolarHBondContact NE-OE1 3.45Å |
| 441 | Q | 90.4 | Very high | 91.4 | Very high | 92 Ų | 92 | 45.4 Ų | 45.4 | 43% | 0.43 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -70.1 | -42.5 | 178.9 | -170.5 | 170.1 | 3.6 | 0 | 0 | 111.2 | N437 T438 V439 K444 | N437-Q441 PolarHBondContact O-N 2.82Å; T438-Q441 PolarHBondContact O-N 2.62Å; T438-Q441 VanDerWaalsContact O-N 3.12Å; V439-Q441 VanDerWaalsContact C-N 3.28Å; V439-Q441 PolarHBondContact O-N 2.95Å; Q441-K444 WeakPolarHBondContact O-CB 3.44Å; Q441-K444 PolarHBondContact O-N 3.14Å |
| 442 | C | 91.1 | Very high | 91.1 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.6 | -41.4 | 176.3 | -63 | 0 | 0 | 0 | 0 | 112 | F336 T438 V439 K444 K445 | F336-C442 HydrophobicContact CD2-CB 3.79Å; F336-C442 HydrophobicContact CE2-CB 3.61Å; T438-C442 PolarHBondContact O-N 2.85Å; T438-C442 PolarHBondContact O-SG 3.29Å; V439-C442 PolarHBondContact O-N 3.42Å; C442-K444 VanDerWaalsContact C-N 3.26Å; C442-K444 PolarHBondContact O-N 3.15Å; C442-K445 PolarHBondContact O-N 2.88Å |
| 443 | T | 92.9 | Very high | 91 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.7 | -15.5 | -178.8 | 61.6 | 0 | 0 | 0 | 0 | 113.8 | F336 V439 R440 K445 L446 R453 M456 E457 | F336-T443 HydrophobicContact CD2-CG2 4.11Å; F336-T443 HydrophobicContact CE2-CG2 3.61Å; F336-T443 HydrophobicContact CZ-CG2 4.43Å; V439-T443 HydrophobicContact CG1-CG2 4.28Å; V439-T443 WeakPolarHBondContact O-CG2 3.46Å; V439-T443 PolarHBondContact O-N 2.98Å; V439-T443 PolarHBondContact O-OG1 3.24Å; R440-T443 PolarHBondContact O-OG1 3.39Å; T443-K445 PolarHBondContact O-N 2.99Å; T443-L446 HydrophobicContact CG2-CD1 4.45Å; T443-L446 VanDerWaalsContact O-CB 3.32Å; T443-L446 WeakPolarHBondContact O-CB 3.26Å; T443-L446 PolarHBondContact O-N 3.3Å; T443-R453 WeakPolarHBondContact O-CD 3.31Å; T443-R453 WeakPolarHBondContact O-CG 3.49Å; T443-M456 HydrophobicContact CG2-CG 4.44Å; T443-E457 HydrophobicContact CG2-CB 4.28Å |
| 444 | K | 89.4 | Confident | 90.9 | Very high | 135 Ų | 135 | 51.6 Ų | 51.6 | 59% | 0.587 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -57.1 | -32.5 | 174.1 | -76.5 | 176.2 | -175.6 | -179.9 | 0 | 113 | R440 Q441 C442 L446 A447 | R440-K444 WeakPolarHBondContact O-CG 3.35Å; R440-K444 PolarHBondContact O-N 3.18Å; Q441-K444 WeakPolarHBondContact O-CB 3.44Å; Q441-K444 PolarHBondContact O-N 3.14Å; C442-K444 VanDerWaalsContact C-N 3.26Å; C442-K444 PolarHBondContact O-N 3.15Å; K444-L446 PolarHBondContact O-N 2.88Å; K444-A447 WeakPolarHBondContact O-CB 3.48Å; K444-A447 PolarHBondContact O-N 2.92Å |
| 445 | K | 84.5 | Confident | 90.8 | Very high | 144 Ų | 144 | 53 Ų | 53 | 63% | 0.626 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -69.3 | -12.9 | 177.3 | -63.1 | -178 | -172.4 | 174.2 | 0 | 113.2 | D339 C442 T443 A447 | D339-K445 VanDerWaalsContact CG-NZ 3.28Å; D339-K445 IonicContact OD1-NZ 2.78Å; D339-K445 PolarHBondContact OD1-NZ 3.38Å; D339-K445 VanDerWaalsContact OD2-CD 3.24Å; D339-K445 WeakPolarHBondContact OD2-CD 3.48Å; D339-K445 WeakPolarHBondContact OD2-CE 3.23Å; D339-K445 IonicContact OD2-NZ 3.31Å; D339-K445 PolarHBondContact OD2-NZ 2.85Å; C442-K445 PolarHBondContact O-N 2.88Å; T443-K445 PolarHBondContact O-N 2.99Å; K445-A447 VanDerWaalsContact C-N 3.31Å |
| 446 | L | 85.6 | Confident | 90.7 | Very high | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -91.6 | 13.2 | 176.5 | -55 | 175.3 | 0 | 0 | 0 | 112.7 | M332 T443 K444 Q448 Y449 R453 M456 | M332-L446 HydrophobicContact CB-CD2 3.84Å; M332-L446 HydrophobicContact CG-CD2 4.16Å; M332-L446 HydrophobicContact SD-CD2 3.7Å; T443-L446 HydrophobicContact CG2-CD1 4.45Å; T443-L446 VanDerWaalsContact O-CB 3.32Å; T443-L446 WeakPolarHBondContact O-CB 3.26Å; T443-L446 PolarHBondContact O-N 3.3Å; K444-L446 PolarHBondContact O-N 2.88Å; L446-Q448 PolarHBondContact O-N 2.7Å; L446-Y449 CarbonylContact O-C 3.57Å; L446-Y449 PolarHBondContact O-N 3.28Å; L446-R453 HydrophobicContact CB-CB 4.04Å; L446-R453 HydrophobicContact CB-CG 4.33Å; L446-M456 HydrophobicContact CD1-CE 4.22Å; L446-M456 HydrophobicContact CD1-SD 3.39Å; L446-M456 WeakPolarHBondContact CD1-SD 3.36Å |
| 447 | A | 83.4 | Confident | 90.7 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -21.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K444 K445 Y449 | K444-A447 WeakPolarHBondContact O-CB 3.48Å; K444-A447 PolarHBondContact O-N 2.92Å; K445-A447 VanDerWaalsContact C-N 3.31Å; A447-Y449 PolarHBondContact O-N 3.29Å |
| 448 | Q | 83 | Confident | 90.8 | Very high | 55 Ų | 55 | 56.5 Ų | 56.5 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -33.6 | 173.2 | -171.1 | 177.4 | 9 | 0 | 0 | 113 | L446 S719 Q722 | L446-Q448 PolarHBondContact O-N 2.7Å; Q448-S719 PolarHBondContact O-N 2.99Å; Q448-S719 VanDerWaalsContact O-N 3.09Å; Q448-Q722 HydrophobicContact CG-CG 3.92Å |
| 449 | Y | 88.3 | Confident | 90.9 | Very high | 22 Ų | 22 | 56.7 Ų | 56.7 | 9% | 0.086 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -122.3 | 84.8 | -177.9 | -60.1 | -75 | 0 | 0 | 0 | 109.2 | M332 L446 A447 M451 L452 R453 M716 E718 | M332-Y449 HydrophobicContact CE-CE2 4.26Å; L446-Y449 CarbonylContact O-C 3.57Å; L446-Y449 PolarHBondContact O-N 3.28Å; A447-Y449 PolarHBondContact O-N 3.29Å; Y449-M451 VanDerWaalsContact C-N 3.35Å; Y449-M451 PolarHBondContact O-N 3.32Å; Y449-L452 PolarHBondContact O-N 2.99Å; Y449-R453 WeakPolarHBondContact O-CB 3.4Å; Y449-R453 PolarHBondContact O-N 3.31Å; Y449-M716 HydrophobicContact CD1-CE 4.01Å; Y449-M716 HydrophobicContact CD2-CE 4.22Å; Y449-M716 HydrophobicContact CE1-CE 3.81Å; Y449-M716 HydrophobicContact CE2-CE 4.06Å; Y449-M716 HydrophobicContact CG-CE 4.19Å; Y449-E718 HydrophobicContact CE1-CG 4.09Å |
| 450 | P | 89.9 | Confident | 91 | Very high | 51 Ų | 51 | 56.7 Ų | 56.7 | 33% | 0.331 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | -171.7 | 22 | -32.9 | 0 | 0 | 0 | 112.8 | R453 E454 | P450-R453 WeakPolarHBondContact O-CB 3.36Å; P450-R453 PolarHBondContact O-N 3.48Å; P450-E454 WeakPolarHBondContact O-CG 3.4Å; P450-E454 PolarHBondContact O-N 3.38Å |
| 451 | M | 90.6 | Very high | 91.1 | Very high | 80 Ų | 80 | 51.7 Ų | 51.7 | 39% | 0.394 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.6 | -43.7 | 179.1 | -61.9 | -54.3 | -62.8 | 0 | 0 | 111.8 | Y449 R453 E454 E455 | Y449-M451 VanDerWaalsContact C-N 3.35Å; Y449-M451 PolarHBondContact O-N 3.32Å; M451-R453 VanDerWaalsContact C-N 3.31Å; M451-R453 PolarHBondContact O-N 3Å; M451-E454 PolarHBondContact O-N 3.36Å; M451-E455 WeakPolarHBondContact O-CB 3.1Å; M451-E455 PolarHBondContact O-N 3.48Å |
| 452 | L | 91.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.8 | -44.4 | 173.3 | 176.4 | 62.3 | 0 | 0 | 0 | 111.7 | L329 M332 Y449 E455 M456 L706 L715 M716 | L329-L452 HydrophobicContact CD1-CD1 3.43Å; L329-L452 VanDerWaalsContact CD1-CD1 3.43Å; L329-L452 HydrophobicContact CD1-CD2 4.1Å; L329-L452 HydrophobicContact CD1-CG 4.42Å; M332-L452 HydrophobicContact CB-CD2 4.02Å; M332-L452 HydrophobicContact CG-CD2 4.41Å; Y449-L452 PolarHBondContact O-N 2.99Å; L452-E455 PolarHBondContact O-N 2.8Å; L452-M456 HydrophobicContact CD1-CE 4.41Å; L452-M456 WeakPolarHBondContact O-CB 3.5Å; L452-M456 PolarHBondContact O-N 3.05Å; L452-L706 HydrophobicContact CD1-CD1 4.16Å; L452-L706 HydrophobicContact CD1-CD2 4.09Å; L452-L715 HydrophobicContact CB-CD1 4.4Å; L452-L715 HydrophobicContact CB-CG 4.2Å; L452-L715 WeakPolarHBondContact CB-O 3.22Å; L452-L715 HydrophobicContact CD1-CD1 4.38Å; L452-L715 HydrophobicContact CD1-CD2 3.92Å; L452-L715 HydrophobicContact CD1-CG 4.02Å; L452-L715 PolarHBondContact N-O 3.49Å; L452-L715 VanDerWaalsContact N-O 3.13Å; L452-M716 HydrophobicContact CD2-SD 3.88Å |
| 453 | R | 93.2 | Very high | 91.6 | Very high | 85 Ų | 85 | 52.4 Ų | 52.4 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.7 | -50.5 | 179.8 | 179.8 | -174.4 | 166.6 | -156.4 | -9.1 | 111.4 | T443 L446 Y449 P450 M451 E457 | T443-R453 WeakPolarHBondContact O-CD 3.31Å; T443-R453 WeakPolarHBondContact O-CG 3.49Å; L446-R453 HydrophobicContact CB-CB 4.04Å; L446-R453 HydrophobicContact CB-CG 4.33Å; Y449-R453 WeakPolarHBondContact O-CB 3.4Å; Y449-R453 PolarHBondContact O-N 3.31Å; P450-R453 WeakPolarHBondContact O-CB 3.36Å; P450-R453 PolarHBondContact O-N 3.48Å; M451-R453 VanDerWaalsContact C-N 3.31Å; M451-R453 PolarHBondContact O-N 3Å; R453-E457 WeakPolarHBondContact O-CB 3.35Å; R453-E457 PolarHBondContact O-N 3.45Å |
| 454 | E | 92.9 | Very high | 91.8 | Very high | 128 Ų | 128 | 52.4 Ų | 52.4 | 60% | 0.598 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.4 | -46.3 | 179.7 | -73.8 | -175.9 | 178.6 | 0 | 0 | 111.3 | P450 M451 E457 R458 | P450-E454 WeakPolarHBondContact O-CG 3.4Å; P450-E454 PolarHBondContact O-N 3.38Å; M451-E454 PolarHBondContact O-N 3.36Å; E454-E457 PolarHBondContact O-N 3.02Å; E454-R458 VanDerWaalsContact O-CB 3.24Å; E454-R458 WeakPolarHBondContact O-CB 3.21Å; E454-R458 PolarHBondContact O-N 3.4Å |
| 455 | E | 93.1 | Very high | 92.1 | Very high | 39 Ų | 39 | 52.6 Ų | 52.6 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.5 | -38.5 | -176.9 | -169 | 60.7 | -172.8 | 0 | 0 | 112.1 | M451 L452 R458 I459 L706 C709 L715 | M451-E455 WeakPolarHBondContact O-CB 3.1Å; M451-E455 PolarHBondContact O-N 3.48Å; L452-E455 PolarHBondContact O-N 2.8Å; E455-R458 PolarHBondContact O-N 2.71Å; E455-R458 IonicContact OE1-CZ 2.66Å; E455-R458 IonicContact OE1-NE 2.76Å; E455-R458 PolarHBondContact OE1-NE 3.34Å; E455-R458 IonicContact OE1-NH2 2.99Å; E455-R458 PolarHBondContact OE1-NH2 2.74Å; E455-R458 IonicContact OE2-CZ 2.64Å; E455-R458 IonicContact OE2-NE 3.01Å; E455-R458 PolarHBondContact OE2-NE 2.89Å; E455-R458 IonicContact OE2-NH2 3.99Å; E455-I459 HydrophobicContact CG-CD1 3.99Å; E455-I459 WeakPolarHBondContact O-CB 3.39Å; E455-I459 VanDerWaalsContact O-CG1 3.26Å; E455-I459 WeakPolarHBondContact O-CG1 3.2Å; E455-I459 PolarHBondContact O-N 3.35Å; E455-L706 HydrophobicContact CB-CD2 4.32Å; E455-L706 HydrophobicContact CG-CD2 4Å; E455-C709 HydrophobicContact CG-CB 4.27Å; E455-C709 WeakPolarHBondContact OE1-CB 3.13Å; E455-C709 PolarHBondContact OE1-SG 2.98Å; E455-L715 HydrophobicContact CB-CD1 3.79Å; E455-L715 HydrophobicContact CG-CD1 4.13Å |
| 456 | M | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.6 | -46.2 | 173.8 | -176.2 | 173.6 | -74.3 | 0 | 0 | 111.9 | V333 F336 T443 L446 L452 R458 I459 V460 L702 L706 | V333-M456 HydrophobicContact CB-CE 4.25Å; V333-M456 HydrophobicContact CG2-CE 3.54Å; F336-M456 HydrophobicContact CB-CE 4.38Å; F336-M456 HydrophobicContact CB-SD 3.76Å; F336-M456 HydrophobicContact CD1-CE 4.46Å; F336-M456 HydrophobicContact CD1-CG 4.4Å; F336-M456 HydrophobicContact CD1-SD 3.58Å; F336-M456 VanDerWaalsContact CD1-SD 3.58Å; F336-M456 HydrophobicContact CD2-SD 3.67Å; F336-M456 HydrophobicContact CE1-CG 4.33Å; F336-M456 HydrophobicContact CE1-SD 4.07Å; F336-M456 HydrophobicContact CE2-SD 4.15Å; F336-M456 HydrophobicContact CG-CE 4.43Å; F336-M456 HydrophobicContact CG-SD 3.36Å; F336-M456 WeakPolarHBondContact CG-SD 3.38Å; F336-M456 HydrophobicContact CZ-CG 4.45Å; F336-M456 HydrophobicContact CZ-SD 4.33Å; T443-M456 HydrophobicContact CG2-CG 4.44Å; L446-M456 HydrophobicContact CD1-CE 4.22Å; L446-M456 HydrophobicContact CD1-SD 3.39Å; L446-M456 WeakPolarHBondContact CD1-SD 3.36Å; L452-M456 HydrophobicContact CD1-CE 4.41Å; L452-M456 WeakPolarHBondContact O-CB 3.5Å; L452-M456 PolarHBondContact O-N 3.05Å; M456-R458 VanDerWaalsContact C-N 3.3Å; M456-R458 PolarHBondContact O-N 3.05Å; M456-I459 PolarHBondContact O-N 3.3Å; M456-V460 WeakPolarHBondContact O-CG2 3.33Å; M456-V460 PolarHBondContact O-N 2.82Å; M456-V460 VanDerWaalsContact O-N 3.12Å; M456-L702 HydrophobicContact CE-CD2 4.14Å; M456-L702 HydrophobicContact CG-CD1 4.42Å; M456-L702 HydrophobicContact CG-CD2 4.15Å; M456-L702 HydrophobicContact SD-CD2 4.36Å; M456-L706 HydrophobicContact CE-CD1 3.65Å |
| 457 | E | 95.6 | Very high | 93 | Very high | 39 Ų | 39 | 51 Ų | 51 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 175.7 | -176.6 | 173.9 | 157.4 | 0 | 0 | 110.8 | V439 R440 T443 R453 E454 T461 | V439-E457 HydrophobicContact CG1-CG 4.4Å; R440-E457 HydrophobicContact CG-CG 4.41Å; R440-E457 WeakPolarHBondContact CG-OE1 2.97Å; R440-E457 IonicContact CZ-OE1 2.69Å; R440-E457 IonicContact NE-OE1 3.71Å; R440-E457 PolarHBondContact NE-OE1 3.45Å; T443-E457 HydrophobicContact CG2-CB 4.28Å; R453-E457 WeakPolarHBondContact O-CB 3.35Å; R453-E457 PolarHBondContact O-N 3.45Å; E454-E457 PolarHBondContact O-N 3.02Å; E457-T461 WeakPolarHBondContact O-CB 3.25Å; E457-T461 PolarHBondContact O-N 2.85Å; E457-T461 PolarHBondContact O-OG1 3.13Å |
| 458 | R | 95.4 | Very high | 93.5 | Very high | 126 Ų | 126 | 50.3 Ų | 50.3 | 48% | 0.475 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.4 | -51.1 | 179.4 | -170 | -167.7 | 71.5 | 70.7 | 1.1 | 111.8 | E454 E455 M456 Q462 | E454-R458 VanDerWaalsContact O-CB 3.24Å; E454-R458 WeakPolarHBondContact O-CB 3.21Å; E454-R458 PolarHBondContact O-N 3.4Å; E455-R458 PolarHBondContact O-N 2.71Å; E455-R458 IonicContact OE1-CZ 2.66Å; E455-R458 IonicContact OE1-NE 2.76Å; E455-R458 PolarHBondContact OE1-NE 3.34Å; E455-R458 IonicContact OE1-NH2 2.99Å; E455-R458 PolarHBondContact OE1-NH2 2.74Å; E455-R458 IonicContact OE2-CZ 2.64Å; E455-R458 IonicContact OE2-NE 3.01Å; E455-R458 PolarHBondContact OE2-NE 2.89Å; E455-R458 IonicContact OE2-NH2 3.99Å; M456-R458 VanDerWaalsContact C-N 3.3Å; M456-R458 PolarHBondContact O-N 3.05Å; R458-Q462 VanDerWaalsContact O-CB 3.29Å; R458-Q462 WeakPolarHBondContact O-CB 3.43Å; R458-Q462 PolarHBondContact O-N 2.88Å |
| 459 | I | 95.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -50.7 | -178.1 | -72.2 | 166.8 | 0 | 0 | 0 | 110.9 | E455 M456 Q462 H463 F697 L702 Q705 L706 | E455-I459 HydrophobicContact CG-CD1 3.99Å; E455-I459 WeakPolarHBondContact O-CB 3.39Å; E455-I459 VanDerWaalsContact O-CG1 3.26Å; E455-I459 WeakPolarHBondContact O-CG1 3.2Å; E455-I459 PolarHBondContact O-N 3.35Å; M456-I459 PolarHBondContact O-N 3.3Å; I459-Q462 PolarHBondContact O-N 3.38Å; I459-H463 PolarHBondContact O-N 3.47Å; I459-F697 HydrophobicContact CG2-CE1 3.89Å; I459-F697 HydrophobicContact CG2-CZ 3.69Å; I459-L702 HydrophobicContact CB-CD1 4.21Å; I459-L702 HydrophobicContact CG2-CD1 3.7Å; I459-Q705 HydrophobicContact CD1-CB 4.17Å; I459-Q705 HydrophobicContact CG2-CB 4.4Å; I459-L706 HydrophobicContact CD1-CD2 3.76Å; I459-L706 HydrophobicContact CD1-CG 4.14Å |
| 460 | V | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.3 | -40.2 | -176.9 | -178.9 | 0 | 0 | 0 | 0 | 111 | F336 V439 M456 Q462 H463 I464 T694 I698 L702 | F336-V460 HydrophobicContact CE1-CG2 4.11Å; F336-V460 HydrophobicContact CZ-CG2 4.28Å; V439-V460 HydrophobicContact CG1-CB 4.2Å; V439-V460 HydrophobicContact CG1-CG1 4.19Å; V439-V460 HydrophobicContact CG2-CB 4.47Å; V439-V460 HydrophobicContact CG2-CG1 3.59Å; M456-V460 WeakPolarHBondContact O-CG2 3.33Å; M456-V460 PolarHBondContact O-N 2.82Å; M456-V460 VanDerWaalsContact O-N 3.12Å; V460-Q462 VanDerWaalsContact C-N 3.33Å; V460-Q462 PolarHBondContact O-N 2.92Å; V460-H463 PolarHBondContact O-N 2.84Å; V460-I464 HydrophobicContact CG1-CD1 4.14Å; V460-I464 WeakPolarHBondContact O-CG1 3.18Å; V460-I464 PolarHBondContact O-N 3.45Å; V460-T694 HydrophobicContact CG1-CG2 4.3Å; V460-I698 HydrophobicContact CG1-CD1 3.92Å; V460-I698 HydrophobicContact CG1-CG1 4.11Å; V460-I698 HydrophobicContact CG2-CG1 4.15Å; V460-L702 HydrophobicContact CG2-CD1 3.86Å; V460-L702 HydrophobicContact CG2-CD2 4.02Å |
| 461 | T | 96.5 | Very high | 94.6 | Very high | 16 Ų | 16 | 57.2 Ų | 57.2 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 176.2 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | V436 E457 I464 R465 | V436-T461 HydrophobicContact CG1-CG2 4.33Å; V436-T461 HydrophobicContact CG2-CG2 4.22Å; E457-T461 WeakPolarHBondContact O-CB 3.25Å; E457-T461 PolarHBondContact O-N 2.85Å; E457-T461 PolarHBondContact O-OG1 3.13Å; T461-I464 PolarHBondContact O-N 2.74Å; T461-R465 WeakPolarHBondContact O-CG 3.33Å; T461-R465 PolarHBondContact O-N 2.93Å; T461-R465 VanDerWaalsContact O-N 3.09Å |
| 462 | Q | 95.4 | Very high | 94.9 | Very high | 83 Ų | 83 | 55.5 Ų | 55.5 | 39% | 0.388 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 175.5 | -175.2 | 57.8 | 41.7 | 0 | 0 | 111.2 | R458 I459 V460 I464 R465 D466 | R458-Q462 VanDerWaalsContact O-CB 3.29Å; R458-Q462 WeakPolarHBondContact O-CB 3.43Å; R458-Q462 PolarHBondContact O-N 2.88Å; I459-Q462 PolarHBondContact O-N 3.38Å; V460-Q462 VanDerWaalsContact C-N 3.33Å; V460-Q462 PolarHBondContact O-N 2.92Å; Q462-I464 VanDerWaalsContact C-N 3.34Å; Q462-I464 PolarHBondContact O-N 2.84Å; Q462-R465 WeakPolarHBondContact O-CB 3.32Å; Q462-R465 PolarHBondContact O-N 3.47Å; Q462-R465 VanDerWaalsContact O-N 3.15Å; Q462-D466 PolarHBondContact NE2-OD1 3.11Å; Q462-D466 PolarHBondContact O-N 3.28Å |
| 463 | H | 96.5 | Very high | 95.2 | Very high | 30 Ų | 30 | 57.4 Ų | 57.4 | 14% | 0.139 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58 | -45.6 | 175.2 | -176 | 74 | 0 | 0 | 0 | 111.8 | I459 V460 R465 D466 R467 N693 F697 | I459-H463 PolarHBondContact O-N 3.47Å; V460-H463 PolarHBondContact O-N 2.84Å; H463-R465 VanDerWaalsContact C-N 3.3Å; H463-R465 PolarHBondContact O-N 3.31Å; H463-D466 PolarHBondContact O-N 3.32Å; H463-D466 VanDerWaalsContact O-N 3.13Å; H463-R467 VanDerWaalsContact O-CG 3.32Å; H463-R467 WeakPolarHBondContact O-CG 3.3Å; H463-R467 PolarHBondContact O-N 3.46Å; H463-N693 PolarHBondContact NE2-OD1 3.46Å; H463-F697 HydrophobicContact CB-CD1 3.92Å; H463-F697 HydrophobicContact CB-CE1 3.73Å; H463-F697 HydrophobicContact CB-CG 4.41Å; H463-F697 HydrophobicContact CB-CZ 4.07Å; H463-F697 AromaticContact CD2-CD1 3.65Å; H463-F697 AromaticContact CD2-CG 3.6Å; H463-F697 AromaticContact CE1-CD2 3.64Å; H463-F697 AromaticContact CE1-CG 3.65Å; H463-F697 AromaticContact CG-CD1 3.64Å; H463-F697 AromaticContact CG-CD2 3.99Å; H463-F697 AromaticContact CG-CE1 3.92Å; H463-F697 AromaticContact CG-CG 3.68Å; H463-F697 AromaticContact ND1-CD2 3.63Å; H463-F697 AromaticContact ND1-CE2 3.91Å; H463-F697 AromaticContact ND1-CG 3.76Å; H463-F697 VanDerWaalsContact NE2-CB 3.34Å; H463-F697 WeakPolarHBondContact NE2-CB 3.35Å; H463-F697 AromaticContact NE2-CG 3.57Å |
| 464 | I | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.8 | -42.2 | 176.9 | -68.3 | 164.7 | 0 | 0 | 0 | 111.3 | I432 L435 V436 V439 V460 T461 Q462 R467 E468 T694 | I432-I464 HydrophobicContact CG2-CG2 3.98Å; L435-I464 HydrophobicContact CB-CD1 4.12Å; V436-I464 HydrophobicContact CG2-CD1 4.4Å; V436-I464 HydrophobicContact CG2-CG2 4.24Å; V439-I464 HydrophobicContact CG2-CD1 3.9Å; V460-I464 HydrophobicContact CG1-CD1 4.14Å; V460-I464 WeakPolarHBondContact O-CG1 3.18Å; V460-I464 PolarHBondContact O-N 3.45Å; T461-I464 PolarHBondContact O-N 2.74Å; Q462-I464 VanDerWaalsContact C-N 3.34Å; Q462-I464 PolarHBondContact O-N 2.84Å; I464-R467 PolarHBondContact O-N 3.33Å; I464-E468 PolarHBondContact O-N 2.92Å; I464-T694 HydrophobicContact CD1-CG2 4.2Å; I464-T694 HydrophobicContact CG1-CG2 3.83Å |
| 465 | R | 94.8 | Very high | 95.6 | Very high | 140 Ų | 140 | 50.8 Ų | 50.8 | 53% | 0.528 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.5 | -35.6 | 176.2 | -71.7 | 178.1 | 178.8 | -178.5 | -0.1 | 113 | T461 Q462 H463 R467 E468 | T461-R465 WeakPolarHBondContact O-CG 3.33Å; T461-R465 PolarHBondContact O-N 2.93Å; T461-R465 VanDerWaalsContact O-N 3.09Å; Q462-R465 WeakPolarHBondContact O-CB 3.32Å; Q462-R465 PolarHBondContact O-N 3.47Å; Q462-R465 VanDerWaalsContact O-N 3.15Å; H463-R465 VanDerWaalsContact C-N 3.3Å; H463-R465 PolarHBondContact O-N 3.31Å; R465-R467 VanDerWaalsContact C-N 3.31Å; R465-E468 WeakPolarHBondContact O-CB 3.34Å; R465-E468 PolarHBondContact O-N 3.45Å |
| 466 | D | 93.7 | Very high | 95.8 | Very high | 91 Ų | 91 | 51.7 Ų | 51.7 | 49% | 0.487 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.7 | -35.7 | 174.8 | -65 | -19.7 | 0 | 0 | 0 | 110.8 | Q462 H463 | Q462-D466 PolarHBondContact NE2-OD1 3.11Å; Q462-D466 PolarHBondContact O-N 3.28Å; H463-D466 PolarHBondContact O-N 3.32Å; H463-D466 VanDerWaalsContact O-N 3.13Å |
| 467 | R | 95.3 | Very high | 96 | Very high | 25 Ų | 25 | 55.7 Ų | 55.7 | 9% | 0.094 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.3 | -30.7 | 174.2 | -64 | -43.6 | -59.6 | -162.9 | -6.9 | 113.7 | H463 I464 R465 R470 T471 L689 N693 | H463-R467 VanDerWaalsContact O-CG 3.32Å; H463-R467 WeakPolarHBondContact O-CG 3.3Å; H463-R467 PolarHBondContact O-N 3.46Å; I464-R467 PolarHBondContact O-N 3.33Å; R465-R467 VanDerWaalsContact C-N 3.31Å; R467-R470 PolarHBondContact O-N 2.74Å; R467-T471 WeakPolarHBondContact O-CB 3.44Å; R467-T471 PolarHBondContact O-N 2.9Å; R467-T471 PolarHBondContact O-OG1 2.95Å; R467-L689 VanDerWaalsContact CZ-O 3.23Å; R467-L689 PolarHBondContact NE-O 2.99Å; R467-L689 PolarHBondContact NH2-O 3.38Å; R467-N693 WeakPolarHBondContact CD-OD1 3.4Å; R467-N693 VanDerWaalsContact CZ-OD1 3.28Å; R467-N693 PolarHBondContact NE-OD1 3.16Å; R467-N693 PolarHBondContact NH1-OD1 3.02Å |
| 468 | E | 94.7 | Very high | 96.1 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 19% | 0.192 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -52.5 | -56.7 | 174.9 | 167.4 | 178.4 | -177.3 | 0 | 0 | 112 | I432 I464 R465 R470 T471 K472 M690 | I432-E468 HydrophobicContact CD1-CB 3.48Å; I432-E468 VanDerWaalsContact CD1-CB 3.48Å; I432-E468 HydrophobicContact CD1-CG 3.31Å; I432-E468 HydrophobicContact CG1-CB 4.37Å; I464-E468 PolarHBondContact O-N 2.92Å; R465-E468 WeakPolarHBondContact O-CB 3.34Å; R465-E468 PolarHBondContact O-N 3.45Å; E468-R470 VanDerWaalsContact C-N 3.3Å; E468-R470 PolarHBondContact O-N 3.22Å; E468-T471 PolarHBondContact O-N 2.99Å; E468-T471 VanDerWaalsContact O-N 3.1Å; E468-K472 HydrophobicContact CG-CD 3.98Å; E468-K472 HydrophobicContact CG-CG 4.5Å; E468-K472 PolarHBondContact O-N 2.81Å; E468-K472 WeakPolarHBondContact OE1-CE 3.46Å; E468-K472 IonicContact OE1-NZ 2.74Å; E468-K472 PolarHBondContact OE1-NZ 2.88Å; E468-M690 HydrophobicContact CB-CE 4.37Å |
| 469 | N | 91.6 | Very high | 96.1 | Very high | 116 Ų | 116 | 49.5 Ų | 49.5 | 62% | 0.62 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -59.2 | -42.9 | -175.8 | -73 | -35.7 | 0 | 0 | 0 | 111.7 | G473 | N469-G473 PolarHBondContact O-N 3.05Å |
| 470 | R | 95.1 | Very high | 96.2 | Very high | 157 Ų | 157 | 52.6 Ų | 52.6 | 59% | 0.592 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -66 | -38.5 | 178.1 | -171.3 | 170.4 | 178.1 | 177.3 | 0.7 | 112.2 | R467 E468 Q474 | R467-R470 PolarHBondContact O-N 2.74Å; E468-R470 VanDerWaalsContact C-N 3.3Å; E468-R470 PolarHBondContact O-N 3.22Å; R470-Q474 PolarHBondContact O-N 3.41Å |
| 471 | T | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.3 | -44.1 | -179.2 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | V428 R467 E468 G473 Q474 V475 V686 M690 | V428-T471 HydrophobicContact CG1-CG2 4.14Å; V428-T471 HydrophobicContact CG2-CG2 4.37Å; R467-T471 WeakPolarHBondContact O-CB 3.44Å; R467-T471 PolarHBondContact O-N 2.9Å; R467-T471 PolarHBondContact O-OG1 2.95Å; E468-T471 PolarHBondContact O-N 2.99Å; E468-T471 VanDerWaalsContact O-N 3.1Å; T471-G473 VanDerWaalsContact C-N 3.35Å; T471-G473 PolarHBondContact O-N 3.27Å; T471-Q474 PolarHBondContact O-N 3.07Å; T471-V475 WeakPolarHBondContact O-CB 3.38Å; T471-V475 WeakPolarHBondContact O-CG2 3.29Å; T471-V475 PolarHBondContact O-N 3.43Å; T471-V686 HydrophobicContact CG2-CG2 4.05Å; T471-M690 HydrophobicContact CG2-CE 4.12Å |
| 472 | K | 97 | Very high | 96 | Very high | 44 Ų | 44 | 58.1 Ų | 58.1 | 19% | 0.191 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 172.7 | -75 | -179.9 | 172.5 | 174 | 0 | 111.6 | V428 D429 E468 Q474 V475 L476 | V428-K472 HydrophobicContact CB-CG 4.37Å; V428-K472 HydrophobicContact CG1-CG 4.06Å; D429-K472 WeakPolarHBondContact OD1-CE 3.23Å; D429-K472 IonicContact OD1-NZ 3.58Å; D429-K472 PolarHBondContact OD1-NZ 3.41Å; D429-K472 IonicContact OD2-NZ 3.78Å; E468-K472 HydrophobicContact CG-CD 3.98Å; E468-K472 HydrophobicContact CG-CG 4.5Å; E468-K472 PolarHBondContact O-N 2.81Å; E468-K472 WeakPolarHBondContact OE1-CE 3.46Å; E468-K472 IonicContact OE1-NZ 2.74Å; E468-K472 PolarHBondContact OE1-NZ 2.88Å; K472-Q474 PolarHBondContact O-N 2.83Å; K472-V475 PolarHBondContact O-N 2.9Å; K472-L476 VanDerWaalsContact O-CG 3.31Å; K472-L476 WeakPolarHBondContact O-CG 3.35Å; K472-L476 PolarHBondContact O-N 3.07Å |
| 473 | G | 96.8 | Very high | 96 | Very high | 40 Ų | 40 | 55.9 Ų | 55.9 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.5 | -45.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N469 T471 L476 L477 | N469-G473 PolarHBondContact O-N 3.05Å; T471-G473 VanDerWaalsContact C-N 3.35Å; T471-G473 PolarHBondContact O-N 3.27Å; G473-L476 PolarHBondContact O-N 3.47Å; G473-L477 WeakPolarHBondContact O-CB 3.22Å; G473-L477 PolarHBondContact O-N 2.94Å |
| 474 | Q | 97.8 | Very high | 95.9 | Very high | 74 Ų | 74 | 58.6 Ų | 58.6 | 35% | 0.346 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | 177.2 | -173.7 | 64 | 28 | 0 | 0 | 112.5 | R470 T471 K472 L477 L478 T685 L689 | R470-Q474 PolarHBondContact O-N 3.41Å; T471-Q474 PolarHBondContact O-N 3.07Å; K472-Q474 PolarHBondContact O-N 2.83Å; Q474-L477 WeakPolarHBondContact O-CB 3.33Å; Q474-L477 PolarHBondContact O-N 3.36Å; Q474-L478 WeakPolarHBondContact O-CG 3.17Å; Q474-L478 PolarHBondContact O-N 3.04Å; Q474-T685 HydrophobicContact CB-CG2 4.18Å; Q474-T685 HydrophobicContact CG-CG2 3.74Å; Q474-L689 HydrophobicContact CB-CD1 3.67Å; Q474-L689 HydrophobicContact CG-CD1 3.72Å |
| 475 | V | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 177.5 | 159.8 | 0 | 0 | 0 | 0 | 110.9 | C424 V428 T471 K472 L477 L478 I479 I682 T685 | C424-V475 HydrophobicContact CB-CG1 3.47Å; C424-V475 VanDerWaalsContact CB-CG1 3.47Å; V428-V475 HydrophobicContact CG2-CG2 4.06Å; T471-V475 WeakPolarHBondContact O-CB 3.38Å; T471-V475 WeakPolarHBondContact O-CG2 3.29Å; T471-V475 PolarHBondContact O-N 3.43Å; K472-V475 PolarHBondContact O-N 2.9Å; V475-L477 VanDerWaalsContact C-N 3.35Å; V475-L477 PolarHBondContact O-N 3.3Å; V475-L478 PolarHBondContact O-N 2.86Å; V475-I479 PolarHBondContact O-N 2.58Å; V475-I682 HydrophobicContact CB-CD1 4.29Å; V475-I682 HydrophobicContact CG1-CD1 3.82Å; V475-I682 HydrophobicContact CG2-CD1 4.03Å; V475-T685 HydrophobicContact CG2-CG2 4.13Å |
| 476 | L | 97.3 | Very high | 95.4 | Very high | 59 Ų | 59 | 60.3 Ų | 60.3 | 31% | 0.309 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 176.8 | -68.9 | 174.3 | 0 | 0 | 0 | 111.8 | K421 T425 K472 G473 L478 I479 D480 | K421-L476 HydrophobicContact CB-CD2 3.87Å; K421-L476 HydrophobicContact CD-CD2 4.08Å; K421-L476 HydrophobicContact CG-CD2 3.96Å; T425-L476 HydrophobicContact CG2-CD2 3.94Å; T425-L476 HydrophobicContact CG2-CG 4.3Å; K472-L476 VanDerWaalsContact O-CG 3.31Å; K472-L476 WeakPolarHBondContact O-CG 3.35Å; K472-L476 PolarHBondContact O-N 3.07Å; G473-L476 PolarHBondContact O-N 3.47Å; L476-L478 VanDerWaalsContact C-N 3.33Å; L476-L478 PolarHBondContact O-N 3.27Å; L476-I479 PolarHBondContact O-N 3.45Å; L476-D480 PolarHBondContact O-N 2.69Å |
| 477 | L | 97.5 | Very high | 95.3 | Very high | 83 Ų | 83 | 58.8 Ų | 58.8 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 174.8 | 177.6 | 62.6 | 0 | 0 | 0 | 112.1 | G473 Q474 V475 I479 D480 I481 | G473-L477 WeakPolarHBondContact O-CB 3.22Å; G473-L477 PolarHBondContact O-N 2.94Å; Q474-L477 WeakPolarHBondContact O-CB 3.33Å; Q474-L477 PolarHBondContact O-N 3.36Å; V475-L477 VanDerWaalsContact C-N 3.35Å; V475-L477 PolarHBondContact O-N 3.3Å; L477-I479 VanDerWaalsContact C-N 3.28Å; L477-I479 PolarHBondContact O-N 3.21Å; L477-D480 PolarHBondContact O-N 2.79Å; L477-D480 VanDerWaalsContact O-N 3.16Å; L477-I481 HydrophobicContact CG-CD1 4.26Å; L477-I481 VanDerWaalsContact O-CG1 3.31Å; L477-I481 WeakPolarHBondContact O-CG1 3.41Å; L477-I481 PolarHBondContact O-N 3.48Å |
| 478 | L | 97.3 | Very high | 95 | Very high | 34 Ų | 34 | 60.6 Ų | 60.6 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.2 | -40 | 175.9 | -71.3 | 171.3 | 0 | 0 | 0 | 111.7 | Q474 V475 L476 I481 E482 I682 T685 | Q474-L478 WeakPolarHBondContact O-CG 3.17Å; Q474-L478 PolarHBondContact O-N 3.04Å; V475-L478 PolarHBondContact O-N 2.86Å; L476-L478 VanDerWaalsContact C-N 3.33Å; L476-L478 PolarHBondContact O-N 3.27Å; L478-I481 PolarHBondContact O-N 3.39Å; L478-E482 PolarHBondContact O-N 3.31Å; L478-I682 HydrophobicContact CD1-CD1 4.28Å; L478-T685 HydrophobicContact CD1-CG2 4.27Å; L478-T685 VanDerWaalsContact CD1-OG1 3.3Å; L478-T685 WeakPolarHBondContact CD1-OG1 3.36Å |
| 479 | I | 96.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.7 | -36.2 | 175.5 | -54.3 | -53.8 | 0 | 0 | 0 | 111.4 | I417 I420 K421 V475 L476 L477 I481 E482 L483 V678 | I417-I479 HydrophobicContact CG2-CG2 3.88Å; I420-I479 HydrophobicContact CG2-CD1 3.84Å; K421-I479 HydrophobicContact CG-CB 4.15Å; K421-I479 HydrophobicContact CG-CG2 3.71Å; V475-I479 PolarHBondContact O-N 2.58Å; L476-I479 PolarHBondContact O-N 3.45Å; L477-I479 VanDerWaalsContact C-N 3.28Å; L477-I479 PolarHBondContact O-N 3.21Å; I479-I481 VanDerWaalsContact C-N 3.28Å; I479-I481 PolarHBondContact O-N 2.7Å; I479-E482 WeakPolarHBondContact O-CB 3.12Å; I479-E482 PolarHBondContact O-N 2.89Å; I479-L483 WeakPolarHBondContact O-CG 3.33Å; I479-L483 PolarHBondContact O-N 3.32Å; I479-V678 HydrophobicContact CD1-CG1 4.43Å; I479-V678 HydrophobicContact CD1-CG2 3.76Å |
| 480 | D | 96.5 | Very high | 94.8 | Very high | 70 Ų | 70 | 62.4 Ų | 62.4 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.6 | -31.6 | 174.7 | -71.2 | -26.7 | 0 | 0 | 0 | 112.4 | K421 L476 L477 L483 S484 | K421-D480 WeakPolarHBondContact CE-OD1 3.35Å; K421-D480 IonicContact NZ-OD1 3.42Å; K421-D480 PolarHBondContact NZ-OD1 2.84Å; K421-D480 IonicContact NZ-OD2 3.02Å; L476-D480 PolarHBondContact O-N 2.69Å; L477-D480 PolarHBondContact O-N 2.79Å; L477-D480 VanDerWaalsContact O-N 3.16Å; D480-L483 PolarHBondContact O-N 3.04Å; D480-S484 PolarHBondContact O-N 2.96Å |
| 481 | I | 96.7 | Very high | 94.5 | Very high | 91 Ų | 91 | 64.1 Ų | 64.1 | 47% | 0.467 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 171.5 | -69.7 | 165.1 | 0 | 0 | 0 | 110.3 | L477 L478 I479 L483 S484 | L477-I481 HydrophobicContact CG-CD1 4.26Å; L477-I481 VanDerWaalsContact O-CG1 3.31Å; L477-I481 WeakPolarHBondContact O-CG1 3.41Å; L477-I481 PolarHBondContact O-N 3.48Å; L478-I481 PolarHBondContact O-N 3.39Å; I479-I481 VanDerWaalsContact C-N 3.28Å; I479-I481 PolarHBondContact O-N 2.7Å; I481-L483 PolarHBondContact O-N 2.88Å; I481-S484 WeakPolarHBondContact O-CB 3.4Å; I481-S484 PolarHBondContact O-N 3.36Å; I481-S484 PolarHBondContact O-OG 2.89Å |
| 482 | E | 94.7 | Very high | 94 | Very high | 40 Ų | 40 | 68.3 Ų | 68.3 | 19% | 0.187 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.9 | -31.2 | 175.5 | -66.5 | -65.7 | 162 | 0 | 0 | 112.5 | I417 L478 I479 V674 | I417-E482 HydrophobicContact CD1-CB 4.45Å; I417-E482 HydrophobicContact CG2-CB 3.94Å; L478-E482 PolarHBondContact O-N 3.31Å; I479-E482 WeakPolarHBondContact O-CB 3.12Å; I479-E482 PolarHBondContact O-N 2.89Å; E482-V674 HydrophobicContact CG-CG1 4.45Å |
| 483 | L | 94.2 | Very high | 93.7 | Very high | 36 Ų | 36 | 67 Ų | 67 | 19% | 0.188 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -75.2 | -24.2 | 174.1 | -72.5 | 170.6 | 0 | 0 | 0 | 113.6 | K414 I417 I479 D480 I481 | K414-L483 HydrophobicContact CB-CD2 4Å; K414-L483 WeakPolarHBondContact CE-O 3.44Å; K414-L483 HydrophobicContact CG-CD2 4.2Å; K414-L483 WeakPolarHBondContact O-CD2 3.4Å; I417-L483 HydrophobicContact CB-CD2 3.66Å; I417-L483 HydrophobicContact CB-CG 4.28Å; I417-L483 HydrophobicContact CG2-CD2 3.7Å; I417-L483 HydrophobicContact CG2-CG 3.73Å; I479-L483 WeakPolarHBondContact O-CG 3.33Å; I479-L483 PolarHBondContact O-N 3.32Å; D480-L483 PolarHBondContact O-N 3.04Å; I481-L483 PolarHBondContact O-N 2.88Å |
| 484 | S | 93.9 | Very high | 93 | Very high | 87 Ų | 87 | 66.2 Ų | 66.2 | 61% | 0.608 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -74.8 | -35.4 | -171.3 | 72.8 | 0 | 0 | 0 | 0 | 113.2 | D480 I481 | D480-S484 PolarHBondContact O-N 2.96Å; I481-S484 WeakPolarHBondContact O-CB 3.4Å; I481-S484 PolarHBondContact O-N 3.36Å; I481-S484 PolarHBondContact O-OG 2.89Å |
| 485 | Y | 92.3 | Very high | 92 | Very high | 149 Ų | 149 | 63.7 Ų | 63.7 | 58% | 0.584 | 33% | 0.331 | S | S | * | . | trans | -148 | 130.9 | -176.3 | 177.5 | -106 | 0 | 0 | 0 | 111.4 | N487 | Y485-N487 HydrophobicContact CD1-CB 4.29Å; Y485-N487 HydrophobicContact CE1-CB 3.79Å | ||
| 486 | M | 90.3 | Very high | 90.8 | Very high | 27 Ų | 27 | 67.3 Ų | 67.3 | 13% | 0.133 | 35% | 0.347 | C | S | . | . | trans | -100.2 | 110.6 | 176.4 | -63.5 | -175.1 | -48.6 | 0 | 0 | 111 | F409 E410 V413 T488 Y670 | F409-M486 HydrophobicContact CD1-CE 4.07Å; F409-M486 HydrophobicContact CE1-CE 3.94Å; F409-M486 HydrophobicContact CE1-SD 4.08Å; E410-M486 VanDerWaalsContact CA-CE 3.43Å; E410-M486 HydrophobicContact CB-CE 3.32Å; E410-M486 HydrophobicContact CB-SD 4.16Å; E410-M486 HydrophobicContact CG-CE 3.34Å; E410-M486 HydrophobicContact CG-SD 3.98Å; V413-M486 HydrophobicContact CB-SD 3.93Å; V413-M486 HydrophobicContact CG1-CG 4.49Å; V413-M486 HydrophobicContact CG1-SD 3.82Å; M486-T488 PolarHBondContact O-N 2.85Å; M486-T488 VanDerWaalsContact O-N 3.12Å; M486-Y670 VanDerWaalsContact CA-OH 3.28Å; M486-Y670 WeakPolarHBondContact CA-OH 3.42Å; M486-Y670 HydrophobicContact CB-CE2 4.4Å; M486-Y670 HydrophobicContact CG-CE1 4.42Å | ||
| 487 | N | 91.2 | Very high | 89.3 | Confident | 59 Ų | 59 | 67.6 Ų | 67.6 | 32% | 0.316 | 36% | 0.358 | S | S | . | . | trans | -84.4 | 88.1 | -178.8 | -174.5 | 11.1 | 0 | 0 | 0 | 111.9 | Y485 N489 H490 Y670 | Y485-N487 HydrophobicContact CD1-CB 4.29Å; Y485-N487 HydrophobicContact CE1-CB 3.79Å; N487-N489 PolarHBondContact O-N 3.43Å; N487-N489 WeakPolarHBondContact OD1-CB 3.26Å; N487-N489 PolarHBondContact OD1-N 3.3Å; N487-N489 VanDerWaalsContact OD1-N 3.09Å; N487-H490 WeakPolarHBondContact O-CB 3.37Å; N487-H490 PolarHBondContact O-N 3.22Å; N487-Y670 PolarHBondContact N-OH 3.12Å; N487-Y670 VanDerWaalsContact N-OH 3.14Å | ||
| 488 | T | 89.6 | Confident | 88.1 | Confident | 64 Ų | 64 | 67.7 Ų | 67.7 | 39% | 0.393 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -2.4 | 175.7 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | F409 M486 F493 | F409-T488 HydrophobicContact CE1-CG2 4.21Å; M486-T488 PolarHBondContact O-N 2.85Å; M486-T488 VanDerWaalsContact O-N 3.12Å; T488-F493 HydrophobicContact CG2-CE1 4.04Å; T488-F493 HydrophobicContact CG2-CZ 4.47Å; T488-F493 VanDerWaalsContact O-CD1 3.3Å; T488-F493 WeakPolarHBondContact O-CD1 3.11Å |
| 489 | N | 90.2 | Very high | 86.7 | Confident | 133 Ų | 133 | 66.1 Ų | 66.1 | 71% | 0.711 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 4.7 | 173.8 | -62.4 | -30.5 | 0 | 0 | 0 | 112.7 | N487 | N487-N489 PolarHBondContact O-N 3.43Å; N487-N489 WeakPolarHBondContact OD1-CB 3.26Å; N487-N489 PolarHBondContact OD1-N 3.3Å; N487-N489 VanDerWaalsContact OD1-N 3.09Å |
| 490 | H | 91.4 | Very high | 85.2 | Confident | 62 Ų | 62 | 69.6 Ų | 69.6 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | trans | -61.2 | 136.3 | 177.8 | -171.6 | -73.6 | 0 | 0 | 0 | 111.1 | N487 D492 F493 I673 | N487-H490 WeakPolarHBondContact O-CB 3.37Å; N487-H490 PolarHBondContact O-N 3.22Å; H490-D492 VanDerWaalsContact C-N 3.34Å; H490-D492 IonicContact CE1-OD2 2.77Å; H490-D492 PolarHBondContact ND1-N 2.91Å; H490-D492 VanDerWaalsContact ND1-N 3.1Å; H490-D492 PolarHBondContact O-N 3.19Å; H490-F493 HydrophobicContact CB-CB 4.24Å; H490-F493 VanDerWaalsContact O-CB 3.26Å; H490-F493 WeakPolarHBondContact O-CB 3.34Å; H490-F493 PolarHBondContact O-N 3.19Å; H490-I673 HydrophobicContact CB-CD1 4.24Å | ||
| 491 | E | 88.8 | Confident | 83.6 | Confident | 193 Ų | 193 | 71.3 Ų | 71.3 | 90% | 0.902 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -40.6 | -173.3 | -63 | -178.9 | 174.6 | 0 | 0 | 113.1 | F493 | E491-F493 PolarHBondContact O-N 3.37Š|
| 492 | D | 86.3 | Confident | 82 | Confident | 87 Ų | 87 | 73.3 Ų | 73.3 | 47% | 0.465 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -3.7 | 176.7 | -65.8 | -20.1 | 0 | 0 | 0 | 113.7 | H490 I673 K676 | H490-D492 VanDerWaalsContact C-N 3.34Å; H490-D492 IonicContact CE1-OD2 2.77Å; H490-D492 PolarHBondContact ND1-N 2.91Å; H490-D492 VanDerWaalsContact ND1-N 3.1Å; H490-D492 PolarHBondContact O-N 3.19Å; D492-I673 HydrophobicContact CB-CD1 4.15Å; D492-I673 HydrophobicContact CB-CG1 3.97Å; D492-K676 IonicContact OD2-NZ 2.64Å; D492-K676 PolarHBondContact OD2-NZ 3.21Å; D492-K676 VanDerWaalsContact OD2-NZ 3.09Å |
| 493 | F | 90.1 | Very high | 80.3 | Confident | 18 Ų | 18 | 73 Ų | 73 | 8% | 0.079 | 37% | 0.374 | C | S | . | . | trans | -84.9 | 121.2 | -179.7 | -174.9 | -117.2 | 0 | 0 | 0 | 110.7 | F409 T488 H490 E491 G495 L666 Y670 I673 | F409-F493 HydrophobicContact CE1-CZ 4.49Å; F409-F493 HydrophobicContact CE2-CE2 4.36Å; F409-F493 HydrophobicContact CE2-CZ 4.33Å; F409-F493 HydrophobicContact CZ-CE2 4.06Å; F409-F493 AromaticContact CZ-CZ 3.89Å; F409-F493 HydrophobicContact CZ-CZ 3.89Å; T488-F493 HydrophobicContact CG2-CE1 4.04Å; T488-F493 HydrophobicContact CG2-CZ 4.47Å; T488-F493 VanDerWaalsContact O-CD1 3.3Å; T488-F493 WeakPolarHBondContact O-CD1 3.11Å; H490-F493 HydrophobicContact CB-CB 4.24Å; H490-F493 VanDerWaalsContact O-CB 3.26Å; H490-F493 WeakPolarHBondContact O-CB 3.34Å; H490-F493 PolarHBondContact O-N 3.19Å; E491-F493 PolarHBondContact O-N 3.37Å; F493-G495 PolarHBondContact O-N 3.29Å; F493-G495 VanDerWaalsContact O-N 3.12Å; F493-L666 HydrophobicContact CE1-CD2 4.28Å; F493-L666 HydrophobicContact CE2-CB 4.44Å; F493-L666 HydrophobicContact CE2-CD2 4.17Å; F493-L666 HydrophobicContact CZ-CB 4.3Å; F493-L666 HydrophobicContact CZ-CD2 3.65Å; F493-Y670 HydrophobicContact CD2-CD2 4.04Å; F493-Y670 HydrophobicContact CE2-CD2 4.11Å; F493-I673 HydrophobicContact CB-CD1 3.83Å; F493-I673 HydrophobicContact CD2-CD1 4.41Å | ||
| 494 | I | 82.4 | Confident | 78.1 | Confident | 23 Ų | 23 | 75.6 Ų | 75.6 | 12% | 0.118 | 39% | 0.388 | C | S | . | . | trans | -61.4 | -27 | -173 | 62.8 | 177.4 | 0 | 0 | 0 | 114 | N498 A499 N665 L666 S669 | I494-N498 HydrophobicContact CB-CB 4.44Å; I494-N498 VanDerWaalsContact O-CB 3.28Å; I494-N498 WeakPolarHBondContact O-CB 3.48Å; I494-N498 PolarHBondContact O-ND2 2.75Å; I494-A499 HydrophobicContact CD1-CB 3.82Å; I494-A499 HydrophobicContact CG1-CB 4.41Å; I494-N665 HydrophobicContact CD1-CB 4.33Å; I494-L666 HydrophobicContact CD1-CD2 4.47Å; I494-L666 HydrophobicContact CG1-CD2 4.15Å; I494-S669 PolarHBondContact N-OG 3.38Å | ||
| 495 | G | 78.4 | Confident | 76 | Confident | 20 Ų | 20 | 76.7 Ų | 76.7 | 21% | 0.206 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | 71 | 163.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F493 A497 N498 A499 | F493-G495 PolarHBondContact O-N 3.29Å; F493-G495 VanDerWaalsContact O-N 3.12Å; G495-A497 VanDerWaalsContact C-N 3.35Å; G495-A497 PolarHBondContact O-N 2.88Å; G495-N498 PolarHBondContact O-N 2.93Å; G495-A499 WeakPolarHBondContact O-CB 3.36Å; G495-A499 PolarHBondContact O-N 3.39Å; G495-A499 VanDerWaalsContact O-N 3.14Å |
| 496 | F | 71.4 | Confident | 73.7 | Confident | 76 Ų | 76 | 76.8 Ų | 76.8 | 33% | 0.333 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | -174.3 | -81.4 | -95.6 | 0 | 0 | 0 | 113.7 | Q500 L666 | F496-Q500 PolarHBondContact O-N 3.29Å; F496-L666 HydrophobicContact CD1-CD1 3.51Å; F496-L666 HydrophobicContact CD2-CD1 4.15Å; F496-L666 HydrophobicContact CE1-CD1 3.34Å; F496-L666 HydrophobicContact CE2-CD1 3.99Å; F496-L666 HydrophobicContact CG-CD1 3.92Å; F496-L666 HydrophobicContact CZ-CD1 3.59Å |
| 497 | A | 66.6 | Low | 71.3 | Confident | 66 Ų | 66 | 81.8 Ų | 81.8 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.7 | -44.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G495 Q500 Q501 | G495-A497 VanDerWaalsContact C-N 3.35Å; G495-A497 PolarHBondContact O-N 2.88Å; A497-Q500 PolarHBondContact O-N 3.19Å; A497-Q501 WeakPolarHBondContact O-CG 3.33Å; A497-Q501 PolarHBondContact O-N 2.85Å |
| 498 | N | 71.2 | Confident | 68.7 | Low | 85 Ų | 85 | 87.1 Ų | 87.1 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -77 | -30.2 | -179.9 | -59.6 | -39.3 | 0 | 0 | 0 | 112 | I494 G495 Q500 Q501 R502 | I494-N498 HydrophobicContact CB-CB 4.44Å; I494-N498 VanDerWaalsContact O-CB 3.28Å; I494-N498 WeakPolarHBondContact O-CB 3.48Å; I494-N498 PolarHBondContact O-ND2 2.75Å; G495-N498 PolarHBondContact O-N 2.93Å; N498-Q500 VanDerWaalsContact C-N 3.3Å; N498-Q500 PolarHBondContact O-N 2.85Å; N498-Q501 PolarHBondContact O-N 3.31Å; N498-R502 PolarHBondContact O-N 2.95Å |
| 499 | A | 68.9 | Low | 66.2 | Low | 0 Ų | 0 | 92.3 Ų | 92.3 | 0% | 0 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I494 G495 T662 N665 L666 | I494-A499 HydrophobicContact CD1-CB 3.82Å; I494-A499 HydrophobicContact CG1-CB 4.41Å; G495-A499 WeakPolarHBondContact O-CB 3.36Å; G495-A499 PolarHBondContact O-N 3.39Å; G495-A499 VanDerWaalsContact O-N 3.14Å; A499-T662 HydrophobicContact CB-CG2 4.18Å; A499-N665 HydrophobicContact CB-CB 4.31Å; A499-L666 HydrophobicContact CB-CD2 3.79Å; A499-L666 HydrophobicContact CB-CG 3.96Å |
| 500 | Q | 64.1 | Low | 63.7 | Low | 75 Ų | 75 | 95.6 Ų | 95.6 | 35% | 0.35 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -72.4 | -32.6 | 174.6 | -71.4 | -178.9 | -10.1 | 0 | 0 | 113.3 | F496 A497 N498 T662 | F496-Q500 PolarHBondContact O-N 3.29Å; A497-Q500 PolarHBondContact O-N 3.19Å; N498-Q500 VanDerWaalsContact C-N 3.3Å; N498-Q500 PolarHBondContact O-N 2.85Å; Q500-T662 HydrophobicContact CG-CG2 3.89Å |
| 501 | Q | 62.5 | Low | 61 | Low | 107 Ų | 107 | 100.3 Ų | 100.3 | 50% | 0.5 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73 | -32.6 | 177 | -74.8 | -179.5 | -4.5 | 0 | 0 | 113.3 | A497 N498 I503 N504 Q505 | A497-Q501 WeakPolarHBondContact O-CG 3.33Å; A497-Q501 PolarHBondContact O-N 2.85Å; N498-Q501 PolarHBondContact O-N 3.31Å; Q501-I503 PolarHBondContact O-N 2.97Å; Q501-N504 WeakPolarHBondContact O-CA 3.47Å; Q501-N504 WeakPolarHBondContact O-CB 3.5Å; Q501-N504 PolarHBondContact O-N 2.73Å; Q501-Q505 PolarHBondContact O-N 2.75Å |
| 502 | R | 63.7 | Low | 58.2 | Low | 133 Ų | 133 | 96.3 Ų | 96.3 | 50% | 0.502 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59 | -35.4 | 174.5 | -80.7 | -174.4 | 179.2 | -174 | 1.4 | 112.2 | N498 N504 Q505 M506 | N498-R502 PolarHBondContact O-N 2.95Å; R502-N504 VanDerWaalsContact C-N 3.32Å; R502-N504 PolarHBondContact O-N 2.89Å; R502-Q505 PolarHBondContact O-N 3.18Å; R502-M506 PolarHBondContact O-N 3.22Å |
| 503 | I | 58 | Low | 56 | Low | 34 Ų | 34 | 95.7 Ų | 95.7 | 17% | 0.174 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 172.8 | -59.3 | 170.4 | 0 | 0 | 0 | 110.9 | Q501 N507 R658 E661 | Q501-I503 PolarHBondContact O-N 2.97Å; I503-N507 PolarHBondContact O-N 2.84Å; I503-R658 HydrophobicContact CD1-CG 4.34Å; I503-E661 HydrophobicContact CD1-CB 4.34Å; I503-E661 HydrophobicContact CD1-CG 4.23Å; I503-E661 HydrophobicContact CG1-CG 4.25Å |
| 504 | N | 49.7 | Very low | 53.4 | Low | 89 Ų | 89 | 102.4 Ų | 102.4 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72.3 | -28.5 | 177.7 | -70.7 | -15.9 | 0 | 0 | 0 | 113.2 | Q501 R502 | Q501-N504 WeakPolarHBondContact O-CA 3.47Å; Q501-N504 WeakPolarHBondContact O-CB 3.5Å; Q501-N504 PolarHBondContact O-N 2.73Å; R502-N504 VanDerWaalsContact C-N 3.32Å; R502-N504 PolarHBondContact O-N 2.89Å |
| 505 | Q | 48.1 | Very low | 51.5 | Low | 110 Ų | 110 | 108 Ų | 108 | 51% | 0.514 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -79.4 | -32.5 | 175 | -73.8 | -177.4 | -2.9 | 0 | 0 | 112.8 | Q501 R502 N507 K508 K509 | Q501-Q505 PolarHBondContact O-N 2.75Å; R502-Q505 PolarHBondContact O-N 3.18Å; Q505-N507 PolarHBondContact O-N 3.49Å; Q505-K508 CarbonylContact O-C 3.58Å; Q505-K508 WeakPolarHBondContact O-CA 3.5Å; Q505-K508 PolarHBondContact O-N 2.85Å; Q505-K509 WeakPolarHBondContact O-CB 3.38Å; Q505-K509 PolarHBondContact O-N 2.65Å |
| 506 | M | 44.3 | Very low | 49.2 | Very low | 151 Ų | 151 | 113.8 Ų | 113.8 | 74% | 0.744 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.1 | -31.5 | 174.1 | -132.9 | 163.3 | -179.9 | 0 | 0 | 111.7 | R502 K508 | R502-M506 PolarHBondContact O-N 3.22Å; M506-K508 VanDerWaalsContact C-N 3.33Å |
| 507 | N | 40.1 | Very low | 47.7 | Very low | 132 Ų | 132 | 119.5 Ų | 119.5 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -18.5 | 170.7 | -75.4 | -21.8 | 0 | 0 | 0 | 114.3 | I503 Q505 | I503-N507 PolarHBondContact O-N 2.84Å; Q505-N507 PolarHBondContact O-N 3.49Å |
| 508 | K | 35.9 | Very low | 47.2 | Very low | 172 Ų | 172 | 119.7 Ų | 119.7 | 75% | 0.748 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -21.5 | 178.3 | -77.7 | -176.7 | 174.9 | -179.6 | 0 | 114.1 | Q505 M506 K510 M511 | Q505-K508 CarbonylContact O-C 3.58Å; Q505-K508 WeakPolarHBondContact O-CA 3.5Å; Q505-K508 PolarHBondContact O-N 2.85Å; M506-K508 VanDerWaalsContact C-N 3.33Å; K508-K510 PolarHBondContact O-N 3.46Å; K508-K510 VanDerWaalsContact O-N 3.09Å; K508-M511 PolarHBondContact O-N 2.85Å |
| 509 | K | 37.1 | Very low | 46.6 | Very low | 172 Ų | 172 | 123.2 Ų | 123.2 | 75% | 0.748 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 10.1 | -178.3 | -99.6 | -174 | 173.9 | -173 | 0 | 115.7 | Q505 M511 | Q505-K509 WeakPolarHBondContact O-CB 3.38Å; Q505-K509 PolarHBondContact O-N 2.65Å; K509-M511 PolarHBondContact O-N 3.23Å |
| 510 | K | 38.5 | Very low | 47.1 | Very low | 202 Ų | 202 | 126.9 Ų | 126.9 | 88% | 0.878 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -2.6 | 163 | -84.2 | -174.7 | 175.6 | 177.8 | 0 | 113.4 | K508 | K508-K510 PolarHBondContact O-N 3.46Å; K508-K510 VanDerWaalsContact O-N 3.09Å |
| 511 | M | 34 | Very low | 47.9 | Very low | 162 Ų | 162 | 125 Ų | 125 | 80% | 0.798 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -138.2 | 125.7 | 179.7 | -66 | -179.9 | 74.1 | 0 | 0 | 111.1 | K508 K509 | K508-M511 PolarHBondContact O-N 2.85Å; K509-M511 PolarHBondContact O-N 3.23Å |
| 512 | A | 30 | Very low | 49.1 | Very low | 109 Ų | 109 | 123.2 Ų | 123.2 | 90% | 0.901 | 63% | 0.628 | S | S | * | * | trans | 80 | 108.8 | 170 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 513 | G | 40 | Very low | 50.5 | Low | 73 Ų | 73 | 121.2 Ų | 121.2 | 75% | 0.753 | 62% | 0.622 | S | S | * | * | trans | -102.9 | 151.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 514 | N | 36 | Very low | 52.2 | Low | 160 Ų | 160 | 120.1 Ų | 120.1 | 86% | 0.856 | 62% | 0.619 | S | S | * | * | trans | -152.7 | 149.6 | 159 | -133.5 | 34.3 | 0 | 0 | 0 | 111.7 | ||||
| 515 | Q | 42 | Very low | 54.3 | Low | 141 Ų | 141 | 120.9 Ų | 120.9 | 66% | 0.659 | 62% | 0.616 | S | S | * | * | trans | -71.2 | 133.3 | -168.2 | -72.6 | 165.9 | -49.1 | 0 | 0 | 114.4 | ||||
| 516 | D | 31.4 | Very low | 56.4 | Low | 141 Ų | 141 | 115.7 Ų | 115.7 | 75% | 0.754 | 59% | 0.591 | S | S | * | * | trans | -118.6 | 157.5 | 154.8 | -83.8 | -31.5 | 0 | 0 | 0 | 109.3 | I518 | D516-I518 PolarHBondContact O-N 2.78Å; D516-I518 VanDerWaalsContact O-N 3.15Å | ||
| 517 | E | 39.7 | Very low | 58.7 | Low | 196 Ų | 196 | 108.8 Ų | 108.8 | 92% | 0.916 | 56% | 0.558 | S | S | * | * | trans | -41.2 | 111.8 | -169.3 | -73 | 178.4 | 142.8 | 0 | 0 | 115.4 | M519 | E517-M519 PolarHBondContact O-N 2.73Å; E517-M519 VanDerWaalsContact O-N 3.09Å | ||
| 518 | I | 55.3 | Low | 61.1 | Low | 69 Ų | 69 | 102.5 Ų | 102.5 | 35% | 0.354 | 52% | 0.524 | S | S | . | . | trans | -78.1 | 99 | -171.8 | -59 | 178.1 | 0 | 0 | 0 | 110.3 | D516 T546 | D516-I518 PolarHBondContact O-N 2.78Å; D516-I518 VanDerWaalsContact O-N 3.15Å; I518-T546 HydrophobicContact CG2-CG2 3.34Å; I518-T546 VanDerWaalsContact CG2-OG1 3.31Å; I518-T546 WeakPolarHBondContact CG2-OG1 3.46Å | ||
| 519 | M | 59.9 | Low | 63.2 | Low | 159 Ų | 159 | 97 Ų | 97 | 78% | 0.783 | 50% | 0.503 | S | S | * | . | trans | -65.7 | 129.9 | 169.3 | -79.1 | -163.4 | -96.9 | 0 | 0 | 111.4 | E517 | E517-M519 PolarHBondContact O-N 2.73Å; E517-M519 VanDerWaalsContact O-N 3.09Å | ||
| 520 | V | 78 | Confident | 65 | Low | 78 Ų | 78 | 89.9 Ų | 89.9 | 47% | 0.473 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 124.2 | 177.6 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | K523 V544 T546 | V520-K523 HydrophobicContact CG1-CD 4.35Å; V520-K523 HydrophobicContact CG1-CG 3.74Å; V520-V544 HydrophobicContact CG1-CG1 3.85Å; V520-V544 HydrophobicContact CG2-CG1 4.16Å; V520-T546 HydrophobicContact CG2-CG2 4.27Å |
| 521 | I | 80.8 | Confident | 66.2 | Low | 35 Ų | 35 | 81 Ų | 81 | 18% | 0.179 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -38 | -177.4 | -64.5 | 178.9 | 0 | 0 | 0 | 112.2 | L545 A547 R622 A623 | I521-L545 HydrophobicContact CB-CG 4.33Å; I521-L545 HydrophobicContact CG2-CD2 4.4Å; I521-L545 PolarHBondContact N-O 2.93Å; I521-A547 HydrophobicContact CD1-CB 4.09Å; I521-R622 HydrophobicContact CD1-CB 4.37Å; I521-R622 HydrophobicContact CG2-CB 3.9Å; I521-R622 PolarHBondContact O-NH2 2.89Å; I521-A623 HydrophobicContact CD1-CB 3.71Å |
| 522 | R | 88.9 | Confident | 67.3 | Low | 70 Ų | 70 | 74.7 Ų | 74.7 | 26% | 0.264 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 146.7 | 177 | -174.4 | 171.9 | -173.9 | 115 | 3.5 | 110.7 | L545 A615 W616 S619 | R522-L545 PolarHBondContact N-O 3.2Å; R522-L545 PolarHBondContact O-N 2.64Å; R522-A615 VanDerWaalsContact NH1-CB 3.32Å; R522-A615 PolarHBondContact NH1-O 2.91Å; R522-W616 HydrophobicContact CB-CZ3 4.35Å; R522-W616 HydrophobicContact CG-CE3 4.41Å; R522-W616 HydrophobicContact CG-CH2 4.11Å; R522-W616 HydrophobicContact CG-CZ2 4.36Å; R522-W616 HydrophobicContact CG-CZ3 4.14Å; R522-S619 VanDerWaalsContact CD-OG 3.22Å; R522-S619 WeakPolarHBondContact CD-OG 3.46Å |
| 523 | K | 93.5 | Very high | 68.2 | Low | 90 Ų | 90 | 77.4 Ų | 77.4 | 39% | 0.391 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 150.6 | 164.5 | -55.2 | -172.4 | 171.9 | -167.3 | 0 | 109.9 | V520 W542 F543 V544 E558 | V520-K523 HydrophobicContact CG1-CD 4.35Å; V520-K523 HydrophobicContact CG1-CG 3.74Å; K523-W542 HydrophobicContact CB-CH2 4.26Å; K523-W542 HydrophobicContact CB-CZ2 3.54Å; K523-W542 HydrophobicContact CD-CZ2 4.28Å; K523-F543 CarbonylContact C-O 3.56Å; K523-F543 WeakPolarHBondContact CA-O 3.38Å; K523-V544 HydrophobicContact CD-CG2 4.11Å; K523-V544 HydrophobicContact CG-CB 4.43Å; K523-V544 HydrophobicContact CG-CG1 4.16Å; K523-V544 HydrophobicContact CG-CG2 4.03Å; K523-E558 VanDerWaalsContact CD-OE1 3.29Å; K523-E558 WeakPolarHBondContact CD-OE1 3.47Å; K523-E558 VanDerWaalsContact CE-OE1 3.31Å; K523-E558 WeakPolarHBondContact CE-OE1 3.42Å; K523-E558 IonicContact NZ-OE1 3.86Å; K523-E558 PolarHBondContact NZ-OE1 3.34Å; K523-E558 IonicContact NZ-OE2 2.82Å; K523-E558 PolarHBondContact NZ-OE2 3.37Å |
| 524 | G | 93.3 | Very high | 68.7 | Low | 11 Ų | 11 | 83.4 Ų | 83.4 | 11% | 0.113 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.3 | 168.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | W542 F543 | G524-W542 VanDerWaalsContact CA-CZ3 3.5Å; G524-F543 PolarHBondContact N-O 2.65Å; G524-F543 PolarHBondContact O-N 3.25Å |
| 525 | W | 93.4 | Very high | 69.6 | Low | 105 Ų | 105 | 82 Ų | 82 | 40% | 0.398 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 135.8 | 176.8 | -66.2 | 101.4 | 0 | 0 | 0 | 111.5 | E540 Y541 W542 D555 D556 | W525-E540 HydrophobicContact CB-CG 4.27Å; W525-E540 HydrophobicContact CE3-CG 3.83Å; W525-Y541 VanDerWaalsContact CE3-C 3.41Å; W525-W542 AromaticContact CD1-CE3 3.63Å; W525-W542 AromaticContact CD1-CZ3 3.53Å; W525-W542 AromaticContact CD2-CE3 3.83Å; W525-W542 HydrophobicContact CD2-CE3 3.83Å; W525-W542 AromaticContact CE2-CE3 3.67Å; W525-W542 HydrophobicContact CE3-CB 4.31Å; W525-W542 AromaticContact CG-CE3 3.83Å; W525-W542 HydrophobicContact CG-CE3 3.83Å; W525-W542 HydrophobicContact CG-CZ3 4.14Å; W525-W542 HydrophobicContact CH2-CB 4.49Å; W525-W542 HydrophobicContact CZ2-CE3 4.35Å; W525-W542 HydrophobicContact CZ3-CB 4.28Å; W525-W542 AromaticContact NE1-CE3 3.48Å; W525-W542 AromaticContact NE1-CZ3 3.52Å; W525-D555 HydrophobicContact CH2-CB 4.48Å; W525-D556 HydrophobicContact CZ2-CB 4.22Å |
| 526 | L | 93.3 | Very high | 70.2 | Confident | 1 Ų | 1 | 77.4 Ų | 77.4 | 1% | 0.005 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 146.4 | 169 | -71.4 | 168.9 | 0 | 0 | 0 | 109.6 | Y541 F543 F586 L605 C607 W616 | L526-Y541 PolarHBondContact N-O 3.43Å; L526-Y541 VanDerWaalsContact N-O 3.07Å; L526-Y541 PolarHBondContact O-N 3.08Å; L526-F543 HydrophobicContact CB-CD2 3.52Å; L526-F543 HydrophobicContact CB-CE2 3.58Å; L526-F543 HydrophobicContact CB-CG 4.23Å; L526-F543 HydrophobicContact CB-CZ 4.36Å; L526-F543 HydrophobicContact CD1-CB 4.17Å; L526-F543 HydrophobicContact CD1-CD1 4.21Å; L526-F543 HydrophobicContact CD1-CD2 4.04Å; L526-F543 HydrophobicContact CD1-CE2 4.44Å; L526-F543 HydrophobicContact CD1-CG 3.88Å; L526-F543 HydrophobicContact CG-CD2 4.18Å; L526-F543 HydrophobicContact CG-CG 4.46Å; L526-F586 HydrophobicContact CD2-CE1 4.49Å; L526-L605 HydrophobicContact CD1-CD1 4.17Å; L526-C607 WeakPolarHBondContact CD2-SG 3.45Å; L526-W616 HydrophobicContact CD1-CD2 3.73Å; L526-W616 HydrophobicContact CD1-CE3 3.86Å; L526-W616 HydrophobicContact CD1-CG 4.35Å; L526-W616 HydrophobicContact CD1-CH2 3.94Å; L526-W616 HydrophobicContact CD1-CZ2 3.79Å; L526-W616 HydrophobicContact CD1-CZ3 3.97Å; L526-W616 HydrophobicContact CD2-CD2 4.13Å; L526-W616 HydrophobicContact CD2-CG 4.02Å; L526-W616 HydrophobicContact CD2-CZ2 4.47Å; L526-W616 HydrophobicContact CG-CD2 4.11Å; L526-W616 HydrophobicContact CG-CH2 4.4Å; L526-W616 HydrophobicContact CG-CZ2 3.78Å |
| 527 | T | 91.3 | Very high | 71.8 | Confident | 6 Ų | 6 | 71.9 Ų | 71.9 | 4% | 0.037 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.8 | 174.4 | -57.6 | 0 | 0 | 0 | 0 | 110.4 | N529 A538 K539 K583 L605 A606 | T527-N529 PolarHBondContact O-N 3Å; T527-A538 HydrophobicContact CG2-CB 3.96Å; T527-K539 WeakPolarHBondContact CA-O 3.27Å; T527-K583 PolarHBondContact OG1-NZ 2.96Å; T527-L605 CarbonylContact O-C 3.51Å; T527-L605 WeakPolarHBondContact O-CA 3.38Å; T527-A606 PolarHBondContact N-O 3.14Å; T527-A606 VanDerWaalsContact N-O 3.08Å; T527-A606 PolarHBondContact O-N 3.43Å |
| 528 | I | 90.1 | Very high | 73.4 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 115.9 | 169.3 | -57 | 175.2 | 0 | 0 | 0 | 108.5 | I531 A538 K539 Y541 F543 W552 L603 E604 L605 | I528-I531 HydrophobicContact CB-CD1 3.83Å; I528-I531 HydrophobicContact CB-CG1 4.31Å; I528-I531 HydrophobicContact CD1-CD1 4.32Å; I528-I531 HydrophobicContact CG2-CD1 3.73Å; I528-I531 HydrophobicContact CG2-CG1 3.69Å; I528-A538 WeakPolarHBondContact O-CA 3.5Å; I528-K539 PolarHBondContact N-O 3.18Å; I528-K539 PolarHBondContact O-N 2.86Å; I528-Y541 HydrophobicContact CD1-CD2 3.57Å; I528-Y541 HydrophobicContact CD1-CE2 3.82Å; I528-Y541 HydrophobicContact CG1-CD2 3.94Å; I528-Y541 HydrophobicContact CG1-CE2 4.37Å; I528-F543 HydrophobicContact CD1-CZ 3.88Å; I528-F543 HydrophobicContact CG1-CE2 4.21Å; I528-F543 HydrophobicContact CG1-CZ 3.71Å; I528-W552 HydrophobicContact CD1-CD2 4.39Å; I528-W552 HydrophobicContact CD1-CZ2 3.91Å; I528-L603 HydrophobicContact CD1-CD1 4.18Å; I528-L603 HydrophobicContact CG1-CD1 4.29Å; I528-L603 HydrophobicContact CG2-CD1 3.6Å; I528-E604 CarbonylContact C-O 3.55Å; I528-E604 WeakPolarHBondContact CA-O 3.46Å; I528-L605 HydrophobicContact CG1-CD2 4Å |
| 529 | N | 81.1 | Confident | 74.8 | Confident | 58 Ų | 58 | 66.1 Ų | 66.1 | 31% | 0.31 | 35% | 0.353 | S | S | . | . | trans | -90.4 | -29.7 | -169.4 | -163.8 | 50.3 | 0 | 0 | 0 | 114.1 | T527 I531 I585 E604 | T527-N529 PolarHBondContact O-N 3Å; N529-I531 PolarHBondContact O-N 3.25Å; N529-I585 WeakPolarHBondContact ND2-CD1 3.45Å; N529-E604 HydrophobicContact CB-CB 4.04Å; N529-E604 PolarHBondContact N-O 3.38Å | ||
| 530 | N | 74.8 | Confident | 76.2 | Confident | 22 Ų | 22 | 63.1 Ų | 63.1 | 12% | 0.118 | 34% | 0.337 | C | S | . | . | trans | -91.7 | 15.9 | -172.9 | 68.4 | -7.5 | 0 | 0 | 0 | 115.6 | G532 Y600 Q602 E604 | N530-G532 PolarHBondContact O-N 2.72Å; N530-Y600 WeakPolarHBondContact O-CE1 3.35Å; N530-Y600 PolarHBondContact O-OH 3.31Å; N530-Q602 PolarHBondContact ND2-O 2.88Å; N530-E604 HydrophobicContact CB-CB 4.04Å; N530-E604 HydrophobicContact CB-CG 4.15Å | ||
| 531 | I | 64 | Low | 76.9 | Confident | 15 Ų | 15 | 61 Ų | 61 | 8% | 0.077 | 32% | 0.32 | C | S | . | . | trans | -74.5 | 113.5 | 174 | -62.8 | 169.3 | 0 | 0 | 0 | 109 | I528 N529 K535 Y541 Y597 | I528-I531 HydrophobicContact CB-CD1 3.83Å; I528-I531 HydrophobicContact CB-CG1 4.31Å; I528-I531 HydrophobicContact CD1-CD1 4.32Å; I528-I531 HydrophobicContact CG2-CD1 3.73Å; I528-I531 HydrophobicContact CG2-CG1 3.69Å; N529-I531 PolarHBondContact O-N 3.25Å; I531-K535 HydrophobicContact CG2-CB 4.09Å; I531-Y541 HydrophobicContact CD1-CE2 4.09Å; I531-Y597 HydrophobicContact CG1-CE1 4.31Å | ||
| 532 | G | 55.7 | Low | 77.6 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | trans | -55.6 | 150 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N530 M534 K535 Y600 | N530-G532 PolarHBondContact O-N 2.72Å; G532-M534 PolarHBondContact O-N 3.27Å; G532-K535 PolarHBondContact O-N 3.1Å; G532-Y600 PolarHBondContact N-OH 2.78Å | ||
| 533 | I | 49.9 | Very low | 78 | Confident | 167 Ų | 167 | 58 Ų | 58 | 86% | 0.856 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -53.6 | -32.5 | -174.6 | -63.4 | 166.5 | 0 | 0 | 0 | 112.4 | K535 | I533-K535 VanDerWaalsContact C-N 3.27Å; I533-K535 PolarHBondContact O-N 3.01Å |
| 534 | M | 50.2 | Low | 78 | Confident | 199 Ų | 199 | 54 Ų | 54 | 98% | 0.98 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -71.4 | -11 | 176.7 | -72.1 | -176.2 | 164.7 | 0 | 0 | 115 | G532 | G532-M534 PolarHBondContact O-N 3.27Š|
| 535 | K | 54.4 | Low | 78 | Confident | 130 Ų | 130 | 53.5 Ų | 53.5 | 57% | 0.565 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -116.7 | 11.1 | 179.3 | -72.5 | -175.8 | 179.5 | 170.5 | 0 | 114 | I531 G532 I533 | I531-K535 HydrophobicContact CG2-CB 4.09Å; G532-K535 PolarHBondContact O-N 3.1Å; I533-K535 VanDerWaalsContact C-N 3.27Å; I533-K535 PolarHBondContact O-N 3.01Å |
| 536 | G | 54.4 | Low | 77.8 | Confident | 44 Ų | 44 | 48.9 Ų | 48.9 | 45% | 0.454 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 109.6 | 20.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | K539 | G536-K539 WeakPolarHBondContact O-CE 3.29Š|
| 537 | G | 65.9 | Low | 77.2 | Confident | 25 Ų | 25 | 51.5 Ų | 51.5 | 26% | 0.258 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 71.1 | -174.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | K539 | G537-K539 PolarHBondContact O-N 3.37Š|
| 538 | A | 73.7 | Confident | 76.7 | Confident | 56 Ų | 56 | 55.3 Ų | 55.3 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -60.8 | 123.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | T527 I528 | T527-A538 HydrophobicContact CG2-CB 3.96Å; I528-A538 WeakPolarHBondContact O-CA 3.5Å |
| 539 | K | 83.8 | Confident | 76.8 | Confident | 89 Ų | 89 | 55.8 Ų | 55.8 | 39% | 0.387 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 141.5 | -175.9 | -78 | -177.3 | 179.5 | 174.3 | 0 | 110.8 | T527 I528 G536 G537 Y541 | T527-K539 WeakPolarHBondContact CA-O 3.27Å; I528-K539 PolarHBondContact N-O 3.18Å; I528-K539 PolarHBondContact O-N 2.86Å; G536-K539 WeakPolarHBondContact O-CE 3.29Å; G537-K539 PolarHBondContact O-N 3.37Å; K539-Y541 HydrophobicContact CB-CD2 4.46Å; K539-Y541 HydrophobicContact CB-CE2 3.72Å |
| 540 | E | 89.9 | Confident | 77.4 | Confident | 96 Ų | 96 | 53 Ų | 53 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 138 | 176.8 | -158.9 | 172.7 | -135.5 | 0 | 0 | 110.6 | W525 | W525-E540 HydrophobicContact CB-CG 4.27Å; W525-E540 HydrophobicContact CE3-CG 3.83Å |
| 541 | Y | 93.6 | Very high | 78.3 | Confident | 32 Ų | 32 | 52.1 Ų | 52.1 | 13% | 0.125 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 155.6 | 178.9 | -66.1 | -76 | 0 | 0 | 0 | 109.9 | W525 L526 I528 I531 K539 F543 W552 Y553 K562 | W525-Y541 VanDerWaalsContact CE3-C 3.41Å; L526-Y541 PolarHBondContact N-O 3.43Å; L526-Y541 VanDerWaalsContact N-O 3.07Å; L526-Y541 PolarHBondContact O-N 3.08Å; I528-Y541 HydrophobicContact CD1-CD2 3.57Å; I528-Y541 HydrophobicContact CD1-CE2 3.82Å; I528-Y541 HydrophobicContact CG1-CD2 3.94Å; I528-Y541 HydrophobicContact CG1-CE2 4.37Å; I531-Y541 HydrophobicContact CD1-CE2 4.09Å; K539-Y541 HydrophobicContact CB-CD2 4.46Å; K539-Y541 HydrophobicContact CB-CE2 3.72Å; Y541-F543 WeakPolarHBondContact O-CD2 3.28Å; Y541-W552 AromaticContact CD1-CD1 4Å; Y541-W552 AromaticContact CG-CD1 3.69Å; Y541-Y553 WeakPolarHBondContact CB-O 3.41Å; Y541-Y553 WeakPolarHBondContact CD1-O 3.45Å; Y541-K562 HydrophobicContact CD1-CG 4.24Å; Y541-K562 HydrophobicContact CE1-CG 4.02Å |
| 542 | W | 95.3 | Very high | 79.7 | Confident | 43 Ų | 43 | 51.4 Ų | 51.4 | 16% | 0.163 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 114.6 | 172.4 | -179.3 | -108.6 | 0 | 0 | 0 | 109.6 | K523 G524 W525 W552 Y553 D555 D556 E558 | K523-W542 HydrophobicContact CB-CH2 4.26Å; K523-W542 HydrophobicContact CB-CZ2 3.54Å; K523-W542 HydrophobicContact CD-CZ2 4.28Å; G524-W542 VanDerWaalsContact CA-CZ3 3.5Å; W525-W542 AromaticContact CD1-CE3 3.63Å; W525-W542 AromaticContact CD1-CZ3 3.53Å; W525-W542 AromaticContact CD2-CE3 3.83Å; W525-W542 HydrophobicContact CD2-CE3 3.83Å; W525-W542 AromaticContact CE2-CE3 3.67Å; W525-W542 HydrophobicContact CE3-CB 4.31Å; W525-W542 AromaticContact CG-CE3 3.83Å; W525-W542 HydrophobicContact CG-CE3 3.83Å; W525-W542 HydrophobicContact CG-CZ3 4.14Å; W525-W542 HydrophobicContact CH2-CB 4.49Å; W525-W542 HydrophobicContact CZ2-CE3 4.35Å; W525-W542 HydrophobicContact CZ3-CB 4.28Å; W525-W542 AromaticContact NE1-CE3 3.48Å; W525-W542 AromaticContact NE1-CZ3 3.52Å; W542-W552 CarbonylContact O-C 3.51Å; W542-W552 WeakPolarHBondContact O-CA 3.45Å; W542-Y553 PolarHBondContact N-O 3.2Å; W542-Y553 VanDerWaalsContact N-O 3.09Å; W542-Y553 PolarHBondContact O-N 3.36Å; W542-D555 WeakPolarHBondContact CB-O 3.47Å; W542-D556 HydrophobicContact CD2-CB 3.74Å; W542-D556 HydrophobicContact CE3-CB 3.92Å; W542-D556 HydrophobicContact CG-CB 4.1Å; W542-D556 HydrophobicContact CH2-CB 4.45Å; W542-D556 HydrophobicContact CZ2-CB 4.29Å; W542-D556 HydrophobicContact CZ3-CB 4.27Å; W542-E558 PolarHBondContact NE1-OE1 2.77Å |
| 543 | F | 96.2 | Very high | 81.5 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 140 | -178.4 | -79 | -105.4 | 0 | 0 | 0 | 111.3 | K523 G524 L526 I528 Y541 L550 S551 W552 L605 W616 | K523-F543 CarbonylContact C-O 3.56Å; K523-F543 WeakPolarHBondContact CA-O 3.38Å; G524-F543 PolarHBondContact N-O 2.65Å; G524-F543 PolarHBondContact O-N 3.25Å; L526-F543 HydrophobicContact CB-CD2 3.52Å; L526-F543 HydrophobicContact CB-CE2 3.58Å; L526-F543 HydrophobicContact CB-CG 4.23Å; L526-F543 HydrophobicContact CB-CZ 4.36Å; L526-F543 HydrophobicContact CD1-CB 4.17Å; L526-F543 HydrophobicContact CD1-CD1 4.21Å; L526-F543 HydrophobicContact CD1-CD2 4.04Å; L526-F543 HydrophobicContact CD1-CE2 4.44Å; L526-F543 HydrophobicContact CD1-CG 3.88Å; L526-F543 HydrophobicContact CG-CD2 4.18Å; L526-F543 HydrophobicContact CG-CG 4.46Å; I528-F543 HydrophobicContact CD1-CZ 3.88Å; I528-F543 HydrophobicContact CG1-CE2 4.21Å; I528-F543 HydrophobicContact CG1-CZ 3.71Å; Y541-F543 WeakPolarHBondContact O-CD2 3.28Å; F543-L550 HydrophobicContact CD1-CD1 3.73Å; F543-L550 HydrophobicContact CD1-CD2 3.98Å; F543-L550 HydrophobicContact CD1-CG 3.84Å; F543-L550 HydrophobicContact CE1-CD2 3.97Å; F543-L550 HydrophobicContact CE1-CG 4.25Å; F543-S551 CarbonylContact C-O 3.59Å; F543-S551 WeakPolarHBondContact CA-O 3.36Å; F543-W552 HydrophobicContact CD1-CB 3.72Å; F543-W552 HydrophobicContact CD1-CD2 4.48Å; F543-W552 HydrophobicContact CD1-CE3 4.12Å; F543-W552 HydrophobicContact CD1-CG 4.39Å; F543-W552 HydrophobicContact CD2-CB 3.89Å; F543-W552 HydrophobicContact CE1-CB 3.78Å; F543-W552 AromaticContact CE1-CD2 3.81Å; F543-W552 HydrophobicContact CE1-CD2 3.81Å; F543-W552 AromaticContact CE1-CE3 3.52Å; F543-W552 HydrophobicContact CE1-CE3 3.52Å; F543-W552 AromaticContact CE1-CG 3.98Å; F543-W552 HydrophobicContact CE1-CG 3.98Å; F543-W552 HydrophobicContact CE1-CZ3 4.24Å; F543-W552 HydrophobicContact CE2-CB 3.95Å; F543-W552 HydrophobicContact CE2-CG 4.33Å; F543-W552 HydrophobicContact CG-CB 3.81Å; F543-W552 HydrophobicContact CZ-CB 3.9Å; F543-W552 HydrophobicContact CZ-CD2 4.03Å; F543-W552 HydrophobicContact CZ-CE3 4.18Å; F543-W552 AromaticContact CZ-CG 3.95Å; F543-W552 HydrophobicContact CZ-CG 3.95Å; F543-L605 HydrophobicContact CE1-CD2 3.91Å; F543-L605 HydrophobicContact CE2-CD2 4.34Å; F543-L605 HydrophobicContact CZ-CD2 3.55Å; F543-W616 HydrophobicContact CB-CH2 3.63Å; F543-W616 HydrophobicContact CB-CZ2 4.31Å; F543-W616 HydrophobicContact CB-CZ3 4.28Å |
| 544 | V | 94.3 | Very high | 83.4 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 108.3 | 172.8 | -178.8 | 0 | 0 | 0 | 0 | 107.2 | V520 K523 T546 S551 Y553 E558 | V520-V544 HydrophobicContact CG1-CG1 3.85Å; V520-V544 HydrophobicContact CG2-CG1 4.16Å; K523-V544 HydrophobicContact CD-CG2 4.11Å; K523-V544 HydrophobicContact CG-CB 4.43Å; K523-V544 HydrophobicContact CG-CG1 4.16Å; K523-V544 HydrophobicContact CG-CG2 4.03Å; V544-T546 HydrophobicContact CG1-CG2 4.27Å; V544-S551 PolarHBondContact N-O 3.05Å; V544-S551 PolarHBondContact O-N 2.86Å; V544-Y553 HydrophobicContact CB-CE2 4.05Å; V544-Y553 HydrophobicContact CG2-CD2 3.97Å; V544-Y553 HydrophobicContact CG2-CE2 3.58Å; V544-E558 HydrophobicContact CG2-CG 4.4Å |
| 545 | L | 93.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 133.4 | 175.7 | 177 | 62.5 | 0 | 0 | 0 | 109.8 | I521 R522 L550 V567 W616 S619 F620 A623 | I521-L545 HydrophobicContact CB-CG 4.33Å; I521-L545 HydrophobicContact CG2-CD2 4.4Å; I521-L545 PolarHBondContact N-O 2.93Å; R522-L545 PolarHBondContact N-O 3.2Å; R522-L545 PolarHBondContact O-N 2.64Å; L545-L550 HydrophobicContact CB-CD1 3.89Å; L545-L550 HydrophobicContact CD1-CB 4.24Å; L545-L550 HydrophobicContact CD1-CD1 3.96Å; L545-L550 HydrophobicContact CG-CD1 4.46Å; L545-V567 HydrophobicContact CD1-CG1 4.01Å; L545-W616 HydrophobicContact CB-CZ3 4.23Å; L545-S619 VanDerWaalsContact CD2-C 3.4Å; L545-S619 WeakPolarHBondContact CD2-O 3.46Å; L545-F620 HydrophobicContact CD1-CD1 3.96Å; L545-F620 HydrophobicContact CD1-CE1 3.79Å; L545-F620 HydrophobicContact CD2-CD1 3.83Å; L545-F620 HydrophobicContact CD2-CE1 4.05Å; L545-F620 HydrophobicContact CD2-CG 4.13Å; L545-A623 HydrophobicContact CD1-CB 3.77Å; L545-A623 HydrophobicContact CD2-CB 4.17Å; L545-A623 HydrophobicContact CG-CB 4.14Å |
| 546 | T | 88.7 | Confident | 86.9 | Confident | 8 Ų | 8 | 39.8 Ų | 39.8 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 172.5 | 178 | 68.9 | 0 | 0 | 0 | 0 | 109.7 | I518 V520 V544 E548 S549 A623 | I518-T546 HydrophobicContact CG2-CG2 3.34Å; I518-T546 VanDerWaalsContact CG2-OG1 3.31Å; I518-T546 WeakPolarHBondContact CG2-OG1 3.46Å; V520-T546 HydrophobicContact CG2-CG2 4.27Å; V544-T546 HydrophobicContact CG1-CG2 4.27Å; T546-E548 PolarHBondContact O-N 3.5Å; T546-E548 PolarHBondContact OG1-N 3.12Å; T546-S549 PolarHBondContact N-O 3.34Å; T546-S549 PolarHBondContact OG1-N 3.4Å; T546-S549 PolarHBondContact OG1-O 3.04Å; T546-S549 PolarHBondContact OG1-OG 2.61Å; T546-A623 WeakPolarHBondContact O-CB 3.42Å |
| 547 | A | 79.3 | Confident | 88.4 | Confident | 55 Ų | 55 | 43.2 Ų | 43.2 | 46% | 0.455 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -63.8 | -18.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I521 V567 | I521-A547 HydrophobicContact CD1-CB 4.09Å; A547-V567 VanDerWaalsContact O-CG2 3.26Å; A547-V567 WeakPolarHBondContact O-CG2 3.47Å |
| 548 | E | 82.3 | Confident | 89.4 | Confident | 87 Ų | 87 | 44.8 Ų | 44.8 | 41% | 0.407 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -117.2 | -24.7 | -174.2 | -58.8 | -170.9 | 161.9 | 0 | 0 | 113.6 | T546 V567 | T546-E548 PolarHBondContact O-N 3.5Å; T546-E548 PolarHBondContact OG1-N 3.12Å; E548-V567 PolarHBondContact O-N 2.83Å |
| 549 | S | 91.1 | Very high | 89.9 | Confident | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 149.4 | -176.3 | 69.1 | 0 | 0 | 0 | 0 | 113.8 | T546 L565 | T546-S549 PolarHBondContact N-O 3.34Å; T546-S549 PolarHBondContact OG1-N 3.4Å; T546-S549 PolarHBondContact OG1-O 3.04Å; T546-S549 PolarHBondContact OG1-OG 2.61Å; S549-L565 CarbonylContact C-O 3.49Å; S549-L565 VanDerWaalsContact CA-O 3.27Å; S549-L565 WeakPolarHBondContact CA-O 3.48Å |
| 550 | L | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 109.3 | 162.7 | -177.9 | 70.8 | 0 | 0 | 0 | 108.5 | F543 L545 L565 L588 L605 F620 | F543-L550 HydrophobicContact CD1-CD1 3.73Å; F543-L550 HydrophobicContact CD1-CD2 3.98Å; F543-L550 HydrophobicContact CD1-CG 3.84Å; F543-L550 HydrophobicContact CE1-CD2 3.97Å; F543-L550 HydrophobicContact CE1-CG 4.25Å; L545-L550 HydrophobicContact CB-CD1 3.89Å; L545-L550 HydrophobicContact CD1-CB 4.24Å; L545-L550 HydrophobicContact CD1-CD1 3.96Å; L545-L550 HydrophobicContact CG-CD1 4.46Å; L550-L565 HydrophobicContact CB-CB 4.44Å; L550-L565 PolarHBondContact N-O 3.17Å; L550-L565 WeakPolarHBondContact O-CB 3.43Å; L550-L565 PolarHBondContact O-N 2.79Å; L550-L588 HydrophobicContact CD2-CD1 3.6Å; L550-L605 HydrophobicContact CD2-CD1 4.46Å; L550-F620 HydrophobicContact CB-CE1 4.4Å; L550-F620 HydrophobicContact CD1-CE1 3.77Å; L550-F620 HydrophobicContact CD1-CZ 3.66Å; L550-F620 HydrophobicContact CD2-CE1 3.76Å; L550-F620 HydrophobicContact CD2-CZ 3.64Å; L550-F620 HydrophobicContact CG-CE1 4.18Å; L550-F620 HydrophobicContact CG-CZ 4.23Å |
| 551 | S | 94 | Very high | 90.2 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.028 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 150.4 | 174.6 | -63.7 | 0 | 0 | 0 | 0 | 110.5 | F543 V544 Y563 | F543-S551 CarbonylContact C-O 3.59Å; F543-S551 WeakPolarHBondContact CA-O 3.36Å; V544-S551 PolarHBondContact N-O 3.05Å; V544-S551 PolarHBondContact O-N 2.86Å; S551-Y563 WeakPolarHBondContact CA-O 3.39Å |
| 552 | W | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 150.7 | 169.1 | 63.9 | 94 | 0 | 0 | 0 | 113.2 | I528 Y541 W542 F543 K562 Y563 L565 Y597 L603 | I528-W552 HydrophobicContact CD1-CD2 4.39Å; I528-W552 HydrophobicContact CD1-CZ2 3.91Å; Y541-W552 AromaticContact CD1-CD1 4Å; Y541-W552 AromaticContact CG-CD1 3.69Å; W542-W552 CarbonylContact O-C 3.51Å; W542-W552 WeakPolarHBondContact O-CA 3.45Å; F543-W552 HydrophobicContact CD1-CB 3.72Å; F543-W552 HydrophobicContact CD1-CD2 4.48Å; F543-W552 HydrophobicContact CD1-CE3 4.12Å; F543-W552 HydrophobicContact CD1-CG 4.39Å; F543-W552 HydrophobicContact CD2-CB 3.89Å; F543-W552 HydrophobicContact CE1-CB 3.78Å; F543-W552 AromaticContact CE1-CD2 3.81Å; F543-W552 HydrophobicContact CE1-CD2 3.81Å; F543-W552 AromaticContact CE1-CE3 3.52Å; F543-W552 HydrophobicContact CE1-CE3 3.52Å; F543-W552 AromaticContact CE1-CG 3.98Å; F543-W552 HydrophobicContact CE1-CG 3.98Å; F543-W552 HydrophobicContact CE1-CZ3 4.24Å; F543-W552 HydrophobicContact CE2-CB 3.95Å; F543-W552 HydrophobicContact CE2-CG 4.33Å; F543-W552 HydrophobicContact CG-CB 3.81Å; F543-W552 HydrophobicContact CZ-CB 3.9Å; F543-W552 HydrophobicContact CZ-CD2 4.03Å; F543-W552 HydrophobicContact CZ-CE3 4.18Å; F543-W552 AromaticContact CZ-CG 3.95Å; F543-W552 HydrophobicContact CZ-CG 3.95Å; W552-K562 PolarHBondContact O-N 3.45Å; W552-Y563 AromaticContact CH2-CD1 3.21Å; W552-Y563 HydrophobicContact CH2-CD1 3.21Å; W552-Y563 HydrophobicContact CH2-CE1 4.08Å; W552-Y563 AromaticContact CH2-CG 3.68Å; W552-Y563 HydrophobicContact CH2-CG 3.68Å; W552-Y563 AromaticContact CZ2-CD1 3.76Å; W552-Y563 HydrophobicContact CZ2-CD1 3.76Å; W552-Y563 AromaticContact CZ2-CG 3.71Å; W552-Y563 HydrophobicContact CZ2-CG 3.71Å; W552-Y563 AromaticContact CZ3-CD1 3.66Å; W552-Y563 HydrophobicContact CZ3-CD1 3.66Å; W552-Y563 HydrophobicContact CZ3-CG 4.28Å; W552-Y563 PolarHBondContact N-O 3.12Å; W552-Y563 VanDerWaalsContact N-O 3.11Å; W552-Y563 PolarHBondContact O-N 2.99Å; W552-L565 HydrophobicContact CZ3-CB 4.14Å; W552-Y597 AromaticContact CH2-CD2 3.7Å; W552-Y597 HydrophobicContact CH2-CD2 3.7Å; W552-Y597 HydrophobicContact CH2-CE2 4.08Å; W552-Y597 HydrophobicContact CH2-CG 4.22Å; W552-Y597 AromaticContact CZ2-CD2 3.53Å; W552-Y597 HydrophobicContact CZ2-CD2 3.53Å; W552-Y597 AromaticContact CZ2-CE2 3.42Å; W552-Y597 HydrophobicContact CZ2-CE2 3.42Å; W552-Y597 VanDerWaalsContact CZ2-CE2 3.42Å; W552-Y597 HydrophobicContact CZ2-CG 4.17Å; W552-Y597 AromaticContact CZ2-CZ 3.95Å; W552-L603 HydrophobicContact CH2-CD1 4.5Å; W552-L603 HydrophobicContact CH2-CD2 3.87Å; W552-L603 HydrophobicContact CZ3-CD2 3.94Å |
| 553 | Y | 93.3 | Very high | 89.7 | Confident | 25 Ų | 25 | 54.3 Ų | 54.3 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 159.8 | -169.3 | -60.2 | -100.9 | 0 | 0 | 0 | 110.1 | Y541 W542 V544 D555 E558 E560 K561 | Y541-Y553 WeakPolarHBondContact CB-O 3.41Å; Y541-Y553 WeakPolarHBondContact CD1-O 3.45Å; W542-Y553 PolarHBondContact N-O 3.2Å; W542-Y553 VanDerWaalsContact N-O 3.09Å; W542-Y553 PolarHBondContact O-N 3.36Å; V544-Y553 HydrophobicContact CB-CE2 4.05Å; V544-Y553 HydrophobicContact CG2-CD2 3.97Å; V544-Y553 HydrophobicContact CG2-CE2 3.58Å; Y553-D555 WeakPolarHBondContact CB-O 3.43Å; Y553-D555 PolarHBondContact O-N 2.95Å; Y553-E558 VanDerWaalsContact CD1-C 3.49Å; Y553-E558 VanDerWaalsContact CD1-CA 3.45Å; Y553-E558 HydrophobicContact CD1-CB 3.94Å; Y553-E558 HydrophobicContact CD1-CG 4.29Å; Y553-E558 WeakPolarHBondContact CD1-O 3.17Å; Y553-E558 HydrophobicContact CD2-CG 4.09Å; Y553-E558 HydrophobicContact CE1-CB 3.87Å; Y553-E558 HydrophobicContact CE1-CG 4.33Å; Y553-E558 WeakPolarHBondContact CE1-O 3.35Å; Y553-E558 HydrophobicContact CE2-CG 4.21Å; Y553-E558 HydrophobicContact CG-CB 4.29Å; Y553-E558 HydrophobicContact CG-CG 4.14Å; Y553-E560 WeakPolarHBondContact CA-O 3.43Å; Y553-K561 VanDerWaalsContact CD1-CA 3.5Å; Y553-K561 HydrophobicContact CD1-CB 3.86Å; Y553-K561 HydrophobicContact CD1-CG 4.45Å; Y553-K561 HydrophobicContact CE1-CB 3.63Å; Y553-K561 HydrophobicContact CE1-CG 4.09Å; Y553-K561 VanDerWaalsContact CZ-CE 3.46Å; Y553-K561 WeakPolarHBondContact OH-CE 3.2Å |
| 554 | K | 89.1 | Confident | 89.4 | Confident | 117 Ų | 117 | 58.5 Ų | 58.5 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -59.2 | -38.4 | 175.8 | -172.2 | 179.8 | 166.3 | -163.9 | 0 | 112.1 | E560 | K554-E560 HydrophobicContact CB-CB 4.29Å; K554-E560 VanDerWaalsContact CD-OE2 3.25Å; K554-E560 WeakPolarHBondContact CD-OE2 3.44Å; K554-E560 PolarHBondContact N-O 3.16Å; K554-E560 VanDerWaalsContact N-O 3.13Å |
| 555 | D | 89.6 | Confident | 89.2 | Confident | 42 Ų | 42 | 58.7 Ų | 58.7 | 23% | 0.225 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -150.5 | 171.6 | -173.4 | 42 | 43.3 | 0 | 0 | 0 | 110.3 | W525 W542 Y553 E557 E558 | W525-D555 HydrophobicContact CH2-CB 4.48Å; W542-D555 WeakPolarHBondContact CB-O 3.47Å; Y553-D555 WeakPolarHBondContact CB-O 3.43Å; Y553-D555 PolarHBondContact O-N 2.95Å; D555-E557 PolarHBondContact O-N 3.34Å; D555-E558 PolarHBondContact O-N 3.14Å |
| 556 | D | 88.5 | Confident | 89 | Confident | 96 Ų | 96 | 62.3 Ų | 62.3 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -7.5 | 179.7 | 63.9 | -37.6 | 0 | 0 | 0 | 113.8 | W525 W542 E558 | W525-D556 HydrophobicContact CZ2-CB 4.22Å; W542-D556 HydrophobicContact CD2-CB 3.74Å; W542-D556 HydrophobicContact CE3-CB 3.92Å; W542-D556 HydrophobicContact CG-CB 4.1Å; W542-D556 HydrophobicContact CH2-CB 4.45Å; W542-D556 HydrophobicContact CZ2-CB 4.29Å; W542-D556 HydrophobicContact CZ3-CB 4.27Å; D556-E558 PolarHBondContact O-N 3Å |
| 557 | E | 87.4 | Confident | 89 | Confident | 116 Ų | 116 | 62.2 Ų | 62.2 | 54% | 0.542 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -12 | 170 | -58.9 | -166.2 | 159.7 | 0 | 0 | 112.8 | D555 K559 | D555-E557 PolarHBondContact O-N 3.34Å; E557-K559 HydrophobicContact CB-CD 4.25Å; E557-K559 HydrophobicContact CB-CG 4.14Å; E557-K559 PolarHBondContact O-N 3.17Å; E557-K559 IonicContact OE1-NZ 3.09Å; E557-K559 WeakPolarHBondContact OE2-CD 3.42Å; E557-K559 VanDerWaalsContact OE2-CE 3.24Å; E557-K559 WeakPolarHBondContact OE2-CE 3.29Å; E557-K559 IonicContact OE2-NZ 3.77Å; E557-K559 PolarHBondContact OE2-NZ 3.09Å |
| 558 | E | 86.8 | Confident | 89.1 | Confident | 58 Ų | 58 | 65.2 Ų | 65.2 | 27% | 0.271 | 31% | 0.312 | S | S | . | . | trans | 55.7 | 19.8 | 177.1 | -67.8 | 175.6 | -156.4 | 0 | 0 | 114.7 | K523 W542 V544 Y553 D555 D556 | K523-E558 VanDerWaalsContact CD-OE1 3.29Å; K523-E558 WeakPolarHBondContact CD-OE1 3.47Å; K523-E558 VanDerWaalsContact CE-OE1 3.31Å; K523-E558 WeakPolarHBondContact CE-OE1 3.42Å; K523-E558 IonicContact NZ-OE1 3.86Å; K523-E558 PolarHBondContact NZ-OE1 3.34Å; K523-E558 IonicContact NZ-OE2 2.82Å; K523-E558 PolarHBondContact NZ-OE2 3.37Å; W542-E558 PolarHBondContact NE1-OE1 2.77Å; V544-E558 HydrophobicContact CG2-CG 4.4Å; Y553-E558 VanDerWaalsContact CD1-C 3.49Å; Y553-E558 VanDerWaalsContact CD1-CA 3.45Å; Y553-E558 HydrophobicContact CD1-CB 3.94Å; Y553-E558 HydrophobicContact CD1-CG 4.29Å; Y553-E558 WeakPolarHBondContact CD1-O 3.17Å; Y553-E558 HydrophobicContact CD2-CG 4.09Å; Y553-E558 HydrophobicContact CE1-CB 3.87Å; Y553-E558 HydrophobicContact CE1-CG 4.33Å; Y553-E558 WeakPolarHBondContact CE1-O 3.35Å; Y553-E558 HydrophobicContact CE2-CG 4.21Å; Y553-E558 HydrophobicContact CG-CB 4.29Å; Y553-E558 HydrophobicContact CG-CG 4.14Å; D555-E558 PolarHBondContact O-N 3.14Å; D556-E558 PolarHBondContact O-N 3Å | ||
| 559 | K | 84.2 | Confident | 89.2 | Confident | 166 Ų | 166 | 64.9 Ų | 64.9 | 72% | 0.722 | 31% | 0.313 | S | S | * | . | trans | -77.2 | -36.3 | -178.8 | -69 | 177.7 | -174.1 | 158.7 | 0 | 113.1 | E557 | E557-K559 HydrophobicContact CB-CD 4.25Å; E557-K559 HydrophobicContact CB-CG 4.14Å; E557-K559 PolarHBondContact O-N 3.17Å; E557-K559 IonicContact OE1-NZ 3.09Å; E557-K559 WeakPolarHBondContact OE2-CD 3.42Å; E557-K559 VanDerWaalsContact OE2-CE 3.24Å; E557-K559 WeakPolarHBondContact OE2-CE 3.29Å; E557-K559 IonicContact OE2-NZ 3.77Å; E557-K559 PolarHBondContact OE2-NZ 3.09Å | ||
| 560 | E | 87.8 | Confident | 89.1 | Confident | 89 Ų | 89 | 64.8 Ų | 64.8 | 42% | 0.416 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -117 | 90.8 | -176.3 | -162.7 | -170 | 171.7 | 0 | 0 | 111.5 | Y553 K554 K562 | Y553-E560 WeakPolarHBondContact CA-O 3.43Å; K554-E560 HydrophobicContact CB-CB 4.29Å; K554-E560 VanDerWaalsContact CD-OE2 3.25Å; K554-E560 WeakPolarHBondContact CD-OE2 3.44Å; K554-E560 PolarHBondContact N-O 3.16Å; K554-E560 VanDerWaalsContact N-O 3.13Å; E560-K562 PolarHBondContact O-N 3.02Å; E560-K562 IonicContact OE1-NZ 2.7Å; E560-K562 PolarHBondContact OE1-NZ 3.25Å; E560-K562 IonicContact OE2-NZ 3.09Å; E560-K562 PolarHBondContact OE2-NZ 3.44Å |
| 561 | K | 90.5 | Very high | 88.8 | Confident | 98 Ų | 98 | 68.8 Ų | 68.8 | 43% | 0.426 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 115.5 | 174.4 | -172.6 | 176.4 | -67.7 | -177.1 | 0 | 110.1 | Y553 M564 | Y553-K561 VanDerWaalsContact CD1-CA 3.5Å; Y553-K561 HydrophobicContact CD1-CB 3.86Å; Y553-K561 HydrophobicContact CD1-CG 4.45Å; Y553-K561 HydrophobicContact CE1-CB 3.63Å; Y553-K561 HydrophobicContact CE1-CG 4.09Å; Y553-K561 VanDerWaalsContact CZ-CE 3.46Å; Y553-K561 WeakPolarHBondContact OH-CE 3.2Å; K561-M564 HydrophobicContact CD-CB 4.39Å; K561-M564 HydrophobicContact CD-CE 4.01Å |
| 562 | K | 89.4 | Confident | 88.6 | Confident | 82 Ų | 82 | 68.8 Ų | 68.8 | 36% | 0.357 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -36.1 | -178.8 | -67 | -66.6 | 177.1 | -173.4 | 0 | 112.5 | Y541 W552 E560 | Y541-K562 HydrophobicContact CD1-CG 4.24Å; Y541-K562 HydrophobicContact CE1-CG 4.02Å; W552-K562 PolarHBondContact O-N 3.45Å; E560-K562 PolarHBondContact O-N 3.02Å; E560-K562 IonicContact OE1-NZ 2.7Å; E560-K562 PolarHBondContact OE1-NZ 3.25Å; E560-K562 IonicContact OE2-NZ 3.09Å; E560-K562 PolarHBondContact OE2-NZ 3.44Å |
| 563 | Y | 89.8 | Confident | 88.4 | Confident | 81 Ų | 81 | 72.4 Ų | 72.4 | 32% | 0.318 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 158.2 | 178.8 | -155.4 | -106.3 | 0 | 0 | 0 | 110.9 | S551 W552 L565 Y597 | S551-Y563 WeakPolarHBondContact CA-O 3.39Å; W552-Y563 AromaticContact CH2-CD1 3.21Å; W552-Y563 HydrophobicContact CH2-CD1 3.21Å; W552-Y563 HydrophobicContact CH2-CE1 4.08Å; W552-Y563 AromaticContact CH2-CG 3.68Å; W552-Y563 HydrophobicContact CH2-CG 3.68Å; W552-Y563 AromaticContact CZ2-CD1 3.76Å; W552-Y563 HydrophobicContact CZ2-CD1 3.76Å; W552-Y563 AromaticContact CZ2-CG 3.71Å; W552-Y563 HydrophobicContact CZ2-CG 3.71Å; W552-Y563 AromaticContact CZ3-CD1 3.66Å; W552-Y563 HydrophobicContact CZ3-CD1 3.66Å; W552-Y563 HydrophobicContact CZ3-CG 4.28Å; W552-Y563 PolarHBondContact N-O 3.12Å; W552-Y563 VanDerWaalsContact N-O 3.11Å; W552-Y563 PolarHBondContact O-N 2.99Å; Y563-L565 HydrophobicContact CD1-CB 4.18Å; Y563-L565 HydrophobicContact CE1-CB 4.16Å; Y563-L565 HydrophobicContact CE1-CD1 4.47Å; Y563-Y597 AromaticContact CD1-CD2 3.91Å; Y563-Y597 HydrophobicContact CD1-CD2 3.91Å; Y563-Y597 HydrophobicContact CD1-CE2 4.32Å; Y563-Y597 AromaticContact CD2-CD2 3.97Å; Y563-Y597 HydrophobicContact CD2-CD2 3.97Å; Y563-Y597 AromaticContact CD2-CE2 3.78Å; Y563-Y597 HydrophobicContact CD2-CE2 3.78Å; Y563-Y597 AromaticContact CE1-CD2 3.91Å; Y563-Y597 HydrophobicContact CE1-CD2 3.91Å; Y563-Y597 AromaticContact CE2-CD2 4Å; Y563-Y597 HydrophobicContact CE2-CD2 4Å; Y563-Y597 HydrophobicContact CE2-CE2 4.15Å; Y563-Y597 AromaticContact CG-CD2 3.92Å; Y563-Y597 HydrophobicContact CG-CD2 3.92Å; Y563-Y597 AromaticContact CG-CE2 3.86Å; Y563-Y597 HydrophobicContact CG-CE2 3.86Å; Y563-Y597 AromaticContact CZ-CD2 3.96Å |
| 564 | M | 90.2 | Very high | 87.9 | Confident | 88 Ų | 88 | 76.3 Ų | 76.3 | 43% | 0.433 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 120.4 | 170.2 | 178.7 | -175.9 | -68.9 | 0 | 0 | 107.6 | K561 | K561-M564 HydrophobicContact CD-CB 4.39Å; K561-M564 HydrophobicContact CD-CE 4.01Å |
| 565 | L | 90.6 | Very high | 87.6 | Confident | 11 Ų | 11 | 72.5 Ų | 72.5 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 117.6 | -179.9 | 175.6 | 61.8 | 0 | 0 | 0 | 108.8 | S549 L550 W552 Y563 V567 L570 V596 L603 | S549-L565 CarbonylContact C-O 3.49Å; S549-L565 VanDerWaalsContact CA-O 3.27Å; S549-L565 WeakPolarHBondContact CA-O 3.48Å; L550-L565 HydrophobicContact CB-CB 4.44Å; L550-L565 PolarHBondContact N-O 3.17Å; L550-L565 WeakPolarHBondContact O-CB 3.43Å; L550-L565 PolarHBondContact O-N 2.79Å; W552-L565 HydrophobicContact CZ3-CB 4.14Å; Y563-L565 HydrophobicContact CD1-CB 4.18Å; Y563-L565 HydrophobicContact CE1-CB 4.16Å; Y563-L565 HydrophobicContact CE1-CD1 4.47Å; L565-V567 PolarHBondContact O-N 2.94Å; L565-L570 HydrophobicContact CD1-CD2 4.42Å; L565-L570 HydrophobicContact CD2-CD1 3.62Å; L565-L570 HydrophobicContact CD2-CD2 4.24Å; L565-L570 HydrophobicContact CG-CD1 3.87Å; L565-V596 HydrophobicContact CD1-CG1 3.93Å; L565-V596 VanDerWaalsContact CD1-O 3.31Å; L565-V596 WeakPolarHBondContact CD1-O 3.39Å; L565-V596 HydrophobicContact CD2-CG1 3.46Å; L565-V596 VanDerWaalsContact CD2-CG1 3.46Å; L565-V596 HydrophobicContact CG-CG1 4.34Å; L565-L603 HydrophobicContact CD2-CD2 4.25Å |
| 566 | P | 88.8 | Confident | 86.6 | Confident | 76 Ų | 76 | 79.3 Ų | 79.3 | 49% | 0.494 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 136.6 | 171.1 | -23.2 | 34 | 0 | 0 | 0 | 110.7 | D568 L570 | P566-D568 VanDerWaalsContact C-N 3.27Å; P566-L570 WeakPolarHBondContact O-CD1 3.21Å |
| 567 | V | 88.1 | Confident | 85.4 | Confident | 6 Ų | 6 | 80.7 Ų | 80.7 | 4% | 0.036 | 38% | 0.383 | C | S | . | . | trans | -76 | -18.3 | 178.4 | -60.6 | 0 | 0 | 0 | 0 | 112.9 | L545 A547 E548 L565 N569 L570 A623 V625 | L545-V567 HydrophobicContact CD1-CG1 4.01Å; A547-V567 VanDerWaalsContact O-CG2 3.26Å; A547-V567 WeakPolarHBondContact O-CG2 3.47Å; E548-V567 PolarHBondContact O-N 2.83Å; L565-V567 PolarHBondContact O-N 2.94Å; V567-N569 PolarHBondContact O-N 3.27Å; V567-L570 WeakPolarHBondContact O-CB 3.23Å; V567-L570 PolarHBondContact O-N 3.21Å; V567-L570 VanDerWaalsContact O-N 3.12Å; V567-A623 HydrophobicContact CG1-CB 4.36Å; V567-A623 WeakPolarHBondContact CG2-O 3.46Å; V567-V625 HydrophobicContact CB-CG2 3.76Å; V567-V625 HydrophobicContact CG1-CG2 4.21Å | ||
| 568 | D | 82.8 | Confident | 84.2 | Confident | 119 Ų | 119 | 77.2 Ų | 77.2 | 64% | 0.636 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 133.8 | 176.2 | -71.3 | -16.3 | 0 | 0 | 0 | 111.6 | P566 L570 | P566-D568 VanDerWaalsContact C-N 3.27Å; D568-L570 PolarHBondContact O-N 3.12Å; D568-L570 VanDerWaalsContact O-N 3.14Å |
| 569 | N | 83.7 | Confident | 82.6 | Confident | 80 Ų | 80 | 84.5 Ų | 84.5 | 43% | 0.428 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 14.7 | -179.8 | -59.6 | -34.4 | 0 | 0 | 0 | 114.8 | V567 N590 T591 E592 | V567-N569 PolarHBondContact O-N 3.27Å; N569-N590 CarbonylContact O-C 3.41Å; N569-N590 WeakPolarHBondContact O-CA 3.5Å; N569-T591 PolarHBondContact O-N 3.01Å; N569-T591 PolarHBondContact O-OG1 3.4Å; N569-E592 PolarHBondContact ND2-OE1 3.35Å |
| 570 | L | 88.6 | Confident | 81.3 | Confident | 6 Ų | 6 | 85.2 Ų | 85.2 | 3% | 0.031 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 141.2 | 169.2 | -65.1 | -177.1 | 0 | 0 | 0 | 111.4 | L565 P566 V567 D568 L588 F589 V596 V625 | L565-L570 HydrophobicContact CD1-CD2 4.42Å; L565-L570 HydrophobicContact CD2-CD1 3.62Å; L565-L570 HydrophobicContact CD2-CD2 4.24Å; L565-L570 HydrophobicContact CG-CD1 3.87Å; P566-L570 WeakPolarHBondContact O-CD1 3.21Å; V567-L570 WeakPolarHBondContact O-CB 3.23Å; V567-L570 PolarHBondContact O-N 3.21Å; V567-L570 VanDerWaalsContact O-N 3.12Å; D568-L570 PolarHBondContact O-N 3.12Å; D568-L570 VanDerWaalsContact O-N 3.14Å; L570-L588 HydrophobicContact CD1-CD1 4.44Å; L570-F589 CarbonylContact C-O 3.52Å; L570-F589 WeakPolarHBondContact CA-O 3.41Å; L570-V596 HydrophobicContact CD2-CG1 3.99Å; L570-V596 HydrophobicContact CD2-CG2 4.21Å; L570-V625 HydrophobicContact CB-CG1 3.83Å; L570-V625 HydrophobicContact CB-CG2 3.99Å |
| 571 | K | 87.9 | Confident | 80.2 | Confident | 85 Ų | 85 | 82.7 Ų | 82.7 | 37% | 0.37 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 155.3 | 164 | -78.1 | -169.5 | -178.6 | -177.6 | 0 | 110.4 | L588 F589 T591 Y626 | K571-L588 CarbonylContact O-C 3.48Å; K571-L588 WeakPolarHBondContact O-CA 3.32Å; K571-F589 HydrophobicContact CB-CD1 4.26Å; K571-F589 HydrophobicContact CB-CE1 3.59Å; K571-F589 HydrophobicContact CB-CE2 4.08Å; K571-F589 HydrophobicContact CB-CZ 3.49Å; K571-F589 VanDerWaalsContact CB-CZ 3.49Å; K571-F589 HydrophobicContact CD-CZ 4.31Å; K571-F589 PolarHBondContact N-O 3.2Å; K571-F589 VanDerWaalsContact O-CD1 3.31Å; K571-F589 WeakPolarHBondContact O-CD1 3.19Å; K571-F589 PolarHBondContact O-N 2.98Å; K571-T591 HydrophobicContact CB-CG2 4.22Å; K571-T591 HydrophobicContact CD-CG2 3.54Å; K571-T591 HydrophobicContact CG-CG2 3.52Å; K571-Y626 CarbonylContact C-O 3.33Å; K571-Y626 VanDerWaalsContact CA-O 3.23Å; K571-Y626 WeakPolarHBondContact CA-O 3.42Å; K571-Y626 WeakPolarHBondContact CB-O 3.28Å; K571-Y626 WeakPolarHBondContact CG-O 3.29Å |
| 572 | L | 90.3 | Very high | 79.2 | Confident | 4 Ų | 4 | 82.6 Ų | 82.6 | 2% | 0.021 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 146.9 | 177.1 | -168 | 146 | 0 | 0 | 0 | 109.2 | F586 A587 L588 K617 F620 Y626 P627 E628 | L572-F586 HydrophobicContact CD1-CD2 3.51Å; L572-F586 HydrophobicContact CD1-CE2 3.89Å; L572-F586 HydrophobicContact CD1-CG 4.35Å; L572-F586 HydrophobicContact CD2-CB 4.15Å; L572-F586 HydrophobicContact CD2-CD2 4.38Å; L572-F586 HydrophobicContact CG-CB 4.46Å; L572-F586 HydrophobicContact CG-CD2 3.86Å; L572-A587 CarbonylContact C-O 3.36Å; L572-A587 VanDerWaalsContact CA-O 3.29Å; L572-A587 WeakPolarHBondContact CA-O 3.48Å; L572-L588 HydrophobicContact CB-CD2 4.16Å; L572-L588 HydrophobicContact CD1-CD2 4.09Å; L572-L588 HydrophobicContact CG-CD2 4.21Å; L572-K617 HydrophobicContact CD1-CB 4.42Å; L572-K617 HydrophobicContact CD1-CG 3.7Å; L572-K617 HydrophobicContact CD2-CD 4.23Å; L572-K617 HydrophobicContact CD2-CG 4.01Å; L572-F620 HydrophobicContact CD1-CB 4.42Å; L572-F620 HydrophobicContact CD1-CD2 4.25Å; L572-Y626 PolarHBondContact N-O 3.13Å; L572-P627 HydrophobicContact CD2-CB 4.43Å; L572-P627 CarbonylContact O-C 3.49Å; L572-P627 WeakPolarHBondContact O-CA 3.44Å; L572-E628 WeakPolarHBondContact O-CB 3.38Å; L572-E628 PolarHBondContact O-N 3.5Å |
| 573 | R | 88.7 | Confident | 78.6 | Confident | 75 Ų | 75 | 81.8 Ų | 81.8 | 28% | 0.283 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 151.4 | 166.3 | 60.8 | 176.1 | 56.5 | 168.1 | -6.1 | 109.7 | F586 A587 F589 E628 | R573-F586 WeakPolarHBondContact O-CA 3.41Å; R573-A587 HydrophobicContact CG-CB 3.9Å; R573-A587 PolarHBondContact N-O 3.34Å; R573-A587 PolarHBondContact O-N 2.74Å; R573-F589 HydrophobicContact CB-CD1 4.33Å; R573-F589 HydrophobicContact CB-CE1 3.94Å; R573-F589 HydrophobicContact CG-CD1 3.91Å; R573-F589 HydrophobicContact CG-CE1 4.02Å; R573-F589 VanDerWaalsContact NE-CD1 3.29Å; R573-E628 HydrophobicContact CB-CB 4.13Å; R573-E628 IonicContact CZ-OE1 3.92Å; R573-E628 IonicContact CZ-OE2 2.65Å; R573-E628 IonicContact NE-OE2 2.67Å; R573-E628 PolarHBondContact NE-OE2 3.42Å; R573-E628 IonicContact NH2-OE1 3.9Å; R573-E628 PolarHBondContact NH2-OE1 2.73Å; R573-E628 IonicContact NH2-OE2 2.81Å; R573-E628 PolarHBondContact NH2-OE2 3.45Å |
| 574 | D | 83.9 | Confident | 78.4 | Confident | 107 Ų | 107 | 80.3 Ų | 80.3 | 57% | 0.572 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 137.8 | 170.1 | -74.7 | -42.8 | 0 | 0 | 0 | 110 | K617 | D574-K617 VanDerWaalsContact CG-NZ 3.33Å; D574-K617 WeakPolarHBondContact OD1-CE 3.32Å; D574-K617 IonicContact OD1-NZ 3.77Å; D574-K617 PolarHBondContact OD1-NZ 2.86Å; D574-K617 IonicContact OD2-NZ 3.8Å; D574-K617 PolarHBondContact OD2-NZ 2.76Å |
| 575 | V | 81.6 | Confident | 78.3 | Confident | 38 Ų | 38 | 77 Ų | 77 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | trans | -108 | 125.9 | 175.7 | -178.6 | 0 | 0 | 0 | 0 | 107 | K577 I585 A587 E604 | V575-K577 PolarHBondContact O-N 2.82Å; V575-I585 HydrophobicContact CB-CB 4.3Å; V575-I585 HydrophobicContact CB-CG2 4.01Å; V575-I585 HydrophobicContact CG1-CG2 4.4Å; V575-I585 HydrophobicContact CG2-CG2 4.29Å; V575-A587 HydrophobicContact CG2-CB 3.51Å; V575-E604 HydrophobicContact CG2-CG 4.4Å | ||
| 576 | E | 69.6 | Low | 78.3 | Confident | 185 Ų | 185 | 76.4 Ų | 76.4 | 86% | 0.864 | 40% | 0.395 | S | S | * | . | trans | -58 | 133.5 | 178 | -70.9 | -176.6 | 174.6 | 0 | 0 | 110.7 | G578 | E576-G578 PolarHBondContact O-N 2.86Š| ||
| 577 | K | 63.6 | Low | 78.5 | Confident | 124 Ų | 124 | 72.8 Ų | 72.8 | 54% | 0.539 | 37% | 0.372 | S | S | . | . | trans | -63.7 | 109.4 | 179.1 | -171.3 | 174.9 | -176.6 | 171.5 | 0 | 108.7 | V575 S581 | V575-K577 PolarHBondContact O-N 2.82Å; K577-S581 WeakPolarHBondContact CE-O 3.36Å | ||
| 578 | G | 61.4 | Low | 78.7 | Confident | 43 Ų | 43 | 72.5 Ų | 72.5 | 44% | 0.443 | 37% | 0.37 | S | S | . | . | trans | -57.1 | 144.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | E576 M580 S581 | E576-G578 PolarHBondContact O-N 2.86Å; G578-M580 PolarHBondContact O-N 3Å; G578-S581 PolarHBondContact O-N 3.28Å | ||
| 579 | F | 53.3 | Low | 79 | Confident | 211 Ų | 211 | 67.8 Ų | 67.8 | 93% | 0.925 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -11.4 | -170.9 | -166.3 | -100.6 | 0 | 0 | 0 | 115.7 | ||
| 580 | M | 56.2 | Low | 79.2 | Confident | 182 Ų | 182 | 65.1 Ų | 65.1 | 90% | 0.897 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | 6.5 | 179 | -64.9 | -176.5 | 173.4 | 0 | 0 | 114.8 | G578 | G578-M580 PolarHBondContact O-N 3Š|
| 581 | S | 64.6 | Low | 78.8 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | trans | -90.3 | 124.4 | 179.1 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | K577 G578 K583 | K577-S581 WeakPolarHBondContact CE-O 3.36Å; G578-S581 PolarHBondContact O-N 3.28Å; S581-K583 PolarHBondContact OG-N 3.23Å; S581-K583 PolarHBondContact OG-O 3.4Å | ||
| 582 | S | 70.2 | Confident | 78.5 | Confident | 97 Ų | 97 | 68.3 Ų | 68.3 | 68% | 0.678 | 35% | 0.35 | S | S | * | . | trans | -79.9 | -22.4 | 170 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 583 | K | 77.4 | Confident | 77.7 | Confident | 64 Ų | 64 | 75.4 Ų | 75.4 | 28% | 0.278 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -83.2 | 147.5 | -175.9 | -63.6 | -170.6 | 172 | -167.8 | 0 | 112.4 | T527 S581 A606 C607 | T527-K583 PolarHBondContact OG1-NZ 2.96Å; S581-K583 PolarHBondContact OG-N 3.23Å; S581-K583 PolarHBondContact OG-O 3.4Å; K583-A606 HydrophobicContact CB-CB 4.05Å; K583-A606 HydrophobicContact CD-CB 4.22Å; K583-C607 WeakPolarHBondContact CB-O 3.49Å |
| 584 | H | 84.9 | Confident | 77.3 | Confident | 51 Ų | 51 | 79.2 Ų | 79.2 | 24% | 0.236 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.1 | 175.7 | -67.1 | -101.1 | 0 | 0 | 0 | 109.5 | A606 C607 Q610 V613 | H584-A606 CarbonylContact O-C 3.58Å; H584-A606 VanDerWaalsContact O-CA 3.26Å; H584-A606 WeakPolarHBondContact O-CA 3.1Å; H584-C607 PolarHBondContact N-O 3.23Å; H584-C607 PolarHBondContact O-N 2.87Å; H584-Q610 PolarHBondContact CE1-OE1 3.29Å; H584-Q610 PolarHBondContact ND1-OE1 3.47Å; H584-V613 HydrophobicContact CB-CG2 3.48Å; H584-V613 VanDerWaalsContact CB-CG2 3.48Å |
| 585 | I | 87.8 | Confident | 77.3 | Confident | 17 Ų | 17 | 78 Ų | 78 | 9% | 0.087 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 137 | -166.4 | -49.7 | 176.1 | 0 | 0 | 0 | 110.7 | N529 V575 E604 L605 A606 | N529-I585 WeakPolarHBondContact ND2-CD1 3.45Å; V575-I585 HydrophobicContact CB-CB 4.3Å; V575-I585 HydrophobicContact CB-CG2 4.01Å; V575-I585 HydrophobicContact CG1-CG2 4.4Å; V575-I585 HydrophobicContact CG2-CG2 4.29Å; I585-E604 HydrophobicContact CG2-CB 4.19Å; I585-L605 WeakPolarHBondContact CA-O 3.43Å; I585-A606 HydrophobicContact CG1-CB 3.9Å |
| 586 | F | 91.4 | Very high | 77.3 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 156.8 | 165.8 | 64.4 | -82.7 | 0 | 0 | 0 | 109.5 | L526 L572 R573 L605 V613 W616 F620 | L526-F586 HydrophobicContact CD2-CE1 4.49Å; L572-F586 HydrophobicContact CD1-CD2 3.51Å; L572-F586 HydrophobicContact CD1-CE2 3.89Å; L572-F586 HydrophobicContact CD1-CG 4.35Å; L572-F586 HydrophobicContact CD2-CB 4.15Å; L572-F586 HydrophobicContact CD2-CD2 4.38Å; L572-F586 HydrophobicContact CG-CB 4.46Å; L572-F586 HydrophobicContact CG-CD2 3.86Å; R573-F586 WeakPolarHBondContact O-CA 3.41Å; F586-L605 HydrophobicContact CD1-CB 4.45Å; F586-L605 HydrophobicContact CD2-CB 4.41Å; F586-L605 HydrophobicContact CE1-CB 3.97Å; F586-L605 HydrophobicContact CE2-CB 3.95Å; F586-L605 HydrophobicContact CE2-CD1 3.72Å; F586-L605 HydrophobicContact CE2-CG 4.39Å; F586-L605 HydrophobicContact CZ-CB 3.7Å; F586-L605 HydrophobicContact CZ-CD1 3.92Å; F586-L605 HydrophobicContact CZ-CG 4.46Å; F586-L605 PolarHBondContact N-O 2.99Å; F586-L605 PolarHBondContact O-N 3.43Å; F586-L605 VanDerWaalsContact O-O 3.09Å; F586-V613 HydrophobicContact CD1-CG1 3.87Å; F586-V613 HydrophobicContact CD1-CG2 4.25Å; F586-W616 HydrophobicContact CE1-CB 4.31Å; F586-W616 HydrophobicContact CZ-CB 4.04Å; F586-F620 AromaticContact CE2-CD2 3.96Å; F586-F620 HydrophobicContact CE2-CD2 3.96Å; F586-F620 AromaticContact CE2-CE2 3.64Å; F586-F620 HydrophobicContact CE2-CE2 3.64Å; F586-F620 HydrophobicContact CZ-CD2 4.37Å; F586-F620 AromaticContact CZ-CE2 3.89Å; F586-F620 HydrophobicContact CZ-CE2 3.89Å |
| 587 | A | 91.9 | Very high | 78 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 142 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | L572 R573 V575 Q602 L603 E604 | L572-A587 CarbonylContact C-O 3.36Å; L572-A587 VanDerWaalsContact CA-O 3.29Å; L572-A587 WeakPolarHBondContact CA-O 3.48Å; R573-A587 HydrophobicContact CG-CB 3.9Å; R573-A587 PolarHBondContact N-O 3.34Å; R573-A587 PolarHBondContact O-N 2.74Å; V575-A587 HydrophobicContact CG2-CB 3.51Å; A587-Q602 HydrophobicContact CB-CB 4.34Å; A587-Q602 HydrophobicContact CB-CG 4.42Å; A587-L603 CarbonylContact C-O 3.59Å; A587-L603 VanDerWaalsContact CA-O 3.28Å; A587-L603 WeakPolarHBondContact CA-O 3.32Å; A587-E604 HydrophobicContact CB-CG 4.03Å |
| 588 | L | 92.4 | Very high | 78.9 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 131.1 | 167.4 | -58.8 | 178.4 | 0 | 0 | 0 | 109.3 | L550 L570 K571 L572 Q602 L603 L605 F620 V625 | L550-L588 HydrophobicContact CD2-CD1 3.6Å; L570-L588 HydrophobicContact CD1-CD1 4.44Å; K571-L588 CarbonylContact O-C 3.48Å; K571-L588 WeakPolarHBondContact O-CA 3.32Å; L572-L588 HydrophobicContact CB-CD2 4.16Å; L572-L588 HydrophobicContact CD1-CD2 4.09Å; L572-L588 HydrophobicContact CG-CD2 4.21Å; L588-Q602 CarbonylContact O-C 3.36Å; L588-Q602 WeakPolarHBondContact O-CA 3.46Å; L588-L603 HydrophobicContact CB-CB 4.41Å; L588-L603 PolarHBondContact N-O 3.42Å; L588-L603 PolarHBondContact O-N 2.86Å; L588-L605 HydrophobicContact CD1-CD1 3.78Å; L588-L605 HydrophobicContact CG-CD1 4.11Å; L588-F620 HydrophobicContact CD1-CD1 4.47Å; L588-F620 HydrophobicContact CD1-CE1 3.72Å; L588-F620 HydrophobicContact CD1-CE2 4.42Å; L588-F620 HydrophobicContact CD1-CZ 3.7Å; L588-F620 HydrophobicContact CD2-CD1 4.42Å; L588-F620 HydrophobicContact CD2-CE1 4.42Å; L588-V625 HydrophobicContact CD2-CG1 3.93Å |
| 589 | F | 90.3 | Very high | 79.8 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 9% | 0.088 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 156 | 176.7 | 69.8 | -80.5 | 0 | 0 | 0 | 110.7 | L570 K571 R573 Q602 E628 | L570-F589 CarbonylContact C-O 3.52Å; L570-F589 WeakPolarHBondContact CA-O 3.41Å; K571-F589 HydrophobicContact CB-CD1 4.26Å; K571-F589 HydrophobicContact CB-CE1 3.59Å; K571-F589 HydrophobicContact CB-CE2 4.08Å; K571-F589 HydrophobicContact CB-CZ 3.49Å; K571-F589 VanDerWaalsContact CB-CZ 3.49Å; K571-F589 HydrophobicContact CD-CZ 4.31Å; K571-F589 PolarHBondContact N-O 3.2Å; K571-F589 VanDerWaalsContact O-CD1 3.31Å; K571-F589 WeakPolarHBondContact O-CD1 3.19Å; K571-F589 PolarHBondContact O-N 2.98Å; R573-F589 HydrophobicContact CB-CD1 4.33Å; R573-F589 HydrophobicContact CB-CE1 3.94Å; R573-F589 HydrophobicContact CG-CD1 3.91Å; R573-F589 HydrophobicContact CG-CE1 4.02Å; R573-F589 VanDerWaalsContact NE-CD1 3.29Å; F589-Q602 HydrophobicContact CB-CB 3.95Å; F589-E628 HydrophobicContact CE1-CB 3.89Å; F589-E628 HydrophobicContact CE1-CG 4.41Å; F589-E628 HydrophobicContact CZ-CB 3.8Å; F589-E628 VanDerWaalsContact CZ-CD 3.44Å; F589-E628 HydrophobicContact CZ-CG 3.9Å; F589-E628 WeakPolarHBondContact CZ-OE1 3.35Å |
| 590 | N | 87.8 | Confident | 81.2 | Confident | 24 Ų | 24 | 64.2 Ų | 64.2 | 13% | 0.128 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 131.8 | -179.8 | -169.7 | -70.8 | 0 | 0 | 0 | 110.3 | N569 E592 Q593 R594 V596 | N569-N590 CarbonylContact O-C 3.41Å; N569-N590 WeakPolarHBondContact O-CA 3.5Å; N590-E592 PolarHBondContact O-N 3.15Å; N590-E592 WeakPolarHBondContact OD1-CB 3.48Å; N590-E592 PolarHBondContact OD1-N 3.09Å; N590-Q593 PolarHBondContact O-N 3.49Å; N590-Q593 VanDerWaalsContact O-N 3.1Å; N590-R594 HydrophobicContact CB-CB 4.35Å; N590-V596 HydrophobicContact CB-CG2 3.77Å |
| 591 | T | 80.1 | Confident | 82.5 | Confident | 62 Ų | 62 | 63.8 Ų | 63.8 | 38% | 0.38 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -24.2 | -178 | 52 | 0 | 0 | 0 | 0 | 113.8 | N569 K571 Q593 | N569-T591 PolarHBondContact O-N 3.01Å; N569-T591 PolarHBondContact O-OG1 3.4Å; K571-T591 HydrophobicContact CB-CG2 4.22Å; K571-T591 HydrophobicContact CD-CG2 3.54Å; K571-T591 HydrophobicContact CG-CG2 3.52Å; T591-Q593 PolarHBondContact O-N 2.85Å |
| 592 | E | 81.4 | Confident | 83.7 | Confident | 95 Ų | 95 | 64.5 Ų | 64.5 | 44% | 0.444 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 13.5 | 175.7 | -57.1 | -173.6 | 172.6 | 0 | 0 | 112.8 | N569 N590 R594 | N569-E592 PolarHBondContact ND2-OE1 3.35Å; N590-E592 PolarHBondContact O-N 3.15Å; N590-E592 WeakPolarHBondContact OD1-CB 3.48Å; N590-E592 PolarHBondContact OD1-N 3.09Å; E592-R594 HydrophobicContact CB-CG 4.2Å; E592-R594 PolarHBondContact O-N 2.79Å; E592-R594 VanDerWaalsContact O-N 3.16Å; E592-R594 IonicContact OE2-CZ 3.91Å; E592-R594 IonicContact OE2-NE 2.83Å; E592-R594 PolarHBondContact OE2-NE 2.97Å; E592-R594 IonicContact OE2-NH2 3.33Å; E592-R594 PolarHBondContact OE2-NH2 3.46Å |
| 593 | Q | 73.4 | Confident | 84.7 | Confident | 153 Ų | 153 | 59.9 Ų | 59.9 | 72% | 0.715 | 27% | 0.272 | S | S | * | . | trans | 58.3 | 22.1 | -176.9 | -53.5 | -170.3 | 11.8 | 0 | 0 | 114.8 | N590 T591 | N590-Q593 PolarHBondContact O-N 3.49Å; N590-Q593 VanDerWaalsContact O-N 3.1Å; T591-Q593 PolarHBondContact O-N 2.85Å | ||
| 594 | R | 80.3 | Confident | 85.3 | Confident | 156 Ų | 156 | 58.5 Ų | 58.5 | 59% | 0.589 | 27% | 0.267 | S | S | * | . | trans | -76 | 154.1 | 172.6 | -59.3 | -174.5 | -166.6 | -156.4 | 5 | 110.7 | N590 E592 V596 | N590-R594 HydrophobicContact CB-CB 4.35Å; E592-R594 HydrophobicContact CB-CG 4.2Å; E592-R594 PolarHBondContact O-N 2.79Å; E592-R594 VanDerWaalsContact O-N 3.16Å; E592-R594 IonicContact OE2-CZ 3.91Å; E592-R594 IonicContact OE2-NE 2.83Å; E592-R594 PolarHBondContact OE2-NE 2.97Å; E592-R594 IonicContact OE2-NH2 3.33Å; E592-R594 PolarHBondContact OE2-NH2 3.46Å; R594-V596 PolarHBondContact O-N 3.27Å | ||
| 595 | N | 83 | Confident | 85.7 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | trans | -65.1 | 130.2 | 171.7 | -66.7 | -16.1 | 0 | 0 | 0 | 109.9 | K598 Y600 R601 | N595-K598 WeakPolarHBondContact CB-O 3.49Å; N595-K598 PolarHBondContact ND2-O 3.34Å; N595-Y600 CarbonylContact C-O 3.53Å; N595-Y600 WeakPolarHBondContact CA-O 3.47Å; N595-R601 WeakPolarHBondContact OD1-CG 3.16Å | ||
| 596 | V | 82.6 | Confident | 85.8 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -86.4 | -36.7 | -178.2 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | L565 L570 N590 R594 Y600 R601 L603 | L565-V596 HydrophobicContact CD1-CG1 3.93Å; L565-V596 VanDerWaalsContact CD1-O 3.31Å; L565-V596 WeakPolarHBondContact CD1-O 3.39Å; L565-V596 HydrophobicContact CD2-CG1 3.46Å; L565-V596 VanDerWaalsContact CD2-CG1 3.46Å; L565-V596 HydrophobicContact CG-CG1 4.34Å; L570-V596 HydrophobicContact CD2-CG1 3.99Å; L570-V596 HydrophobicContact CD2-CG2 4.21Å; N590-V596 HydrophobicContact CB-CG2 3.77Å; R594-V596 PolarHBondContact O-N 3.27Å; V596-Y600 PolarHBondContact N-O 3.27Å; V596-R601 WeakPolarHBondContact CG2-O 3.43Å; V596-L603 HydrophobicContact CG1-CB 3.91Å |
| 597 | Y | 83.9 | Confident | 85.7 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -144.4 | 114.9 | 178.1 | 177.2 | -120 | 0 | 0 | 0 | 110.4 | I531 W552 Y563 D599 Y600 L603 | I531-Y597 HydrophobicContact CG1-CE1 4.31Å; W552-Y597 AromaticContact CH2-CD2 3.7Å; W552-Y597 HydrophobicContact CH2-CD2 3.7Å; W552-Y597 HydrophobicContact CH2-CE2 4.08Å; W552-Y597 HydrophobicContact CH2-CG 4.22Å; W552-Y597 AromaticContact CZ2-CD2 3.53Å; W552-Y597 HydrophobicContact CZ2-CD2 3.53Å; W552-Y597 AromaticContact CZ2-CE2 3.42Å; W552-Y597 HydrophobicContact CZ2-CE2 3.42Å; W552-Y597 VanDerWaalsContact CZ2-CE2 3.42Å; W552-Y597 HydrophobicContact CZ2-CG 4.17Å; W552-Y597 AromaticContact CZ2-CZ 3.95Å; Y563-Y597 AromaticContact CD1-CD2 3.91Å; Y563-Y597 HydrophobicContact CD1-CD2 3.91Å; Y563-Y597 HydrophobicContact CD1-CE2 4.32Å; Y563-Y597 AromaticContact CD2-CD2 3.97Å; Y563-Y597 HydrophobicContact CD2-CD2 3.97Å; Y563-Y597 AromaticContact CD2-CE2 3.78Å; Y563-Y597 HydrophobicContact CD2-CE2 3.78Å; Y563-Y597 AromaticContact CE1-CD2 3.91Å; Y563-Y597 HydrophobicContact CE1-CD2 3.91Å; Y563-Y597 AromaticContact CE2-CD2 4Å; Y563-Y597 HydrophobicContact CE2-CD2 4Å; Y563-Y597 HydrophobicContact CE2-CE2 4.15Å; Y563-Y597 AromaticContact CG-CD2 3.92Å; Y563-Y597 HydrophobicContact CG-CD2 3.92Å; Y563-Y597 AromaticContact CG-CE2 3.86Å; Y563-Y597 HydrophobicContact CG-CE2 3.86Å; Y563-Y597 AromaticContact CZ-CD2 3.96Å; Y597-D599 PolarHBondContact O-N 3.5Å; Y597-D599 VanDerWaalsContact O-N 3.17Å; Y597-Y600 HydrophobicContact CD1-CD2 4.28Å; Y597-Y600 PolarHBondContact N-O 3.2Å; Y597-Y600 VanDerWaalsContact O-CB 3.3Å; Y597-Y600 WeakPolarHBondContact O-CB 3.43Å; Y597-Y600 WeakPolarHBondContact O-CD2 3.35Å; Y597-Y600 PolarHBondContact O-N 2.77Å; Y597-L603 HydrophobicContact CD1-CD1 4.04Å; Y597-L603 HydrophobicContact CG-CD1 4.17Å |
| 598 | K | 82.3 | Confident | 85.4 | Confident | 99 Ų | 99 | 62.9 Ų | 62.9 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | -118.3 | -176.3 | -62.5 | 173 | 173 | 160.6 | 0 | 111.2 | N595 | N595-K598 WeakPolarHBondContact CB-O 3.49Å; N595-K598 PolarHBondContact ND2-O 3.34Å |
| 599 | D | 81.4 | Confident | 85.1 | Confident | 126 Ų | 126 | 64.7 Ų | 64.7 | 67% | 0.674 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 1.6 | -179.6 | -51.1 | -51.9 | 0 | 0 | 0 | 112.3 | Y597 | Y597-D599 PolarHBondContact O-N 3.5Å; Y597-D599 VanDerWaalsContact O-N 3.17Å |
| 600 | Y | 82.4 | Confident | 84.7 | Confident | 73 Ų | 73 | 67.8 Ų | 67.8 | 29% | 0.286 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -92.2 | 126.4 | -176.5 | -60.5 | -83 | 0 | 0 | 0 | 111.8 | N530 G532 N595 V596 Y597 Q602 | N530-Y600 WeakPolarHBondContact O-CE1 3.35Å; N530-Y600 PolarHBondContact O-OH 3.31Å; G532-Y600 PolarHBondContact N-OH 2.78Å; N595-Y600 CarbonylContact C-O 3.53Å; N595-Y600 WeakPolarHBondContact CA-O 3.47Å; V596-Y600 PolarHBondContact N-O 3.27Å; Y597-Y600 HydrophobicContact CD1-CD2 4.28Å; Y597-Y600 PolarHBondContact N-O 3.2Å; Y597-Y600 VanDerWaalsContact O-CB 3.3Å; Y597-Y600 WeakPolarHBondContact O-CB 3.43Å; Y597-Y600 WeakPolarHBondContact O-CD2 3.35Å; Y597-Y600 PolarHBondContact O-N 2.77Å; Y600-Q602 WeakPolarHBondContact CB-O 3.37Å; Y600-Q602 PolarHBondContact O-N 3.19Å |
| 601 | R | 84.1 | Confident | 84.4 | Confident | 173 Ų | 173 | 73 Ų | 73 | 65% | 0.653 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -71.5 | -15.3 | 174.9 | -69.2 | -174.7 | 178.2 | -175.3 | -1.4 | 114.2 | N595 V596 | N595-R601 WeakPolarHBondContact OD1-CG 3.16Å; V596-R601 WeakPolarHBondContact CG2-O 3.43Å |
| 602 | Q | 88.4 | Confident | 84.8 | Confident | 51 Ų | 51 | 73.1 Ų | 73.1 | 24% | 0.238 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 154.4 | 174.3 | 69.5 | -173.3 | 28.3 | 0 | 0 | 109.6 | N530 A587 L588 F589 Y600 E604 | N530-Q602 PolarHBondContact ND2-O 2.88Å; A587-Q602 HydrophobicContact CB-CB 4.34Å; A587-Q602 HydrophobicContact CB-CG 4.42Å; L588-Q602 CarbonylContact O-C 3.36Å; L588-Q602 WeakPolarHBondContact O-CA 3.46Å; F589-Q602 HydrophobicContact CB-CB 3.95Å; Y600-Q602 WeakPolarHBondContact CB-O 3.37Å; Y600-Q602 PolarHBondContact O-N 3.19Å; Q602-E604 HydrophobicContact CG-CG 4.49Å; Q602-E604 PolarHBondContact NE2-OE1 3.45Å |
| 603 | L | 90.8 | Very high | 85 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 110.2 | 175.1 | 177.7 | 68 | 0 | 0 | 0 | 108 | I528 W552 L565 A587 L588 V596 Y597 L605 | I528-L603 HydrophobicContact CD1-CD1 4.18Å; I528-L603 HydrophobicContact CG1-CD1 4.29Å; I528-L603 HydrophobicContact CG2-CD1 3.6Å; W552-L603 HydrophobicContact CH2-CD1 4.5Å; W552-L603 HydrophobicContact CH2-CD2 3.87Å; W552-L603 HydrophobicContact CZ3-CD2 3.94Å; L565-L603 HydrophobicContact CD2-CD2 4.25Å; A587-L603 CarbonylContact C-O 3.59Å; A587-L603 VanDerWaalsContact CA-O 3.28Å; A587-L603 WeakPolarHBondContact CA-O 3.32Å; L588-L603 HydrophobicContact CB-CB 4.41Å; L588-L603 PolarHBondContact N-O 3.42Å; L588-L603 PolarHBondContact O-N 2.86Å; V596-L603 HydrophobicContact CG1-CB 3.91Å; Y597-L603 HydrophobicContact CD1-CD1 4.04Å; Y597-L603 HydrophobicContact CG-CD1 4.17Å; L603-L605 HydrophobicContact CD2-CD2 4.14Å; L603-L605 HydrophobicContact CG-CD2 4.02Å; L603-L605 HydrophobicContact CG-CG 4.29Å |
| 604 | E | 91.1 | Very high | 85.5 | Confident | 35 Ų | 35 | 65.2 Ų | 65.2 | 16% | 0.164 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 122.5 | 180 | -71.8 | 172.9 | -153.2 | 0 | 0 | 110.6 | I528 N529 N530 V575 I585 A587 Q602 | I528-E604 CarbonylContact C-O 3.55Å; I528-E604 WeakPolarHBondContact CA-O 3.46Å; N529-E604 HydrophobicContact CB-CB 4.04Å; N529-E604 PolarHBondContact N-O 3.38Å; N530-E604 HydrophobicContact CB-CB 4.04Å; N530-E604 HydrophobicContact CB-CG 4.15Å; V575-E604 HydrophobicContact CG2-CG 4.4Å; I585-E604 HydrophobicContact CG2-CB 4.19Å; A587-E604 HydrophobicContact CB-CG 4.03Å; Q602-E604 HydrophobicContact CG-CG 4.49Å; Q602-E604 PolarHBondContact NE2-OE1 3.45Å |
| 605 | L | 92.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.7 | -177.6 | -59.8 | 174.3 | 0 | 0 | 0 | 109 | L526 T527 I528 F543 L550 I585 F586 L588 L603 F620 | L526-L605 HydrophobicContact CD1-CD1 4.17Å; T527-L605 CarbonylContact O-C 3.51Å; T527-L605 WeakPolarHBondContact O-CA 3.38Å; I528-L605 HydrophobicContact CG1-CD2 4Å; F543-L605 HydrophobicContact CE1-CD2 3.91Å; F543-L605 HydrophobicContact CE2-CD2 4.34Å; F543-L605 HydrophobicContact CZ-CD2 3.55Å; L550-L605 HydrophobicContact CD2-CD1 4.46Å; I585-L605 WeakPolarHBondContact CA-O 3.43Å; F586-L605 HydrophobicContact CD1-CB 4.45Å; F586-L605 HydrophobicContact CD2-CB 4.41Å; F586-L605 HydrophobicContact CE1-CB 3.97Å; F586-L605 HydrophobicContact CE2-CB 3.95Å; F586-L605 HydrophobicContact CE2-CD1 3.72Å; F586-L605 HydrophobicContact CE2-CG 4.39Å; F586-L605 HydrophobicContact CZ-CB 3.7Å; F586-L605 HydrophobicContact CZ-CD1 3.92Å; F586-L605 HydrophobicContact CZ-CG 4.46Å; F586-L605 PolarHBondContact N-O 2.99Å; F586-L605 PolarHBondContact O-N 3.43Å; F586-L605 VanDerWaalsContact O-O 3.09Å; L588-L605 HydrophobicContact CD1-CD1 3.78Å; L588-L605 HydrophobicContact CG-CD1 4.11Å; L603-L605 HydrophobicContact CD2-CD2 4.14Å; L603-L605 HydrophobicContact CG-CD2 4.02Å; L603-L605 HydrophobicContact CG-CG 4.29Å; L605-F620 HydrophobicContact CD1-CE2 4.31Å; L605-F620 HydrophobicContact CD1-CZ 4.19Å |
| 606 | A | 90.2 | Very high | 86 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | T527 K583 H584 I585 | T527-A606 PolarHBondContact N-O 3.14Å; T527-A606 VanDerWaalsContact N-O 3.08Å; T527-A606 PolarHBondContact O-N 3.43Å; K583-A606 HydrophobicContact CB-CB 4.05Å; K583-A606 HydrophobicContact CD-CB 4.22Å; H584-A606 CarbonylContact O-C 3.58Å; H584-A606 VanDerWaalsContact O-CA 3.26Å; H584-A606 WeakPolarHBondContact O-CA 3.1Å; I585-A606 HydrophobicContact CG1-CB 3.9Å |
| 607 | C | 90.6 | Very high | 86.3 | Confident | 9 Ų | 9 | 57.1 Ų | 57.1 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 163.6 | 174.8 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | L526 K583 H584 D612 V613 | L526-C607 WeakPolarHBondContact CD2-SG 3.45Å; K583-C607 WeakPolarHBondContact CB-O 3.49Å; H584-C607 PolarHBondContact N-O 3.23Å; H584-C607 PolarHBondContact O-N 2.87Å; C607-D612 HydrophobicContact CB-CB 3.7Å; C607-V613 HydrophobicContact CB-CG2 3.69Å |
| 608 | E | 85.4 | Confident | 85.9 | Confident | 149 Ų | 149 | 58.8 Ų | 58.8 | 70% | 0.696 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -76.3 | -37.7 | 178.3 | -59.4 | -165.7 | 154.3 | 0 | 0 | 112.6 | ||
| 609 | S | 85.8 | Confident | 86.1 | Confident | 38 Ų | 38 | 54 Ų | 54 | 27% | 0.266 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -117.7 | 156.9 | -179 | 77.5 | 0 | 0 | 0 | 0 | 112.7 | E611 D612 V613 | S609-E611 VanDerWaalsContact C-N 3.26Å; S609-E611 PolarHBondContact O-N 3.05Å; S609-D612 PolarHBondContact O-N 3.22Å; S609-D612 WeakPolarHBondContact OG-CB 3.3Å; S609-D612 PolarHBondContact OG-N 3.11Å; S609-D612 PolarHBondContact OG-OD2 2.94Å; S609-V613 PolarHBondContact O-N 3.42Å |
| 610 | Q | 82.5 | Confident | 86.4 | Confident | 85 Ų | 85 | 48 Ų | 48 | 40% | 0.397 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.2 | -34.7 | 171 | -175.3 | 60.3 | 46.7 | 0 | 0 | 111.5 | H584 D612 V613 D614 | H584-Q610 PolarHBondContact CE1-OE1 3.29Å; H584-Q610 PolarHBondContact ND1-OE1 3.47Å; Q610-D612 VanDerWaalsContact C-N 3.35Å; Q610-D612 PolarHBondContact O-N 3.43Å; Q610-V613 WeakPolarHBondContact O-CB 3.47Å; Q610-V613 PolarHBondContact O-N 3.43Å; Q610-D614 PolarHBondContact NE2-OD1 3.49Å; Q610-D614 VanDerWaalsContact O-CG 3.29Å; Q610-D614 PolarHBondContact O-N 2.99Å |
| 611 | E | 80.8 | Confident | 86.2 | Confident | 134 Ų | 134 | 47.7 Ų | 47.7 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -63 | -40.6 | 178 | -174.7 | 170.1 | -162.4 | 0 | 0 | 111.7 | S609 D614 A615 | S609-E611 VanDerWaalsContact C-N 3.26Å; S609-E611 PolarHBondContact O-N 3.05Å; E611-D614 PolarHBondContact O-N 2.78Å; E611-A615 VanDerWaalsContact O-CB 3.3Å; E611-A615 WeakPolarHBondContact O-CB 3.39Å; E611-A615 PolarHBondContact O-N 3.01Å |
| 612 | D | 88 | Confident | 85.6 | Confident | 64 Ų | 64 | 47 Ų | 47 | 34% | 0.342 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65 | -39.7 | 174.9 | -70.5 | -48.5 | 0 | 0 | 0 | 112.2 | C607 S609 Q610 D614 A615 W616 | C607-D612 HydrophobicContact CB-CB 3.7Å; S609-D612 PolarHBondContact O-N 3.22Å; S609-D612 WeakPolarHBondContact OG-CB 3.3Å; S609-D612 PolarHBondContact OG-N 3.11Å; S609-D612 PolarHBondContact OG-OD2 2.94Å; Q610-D612 VanDerWaalsContact C-N 3.35Å; Q610-D612 PolarHBondContact O-N 3.43Å; D612-D614 VanDerWaalsContact C-N 3.34Å; D612-A615 PolarHBondContact O-N 3.23Å; D612-W616 WeakPolarHBondContact O-CB 3.41Å; D612-W616 PolarHBondContact O-N 2.84Å |
| 613 | V | 86.3 | Confident | 85 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -47.8 | 174 | 170.2 | 0 | 0 | 0 | 0 | 110.3 | H584 F586 C607 S609 Q610 A615 W616 K617 | H584-V613 HydrophobicContact CB-CG2 3.48Å; H584-V613 VanDerWaalsContact CB-CG2 3.48Å; F586-V613 HydrophobicContact CD1-CG1 3.87Å; F586-V613 HydrophobicContact CD1-CG2 4.25Å; C607-V613 HydrophobicContact CB-CG2 3.69Å; S609-V613 PolarHBondContact O-N 3.42Å; Q610-V613 WeakPolarHBondContact O-CB 3.47Å; Q610-V613 PolarHBondContact O-N 3.43Å; V613-A615 VanDerWaalsContact C-N 3.32Å; V613-A615 PolarHBondContact O-N 3.46Å; V613-W616 PolarHBondContact O-N 2.84Å; V613-K617 HydrophobicContact CG1-CD 3.92Å; V613-K617 VanDerWaalsContact CG1-CE 3.5Å; V613-K617 HydrophobicContact CG1-CG 4.31Å; V613-K617 WeakPolarHBondContact O-CB 3.39Å; V613-K617 VanDerWaalsContact O-CG 3.29Å; V613-K617 WeakPolarHBondContact O-CG 3.49Å; V613-K617 PolarHBondContact O-N 3.19Å |
| 614 | D | 83.9 | Confident | 84.4 | Confident | 80 Ų | 80 | 46.6 Ų | 46.6 | 43% | 0.428 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.6 | -38.3 | -178.8 | -65 | -18.8 | 0 | 0 | 0 | 111.3 | Q610 E611 D612 K617 A618 | Q610-D614 PolarHBondContact NE2-OD1 3.49Å; Q610-D614 VanDerWaalsContact O-CG 3.29Å; Q610-D614 PolarHBondContact O-N 2.99Å; E611-D614 PolarHBondContact O-N 2.78Å; D612-D614 VanDerWaalsContact C-N 3.34Å; D614-K617 PolarHBondContact O-N 2.94Å; D614-A618 WeakPolarHBondContact O-CB 3.3Å; D614-A618 PolarHBondContact O-N 3.3Å |
| 615 | A | 81.3 | Confident | 84.1 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 24% | 0.24 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.3 | -35.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R522 E611 D612 V613 S619 | R522-A615 VanDerWaalsContact NH1-CB 3.32Å; R522-A615 PolarHBondContact NH1-O 2.91Å; E611-A615 VanDerWaalsContact O-CB 3.3Å; E611-A615 WeakPolarHBondContact O-CB 3.39Å; E611-A615 PolarHBondContact O-N 3.01Å; D612-A615 PolarHBondContact O-N 3.23Å; V613-A615 VanDerWaalsContact C-N 3.32Å; V613-A615 PolarHBondContact O-N 3.46Å; A615-S619 PolarHBondContact O-N 2.83Å; A615-S619 PolarHBondContact O-OG 3.39Å |
| 616 | W | 91.9 | Very high | 83.4 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72 | -43.3 | 172.7 | -87.7 | 106.2 | 0 | 0 | 0 | 112.3 | R522 L526 F543 L545 F586 D612 V613 A618 S619 F620 | R522-W616 HydrophobicContact CB-CZ3 4.35Å; R522-W616 HydrophobicContact CG-CE3 4.41Å; R522-W616 HydrophobicContact CG-CH2 4.11Å; R522-W616 HydrophobicContact CG-CZ2 4.36Å; R522-W616 HydrophobicContact CG-CZ3 4.14Å; L526-W616 HydrophobicContact CD1-CD2 3.73Å; L526-W616 HydrophobicContact CD1-CE3 3.86Å; L526-W616 HydrophobicContact CD1-CG 4.35Å; L526-W616 HydrophobicContact CD1-CH2 3.94Å; L526-W616 HydrophobicContact CD1-CZ2 3.79Å; L526-W616 HydrophobicContact CD1-CZ3 3.97Å; L526-W616 HydrophobicContact CD2-CD2 4.13Å; L526-W616 HydrophobicContact CD2-CG 4.02Å; L526-W616 HydrophobicContact CD2-CZ2 4.47Å; L526-W616 HydrophobicContact CG-CD2 4.11Å; L526-W616 HydrophobicContact CG-CH2 4.4Å; L526-W616 HydrophobicContact CG-CZ2 3.78Å; F543-W616 HydrophobicContact CB-CH2 3.63Å; F543-W616 HydrophobicContact CB-CZ2 4.31Å; F543-W616 HydrophobicContact CB-CZ3 4.28Å; L545-W616 HydrophobicContact CB-CZ3 4.23Å; F586-W616 HydrophobicContact CE1-CB 4.31Å; F586-W616 HydrophobicContact CZ-CB 4.04Å; D612-W616 WeakPolarHBondContact O-CB 3.41Å; D612-W616 PolarHBondContact O-N 2.84Å; V613-W616 PolarHBondContact O-N 2.84Å; W616-A618 VanDerWaalsContact C-N 3.29Å; W616-A618 PolarHBondContact O-N 2.82Å; W616-S619 PolarHBondContact O-N 2.96Å; W616-S619 VanDerWaalsContact O-N 3.1Å; W616-F620 HydrophobicContact CE3-CE2 4.01Å; W616-F620 WeakPolarHBondContact O-CD2 3.35Å; W616-F620 PolarHBondContact O-N 3.36Å |
| 617 | K | 89.1 | Confident | 83.1 | Confident | 35 Ų | 35 | 53.8 Ų | 53.8 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.7 | -44.7 | 172.2 | -76.4 | 174.9 | 175.8 | -179.4 | 0 | 111.3 | L572 D574 V613 D614 S619 F620 L621 | L572-K617 HydrophobicContact CD1-CB 4.42Å; L572-K617 HydrophobicContact CD1-CG 3.7Å; L572-K617 HydrophobicContact CD2-CD 4.23Å; L572-K617 HydrophobicContact CD2-CG 4.01Å; D574-K617 VanDerWaalsContact CG-NZ 3.33Å; D574-K617 WeakPolarHBondContact OD1-CE 3.32Å; D574-K617 IonicContact OD1-NZ 3.77Å; D574-K617 PolarHBondContact OD1-NZ 2.86Å; D574-K617 IonicContact OD2-NZ 3.8Å; D574-K617 PolarHBondContact OD2-NZ 2.76Å; V613-K617 HydrophobicContact CG1-CD 3.92Å; V613-K617 VanDerWaalsContact CG1-CE 3.5Å; V613-K617 HydrophobicContact CG1-CG 4.31Å; V613-K617 WeakPolarHBondContact O-CB 3.39Å; V613-K617 VanDerWaalsContact O-CG 3.29Å; V613-K617 WeakPolarHBondContact O-CG 3.49Å; V613-K617 PolarHBondContact O-N 3.19Å; D614-K617 PolarHBondContact O-N 2.94Å; K617-S619 VanDerWaalsContact C-N 3.3Å; K617-S619 PolarHBondContact O-N 2.96Å; K617-F620 PolarHBondContact O-N 3.18Å; K617-L621 WeakPolarHBondContact O-CG 3.48Å; K617-L621 PolarHBondContact O-N 3.31Å |
| 618 | A | 76.5 | Confident | 82.5 | Confident | 43 Ų | 43 | 57.1 Ų | 57.1 | 36% | 0.355 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D614 W616 L621 R622 | D614-A618 WeakPolarHBondContact O-CB 3.3Å; D614-A618 PolarHBondContact O-N 3.3Å; W616-A618 VanDerWaalsContact C-N 3.29Å; W616-A618 PolarHBondContact O-N 2.82Å; A618-L621 WeakPolarHBondContact O-CB 3.26Å; A618-L621 PolarHBondContact O-N 3.11Å; A618-R622 WeakPolarHBondContact O-CG 3.2Å; A618-R622 PolarHBondContact O-N 2.94Å; A618-R622 VanDerWaalsContact O-N 3.15Å |
| 619 | S | 85.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.5 | -38.1 | 175.9 | -65.8 | 0 | 0 | 0 | 0 | 113.1 | R522 L545 A615 W616 K617 L621 R622 A623 | R522-S619 VanDerWaalsContact CD-OG 3.22Å; R522-S619 WeakPolarHBondContact CD-OG 3.46Å; L545-S619 VanDerWaalsContact CD2-C 3.4Å; L545-S619 WeakPolarHBondContact CD2-O 3.46Å; A615-S619 PolarHBondContact O-N 2.83Å; A615-S619 PolarHBondContact O-OG 3.39Å; W616-S619 PolarHBondContact O-N 2.96Å; W616-S619 VanDerWaalsContact O-N 3.1Å; K617-S619 VanDerWaalsContact C-N 3.3Å; K617-S619 PolarHBondContact O-N 2.96Å; S619-L621 VanDerWaalsContact C-N 3.31Å; S619-L621 PolarHBondContact O-N 3.25Å; S619-R622 WeakPolarHBondContact O-CB 3.41Å; S619-R622 PolarHBondContact O-N 2.87Å; S619-R622 PolarHBondContact OG-NH2 3.47Å; S619-R622 VanDerWaalsContact OG-NH2 3.1Å; S619-A623 PolarHBondContact O-N 2.81Å; S619-A623 VanDerWaalsContact O-N 3.14Å |
| 620 | F | 88.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62 | -38.4 | 173 | -83.5 | -61.5 | 0 | 0 | 0 | 112.4 | L545 L550 L572 F586 L588 L605 W616 K617 R622 A623 G624 V625 | L545-F620 HydrophobicContact CD1-CD1 3.96Å; L545-F620 HydrophobicContact CD1-CE1 3.79Å; L545-F620 HydrophobicContact CD2-CD1 3.83Å; L545-F620 HydrophobicContact CD2-CE1 4.05Å; L545-F620 HydrophobicContact CD2-CG 4.13Å; L550-F620 HydrophobicContact CB-CE1 4.4Å; L550-F620 HydrophobicContact CD1-CE1 3.77Å; L550-F620 HydrophobicContact CD1-CZ 3.66Å; L550-F620 HydrophobicContact CD2-CE1 3.76Å; L550-F620 HydrophobicContact CD2-CZ 3.64Å; L550-F620 HydrophobicContact CG-CE1 4.18Å; L550-F620 HydrophobicContact CG-CZ 4.23Å; L572-F620 HydrophobicContact CD1-CB 4.42Å; L572-F620 HydrophobicContact CD1-CD2 4.25Å; F586-F620 AromaticContact CE2-CD2 3.96Å; F586-F620 HydrophobicContact CE2-CD2 3.96Å; F586-F620 AromaticContact CE2-CE2 3.64Å; F586-F620 HydrophobicContact CE2-CE2 3.64Å; F586-F620 HydrophobicContact CZ-CD2 4.37Å; F586-F620 AromaticContact CZ-CE2 3.89Å; F586-F620 HydrophobicContact CZ-CE2 3.89Å; L588-F620 HydrophobicContact CD1-CD1 4.47Å; L588-F620 HydrophobicContact CD1-CE1 3.72Å; L588-F620 HydrophobicContact CD1-CE2 4.42Å; L588-F620 HydrophobicContact CD1-CZ 3.7Å; L588-F620 HydrophobicContact CD2-CD1 4.42Å; L588-F620 HydrophobicContact CD2-CE1 4.42Å; L605-F620 HydrophobicContact CD1-CE2 4.31Å; L605-F620 HydrophobicContact CD1-CZ 4.19Å; W616-F620 HydrophobicContact CE3-CE2 4.01Å; W616-F620 WeakPolarHBondContact O-CD2 3.35Å; W616-F620 PolarHBondContact O-N 3.36Å; K617-F620 PolarHBondContact O-N 3.18Å; F620-R622 PolarHBondContact O-N 2.7Å; F620-A623 CarbonylContact O-C 3.55Å; F620-A623 WeakPolarHBondContact O-CA 3.26Å; F620-A623 WeakPolarHBondContact O-CB 3.3Å; F620-A623 PolarHBondContact O-N 2.84Å; F620-G624 PolarHBondContact O-N 3.31Å; F620-V625 CarbonylContact C-O 3.54Å; F620-V625 HydrophobicContact CB-CB 4.03Å; F620-V625 HydrophobicContact CB-CG1 4.38Å; F620-V625 HydrophobicContact CD1-CB 4.18Å; F620-V625 HydrophobicContact CD1-CG1 4.36Å; F620-V625 HydrophobicContact CD1-CG2 4.23Å; F620-V625 WeakPolarHBondContact O-CB 3.4Å; F620-V625 PolarHBondContact O-N 3.46Å |
| 621 | L | 77.8 | Confident | 77.3 | Confident | 66 Ų | 66 | 64 Ų | 64 | 35% | 0.346 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 172.9 | -72.2 | 168.1 | 0 | 0 | 0 | 112.1 | K617 A618 S619 A623 G624 Y626 | K617-L621 WeakPolarHBondContact O-CG 3.48Å; K617-L621 PolarHBondContact O-N 3.31Å; A618-L621 WeakPolarHBondContact O-CB 3.26Å; A618-L621 PolarHBondContact O-N 3.11Å; S619-L621 VanDerWaalsContact C-N 3.31Å; S619-L621 PolarHBondContact O-N 3.25Å; L621-A623 PolarHBondContact O-N 2.77Å; L621-G624 PolarHBondContact O-N 3.23Å; L621-Y626 HydrophobicContact CD2-CD1 3.51Å; L621-Y626 HydrophobicContact CD2-CE1 4.09Å; L621-Y626 HydrophobicContact CD2-CG 4.28Å |
| 622 | R | 70.9 | Confident | 75 | Confident | 158 Ų | 158 | 65.7 Ų | 65.7 | 60% | 0.596 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.8 | -26.4 | 172.9 | -67 | -168 | -59.4 | -125.7 | 12.7 | 112.9 | I521 A618 S619 F620 G624 | I521-R622 HydrophobicContact CD1-CB 4.37Å; I521-R622 HydrophobicContact CG2-CB 3.9Å; I521-R622 PolarHBondContact O-NH2 2.89Å; A618-R622 WeakPolarHBondContact O-CG 3.2Å; A618-R622 PolarHBondContact O-N 2.94Å; A618-R622 VanDerWaalsContact O-N 3.15Å; S619-R622 WeakPolarHBondContact O-CB 3.41Å; S619-R622 PolarHBondContact O-N 2.87Å; S619-R622 PolarHBondContact OG-NH2 3.47Å; S619-R622 VanDerWaalsContact OG-NH2 3.1Å; F620-R622 PolarHBondContact O-N 2.7Å; R622-G624 VanDerWaalsContact C-N 3.32Å |
| 623 | A | 76.1 | Confident | 72.6 | Confident | 7 Ų | 7 | 72.5 Ų | 72.5 | 6% | 0.058 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 5.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I521 L545 T546 V567 S619 F620 L621 | I521-A623 HydrophobicContact CD1-CB 3.71Å; L545-A623 HydrophobicContact CD1-CB 3.77Å; L545-A623 HydrophobicContact CD2-CB 4.17Å; L545-A623 HydrophobicContact CG-CB 4.14Å; T546-A623 WeakPolarHBondContact O-CB 3.42Å; V567-A623 HydrophobicContact CG1-CB 4.36Å; V567-A623 WeakPolarHBondContact CG2-O 3.46Å; S619-A623 PolarHBondContact O-N 2.81Å; S619-A623 VanDerWaalsContact O-N 3.14Å; F620-A623 CarbonylContact O-C 3.55Å; F620-A623 WeakPolarHBondContact O-CA 3.26Å; F620-A623 WeakPolarHBondContact O-CB 3.3Å; F620-A623 PolarHBondContact O-N 2.84Å; L621-A623 PolarHBondContact O-N 2.77Å |
| 624 | G | 77.6 | Confident | 70.3 | Confident | 35 Ų | 35 | 81 Ų | 81 | 36% | 0.361 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 15.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | F620 L621 R622 Y626 | F620-G624 PolarHBondContact O-N 3.31Å; L621-G624 PolarHBondContact O-N 3.23Å; R622-G624 VanDerWaalsContact C-N 3.32Å; G624-Y626 WeakPolarHBondContact O-CD2 3.5Å; G624-Y626 WeakPolarHBondContact O-CE2 3.22Å |
| 625 | V | 85.3 | Confident | 67.9 | Low | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 42% | 0.423 | C | S | . | . | trans | -100.2 | 109.4 | 178.5 | -179 | 0 | 0 | 0 | 0 | 110 | V567 L570 L588 F620 | V567-V625 HydrophobicContact CB-CG2 3.76Å; V567-V625 HydrophobicContact CG1-CG2 4.21Å; L570-V625 HydrophobicContact CB-CG1 3.83Å; L570-V625 HydrophobicContact CB-CG2 3.99Å; L588-V625 HydrophobicContact CD2-CG1 3.93Å; F620-V625 CarbonylContact C-O 3.54Å; F620-V625 HydrophobicContact CB-CB 4.03Å; F620-V625 HydrophobicContact CB-CG1 4.38Å; F620-V625 HydrophobicContact CD1-CB 4.18Å; F620-V625 HydrophobicContact CD1-CG1 4.36Å; F620-V625 HydrophobicContact CD1-CG2 4.23Å; F620-V625 WeakPolarHBondContact O-CB 3.4Å; F620-V625 PolarHBondContact O-N 3.46Å | ||
| 626 | Y | 77.9 | Confident | 65.7 | Low | 116 Ų | 116 | 89.6 Ų | 89.6 | 46% | 0.455 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 148.1 | -170.8 | -58.7 | -84.5 | 0 | 0 | 0 | 113.3 | K571 L572 L621 G624 | K571-Y626 CarbonylContact C-O 3.33Å; K571-Y626 VanDerWaalsContact CA-O 3.23Å; K571-Y626 WeakPolarHBondContact CA-O 3.42Å; K571-Y626 WeakPolarHBondContact CB-O 3.28Å; K571-Y626 WeakPolarHBondContact CG-O 3.29Å; L572-Y626 PolarHBondContact N-O 3.13Å; L621-Y626 HydrophobicContact CD2-CD1 3.51Å; L621-Y626 HydrophobicContact CD2-CE1 4.09Å; L621-Y626 HydrophobicContact CD2-CG 4.28Å; G624-Y626 WeakPolarHBondContact O-CD2 3.5Å; G624-Y626 WeakPolarHBondContact O-CE2 3.22Å |
| 627 | P | 82.9 | Confident | 62.7 | Low | 71 Ų | 71 | 95 Ų | 95 | 46% | 0.461 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 148 | 173.7 | 25.4 | -31.9 | 0 | 0 | 0 | 112.8 | L572 | L572-P627 HydrophobicContact CD2-CB 4.43Å; L572-P627 CarbonylContact O-C 3.49Å; L572-P627 WeakPolarHBondContact O-CA 3.44Å |
| 628 | E | 79.1 | Confident | 60.1 | Low | 79 Ų | 79 | 103.1 Ų | 103.1 | 37% | 0.369 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 130.4 | 174.2 | -174 | 173 | -141.6 | 0 | 0 | 109.4 | L572 R573 F589 V630 | L572-E628 WeakPolarHBondContact O-CB 3.38Å; L572-E628 PolarHBondContact O-N 3.5Å; R573-E628 HydrophobicContact CB-CB 4.13Å; R573-E628 IonicContact CZ-OE1 3.92Å; R573-E628 IonicContact CZ-OE2 2.65Å; R573-E628 IonicContact NE-OE2 2.67Å; R573-E628 PolarHBondContact NE-OE2 3.42Å; R573-E628 IonicContact NH2-OE1 3.9Å; R573-E628 PolarHBondContact NH2-OE1 2.73Å; R573-E628 IonicContact NH2-OE2 2.81Å; R573-E628 PolarHBondContact NH2-OE2 3.45Å; F589-E628 HydrophobicContact CE1-CB 3.89Å; F589-E628 HydrophobicContact CE1-CG 4.41Å; F589-E628 HydrophobicContact CZ-CB 3.8Å; F589-E628 VanDerWaalsContact CZ-CD 3.44Å; F589-E628 HydrophobicContact CZ-CG 3.9Å; F589-E628 WeakPolarHBondContact CZ-OE1 3.35Å; E628-V630 PolarHBondContact O-N 3.43Å |
| 629 | R | 62 | Low | 57.8 | Low | 156 Ų | 156 | 105 Ų | 105 | 59% | 0.589 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -74 | 119.6 | 174.4 | -64.1 | -176.9 | 178.5 | 179.2 | -2.3 | 107.9 | F379 D380 T631 | F379-R629 PolarHBondContact O-NH2 2.82Å; D380-R629 IonicContact OD1-NH1 2.77Å; D380-R629 PolarHBondContact OD1-NH1 3.43Å; R629-T631 PolarHBondContact O-N 3.27Å |
| 630 | V | 41.8 | Very low | 55.4 | Low | 139 Ų | 139 | 108.4 Ų | 108.4 | 84% | 0.842 | 59% | 0.593 | S | S | * | * | trans | -66.2 | 103.3 | 171.4 | -173.2 | 0 | 0 | 0 | 0 | 107.2 | E628 | E628-V630 PolarHBondContact O-N 3.43Š| ||
| 631 | T | 39.8 | Very low | 53.1 | Low | 123 Ų | 123 | 116.1 Ų | 116.1 | 76% | 0.755 | 63% | 0.634 | S | S | * | * | trans | -79.1 | 115.1 | 161.2 | 39.9 | 0 | 0 | 0 | 0 | 107.2 | R629 K633 | R629-T631 PolarHBondContact O-N 3.27Å; T631-K633 PolarHBondContact O-N 3.36Å | ||
| 632 | E | 33.4 | Very low | 51.2 | Low | 168 Ų | 168 | 122 Ų | 122 | 79% | 0.785 | 66% | 0.66 | S | S | * | * | trans | -54.5 | 114.6 | 171.4 | -73.7 | 177.5 | 157.6 | 0 | 0 | 109 | E634 | E632-E634 PolarHBondContact O-N 3.25Š| ||
| 633 | K | 37.2 | Very low | 49.4 | Very low | 208 Ų | 208 | 122.2 Ų | 122.2 | 90% | 0.904 | 67% | 0.673 | S | S | * | * | trans | -79.3 | 90.6 | 164.8 | -82.7 | -177 | 174.6 | 176.9 | 0 | 107.4 | T631 | T631-K633 PolarHBondContact O-N 3.36Š| ||
| 634 | E | 37.1 | Very low | 47.5 | Very low | 181 Ų | 181 | 124.4 Ų | 124.4 | 85% | 0.846 | 70% | 0.696 | S | S | * | * | trans | -74.6 | 136 | 163.5 | -76.9 | -167.3 | 143.7 | 0 | 0 | 110.7 | E632 | E632-E634 PolarHBondContact O-N 3.25Š| ||
| 635 | G | 33.1 | Very low | 45.6 | Very low | 73 Ų | 73 | 127.2 Ų | 127.2 | 75% | 0.753 | 71% | 0.71 | S | S | * | * | trans | -82.7 | 138.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 636 | K | 35.2 | Very low | 43.2 | Very low | 216 Ų | 216 | 133.2 Ų | 133.2 | 94% | 0.939 | 74% | 0.742 | S | S | * | * | trans | 11.7 | 116.6 | 153.5 | -69.7 | -179.7 | 172.7 | -177.2 | 0 | 118.6 | ||||
| 637 | S | 29.5 | Very low | 41.1 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -141.5 | 133.5 | 133.1 | 52.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 638 | E | 33.7 | Very low | 39 | Very low | 205 Ų | 205 | 135 Ų | 135 | 96% | 0.958 | 75% | 0.751 | S | S | * | * | trans | -67.7 | 144.3 | -178.3 | -66.4 | 175.9 | 143.4 | 0 | 0 | 112.7 | ||||
| 639 | G | 29.9 | Very low | 37.3 | Very low | 82 Ų | 82 | 137.7 Ų | 137.7 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | 128 | 97.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 640 | G | 34.9 | Very low | 36.2 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | 89 | 108.8 | 145.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 641 | D | 40.7 | Very low | 36.2 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | trans | 55.6 | 94 | 151.9 | -62.8 | -19.9 | 0 | 0 | 0 | 119.2 | ||||
| 642 | E | 36.8 | Very low | 36.8 | Very low | 191 Ų | 191 | 132.2 Ų | 132.2 | 89% | 0.893 | 74% | 0.739 | S | S | * | * | trans | -167.2 | 63.3 | 137.1 | -108.7 | 176.4 | -155.2 | 0 | 0 | 111.6 | G644 | E642-G644 PolarHBondContact O-N 3.43Š| ||
| 643 | N | 33.1 | Very low | 38.4 | Very low | 162 Ų | 162 | 128.5 Ų | 128.5 | 87% | 0.866 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 51.9 | 168.7 | -149.5 | 20.2 | 0 | 0 | 0 | 111 | ||
| 644 | G | 36.9 | Very low | 40.2 | Very low | 53 Ų | 53 | 123.5 Ų | 123.5 | 55% | 0.546 | 71% | 0.713 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.8 | -15.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | E642 | E642-G644 PolarHBondContact O-N 3.43Š|
| 645 | S | 37.1 | Very low | 42.1 | Very low | 94 Ų | 94 | 119.6 Ų | 119.6 | 66% | 0.657 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -89 | -23.2 | -168.6 | 58.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 646 | D | 34.4 | Very low | 44.5 | Very low | 126 Ų | 126 | 117 Ų | 117 | 67% | 0.674 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -12.9 | 179.7 | -78.7 | -11.6 | 0 | 0 | 0 | 113.4 | ||
| 647 | N | 34.8 | Very low | 46.7 | Very low | 123 Ų | 123 | 111 Ų | 111 | 66% | 0.658 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -8.4 | 176.3 | -99.4 | -7.1 | 0 | 0 | 0 | 114.4 | S651 | N647-S651 PolarHBondContact O-OG 3.45Š|
| 648 | F | 38.9 | Very low | 49.2 | Very low | 100 Ų | 100 | 111.2 Ų | 111.2 | 44% | 0.439 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -80.9 | -27.5 | -178.7 | -159.9 | -105.1 | 0 | 0 | 0 | 113.1 | M652 | F648-M652 HydrophobicContact CD1-CE 3.86Å; F648-M652 HydrophobicContact CE1-CE 3.13Å; F648-M652 HydrophobicContact CZ-CE 3.56Å |
| 649 | M | 42.4 | Very low | 51.6 | Low | 137 Ų | 137 | 102.2 Ų | 102.2 | 68% | 0.675 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -83.5 | -18.1 | 179.2 | -105.5 | 177.4 | 131.4 | 0 | 0 | 113.7 | ||
| 650 | H | 39.4 | Very low | 54.4 | Low | 181 Ų | 181 | 98.9 Ų | 98.9 | 84% | 0.838 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -101.4 | 1.9 | 176.1 | -84 | -60 | 0 | 0 | 0 | 114.2 | ||
| 651 | S | 41.5 | Very low | 56.9 | Low | 87 Ų | 87 | 97.5 Ų | 97.5 | 61% | 0.608 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -119.1 | 9.8 | 178.4 | 68.2 | 0 | 0 | 0 | 0 | 114.6 | N647 | N647-S651 PolarHBondContact O-OG 3.45Š|
| 652 | M | 53.2 | Low | 59.1 | Low | 35 Ų | 35 | 89.9 Ų | 89.9 | 17% | 0.172 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -69.8 | 135.7 | 171.8 | -80.3 | -95.9 | 164.8 | 0 | 0 | 110.2 | S389 F648 P654 L656 E657 | S389-M652 WeakPolarHBondContact OG-CE 3.4Å; F648-M652 HydrophobicContact CD1-CE 3.86Å; F648-M652 HydrophobicContact CE1-CE 3.13Å; F648-M652 HydrophobicContact CZ-CE 3.56Å; M652-P654 WeakPolarHBondContact O-CD 3.29Å; M652-L656 HydrophobicContact CE-CD2 4.29Å; M652-L656 HydrophobicContact SD-CD2 3.43Å; M652-L656 WeakPolarHBondContact SD-CD2 3.24Å; M652-L656 HydrophobicContact SD-CG 3.9Å; M652-E657 HydrophobicContact CB-CG 3.51Å; M652-E657 WeakPolarHBondContact CB-OE1 3.46Å; M652-E657 HydrophobicContact CG-CG 4.26Å |
| 653 | D | 66.6 | Low | 61.6 | Low | 90 Ų | 90 | 80.8 Ų | 80.8 | 48% | 0.481 | 43% | 0.433 | S | S | . | . | trans | -52.4 | 121.8 | 164.2 | 177.3 | -1.7 | 0 | 0 | 0 | 108.7 | Q655 L656 E657 | D653-Q655 PolarHBondContact O-N 2.92Å; D653-Q655 WeakPolarHBondContact OD1-CB 3.44Å; D653-Q655 PolarHBondContact OD1-N 3.14Å; D653-L656 HydrophobicContact CB-CB 4.16Å; D653-L656 WeakPolarHBondContact O-CA 3.48Å; D653-L656 WeakPolarHBondContact O-CB 3.39Å; D653-L656 PolarHBondContact O-N 3.36Å; D653-E657 PolarHBondContact O-N 3.18Å; D653-E657 VanDerWaalsContact O-N 3.17Å | ||
| 654 | P | 75.5 | Confident | 64.4 | Low | 102 Ų | 102 | 74.5 Ų | 74.5 | 66% | 0.662 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -52.5 | -27.1 | 178.6 | -27.3 | 34.2 | 0 | 0 | 0 | 113.4 | M652 R658 | M652-P654 WeakPolarHBondContact O-CD 3.29Å; P654-R658 PolarHBondContact O-N 3.09Å |
| 655 | Q | 76.8 | Confident | 66.8 | Low | 100 Ų | 100 | 72.9 Ų | 72.9 | 47% | 0.467 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.9 | -41.9 | 174.7 | -172.5 | 171.8 | -19.7 | 0 | 0 | 111.9 | D653 R658 Q659 | D653-Q655 PolarHBondContact O-N 2.92Å; D653-Q655 WeakPolarHBondContact OD1-CB 3.44Å; D653-Q655 PolarHBondContact OD1-N 3.14Å; Q655-R658 PolarHBondContact O-N 3.2Å; Q655-Q659 WeakPolarHBondContact O-CG 2.91Å; Q655-Q659 PolarHBondContact O-N 3.32Å; Q655-Q659 VanDerWaalsContact O-N 3.07Å |
| 656 | L | 82.8 | Confident | 69.3 | Low | 18 Ų | 18 | 68.4 Ų | 68.4 | 9% | 0.094 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.4 | -40.8 | 178.6 | 179.2 | 59.6 | 0 | 0 | 0 | 111.8 | I392 K393 M652 D653 R658 Q659 V660 | I392-L656 HydrophobicContact CB-CD1 4.14Å; I392-L656 HydrophobicContact CD1-CD1 4.04Å; I392-L656 HydrophobicContact CG2-CD1 3.69Å; K393-L656 HydrophobicContact CG-CD2 4.43Å; M652-L656 HydrophobicContact CE-CD2 4.29Å; M652-L656 HydrophobicContact SD-CD2 3.43Å; M652-L656 WeakPolarHBondContact SD-CD2 3.24Å; M652-L656 HydrophobicContact SD-CG 3.9Å; D653-L656 HydrophobicContact CB-CB 4.16Å; D653-L656 WeakPolarHBondContact O-CA 3.48Å; D653-L656 WeakPolarHBondContact O-CB 3.39Å; D653-L656 PolarHBondContact O-N 3.36Å; L656-R658 VanDerWaalsContact C-N 3.29Å; L656-R658 PolarHBondContact O-N 3.26Å; L656-Q659 PolarHBondContact O-N 3.37Å; L656-Q659 VanDerWaalsContact O-N 3.16Å; L656-V660 HydrophobicContact CD1-CG2 4.22Å; L656-V660 HydrophobicContact CG-CG2 4.41Å; L656-V660 VanDerWaalsContact O-CG2 3.31Å; L656-V660 WeakPolarHBondContact O-CG2 3.25Å; L656-V660 PolarHBondContact O-N 2.79Å |
| 657 | E | 82.2 | Confident | 72 | Confident | 91 Ų | 91 | 62.4 Ų | 62.4 | 43% | 0.425 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 175.3 | -65.8 | -169.3 | 152 | 0 | 0 | 111.7 | M652 D653 Q659 V660 E661 | M652-E657 HydrophobicContact CB-CG 3.51Å; M652-E657 WeakPolarHBondContact CB-OE1 3.46Å; M652-E657 HydrophobicContact CG-CG 4.26Å; D653-E657 PolarHBondContact O-N 3.18Å; D653-E657 VanDerWaalsContact O-N 3.17Å; E657-Q659 VanDerWaalsContact C-N 3.34Å; E657-Q659 PolarHBondContact O-N 3.03Å; E657-V660 PolarHBondContact O-N 3.27Å; E657-E661 PolarHBondContact O-N 3.39Å |
| 658 | R | 82.1 | Confident | 74.5 | Confident | 124 Ų | 124 | 59.1 Ų | 59.1 | 47% | 0.468 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 176.7 | -170.6 | 177.7 | -179 | -174.2 | -0.9 | 112.2 | I503 P654 Q655 L656 T662 | I503-R658 HydrophobicContact CD1-CG 4.34Å; P654-R658 PolarHBondContact O-N 3.09Å; Q655-R658 PolarHBondContact O-N 3.2Å; L656-R658 VanDerWaalsContact C-N 3.29Å; L656-R658 PolarHBondContact O-N 3.26Å; R658-T662 WeakPolarHBondContact O-CB 3.43Å; R658-T662 PolarHBondContact O-N 3Å; R658-T662 PolarHBondContact O-OG1 3.4Å |
| 659 | Q | 84.6 | Confident | 77 | Confident | 17 Ų | 17 | 55.1 Ų | 55.1 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 175.4 | -71.5 | -178.5 | -8.2 | 0 | 0 | 111.5 | I392 T404 Q655 L656 E657 E661 T662 I663 | I392-Q659 HydrophobicContact CD1-CB 3.92Å; T404-Q659 HydrophobicContact CG2-CB 4.23Å; T404-Q659 HydrophobicContact CG2-CG 4.34Å; Q655-Q659 WeakPolarHBondContact O-CG 2.91Å; Q655-Q659 PolarHBondContact O-N 3.32Å; Q655-Q659 VanDerWaalsContact O-N 3.07Å; L656-Q659 PolarHBondContact O-N 3.37Å; L656-Q659 VanDerWaalsContact O-N 3.16Å; E657-Q659 VanDerWaalsContact C-N 3.34Å; E657-Q659 PolarHBondContact O-N 3.03Å; Q659-E661 VanDerWaalsContact C-N 3.35Å; Q659-E661 PolarHBondContact O-N 3.35Å; Q659-T662 PolarHBondContact O-N 3.18Å; Q659-I663 WeakPolarHBondContact O-CG1 3.31Å; Q659-I663 PolarHBondContact O-N 2.95Å |
| 660 | V | 88.6 | Confident | 79.4 | Confident | 11 Ų | 11 | 49 Ų | 49 | 7% | 0.067 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.1 | -47.9 | 176.5 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | R385 I388 I392 L656 E657 T662 I663 R664 | R385-V660 HydrophobicContact CB-CG1 3.96Å; R385-V660 HydrophobicContact CG-CG1 3.99Å; I388-V660 HydrophobicContact CB-CG1 4.26Å; I388-V660 HydrophobicContact CG2-CB 4.18Å; I388-V660 HydrophobicContact CG2-CG1 4.07Å; I388-V660 HydrophobicContact CG2-CG2 4.1Å; I392-V660 HydrophobicContact CD1-CG2 3.84Å; L656-V660 HydrophobicContact CD1-CG2 4.22Å; L656-V660 HydrophobicContact CG-CG2 4.41Å; L656-V660 VanDerWaalsContact O-CG2 3.31Å; L656-V660 WeakPolarHBondContact O-CG2 3.25Å; L656-V660 PolarHBondContact O-N 2.79Å; E657-V660 PolarHBondContact O-N 3.27Å; V660-T662 PolarHBondContact O-N 3.47Å; V660-I663 PolarHBondContact O-N 2.97Å; V660-R664 WeakPolarHBondContact O-CB 3.44Å; V660-R664 PolarHBondContact O-N 3.27Å |
| 661 | E | 86.8 | Confident | 81.9 | Confident | 44 Ų | 44 | 40.8 Ų | 40.8 | 21% | 0.206 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.3 | -33.7 | -179.4 | -170 | 52.4 | -135.3 | 0 | 0 | 112.3 | R385 I503 E657 Q659 R664 N665 | R385-E661 IonicContact CZ-OE2 3.4Å; R385-E661 IonicContact NE-OE2 3.76Å; R385-E661 PolarHBondContact NE-OE2 3.29Å; R385-E661 IonicContact NH2-OE2 3.47Å; I503-E661 HydrophobicContact CD1-CB 4.34Å; I503-E661 HydrophobicContact CD1-CG 4.23Å; I503-E661 HydrophobicContact CG1-CG 4.25Å; E657-E661 PolarHBondContact O-N 3.39Å; Q659-E661 VanDerWaalsContact C-N 3.35Å; Q659-E661 PolarHBondContact O-N 3.35Å; E661-R664 PolarHBondContact O-N 3.43Å; E661-R664 IonicContact OE1-CZ 2.8Å; E661-R664 IonicContact OE1-NE 3.82Å; E661-R664 PolarHBondContact OE1-NE 3.37Å; E661-R664 IonicContact OE1-NH2 3.61Å; E661-R664 WeakPolarHBondContact OE2-CD 3.33Å; E661-R664 IonicContact OE2-NE 3.82Å; E661-N665 PolarHBondContact O-N 3.41Å; E661-N665 PolarHBondContact O-ND2 3.15Å; E661-N665 PolarHBondContact OE1-ND2 2.91Å |
| 662 | T | 87.3 | Confident | 84.2 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -48.6 | 173.2 | -56.9 | 0 | 0 | 0 | 0 | 110.6 | A499 Q500 R658 Q659 V660 N665 L666 | A499-T662 HydrophobicContact CB-CG2 4.18Å; Q500-T662 HydrophobicContact CG-CG2 3.89Å; R658-T662 WeakPolarHBondContact O-CB 3.43Å; R658-T662 PolarHBondContact O-N 3Å; R658-T662 PolarHBondContact O-OG1 3.4Å; Q659-T662 PolarHBondContact O-N 3.18Å; V660-T662 PolarHBondContact O-N 3.47Å; T662-N665 PolarHBondContact O-N 2.95Å; T662-L666 HydrophobicContact CG2-CD1 4.24Å; T662-L666 WeakPolarHBondContact O-CG 3.45Å; T662-L666 PolarHBondContact O-N 3.47Å; T662-L666 VanDerWaalsContact O-N 3.14Å |
| 663 | I | 89.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.3 | -41.3 | 177.7 | -66 | -173.7 | 0 | 0 | 0 | 110.8 | I388 I392 T404 A408 F409 Q659 V660 N665 L666 V667 | I388-I663 HydrophobicContact CD1-CG2 4.15Å; I388-I663 HydrophobicContact CG1-CG2 4.08Å; I388-I663 HydrophobicContact CG2-CB 3.79Å; I388-I663 HydrophobicContact CG2-CD1 4.21Å; I388-I663 HydrophobicContact CG2-CG2 3.79Å; I392-I663 HydrophobicContact CD1-CD1 3.92Å; I392-I663 HydrophobicContact CG1-CD1 3.84Å; T404-I663 HydrophobicContact CG2-CD1 3.77Å; T404-I663 HydrophobicContact CG2-CG1 3.66Å; A408-I663 HydrophobicContact CB-CD1 3.51Å; F409-I663 HydrophobicContact CB-CG2 4.25Å; Q659-I663 WeakPolarHBondContact O-CG1 3.31Å; Q659-I663 PolarHBondContact O-N 2.95Å; V660-I663 PolarHBondContact O-N 2.97Å; I663-N665 VanDerWaalsContact C-N 3.33Å; I663-N665 PolarHBondContact O-N 3.4Å; I663-L666 PolarHBondContact O-N 3.43Å; I663-L666 VanDerWaalsContact O-N 3.13Å; I663-V667 HydrophobicContact CG2-CG2 3.93Å; I663-V667 VanDerWaalsContact O-CG2 3.27Å; I663-V667 WeakPolarHBondContact O-CG2 3.22Å; I663-V667 PolarHBondContact O-N 3.07Å |
| 664 | R | 90.3 | Very high | 87.4 | Confident | 30 Ų | 30 | 34.2 Ų | 34.2 | 11% | 0.113 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53.4 | -50.5 | 175.8 | -169.2 | -152.2 | 82.1 | 74.7 | 25.6 | 111.4 | E381 L384 R385 I388 V660 E661 L666 V667 D668 | E381-R664 IonicContact OE1-CZ 3.17Å; E381-R664 IonicContact OE1-NH1 3.72Å; E381-R664 PolarHBondContact OE1-NH1 3.43Å; L384-R664 HydrophobicContact CD2-CG 4.44Å; R385-R664 VanDerWaalsContact NH2-CD 3.34Å; I388-R664 HydrophobicContact CD1-CB 4.07Å; V660-R664 WeakPolarHBondContact O-CB 3.44Å; V660-R664 PolarHBondContact O-N 3.27Å; E661-R664 PolarHBondContact O-N 3.43Å; E661-R664 IonicContact OE1-CZ 2.8Å; E661-R664 IonicContact OE1-NE 3.82Å; E661-R664 PolarHBondContact OE1-NE 3.37Å; E661-R664 IonicContact OE1-NH2 3.61Å; E661-R664 WeakPolarHBondContact OE2-CD 3.33Å; E661-R664 IonicContact OE2-NE 3.82Å; R664-L666 VanDerWaalsContact C-N 3.31Å; R664-L666 PolarHBondContact O-N 3.09Å; R664-V667 PolarHBondContact O-N 3.04Å; R664-D668 IonicContact CZ-OD2 3.35Å; R664-D668 IonicContact NH1-OD1 2.63Å; R664-D668 IonicContact NH1-OD2 2.76Å; R664-D668 PolarHBondContact NH1-OD2 3.27Å; R664-D668 IonicContact NH2-OD2 2.65Å; R664-D668 PolarHBondContact NH2-OD2 2.99Å; R664-D668 PolarHBondContact O-N 3.28Å |
| 665 | N | 87.7 | Confident | 88.2 | Confident | 19 Ų | 19 | 30.9 Ų | 30.9 | 10% | 0.102 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.5 | -35.3 | 179.4 | -73.3 | -53 | 0 | 0 | 0 | 113.1 | I494 A499 E661 T662 I663 S669 | I494-N665 HydrophobicContact CD1-CB 4.33Å; A499-N665 HydrophobicContact CB-CB 4.31Å; E661-N665 PolarHBondContact O-N 3.41Å; E661-N665 PolarHBondContact O-ND2 3.15Å; E661-N665 PolarHBondContact OE1-ND2 2.91Å; T662-N665 PolarHBondContact O-N 2.95Å; I663-N665 VanDerWaalsContact C-N 3.33Å; I663-N665 PolarHBondContact O-N 3.4Å; N665-S669 WeakPolarHBondContact O-CB 3.2Å; N665-S669 PolarHBondContact O-N 3.47Å; N665-S669 VanDerWaalsContact O-N 3.08Å |
| 666 | L | 90.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.9 | -44.3 | 174.8 | -66 | 168.3 | 0 | 0 | 0 | 111.5 | F409 F493 I494 F496 A499 T662 I663 R664 S669 Y670 | F409-L666 HydrophobicContact CD2-CB 3.68Å; F409-L666 HydrophobicContact CE2-CB 3.72Å; F493-L666 HydrophobicContact CE1-CD2 4.28Å; F493-L666 HydrophobicContact CE2-CB 4.44Å; F493-L666 HydrophobicContact CE2-CD2 4.17Å; F493-L666 HydrophobicContact CZ-CB 4.3Å; F493-L666 HydrophobicContact CZ-CD2 3.65Å; I494-L666 HydrophobicContact CD1-CD2 4.47Å; I494-L666 HydrophobicContact CG1-CD2 4.15Å; F496-L666 HydrophobicContact CD1-CD1 3.51Å; F496-L666 HydrophobicContact CD2-CD1 4.15Å; F496-L666 HydrophobicContact CE1-CD1 3.34Å; F496-L666 HydrophobicContact CE2-CD1 3.99Å; F496-L666 HydrophobicContact CG-CD1 3.92Å; F496-L666 HydrophobicContact CZ-CD1 3.59Å; A499-L666 HydrophobicContact CB-CD2 3.79Å; A499-L666 HydrophobicContact CB-CG 3.96Å; T662-L666 HydrophobicContact CG2-CD1 4.24Å; T662-L666 WeakPolarHBondContact O-CG 3.45Å; T662-L666 PolarHBondContact O-N 3.47Å; T662-L666 VanDerWaalsContact O-N 3.14Å; I663-L666 PolarHBondContact O-N 3.43Å; I663-L666 VanDerWaalsContact O-N 3.13Å; R664-L666 VanDerWaalsContact C-N 3.31Å; R664-L666 PolarHBondContact O-N 3.09Å; L666-S669 PolarHBondContact O-N 3.34Å; L666-Y670 WeakPolarHBondContact O-CB 3.2Å; L666-Y670 PolarHBondContact O-N 3.49Å |
| 667 | V | 90.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.1 | -50.1 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 109.7 | F409 I412 V413 I663 R664 S669 Y670 M671 | F409-V667 HydrophobicContact CD2-CG2 3.93Å; F409-V667 HydrophobicContact CE2-CG2 4.39Å; I412-V667 HydrophobicContact CB-CG2 4.2Å; I412-V667 HydrophobicContact CG2-CG1 4.1Å; I412-V667 HydrophobicContact CG2-CG2 3.76Å; V413-V667 HydrophobicContact CG2-CB 4.44Å; V413-V667 HydrophobicContact CG2-CG1 4.43Å; V413-V667 HydrophobicContact CG2-CG2 4.02Å; I663-V667 HydrophobicContact CG2-CG2 3.93Å; I663-V667 VanDerWaalsContact O-CG2 3.27Å; I663-V667 WeakPolarHBondContact O-CG2 3.22Å; I663-V667 PolarHBondContact O-N 3.07Å; R664-V667 PolarHBondContact O-N 3.04Å; V667-S669 VanDerWaalsContact C-N 3.35Å; V667-S669 PolarHBondContact O-N 2.87Å; V667-Y670 PolarHBondContact O-N 2.96Å; V667-M671 HydrophobicContact CG1-CG 4.08Å; V667-M671 VanDerWaalsContact O-CB 3.31Å; V667-M671 WeakPolarHBondContact O-CB 3.46Å; V667-M671 VanDerWaalsContact O-CG 3.24Å; V667-M671 WeakPolarHBondContact O-CG 3.35Å; V667-M671 PolarHBondContact O-N 2.74Å |
| 668 | D | 88.3 | Confident | 90.1 | Very high | 54 Ų | 54 | 29 Ų | 29 | 29% | 0.289 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -57.8 | -47 | 177.6 | -76.7 | 3 | 0 | 0 | 0 | 112 | R664 Y670 M671 A672 | R664-D668 IonicContact CZ-OD2 3.35Å; R664-D668 IonicContact NH1-OD1 2.63Å; R664-D668 IonicContact NH1-OD2 2.76Å; R664-D668 PolarHBondContact NH1-OD2 3.27Å; R664-D668 IonicContact NH2-OD2 2.65Å; R664-D668 PolarHBondContact NH2-OD2 2.99Å; R664-D668 PolarHBondContact O-N 3.28Å; D668-Y670 VanDerWaalsContact C-N 3.34Å; D668-Y670 PolarHBondContact O-N 3.1Å; D668-M671 PolarHBondContact O-N 3.15Å; D668-A672 WeakPolarHBondContact O-CB 3.39Å; D668-A672 PolarHBondContact O-N 3.3Å |
| 669 | S | 89.8 | Confident | 90.6 | Very high | 16 Ų | 16 | 28.4 Ų | 28.4 | 11% | 0.112 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.7 | -42.6 | 179.2 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | I494 N665 L666 V667 I673 | I494-S669 PolarHBondContact N-OG 3.38Å; N665-S669 WeakPolarHBondContact O-CB 3.2Å; N665-S669 PolarHBondContact O-N 3.47Å; N665-S669 VanDerWaalsContact O-N 3.08Å; L666-S669 PolarHBondContact O-N 3.34Å; V667-S669 VanDerWaalsContact C-N 3.35Å; V667-S669 PolarHBondContact O-N 2.87Å; S669-I673 WeakPolarHBondContact O-CG1 3.5Å |
| 670 | Y | 93.5 | Very high | 91 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 4% | 0.035 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72.1 | -42.9 | -179.9 | -163.5 | -92.9 | 0 | 0 | 0 | 111.6 | F409 V413 I417 M486 N487 F493 L666 V667 D668 A672 I673 V674 | F409-Y670 HydrophobicContact CZ-CD2 4.19Å; F409-Y670 HydrophobicContact CZ-CG 4.01Å; V413-Y670 HydrophobicContact CG1-CD1 3.43Å; V413-Y670 VanDerWaalsContact CG1-CD1 3.43Å; V413-Y670 HydrophobicContact CG1-CE1 3.75Å; V413-Y670 HydrophobicContact CG1-CG 4.4Å; V413-Y670 HydrophobicContact CG2-CD1 4.32Å; I417-Y670 HydrophobicContact CD1-CE1 4.16Å; M486-Y670 VanDerWaalsContact CA-OH 3.28Å; M486-Y670 WeakPolarHBondContact CA-OH 3.42Å; M486-Y670 HydrophobicContact CB-CE2 4.4Å; M486-Y670 HydrophobicContact CG-CE1 4.42Å; N487-Y670 PolarHBondContact N-OH 3.12Å; N487-Y670 VanDerWaalsContact N-OH 3.14Å; F493-Y670 HydrophobicContact CD2-CD2 4.04Å; F493-Y670 HydrophobicContact CE2-CD2 4.11Å; L666-Y670 WeakPolarHBondContact O-CB 3.2Å; L666-Y670 PolarHBondContact O-N 3.49Å; V667-Y670 PolarHBondContact O-N 2.96Å; D668-Y670 VanDerWaalsContact C-N 3.34Å; D668-Y670 PolarHBondContact O-N 3.1Å; Y670-A672 VanDerWaalsContact C-N 3.28Å; Y670-A672 PolarHBondContact O-N 2.98Å; Y670-I673 WeakPolarHBondContact O-CB 3.21Å; Y670-I673 PolarHBondContact O-N 2.9Å; Y670-I673 VanDerWaalsContact O-N 3.09Å; Y670-V674 HydrophobicContact CD1-CG2 3.85Å; Y670-V674 HydrophobicContact CE1-CG2 3.57Å; Y670-V674 PolarHBondContact O-N 3.42Å |
| 671 | M | 91.5 | Very high | 91.4 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 4% | 0.044 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.6 | -33.1 | 177.2 | -71 | -56.8 | -59.6 | 0 | 0 | 112.2 | Q416 I417 I420 V667 D668 I673 V674 N675 | Q416-M671 HydrophobicContact CB-CE 3.73Å; Q416-M671 HydrophobicContact CB-CG 4.39Å; Q416-M671 HydrophobicContact CB-SD 3.72Å; I417-M671 HydrophobicContact CG1-CE 4.38Å; I417-M671 HydrophobicContact CG1-SD 3.85Å; I420-M671 HydrophobicContact CD1-CE 3.86Å; V667-M671 HydrophobicContact CG1-CG 4.08Å; V667-M671 VanDerWaalsContact O-CB 3.31Å; V667-M671 WeakPolarHBondContact O-CB 3.46Å; V667-M671 VanDerWaalsContact O-CG 3.24Å; V667-M671 WeakPolarHBondContact O-CG 3.35Å; V667-M671 PolarHBondContact O-N 2.74Å; D668-M671 PolarHBondContact O-N 3.15Å; M671-I673 VanDerWaalsContact C-N 3.3Å; M671-I673 PolarHBondContact O-N 3.03Å; M671-V674 PolarHBondContact O-N 3.32Å; M671-N675 VanDerWaalsContact O-CB 3.23Å; M671-N675 WeakPolarHBondContact O-CB 3.34Å; M671-N675 VanDerWaalsContact O-CG 3.24Å; M671-N675 PolarHBondContact O-N 3.42Å; M671-N675 PolarHBondContact O-ND2 2.84Å |
| 672 | A | 89.9 | Confident | 91.9 | Very high | 59 Ų | 59 | 31.8 Ų | 31.8 | 49% | 0.488 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -60.8 | -39.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | D668 Y670 K676 | D668-A672 WeakPolarHBondContact O-CB 3.39Å; D668-A672 PolarHBondContact O-N 3.3Å; Y670-A672 VanDerWaalsContact C-N 3.28Å; Y670-A672 PolarHBondContact O-N 2.98Å; A672-K676 WeakPolarHBondContact O-CB 3.3Å; A672-K676 PolarHBondContact O-N 3.18Å |
| 673 | I | 93.1 | Very high | 92.4 | Very high | 14 Ų | 14 | 32.2 Ų | 32.2 | 7% | 0.072 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.5 | -51.9 | 175.8 | -61.3 | 162.8 | 0 | 0 | 0 | 109.8 | H490 D492 F493 S669 Y670 M671 N675 K676 T677 | H490-I673 HydrophobicContact CB-CD1 4.24Å; D492-I673 HydrophobicContact CB-CD1 4.15Å; D492-I673 HydrophobicContact CB-CG1 3.97Å; F493-I673 HydrophobicContact CB-CD1 3.83Å; F493-I673 HydrophobicContact CD2-CD1 4.41Å; S669-I673 WeakPolarHBondContact O-CG1 3.5Å; Y670-I673 WeakPolarHBondContact O-CB 3.21Å; Y670-I673 PolarHBondContact O-N 2.9Å; Y670-I673 VanDerWaalsContact O-N 3.09Å; M671-I673 VanDerWaalsContact C-N 3.3Å; M671-I673 PolarHBondContact O-N 3.03Å; I673-N675 VanDerWaalsContact C-N 3.32Å; I673-N675 PolarHBondContact O-N 2.88Å; I673-K676 WeakPolarHBondContact O-CA 3.28Å; I673-K676 WeakPolarHBondContact O-CB 3.23Å; I673-K676 PolarHBondContact O-N 3.24Å; I673-T677 PolarHBondContact O-N 3.04Å; I673-T677 PolarHBondContact O-OG1 3.47Å |
| 674 | V | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.1 | -45.2 | 179 | 177.5 | 0 | 0 | 0 | 0 | 111 | I417 I420 E482 Y670 M671 K676 T677 V678 | I417-V674 HydrophobicContact CD1-CG2 4.01Å; I417-V674 HydrophobicContact CG1-CG1 4.23Å; I417-V674 HydrophobicContact CG1-CG2 4.36Å; I420-V674 HydrophobicContact CD1-CG1 3.85Å; E482-V674 HydrophobicContact CG-CG1 4.45Å; Y670-V674 HydrophobicContact CD1-CG2 3.85Å; Y670-V674 HydrophobicContact CE1-CG2 3.57Å; Y670-V674 PolarHBondContact O-N 3.42Å; M671-V674 PolarHBondContact O-N 3.32Å; V674-K676 VanDerWaalsContact C-N 3.28Å; V674-K676 PolarHBondContact O-N 3.34Å; V674-T677 PolarHBondContact O-N 3.08Å; V674-V678 HydrophobicContact CG1-CG2 4.04Å; V674-V678 WeakPolarHBondContact O-CB 3.35Å; V674-V678 VanDerWaalsContact O-CG2 3.31Å; V674-V678 WeakPolarHBondContact O-CG2 3.33Å; V674-V678 PolarHBondContact O-N 3.47Å |
| 675 | N | 91.7 | Very high | 93.2 | Very high | 32 Ų | 32 | 37.2 Ų | 37.2 | 17% | 0.171 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.8 | -33.3 | 177.1 | -77.4 | -25.7 | 0 | 0 | 0 | 112.5 | M671 I673 R679 | M671-N675 VanDerWaalsContact O-CB 3.23Å; M671-N675 WeakPolarHBondContact O-CB 3.34Å; M671-N675 VanDerWaalsContact O-CG 3.24Å; M671-N675 PolarHBondContact O-N 3.42Å; M671-N675 PolarHBondContact O-ND2 2.84Å; I673-N675 VanDerWaalsContact C-N 3.32Å; I673-N675 PolarHBondContact O-N 2.88Å; N675-R679 VanDerWaalsContact O-CB 3.27Å; N675-R679 WeakPolarHBondContact O-CB 3.44Å; N675-R679 WeakPolarHBondContact O-CG 3.4Å; N675-R679 PolarHBondContact O-N 3.32Å; N675-R679 VanDerWaalsContact O-N 3.12Å; N675-R679 PolarHBondContact O-NE 2.96Å |
| 676 | K | 92 | Very high | 93.7 | Very high | 123 Ų | 123 | 36.3 Ų | 36.3 | 54% | 0.535 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.9 | -46.3 | 173.6 | -174.9 | -179.8 | 174.4 | -174.8 | 0 | 110.5 | D492 A672 I673 V674 D680 | D492-K676 IonicContact OD2-NZ 2.64Å; D492-K676 PolarHBondContact OD2-NZ 3.21Å; D492-K676 VanDerWaalsContact OD2-NZ 3.09Å; A672-K676 WeakPolarHBondContact O-CB 3.3Å; A672-K676 PolarHBondContact O-N 3.18Å; I673-K676 WeakPolarHBondContact O-CA 3.28Å; I673-K676 WeakPolarHBondContact O-CB 3.23Å; I673-K676 PolarHBondContact O-N 3.24Å; V674-K676 VanDerWaalsContact C-N 3.28Å; V674-K676 PolarHBondContact O-N 3.34Å; K676-D680 PolarHBondContact O-N 2.85Å |
| 677 | T | 94.6 | Very high | 94 | Very high | 42 Ų | 42 | 39.6 Ų | 39.6 | 26% | 0.258 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.6 | -49.3 | 177.4 | -57.8 | 0 | 0 | 0 | 0 | 112 | I673 V674 R679 D680 L681 | I673-T677 PolarHBondContact O-N 3.04Å; I673-T677 PolarHBondContact O-OG1 3.47Å; V674-T677 PolarHBondContact O-N 3.08Å; T677-R679 PolarHBondContact O-N 2.9Å; T677-D680 PolarHBondContact O-N 3.44Å; T677-L681 HydrophobicContact CG2-CD1 3.55Å; T677-L681 HydrophobicContact CG2-CG 4.11Å; T677-L681 WeakPolarHBondContact O-CB 3.31Å; T677-L681 WeakPolarHBondContact O-CG 3.48Å; T677-L681 PolarHBondContact O-N 2.9Å |
| 678 | V | 95.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | -179.5 | 169 | 0 | 0 | 0 | 0 | 111.7 | F370 L374 I420 I479 V674 D680 I682 | F370-V678 HydrophobicContact CE1-CG1 4.31Å; F370-V678 HydrophobicContact CZ-CG1 3.78Å; L374-V678 HydrophobicContact CD1-CG1 4.25Å; L374-V678 HydrophobicContact CD2-CG1 4.48Å; I420-V678 HydrophobicContact CG2-CG1 3.83Å; I420-V678 HydrophobicContact CG2-CG2 4.26Å; I479-V678 HydrophobicContact CD1-CG1 4.43Å; I479-V678 HydrophobicContact CD1-CG2 3.76Å; V674-V678 HydrophobicContact CG1-CG2 4.04Å; V674-V678 WeakPolarHBondContact O-CB 3.35Å; V674-V678 VanDerWaalsContact O-CG2 3.31Å; V674-V678 WeakPolarHBondContact O-CG2 3.33Å; V674-V678 PolarHBondContact O-N 3.47Å; V678-D680 PolarHBondContact O-N 2.8Å; V678-I682 HydrophobicContact CG1-CG1 3.72Å; V678-I682 WeakPolarHBondContact O-CB 3.32Å; V678-I682 VanDerWaalsContact O-CG1 3.25Å; V678-I682 WeakPolarHBondContact O-CG1 3.45Å; V678-I682 PolarHBondContact O-N 2.8Å; V678-I682 VanDerWaalsContact O-N 3.11Å |
| 679 | R | 93.5 | Very high | 94.8 | Very high | 111 Ų | 111 | 44.3 Ų | 44.3 | 42% | 0.419 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.1 | -25.7 | 176.7 | -78.9 | -177.1 | -63 | 177.2 | 1.8 | 113.5 | P371 L374 N675 T677 P683 | P371-R679 HydrophobicContact CG-CG 4.4Å; L374-R679 HydrophobicContact CD1-CG 3.52Å; N675-R679 VanDerWaalsContact O-CB 3.27Å; N675-R679 WeakPolarHBondContact O-CB 3.44Å; N675-R679 WeakPolarHBondContact O-CG 3.4Å; N675-R679 PolarHBondContact O-N 3.32Å; N675-R679 VanDerWaalsContact O-N 3.12Å; N675-R679 PolarHBondContact O-NE 2.96Å; T677-R679 PolarHBondContact O-N 2.9Å; R679-P683 VanDerWaalsContact O-CD 3.3Å; R679-P683 WeakPolarHBondContact O-CD 3.42Å; R679-P683 WeakPolarHBondContact O-CG 3.26Å |
| 680 | D | 93.4 | Very high | 95.1 | Very high | 77 Ų | 77 | 43.5 Ų | 43.5 | 41% | 0.412 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -91.8 | -47.5 | 178 | 179.4 | 72.2 | 0 | 0 | 0 | 112.6 | K676 T677 V678 K684 | K676-D680 PolarHBondContact O-N 2.85Å; T677-D680 PolarHBondContact O-N 3.44Å; V678-D680 PolarHBondContact O-N 2.8Å; D680-K684 WeakPolarHBondContact O-CG 3.5Å; D680-K684 WeakPolarHBondContact OD1-CE 3.06Å; D680-K684 IonicContact OD1-NZ 3Å; D680-K684 PolarHBondContact OD1-NZ 2.74Å; D680-K684 WeakPolarHBondContact OD2-CE 3.24Å; D680-K684 IonicContact OD2-NZ 4Å; D680-K684 PolarHBondContact OD2-NZ 3.08Å |
| 681 | L | 96.7 | Very high | 95.2 | Very high | 64 Ų | 64 | 43.3 Ų | 43.3 | 34% | 0.335 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -74.9 | -33.9 | -173 | -69.6 | -175.9 | 0 | 0 | 0 | 113.9 | T677 K684 T685 | T677-L681 HydrophobicContact CG2-CD1 3.55Å; T677-L681 HydrophobicContact CG2-CG 4.11Å; T677-L681 WeakPolarHBondContact O-CB 3.31Å; T677-L681 WeakPolarHBondContact O-CG 3.48Å; T677-L681 PolarHBondContact O-N 2.9Å; L681-K684 PolarHBondContact O-N 2.88Å; L681-T685 WeakPolarHBondContact O-CB 3.45Å; L681-T685 PolarHBondContact O-N 2.85Å; L681-T685 PolarHBondContact O-OG1 3.25Å |
| 682 | I | 97.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.1 | -51.3 | -177.5 | -61.7 | -58 | 0 | 0 | 0 | 111.4 | F370 C424 V475 L478 V678 K684 T685 V686 | F370-I682 HydrophobicContact CE1-CB 3.85Å; F370-I682 HydrophobicContact CE1-CG1 4.3Å; F370-I682 HydrophobicContact CE1-CG2 4.08Å; F370-I682 HydrophobicContact CZ-CB 3.9Å; F370-I682 HydrophobicContact CZ-CG1 3.97Å; F370-I682 HydrophobicContact CZ-CG2 3.92Å; C424-I682 HydrophobicContact CB-CD1 4.4Å; C424-I682 HydrophobicContact CB-CG1 4.5Å; V475-I682 HydrophobicContact CB-CD1 4.29Å; V475-I682 HydrophobicContact CG1-CD1 3.82Å; V475-I682 HydrophobicContact CG2-CD1 4.03Å; L478-I682 HydrophobicContact CD1-CD1 4.28Å; V678-I682 HydrophobicContact CG1-CG1 3.72Å; V678-I682 WeakPolarHBondContact O-CB 3.32Å; V678-I682 VanDerWaalsContact O-CG1 3.25Å; V678-I682 WeakPolarHBondContact O-CG1 3.45Å; V678-I682 PolarHBondContact O-N 2.8Å; V678-I682 VanDerWaalsContact O-N 3.11Å; I682-K684 VanDerWaalsContact C-N 3.31Å; I682-K684 PolarHBondContact O-N 3.12Å; I682-T685 WeakPolarHBondContact O-CB 3.4Å; I682-T685 PolarHBondContact O-N 2.97Å; I682-T685 VanDerWaalsContact O-N 3.15Å; I682-V686 WeakPolarHBondContact O-CG2 3.38Å; I682-V686 PolarHBondContact O-N 3.26Å |
| 683 | P | 97.6 | Very high | 95.8 | Very high | 10 Ų | 10 | 45.4 Ų | 45.4 | 7% | 0.065 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -54.6 | -43.9 | 173.4 | -28.9 | 37.6 | 0 | 0 | 0 | 113.4 | F366 R679 T685 V686 M687 | F366-P683 HydrophobicContact CB-CB 4.07Å; F366-P683 HydrophobicContact CB-CG 4.03Å; F366-P683 HydrophobicContact CD1-CB 3.8Å; F366-P683 HydrophobicContact CD1-CG 3.97Å; F366-P683 HydrophobicContact CD2-CB 4.01Å; F366-P683 HydrophobicContact CE1-CB 4.18Å; F366-P683 HydrophobicContact CE2-CB 4.38Å; F366-P683 HydrophobicContact CG-CB 3.71Å; F366-P683 HydrophobicContact CG-CG 4.06Å; F366-P683 HydrophobicContact CZ-CB 4.46Å; R679-P683 VanDerWaalsContact O-CD 3.3Å; R679-P683 WeakPolarHBondContact O-CD 3.42Å; R679-P683 WeakPolarHBondContact O-CG 3.26Å; P683-T685 VanDerWaalsContact C-N 3.32Å; P683-T685 PolarHBondContact O-N 2.87Å; P683-V686 PolarHBondContact O-N 2.94Å; P683-M687 WeakPolarHBondContact O-CB 3.2Å; P683-M687 VanDerWaalsContact O-CG 3.29Å; P683-M687 WeakPolarHBondContact O-CG 3.5Å; P683-M687 PolarHBondContact O-N 2.72Å |
| 684 | K | 98 | Very high | 96 | Very high | 115 Ų | 115 | 44.8 Ų | 44.8 | 50% | 0.5 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.3 | -40.5 | 178.1 | -71 | 174.3 | -176.4 | 171.9 | 0 | 112.3 | D680 L681 I682 H688 | D680-K684 WeakPolarHBondContact O-CG 3.5Å; D680-K684 WeakPolarHBondContact OD1-CE 3.06Å; D680-K684 IonicContact OD1-NZ 3Å; D680-K684 PolarHBondContact OD1-NZ 2.74Å; D680-K684 WeakPolarHBondContact OD2-CE 3.24Å; D680-K684 IonicContact OD2-NZ 4Å; D680-K684 PolarHBondContact OD2-NZ 3.08Å; L681-K684 PolarHBondContact O-N 2.88Å; I682-K684 VanDerWaalsContact C-N 3.31Å; I682-K684 PolarHBondContact O-N 3.12Å; K684-H688 WeakPolarHBondContact O-CB 3.34Å; K684-H688 PolarHBondContact O-N 2.85Å |
| 685 | T | 98.2 | Very high | 96.1 | Very high | 21 Ų | 21 | 47.1 Ų | 47.1 | 13% | 0.129 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 178.1 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | Q474 V475 L478 L681 I682 P683 H688 L689 | Q474-T685 HydrophobicContact CB-CG2 4.18Å; Q474-T685 HydrophobicContact CG-CG2 3.74Å; V475-T685 HydrophobicContact CG2-CG2 4.13Å; L478-T685 HydrophobicContact CD1-CG2 4.27Å; L478-T685 VanDerWaalsContact CD1-OG1 3.3Å; L478-T685 WeakPolarHBondContact CD1-OG1 3.36Å; L681-T685 WeakPolarHBondContact O-CB 3.45Å; L681-T685 PolarHBondContact O-N 2.85Å; L681-T685 PolarHBondContact O-OG1 3.25Å; I682-T685 WeakPolarHBondContact O-CB 3.4Å; I682-T685 PolarHBondContact O-N 2.97Å; I682-T685 VanDerWaalsContact O-N 3.15Å; P683-T685 VanDerWaalsContact C-N 3.32Å; P683-T685 PolarHBondContact O-N 2.87Å; T685-H688 PolarHBondContact O-N 2.65Å; T685-L689 HydrophobicContact CG2-CD1 3.92Å; T685-L689 WeakPolarHBondContact O-CB 3.46Å; T685-L689 PolarHBondContact O-N 2.96Å |
| 686 | V | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.6 | -45.4 | 177.3 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | F366 V428 V431 T471 I682 P683 H688 M690 I691 | F366-V686 HydrophobicContact CE1-CB 4.03Å; F366-V686 HydrophobicContact CE1-CG1 4.09Å; F366-V686 HydrophobicContact CE1-CG2 4.48Å; F366-V686 HydrophobicContact CZ-CB 3.91Å; F366-V686 HydrophobicContact CZ-CG1 3.82Å; V428-V686 HydrophobicContact CG2-CG2 3.86Å; V431-V686 HydrophobicContact CB-CG1 4.12Å; V431-V686 HydrophobicContact CG1-CG1 3.75Å; V431-V686 HydrophobicContact CG2-CG1 4.24Å; T471-V686 HydrophobicContact CG2-CG2 4.05Å; I682-V686 WeakPolarHBondContact O-CG2 3.38Å; I682-V686 PolarHBondContact O-N 3.26Å; P683-V686 PolarHBondContact O-N 2.94Å; V686-H688 VanDerWaalsContact C-N 3.34Å; V686-H688 PolarHBondContact O-N 3.33Å; V686-M690 HydrophobicContact CG1-CB 4.32Å; V686-M690 HydrophobicContact CG1-SD 4.28Å; V686-M690 WeakPolarHBondContact O-CA 3.43Å; V686-M690 WeakPolarHBondContact O-CB 3.35Å; V686-M690 PolarHBondContact O-N 3.15Å; V686-I691 PolarHBondContact O-N 3.24Å |
| 687 | M | 97.1 | Very high | 96.6 | Very high | 69 Ų | 69 | 46.2 Ų | 46.2 | 34% | 0.34 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -54.8 | -49.4 | 175.3 | -77.6 | -65.5 | -60.3 | 0 | 0 | 111.7 | F366 P683 I691 N692 | F366-M687 HydrophobicContact CE2-CG 3.81Å; F366-M687 HydrophobicContact CE2-SD 3.83Å; F366-M687 HydrophobicContact CZ-CG 4.3Å; P683-M687 WeakPolarHBondContact O-CB 3.2Å; P683-M687 VanDerWaalsContact O-CG 3.29Å; P683-M687 WeakPolarHBondContact O-CG 3.5Å; P683-M687 PolarHBondContact O-N 2.72Å; M687-I691 HydrophobicContact CE-CG2 4.47Å; M687-I691 HydrophobicContact CG-CD1 4.48Å; M687-I691 PolarHBondContact O-N 3.16Å; M687-I691 HydrophobicContact SD-CB 4.32Å; M687-I691 HydrophobicContact SD-CD1 3.41Å; M687-I691 WeakPolarHBondContact SD-CD1 3.41Å; M687-I691 HydrophobicContact SD-CG1 4.39Å; M687-I691 HydrophobicContact SD-CG2 4.46Å; M687-N692 WeakPolarHBondContact O-CB 3.45Å; M687-N692 VanDerWaalsContact O-CG 3.3Å; M687-N692 PolarHBondContact O-N 3.27Å |
| 688 | H | 97.7 | Very high | 96.7 | Very high | 127 Ų | 127 | 44.3 Ų | 44.3 | 59% | 0.588 | 21% | 0.211 | S | C | * | . | I | π-helix | trans | -71.4 | -51.7 | -176.5 | -179.6 | 63.2 | 0 | 0 | 0 | 112.9 | K684 T685 V686 | K684-H688 WeakPolarHBondContact O-CB 3.34Å; K684-H688 PolarHBondContact O-N 2.85Å; T685-H688 PolarHBondContact O-N 2.65Å; V686-H688 VanDerWaalsContact C-N 3.34Å; V686-H688 PolarHBondContact O-N 3.33Å |
| 689 | L | 97.4 | Very high | 96.6 | Very high | 25 Ų | 25 | 48.3 Ų | 48.3 | 13% | 0.131 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -83.7 | -19.5 | -170.7 | -66.5 | -178.3 | 0 | 0 | 0 | 114.1 | R467 Q474 T685 N693 | R467-L689 VanDerWaalsContact CZ-O 3.23Å; R467-L689 PolarHBondContact NE-O 2.99Å; R467-L689 PolarHBondContact NH2-O 3.38Å; Q474-L689 HydrophobicContact CB-CD1 3.67Å; Q474-L689 HydrophobicContact CG-CD1 3.72Å; T685-L689 HydrophobicContact CG2-CD1 3.92Å; T685-L689 WeakPolarHBondContact O-CB 3.46Å; T685-L689 PolarHBondContact O-N 2.96Å; L689-N693 WeakPolarHBondContact O-CB 3.32Å |
| 690 | M | 96.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -116.2 | -62 | -176.5 | -171.1 | 176.2 | -75.7 | 0 | 0 | 111.7 | V428 V431 I432 L435 E468 T471 V686 T694 | V428-M690 HydrophobicContact CG1-CE 3.68Å; V431-M690 HydrophobicContact CG1-SD 4.32Å; I432-M690 HydrophobicContact CD1-CE 3.75Å; I432-M690 HydrophobicContact CD1-SD 4.38Å; I432-M690 HydrophobicContact CG1-CE 3.48Å; I432-M690 VanDerWaalsContact CG1-CE 3.48Å; I432-M690 HydrophobicContact CG1-SD 3.48Å; I432-M690 WeakPolarHBondContact CG1-SD 3.17Å; L435-M690 HydrophobicContact CD1-CG 3.72Å; L435-M690 HydrophobicContact CD1-SD 3.9Å; E468-M690 HydrophobicContact CB-CE 4.37Å; T471-M690 HydrophobicContact CG2-CE 4.12Å; V686-M690 HydrophobicContact CG1-CB 4.32Å; V686-M690 HydrophobicContact CG1-SD 4.28Å; V686-M690 WeakPolarHBondContact O-CA 3.43Å; V686-M690 WeakPolarHBondContact O-CB 3.35Å; V686-M690 PolarHBondContact O-N 3.15Å; M690-T694 VanDerWaalsContact O-CB 3.25Å; M690-T694 WeakPolarHBondContact O-CB 3.42Å; M690-T694 PolarHBondContact O-N 3.48Å; M690-T694 PolarHBondContact O-OG1 3.1Å |
| 691 | I | 96.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -69.7 | -56.5 | -170.6 | -61.8 | 172.6 | 0 | 0 | 0 | 110.7 | I344 I362 F366 V431 L435 V686 M687 N693 T694 K695 | I344-I691 HydrophobicContact CG2-CG2 3.85Å; I362-I691 HydrophobicContact CD1-CD1 4.13Å; I362-I691 HydrophobicContact CG2-CD1 3.86Å; F366-I691 HydrophobicContact CE2-CD1 4.37Å; F366-I691 HydrophobicContact CZ-CD1 4.29Å; V431-I691 HydrophobicContact CG1-CD1 4Å; V431-I691 HydrophobicContact CG1-CG1 4.33Å; L435-I691 HydrophobicContact CD1-CG1 4.03Å; L435-I691 HydrophobicContact CD2-CG1 4.24Å; V686-I691 PolarHBondContact O-N 3.24Å; M687-I691 HydrophobicContact CE-CG2 4.47Å; M687-I691 HydrophobicContact CG-CD1 4.48Å; M687-I691 PolarHBondContact O-N 3.16Å; M687-I691 HydrophobicContact SD-CB 4.32Å; M687-I691 HydrophobicContact SD-CD1 3.41Å; M687-I691 WeakPolarHBondContact SD-CD1 3.41Å; M687-I691 HydrophobicContact SD-CG1 4.39Å; M687-I691 HydrophobicContact SD-CG2 4.46Å; I691-N693 VanDerWaalsContact C-N 3.3Å; I691-N693 PolarHBondContact O-N 3.36Å; I691-T694 PolarHBondContact O-N 3.38Å; I691-K695 PolarHBondContact O-N 2.98Å |
| 692 | N | 96.4 | Very high | 96.6 | Very high | 76 Ų | 76 | 44.7 Ų | 44.7 | 41% | 0.406 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -63.5 | -38.6 | -179.7 | -68.4 | -7.9 | 0 | 0 | 0 | 111.5 | M687 K695 E696 | M687-N692 WeakPolarHBondContact O-CB 3.45Å; M687-N692 VanDerWaalsContact O-CG 3.3Å; M687-N692 PolarHBondContact O-N 3.27Å; N692-K695 PolarHBondContact O-N 3.38Å; N692-E696 WeakPolarHBondContact O-CB 3.23Å; N692-E696 PolarHBondContact O-N 2.82Å |
| 693 | N | 97.6 | Very high | 96.4 | Very high | 37 Ų | 37 | 46.9 Ų | 46.9 | 20% | 0.198 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68 | -35.2 | 177.2 | -171.3 | -105 | 0 | 0 | 0 | 112.8 | H463 R467 L689 I691 F697 | H463-N693 PolarHBondContact NE2-OD1 3.46Å; R467-N693 WeakPolarHBondContact CD-OD1 3.4Å; R467-N693 VanDerWaalsContact CZ-OD1 3.28Å; R467-N693 PolarHBondContact NE-OD1 3.16Å; R467-N693 PolarHBondContact NH1-OD1 3.02Å; L689-N693 WeakPolarHBondContact O-CB 3.32Å; I691-N693 VanDerWaalsContact C-N 3.3Å; I691-N693 PolarHBondContact O-N 3.36Å; N693-F697 WeakPolarHBondContact O-CB 3.27Å; N693-F697 PolarHBondContact O-N 3.29Å |
| 694 | T | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.2 | -41.6 | 173.5 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | F340 V460 I464 M690 I691 E696 F697 I698 | F340-T694 HydrophobicContact CE1-CG2 4.49Å; F340-T694 HydrophobicContact CZ-CG2 4.17Å; V460-T694 HydrophobicContact CG1-CG2 4.3Å; I464-T694 HydrophobicContact CD1-CG2 4.2Å; I464-T694 HydrophobicContact CG1-CG2 3.83Å; M690-T694 VanDerWaalsContact O-CB 3.25Å; M690-T694 WeakPolarHBondContact O-CB 3.42Å; M690-T694 PolarHBondContact O-N 3.48Å; M690-T694 PolarHBondContact O-OG1 3.1Å; I691-T694 PolarHBondContact O-N 3.38Å; T694-E696 VanDerWaalsContact C-N 3.35Å; T694-E696 PolarHBondContact O-N 3.27Å; T694-F697 PolarHBondContact O-N 3.18Å; T694-I698 HydrophobicContact CG2-CD1 3.93Å; T694-I698 HydrophobicContact CG2-CG1 4.46Å; T694-I698 VanDerWaalsContact O-CG1 3.29Å; T694-I698 WeakPolarHBondContact O-CG1 3.15Å; T694-I698 PolarHBondContact O-N 3.26Å |
| 695 | K | 95.8 | Very high | 95.8 | Very high | 50 Ų | 50 | 47.3 Ų | 47.3 | 22% | 0.217 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 174.4 | -178.4 | -177.7 | 174.3 | 180 | 0 | 112 | E341 E345 I691 N692 N699 | E341-K695 VanDerWaalsContact CD-NZ 3.31Å; E341-K695 WeakPolarHBondContact OE1-CE 3.36Å; E341-K695 IonicContact OE1-NZ 2.6Å; E341-K695 PolarHBondContact OE1-NZ 2.93Å; E345-K695 IonicContact OE1-NZ 3Å; E345-K695 PolarHBondContact OE1-NZ 3.49Å; I691-K695 PolarHBondContact O-N 2.98Å; N692-K695 PolarHBondContact O-N 3.38Å; K695-N699 PolarHBondContact O-N 2.97Å; K695-N699 PolarHBondContact O-ND2 3.42Å |
| 696 | E | 96.4 | Very high | 95.4 | Very high | 128 Ų | 128 | 46.4 Ų | 46.4 | 60% | 0.598 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -64.8 | -43.8 | 177.2 | -170.7 | 174.7 | -163 | 0 | 0 | 111.4 | N692 T694 I698 N699 A700 | N692-E696 WeakPolarHBondContact O-CB 3.23Å; N692-E696 PolarHBondContact O-N 2.82Å; T694-E696 VanDerWaalsContact C-N 3.35Å; T694-E696 PolarHBondContact O-N 3.27Å; E696-I698 PolarHBondContact O-N 3.4Å; E696-N699 PolarHBondContact O-N 3.3Å; E696-A700 VanDerWaalsContact O-CB 3.3Å; E696-A700 WeakPolarHBondContact O-CB 3.41Å; E696-A700 PolarHBondContact O-N 3.35Å |
| 697 | F | 97.4 | Very high | 94.8 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 175.5 | 173 | -98.8 | 0 | 0 | 0 | 112.9 | I459 H463 N693 T694 N699 A700 E701 L702 | I459-F697 HydrophobicContact CG2-CE1 3.89Å; I459-F697 HydrophobicContact CG2-CZ 3.69Å; H463-F697 HydrophobicContact CB-CD1 3.92Å; H463-F697 HydrophobicContact CB-CE1 3.73Å; H463-F697 HydrophobicContact CB-CG 4.41Å; H463-F697 HydrophobicContact CB-CZ 4.07Å; H463-F697 AromaticContact CD2-CD1 3.65Å; H463-F697 AromaticContact CD2-CG 3.6Å; H463-F697 AromaticContact CE1-CD2 3.64Å; H463-F697 AromaticContact CE1-CG 3.65Å; H463-F697 AromaticContact CG-CD1 3.64Å; H463-F697 AromaticContact CG-CD2 3.99Å; H463-F697 AromaticContact CG-CE1 3.92Å; H463-F697 AromaticContact CG-CG 3.68Å; H463-F697 AromaticContact ND1-CD2 3.63Å; H463-F697 AromaticContact ND1-CE2 3.91Å; H463-F697 AromaticContact ND1-CG 3.76Å; H463-F697 VanDerWaalsContact NE2-CB 3.34Å; H463-F697 WeakPolarHBondContact NE2-CB 3.35Å; H463-F697 AromaticContact NE2-CG 3.57Å; N693-F697 WeakPolarHBondContact O-CB 3.27Å; N693-F697 PolarHBondContact O-N 3.29Å; T694-F697 PolarHBondContact O-N 3.18Å; F697-N699 VanDerWaalsContact C-N 3.27Å; F697-N699 PolarHBondContact O-N 3.02Å; F697-A700 PolarHBondContact O-N 3.38Å; F697-E701 HydrophobicContact CD2-CB 3.68Å; F697-E701 HydrophobicContact CD2-CG 4.35Å; F697-E701 HydrophobicContact CE2-CB 3.8Å; F697-E701 PolarHBondContact O-N 3.38Å; F697-L702 PolarHBondContact O-N 2.97Å |
| 698 | I | 96.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 178.2 | -69.7 | 167.4 | 0 | 0 | 0 | 111 | F336 F340 V460 T694 E696 L702 | F336-I698 HydrophobicContact CD1-CG2 3.82Å; F336-I698 HydrophobicContact CE1-CD1 4.03Å; F336-I698 HydrophobicContact CE1-CG1 4.15Å; F336-I698 HydrophobicContact CE1-CG2 3.7Å; F336-I698 HydrophobicContact CZ-CD1 4.48Å; F340-I698 HydrophobicContact CB-CD1 4.49Å; F340-I698 HydrophobicContact CD1-CD1 3.59Å; F340-I698 HydrophobicContact CD2-CD1 4.08Å; F340-I698 HydrophobicContact CE1-CD1 3.71Å; F340-I698 HydrophobicContact CE2-CD1 4.19Å; F340-I698 HydrophobicContact CG-CD1 3.78Å; F340-I698 HydrophobicContact CZ-CD1 4.01Å; V460-I698 HydrophobicContact CG1-CD1 3.92Å; V460-I698 HydrophobicContact CG1-CG1 4.11Å; V460-I698 HydrophobicContact CG2-CG1 4.15Å; T694-I698 HydrophobicContact CG2-CD1 3.93Å; T694-I698 HydrophobicContact CG2-CG1 4.46Å; T694-I698 VanDerWaalsContact O-CG1 3.29Å; T694-I698 WeakPolarHBondContact O-CG1 3.15Å; T694-I698 PolarHBondContact O-N 3.26Å; E696-I698 PolarHBondContact O-N 3.4Å; I698-L702 HydrophobicContact CG2-CD2 4.03Å; I698-L702 WeakPolarHBondContact O-CB 3.46Å |
| 699 | N | 93.4 | Very high | 93.1 | Very high | 91 Ų | 91 | 47.5 Ų | 47.5 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -76.7 | -39.6 | -179 | -82.3 | -63.6 | 0 | 0 | 0 | 113.9 | S337 K695 E696 F697 | S337-N699 PolarHBondContact OG-ND2 3.23Å; S337-N699 PolarHBondContact OG-OD1 3.36Å; K695-N699 PolarHBondContact O-N 2.97Å; K695-N699 PolarHBondContact O-ND2 3.42Å; E696-N699 PolarHBondContact O-N 3.3Å; F697-N699 VanDerWaalsContact C-N 3.27Å; F697-N699 PolarHBondContact O-N 3.02Å |
| 700 | A | 93.5 | Very high | 91.7 | Very high | 70 Ų | 70 | 48.8 Ų | 48.8 | 58% | 0.579 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -101.7 | -33.4 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E696 F697 | E696-A700 VanDerWaalsContact O-CB 3.3Å; E696-A700 WeakPolarHBondContact O-CB 3.41Å; E696-A700 PolarHBondContact O-N 3.35Å; F697-A700 PolarHBondContact O-N 3.38Å |
| 701 | E | 95.3 | Very high | 90.9 | Very high | 105 Ų | 105 | 53.3 Ų | 53.3 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -29.8 | -166.5 | -66.4 | -174.2 | -150.3 | 0 | 0 | 113.8 | F697 L703 A704 Q705 | F697-E701 HydrophobicContact CD2-CB 3.68Å; F697-E701 HydrophobicContact CD2-CG 4.35Å; F697-E701 HydrophobicContact CE2-CB 3.8Å; F697-E701 PolarHBondContact O-N 3.38Å; E701-L703 VanDerWaalsContact C-N 3.3Å; E701-L703 PolarHBondContact O-N 3.42Å; E701-A704 WeakPolarHBondContact O-CB 3.46Å; E701-A704 PolarHBondContact O-N 3.5Å; E701-Q705 PolarHBondContact O-N 3.49Å |
| 702 | L | 95.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -54.7 | -44 | -175.5 | 176.7 | 60.9 | 0 | 0 | 0 | 112.9 | V333 F336 M456 I459 V460 F697 I698 A704 Q705 L706 | V333-L702 HydrophobicContact CG1-CD2 4.33Å; V333-L702 HydrophobicContact CG1-CG 4.47Å; F336-L702 HydrophobicContact CD1-CD2 3.81Å; F336-L702 HydrophobicContact CE1-CD2 3.82Å; M456-L702 HydrophobicContact CE-CD2 4.14Å; M456-L702 HydrophobicContact CG-CD1 4.42Å; M456-L702 HydrophobicContact CG-CD2 4.15Å; M456-L702 HydrophobicContact SD-CD2 4.36Å; I459-L702 HydrophobicContact CB-CD1 4.21Å; I459-L702 HydrophobicContact CG2-CD1 3.7Å; V460-L702 HydrophobicContact CG2-CD1 3.86Å; V460-L702 HydrophobicContact CG2-CD2 4.02Å; F697-L702 PolarHBondContact O-N 2.97Å; I698-L702 HydrophobicContact CG2-CD2 4.03Å; I698-L702 WeakPolarHBondContact O-CB 3.46Å; L702-A704 VanDerWaalsContact C-N 3.34Å; L702-A704 PolarHBondContact O-N 2.94Å; L702-Q705 PolarHBondContact O-N 3.02Å; L702-L706 HydrophobicContact CD1-CD1 4.1Å; L702-L706 HydrophobicContact CD1-CG 4.26Å; L702-L706 HydrophobicContact CG-CD1 4.02Å; L702-L706 WeakPolarHBondContact O-CG 3.35Å; L702-L706 PolarHBondContact O-N 3.07Å |
| 703 | L | 92.3 | Very high | 89 | Confident | 48 Ų | 48 | 55.8 Ų | 55.8 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 178.3 | -175.1 | 62.5 | 0 | 0 | 0 | 111 | L329 L330 V333 E701 Q705 L706 Y707 | L329-L703 HydrophobicContact CG-CD1 4.32Å; L330-L703 HydrophobicContact CD1-CD2 4.37Å; V333-L703 HydrophobicContact CB-CD1 4.17Å; V333-L703 HydrophobicContact CG1-CB 4.13Å; V333-L703 HydrophobicContact CG1-CD1 4.3Å; V333-L703 HydrophobicContact CG2-CD1 3.9Å; E701-L703 VanDerWaalsContact C-N 3.3Å; E701-L703 PolarHBondContact O-N 3.42Å; L703-Q705 VanDerWaalsContact C-N 3.31Å; L703-Q705 PolarHBondContact O-N 2.86Å; L703-L706 PolarHBondContact O-N 3.45Å; L703-Y707 HydrophobicContact CD1-CD2 4.04Å; L703-Y707 HydrophobicContact CD1-CE2 3.54Å; L703-Y707 HydrophobicContact CD2-CE2 4.23Å; L703-Y707 HydrophobicContact CG-CD2 3.89Å; L703-Y707 HydrophobicContact CG-CE2 3.65Å; L703-Y707 WeakPolarHBondContact O-CD2 3.44Å; L703-Y707 PolarHBondContact O-N 3.43Å |
| 704 | A | 91.4 | Very high | 88.4 | Confident | 63 Ų | 63 | 57.2 Ų | 57.2 | 52% | 0.521 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.7 | -35.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.1 | E701 L702 Y707 S708 | E701-A704 WeakPolarHBondContact O-CB 3.46Å; E701-A704 PolarHBondContact O-N 3.5Å; L702-A704 VanDerWaalsContact C-N 3.34Å; L702-A704 PolarHBondContact O-N 2.94Å; A704-Y707 PolarHBondContact O-N 3.32Å; A704-S708 PolarHBondContact O-N 3.48Å |
| 705 | Q | 91.9 | Very high | 87.9 | Confident | 70 Ų | 70 | 58.2 Ų | 58.2 | 33% | 0.327 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.7 | -43.6 | 174.1 | -66.3 | -159.5 | 5.1 | 0 | 0 | 112.1 | I459 E701 L702 L703 Y707 S708 C709 | I459-Q705 HydrophobicContact CD1-CB 4.17Å; I459-Q705 HydrophobicContact CG2-CB 4.4Å; E701-Q705 PolarHBondContact O-N 3.49Å; L702-Q705 PolarHBondContact O-N 3.02Å; L703-Q705 VanDerWaalsContact C-N 3.31Å; L703-Q705 PolarHBondContact O-N 2.86Å; Q705-Y707 PolarHBondContact O-N 2.81Å; Q705-S708 WeakPolarHBondContact CA-OG 3.37Å; Q705-S708 PolarHBondContact O-N 3.2Å; Q705-S708 PolarHBondContact O-OG 3.44Å; Q705-C709 PolarHBondContact O-N 3.38Å; Q705-C709 VanDerWaalsContact O-N 3.07Å; Q705-C709 PolarHBondContact O-SG 3.5Å |
| 706 | L | 90.7 | Very high | 87.4 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.9 | -33.1 | 175.1 | -71.7 | 166.5 | 0 | 0 | 0 | 112.1 | L329 V333 L452 E455 M456 I459 L702 L703 S708 L715 | L329-L706 HydrophobicContact CD1-CD1 4.42Å; V333-L706 HydrophobicContact CG2-CD1 3.56Å; L452-L706 HydrophobicContact CD1-CD1 4.16Å; L452-L706 HydrophobicContact CD1-CD2 4.09Å; E455-L706 HydrophobicContact CB-CD2 4.32Å; E455-L706 HydrophobicContact CG-CD2 4Å; M456-L706 HydrophobicContact CE-CD1 3.65Å; I459-L706 HydrophobicContact CD1-CD2 3.76Å; I459-L706 HydrophobicContact CD1-CG 4.14Å; L702-L706 HydrophobicContact CD1-CD1 4.1Å; L702-L706 HydrophobicContact CD1-CG 4.26Å; L702-L706 HydrophobicContact CG-CD1 4.02Å; L702-L706 WeakPolarHBondContact O-CG 3.35Å; L702-L706 PolarHBondContact O-N 3.07Å; L703-L706 PolarHBondContact O-N 3.45Å; L706-S708 VanDerWaalsContact C-N 3.34Å; L706-L715 HydrophobicContact CB-CD2 4.4Å; L706-L715 HydrophobicContact CD2-CD2 4.28Å |
| 707 | Y | 85.1 | Confident | 86.9 | Confident | 70 Ų | 70 | 55.7 Ų | 55.7 | 28% | 0.275 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.9 | -25.6 | 172.4 | -85.3 | -67.5 | 0 | 0 | 0 | 114.3 | T326 L329 L703 A704 Q705 Q712 | T326-Y707 WeakPolarHBondContact CG2-OH 3.17Å; L329-Y707 HydrophobicContact CD2-CE1 4.11Å; L329-Y707 HydrophobicContact CD2-CE2 4.23Å; L703-Y707 HydrophobicContact CD1-CD2 4.04Å; L703-Y707 HydrophobicContact CD1-CE2 3.54Å; L703-Y707 HydrophobicContact CD2-CE2 4.23Å; L703-Y707 HydrophobicContact CG-CD2 3.89Å; L703-Y707 HydrophobicContact CG-CE2 3.65Å; L703-Y707 WeakPolarHBondContact O-CD2 3.44Å; L703-Y707 PolarHBondContact O-N 3.43Å; A704-Y707 PolarHBondContact O-N 3.32Å; Q705-Y707 PolarHBondContact O-N 2.81Å; Y707-Q712 HydrophobicContact CD1-CG 4.34Å; Y707-Q712 HydrophobicContact CE1-CG 4.47Å |
| 708 | S | 85.9 | Confident | 86.1 | Confident | 94 Ų | 94 | 57 Ų | 57 | 66% | 0.657 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -92.4 | -14.2 | -179 | 68.4 | 0 | 0 | 0 | 0 | 113.8 | A704 Q705 L706 G710 | A704-S708 PolarHBondContact O-N 3.48Å; Q705-S708 WeakPolarHBondContact CA-OG 3.37Å; Q705-S708 PolarHBondContact O-N 3.2Å; Q705-S708 PolarHBondContact O-OG 3.44Å; L706-S708 VanDerWaalsContact C-N 3.34Å; S708-G710 VanDerWaalsContact C-N 3.31Å; S708-G710 PolarHBondContact O-N 3.44Å |
| 709 | C | 72.4 | Confident | 85.6 | Confident | 56 Ų | 56 | 58.1 Ų | 58.1 | 38% | 0.378 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -75.5 | -2.7 | -175.1 | -73.1 | 0 | 0 | 0 | 0 | 116.1 | E455 Q705 | E455-C709 HydrophobicContact CG-CB 4.27Å; E455-C709 WeakPolarHBondContact OE1-CB 3.13Å; E455-C709 PolarHBondContact OE1-SG 2.98Å; Q705-C709 PolarHBondContact O-N 3.38Å; Q705-C709 VanDerWaalsContact O-N 3.07Å; Q705-C709 PolarHBondContact O-SG 3.5Å |
| 710 | G | 68.6 | Low | 85.2 | Confident | 51 Ų | 51 | 61 Ų | 61 | 53% | 0.526 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 139.1 | -148.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S708 Q712 | S708-G710 VanDerWaalsContact C-N 3.31Å; S708-G710 PolarHBondContact O-N 3.44Å; G710-Q712 PolarHBondContact O-N 3.47Å |
| 711 | D | 79 | Confident | 84.6 | Confident | 95 Ų | 95 | 65.3 Ų | 65.3 | 51% | 0.508 | 36% | 0.358 | S | S | . | . | trans | -70.3 | 111.1 | -179.6 | -171.8 | -2.2 | 0 | 0 | 0 | 110.9 | N713 T714 L715 | D711-N713 PolarHBondContact O-N 3.29Å; D711-N713 VanDerWaalsContact O-N 3.08Å; D711-N713 VanDerWaalsContact OD1-CB 3.29Å; D711-N713 WeakPolarHBondContact OD1-CB 3.27Å; D711-N713 PolarHBondContact OD1-N 2.93Å; D711-N713 PolarHBondContact OD1-ND2 3.39Å; D711-N713 VanDerWaalsContact OD1-ND2 3.09Å; D711-T714 PolarHBondContact O-N 3.12Å; D711-T714 VanDerWaalsContact O-N 3.07Å; D711-L715 PolarHBondContact O-N 2.81Å | ||
| 712 | Q | 75.3 | Confident | 83.9 | Confident | 62 Ų | 62 | 62.5 Ų | 62.5 | 29% | 0.29 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -55.7 | -25.7 | 176.7 | -65.4 | 168 | 22.8 | 0 | 0 | 112.3 | Y707 G710 M716 | Y707-Q712 HydrophobicContact CD1-CG 4.34Å; Y707-Q712 HydrophobicContact CE1-CG 4.47Å; G710-Q712 PolarHBondContact O-N 3.47Å; Q712-M716 WeakPolarHBondContact O-CB 3.31Å; Q712-M716 WeakPolarHBondContact O-CG 3.4Å; Q712-M716 PolarHBondContact O-N 2.87Å; Q712-M716 VanDerWaalsContact O-N 3.16Å |
| 713 | N | 78.9 | Confident | 83.2 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 178.1 | -69.2 | -54.3 | 0 | 0 | 0 | 112.6 | K325 D711 E717 | K325-N713 WeakPolarHBondContact CD-OD1 3.45Å; K325-N713 PolarHBondContact NZ-OD1 2.96Å; D711-N713 PolarHBondContact O-N 3.29Å; D711-N713 VanDerWaalsContact O-N 3.08Å; D711-N713 VanDerWaalsContact OD1-CB 3.29Å; D711-N713 WeakPolarHBondContact OD1-CB 3.27Å; D711-N713 PolarHBondContact OD1-N 2.93Å; D711-N713 PolarHBondContact OD1-ND2 3.39Å; D711-N713 VanDerWaalsContact OD1-ND2 3.09Å; N713-E717 PolarHBondContact O-N 3.47Å |
| 714 | T | 85 | Confident | 82.8 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -72.9 | -37.5 | 177.6 | -48.9 | 0 | 0 | 0 | 0 | 111 | D711 M716 E717 | D711-T714 PolarHBondContact O-N 3.12Å; D711-T714 VanDerWaalsContact O-N 3.07Å; T714-M716 VanDerWaalsContact C-N 3.27Å; T714-M716 PolarHBondContact O-N 3.2Å; T714-E717 WeakPolarHBondContact O-CB 3.5Å; T714-E717 PolarHBondContact O-N 3.46Å |
| 715 | L | 86.2 | Confident | 82.3 | Confident | 20 Ų | 20 | 67.2 Ų | 67.2 | 11% | 0.105 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62 | -37.6 | 178.2 | -168.5 | 70.1 | 0 | 0 | 0 | 112.2 | L329 L452 E455 L706 D711 | L329-L715 HydrophobicContact CD1-CD2 4.25Å; L452-L715 HydrophobicContact CB-CD1 4.4Å; L452-L715 HydrophobicContact CB-CG 4.2Å; L452-L715 WeakPolarHBondContact CB-O 3.22Å; L452-L715 HydrophobicContact CD1-CD1 4.38Å; L452-L715 HydrophobicContact CD1-CD2 3.92Å; L452-L715 HydrophobicContact CD1-CG 4.02Å; L452-L715 PolarHBondContact N-O 3.49Å; L452-L715 VanDerWaalsContact N-O 3.13Å; E455-L715 HydrophobicContact CB-CD1 3.79Å; E455-L715 HydrophobicContact CG-CD1 4.13Å; L706-L715 HydrophobicContact CB-CD2 4.4Å; L706-L715 HydrophobicContact CD2-CD2 4.28Å; D711-L715 PolarHBondContact O-N 2.81Å |
| 716 | M | 85.6 | Confident | 81.8 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 3% | 0.034 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 25.4 | -178.3 | -62.4 | -61.4 | -61.7 | 0 | 0 | 112.9 | K325 A328 L329 Y449 L452 Q712 T714 | K325-M716 HydrophobicContact CB-CB 4.27Å; K325-M716 HydrophobicContact CB-CG 4.28Å; K325-M716 HydrophobicContact CD-CB 4.16Å; K325-M716 HydrophobicContact CG-CB 4.21Å; A328-M716 HydrophobicContact CB-CE 3.71Å; L329-M716 HydrophobicContact CB-CE 4.35Å; L329-M716 HydrophobicContact CB-SD 3.86Å; L329-M716 HydrophobicContact CD1-SD 4Å; L329-M716 HydrophobicContact CG-SD 4.48Å; Y449-M716 HydrophobicContact CD1-CE 4.01Å; Y449-M716 HydrophobicContact CD2-CE 4.22Å; Y449-M716 HydrophobicContact CE1-CE 3.81Å; Y449-M716 HydrophobicContact CE2-CE 4.06Å; Y449-M716 HydrophobicContact CG-CE 4.19Å; L452-M716 HydrophobicContact CD2-SD 3.88Å; Q712-M716 WeakPolarHBondContact O-CB 3.31Å; Q712-M716 WeakPolarHBondContact O-CG 3.4Å; Q712-M716 PolarHBondContact O-N 2.87Å; Q712-M716 VanDerWaalsContact O-N 3.16Å; T714-M716 VanDerWaalsContact C-N 3.27Å; T714-M716 PolarHBondContact O-N 3.2Å |
| 717 | E | 84.3 | Confident | 81.4 | Confident | 119 Ų | 119 | 68.6 Ų | 68.6 | 56% | 0.556 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 131 | 172.9 | -166.9 | 168.9 | -171.1 | 0 | 0 | 110.2 | N713 T714 | N713-E717 PolarHBondContact O-N 3.47Å; T714-E717 WeakPolarHBondContact O-CB 3.5Å; T714-E717 PolarHBondContact O-N 3.46Å |
| 718 | E | 81.9 | Confident | 81.2 | Confident | 33 Ų | 33 | 70.1 Ų | 70.1 | 15% | 0.154 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 148.8 | 179 | -63.7 | -174.3 | 140.9 | 0 | 0 | 110.7 | F317 Y449 R726 | F317-E718 VanDerWaalsContact CE2-OE1 3.25Å; F317-E718 WeakPolarHBondContact CE2-OE1 3.29Å; F317-E718 VanDerWaalsContact CZ-CD 3.48Å; F317-E718 HydrophobicContact CZ-CG 4.5Å; F317-E718 WeakPolarHBondContact CZ-OE1 3.37Å; F317-E718 WeakPolarHBondContact CZ-OE2 3.42Å; Y449-E718 HydrophobicContact CE1-CG 4.09Å; E718-R726 IonicContact OE1-NE 3.36Å; E718-R726 IonicContact OE2-CZ 3.68Å; E718-R726 IonicContact OE2-NE 2.83Å; E718-R726 PolarHBondContact OE2-NE 3.32Å; E718-R726 IonicContact OE2-NH2 3.41Å; E718-R726 PolarHBondContact OE2-NH2 2.83Å |
| 719 | S | 85.6 | Confident | 81 | Confident | 27 Ų | 27 | 66.4 Ų | 66.4 | 19% | 0.189 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 150.5 | 168.9 | 75 | 0 | 0 | 0 | 0 | 111.6 | Q448 E721 Q722 A723 | Q448-S719 PolarHBondContact O-N 2.99Å; Q448-S719 VanDerWaalsContact O-N 3.09Å; S719-E721 PolarHBondContact O-N 3.08Å; S719-Q722 PolarHBondContact O-N 3.37Å; S719-Q722 VanDerWaalsContact O-N 3.13Å; S719-Q722 WeakPolarHBondContact OG-CB 3.22Å; S719-Q722 PolarHBondContact OG-N 3.25Å; S719-A723 PolarHBondContact O-N 2.83Å |
| 720 | Q | 84.5 | Confident | 81.5 | Confident | 152 Ų | 152 | 65.7 Ų | 65.7 | 71% | 0.71 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.8 | -36.6 | 178.7 | -170.3 | 175.5 | 17.6 | 0 | 0 | 112.1 | A723 Q724 | Q720-A723 PolarHBondContact O-N 3.25Å; Q720-Q724 WeakPolarHBondContact O-CB 3.35Å; Q720-Q724 VanDerWaalsContact O-CG 3.3Å; Q720-Q724 WeakPolarHBondContact O-CG 2.98Å; Q720-Q724 PolarHBondContact O-N 3.39Å |
| 721 | E | 81.8 | Confident | 82 | Confident | 160 Ų | 160 | 70.8 Ų | 70.8 | 75% | 0.748 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.3 | -44.7 | 175.4 | -66.1 | 179 | 177.7 | 0 | 0 | 111.5 | S719 Q724 H725 | S719-E721 PolarHBondContact O-N 3.08Å; E721-Q724 PolarHBondContact O-N 2.98Å; E721-H725 WeakPolarHBondContact O-CB 3.35Å; E721-H725 PolarHBondContact O-N 2.91Å |
| 722 | Q | 80.8 | Confident | 82.1 | Confident | 45 Ų | 45 | 66.9 Ų | 66.9 | 21% | 0.21 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 178 | -168.8 | 71.8 | 21.1 | 0 | 0 | 111.6 | Y314 Q448 S719 H725 R726 | Y314-Q722 PolarHBondContact OH-NE2 3.24Å; Q448-Q722 HydrophobicContact CG-CG 3.92Å; S719-Q722 PolarHBondContact O-N 3.37Å; S719-Q722 VanDerWaalsContact O-N 3.13Å; S719-Q722 WeakPolarHBondContact OG-CB 3.22Å; S719-Q722 PolarHBondContact OG-N 3.25Å; Q722-H725 PolarHBondContact O-N 2.85Å; Q722-R726 WeakPolarHBondContact O-CB 3.38Å; Q722-R726 PolarHBondContact O-N 3.24Å |
| 723 | A | 80.9 | Confident | 82.6 | Confident | 27 Ų | 27 | 64.4 Ų | 64.4 | 22% | 0.223 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.2 | -45 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S719 Q720 R726 D727 | S719-A723 PolarHBondContact O-N 2.83Å; Q720-A723 PolarHBondContact O-N 3.25Å; A723-R726 PolarHBondContact O-N 2.9Å; A723-D727 PolarHBondContact O-N 3.11Å |
| 724 | Q | 82.4 | Confident | 82.8 | Confident | 103 Ų | 103 | 67 Ų | 67 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 174.5 | -74.7 | 175.7 | 3.3 | 0 | 0 | 111.6 | Q720 E721 R726 D727 E728 | Q720-Q724 WeakPolarHBondContact O-CB 3.35Å; Q720-Q724 VanDerWaalsContact O-CG 3.3Å; Q720-Q724 WeakPolarHBondContact O-CG 2.98Å; Q720-Q724 PolarHBondContact O-N 3.39Å; E721-Q724 PolarHBondContact O-N 2.98Å; Q724-R726 VanDerWaalsContact C-N 3.34Å; Q724-R726 PolarHBondContact O-N 3.11Å; Q724-D727 PolarHBondContact O-N 2.9Å; Q724-E728 WeakPolarHBondContact O-CG 3.35Å; Q724-E728 PolarHBondContact O-N 3.37Å |
| 725 | H | 81.6 | Confident | 82.5 | Confident | 81 Ų | 81 | 64 Ų | 64 | 38% | 0.375 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 178.3 | -173.8 | 62.2 | 0 | 0 | 0 | 111.8 | E721 Q722 D727 E728 M729 | E721-H725 WeakPolarHBondContact O-CB 3.35Å; E721-H725 PolarHBondContact O-N 2.91Å; Q722-H725 PolarHBondContact O-N 2.85Å; H725-D727 PolarHBondContact O-N 2.76Å; H725-E728 PolarHBondContact O-N 3.35Å; H725-M729 WeakPolarHBondContact O-CB 3.16Å; H725-M729 VanDerWaalsContact O-CG 3.29Å; H725-M729 WeakPolarHBondContact O-CG 3.43Å; H725-M729 PolarHBondContact O-N 2.69Å |
| 726 | R | 81.5 | Confident | 82.4 | Confident | 31 Ų | 31 | 63 Ų | 63 | 12% | 0.117 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 175.1 | 178.8 | 167.6 | 59.8 | 82.1 | -1.2 | 111.8 | Y314 F317 E718 Q722 A723 Q724 M729 L730 | Y314-R726 VanDerWaalsContact CD1-CD 3.46Å; Y314-R726 HydrophobicContact CD1-CG 3.76Å; Y314-R726 HydrophobicContact CD2-CG 4.44Å; Y314-R726 HydrophobicContact CE1-CB 4.37Å; Y314-R726 HydrophobicContact CE1-CG 4.05Å; Y314-R726 HydrophobicContact CG-CG 3.99Å; F317-R726 VanDerWaalsContact CD1-NH1 3.3Å; F317-R726 VanDerWaalsContact CE1-NH1 3.33Å; F317-R726 VanDerWaalsContact CE1-NH2 3.3Å; E718-R726 IonicContact OE1-NE 3.36Å; E718-R726 IonicContact OE2-CZ 3.68Å; E718-R726 IonicContact OE2-NE 2.83Å; E718-R726 PolarHBondContact OE2-NE 3.32Å; E718-R726 IonicContact OE2-NH2 3.41Å; E718-R726 PolarHBondContact OE2-NH2 2.83Å; Q722-R726 WeakPolarHBondContact O-CB 3.38Å; Q722-R726 PolarHBondContact O-N 3.24Å; A723-R726 PolarHBondContact O-N 2.9Å; Q724-R726 VanDerWaalsContact C-N 3.34Å; Q724-R726 PolarHBondContact O-N 3.11Å; R726-M729 PolarHBondContact O-N 2.9Å; R726-L730 HydrophobicContact CG-CD1 4.24Å; R726-L730 WeakPolarHBondContact O-CG 3.44Å; R726-L730 PolarHBondContact O-N 3.06Å |
| 727 | D | 81.4 | Confident | 82.4 | Confident | 70 Ų | 70 | 69.3 Ų | 69.3 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 178.5 | -78.6 | -6.6 | 0 | 0 | 0 | 112.1 | A723 Q724 H725 L730 R731 | A723-D727 PolarHBondContact O-N 3.11Å; Q724-D727 PolarHBondContact O-N 2.9Å; H725-D727 PolarHBondContact O-N 2.76Å; D727-L730 PolarHBondContact O-N 3.23Å; D727-R731 WeakPolarHBondContact O-CB 3.4Å; D727-R731 VanDerWaalsContact O-CG 3.26Å; D727-R731 WeakPolarHBondContact O-CG 3.31Å; D727-R731 PolarHBondContact O-N 2.93Å |
| 728 | E | 81.1 | Confident | 82.3 | Confident | 101 Ų | 101 | 69 Ų | 69 | 47% | 0.472 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 175 | -74.2 | 177.8 | -178 | 0 | 0 | 112 | Q724 H725 R731 M732 | Q724-E728 WeakPolarHBondContact O-CG 3.35Å; Q724-E728 PolarHBondContact O-N 3.37Å; H725-E728 PolarHBondContact O-N 3.35Å; E728-R731 PolarHBondContact O-N 2.81Å; E728-M732 WeakPolarHBondContact O-CB 3.42Å; E728-M732 PolarHBondContact O-N 3.41Å |
| 729 | M | 82 | Confident | 82.1 | Confident | 16 Ų | 16 | 67.5 Ų | 67.5 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 177.2 | -73.7 | -156.9 | 74.3 | 0 | 0 | 112.3 | I307 E310 V311 Y314 H725 R726 M732 Y733 | I307-M729 HydrophobicContact CB-CE 4.38Å; I307-M729 HydrophobicContact CG1-CE 4.31Å; I307-M729 HydrophobicContact CG2-CE 3.84Å; E310-M729 HydrophobicContact CB-CE 3.5Å; E310-M729 VanDerWaalsContact CB-CE 3.5Å; E310-M729 HydrophobicContact CB-SD 4.15Å; E310-M729 HydrophobicContact CG-CE 4.22Å; E310-M729 WeakPolarHBondContact OE2-CE 3.46Å; V311-M729 HydrophobicContact CG2-CB 4.39Å; V311-M729 HydrophobicContact CG2-CE 4.35Å; Y314-M729 HydrophobicContact CE2-SD 3.9Å; H725-M729 WeakPolarHBondContact O-CB 3.16Å; H725-M729 VanDerWaalsContact O-CG 3.29Å; H725-M729 WeakPolarHBondContact O-CG 3.43Å; H725-M729 PolarHBondContact O-N 2.69Å; R726-M729 PolarHBondContact O-N 2.9Å; M729-M732 PolarHBondContact O-N 3.29Å; M729-Y733 WeakPolarHBondContact O-CB 3.49Å; M729-Y733 PolarHBondContact O-N 3.4Å |
| 730 | L | 82.8 | Confident | 82 | Confident | 41 Ų | 41 | 67.4 Ų | 67.4 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 177 | -73.3 | 172.2 | 0 | 0 | 0 | 111.4 | V311 R726 D727 M732 Y733 H734 | V311-L730 HydrophobicContact CG1-CD2 3.95Å; R726-L730 HydrophobicContact CG-CD1 4.24Å; R726-L730 WeakPolarHBondContact O-CG 3.44Å; R726-L730 PolarHBondContact O-N 3.06Å; D727-L730 PolarHBondContact O-N 3.23Å; L730-M732 VanDerWaalsContact C-N 3.32Å; L730-M732 PolarHBondContact O-N 3.4Å; L730-Y733 PolarHBondContact O-N 2.92Å; L730-H734 PolarHBondContact O-CD2 2.93Å; L730-H734 PolarHBondContact O-N 3.38Å |
| 731 | R | 80.1 | Confident | 81.9 | Confident | 159 Ų | 159 | 63.8 Ų | 63.8 | 60% | 0.6 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59 | -44.9 | 175 | -73.5 | 174.4 | -169.4 | 176.9 | 7.2 | 111.4 | I23 D727 E728 H734 A735 | I23-R731 HydrophobicContact CG2-CB 4.29Å; D727-R731 WeakPolarHBondContact O-CB 3.4Å; D727-R731 VanDerWaalsContact O-CG 3.26Å; D727-R731 WeakPolarHBondContact O-CG 3.31Å; D727-R731 PolarHBondContact O-N 2.93Å; E728-R731 PolarHBondContact O-N 2.81Å; R731-H734 PolarHBondContact O-N 3.2Å; R731-A735 WeakPolarHBondContact O-CB 3.43Å; R731-A735 PolarHBondContact O-N 3.37Å |
| 732 | M | 81.1 | Confident | 81.6 | Confident | 13 Ų | 13 | 57 Ų | 57 | 6% | 0.064 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 176.4 | -179.9 | 55.2 | 60.1 | 0 | 0 | 111.9 | I23 Q25 I307 E728 M729 L730 H734 A735 L736 | I23-M732 HydrophobicContact CG2-CE 4.23Å; Q25-M732 HydrophobicContact CB-CE 4.21Å; Q25-M732 HydrophobicContact CG-CE 3.82Å; Q25-M732 VanDerWaalsContact NE2-CE 3.28Å; I307-M732 HydrophobicContact CD1-CG 3.48Å; I307-M732 VanDerWaalsContact CD1-CG 3.48Å; E728-M732 WeakPolarHBondContact O-CB 3.42Å; E728-M732 PolarHBondContact O-N 3.41Å; M729-M732 PolarHBondContact O-N 3.29Å; L730-M732 VanDerWaalsContact C-N 3.32Å; L730-M732 PolarHBondContact O-N 3.4Å; M732-H734 PolarHBondContact O-N 2.88Å; M732-A735 PolarHBondContact O-N 3.07Å; M732-L736 HydrophobicContact CG-CD1 3.82Å; M732-L736 HydrophobicContact CG-CG 4.2Å; M732-L736 WeakPolarHBondContact O-CB 3.49Å; M732-L736 WeakPolarHBondContact O-CG 3.42Å; M732-L736 PolarHBondContact O-N 2.89Å; M732-L736 HydrophobicContact SD-CD1 3.89Å; M732-L736 HydrophobicContact SD-CD2 4.18Å; M732-L736 HydrophobicContact SD-CG 3.72Å |
| 733 | Y | 85.4 | Confident | 81.3 | Confident | 9 Ų | 9 | 55 Ų | 55 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.2 | -47.2 | 178.6 | 177 | -98.4 | 0 | 0 | 0 | 112.1 | L304 I307 E308 V311 K315 M729 L730 A735 L736 R737 | L304-Y733 HydrophobicContact CD1-CD2 3.52Å; L304-Y733 HydrophobicContact CD1-CE2 3.61Å; L304-Y733 HydrophobicContact CD1-CG 4.43Å; I307-Y733 HydrophobicContact CG2-CD2 4.47Å; E308-Y733 HydrophobicContact CB-CE2 4.27Å; E308-Y733 HydrophobicContact CG-CE2 4.2Å; E308-Y733 PolarHBondContact OE1-OH 2.98Å; E308-Y733 VanDerWaalsContact OE1-OH 3.12Å; V311-Y733 HydrophobicContact CB-CD2 4.22Å; V311-Y733 HydrophobicContact CB-CG 4.39Å; V311-Y733 HydrophobicContact CG1-CD1 4.04Å; V311-Y733 HydrophobicContact CG1-CD2 4.01Å; V311-Y733 HydrophobicContact CG1-CE1 4.4Å; V311-Y733 HydrophobicContact CG1-CE2 4.38Å; V311-Y733 HydrophobicContact CG1-CG 3.83Å; V311-Y733 HydrophobicContact CG2-CD2 4.4Å; V311-Y733 HydrophobicContact CG2-CG 4.35Å; K315-Y733 WeakPolarHBondContact CE-OH 3.33Å; K315-Y733 PolarHBondContact NZ-OH 3.16Å; M729-Y733 WeakPolarHBondContact O-CB 3.49Å; M729-Y733 PolarHBondContact O-N 3.4Å; L730-Y733 PolarHBondContact O-N 2.92Å; Y733-A735 VanDerWaalsContact C-N 3.34Å; Y733-A735 PolarHBondContact O-N 3.01Å; Y733-L736 PolarHBondContact O-N 3.48Å; Y733-R737 VanDerWaalsContact CE1-CD 3.44Å; Y733-R737 HydrophobicContact CE1-CG 4.37Å; Y733-R737 VanDerWaalsContact CZ-CD 3.44Å; Y733-R737 WeakPolarHBondContact O-CG 3.32Å; Y733-R737 PolarHBondContact O-N 3.49Å; Y733-R737 VanDerWaalsContact O-N 3.09Å; Y733-R737 WeakPolarHBondContact OH-CD 3.48Å; Y733-R737 PolarHBondContact OH-NH1 2.95Å; Y733-R737 VanDerWaalsContact OH-NH1 3.13Å |
| 734 | H | 83.1 | Confident | 80.9 | Confident | 124 Ų | 124 | 55 Ų | 55 | 57% | 0.574 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.8 | -43.2 | 178 | -75.3 | -61.1 | 0 | 0 | 0 | 112.1 | L730 R731 M732 R737 E738 | L730-H734 PolarHBondContact O-CD2 2.93Å; L730-H734 PolarHBondContact O-N 3.38Å; R731-H734 PolarHBondContact O-N 3.2Å; M732-H734 PolarHBondContact O-N 2.88Å; H734-R737 PolarHBondContact O-N 3.22Å; H734-E738 PolarHBondContact O-N 3.35Å |
| 735 | A | 78.6 | Confident | 80.1 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 5% | 0.05 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I23 R731 M732 Y733 R737 E738 A739 | I23-A735 HydrophobicContact CD1-CB 2.98Å; I23-A735 HydrophobicContact CG1-CB 3.82Å; R731-A735 WeakPolarHBondContact O-CB 3.43Å; R731-A735 PolarHBondContact O-N 3.37Å; M732-A735 PolarHBondContact O-N 3.07Å; Y733-A735 VanDerWaalsContact C-N 3.34Å; Y733-A735 PolarHBondContact O-N 3.01Å; A735-R737 VanDerWaalsContact C-N 3.26Å; A735-R737 PolarHBondContact O-N 3.27Å; A735-E738 PolarHBondContact O-N 3.48Å; A735-A739 VanDerWaalsContact O-CB 3.32Å; A735-A739 WeakPolarHBondContact O-CB 3.23Å; A735-A739 PolarHBondContact O-N 3.22Å |
| 736 | L | 83.2 | Confident | 79.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 176.3 | -72.5 | 173.9 | 0 | 0 | 0 | 110.9 | F20 L300 Q303 L304 I307 M732 Y733 L740 | F20-L736 HydrophobicContact CE1-CD2 4.11Å; F20-L736 HydrophobicContact CZ-CD2 4.38Å; L300-L736 HydrophobicContact CD2-CD2 3.59Å; Q303-L736 HydrophobicContact CB-CD1 4.2Å; Q303-L736 HydrophobicContact CB-CD2 4.45Å; L304-L736 HydrophobicContact CB-CB 4.35Å; L304-L736 HydrophobicContact CB-CD1 4.4Å; L304-L736 HydrophobicContact CD1-CB 3.98Å; I307-L736 HydrophobicContact CD1-CD1 3.63Å; M732-L736 HydrophobicContact CG-CD1 3.82Å; M732-L736 HydrophobicContact CG-CG 4.2Å; M732-L736 WeakPolarHBondContact O-CB 3.49Å; M732-L736 WeakPolarHBondContact O-CG 3.42Å; M732-L736 PolarHBondContact O-N 2.89Å; M732-L736 HydrophobicContact SD-CD1 3.89Å; M732-L736 HydrophobicContact SD-CD2 4.18Å; M732-L736 HydrophobicContact SD-CG 3.72Å; Y733-L736 PolarHBondContact O-N 3.48Å; L736-L740 WeakPolarHBondContact O-CB 3.37Å; L736-L740 WeakPolarHBondContact O-CG 3.45Å; L736-L740 PolarHBondContact O-N 3.27Å |
| 737 | R | 85.8 | Confident | 78 | Confident | 139 Ų | 139 | 54.7 Ų | 54.7 | 53% | 0.525 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 174.7 | -75.8 | -169.1 | 65.4 | 163.9 | -0 | 112.6 | L304 Y733 H734 A735 L740 S741 | L304-R737 HydrophobicContact CD1-CG 3.93Å; L304-R737 HydrophobicContact CD2-CG 4.04Å; Y733-R737 VanDerWaalsContact CE1-CD 3.44Å; Y733-R737 HydrophobicContact CE1-CG 4.37Å; Y733-R737 VanDerWaalsContact CZ-CD 3.44Å; Y733-R737 WeakPolarHBondContact O-CG 3.32Å; Y733-R737 PolarHBondContact O-N 3.49Å; Y733-R737 VanDerWaalsContact O-N 3.09Å; Y733-R737 WeakPolarHBondContact OH-CD 3.48Å; Y733-R737 PolarHBondContact OH-NH1 2.95Å; Y733-R737 VanDerWaalsContact OH-NH1 3.13Å; H734-R737 PolarHBondContact O-N 3.22Å; A735-R737 VanDerWaalsContact C-N 3.26Å; A735-R737 PolarHBondContact O-N 3.27Å; R737-L740 PolarHBondContact O-N 2.97Å; R737-S741 PolarHBondContact O-N 3Å |
| 738 | E | 82.3 | Confident | 76.6 | Confident | 113 Ų | 113 | 57 Ų | 57 | 53% | 0.528 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 176 | -174.3 | 175.4 | -169.4 | 0 | 0 | 110.9 | H734 A735 L740 S741 I742 | H734-E738 PolarHBondContact O-N 3.35Å; A735-E738 PolarHBondContact O-N 3.48Å; E738-L740 PolarHBondContact O-N 3.33Å; E738-S741 WeakPolarHBondContact O-CB 3.47Å; E738-S741 PolarHBondContact O-N 3.04Å; E738-I742 HydrophobicContact CG-CD1 4.05Å; E738-I742 VanDerWaalsContact O-CG1 3.29Å; E738-I742 WeakPolarHBondContact O-CG1 3.5Å; E738-I742 PolarHBondContact O-N 3.11Å |
| 739 | A | 78.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | M16 F20 L300 A735 I742 I743 | M16-A739 HydrophobicContact CE-CB 4.19Å; F20-A739 HydrophobicContact CE1-CB 4.41Å; F20-A739 HydrophobicContact CE2-CB 3.43Å; F20-A739 VanDerWaalsContact CE2-CB 3.43Å; F20-A739 HydrophobicContact CZ-CB 3.31Å; L300-A739 HydrophobicContact CD1-CB 4.1Å; A735-A739 VanDerWaalsContact O-CB 3.32Å; A735-A739 WeakPolarHBondContact O-CB 3.23Å; A735-A739 PolarHBondContact O-N 3.22Å; A739-I742 WeakPolarHBondContact O-CB 3.4Å; A739-I742 PolarHBondContact O-N 3.49Å; A739-I743 WeakPolarHBondContact O-CG1 3.09Å; A739-I743 PolarHBondContact O-N 3.26Å |
| 740 | L | 83.6 | Confident | 73.7 | Confident | 26 Ų | 26 | 57.2 Ų | 57.2 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.9 | -35.2 | 176 | -76.5 | 169.8 | 0 | 0 | 0 | 112.8 | R297 L300 Q301 L304 L736 R737 E738 I743 G744 | R297-L740 HydrophobicContact CG-CD2 4.05Å; L300-L740 HydrophobicContact CB-CD2 3.77Å; L300-L740 HydrophobicContact CB-CG 4.08Å; Q301-L740 HydrophobicContact CG-CD1 4.09Å; Q301-L740 HydrophobicContact CG-CD2 3.67Å; L304-L740 HydrophobicContact CB-CD1 4.17Å; L304-L740 HydrophobicContact CD2-CD1 3.55Å; L304-L740 HydrophobicContact CG-CD1 4.48Å; L736-L740 WeakPolarHBondContact O-CB 3.37Å; L736-L740 WeakPolarHBondContact O-CG 3.45Å; L736-L740 PolarHBondContact O-N 3.27Å; R737-L740 PolarHBondContact O-N 2.97Å; E738-L740 PolarHBondContact O-N 3.33Å; L740-I743 PolarHBondContact O-N 2.81Å; L740-G744 PolarHBondContact O-N 2.98Å |
| 741 | S | 82.1 | Confident | 72.1 | Confident | 75 Ų | 75 | 61 Ų | 61 | 52% | 0.524 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 171.7 | -168.4 | 0 | 0 | 0 | 0 | 110.5 | R737 E738 I743 G744 D745 | R737-S741 PolarHBondContact O-N 3Å; E738-S741 WeakPolarHBondContact O-CB 3.47Å; E738-S741 PolarHBondContact O-N 3.04Å; S741-I743 VanDerWaalsContact C-N 3.32Å; S741-I743 PolarHBondContact O-N 3.39Å; S741-G744 PolarHBondContact O-N 3.36Å; S741-G744 VanDerWaalsContact O-N 3.1Å; S741-D745 PolarHBondContact O-N 3.4Å |
| 742 | I | 75.3 | Confident | 70.5 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.3 | -43.9 | 177.2 | -72.9 | 167.6 | 0 | 0 | 0 | 111.3 | L12 M16 E738 A739 | L12-I742 HydrophobicContact CD1-CG2 3.55Å; L12-I742 HydrophobicContact CD2-CG2 4.15Å; L12-I742 HydrophobicContact CG-CG2 3.54Å; M16-I742 HydrophobicContact CG-CB 4.27Å; M16-I742 HydrophobicContact CG-CD1 4.38Å; M16-I742 HydrophobicContact CG-CG2 3.48Å; M16-I742 VanDerWaalsContact CG-CG2 3.48Å; M16-I742 HydrophobicContact SD-CG2 3.97Å; E738-I742 HydrophobicContact CG-CD1 4.05Å; E738-I742 VanDerWaalsContact O-CG1 3.29Å; E738-I742 WeakPolarHBondContact O-CG1 3.5Å; E738-I742 PolarHBondContact O-N 3.11Å; A739-I742 WeakPolarHBondContact O-CB 3.4Å; A739-I742 PolarHBondContact O-N 3.49Å |
| 743 | I | 75.3 | Confident | 69.3 | Low | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.8 | -36.7 | 176.6 | -66.5 | 172.6 | 0 | 0 | 0 | 112.1 | M16 L293 L296 R297 L300 A739 L740 S741 D745 I746 | M16-I743 HydrophobicContact CE-CD1 3.64Å; M16-I743 HydrophobicContact CE-CG1 3.71Å; M16-I743 HydrophobicContact SD-CD1 4.37Å; M16-I743 HydrophobicContact SD-CG1 3.8Å; L293-I743 HydrophobicContact CD2-CG1 4.13Å; L293-I743 HydrophobicContact CD2-CG2 4.43Å; L296-I743 HydrophobicContact CD2-CD1 4.45Å; L296-I743 HydrophobicContact CG-CD1 4.36Å; R297-I743 HydrophobicContact CB-CD1 4.31Å; R297-I743 HydrophobicContact CB-CG2 4.03Å; R297-I743 HydrophobicContact CG-CG2 4.1Å; L300-I743 HydrophobicContact CD1-CD1 3.6Å; A739-I743 WeakPolarHBondContact O-CG1 3.09Å; A739-I743 PolarHBondContact O-N 3.26Å; L740-I743 PolarHBondContact O-N 2.81Å; S741-I743 VanDerWaalsContact C-N 3.32Å; S741-I743 PolarHBondContact O-N 3.39Å; I743-D745 PolarHBondContact O-N 2.81Å; I743-I746 WeakPolarHBondContact O-CB 3.01Å; I743-I746 PolarHBondContact O-N 3.44Å |
| 744 | G | 71.6 | Confident | 67.5 | Low | 28 Ų | 28 | 65.7 Ų | 65.7 | 29% | 0.289 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -55.5 | -38 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | L740 S741 I746 | L740-G744 PolarHBondContact O-N 2.98Å; S741-G744 PolarHBondContact O-N 3.36Å; S741-G744 VanDerWaalsContact O-N 3.1Å; G744-I746 VanDerWaalsContact C-N 3.25Å; G744-I746 PolarHBondContact O-N 3.14Å |
| 745 | D | 66.8 | Low | 66 | Low | 109 Ų | 109 | 63.7 Ų | 63.7 | 58% | 0.583 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -68.5 | -22.1 | 179.4 | -64 | -21.6 | 0 | 0 | 0 | 113 | S741 I743 T748 | S741-D745 PolarHBondContact O-N 3.4Å; I743-D745 PolarHBondContact O-N 2.81Å; D745-T748 PolarHBondContact O-OG1 2.98Å |
| 746 | I | 61.3 | Low | 64.8 | Low | 10 Ų | 10 | 67 Ų | 67 | 5% | 0.051 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -76.6 | -40.7 | -174.1 | -57.4 | 173.8 | 0 | 0 | 0 | 113.7 | L9 L12 L293 I743 G744 T748 T749 | L9-I746 HydrophobicContact CD2-CB 4.5Å; L9-I746 HydrophobicContact CD2-CG1 4.44Å; L9-I746 HydrophobicContact CD2-CG2 3.35Å; L12-I746 HydrophobicContact CD2-CB 4.48Å; L12-I746 HydrophobicContact CD2-CD1 3.28Å; L12-I746 HydrophobicContact CD2-CG1 3.06Å; L12-I746 HydrophobicContact CG-CD1 4.33Å; L12-I746 HydrophobicContact CG-CG1 4.43Å; L293-I746 HydrophobicContact CD1-CB 4.35Å; L293-I746 HydrophobicContact CD1-CD1 3.64Å; L293-I746 HydrophobicContact CD1-CG2 3.57Å; L293-I746 HydrophobicContact CD2-CD1 3.76Å; L293-I746 HydrophobicContact CG-CD1 4.38Å; I743-I746 WeakPolarHBondContact O-CB 3.01Å; I743-I746 PolarHBondContact O-N 3.44Å; G744-I746 VanDerWaalsContact C-N 3.25Å; G744-I746 PolarHBondContact O-N 3.14Å; I746-T748 PolarHBondContact O-N 3.04Å; I746-T749 PolarHBondContact O-OG1 3.19Å |
| 747 | S | 56.2 | Low | 63.2 | Low | 89 Ų | 89 | 72 Ų | 72 | 62% | 0.622 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -5.6 | -168.6 | -62 | 0 | 0 | 0 | 0 | 113.9 | ||
| 748 | T | 52.4 | Low | 61.8 | Low | 117 Ų | 117 | 70.3 Ų | 70.3 | 72% | 0.718 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -8 | -173.5 | 61 | 0 | 0 | 0 | 0 | 114.9 | D745 I746 | D745-T748 PolarHBondContact O-OG1 2.98Å; I746-T748 PolarHBondContact O-N 3.04Å |
| 749 | T | 48.9 | Very low | 60.9 | Low | 92 Ų | 92 | 67.8 Ų | 67.8 | 56% | 0.564 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -127.1 | 8.8 | -161.9 | 33.7 | 0 | 0 | 0 | 0 | 118 | I746 | I746-T749 PolarHBondContact O-OG1 3.19Š|
| 750 | T | 53.1 | Low | 59.5 | Low | 30 Ų | 30 | 73.1 Ų | 73.1 | 18% | 0.184 | 46% | 0.458 | C | S | . | . | trans | -128.4 | 137.6 | -169.7 | 62 | 0 | 0 | 0 | 0 | 117.6 | L9 R290 | L9-T750 HydrophobicContact CD1-CG2 4.22Å; R290-T750 PolarHBondContact NH1-O 2.85Å; R290-T750 VanDerWaalsContact NH1-O 3.17Å; R290-T750 PolarHBondContact NH2-O 3.17Å | ||
| 751 | V | 49.5 | Very low | 58 | Low | 120 Ų | 120 | 76.9 Ų | 76.9 | 73% | 0.727 | 48% | 0.478 | S | S | * | . | trans | -107 | 142.3 | 174.3 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | R290 | R290-V751 PolarHBondContact NH1-O 3.26Š| ||
| 752 | S | 47.2 | Very low | 56.4 | Low | 83 Ų | 83 | 76.5 Ų | 76.5 | 58% | 0.58 | 48% | 0.475 | S | S | * | . | trans | -100.6 | 160.4 | -170.7 | 63 | 0 | 0 | 0 | 0 | 114.1 | R290 | R290-S752 VanDerWaalsContact NH1-N 3.14Š| ||
| 753 | T | 54.3 | Low | 55.1 | Low | 85 Ų | 85 | 80 Ų | 80 | 52% | 0.521 | 49% | 0.487 | S | S | . | . | trans | -121.8 | 137.3 | 164.9 | -38 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 754 | S | 47.8 | Very low | 53.7 | Low | 113 Ų | 113 | 85.4 Ų | 85.4 | 79% | 0.79 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 143.6 | -176.5 | 49 | 0 | 0 | 0 | 0 | 112.9 | ||
| 755 | M | 52.3 | Low | 52.4 | Low | 81 Ų | 81 | 92 Ų | 92 | 40% | 0.399 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 148 | 171.6 | -77.6 | -160.9 | -78.8 | 0 | 0 | 111.5 | ||
| 756 | P | 53.4 | Low | 51.1 | Low | 76 Ų | 76 | 92.6 Ų | 92.6 | 49% | 0.494 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 155.5 | 170.5 | -19.1 | 30.6 | 0 | 0 | 0 | 112.5 | R228 | R228-P756 PolarHBondContact NE-O 3.42Å; R228-P756 PolarHBondContact NH2-O 2.91Å |
| 757 | P | 49.5 | Very low | 50 | Low | 104 Ų | 104 | 101.3 Ų | 101.3 | 68% | 0.675 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -63 | 161.6 | 178.3 | 25.9 | -33.4 | 0 | 0 | 0 | 113 | ||
| 758 | P | 55.9 | Low | 49.2 | Very low | 104 Ų | 104 | 108.5 Ų | 108.5 | 68% | 0.675 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 146.5 | 176.3 | -19.4 | 31.4 | 0 | 0 | 0 | 112.1 | ||
| 759 | V | 63.2 | Low | 48.3 | Very low | 61 Ų | 61 | 108.9 Ų | 108.9 | 37% | 0.37 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -89.8 | 143.8 | -179.6 | -155.2 | 0 | 0 | 0 | 0 | 110.4 | P226 R228 | P226-V759 HydrophobicContact CB-CB 3.97Å; P226-V759 HydrophobicContact CB-CG1 3.28Å; P226-V759 HydrophobicContact CG-CG1 4.19Å; R228-V759 HydrophobicContact CB-CG2 4.35Å |
| 760 | D | 50.3 | Low | 47.5 | Very low | 112 Ų | 112 | 108 Ų | 108 | 60% | 0.599 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -78 | 130.7 | -177.3 | -177.9 | 20.5 | 0 | 0 | 0 | 112 | S762 | D760-S762 VanDerWaalsContact C-N 3.33Å; D760-S762 PolarHBondContact OD1-N 3.26Å; D760-S762 VanDerWaalsContact OD2-CB 3.3Å; D760-S762 WeakPolarHBondContact OD2-CB 3.27Å; D760-S762 PolarHBondContact OD2-OG 2.74Å |
| 761 | D | 51 | Low | 46.6 | Very low | 104 Ų | 104 | 112.4 Ų | 112.4 | 56% | 0.556 | 65% | 0.649 | S | S | * | * | trans | -90.5 | 10.2 | -176.9 | -79.2 | -36.8 | 0 | 0 | 0 | 113.4 | W763 L764 | D761-W763 PolarHBondContact O-N 3.36Å; D761-L764 HydrophobicContact CB-CD1 4.12Å; D761-L764 WeakPolarHBondContact O-CB 3.3Å; D761-L764 PolarHBondContact O-N 3.32Å; D761-L764 VanDerWaalsContact O-N 3.07Å | ||
| 762 | S | 48 | Very low | 46 | Very low | 68 Ų | 68 | 110.8 Ų | 110.8 | 48% | 0.476 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -57 | -19.3 | -174.8 | 52.1 | 0 | 0 | 0 | 0 | 115.6 | D760 L764 Q765 | D760-S762 VanDerWaalsContact C-N 3.33Å; D760-S762 PolarHBondContact OD1-N 3.26Å; D760-S762 VanDerWaalsContact OD2-CB 3.3Å; D760-S762 WeakPolarHBondContact OD2-CB 3.27Å; D760-S762 PolarHBondContact OD2-OG 2.74Å; S762-L764 VanDerWaalsContact C-N 3.28Å; S762-L764 PolarHBondContact O-N 3.19Å; S762-Q765 PolarHBondContact O-N 3.21Å |
| 763 | W | 48.9 | Very low | 45.2 | Very low | 91 Ų | 91 | 110.5 Ų | 110.5 | 35% | 0.345 | 67% | 0.667 | S | S | . | * | G | 310 helix | trans | -69.5 | -18.8 | 175.7 | 70 | -84 | 0 | 0 | 0 | 114.1 | L225 D761 Q765 V766 | L225-W763 HydrophobicContact CD1-CH2 3.56Å; L225-W763 HydrophobicContact CD1-CZ2 3.45Å; L225-W763 VanDerWaalsContact CD1-CZ2 3.45Å; D761-W763 PolarHBondContact O-N 3.36Å; W763-Q765 PolarHBondContact O-N 2.66Å; W763-Q765 VanDerWaalsContact O-N 3.16Å; W763-V766 PolarHBondContact O-N 2.65Å |
| 764 | L | 46.9 | Very low | 44.2 | Very low | 117 Ų | 117 | 118 Ų | 118 | 61% | 0.613 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -62.6 | -17.7 | 176 | -78.4 | 166.2 | 0 | 0 | 0 | 113.7 | D761 S762 | D761-L764 HydrophobicContact CB-CD1 4.12Å; D761-L764 WeakPolarHBondContact O-CB 3.3Å; D761-L764 PolarHBondContact O-N 3.32Å; D761-L764 VanDerWaalsContact O-N 3.07Å; S762-L764 VanDerWaalsContact C-N 3.28Å; S762-L764 PolarHBondContact O-N 3.19Å |
| 765 | Q | 43.1 | Very low | 43.6 | Very low | 166 Ų | 166 | 118.6 Ų | 118.6 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -87 | -10.7 | -177.6 | -72.3 | -174.7 | -8.8 | 0 | 0 | 114.5 | S762 W763 Q767 | S762-Q765 PolarHBondContact O-N 3.21Å; W763-Q765 PolarHBondContact O-N 2.66Å; W763-Q765 VanDerWaalsContact O-N 3.16Å; Q765-Q767 VanDerWaalsContact C-N 3.32Å; Q765-Q767 PolarHBondContact O-N 3.03Å |
| 766 | V | 40 | Very low | 42.8 | Very low | 122 Ų | 122 | 120 Ų | 120 | 74% | 0.739 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -6.7 | -166.3 | -179.2 | 0 | 0 | 0 | 0 | 114.2 | W763 | W763-V766 PolarHBondContact O-N 2.65Š|
| 767 | Q | 38.8 | Very low | 42 | Very low | 193 Ų | 193 | 121.2 Ų | 121.2 | 90% | 0.902 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 16.6 | 178.7 | -114.8 | 177.3 | -3.5 | 0 | 0 | 115.8 | Q765 | Q765-Q767 VanDerWaalsContact C-N 3.32Å; Q765-Q767 PolarHBondContact O-N 3.03Å |
| 768 | R | 37.6 | Very low | 41 | Very low | 239 Ų | 239 | 122.9 Ų | 122.9 | 90% | 0.902 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -131.6 | 66 | 171.1 | -75.4 | -173.6 | 170.6 | -176.9 | -1.2 | 112.4 | ||
| 769 | S | 35.3 | Very low | 39.6 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | trans | -153 | 109 | 161.3 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 770 | G | 32 | Very low | 38.8 | Very low | 75 Ų | 75 | 125.6 Ų | 125.6 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | -179.7 | 47.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 771 | S | 33.1 | Very low | 38.2 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | 171.4 | 112.7 | 139.6 | 56.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 772 | G | 38.1 | Very low | 37.6 | Very low | 87 Ų | 87 | 127.6 Ų | 127.6 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | -68.3 | 152.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 773 | G | 29.7 | Very low | 37.3 | Very low | 76 Ų | 76 | 131.9 Ų | 131.9 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | -179.9 | 93.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 774 | R | 34.2 | Very low | 36.4 | Very low | 242 Ų | 242 | 137.8 Ų | 137.8 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | trans | 9.7 | 120.8 | 162.2 | -71.5 | 174.2 | 169.4 | 174.7 | -4 | 117.7 | P776 | R774-P776 WeakPolarHBondContact O-CD 3.17Š| ||
| 775 | S | 34.6 | Very low | 35.6 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 88% | 0.881 | 82% | 0.821 | S | S | * | * | trans | -58.5 | 139.4 | 159.1 | -44.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 776 | P | 35.3 | Very low | 34.8 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 72% | 0.721 | 82% | 0.823 | S | S | * | * | trans | -126.8 | 142.6 | 133.5 | 22.3 | -4.6 | 0 | 0 | 0 | 111.2 | R774 T778 | R774-P776 WeakPolarHBondContact O-CD 3.17Å; P776-T778 PolarHBondContact O-N 3.17Å | ||
| 777 | A | 36.5 | Very low | 35 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -48.4 | 134.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 778 | T | 28.1 | Very low | 35.4 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -103.9 | 102.1 | 174.9 | 49.8 | 0 | 0 | 0 | 0 | 110.5 | P776 | P776-T778 PolarHBondContact O-N 3.17Š| ||
| 779 | S | 27 | Very low | 35.1 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -91.8 | 176.1 | 147.4 | -37.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 780 | P | 45.6 | Very low | 35.4 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | -97.9 | 162 | -117.8 | 28.5 | -9.9 | 0 | 0 | 0 | 114.7 | |||||
| 781 | T | 38.5 | Very low | 36.4 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | 28.8 | 137.2 | 154 | 56.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 782 | P | 37.6 | Very low | 36.2 | Very low | 131 Ų | 131 | 128 Ų | 128 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | -163.3 | 179.5 | 70.2 | 40.3 | -16.4 | 0 | 0 | 0 | 118 | |||||
| 783 | N | 42.9 | Very low | 35.8 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -76.4 | 152.4 | -179.1 | -145.2 | 0.9 | 0 | 0 | 0 | 114.7 | ||||
| 784 | R | 30.4 | Very low | 36.6 | Very low | 216 Ų | 216 | 137.2 Ų | 137.2 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | trans | 158.6 | 144.6 | 149.1 | -98.3 | -178.4 | 180 | -167 | 2.3 | 110.3 | ||||
| 785 | R | 29.2 | Very low | 36.4 | Very low | 200 Ų | 200 | 129.2 Ų | 129.2 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | cis | -178.1 | 146.5 | 2.3 | -168.5 | 178.8 | -162.4 | -171.2 | 3.1 | 105.7 | ||||
| 786 | A | 26.7 | Very low | 36.3 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -142.5 | 133.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 787 | P | 43.7 | Very low | 36.3 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | trans | -124.9 | -175.9 | 163.2 | 41.2 | -28.3 | 0 | 0 | 0 | 110.5 | ||||
| 788 | P | 48.1 | Very low | 36 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | cis | -133.4 | 172.1 | -20.1 | 24 | -0.9 | 0 | 0 | 0 | 114.1 | ||||
| 789 | G | 30 | Very low | 36.6 | Very low | 72 Ų | 72 | 133.5 Ų | 133.5 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | 145.3 | 144.4 | 145 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 790 | P | 42 | Very low | 37.2 | Very low | 123 Ų | 123 | 134 Ų | 134 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -123.6 | -157.8 | -147.3 | 44.6 | -27.9 | 0 | 0 | 0 | 112.8 | ||||
| 791 | P | 53.6 | Low | 36.9 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | cis | -130.5 | 162.5 | -21 | 33.7 | -15.3 | 0 | 0 | 0 | 114.9 | ||||
| 792 | A | 27.7 | Very low | 37 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -175 | 146.6 | 135 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 793 | R | 31.2 | Very low | 37.3 | Very low | 239 Ų | 239 | 131.8 Ų | 131.8 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -130.4 | 178.4 | -173.6 | -113.5 | -164.9 | 172.3 | -167.6 | -0.1 | 107.4 | ||||
| 794 | P | 46.2 | Very low | 37.3 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | cis | -141.6 | 175.8 | -47.6 | 37.4 | -18.5 | 0 | 0 | 0 | 114.8 | ||||
| 795 | G | 30.2 | Very low | 37.9 | Very low | 74 Ų | 74 | 126 Ų | 126 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 119.4 | 144.4 | 151 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 796 | S | 32.2 | Very low | 38.3 | Very low | 113 Ų | 113 | 121.5 Ų | 121.5 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | cis | -170 | 139.9 | -6.8 | 57 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 797 | R | 34.2 | Very low | 38.6 | Very low | 256 Ų | 256 | 121 Ų | 121 | 97% | 0.966 | 81% | 0.81 | S | S | * | * | trans | 56.6 | 125.7 | 147.7 | -78.7 | -179.1 | 169.6 | 165.6 | -3.3 | 123.4 | ||||
| 798 | G | 31.1 | Very low | 38.1 | Very low | 72 Ų | 72 | 119.6 Ų | 119.6 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -152.9 | 151.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 799 | P | 39.8 | Very low | 37.6 | Very low | 128 Ų | 128 | 119.3 Ų | 119.3 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 169.5 | -164.5 | 36.2 | -25.3 | 0 | 0 | 0 | 115.2 | ||
| 800 | P | 40.3 | Very low | 38 | Very low | 119 Ų | 119 | 122 Ų | 122 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 164.2 | -170.1 | 36.6 | -33.8 | 0 | 0 | 0 | 114.8 | ||
| 801 | P | 40.3 | Very low | 37.7 | Very low | 129 Ų | 129 | 122.8 Ų | 122.8 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 150.1 | 177.7 | 30.6 | -22.9 | 0 | 0 | 0 | 113.4 | ||
| 802 | G | 38.9 | Very low | 37.1 | Very low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | trans | -91.1 | -174.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 803 | P | 44.9 | Very low | 37.7 | Very low | 124 Ų | 124 | 124 Ų | 124 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -96 | 168.9 | -160.2 | 38.1 | -34.5 | 0 | 0 | 0 | 115 | ||
| 804 | P | 43.1 | Very low | 37.7 | Very low | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 156.6 | -175.4 | 33.7 | -33.7 | 0 | 0 | 0 | 113.6 | ||
| 805 | P | 42.7 | Very low | 37.2 | Very low | 135 Ų | 135 | 124 Ų | 124 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 156.3 | -176.5 | 35 | -32.7 | 0 | 0 | 0 | 113.6 | ||
| 806 | A | 36.5 | Very low | 37.3 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 141 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 807 | G | 33.2 | Very low | 37.3 | Very low | 88 Ų | 88 | 123.7 Ų | 123.7 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | 72.4 | 110.2 | 127.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 808 | G | 33.5 | Very low | 37.3 | Very low | 74 Ų | 74 | 117.1 Ų | 117.1 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | trans | -141.6 | 151.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 809 | P | 37.2 | Very low | 37.8 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | trans | -87.8 | 162.5 | -157.2 | 34.6 | -35.8 | 0 | 0 | 0 | 115.9 | ||||
| 810 | P | 38.7 | Very low | 37.6 | Very low | 128 Ų | 128 | 121.2 Ų | 121.2 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | trans | -93.4 | 149.8 | -170.5 | 36.1 | -32.1 | 0 | 0 | 0 | 114.2 | ||||
| 811 | V | 35.6 | Very low | 37.9 | Very low | 139 Ų | 139 | 120.1 Ų | 120.1 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | trans | -110.5 | 140.1 | 170.5 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 812 | P | 40.8 | Very low | 38.1 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | trans | -95.2 | 143.2 | -156.1 | 31.6 | -24.5 | 0 | 0 | 0 | 115.1 | ||||
| 813 | S | 41.3 | Very low | 37.9 | Very low | 128 Ų | 128 | 124 Ų | 124 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | trans | -67.7 | 135.6 | 166.8 | -44.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 814 | R | 31 | Very low | 37.8 | Very low | 241 Ų | 241 | 121.4 Ų | 121.4 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -114.8 | 142.9 | 174.7 | -162.2 | 165.8 | -170.1 | -163.1 | 2.4 | 111.3 | ||||
| 815 | P | 34.9 | Very low | 38 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 75% | 0.747 | 83% | 0.825 | S | S | * | * | trans | -94.4 | 169.1 | -159 | 37 | -32.9 | 0 | 0 | 0 | 114 | ||||
| 816 | G | 33.4 | Very low | 37.7 | Very low | 79 Ų | 79 | 121.2 Ų | 121.2 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | -62.2 | 159.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 817 | A | 32 | Very low | 37.8 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -129.3 | 130.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 818 | S | 34.4 | Very low | 38.2 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -73 | 173.5 | 166.9 | -75.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 819 | P | 41.8 | Very low | 38.3 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -90.1 | 149.7 | -155.3 | 35.9 | -31.8 | 0 | 0 | 0 | 113.4 | ||||
| 820 | D | 34.3 | Very low | 38.3 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | trans | -117.6 | 133.8 | 172.7 | -144 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 821 | P | 47 | Very low | 38.3 | Very low | 97 Ų | 97 | 126.9 Ų | 126.9 | 63% | 0.63 | 82% | 0.817 | S | S | * | * | trans | -99.3 | 105.5 | -175.6 | 33.5 | -20.1 | 0 | 0 | 0 | 109.9 | ||||
| 822 | H | 45.5 | Very low | 38.2 | Very low | 201 Ų | 201 | 131.9 Ų | 131.9 | 93% | 0.931 | 82% | 0.821 | S | S | * | * | trans | 162.1 | 88.9 | 150.6 | -81.1 | -12.9 | 0 | 0 | 0 | 109.1 | ||||
| 823 | G | 34.4 | Very low | 38 | Very low | 80 Ų | 80 | 131.8 Ų | 131.8 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -140.3 | 99.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 824 | G | 43.5 | Very low | 37.8 | Very low | 69 Ų | 69 | 134.1 Ų | 134.1 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 164.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 825 | P | 46.1 | Very low | 38 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 141.8 | -171.2 | 32.2 | -32 | 0 | 0 | 0 | 112.5 | ||
| 826 | P | 36.8 | Very low | 38.3 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 163.9 | 167.4 | 34.3 | -29.5 | 0 | 0 | 0 | 112.1 | ||
| 827 | P | 38.7 | Very low | 38.9 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 160.6 | -146 | 37.3 | -35 | 0 | 0 | 0 | 115.2 | ||
| 828 | T | 41.5 | Very low | 39.2 | Very low | 141 Ų | 141 | 136 Ų | 136 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 138.4 | 173.8 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 829 | V | 35.2 | Very low | 39.5 | Very low | 134 Ų | 134 | 136 Ų | 136 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | trans | -135.2 | 147.6 | 173.6 | 175 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 830 | P | 37.3 | Very low | 39.6 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | trans | -101.2 | 166.9 | -139.1 | 27.1 | -17.2 | 0 | 0 | 0 | 117.9 | ||||
| 831 | S | 38.1 | Very low | 39.9 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | -56.3 | 134.6 | 175.8 | -8.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 832 | R | 34 | Very low | 39.5 | Very low | 244 Ų | 244 | 135.5 Ų | 135.5 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | -117 | 147.3 | 169.8 | -112.9 | -175.8 | 176.2 | -179.7 | 0.6 | 111.1 | ||||
| 833 | P | 37.9 | Very low | 39.3 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | trans | -85.4 | 154.8 | -169.3 | 34.1 | -33.6 | 0 | 0 | 0 | 114 | ||||
| 834 | N | 36.2 | Very low | 39.9 | Very low | 177 Ų | 177 | 145 Ų | 145 | 95% | 0.947 | 83% | 0.827 | S | S | * | * | trans | -54.4 | 128 | 176.1 | -109.4 | -10.9 | 0 | 0 | 0 | 112.8 | ||||
| 835 | R | 35 | Very low | 40.3 | Very low | 243 Ų | 243 | 147.1 Ų | 147.1 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | trans | -116.9 | 119.2 | 170.6 | -155.6 | 177.5 | -168.8 | 176.9 | 2.8 | 108.8 | ||||
| 836 | A | 42.1 | Very low | 40.8 | Very low | 87 Ų | 87 | 146.4 Ų | 146.4 | 72% | 0.719 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -71 | 152 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 837 | P | 44.6 | Very low | 41.6 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 155.6 | 177 | 29.9 | -32.5 | 0 | 0 | 0 | 112.4 | ||
| 838 | P | 39.9 | Very low | 42 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 144.9 | -173.9 | 31.3 | -34.4 | 0 | 0 | 0 | 112.9 | ||
| 839 | S | 39.8 | Very low | 42.8 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 134.9 | 179.8 | 40.7 | 0 | 0 | 0 | 0 | 113 | ||
| 840 | V | 42.8 | Very low | 43.8 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 138.3 | 171.4 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 841 | P | 41.1 | Very low | 44.1 | Very low | 119 Ų | 119 | 152.4 Ų | 152.4 | 77% | 0.773 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 134.6 | -176.7 | -13.3 | 28.3 | 0 | 0 | 0 | 113.3 | ||
| 842 | S | 38.1 | Very low | 44.4 | Very low | 119 Ų | 119 | 153.6 Ų | 153.6 | 83% | 0.832 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 121.9 | 173.2 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | ||
| 843 | R | 41.5 | Very low | 44.9 | Very low | 240 Ų | 240 | 148.8 Ų | 148.8 | 91% | 0.906 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 120.9 | 164.9 | -88.5 | -176.6 | 172.9 | -172.5 | -1.6 | 108.9 | ||
| 844 | R | 47.2 | Very low | 45.3 | Very low | 239 Ų | 239 | 150.4 Ų | 150.4 | 90% | 0.902 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 140.2 | 169.2 | -78.2 | -176.1 | 178.7 | -156.4 | -0.2 | 110.9 | ||
| 845 | P | 53.2 | Low | 45.8 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 75% | 0.747 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 154.7 | 164.5 | 31.1 | -30.8 | 0 | 0 | 0 | 111.2 | ||
| 846 | P | 57 | Low | 46.5 | Very low | 113 Ų | 113 | 143 Ų | 143 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -73 | 156.8 | 175.7 | 31.1 | -32.6 | 0 | 0 | 0 | 111.5 | ||
| 847 | P | 52.8 | Low | 46.8 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 84% | 0.838 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 136.6 | 179.3 | 29.5 | -32.2 | 0 | 0 | 0 | 111.5 | ||
| 848 | S | 47.9 | Very low | 47 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 78% | 0.776 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 144.1 | 167.8 | -54.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 849 | P | 56.3 | Low | 47.5 | Very low | 127 Ų | 127 | 150.5 Ų | 150.5 | 83% | 0.825 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 138.2 | 178.3 | 25.1 | -20 | 0 | 0 | 0 | 111.1 | ||
| 850 | T | 56.2 | Low | 48.2 | Very low | 129 Ų | 129 | 153.2 Ų | 153.2 | 79% | 0.791 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 119.5 | 168.2 | 44.3 | 0 | 0 | 0 | 0 | 111 | ||
| 851 | H | 44.1 | Very low | 48.7 | Very low | 261 Ų | 261 | 154.7 Ų | 154.7 | 100% | 1.208 | 85% | 0.848 | S | S | * | * | -168.7 | 0 | 124.6 | -109.6 | -67.5 | 0 | 0 | 0 | 111.8 |
Retrieved 851 of 851 residues in 381.7 ms
(Link to these results)