| 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 | 63 | Low | 84.8 | Confident | 109 Ų | 109 | 39 Ų | 39 | 54% | 0.537 | 20% | 0.2 | S | C | . | . | 0 | 118.4 | 0 | -173.4 | -173.8 | -100.9 | 0 | 0 | 107.2 | S3 Y269 V270 F298 L302 | M1-S3 PolarHBondContact O-N 3.29Å; M1-Y269 WeakPolarHBondContact CE-O 3.41Å; M1-V270 CarbonylContact C-O 3.53Å; M1-V270 WeakPolarHBondContact CA-O 3.49Å; M1-V270 VanDerWaalsContact CG-O 3.31Å; M1-V270 WeakPolarHBondContact CG-O 3.3Å; M1-F298 HydrophobicContact CG-CZ 3.85Å; M1-L302 HydrophobicContact CE-CD1 3.89Å; M1-L302 HydrophobicContact SD-CD1 3.36Å; M1-L302 WeakPolarHBondContact SD-CD1 3.15Å | |||
| 2 | K | 75.3 | Confident | 85.4 | Confident | 30 Ų | 30 | 35.8 Ų | 35.8 | 13% | 0.13 | 18% | 0.183 | C | C | . | . | trans | -67.1 | 123 | 179.6 | -177.8 | 179.6 | 177 | -173.7 | 0 | 108.8 | D9 V270 D271 F272 | K2-D9 WeakPolarHBondContact CE-OD2 3.17Å; K2-D9 IonicContact NZ-OD1 3.81Å; K2-D9 PolarHBondContact NZ-OD1 3.1Å; K2-D9 IonicContact NZ-OD2 2.93Å; K2-D9 PolarHBondContact NZ-OD2 2.77Å; K2-V270 PolarHBondContact N-O 3.24Å; K2-D271 HydrophobicContact CB-CB 4.47Å; K2-D271 VanDerWaalsContact CB-CG 3.44Å; K2-D271 WeakPolarHBondContact CB-OD1 3.46Å; K2-D271 WeakPolarHBondContact CD-OD1 3.29Å; K2-F272 HydrophobicContact CB-CE1 4.33Å; K2-F272 HydrophobicContact CD-CE1 4.19Å; K2-F272 HydrophobicContact CD-CE2 4.3Å; K2-F272 HydrophobicContact CD-CZ 4.07Å; K2-F272 HydrophobicContact CG-CE1 4.1Å; K2-F272 HydrophobicContact CG-CZ 4.17Å; K2-F272 PolarHBondContact NZ-O 3Å | ||
| 3 | S | 78.8 | Confident | 86 | Confident | 73 Ų | 73 | 33 Ų | 33 | 51% | 0.51 | 17% | 0.169 | S | C | . | . | trans | -115 | -3.2 | -173.7 | 58.2 | 0 | 0 | 0 | 0 | 113.1 | M1 V55 | M1-S3 PolarHBondContact O-N 3.29Å; S3-V55 WeakPolarHBondContact O-CG1 3.41Å | ||
| 4 | R | 87.9 | Confident | 86.5 | Confident | 114 Ų | 114 | 31.7 Ų | 31.7 | 43% | 0.43 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -144.9 | 149.8 | -174.8 | -61 | -176.9 | -178.1 | 179.1 | -7.4 | 110.6 | V55 D117 | R4-V55 HydrophobicContact CG-CG2 4.48Å; R4-D117 PolarHBondContact NH1-O 3.3Å; R4-D117 VanDerWaalsContact NH1-O 3.1Å; R4-D117 PolarHBondContact NH2-O 3.09Å; R4-D117 VanDerWaalsContact NH2-O 3.09Å |
| 5 | F | 91.2 | Very high | 86.8 | Confident | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | trans | -68.3 | 135.2 | 173.2 | -76.8 | 11.3 | 0 | 0 | 0 | 111.3 | D9 V10 I13 V55 R56 I57 R96 L115 F272 F291 V295 F299 | F5-D9 HydrophobicContact CB-CB 4.02Å; F5-D9 HydrophobicContact CD1-CB 4.28Å; F5-D9 HydrophobicContact CD2-CB 4.28Å; F5-D9 HydrophobicContact CG-CB 3.96Å; F5-V10 HydrophobicContact CB-CG2 4.21Å; F5-V10 HydrophobicContact CD2-CG2 4.42Å; F5-I13 HydrophobicContact CD2-CG2 4.35Å; F5-I13 HydrophobicContact CE2-CB 4.13Å; F5-I13 HydrophobicContact CE2-CG1 4.28Å; F5-I13 HydrophobicContact CE2-CG2 3.93Å; F5-V55 PolarHBondContact N-O 3.21Å; F5-R56 HydrophobicContact CD1-CB 4.02Å; F5-R56 HydrophobicContact CE1-CB 3.64Å; F5-R56 HydrophobicContact CE2-CB 4.32Å; F5-R56 HydrophobicContact CZ-CB 3.81Å; F5-I57 VanDerWaalsContact CE2-O 3.23Å; F5-I57 WeakPolarHBondContact CE2-O 3.34Å; F5-I57 VanDerWaalsContact CZ-O 3.28Å; F5-I57 WeakPolarHBondContact CZ-O 3.46Å; F5-R96 VanDerWaalsContact O-CD 3.28Å; F5-R96 WeakPolarHBondContact O-CD 3.39Å; F5-R96 PolarHBondContact O-NH1 3.26Å; F5-L115 HydrophobicContact CD2-CD1 4.04Å; F5-F272 AromaticContact CD1-CE2 3.71Å; F5-F272 HydrophobicContact CD1-CE2 3.71Å; F5-F272 AromaticContact CD1-CZ 3.72Å; F5-F272 HydrophobicContact CD1-CZ 3.72Å; F5-F272 AromaticContact CE1-CE2 3.5Å; F5-F272 HydrophobicContact CE1-CE2 3.5Å; F5-F272 VanDerWaalsContact CE1-CE2 3.5Å; F5-F272 AromaticContact CE1-CZ 3.68Å; F5-F272 HydrophobicContact CE1-CZ 3.68Å; F5-F291 HydrophobicContact CZ-CE1 4.35Å; F5-V295 HydrophobicContact CE1-CG1 4.01Å; F5-V295 HydrophobicContact CE1-CG2 4.11Å; F5-V295 HydrophobicContact CZ-CG1 3.77Å; F5-V295 HydrophobicContact CZ-CG2 3.94Å; F5-F299 HydrophobicContact CE1-CE2 4.22Å | ||
| 6 | T | 89 | Confident | 87.1 | Confident | 61 Ų | 61 | 31.2 Ų | 31.2 | 37% | 0.374 | 16% | 0.161 | S | C | . | . | trans | -87.5 | 171.5 | 164.3 | 66.8 | 0 | 0 | 0 | 0 | 109.4 | I8 D9 V10 | T6-I8 VanDerWaalsContact C-N 3.29Å; T6-I8 PolarHBondContact O-N 3.38Å; T6-D9 WeakPolarHBondContact CA-OD2 3.21Å; T6-D9 WeakPolarHBondContact CB-OD2 3.33Å; T6-D9 PolarHBondContact N-OD2 3.23Å; T6-D9 WeakPolarHBondContact O-CB 3.29Å; T6-D9 PolarHBondContact O-N 2.79Å; T6-D9 PolarHBondContact OG1-OD2 2.79Å; T6-V10 WeakPolarHBondContact O-CG2 3.44Å; T6-V10 PolarHBondContact O-N 3.21Å | ||
| 7 | N | 87.7 | Confident | 87.5 | Confident | 27 Ų | 27 | 29.4 Ų | 29.4 | 14% | 0.144 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.3 | -42.5 | 179.5 | -159.2 | 0.3 | 0 | 0 | 0 | 112.5 | D9 V10 F11 Q91 Q94 | N7-D9 VanDerWaalsContact C-N 3.29Å; N7-D9 PolarHBondContact O-N 2.94Å; N7-V10 WeakPolarHBondContact O-CB 3.27Å; N7-V10 PolarHBondContact O-N 2.96Å; N7-F11 WeakPolarHBondContact O-CD2 3.3Å; N7-F11 PolarHBondContact O-N 3.39Å; N7-F11 VanDerWaalsContact O-N 3.12Å; N7-F11 WeakPolarHBondContact OD1-CZ 2.99Å; N7-Q91 PolarHBondContact OD1-NE2 2.94Å; N7-Q94 PolarHBondContact ND2-O 3.42Å; N7-Q94 PolarHBondContact OD1-O 3.13Å |
| 8 | I | 88.3 | Confident | 87.7 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.9 | -39.5 | 178.4 | -54.4 | 164 | 0 | 0 | 0 | 111.4 | T6 V10 F11 A12 Y197 L201 L244 P274 F277 | T6-I8 VanDerWaalsContact C-N 3.29Å; T6-I8 PolarHBondContact O-N 3.38Å; I8-V10 PolarHBondContact O-N 3.21Å; I8-F11 PolarHBondContact O-N 3.49Å; I8-A12 PolarHBondContact O-N 3.5Å; I8-Y197 VanDerWaalsContact CD1-O 3.31Å; I8-Y197 WeakPolarHBondContact CD1-O 3.48Å; I8-L201 HydrophobicContact CD1-CB 3.68Å; I8-L201 HydrophobicContact CD1-CD2 4.38Å; I8-L244 HydrophobicContact CG2-CD1 3.67Å; I8-P274 HydrophobicContact CG2-CG 3.75Å; I8-F277 HydrophobicContact CD1-CZ 4.42Å |
| 9 | D | 91.5 | Very high | 87.9 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.7 | -32.1 | 177.1 | -53.2 | -46.4 | 0 | 0 | 0 | 111.5 | K2 F5 T6 N7 I13 P274 F291 | K2-D9 WeakPolarHBondContact CE-OD2 3.17Å; K2-D9 IonicContact NZ-OD1 3.81Å; K2-D9 PolarHBondContact NZ-OD1 3.1Å; K2-D9 IonicContact NZ-OD2 2.93Å; K2-D9 PolarHBondContact NZ-OD2 2.77Å; F5-D9 HydrophobicContact CB-CB 4.02Å; F5-D9 HydrophobicContact CD1-CB 4.28Å; F5-D9 HydrophobicContact CD2-CB 4.28Å; F5-D9 HydrophobicContact CG-CB 3.96Å; T6-D9 WeakPolarHBondContact CA-OD2 3.21Å; T6-D9 WeakPolarHBondContact CB-OD2 3.33Å; T6-D9 PolarHBondContact N-OD2 3.23Å; T6-D9 WeakPolarHBondContact O-CB 3.29Å; T6-D9 PolarHBondContact O-N 2.79Å; T6-D9 PolarHBondContact OG1-OD2 2.79Å; N7-D9 VanDerWaalsContact C-N 3.29Å; N7-D9 PolarHBondContact O-N 2.94Å; D9-I13 WeakPolarHBondContact O-CB 3.35Å; D9-I13 WeakPolarHBondContact O-CG2 3.31Å; D9-I13 PolarHBondContact O-N 3.07Å; D9-P274 WeakPolarHBondContact OD1-CD 3.43Å; D9-F291 HydrophobicContact CB-CE1 4Å; D9-F291 HydrophobicContact CB-CZ 3.71Å; D9-F291 WeakPolarHBondContact O-CE1 3.29Å |
| 10 | V | 91.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.2 | -41.5 | 175.7 | -179.6 | 0 | 0 | 0 | 0 | 111 | F5 T6 N7 I8 I13 V14 Q91 R96 V98 L115 | F5-V10 HydrophobicContact CB-CG2 4.21Å; F5-V10 HydrophobicContact CD2-CG2 4.42Å; T6-V10 WeakPolarHBondContact O-CG2 3.44Å; T6-V10 PolarHBondContact O-N 3.21Å; N7-V10 WeakPolarHBondContact O-CB 3.27Å; N7-V10 PolarHBondContact O-N 2.96Å; I8-V10 PolarHBondContact O-N 3.21Å; V10-I13 WeakPolarHBondContact O-CG2 3.42Å; V10-V14 HydrophobicContact CG1-CG2 4.07Å; V10-V14 VanDerWaalsContact O-CB 3.28Å; V10-V14 WeakPolarHBondContact O-CB 3.42Å; V10-V14 WeakPolarHBondContact O-CG2 3.2Å; V10-V14 PolarHBondContact O-N 3.25Å; V10-Q91 HydrophobicContact CG1-CB 4.4Å; V10-Q91 HydrophobicContact CG1-CG 4.01Å; V10-R96 HydrophobicContact CG2-CB 4.3Å; V10-R96 HydrophobicContact CG2-CG 4.18Å; V10-V98 HydrophobicContact CG1-CG2 3.69Å; V10-L115 HydrophobicContact CG2-CD1 3.84Å |
| 11 | F | 88.9 | Confident | 88.3 | Confident | 9 Ų | 9 | 34.6 Ų | 34.6 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.2 | -49.8 | 173.4 | -62.1 | -49.9 | 0 | 0 | 0 | 111.5 | N7 I8 I13 V14 N15 Q91 Y241 R245 | N7-F11 WeakPolarHBondContact O-CD2 3.3Å; N7-F11 PolarHBondContact O-N 3.39Å; N7-F11 VanDerWaalsContact O-N 3.12Å; N7-F11 WeakPolarHBondContact OD1-CZ 2.99Å; I8-F11 PolarHBondContact O-N 3.49Å; F11-I13 PolarHBondContact O-N 2.87Å; F11-V14 PolarHBondContact O-N 3.21Å; F11-N15 PolarHBondContact O-N 3.01Å; F11-N15 VanDerWaalsContact O-N 3.1Å; F11-Q91 VanDerWaalsContact CE1-CD 3.45Å; F11-Y241 HydrophobicContact CD2-CE2 4.2Å; F11-Y241 HydrophobicContact CE2-CD2 4.25Å; F11-Y241 HydrophobicContact CE2-CE1 4.15Å; F11-Y241 AromaticContact CE2-CE2 3.38Å; F11-Y241 HydrophobicContact CE2-CE2 3.38Å; F11-Y241 AromaticContact CE2-CZ 3.32Å; F11-Y241 VanDerWaalsContact CE2-OH 3.24Å; F11-Y241 WeakPolarHBondContact CE2-OH 3.18Å; F11-Y241 HydrophobicContact CZ-CE1 4.3Å; F11-Y241 HydrophobicContact CZ-CE2 4.17Å; F11-Y241 AromaticContact CZ-CZ 3.63Å; F11-Y241 WeakPolarHBondContact CZ-OH 3.41Å; F11-R245 HydrophobicContact CD1-CG 4.2Å |
| 12 | A | 91 | Very high | 89.7 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59 | -48.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | I8 N15 D16 C249 P274 F291 | I8-A12 PolarHBondContact O-N 3.5Å; A12-N15 PolarHBondContact O-N 3.33Å; A12-D16 PolarHBondContact O-N 2.94Å; A12-D16 VanDerWaalsContact O-N 3.16Å; A12-C249 VanDerWaalsContact CB-SG 3.5Å; A12-P274 HydrophobicContact CB-CB 3.49Å; A12-P274 VanDerWaalsContact CB-CB 3.49Å; A12-P274 HydrophobicContact CB-CG 4.15Å; A12-F291 HydrophobicContact CB-CB 4.21Å; A12-F291 HydrophobicContact CB-CD1 3.6Å; A12-F291 HydrophobicContact CB-CE1 4.09Å; A12-F291 HydrophobicContact CB-CG 3.89Å |
| 13 | I | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.6 | -38.3 | -179.3 | -161 | 70.8 | 0 | 0 | 0 | 112.2 | F5 D9 V10 F11 N15 D16 L17 I57 H58 F291 N292 | F5-I13 HydrophobicContact CD2-CG2 4.35Å; F5-I13 HydrophobicContact CE2-CB 4.13Å; F5-I13 HydrophobicContact CE2-CG1 4.28Å; F5-I13 HydrophobicContact CE2-CG2 3.93Å; D9-I13 WeakPolarHBondContact O-CB 3.35Å; D9-I13 WeakPolarHBondContact O-CG2 3.31Å; D9-I13 PolarHBondContact O-N 3.07Å; V10-I13 WeakPolarHBondContact O-CG2 3.42Å; F11-I13 PolarHBondContact O-N 2.87Å; I13-N15 PolarHBondContact O-N 2.99Å; I13-D16 PolarHBondContact O-N 2.94Å; I13-L17 HydrophobicContact CG1-CD1 3.93Å; I13-L17 HydrophobicContact CG1-CG 4.11Å; I13-L17 WeakPolarHBondContact O-CB 3.42Å; I13-L17 WeakPolarHBondContact O-CG 3.5Å; I13-L17 PolarHBondContact O-N 2.98Å; I13-I57 VanDerWaalsContact CG1-O 3.32Å; I13-I57 WeakPolarHBondContact CG1-O 3.26Å; I13-H58 HydrophobicContact CD1-CB 4.17Å; I13-F291 HydrophobicContact CB-CD1 4.15Å; I13-F291 HydrophobicContact CB-CE1 4.18Å; I13-F291 HydrophobicContact CD1-CD1 4.18Å; I13-N292 HydrophobicContact CD1-CB 3.89Å |
| 14 | V | 92.9 | Very high | 91.4 | Very high | 15 Ų | 15 | 32.6 Ų | 32.6 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.4 | -33.8 | 178.9 | 166.5 | 0 | 0 | 0 | 0 | 110.6 | V10 F11 Q18 V89 V98 | V10-V14 HydrophobicContact CG1-CG2 4.07Å; V10-V14 VanDerWaalsContact O-CB 3.28Å; V10-V14 WeakPolarHBondContact O-CB 3.42Å; V10-V14 WeakPolarHBondContact O-CG2 3.2Å; V10-V14 PolarHBondContact O-N 3.25Å; F11-V14 PolarHBondContact O-N 3.21Å; V14-Q18 WeakPolarHBondContact O-CG 3.49Å; V14-Q18 PolarHBondContact O-N 3.43Å; V14-Q18 PolarHBondContact O-NE2 3.39Å; V14-Q18 VanDerWaalsContact O-NE2 3.07Å; V14-V89 HydrophobicContact CG1-CG1 4.38Å; V14-V98 HydrophobicContact CG2-CG1 4.08Å; V14-V98 HydrophobicContact CG2-CG2 3.93Å |
| 15 | N | 91.4 | Very high | 91.7 | Very high | 36 Ų | 36 | 27.1 Ų | 27.1 | 19% | 0.193 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.3 | -45.9 | 175 | -154.3 | 6.5 | 0 | 0 | 0 | 112.1 | F11 A12 I13 L17 Q18 K246 E247 S248 | F11-N15 PolarHBondContact O-N 3.01Å; F11-N15 VanDerWaalsContact O-N 3.1Å; A12-N15 PolarHBondContact O-N 3.33Å; I13-N15 PolarHBondContact O-N 2.99Å; N15-L17 PolarHBondContact O-N 3.43Å; N15-Q18 VanDerWaalsContact O-CB 3.31Å; N15-Q18 WeakPolarHBondContact O-CB 3.45Å; N15-Q18 VanDerWaalsContact O-CG 3.3Å; N15-Q18 WeakPolarHBondContact O-CG 3.39Å; N15-Q18 PolarHBondContact O-N 3.24Å; N15-Q18 VanDerWaalsContact O-N 3.12Å; N15-K246 PolarHBondContact ND2-O 3.18Å; N15-K246 VanDerWaalsContact ND2-O 3.1Å; N15-E247 PolarHBondContact ND2-N 3.12Å; N15-E247 PolarHBondContact ND2-O 3.34Å; N15-S248 PolarHBondContact ND2-N 3.37Å |
| 16 | D | 91.6 | Very high | 91.8 | Very high | 19 Ų | 19 | 30 Ų | 30 | 10% | 0.102 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.9 | -35.5 | 175.7 | -74.5 | -3.3 | 0 | 0 | 0 | 112.2 | A12 I13 Q18 S19 F291 N292 | A12-D16 PolarHBondContact O-N 2.94Å; A12-D16 VanDerWaalsContact O-N 3.16Å; I13-D16 PolarHBondContact O-N 2.94Å; D16-Q18 VanDerWaalsContact C-N 3.28Å; D16-Q18 PolarHBondContact O-N 2.88Å; D16-S19 PolarHBondContact O-OG 3.47Å; D16-F291 WeakPolarHBondContact OD2-CB 3.37Å; D16-F291 PolarHBondContact OD2-N 3.33Å; D16-F291 VanDerWaalsContact OD2-N 3.12Å; D16-N292 HydrophobicContact CB-CB 3.92Å; D16-N292 VanDerWaalsContact OD2-CB 3.28Å; D16-N292 WeakPolarHBondContact OD2-CB 3.23Å; D16-N292 PolarHBondContact OD2-N 3.2Å |
| 17 | L | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -74.8 | -10.1 | 179 | -66.9 | 173.8 | 0 | 0 | 0 | 113.9 | I13 N15 S19 L20 L49 I57 T59 V89 F100 | I13-L17 HydrophobicContact CG1-CD1 3.93Å; I13-L17 HydrophobicContact CG1-CG 4.11Å; I13-L17 WeakPolarHBondContact O-CB 3.42Å; I13-L17 WeakPolarHBondContact O-CG 3.5Å; I13-L17 PolarHBondContact O-N 2.98Å; N15-L17 PolarHBondContact O-N 3.43Å; L17-S19 PolarHBondContact O-N 2.99Å; L17-L20 HydrophobicContact CB-CD1 4.44Å; L17-L20 HydrophobicContact CD2-CD1 3.53Å; L17-L20 HydrophobicContact CD2-CG 4.43Å; L17-L20 WeakPolarHBondContact O-CB 3.35Å; L17-L20 PolarHBondContact O-N 2.93Å; L17-L49 HydrophobicContact CD1-CD1 4.35Å; L17-L49 HydrophobicContact CD2-CD1 3.68Å; L17-I57 HydrophobicContact CD1-CG2 3.85Å; L17-T59 HydrophobicContact CD2-CG2 3.91Å; L17-V89 HydrophobicContact CB-CG1 4.16Å; L17-F100 HydrophobicContact CD1-CE1 4.4Å; L17-F100 HydrophobicContact CD1-CZ 4.19Å |
| 18 | Q | 92.2 | Very high | 92.3 | Very high | 74 Ų | 74 | 27.1 Ų | 27.1 | 35% | 0.346 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -58.5 | -28.7 | 173.2 | -63.6 | -59.9 | -55.1 | 0 | 0 | 111.6 | V14 N15 D16 L20 I21 V89 | V14-Q18 WeakPolarHBondContact O-CG 3.49Å; V14-Q18 PolarHBondContact O-N 3.43Å; V14-Q18 PolarHBondContact O-NE2 3.39Å; V14-Q18 VanDerWaalsContact O-NE2 3.07Å; N15-Q18 VanDerWaalsContact O-CB 3.31Å; N15-Q18 WeakPolarHBondContact O-CB 3.45Å; N15-Q18 VanDerWaalsContact O-CG 3.3Å; N15-Q18 WeakPolarHBondContact O-CG 3.39Å; N15-Q18 PolarHBondContact O-N 3.24Å; N15-Q18 VanDerWaalsContact O-N 3.12Å; D16-Q18 VanDerWaalsContact C-N 3.28Å; D16-Q18 PolarHBondContact O-N 2.88Å; Q18-L20 PolarHBondContact O-N 3.42Å; Q18-L20 VanDerWaalsContact O-N 3.08Å; Q18-I21 HydrophobicContact CB-CD1 4.42Å; Q18-I21 WeakPolarHBondContact O-CB 3.45Å; Q18-I21 WeakPolarHBondContact O-CG1 3.48Å; Q18-I21 PolarHBondContact O-N 3.13Å; Q18-I21 VanDerWaalsContact O-N 3.11Å; Q18-V89 PolarHBondContact NE2-O 3.36Å |
| 19 | S | 90.2 | Very high | 92.5 | Very high | 94 Ų | 94 | 28.8 Ų | 28.8 | 66% | 0.657 | 15% | 0.147 | S | C | * | . | G | 310 helix | trans | -58.5 | -18.7 | 174.9 | 61.5 | 0 | 0 | 0 | 0 | 114.4 | D16 L17 | D16-S19 PolarHBondContact O-OG 3.47Å; L17-S19 PolarHBondContact O-N 2.99Å |
| 20 | L | 92.5 | Very high | 92.3 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -86.9 | -9.8 | -179.7 | -57.3 | -179.4 | 0 | 0 | 0 | 113.7 | L17 Q18 G22 M23 L40 A47 L49 T59 L86 | L17-L20 HydrophobicContact CB-CD1 4.44Å; L17-L20 HydrophobicContact CD2-CD1 3.53Å; L17-L20 HydrophobicContact CD2-CG 4.43Å; L17-L20 WeakPolarHBondContact O-CB 3.35Å; L17-L20 PolarHBondContact O-N 2.93Å; Q18-L20 PolarHBondContact O-N 3.42Å; Q18-L20 VanDerWaalsContact O-N 3.08Å; L20-G22 PolarHBondContact O-N 2.89Å; L20-M23 HydrophobicContact CB-SD 4.41Å; L20-M23 HydrophobicContact CD2-SD 3.7Å; L20-M23 WeakPolarHBondContact O-CB 3.25Å; L20-M23 VanDerWaalsContact O-CG 3.27Å; L20-M23 WeakPolarHBondContact O-CG 3.33Å; L20-M23 PolarHBondContact O-N 3.26Å; L20-M23 VanDerWaalsContact O-N 3.13Å; L20-L40 HydrophobicContact CB-CD1 4.08Å; L20-L40 HydrophobicContact CD1-CD1 3.87Å; L20-L40 HydrophobicContact CD2-CD1 4.3Å; L20-L40 HydrophobicContact CG-CD1 4.33Å; L20-A47 HydrophobicContact CD2-CB 3.44Å; L20-A47 VanDerWaalsContact CD2-CB 3.44Å; L20-L49 HydrophobicContact CD1-CB 4.48Å; L20-L49 HydrophobicContact CD1-CD1 4.22Å; L20-T59 HydrophobicContact CD1-CG2 3.82Å; L20-T59 HydrophobicContact CD2-CG2 4.08Å; L20-T59 HydrophobicContact CG-CG2 4.38Å; L20-L86 HydrophobicContact CB-CD2 3.78Å |
| 21 | I | 93.4 | Very high | 92 | Very high | 54 Ų | 54 | 30.1 Ų | 30.1 | 28% | 0.277 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 132.7 | -179.4 | -66.2 | 172.3 | 0 | 0 | 0 | 109.4 | Q18 E87 V89 | Q18-I21 HydrophobicContact CB-CD1 4.42Å; Q18-I21 WeakPolarHBondContact O-CB 3.45Å; Q18-I21 WeakPolarHBondContact O-CG1 3.48Å; Q18-I21 PolarHBondContact O-N 3.13Å; Q18-I21 VanDerWaalsContact O-N 3.11Å; I21-E87 WeakPolarHBondContact CG2-O 3.35Å; I21-V89 HydrophobicContact CG1-CG2 4.4Å |
| 22 | G | 91.9 | Very high | 91.7 | Very high | 10 Ų | 10 | 32.1 Ų | 32.1 | 10% | 0.103 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -10.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L20 L86 | L20-G22 PolarHBondContact O-N 2.89Å; G22-L86 PolarHBondContact N-O 3.46Å |
| 23 | M | 94.3 | Very high | 91.3 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 5% | 0.054 | 19% | 0.191 | C | C | . | . | trans | -77.4 | 143.7 | 175.4 | -54.7 | -173.3 | 85.1 | 0 | 0 | 111.9 | L20 L40 K42 F45 A47 R85 L86 | L20-M23 HydrophobicContact CB-SD 4.41Å; L20-M23 HydrophobicContact CD2-SD 3.7Å; L20-M23 WeakPolarHBondContact O-CB 3.25Å; L20-M23 VanDerWaalsContact O-CG 3.27Å; L20-M23 WeakPolarHBondContact O-CG 3.33Å; L20-M23 PolarHBondContact O-N 3.26Å; L20-M23 VanDerWaalsContact O-N 3.13Å; M23-L40 HydrophobicContact CB-CB 3.8Å; M23-L40 HydrophobicContact CB-CD2 4.33Å; M23-L40 HydrophobicContact CB-CG 4.49Å; M23-L40 HydrophobicContact CE-CB 4.17Å; M23-L40 HydrophobicContact SD-CB 3.92Å; M23-K42 HydrophobicContact CB-CB 4.27Å; M23-K42 HydrophobicContact CE-CB 4.2Å; M23-K42 HydrophobicContact CG-CB 3.82Å; M23-F45 HydrophobicContact CE-CB 4.38Å; M23-F45 WeakPolarHBondContact CE-O 3.32Å; M23-A47 HydrophobicContact CE-CB 3.93Å; M23-A47 HydrophobicContact SD-CB 3.84Å; M23-R85 WeakPolarHBondContact O-CA 3.48Å; M23-L86 PolarHBondContact O-N 2.91Å | ||
| 24 | R | 94.4 | Very high | 91 | Very high | 148 Ų | 148 | 42.9 Ų | 42.9 | 56% | 0.558 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 141.6 | 176.6 | -66 | -173.1 | -174.8 | -171.5 | 3 | 111.8 | N26 L40 V41 K84 R85 | R24-N26 PolarHBondContact O-N 3.44Å; R24-L40 CarbonylContact O-C 3.55Å; R24-L40 WeakPolarHBondContact O-CA 3.16Å; R24-V41 PolarHBondContact N-O 2.88Å; R24-V41 PolarHBondContact O-N 3.31Å; R24-K84 CarbonylContact C-O 3.57Å; R24-K84 WeakPolarHBondContact CA-O 3.49Å; R24-R85 HydrophobicContact CG-CB 4.32Å |
| 25 | V | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 110.4 | 174.1 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | V28 I38 L40 L81 Q83 K84 F102 | V25-V28 HydrophobicContact CG1-CG2 4.04Å; V25-I38 HydrophobicContact CB-CG2 4.46Å; V25-I38 HydrophobicContact CG1-CG2 3.9Å; V25-I38 HydrophobicContact CG2-CG2 3.97Å; V25-L40 HydrophobicContact CG2-CD2 3.73Å; V25-L81 VanDerWaalsContact CB-O 3.32Å; V25-L81 WeakPolarHBondContact CB-O 3.21Å; V25-L81 HydrophobicContact CG1-CB 4.36Å; V25-L81 HydrophobicContact CG2-CB 4.49Å; V25-Q83 PolarHBondContact O-N 3.44Å; V25-K84 PolarHBondContact N-O 3.24Å; V25-F102 HydrophobicContact CG2-CD1 3.63Å; V25-F102 HydrophobicContact CG2-CE1 3.44Å; V25-F102 VanDerWaalsContact CG2-CE1 3.44Å; V25-F102 HydrophobicContact CG2-CZ 4.4Å |
| 26 | N | 93.6 | Very high | 91 | Very high | 62 Ų | 62 | 41 Ų | 41 | 33% | 0.332 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | -49.1 | 173.8 | -179.8 | -44.4 | 0 | 0 | 0 | 110.9 | R24 R39 V41 R82 | R24-N26 PolarHBondContact O-N 3.44Å; N26-R39 HydrophobicContact CB-CB 4.46Å; N26-R39 HydrophobicContact CB-CG 4.16Å; N26-R39 PolarHBondContact N-O 3.47Å; N26-V41 HydrophobicContact CB-CG2 3.67Å; N26-R82 PolarHBondContact O-NE 3.23Å |
| 27 | N | 93 | Very high | 91.1 | Very high | 26 Ų | 26 | 40.2 Ų | 40.2 | 14% | 0.139 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 161.7 | -179.6 | -156 | -0.5 | 0 | 0 | 0 | 112 | Y29 R39 R78 | N27-Y29 HydrophobicContact CB-CE2 4.03Å; N27-Y29 PolarHBondContact ND2-OH 2.99Å; N27-R39 PolarHBondContact O-N 2.92Å; N27-R78 PolarHBondContact OD1-NE 3.22Å; N27-R78 VanDerWaalsContact OD1-NE 3.15Å |
| 28 | V | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 133.4 | 176.4 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | V25 L37 I38 S74 L77 R78 | V25-V28 HydrophobicContact CG1-CG2 4.04Å; V28-L37 CarbonylContact C-O 3.57Å; V28-L37 WeakPolarHBondContact CA-O 3.05Å; V28-I38 HydrophobicContact CG1-CG1 4.2Å; V28-I38 HydrophobicContact CG2-CG1 4.19Å; V28-S74 PolarHBondContact O-OG 3.47Å; V28-L77 HydrophobicContact CB-CB 4.46Å; V28-L77 HydrophobicContact CG1-CB 4.08Å; V28-L77 HydrophobicContact CG1-CD1 3.9Å; V28-L77 HydrophobicContact CG2-CB 4.32Å; V28-R78 HydrophobicContact CB-CG 4Å; V28-R78 HydrophobicContact CG2-CG 4.46Å; V28-R78 PolarHBondContact O-NE 3.03Å; V28-R78 PolarHBondContact O-NH2 3.38Å |
| 29 | Y | 91.2 | Very high | 91.2 | Very high | 39 Ų | 39 | 40.6 Ų | 40.6 | 15% | 0.153 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 157.5 | 178.5 | -51.3 | -86.8 | 0 | 0 | 0 | 110.4 | N27 Y36 L37 R39 M48 K66 | N27-Y29 HydrophobicContact CB-CE2 4.03Å; N27-Y29 PolarHBondContact ND2-OH 2.99Å; Y29-Y36 CarbonylContact O-C 3.54Å; Y29-Y36 WeakPolarHBondContact O-CA 3.32Å; Y29-L37 HydrophobicContact CD2-CD2 4.47Å; Y29-L37 PolarHBondContact N-O 3.24Å; Y29-L37 PolarHBondContact O-N 3.33Å; Y29-R39 HydrophobicContact CE2-CB 4.17Å; Y29-M48 HydrophobicContact CD2-CE 4.42Å; Y29-M48 HydrophobicContact CE2-CE 4.39Å; Y29-K66 HydrophobicContact CD1-CD 3.73Å; Y29-K66 HydrophobicContact CD1-CG 4.47Å; Y29-K66 HydrophobicContact CD2-CD 4.24Å; Y29-K66 HydrophobicContact CE1-CD 4.13Å; Y29-K66 HydrophobicContact CG-CD 3.78Å; Y29-K66 HydrophobicContact CG-CG 4.35Å |
| 30 | D | 88.8 | Confident | 91.4 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.7 | 169.8 | 54.5 | -23.9 | 0 | 0 | 0 | 110.3 | Y36 N67 S71 | D30-Y36 HydrophobicContact CB-CD1 3.82Å; D30-Y36 HydrophobicContact CB-CE1 3.76Å; D30-N67 PolarHBondContact O-N 2.84Å; D30-N67 PolarHBondContact O-ND2 3.4Å; D30-S71 WeakPolarHBondContact OD2-CA 3.27Å; D30-S71 WeakPolarHBondContact OD2-CB 3.23Å; D30-S71 PolarHBondContact OD2-N 2.94Å; D30-S71 PolarHBondContact OD2-OG 3.25Å |
| 31 | I | 83.9 | Confident | 91.4 | Very high | 25 Ų | 25 | 37.3 Ų | 37.3 | 13% | 0.128 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -96.2 | -47.5 | 177.2 | -65.4 | 161.3 | 0 | 0 | 0 | 108.4 | T35 L50 W64 N67 | I31-T35 HydrophobicContact CB-CG2 4.42Å; I31-T35 HydrophobicContact CD1-CG2 3.92Å; I31-T35 PolarHBondContact N-O 3.48Å; I31-L50 HydrophobicContact CD1-CD1 3.91Å; I31-W64 HydrophobicContact CD1-CB 3.43Å; I31-W64 VanDerWaalsContact CD1-CB 3.43Å; I31-W64 HydrophobicContact CD1-CD2 3.97Å; I31-W64 HydrophobicContact CD1-CE3 4.08Å; I31-W64 HydrophobicContact CD1-CG 3.71Å; I31-W64 HydrophobicContact CG1-CB 3.95Å; I31-N67 PolarHBondContact O-ND2 3.14Å; I31-N67 VanDerWaalsContact O-ND2 3.14Å; I31-N67 PolarHBondContact O-OD1 3.02Å |
| 32 | D | 83.2 | Confident | 91.2 | Very high | 52 Ų | 52 | 40.1 Ų | 40.1 | 28% | 0.278 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -141.2 | -169.6 | 173.2 | 72.1 | 4.3 | 0 | 0 | 0 | 110.2 | R34 T35 | D32-R34 PolarHBondContact O-N 2.83Å; D32-R34 VanDerWaalsContact O-N 3.13Å; D32-R34 WeakPolarHBondContact OD1-CG 3.32Å; D32-R34 PolarHBondContact OD1-N 2.98Å; D32-T35 WeakPolarHBondContact OD1-CA 3.48Å; D32-T35 WeakPolarHBondContact OD1-CB 3.45Å; D32-T35 PolarHBondContact OD1-N 2.69Å; D32-T35 PolarHBondContact OD1-OG1 2.75Å |
| 33 | H | 83.3 | Confident | 90.8 | Very high | 120 Ų | 120 | 42 Ų | 42 | 56% | 0.556 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -70.9 | -0.4 | -178.3 | 58.1 | -78.9 | 0 | 0 | 0 | 114.7 | ||
| 34 | R | 87.4 | Confident | 89.8 | Confident | 106 Ų | 106 | 44.5 Ų | 44.5 | 40% | 0.4 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -137.2 | -12.1 | -175.7 | 29 | 178.1 | 144.9 | 164.4 | -3.3 | 113.7 | D32 E52 S53 | D32-R34 PolarHBondContact O-N 2.83Å; D32-R34 VanDerWaalsContact O-N 3.13Å; D32-R34 WeakPolarHBondContact OD1-CG 3.32Å; D32-R34 PolarHBondContact OD1-N 2.98Å; R34-E52 WeakPolarHBondContact O-CA 3.48Å; R34-S53 WeakPolarHBondContact O-CB 3.38Å; R34-S53 PolarHBondContact O-N 3.44Å |
| 35 | T | 90.4 | Very high | 89.2 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 121.6 | -174.3 | -45.1 | 0 | 0 | 0 | 0 | 110.3 | I31 D32 L50 F51 E52 | I31-T35 HydrophobicContact CB-CG2 4.42Å; I31-T35 HydrophobicContact CD1-CG2 3.92Å; I31-T35 PolarHBondContact N-O 3.48Å; D32-T35 WeakPolarHBondContact OD1-CA 3.48Å; D32-T35 WeakPolarHBondContact OD1-CB 3.45Å; D32-T35 PolarHBondContact OD1-N 2.69Å; D32-T35 PolarHBondContact OD1-OG1 2.75Å; T35-L50 HydrophobicContact CG2-CD1 4.23Å; T35-L50 HydrophobicContact CG2-CD2 3.97Å; T35-L50 HydrophobicContact CG2-CG 4.02Å; T35-F51 WeakPolarHBondContact CA-O 3.35Å; T35-E52 HydrophobicContact CG2-CB 4.35Å |
| 36 | Y | 93.4 | Very high | 88.9 | Confident | 3 Ų | 3 | 50 Ų | 50 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 155.8 | -177.8 | -63.6 | -86.7 | 0 | 0 | 0 | 110.6 | Y29 D30 L50 F51 F73 L77 L134 | Y29-Y36 CarbonylContact O-C 3.54Å; Y29-Y36 WeakPolarHBondContact O-CA 3.32Å; D30-Y36 HydrophobicContact CB-CD1 3.82Å; D30-Y36 HydrophobicContact CB-CE1 3.76Å; Y36-L50 WeakPolarHBondContact O-CA 3.44Å; Y36-F51 VanDerWaalsContact CB-CE2 3.45Å; Y36-F51 VanDerWaalsContact CB-CZ 3.45Å; Y36-F51 HydrophobicContact CD2-CD2 4.28Å; Y36-F51 AromaticContact CD2-CE2 3.68Å; Y36-F51 HydrophobicContact CD2-CE2 3.68Å; Y36-F51 HydrophobicContact CD2-CZ 4.41Å; Y36-F51 AromaticContact CG-CE2 3.86Å; Y36-F51 HydrophobicContact CG-CE2 3.86Å; Y36-F51 HydrophobicContact CG-CZ 4.14Å; Y36-F51 PolarHBondContact N-O 3.25Å; Y36-F51 PolarHBondContact O-N 2.8Å; Y36-F73 HydrophobicContact CD1-CD1 4.43Å; Y36-F73 AromaticContact CE1-CD1 3.69Å; Y36-F73 HydrophobicContact CE1-CD1 3.69Å; Y36-F73 HydrophobicContact CE1-CE1 4.47Å; Y36-F73 HydrophobicContact CE2-CD1 4.06Å; Y36-F73 HydrophobicContact CE2-CE1 4.29Å; Y36-F73 AromaticContact CZ-CD1 3.49Å; Y36-F73 VanDerWaalsContact CZ-CD1 3.49Å; Y36-L77 HydrophobicContact CD1-CD1 4.47Å; Y36-L134 HydrophobicContact CE2-CD1 4.1Å; Y36-L134 HydrophobicContact CE2-CD2 4.04Å; Y36-L134 WeakPolarHBondContact OH-CD1 3.35Å |
| 37 | L | 92.5 | Very high | 88.8 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 113.6 | -174.4 | -169.6 | 74.4 | 0 | 0 | 0 | 110 | V28 Y29 M48 L49 L50 T60 | V28-L37 CarbonylContact C-O 3.57Å; V28-L37 WeakPolarHBondContact CA-O 3.05Å; Y29-L37 HydrophobicContact CD2-CD2 4.47Å; Y29-L37 PolarHBondContact N-O 3.24Å; Y29-L37 PolarHBondContact O-N 3.33Å; L37-M48 HydrophobicContact CD1-CB 4.08Å; L37-M48 HydrophobicContact CD1-CE 4.27Å; L37-M48 HydrophobicContact CD2-CE 3.2Å; L37-M48 HydrophobicContact CG-CE 3.55Å; L37-L49 CarbonylContact C-O 3.57Å; L37-L49 VanDerWaalsContact CA-O 3.31Å; L37-L49 WeakPolarHBondContact CA-O 3.4Å; L37-L50 HydrophobicContact CD1-CB 3.72Å; L37-L50 HydrophobicContact CD1-CD1 4.21Å; L37-L50 HydrophobicContact CD1-CG 4.27Å; L37-T60 HydrophobicContact CD1-CG2 3.82Å |
| 38 | I | 95.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 122.6 | 176.3 | -59.7 | -179.1 | 0 | 0 | 0 | 108.7 | V25 V28 L40 L49 F51 F102 | V25-I38 HydrophobicContact CB-CG2 4.46Å; V25-I38 HydrophobicContact CG1-CG2 3.9Å; V25-I38 HydrophobicContact CG2-CG2 3.97Å; V28-I38 HydrophobicContact CG1-CG1 4.2Å; V28-I38 HydrophobicContact CG2-CG1 4.19Å; I38-L40 HydrophobicContact CG2-CD2 4.06Å; I38-L40 HydrophobicContact CG2-CG 4.09Å; I38-L49 HydrophobicContact CB-CB 4.34Å; I38-L49 PolarHBondContact N-O 2.65Å; I38-L49 PolarHBondContact O-N 3.48Å; I38-F51 HydrophobicContact CD1-CE1 3.7Å; I38-F51 HydrophobicContact CD1-CZ 4.37Å; I38-F51 HydrophobicContact CG1-CE1 3.89Å; I38-F102 HydrophobicContact CD1-CZ 4.17Å |
| 39 | R | 94 | Very high | 88.9 | Confident | 79 Ų | 79 | 48.1 Ų | 48.1 | 30% | 0.298 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 111.5 | 171.9 | -176.9 | 175.4 | -140.1 | -178.9 | 4.1 | 109.3 | N26 N27 Y29 V41 M48 | N26-R39 HydrophobicContact CB-CB 4.46Å; N26-R39 HydrophobicContact CB-CG 4.16Å; N26-R39 PolarHBondContact N-O 3.47Å; N27-R39 PolarHBondContact O-N 2.92Å; Y29-R39 HydrophobicContact CE2-CB 4.17Å; R39-V41 HydrophobicContact CG-CG2 4.32Å; R39-M48 HydrophobicContact CB-CE 4.03Å; R39-M48 HydrophobicContact CB-SD 3.71Å; R39-M48 HydrophobicContact CG-CE 4.45Å; R39-M48 HydrophobicContact CG-SD 3.57Å; R39-M48 VanDerWaalsContact CG-SD 3.57Å |
| 40 | L | 94.3 | Very high | 89 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 140.4 | 175.6 | -66.8 | 168 | 0 | 0 | 0 | 109.7 | L20 M23 R24 V25 I38 K46 A47 L49 L86 F102 | L20-L40 HydrophobicContact CB-CD1 4.08Å; L20-L40 HydrophobicContact CD1-CD1 3.87Å; L20-L40 HydrophobicContact CD2-CD1 4.3Å; L20-L40 HydrophobicContact CG-CD1 4.33Å; M23-L40 HydrophobicContact CB-CB 3.8Å; M23-L40 HydrophobicContact CB-CD2 4.33Å; M23-L40 HydrophobicContact CB-CG 4.49Å; M23-L40 HydrophobicContact CE-CB 4.17Å; M23-L40 HydrophobicContact SD-CB 3.92Å; R24-L40 CarbonylContact O-C 3.55Å; R24-L40 WeakPolarHBondContact O-CA 3.16Å; V25-L40 HydrophobicContact CG2-CD2 3.73Å; I38-L40 HydrophobicContact CG2-CD2 4.06Å; I38-L40 HydrophobicContact CG2-CG 4.09Å; L40-K46 WeakPolarHBondContact O-CA 3.31Å; L40-A47 HydrophobicContact CB-CB 4.33Å; L40-A47 PolarHBondContact N-O 3.18Å; L40-A47 PolarHBondContact O-N 2.98Å; L40-L49 HydrophobicContact CD1-CB 4.26Å; L40-L86 HydrophobicContact CD1-CD2 4.29Å; L40-F102 HydrophobicContact CD2-CE1 4.44Å |
| 41 | V | 92.8 | Very high | 89.2 | Confident | 31 Ų | 31 | 46.1 Ų | 46.1 | 19% | 0.188 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 131.9 | -179.4 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | R24 N26 R39 S43 F45 K46 | R24-V41 PolarHBondContact N-O 2.88Å; R24-V41 PolarHBondContact O-N 3.31Å; N26-V41 HydrophobicContact CB-CG2 3.67Å; R39-V41 HydrophobicContact CG-CG2 4.32Å; V41-S43 WeakPolarHBondContact CG1-O 3.32Å; V41-F45 WeakPolarHBondContact CA-O 3.42Å; V41-K46 HydrophobicContact CG1-CG 4.49Å; V41-K46 HydrophobicContact CG2-CG 4.19Å |
| 42 | K | 88.4 | Confident | 89.6 | Confident | 114 Ų | 114 | 46.5 Ų | 46.5 | 50% | 0.496 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 113.7 | 166.6 | -177.7 | -176.3 | 178.3 | -168.4 | 0 | 106.4 | M23 D44 F45 | M23-K42 HydrophobicContact CB-CB 4.27Å; M23-K42 HydrophobicContact CE-CB 4.2Å; M23-K42 HydrophobicContact CG-CB 3.82Å; K42-D44 PolarHBondContact O-N 3.36Å; K42-F45 PolarHBondContact N-O 2.97Å; K42-F45 WeakPolarHBondContact O-CB 3.38Å; K42-F45 PolarHBondContact O-N 3.38Å |
| 43 | S | 84.2 | Confident | 90 | Very high | 50 Ų | 50 | 44.2 Ų | 44.2 | 35% | 0.35 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | -125.5 | -173.5 | -41.4 | 0 | 0 | 0 | 0 | 110.4 | V41 | V41-S43 WeakPolarHBondContact CG1-O 3.32Š|
| 44 | D | 73.6 | Confident | 90.3 | Very high | 62 Ų | 62 | 38.6 Ų | 38.6 | 33% | 0.332 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -14.7 | 176.1 | -77.9 | -43.8 | 0 | 0 | 0 | 114.9 | K42 K46 | K42-D44 PolarHBondContact O-N 3.36Å; D44-K46 PolarHBondContact O-N 2.95Å |
| 45 | F | 82 | Confident | 90.5 | Very high | 130 Ų | 130 | 34.5 Ų | 34.5 | 57% | 0.57 | 17% | 0.168 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 127.6 | -179.7 | -63.8 | -79.5 | 0 | 0 | 0 | 111.1 | M23 V41 K42 T828 | M23-F45 HydrophobicContact CE-CB 4.38Å; M23-F45 WeakPolarHBondContact CE-O 3.32Å; V41-F45 WeakPolarHBondContact CA-O 3.42Å; K42-F45 PolarHBondContact N-O 2.97Å; K42-F45 WeakPolarHBondContact O-CB 3.38Å; K42-F45 PolarHBondContact O-N 3.38Å; F45-T828 HydrophobicContact CZ-CG2 4.23Å |
| 46 | K | 89 | Confident | 90.6 | Very high | 133 Ų | 133 | 34.8 Ų | 34.8 | 58% | 0.578 | 17% | 0.168 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 122.3 | 179 | -61.9 | 174.1 | -174.5 | 147 | 0 | 108.5 | L40 V41 D44 | L40-K46 WeakPolarHBondContact O-CA 3.31Å; V41-K46 HydrophobicContact CG1-CG 4.49Å; V41-K46 HydrophobicContact CG2-CG 4.19Å; D44-K46 PolarHBondContact O-N 2.95Å |
| 47 | A | 91.1 | Very high | 90.7 | Very high | 16 Ų | 16 | 34.6 Ų | 34.6 | 13% | 0.132 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 141.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | L20 M23 L40 | L20-A47 HydrophobicContact CD2-CB 3.44Å; L20-A47 VanDerWaalsContact CD2-CB 3.44Å; M23-A47 HydrophobicContact CE-CB 3.93Å; M23-A47 HydrophobicContact SD-CB 3.84Å; L40-A47 HydrophobicContact CB-CB 4.33Å; L40-A47 PolarHBondContact N-O 3.18Å; L40-A47 PolarHBondContact O-N 2.98Å |
| 48 | M | 92.5 | Very high | 90.8 | Very high | 33 Ų | 33 | 34.5 Ų | 34.5 | 16% | 0.163 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 97.2 | 176.4 | -60.8 | -62.7 | -59.2 | 0 | 0 | 108 | Y29 L37 R39 L50 T59 T60 | Y29-M48 HydrophobicContact CD2-CE 4.42Å; Y29-M48 HydrophobicContact CE2-CE 4.39Å; L37-M48 HydrophobicContact CD1-CB 4.08Å; L37-M48 HydrophobicContact CD1-CE 4.27Å; L37-M48 HydrophobicContact CD2-CE 3.2Å; L37-M48 HydrophobicContact CG-CE 3.55Å; R39-M48 HydrophobicContact CB-CE 4.03Å; R39-M48 HydrophobicContact CB-SD 3.71Å; R39-M48 HydrophobicContact CG-CE 4.45Å; R39-M48 HydrophobicContact CG-SD 3.57Å; R39-M48 VanDerWaalsContact CG-SD 3.57Å; M48-L50 PolarHBondContact O-N 3.24Å; M48-T59 CarbonylContact O-C 3.53Å; M48-T59 VanDerWaalsContact O-CA 3.23Å; M48-T59 WeakPolarHBondContact O-CA 3.23Å; M48-T60 HydrophobicContact CB-CG2 4.07Å; M48-T60 PolarHBondContact O-N 3.1Å |
| 49 | L | 95 | Very high | 90.7 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 114.7 | 178.1 | 175.9 | 64 | 0 | 0 | 0 | 109.7 | L17 L20 L37 I38 L40 I57 F100 | L17-L49 HydrophobicContact CD1-CD1 4.35Å; L17-L49 HydrophobicContact CD2-CD1 3.68Å; L20-L49 HydrophobicContact CD1-CB 4.48Å; L20-L49 HydrophobicContact CD1-CD1 4.22Å; L37-L49 CarbonylContact C-O 3.57Å; L37-L49 VanDerWaalsContact CA-O 3.31Å; L37-L49 WeakPolarHBondContact CA-O 3.4Å; I38-L49 HydrophobicContact CB-CB 4.34Å; I38-L49 PolarHBondContact N-O 2.65Å; I38-L49 PolarHBondContact O-N 3.48Å; L40-L49 HydrophobicContact CD1-CB 4.26Å; L49-I57 HydrophobicContact CD1-CG2 3.75Å; L49-F100 HydrophobicContact CD2-CD1 4.2Å; L49-F100 HydrophobicContact CD2-CE1 3.64Å; L49-F100 HydrophobicContact CD2-CZ 3.94Å |
| 50 | L | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133.1 | 176.5 | -173.9 | 149.4 | 0 | 0 | 0 | 109.8 | I31 T35 Y36 L37 M48 I57 H58 T60 W64 | I31-L50 HydrophobicContact CD1-CD1 3.91Å; T35-L50 HydrophobicContact CG2-CD1 4.23Å; T35-L50 HydrophobicContact CG2-CD2 3.97Å; T35-L50 HydrophobicContact CG2-CG 4.02Å; Y36-L50 WeakPolarHBondContact O-CA 3.44Å; L37-L50 HydrophobicContact CD1-CB 3.72Å; L37-L50 HydrophobicContact CD1-CD1 4.21Å; L37-L50 HydrophobicContact CD1-CG 4.27Å; M48-L50 PolarHBondContact O-N 3.24Å; L50-I57 CarbonylContact O-C 3.59Å; L50-I57 WeakPolarHBondContact O-CA 3.3Å; L50-H58 WeakPolarHBondContact CA-O 3.3Å; L50-H58 PolarHBondContact N-O 3.28Å; L50-H58 PolarHBondContact O-N 3.34Å; L50-H58 VanDerWaalsContact O-O 3.05Å; L50-T60 HydrophobicContact CB-CG2 4.22Å; L50-T60 HydrophobicContact CD1-CG2 4.28Å; L50-W64 HydrophobicContact CD1-CD2 3.85Å; L50-W64 HydrophobicContact CD1-CE3 4.49Å; L50-W64 HydrophobicContact CD1-CG 4.12Å; L50-W64 HydrophobicContact CD1-CZ2 4.02Å |
| 51 | F | 94.1 | Very high | 90 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 136.4 | 167.6 | 55 | -92.5 | 0 | 0 | 0 | 111.2 | T35 Y36 I38 R56 I57 V113 V121 | T35-F51 WeakPolarHBondContact CA-O 3.35Å; Y36-F51 VanDerWaalsContact CB-CE2 3.45Å; Y36-F51 VanDerWaalsContact CB-CZ 3.45Å; Y36-F51 HydrophobicContact CD2-CD2 4.28Å; Y36-F51 AromaticContact CD2-CE2 3.68Å; Y36-F51 HydrophobicContact CD2-CE2 3.68Å; Y36-F51 HydrophobicContact CD2-CZ 4.41Å; Y36-F51 AromaticContact CG-CE2 3.86Å; Y36-F51 HydrophobicContact CG-CE2 3.86Å; Y36-F51 HydrophobicContact CG-CZ 4.14Å; Y36-F51 PolarHBondContact N-O 3.25Å; Y36-F51 PolarHBondContact O-N 2.8Å; I38-F51 HydrophobicContact CD1-CE1 3.7Å; I38-F51 HydrophobicContact CD1-CZ 4.37Å; I38-F51 HydrophobicContact CG1-CE1 3.89Å; F51-R56 WeakPolarHBondContact CA-O 3.38Å; F51-I57 HydrophobicContact CB-CB 4.38Å; F51-I57 HydrophobicContact CB-CD1 4.45Å; F51-I57 HydrophobicContact CB-CG1 3.85Å; F51-I57 HydrophobicContact CB-CG2 4.21Å; F51-V113 HydrophobicContact CB-CG1 4.23Å; F51-V113 HydrophobicContact CD2-CG1 4.25Å; F51-V113 HydrophobicContact CD2-CG2 4.13Å; F51-V113 HydrophobicContact CE2-CG2 4.43Å; F51-V113 HydrophobicContact CG-CG1 4.49Å; F51-V113 HydrophobicContact CG-CG2 4.26Å; F51-V121 HydrophobicContact CD2-CG2 4.1Å; F51-V121 HydrophobicContact CE2-CB 4.48Å; F51-V121 HydrophobicContact CE2-CG1 3.8Å; F51-V121 HydrophobicContact CE2-CG2 3.87Å; F51-V121 HydrophobicContact CZ-CG1 4.4Å |
| 52 | E | 92 | Very high | 89.2 | Confident | 32 Ų | 32 | 39.5 Ų | 39.5 | 15% | 0.15 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 118.4 | 174.3 | -175.4 | -176.4 | 166.2 | 0 | 0 | 108.3 | R34 T35 G54 V55 R56 | R34-E52 WeakPolarHBondContact O-CA 3.48Å; T35-E52 HydrophobicContact CG2-CB 4.35Å; E52-G54 PolarHBondContact O-N 3.33Å; E52-G54 VanDerWaalsContact O-N 3.15Å; E52-V55 HydrophobicContact CB-CB 4.07Å; E52-V55 HydrophobicContact CB-CG1 4.48Å; E52-V55 HydrophobicContact CG-CB 3.88Å; E52-V55 HydrophobicContact CG-CG1 4.4Å; E52-V55 HydrophobicContact CG-CG2 4.17Å; E52-V55 PolarHBondContact O-N 2.87Å; E52-V55 WeakPolarHBondContact OE2-CG1 3.37Å; E52-R56 HydrophobicContact CB-CG 4.02Å; E52-R56 PolarHBondContact N-O 3.42Å; E52-R56 PolarHBondContact O-N 3.18Å; E52-R56 IonicContact OE2-CZ 2.72Å; E52-R56 IonicContact OE2-NE 2.7Å; E52-R56 IonicContact OE2-NH1 2.66Å; E52-R56 PolarHBondContact OE2-NH1 3.49Å; E52-R56 VanDerWaalsContact OE2-NH1 3.15Å |
| 53 | S | 91.7 | Very high | 88.4 | Confident | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.028 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 118.8 | -178.4 | -172.7 | 0 | 0 | 0 | 0 | 111.1 | R34 G119 N120 R135 | R34-S53 WeakPolarHBondContact O-CB 3.38Å; R34-S53 PolarHBondContact O-N 3.44Å; S53-G119 PolarHBondContact OG-O 3.44Å; S53-N120 VanDerWaalsContact OG-CA 3.29Å; S53-N120 WeakPolarHBondContact OG-CA 3.45Å; S53-N120 PolarHBondContact OG-N 3.48Å; S53-R135 PolarHBondContact OG-NH2 3.47Å |
| 54 | G | 89.7 | Confident | 88 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 2.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | E52 E114 | E52-G54 PolarHBondContact O-N 3.33Å; E52-G54 VanDerWaalsContact O-N 3.15Å; G54-E114 WeakPolarHBondContact CA-O 3.07Å; G54-E114 PolarHBondContact N-O 3.38Å |
| 55 | V | 91.4 | Very high | 88 | Confident | 21 Ų | 21 | 37.2 Ų | 37.2 | 13% | 0.127 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | -66.3 | -167.4 | 171.3 | 0 | 0 | 0 | 0 | 113 | S3 R4 F5 E52 F299 | S3-V55 WeakPolarHBondContact O-CG1 3.41Å; R4-V55 HydrophobicContact CG-CG2 4.48Å; F5-V55 PolarHBondContact N-O 3.21Å; E52-V55 HydrophobicContact CB-CB 4.07Å; E52-V55 HydrophobicContact CB-CG1 4.48Å; E52-V55 HydrophobicContact CG-CB 3.88Å; E52-V55 HydrophobicContact CG-CG1 4.4Å; E52-V55 HydrophobicContact CG-CG2 4.17Å; E52-V55 PolarHBondContact O-N 2.87Å; E52-V55 WeakPolarHBondContact OE2-CG1 3.37Å; V55-F299 HydrophobicContact CG1-CE1 4.23Å; V55-F299 HydrophobicContact CG1-CZ 4.24Å |
| 56 | R | 92.9 | Very high | 88.1 | Confident | 13 Ų | 13 | 35 Ų | 35 | 5% | 0.049 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 163 | -167.1 | 74 | -167.5 | -169.1 | -151.3 | 25.2 | 113.1 | F5 F51 E52 H58 F299 | F5-R56 HydrophobicContact CD1-CB 4.02Å; F5-R56 HydrophobicContact CE1-CB 3.64Å; F5-R56 HydrophobicContact CE2-CB 4.32Å; F5-R56 HydrophobicContact CZ-CB 3.81Å; F51-R56 WeakPolarHBondContact CA-O 3.38Å; E52-R56 HydrophobicContact CB-CG 4.02Å; E52-R56 PolarHBondContact N-O 3.42Å; E52-R56 PolarHBondContact O-N 3.18Å; E52-R56 IonicContact OE2-CZ 2.72Å; E52-R56 IonicContact OE2-NE 2.7Å; E52-R56 IonicContact OE2-NH1 2.66Å; E52-R56 PolarHBondContact OE2-NH1 3.49Å; E52-R56 VanDerWaalsContact OE2-NH1 3.15Å; R56-H58 PolarHBondContact NE-CE1 3.43Å; R56-F299 HydrophobicContact CB-CE2 4Å; R56-F299 HydrophobicContact CB-CZ 4.11Å; R56-F299 VanDerWaalsContact CD-CD2 3.4Å; R56-F299 VanDerWaalsContact CD-CE2 3.46Å; R56-F299 VanDerWaalsContact CD-CG 3.47Å; R56-F299 HydrophobicContact CG-CE2 4.34Å; R56-F299 HydrophobicContact CG-CZ 4.42Å; R56-F299 VanDerWaalsContact CZ-CB 3.49Å; R56-F299 VanDerWaalsContact NH1-CG 3.31Å |
| 57 | I | 95.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 140.5 | 166.9 | -51.2 | -177.3 | 0 | 0 | 0 | 107.3 | F5 I13 L17 L49 L50 F51 V98 F100 V113 L115 | F5-I57 VanDerWaalsContact CE2-O 3.23Å; F5-I57 WeakPolarHBondContact CE2-O 3.34Å; F5-I57 VanDerWaalsContact CZ-O 3.28Å; F5-I57 WeakPolarHBondContact CZ-O 3.46Å; I13-I57 VanDerWaalsContact CG1-O 3.32Å; I13-I57 WeakPolarHBondContact CG1-O 3.26Å; L17-I57 HydrophobicContact CD1-CG2 3.85Å; L49-I57 HydrophobicContact CD1-CG2 3.75Å; L50-I57 CarbonylContact O-C 3.59Å; L50-I57 WeakPolarHBondContact O-CA 3.3Å; F51-I57 HydrophobicContact CB-CB 4.38Å; F51-I57 HydrophobicContact CB-CD1 4.45Å; F51-I57 HydrophobicContact CB-CG1 3.85Å; F51-I57 HydrophobicContact CB-CG2 4.21Å; I57-V98 HydrophobicContact CD1-CB 3.86Å; I57-V98 HydrophobicContact CD1-CG1 4.41Å; I57-V98 HydrophobicContact CD1-CG2 3.81Å; I57-F100 HydrophobicContact CD1-CE2 4.16Å; I57-F100 HydrophobicContact CD1-CZ 4.43Å; I57-F100 HydrophobicContact CG2-CZ 4.16Å; I57-V113 HydrophobicContact CD1-CB 3.84Å; I57-V113 HydrophobicContact CD1-CG1 3.74Å; I57-V113 HydrophobicContact CD1-CG2 4.33Å; I57-V113 HydrophobicContact CG1-CG1 4.21Å; I57-L115 HydrophobicContact CD1-CD1 3.79Å; I57-L115 HydrophobicContact CD1-CD2 4.01Å; I57-L115 HydrophobicContact CD1-CG 4.21Å; I57-L115 HydrophobicContact CG1-CD1 3.85Å; I57-L115 HydrophobicContact CG1-CD2 3.66Å; I57-L115 HydrophobicContact CG1-CG 4.27Å |
| 58 | H | 94.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | 165.2 | 171.1 | 53.8 | -92.4 | 0 | 0 | 0 | 110.3 | I13 L50 R56 N292 V295 D296 | I13-H58 HydrophobicContact CD1-CB 4.17Å; L50-H58 WeakPolarHBondContact CA-O 3.3Å; L50-H58 PolarHBondContact N-O 3.28Å; L50-H58 PolarHBondContact O-N 3.34Å; L50-H58 VanDerWaalsContact O-O 3.05Å; R56-H58 PolarHBondContact NE-CE1 3.43Å; H58-N292 WeakPolarHBondContact CA-OD1 3.41Å; H58-N292 VanDerWaalsContact CB-OD1 3.28Å; H58-N292 WeakPolarHBondContact CB-OD1 3.36Å; H58-V295 HydrophobicContact CB-CB 4.32Å; H58-V295 HydrophobicContact CB-CG1 3.81Å; H58-V295 VanDerWaalsContact ND1-CG1 3.28Å; H58-V295 WeakPolarHBondContact ND1-CG1 3.42Å; H58-D296 IonicContact CD2-OD1 3.05Å; H58-D296 IonicContact NE2-OD1 3.9Å |
| 59 | T | 93.5 | Very high | 86.2 | Confident | 26 Ų | 26 | 44.9 Ų | 44.9 | 16% | 0.16 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 142 | 163.6 | 68.8 | 0 | 0 | 0 | 0 | 109.7 | L17 L20 M48 N292 | L17-T59 HydrophobicContact CD2-CG2 3.91Å; L20-T59 HydrophobicContact CD1-CG2 3.82Å; L20-T59 HydrophobicContact CD2-CG2 4.08Å; L20-T59 HydrophobicContact CG-CG2 4.38Å; M48-T59 CarbonylContact O-C 3.53Å; M48-T59 VanDerWaalsContact O-CA 3.23Å; M48-T59 WeakPolarHBondContact O-CA 3.23Å; T59-N292 PolarHBondContact N-OD1 2.96Å; T59-N292 PolarHBondContact OG1-ND2 3.38Å; T59-N292 PolarHBondContact OG1-OD1 3.4Å |
| 60 | T | 88.5 | Confident | 85.7 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | trans | -118.2 | 134 | -178.6 | -169.3 | 0 | 0 | 0 | 0 | 112.5 | L37 M48 L50 F62 W64 D296 | L37-T60 HydrophobicContact CD1-CG2 3.82Å; M48-T60 HydrophobicContact CB-CG2 4.07Å; M48-T60 PolarHBondContact O-N 3.1Å; L50-T60 HydrophobicContact CB-CG2 4.22Å; L50-T60 HydrophobicContact CD1-CG2 4.28Å; T60-F62 PolarHBondContact OG1-N 3.25Å; T60-W64 PolarHBondContact OG1-NE1 3.48Å; T60-D296 WeakPolarHBondContact CA-OD1 2.99Å; T60-D296 WeakPolarHBondContact CA-OD2 3.48Å; T60-D296 WeakPolarHBondContact CB-OD1 3.29Å; T60-D296 PolarHBondContact OG1-OD1 2.72Å | ||
| 61 | E | 84.4 | Confident | 85.5 | Confident | 150 Ų | 150 | 48.4 Ų | 48.4 | 70% | 0.701 | 27% | 0.267 | S | S | * | . | trans | -91.3 | -13.2 | 169.1 | -63.2 | -173.7 | 167.8 | 0 | 0 | 112 | D296 | E61-D296 PolarHBondContact N-OD2 2.88Š| ||
| 62 | F | 76.7 | Confident | 85.3 | Confident | 33 Ų | 33 | 53.2 Ų | 53.2 | 15% | 0.145 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -79.9 | 146.5 | 180 | -61.8 | -96.4 | 0 | 0 | 0 | 111.4 | T60 W64 D296 S300 K501 | T60-F62 PolarHBondContact OG1-N 3.25Å; F62-W64 PolarHBondContact O-N 3.34Å; F62-D296 WeakPolarHBondContact CD2-OD1 3.38Å; F62-D296 VanDerWaalsContact CD2-OD2 3.22Å; F62-D296 WeakPolarHBondContact CD2-OD2 3.33Å; F62-D296 WeakPolarHBondContact CE2-OD2 3.46Å; F62-S300 VanDerWaalsContact CE2-OG 3.29Å; F62-S300 WeakPolarHBondContact CE2-OG 3.5Å; F62-S300 WeakPolarHBondContact CZ-OG 3.39Å; F62-K501 HydrophobicContact CD1-CB 4.44Å; F62-K501 HydrophobicContact CD1-CG 3.93Å; F62-K501 HydrophobicContact CE1-CB 4.02Å; F62-K501 HydrophobicContact CE1-CD 3.8Å; F62-K501 HydrophobicContact CE1-CG 3.55Å; F62-K501 HydrophobicContact CZ-CD 4.08Å; F62-K501 HydrophobicContact CZ-CG 4.31Å |
| 63 | G | 70.5 | Confident | 85.3 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 42% | 0.423 | 30% | 0.295 | S | S | . | . | trans | -83.6 | 113.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | I502 | G63-I502 WeakPolarHBondContact O-CD1 3.18Š| ||
| 64 | W | 77.1 | Confident | 85.3 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | trans | -92.1 | 141 | 176.3 | -62.8 | 80.8 | 0 | 0 | 0 | 111.3 | I31 L50 T60 F62 K66 | I31-W64 HydrophobicContact CD1-CB 3.43Å; I31-W64 VanDerWaalsContact CD1-CB 3.43Å; I31-W64 HydrophobicContact CD1-CD2 3.97Å; I31-W64 HydrophobicContact CD1-CE3 4.08Å; I31-W64 HydrophobicContact CD1-CG 3.71Å; I31-W64 HydrophobicContact CG1-CB 3.95Å; L50-W64 HydrophobicContact CD1-CD2 3.85Å; L50-W64 HydrophobicContact CD1-CE3 4.49Å; L50-W64 HydrophobicContact CD1-CG 4.12Å; L50-W64 HydrophobicContact CD1-CZ2 4.02Å; T60-W64 PolarHBondContact OG1-NE1 3.48Å; F62-W64 PolarHBondContact O-N 3.34Å; W64-K66 PolarHBondContact O-N 2.81Å | ||
| 65 | S | 74.1 | Confident | 85.4 | Confident | 100 Ų | 100 | 56.5 Ų | 56.5 | 70% | 0.699 | 32% | 0.316 | S | S | * | . | trans | -69.3 | 113.5 | 173.4 | 55.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 66 | K | 82.6 | Confident | 85.5 | Confident | 84 Ų | 84 | 59.4 Ų | 59.4 | 37% | 0.365 | 33% | 0.326 | S | S | . | . | trans | -90.7 | 146.9 | -177 | -59.1 | 164.8 | -172.7 | -173.1 | 0 | 110.1 | Y29 W64 I68 | Y29-K66 HydrophobicContact CD1-CD 3.73Å; Y29-K66 HydrophobicContact CD1-CG 4.47Å; Y29-K66 HydrophobicContact CD2-CD 4.24Å; Y29-K66 HydrophobicContact CE1-CD 4.13Å; Y29-K66 HydrophobicContact CG-CD 3.78Å; Y29-K66 HydrophobicContact CG-CG 4.35Å; W64-K66 PolarHBondContact O-N 2.81Å; K66-I68 PolarHBondContact O-N 2.79Å | ||
| 67 | N | 75.4 | Confident | 85.6 | Confident | 72 Ų | 72 | 58.8 Ų | 58.8 | 39% | 0.385 | 32% | 0.324 | S | S | . | . | trans | -64.4 | 135.7 | 169.4 | -70.7 | -36.5 | 0 | 0 | 0 | 110.3 | D30 I31 L69 | D30-N67 PolarHBondContact O-N 2.84Å; D30-N67 PolarHBondContact O-ND2 3.4Å; I31-N67 PolarHBondContact O-ND2 3.14Å; I31-N67 VanDerWaalsContact O-ND2 3.14Å; I31-N67 PolarHBondContact O-OD1 3.02Å; N67-L69 VanDerWaalsContact C-N 3.32Å | ||
| 68 | I | 77.1 | Confident | 85.5 | Confident | 170 Ų | 170 | 61.4 Ų | 61.4 | 87% | 0.872 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -67.8 | -39.6 | 178.2 | -58.8 | 170.4 | 0 | 0 | 0 | 109.6 | K66 | K66-I68 PolarHBondContact O-N 2.79Š|
| 69 | L | 80 | Confident | 85.5 | Confident | 147 Ų | 147 | 69.6 Ų | 69.6 | 77% | 0.77 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -102.2 | 116.4 | 177.1 | -73.3 | 146.3 | 0 | 0 | 0 | 108.8 | N67 | N67-L69 VanDerWaalsContact C-N 3.32Š|
| 70 | P | 85.5 | Confident | 85.5 | Confident | 40 Ų | 40 | 70.4 Ų | 70.4 | 26% | 0.26 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 138.1 | 179.6 | 29.5 | -35.3 | 0 | 0 | 0 | 111 | M75 | P70-M75 HydrophobicContact CB-CG 4.07Å; P70-M75 HydrophobicContact CB-SD 4.13Å; P70-M75 HydrophobicContact CG-CG 3.82Å; P70-M75 HydrophobicContact CG-SD 3.53Å; P70-M75 VanDerWaalsContact CG-SD 3.53Å |
| 71 | S | 89.3 | Confident | 85.9 | Confident | 35 Ų | 35 | 70 Ų | 70 | 25% | 0.245 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 156.9 | 170.7 | 55 | 0 | 0 | 0 | 0 | 112.3 | D30 F73 S74 M75 | D30-S71 WeakPolarHBondContact OD2-CA 3.27Å; D30-S71 WeakPolarHBondContact OD2-CB 3.23Å; D30-S71 PolarHBondContact OD2-N 2.94Å; D30-S71 PolarHBondContact OD2-OG 3.25Å; S71-F73 PolarHBondContact O-N 2.96Å; S71-S74 WeakPolarHBondContact O-CB 3.39Å; S71-S74 PolarHBondContact O-N 3.05Å; S71-S74 PolarHBondContact OG-N 3.35Å; S71-M75 PolarHBondContact O-N 3.28Å |
| 72 | S | 89.7 | Confident | 86.3 | Confident | 102 Ų | 102 | 69.6 Ų | 69.6 | 71% | 0.713 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -54.9 | -37.1 | 175.2 | 60.3 | 0 | 0 | 0 | 0 | 112.2 | M75 K76 | S72-M75 PolarHBondContact O-N 3.5Å; S72-K76 PolarHBondContact O-N 2.97Å |
| 73 | F | 91.8 | Very high | 87 | Confident | 8 Ų | 8 | 73.7 Ų | 73.7 | 4% | 0.035 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.5 | -47.4 | 174.6 | -169.2 | -94.9 | 0 | 0 | 0 | 111.8 | Y36 S71 M75 K76 L77 V121 N132 L134 | Y36-F73 HydrophobicContact CD1-CD1 4.43Å; Y36-F73 AromaticContact CE1-CD1 3.69Å; Y36-F73 HydrophobicContact CE1-CD1 3.69Å; Y36-F73 HydrophobicContact CE1-CE1 4.47Å; Y36-F73 HydrophobicContact CE2-CD1 4.06Å; Y36-F73 HydrophobicContact CE2-CE1 4.29Å; Y36-F73 AromaticContact CZ-CD1 3.49Å; Y36-F73 VanDerWaalsContact CZ-CD1 3.49Å; S71-F73 PolarHBondContact O-N 2.96Å; F73-M75 VanDerWaalsContact C-N 3.27Å; F73-M75 PolarHBondContact O-N 2.84Å; F73-K76 PolarHBondContact O-N 3.24Å; F73-L77 HydrophobicContact CD1-CD1 3.91Å; F73-L77 HydrophobicContact CD1-CG 4.2Å; F73-L77 HydrophobicContact CE1-CD1 3.62Å; F73-L77 HydrophobicContact CE1-CD2 4.23Å; F73-L77 HydrophobicContact CE1-CG 3.94Å; F73-L77 HydrophobicContact CZ-CD2 4.41Å; F73-L77 PolarHBondContact O-N 3.21Å; F73-V121 HydrophobicContact CE1-CB 3.95Å; F73-V121 HydrophobicContact CE1-CG1 3.76Å; F73-V121 HydrophobicContact CZ-CB 3.75Å; F73-V121 HydrophobicContact CZ-CG1 3.66Å; F73-V121 WeakPolarHBondContact CZ-O 3.44Å; F73-N132 HydrophobicContact CD2-CB 4.45Å; F73-N132 WeakPolarHBondContact CD2-ND2 3.47Å; F73-N132 HydrophobicContact CE2-CB 4.21Å; F73-L134 HydrophobicContact CB-CD1 4.43Å; F73-L134 HydrophobicContact CD1-CD1 4.33Å; F73-L134 HydrophobicContact CD2-CB 4.29Å; F73-L134 HydrophobicContact CD2-CD1 4.4Å; F73-L134 HydrophobicContact CE2-CB 4.07Å; F73-L134 HydrophobicContact CG-CD1 4.13Å; F73-L134 HydrophobicContact CZ-CB 4.24Å |
| 74 | S | 91.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.7 | -37.6 | 174.8 | -178.2 | 0 | 0 | 0 | 0 | 112 | V28 S71 L77 R78 | V28-S74 PolarHBondContact O-OG 3.47Å; S71-S74 WeakPolarHBondContact O-CB 3.39Å; S71-S74 PolarHBondContact O-N 3.05Å; S71-S74 PolarHBondContact OG-N 3.35Å; S74-L77 PolarHBondContact O-N 3.05Å; S74-R78 WeakPolarHBondContact O-CG 3.35Å; S74-R78 PolarHBondContact O-N 3.37Å |
| 75 | M | 92.6 | Very high | 88.9 | Confident | 98 Ų | 98 | 78.1 Ų | 78.1 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 176.6 | -76.3 | -62.8 | -69.2 | 0 | 0 | 112.3 | P70 S71 S72 F73 R78 K79 | P70-M75 HydrophobicContact CB-CG 4.07Å; P70-M75 HydrophobicContact CB-SD 4.13Å; P70-M75 HydrophobicContact CG-CG 3.82Å; P70-M75 HydrophobicContact CG-SD 3.53Å; P70-M75 VanDerWaalsContact CG-SD 3.53Å; S71-M75 PolarHBondContact O-N 3.28Å; S72-M75 PolarHBondContact O-N 3.5Å; F73-M75 VanDerWaalsContact C-N 3.27Å; F73-M75 PolarHBondContact O-N 2.84Å; M75-R78 PolarHBondContact O-N 3.44Å; M75-K79 PolarHBondContact O-N 2.66Å |
| 76 | K | 92.9 | Very high | 90 | Very high | 82 Ų | 82 | 73.4 Ų | 73.4 | 36% | 0.357 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 173 | -68.5 | -140.2 | -158.9 | 158.3 | 0 | 111.9 | S72 F73 R78 K79 H80 L131 N132 | S72-K76 PolarHBondContact O-N 2.97Å; F73-K76 PolarHBondContact O-N 3.24Å; K76-R78 VanDerWaalsContact C-N 3.32Å; K76-R78 PolarHBondContact O-N 2.93Å; K76-K79 WeakPolarHBondContact O-CB 3.25Å; K76-K79 PolarHBondContact O-N 3.43Å; K76-H80 PolarHBondContact O-CD2 3.41Å; K76-H80 VanDerWaalsContact O-CD2 3.29Å; K76-H80 PolarHBondContact O-N 3.17Å; K76-L131 PolarHBondContact NZ-O 3.45Å; K76-N132 HydrophobicContact CB-CB 4.47Å; K76-N132 HydrophobicContact CD-CB 3.85Å; K76-N132 VanDerWaalsContact CD-CG 3.47Å; K76-N132 WeakPolarHBondContact CD-ND2 3.41Å; K76-N132 WeakPolarHBondContact CE-OD1 3.41Å; K76-N132 PolarHBondContact NZ-OD1 3.41Å |
| 77 | L | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.5 | -44.7 | 174 | -68 | 178.5 | 0 | 0 | 0 | 111.3 | V28 Y36 F73 S74 K79 H80 L81 V111 L123 | V28-L77 HydrophobicContact CB-CB 4.46Å; V28-L77 HydrophobicContact CG1-CB 4.08Å; V28-L77 HydrophobicContact CG1-CD1 3.9Å; V28-L77 HydrophobicContact CG2-CB 4.32Å; Y36-L77 HydrophobicContact CD1-CD1 4.47Å; F73-L77 HydrophobicContact CD1-CD1 3.91Å; F73-L77 HydrophobicContact CD1-CG 4.2Å; F73-L77 HydrophobicContact CE1-CD1 3.62Å; F73-L77 HydrophobicContact CE1-CD2 4.23Å; F73-L77 HydrophobicContact CE1-CG 3.94Å; F73-L77 HydrophobicContact CZ-CD2 4.41Å; F73-L77 PolarHBondContact O-N 3.21Å; S74-L77 PolarHBondContact O-N 3.05Å; L77-K79 VanDerWaalsContact C-N 3.32Å; L77-K79 PolarHBondContact O-N 2.94Å; L77-H80 PolarHBondContact O-N 3.47Å; L77-L81 HydrophobicContact CB-CD1 4.16Å; L77-L81 HydrophobicContact CD2-CD1 3.88Å; L77-L81 VanDerWaalsContact O-CB 3.23Å; L77-L81 WeakPolarHBondContact O-CB 2.79Å; L77-L81 VanDerWaalsContact O-CG 3.29Å; L77-L81 WeakPolarHBondContact O-CG 3.43Å; L77-L81 PolarHBondContact O-N 2.94Å; L77-V111 HydrophobicContact CD2-CG2 4.21Å; L77-L123 HydrophobicContact CD2-CB 4.25Å; L77-L123 HydrophobicContact CD2-CD1 4.12Å; L77-L123 HydrophobicContact CD2-CD2 4.29Å; L77-L123 HydrophobicContact CD2-CG 4.45Å |
| 78 | R | 94.4 | Very high | 91.4 | Very high | 56 Ų | 56 | 70.9 Ų | 70.9 | 21% | 0.211 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 175.8 | -72.6 | 177.1 | -173.1 | -178.1 | 2.8 | 112.3 | N27 V28 S74 M75 K76 H80 R82 | N27-R78 PolarHBondContact OD1-NE 3.22Å; N27-R78 VanDerWaalsContact OD1-NE 3.15Å; V28-R78 HydrophobicContact CB-CG 4Å; V28-R78 HydrophobicContact CG2-CG 4.46Å; V28-R78 PolarHBondContact O-NE 3.03Å; V28-R78 PolarHBondContact O-NH2 3.38Å; S74-R78 WeakPolarHBondContact O-CG 3.35Å; S74-R78 PolarHBondContact O-N 3.37Å; M75-R78 PolarHBondContact O-N 3.44Å; K76-R78 VanDerWaalsContact C-N 3.32Å; K76-R78 PolarHBondContact O-N 2.93Å; R78-H80 VanDerWaalsContact C-N 3.33Å; R78-H80 PolarHBondContact O-N 3.06Å; R78-R82 WeakPolarHBondContact O-CB 3.46Å; R78-R82 PolarHBondContact O-N 3.48Å |
| 79 | K | 94.3 | Very high | 92.3 | Very high | 172 Ų | 172 | 63 Ų | 63 | 75% | 0.748 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61 | -40.2 | 179.7 | -175.8 | -179.9 | 178.4 | 179.3 | 0 | 112.3 | M75 K76 L77 | M75-K79 PolarHBondContact O-N 2.66Å; K76-K79 WeakPolarHBondContact O-CB 3.25Å; K76-K79 PolarHBondContact O-N 3.43Å; L77-K79 VanDerWaalsContact C-N 3.32Å; L77-K79 PolarHBondContact O-N 2.94Å |
| 80 | H | 93.5 | Very high | 92.9 | Very high | 42 Ų | 42 | 61.2 Ų | 61.2 | 19% | 0.194 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -95.8 | -30.1 | -173.7 | -70.2 | -78.2 | 0 | 0 | 0 | 114.2 | K76 L77 R78 F109 L123 | K76-H80 PolarHBondContact O-CD2 3.41Å; K76-H80 VanDerWaalsContact O-CD2 3.29Å; K76-H80 PolarHBondContact O-N 3.17Å; L77-H80 PolarHBondContact O-N 3.47Å; R78-H80 VanDerWaalsContact C-N 3.33Å; R78-H80 PolarHBondContact O-N 3.06Å; H80-F109 HydrophobicContact CB-CD1 4.16Å; H80-F109 HydrophobicContact CB-CD2 4.28Å; H80-F109 HydrophobicContact CB-CE1 4.29Å; H80-F109 HydrophobicContact CB-CE2 4.39Å; H80-F109 HydrophobicContact CB-CG 4.16Å; H80-F109 HydrophobicContact CB-CZ 4.41Å; H80-F109 AromaticContact ND1-CD1 3.88Å; H80-F109 AromaticContact ND1-CE1 3.23Å; H80-F109 WeakPolarHBondContact ND1-CE1 3.49Å; H80-F109 AromaticContact ND1-CZ 3.4Å; H80-F109 WeakPolarHBondContact ND1-CZ 3.32Å; H80-F109 WeakPolarHBondContact O-CD2 3.38Å; H80-L123 HydrophobicContact CB-CD1 4.47Å; H80-L123 HydrophobicContact CB-CD2 4.15Å |
| 81 | L | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -103 | -23.3 | -170.4 | -53.6 | -179.5 | 0 | 0 | 0 | 114.2 | V25 L77 Q83 K84 F102 F109 V111 L123 | V25-L81 VanDerWaalsContact CB-O 3.32Å; V25-L81 WeakPolarHBondContact CB-O 3.21Å; V25-L81 HydrophobicContact CG1-CB 4.36Å; V25-L81 HydrophobicContact CG2-CB 4.49Å; L77-L81 HydrophobicContact CB-CD1 4.16Å; L77-L81 HydrophobicContact CD2-CD1 3.88Å; L77-L81 VanDerWaalsContact O-CB 3.23Å; L77-L81 WeakPolarHBondContact O-CB 2.79Å; L77-L81 VanDerWaalsContact O-CG 3.29Å; L77-L81 WeakPolarHBondContact O-CG 3.43Å; L77-L81 PolarHBondContact O-N 2.94Å; L81-Q83 PolarHBondContact O-N 3.5Å; L81-K84 VanDerWaalsContact O-CB 3.27Å; L81-K84 WeakPolarHBondContact O-CB 3.4Å; L81-K84 PolarHBondContact O-N 2.97Å; L81-F102 HydrophobicContact CD1-CD2 4.37Å; L81-F102 HydrophobicContact CD1-CE2 4.27Å; L81-F102 HydrophobicContact CD2-CB 3.88Å; L81-F102 HydrophobicContact CD2-CD2 3.65Å; L81-F102 HydrophobicContact CD2-CE2 4.36Å; L81-F102 HydrophobicContact CD2-CG 3.88Å; L81-F109 HydrophobicContact CD2-CB 3.99Å; L81-V111 HydrophobicContact CD1-CG2 3.57Å; L81-V111 HydrophobicContact CD2-CG2 4.1Å; L81-V111 HydrophobicContact CG-CG2 4.44Å; L81-L123 HydrophobicContact CD2-CD1 4.2Å |
| 82 | R | 93.8 | Very high | 93.1 | Very high | 143 Ų | 143 | 59.3 Ų | 59.3 | 54% | 0.54 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 135.7 | -174 | -168.5 | 177.1 | -176.3 | -170.8 | -5 | 110.8 | N26 R78 K84 | N26-R82 PolarHBondContact O-NE 3.23Å; R78-R82 WeakPolarHBondContact O-CB 3.46Å; R78-R82 PolarHBondContact O-N 3.48Å; R82-K84 PolarHBondContact O-N 3.13Å |
| 83 | Q | 91.5 | Very high | 92.6 | Very high | 118 Ų | 118 | 58.5 Ų | 58.5 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | -0.3 | -172.8 | -55.2 | -61.1 | -15.8 | 0 | 0 | 116 | V25 L81 | V25-Q83 PolarHBondContact O-N 3.44Å; L81-Q83 PolarHBondContact O-N 3.5Å |
| 84 | K | 93.7 | Very high | 91.8 | Very high | 57 Ų | 57 | 61.4 Ų | 61.4 | 25% | 0.248 | 27% | 0.272 | C | S | . | . | trans | -79.5 | 145.6 | 172.7 | -60 | -64.1 | -173.2 | -178.3 | 0 | 110.7 | R24 V25 L81 R82 F102 | R24-K84 CarbonylContact C-O 3.57Å; R24-K84 WeakPolarHBondContact CA-O 3.49Å; V25-K84 PolarHBondContact N-O 3.24Å; L81-K84 VanDerWaalsContact O-CB 3.27Å; L81-K84 WeakPolarHBondContact O-CB 3.4Å; L81-K84 PolarHBondContact O-N 2.97Å; R82-K84 PolarHBondContact O-N 3.13Å; K84-F102 HydrophobicContact CB-CB 4.07Å | ||
| 85 | R | 94.4 | Very high | 91.5 | Very high | 115 Ų | 115 | 65 Ų | 65 | 43% | 0.434 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -84.4 | 139.3 | 174.7 | 177.2 | 171.9 | 152.7 | 149.2 | 13.1 | 109.5 | M23 R24 E87 F102 G103 | M23-R85 WeakPolarHBondContact O-CA 3.48Å; R24-R85 HydrophobicContact CG-CB 4.32Å; R85-E87 WeakPolarHBondContact CD-OE1 3.49Å; R85-E87 VanDerWaalsContact CG-OE1 3.31Å; R85-E87 WeakPolarHBondContact CG-OE1 3.46Å; R85-E87 IonicContact CZ-OE2 3.28Å; R85-E87 IonicContact NE-OE1 3.07Å; R85-E87 PolarHBondContact NE-OE1 3.34Å; R85-E87 VanDerWaalsContact NE-OE1 3.09Å; R85-E87 IonicContact NE-OE2 3.17Å; R85-E87 PolarHBondContact NE-OE2 3.25Å; R85-E87 VanDerWaalsContact NE-OE2 3.07Å; R85-E87 IonicContact NH2-OE2 3.53Å; R85-E87 PolarHBondContact O-N 3.2Å; R85-F102 CarbonylContact O-C 3.46Å; R85-F102 VanDerWaalsContact O-CA 3.29Å; R85-F102 WeakPolarHBondContact O-CA 3.49Å; R85-G103 PolarHBondContact O-N 2.96Å |
| 86 | L | 96.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 115.1 | 168.8 | 178.4 | 64.6 | 0 | 0 | 0 | 108.5 | L20 G22 M23 L40 V89 F100 F102 | L20-L86 HydrophobicContact CB-CD2 3.78Å; G22-L86 PolarHBondContact N-O 3.46Å; M23-L86 PolarHBondContact O-N 2.91Å; L40-L86 HydrophobicContact CD1-CD2 4.29Å; L86-V89 HydrophobicContact CD1-CG2 4.01Å; L86-V89 HydrophobicContact CD2-CG2 3.7Å; L86-V89 HydrophobicContact CG-CG2 4.07Å; L86-F100 HydrophobicContact CD1-CB 4.11Å; L86-F100 HydrophobicContact CD1-CD1 3.97Å; L86-F102 HydrophobicContact CB-CD1 4.09Å; L86-F102 HydrophobicContact CB-CE1 3.93Å; L86-F102 HydrophobicContact CD1-CD1 4.05Å; L86-F102 HydrophobicContact CD1-CE1 3.67Å; L86-F102 HydrophobicContact CD1-CE2 4.37Å; L86-F102 HydrophobicContact CD1-CZ 3.86Å; L86-F102 HydrophobicContact CG-CE1 4.31Å |
| 87 | E | 94.3 | Very high | 91.4 | Very high | 57 Ų | 57 | 60.9 Ų | 60.9 | 27% | 0.266 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -39.5 | -177.9 | -62.3 | -59.9 | 168.5 | 0 | 0 | 112.2 | I21 R85 E101 G103 | I21-E87 WeakPolarHBondContact CG2-O 3.35Å; R85-E87 WeakPolarHBondContact CD-OE1 3.49Å; R85-E87 VanDerWaalsContact CG-OE1 3.31Å; R85-E87 WeakPolarHBondContact CG-OE1 3.46Å; R85-E87 IonicContact CZ-OE2 3.28Å; R85-E87 IonicContact NE-OE1 3.07Å; R85-E87 PolarHBondContact NE-OE1 3.34Å; R85-E87 VanDerWaalsContact NE-OE1 3.09Å; R85-E87 IonicContact NE-OE2 3.17Å; R85-E87 PolarHBondContact NE-OE2 3.25Å; R85-E87 VanDerWaalsContact NE-OE2 3.07Å; R85-E87 IonicContact NH2-OE2 3.53Å; R85-E87 PolarHBondContact O-N 3.2Å; E87-E101 PolarHBondContact N-O 2.91Å; E87-G103 WeakPolarHBondContact CG-O 3.33Å |
| 88 | V | 94.1 | Very high | 91.4 | Very high | 47 Ų | 47 | 60.9 Ų | 60.9 | 29% | 0.285 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 136.8 | -176.1 | -174.1 | 0 | 0 | 0 | 0 | 110.8 | R90 E101 | V88-R90 HydrophobicContact CG1-CB 4.29Å; V88-R90 HydrophobicContact CG1-CG 4.21Å; V88-E101 HydrophobicContact CB-CB 3.77Å; V88-E101 HydrophobicContact CG2-CB 4.28Å; V88-E101 PolarHBondContact O-N 2.78Å |
| 89 | V | 94.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 119.4 | 165.2 | -174.4 | 0 | 0 | 0 | 0 | 107.5 | V14 L17 Q18 I21 L86 V98 F100 | V14-V89 HydrophobicContact CG1-CG1 4.38Å; L17-V89 HydrophobicContact CB-CG1 4.16Å; Q18-V89 PolarHBondContact NE2-O 3.36Å; I21-V89 HydrophobicContact CG1-CG2 4.4Å; L86-V89 HydrophobicContact CD1-CG2 4.01Å; L86-V89 HydrophobicContact CD2-CG2 3.7Å; L86-V89 HydrophobicContact CG-CG2 4.07Å; V89-V98 HydrophobicContact CG1-CG1 4.12Å; V89-F100 HydrophobicContact CB-CD1 4.47Å; V89-F100 HydrophobicContact CB-CE1 4.48Å; V89-F100 HydrophobicContact CG1-CD1 4.07Å; V89-F100 HydrophobicContact CG1-CE1 3.71Å; V89-F100 HydrophobicContact CG1-CZ 4.28Å; V89-F100 HydrophobicContact CG2-CD1 3.83Å; V89-F100 HydrophobicContact CG2-CE1 3.97Å |
| 90 | R | 92.7 | Very high | 91.5 | Very high | 109 Ų | 109 | 50.2 Ų | 50.2 | 41% | 0.411 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 157.2 | 179.7 | 65.6 | -177.1 | 177.7 | -175.6 | -1.6 | 112.3 | V88 V98 D99 Y128 | V88-R90 HydrophobicContact CG1-CB 4.29Å; V88-R90 HydrophobicContact CG1-CG 4.21Å; R90-V98 WeakPolarHBondContact O-CA 3.43Å; R90-D99 HydrophobicContact CG-CB 4.01Å; R90-D99 IonicContact CZ-OD2 2.9Å; R90-D99 PolarHBondContact N-O 3.48Å; R90-D99 IonicContact NE-OD2 3.54Å; R90-D99 PolarHBondContact NE-OD2 3.33Å; R90-D99 IonicContact NH2-OD2 3.54Å; R90-D99 PolarHBondContact NH2-OD2 3.2Å; R90-D99 VanDerWaalsContact NH2-OD2 3.08Å; R90-D99 PolarHBondContact O-N 3.29Å; R90-Y128 PolarHBondContact NH2-OH 2.99Å |
| 91 | Q | 91.1 | Very high | 91.6 | Very high | 25 Ų | 25 | 50.3 Ų | 50.3 | 12% | 0.117 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 139 | 166.9 | -176.1 | 172.4 | -7.5 | 0 | 0 | 110.3 | N7 V10 F11 D95 I97 | N7-Q91 PolarHBondContact OD1-NE2 2.94Å; V10-Q91 HydrophobicContact CG1-CB 4.4Å; V10-Q91 HydrophobicContact CG1-CG 4.01Å; F11-Q91 VanDerWaalsContact CE1-CD 3.45Å; Q91-D95 VanDerWaalsContact CG-O 3.26Å; Q91-D95 WeakPolarHBondContact CG-O 3.45Å; Q91-D95 PolarHBondContact NE2-O 3.04Å; Q91-I97 WeakPolarHBondContact CA-O 3.26Å |
| 92 | V | 88.1 | Confident | 91.7 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | trans | -82 | 121.2 | 173 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | Q94 D95 I97 D99 L112 F153 | V92-Q94 PolarHBondContact O-N 2.93Å; V92-D95 PolarHBondContact O-N 3.47Å; V92-D95 VanDerWaalsContact O-N 3.1Å; V92-I97 HydrophobicContact CB-CB 4.03Å; V92-I97 HydrophobicContact CB-CG2 4.04Å; V92-I97 HydrophobicContact CG2-CB 4.28Å; V92-I97 HydrophobicContact CG2-CG2 3.77Å; V92-I97 PolarHBondContact N-O 3.22Å; V92-D99 HydrophobicContact CG2-CB 3.75Å; V92-L112 HydrophobicContact CG2-CD2 4.1Å; V92-F153 HydrophobicContact CG1-CE1 3.6Å; V92-F153 HydrophobicContact CG1-CZ 3.55Å; V92-F153 HydrophobicContact CG2-CZ 4.26Å | ||
| 93 | D | 78.7 | Confident | 91.6 | Very high | 84 Ų | 84 | 43.7 Ų | 43.7 | 45% | 0.449 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | -126.5 | -179.4 | -57.5 | -35.1 | 0 | 0 | 0 | 112.6 | R157 | D93-R157 IonicContact OD2-NH1 3.08Š|
| 94 | Q | 76.8 | Confident | 91.6 | Very high | 70 Ų | 70 | 42.2 Ų | 42.2 | 33% | 0.327 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117 | 20.6 | 168.4 | -60.5 | -177.9 | 5 | 0 | 0 | 110.3 | N7 V92 P196 | N7-Q94 PolarHBondContact ND2-O 3.42Å; N7-Q94 PolarHBondContact OD1-O 3.13Å; V92-Q94 PolarHBondContact O-N 2.93Å; Q94-P196 VanDerWaalsContact OE1-CB 3.29Å |
| 95 | D | 84.2 | Confident | 91.3 | Very high | 76 Ų | 76 | 42.3 Ų | 42.3 | 41% | 0.406 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -92.2 | 159.9 | -177.3 | -87.6 | -25 | 0 | 0 | 0 | 111 | Q91 V92 I97 | Q91-D95 VanDerWaalsContact CG-O 3.26Å; Q91-D95 WeakPolarHBondContact CG-O 3.45Å; Q91-D95 PolarHBondContact NE2-O 3.04Å; V92-D95 PolarHBondContact O-N 3.47Å; V92-D95 VanDerWaalsContact O-N 3.1Å; D95-I97 HydrophobicContact CB-CD1 4.07Å; D95-I97 HydrophobicContact CB-CG1 4.14Å; D95-I97 PolarHBondContact O-N 3.4Å |
| 96 | R | 90.5 | Very high | 90.9 | Very high | 87 Ų | 87 | 43.5 Ų | 43.5 | 33% | 0.328 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -78.1 | 55.5 | 177.5 | -67.5 | 175.7 | -70.5 | 174.4 | -4.2 | 111.3 | F5 V10 L115 Y116 | F5-R96 VanDerWaalsContact O-CD 3.28Å; F5-R96 WeakPolarHBondContact O-CD 3.39Å; F5-R96 PolarHBondContact O-NH1 3.26Å; V10-R96 HydrophobicContact CG2-CB 4.3Å; V10-R96 HydrophobicContact CG2-CG 4.18Å; R96-L115 HydrophobicContact CB-CB 4.23Å; R96-L115 PolarHBondContact O-N 2.91Å; R96-Y116 HydrophobicContact CB-CD1 4.32Å; R96-Y116 VanDerWaalsContact CZ-CB 3.45Å; R96-Y116 VanDerWaalsContact NH2-CB 3.3Å |
| 97 | I | 92.4 | Very high | 90.6 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 125.7 | -178.4 | -56.7 | 172.4 | 0 | 0 | 0 | 107.5 | Q91 V92 D95 L112 V113 E114 Y116 | Q91-I97 WeakPolarHBondContact CA-O 3.26Å; V92-I97 HydrophobicContact CB-CB 4.03Å; V92-I97 HydrophobicContact CB-CG2 4.04Å; V92-I97 HydrophobicContact CG2-CB 4.28Å; V92-I97 HydrophobicContact CG2-CG2 3.77Å; V92-I97 PolarHBondContact N-O 3.22Å; D95-I97 HydrophobicContact CB-CD1 4.07Å; D95-I97 HydrophobicContact CB-CG1 4.14Å; D95-I97 PolarHBondContact O-N 3.4Å; I97-L112 HydrophobicContact CG2-CB 4.44Å; I97-L112 HydrophobicContact CG2-CD2 4.37Å; I97-V113 WeakPolarHBondContact CA-O 3.25Å; I97-E114 HydrophobicContact CG1-CG 4.2Å; I97-Y116 HydrophobicContact CD1-CE1 4.05Å; I97-Y116 HydrophobicContact CG1-CD1 4.45Å; I97-Y116 HydrophobicContact CG1-CE1 3.76Å |
| 98 | V | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 128.6 | 176.4 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | V10 V14 I57 V89 R90 F100 L112 V113 L115 | V10-V98 HydrophobicContact CG1-CG2 3.69Å; V14-V98 HydrophobicContact CG2-CG1 4.08Å; V14-V98 HydrophobicContact CG2-CG2 3.93Å; I57-V98 HydrophobicContact CD1-CB 3.86Å; I57-V98 HydrophobicContact CD1-CG1 4.41Å; I57-V98 HydrophobicContact CD1-CG2 3.81Å; V89-V98 HydrophobicContact CG1-CG1 4.12Å; R90-V98 WeakPolarHBondContact O-CA 3.43Å; V98-F100 HydrophobicContact CB-CE2 4.09Å; V98-F100 HydrophobicContact CG1-CD2 4.06Å; V98-F100 HydrophobicContact CG1-CE1 4.46Å; V98-F100 HydrophobicContact CG1-CE2 3.49Å; V98-F100 VanDerWaalsContact CG1-CE2 3.49Å; V98-F100 HydrophobicContact CG1-CZ 3.71Å; V98-L112 CarbonylContact O-C 3.51Å; V98-L112 WeakPolarHBondContact O-CA 3.19Å; V98-V113 PolarHBondContact N-O 3.3Å; V98-V113 PolarHBondContact O-N 2.96Å; V98-L115 HydrophobicContact CG2-CD1 4.22Å |
| 99 | D | 95.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.011 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118.4 | 177.1 | 174.1 | 23.8 | 0 | 0 | 0 | 109.3 | R90 V92 H110 L112 Y128 | R90-D99 HydrophobicContact CG-CB 4.01Å; R90-D99 IonicContact CZ-OD2 2.9Å; R90-D99 PolarHBondContact N-O 3.48Å; R90-D99 IonicContact NE-OD2 3.54Å; R90-D99 PolarHBondContact NE-OD2 3.33Å; R90-D99 IonicContact NH2-OD2 3.54Å; R90-D99 PolarHBondContact NH2-OD2 3.2Å; R90-D99 VanDerWaalsContact NH2-OD2 3.08Å; R90-D99 PolarHBondContact O-N 3.29Å; V92-D99 HydrophobicContact CG2-CB 3.75Å; D99-H110 WeakPolarHBondContact OD1-CB 3.43Å; D99-H110 IonicContact OD1-CG 3.77Å; D99-H110 IonicContact OD1-ND1 3.75Å; D99-H110 PolarHBondContact OD1-ND1 2.91Å; D99-H110 IonicContact OD2-ND1 3.09Å; D99-L112 HydrophobicContact CB-CD2 4.28Å; D99-Y128 PolarHBondContact OD2-OH 2.86Å |
| 100 | F | 96.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.013 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.6 | 172.3 | -64.7 | -91.2 | 0 | 0 | 0 | 109.7 | L17 L49 I57 L86 V89 V98 F102 H110 V111 V113 | L17-F100 HydrophobicContact CD1-CE1 4.4Å; L17-F100 HydrophobicContact CD1-CZ 4.19Å; L49-F100 HydrophobicContact CD2-CD1 4.2Å; L49-F100 HydrophobicContact CD2-CE1 3.64Å; L49-F100 HydrophobicContact CD2-CZ 3.94Å; I57-F100 HydrophobicContact CD1-CE2 4.16Å; I57-F100 HydrophobicContact CD1-CZ 4.43Å; I57-F100 HydrophobicContact CG2-CZ 4.16Å; L86-F100 HydrophobicContact CD1-CB 4.11Å; L86-F100 HydrophobicContact CD1-CD1 3.97Å; V89-F100 HydrophobicContact CB-CD1 4.47Å; V89-F100 HydrophobicContact CB-CE1 4.48Å; V89-F100 HydrophobicContact CG1-CD1 4.07Å; V89-F100 HydrophobicContact CG1-CE1 3.71Å; V89-F100 HydrophobicContact CG1-CZ 4.28Å; V89-F100 HydrophobicContact CG2-CD1 3.83Å; V89-F100 HydrophobicContact CG2-CE1 3.97Å; V98-F100 HydrophobicContact CB-CE2 4.09Å; V98-F100 HydrophobicContact CG1-CD2 4.06Å; V98-F100 HydrophobicContact CG1-CE1 4.46Å; V98-F100 HydrophobicContact CG1-CE2 3.49Å; V98-F100 VanDerWaalsContact CG1-CE2 3.49Å; V98-F100 HydrophobicContact CG1-CZ 3.71Å; F100-F102 HydrophobicContact CB-CD2 4.18Å; F100-F102 HydrophobicContact CB-CE2 3.43Å; F100-F102 VanDerWaalsContact CB-CE2 3.43Å; F100-F102 HydrophobicContact CB-CZ 3.93Å; F100-F102 HydrophobicContact CG-CE2 4.39Å; F100-H110 CarbonylContact O-C 3.59Å; F100-H110 VanDerWaalsContact O-CA 3.3Å; F100-H110 WeakPolarHBondContact O-CA 3.49Å; F100-V111 HydrophobicContact CB-CB 4.31Å; F100-V111 PolarHBondContact N-O 2.94Å; F100-V111 PolarHBondContact O-N 3Å; F100-V113 HydrophobicContact CD2-CG2 4.27Å; F100-V113 HydrophobicContact CE2-CG2 4.07Å |
| 101 | E | 95.9 | Very high | 90.9 | Very high | 43 Ų | 43 | 41.5 Ų | 41.5 | 20% | 0.201 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 120.1 | 177.9 | -169.7 | 175.3 | 142 | 0 | 0 | 110.8 | E87 V88 T108 H110 | E87-E101 PolarHBondContact N-O 2.91Å; V88-E101 HydrophobicContact CB-CB 3.77Å; V88-E101 HydrophobicContact CG2-CB 4.28Å; V88-E101 PolarHBondContact O-N 2.78Å; E101-T108 HydrophobicContact CG-CG2 3.44Å; E101-T108 VanDerWaalsContact CG-CG2 3.44Å; E101-H110 IonicContact OE2-CE1 3.43Å; E101-H110 PolarHBondContact OE2-CE1 3.36Å |
| 102 | F | 96.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.9 | 179.7 | -63.4 | -85.8 | 0 | 0 | 0 | 111.6 | V25 I38 L40 L81 K84 R85 L86 F100 T108 F109 V111 | V25-F102 HydrophobicContact CG2-CD1 3.63Å; V25-F102 HydrophobicContact CG2-CE1 3.44Å; V25-F102 VanDerWaalsContact CG2-CE1 3.44Å; V25-F102 HydrophobicContact CG2-CZ 4.4Å; I38-F102 HydrophobicContact CD1-CZ 4.17Å; L40-F102 HydrophobicContact CD2-CE1 4.44Å; L81-F102 HydrophobicContact CD1-CD2 4.37Å; L81-F102 HydrophobicContact CD1-CE2 4.27Å; L81-F102 HydrophobicContact CD2-CB 3.88Å; L81-F102 HydrophobicContact CD2-CD2 3.65Å; L81-F102 HydrophobicContact CD2-CE2 4.36Å; L81-F102 HydrophobicContact CD2-CG 3.88Å; K84-F102 HydrophobicContact CB-CB 4.07Å; R85-F102 CarbonylContact O-C 3.46Å; R85-F102 VanDerWaalsContact O-CA 3.29Å; R85-F102 WeakPolarHBondContact O-CA 3.49Å; L86-F102 HydrophobicContact CB-CD1 4.09Å; L86-F102 HydrophobicContact CB-CE1 3.93Å; L86-F102 HydrophobicContact CD1-CD1 4.05Å; L86-F102 HydrophobicContact CD1-CE1 3.67Å; L86-F102 HydrophobicContact CD1-CE2 4.37Å; L86-F102 HydrophobicContact CD1-CZ 3.86Å; L86-F102 HydrophobicContact CG-CE1 4.31Å; F100-F102 HydrophobicContact CB-CD2 4.18Å; F100-F102 HydrophobicContact CB-CE2 3.43Å; F100-F102 VanDerWaalsContact CB-CE2 3.43Å; F100-F102 HydrophobicContact CB-CZ 3.93Å; F100-F102 HydrophobicContact CG-CE2 4.39Å; F102-T108 WeakPolarHBondContact O-CA 3.36Å; F102-F109 PolarHBondContact N-O 2.9Å; F102-F109 PolarHBondContact O-N 2.89Å; F102-V111 HydrophobicContact CD2-CG2 4.04Å; F102-V111 HydrophobicContact CE2-CB 4.16Å; F102-V111 HydrophobicContact CE2-CG2 3.74Å |
| 103 | G | 92.7 | Very high | 91.4 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 86.9 | -175.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R85 E87 | R85-G103 PolarHBondContact O-N 2.96Å; E87-G103 WeakPolarHBondContact CG-O 3.33Å |
| 104 | S | 89.6 | Confident | 92.1 | Very high | 86 Ų | 86 | 35.8 Ų | 35.8 | 60% | 0.601 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -136 | 154.5 | -175.9 | 56.5 | 0 | 0 | 0 | 0 | 111.4 | E106 F107 T108 | S104-E106 PolarHBondContact O-N 3.26Å; S104-F107 PolarHBondContact O-N 2.85Å; S104-T108 WeakPolarHBondContact CA-OG1 3.32Å |
| 105 | G | 88.2 | Confident | 92.9 | Very high | 60 Ų | 60 | 32.5 Ų | 32.5 | 62% | 0.619 | 18% | 0.176 | S | C | * | . | G | 310 helix | trans | 62 | -125.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F107 T108 | G105-F107 VanDerWaalsContact C-N 3.26Å; G105-F107 PolarHBondContact O-N 3.08Å; G105-T108 PolarHBondContact N-OG1 3.08Å; G105-T108 PolarHBondContact O-OG1 3.35Å |
| 106 | E | 87.3 | Confident | 93 | Very high | 139 Ų | 139 | 31.4 Ų | 31.4 | 65% | 0.65 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -75.5 | -17.6 | -177.5 | -49.7 | -148.6 | 115.8 | 0 | 0 | 113.6 | S104 R126 | S104-E106 PolarHBondContact O-N 3.26Å; E106-R126 VanDerWaalsContact CG-NH1 3.33Å; E106-R126 IonicContact OE1-CZ 3.89Å; E106-R126 IonicContact OE1-NH1 2.89Å; E106-R126 PolarHBondContact OE1-NH1 3.04Å; E106-R126 IonicContact OE1-NH2 3.99Å |
| 107 | F | 89.8 | Confident | 92.7 | Very high | 130 Ų | 130 | 30.9 Ų | 30.9 | 57% | 0.57 | 17% | 0.17 | S | C | * | . | G | 310 helix | trans | -102.7 | 26.9 | -179 | -53.9 | -75.8 | 0 | 0 | 0 | 112.5 | S104 G105 F109 | S104-F107 PolarHBondContact O-N 2.85Å; G105-F107 VanDerWaalsContact C-N 3.26Å; G105-F107 PolarHBondContact O-N 3.08Å; F107-F109 VanDerWaalsContact O-CD2 3.29Å; F107-F109 WeakPolarHBondContact O-CD2 3.49Å; F107-F109 WeakPolarHBondContact O-CE2 3.34Å |
| 108 | T | 93.7 | Very high | 92.3 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | trans | -76.9 | 128.4 | 171.2 | -63 | 0 | 0 | 0 | 0 | 109.9 | E101 F102 S104 G105 D125 R126 | E101-T108 HydrophobicContact CG-CG2 3.44Å; E101-T108 VanDerWaalsContact CG-CG2 3.44Å; F102-T108 WeakPolarHBondContact O-CA 3.36Å; S104-T108 WeakPolarHBondContact CA-OG1 3.32Å; G105-T108 PolarHBondContact N-OG1 3.08Å; G105-T108 PolarHBondContact O-OG1 3.35Å; T108-D125 CarbonylContact O-C 3.51Å; T108-R126 PolarHBondContact O-N 2.96Å | ||
| 109 | F | 96.1 | Very high | 91.9 | Very high | 30 Ų | 30 | 39.5 Ų | 39.5 | 13% | 0.132 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 141.1 | 175.9 | -64.3 | -77.3 | 0 | 0 | 0 | 109.7 | H80 L81 F102 F107 L123 T124 L131 | H80-F109 HydrophobicContact CB-CD1 4.16Å; H80-F109 HydrophobicContact CB-CD2 4.28Å; H80-F109 HydrophobicContact CB-CE1 4.29Å; H80-F109 HydrophobicContact CB-CE2 4.39Å; H80-F109 HydrophobicContact CB-CG 4.16Å; H80-F109 HydrophobicContact CB-CZ 4.41Å; H80-F109 AromaticContact ND1-CD1 3.88Å; H80-F109 AromaticContact ND1-CE1 3.23Å; H80-F109 WeakPolarHBondContact ND1-CE1 3.49Å; H80-F109 AromaticContact ND1-CZ 3.4Å; H80-F109 WeakPolarHBondContact ND1-CZ 3.32Å; H80-F109 WeakPolarHBondContact O-CD2 3.38Å; L81-F109 HydrophobicContact CD2-CB 3.99Å; F102-F109 PolarHBondContact N-O 2.9Å; F102-F109 PolarHBondContact O-N 2.89Å; F107-F109 VanDerWaalsContact O-CD2 3.29Å; F107-F109 WeakPolarHBondContact O-CD2 3.49Å; F107-F109 WeakPolarHBondContact O-CE2 3.34Å; F109-L123 HydrophobicContact CB-CD1 4.48Å; F109-T124 WeakPolarHBondContact CA-O 3.49Å; F109-L131 HydrophobicContact CD1-CD1 3.66Å; F109-L131 HydrophobicContact CE1-CD1 3.67Å |
| 110 | H | 95.7 | Very high | 91.7 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.023 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 139 | 176.9 | -60.4 | -97.5 | 0 | 0 | 0 | 111 | D99 F100 E101 L123 T124 D125 Y128 | D99-H110 WeakPolarHBondContact OD1-CB 3.43Å; D99-H110 IonicContact OD1-CG 3.77Å; D99-H110 IonicContact OD1-ND1 3.75Å; D99-H110 PolarHBondContact OD1-ND1 2.91Å; D99-H110 IonicContact OD2-ND1 3.09Å; F100-H110 CarbonylContact O-C 3.59Å; F100-H110 VanDerWaalsContact O-CA 3.3Å; F100-H110 WeakPolarHBondContact O-CA 3.49Å; E101-H110 IonicContact OE2-CE1 3.43Å; E101-H110 PolarHBondContact OE2-CE1 3.36Å; H110-L123 WeakPolarHBondContact O-CA 3.39Å; H110-T124 WeakPolarHBondContact CB-OG1 3.38Å; H110-T124 PolarHBondContact N-O 3.39Å; H110-T124 PolarHBondContact O-N 3.49Å; H110-D125 PolarHBondContact CD2-O 3.19Å; H110-Y128 HydrophobicContact CB-CE1 4.25Å; H110-Y128 AromaticContact CE1-CZ 3.76Å; H110-Y128 PolarHBondContact CE1-OH 2.8Å; H110-Y128 AromaticContact CG-CE1 3.83Å; H110-Y128 AromaticContact ND1-CE1 3.87Å; H110-Y128 AromaticContact ND1-CZ 3.85Å; H110-Y128 PolarHBondContact ND1-OH 2.88Å; H110-Y128 AromaticContact NE2-CZ 3.88Å |
| 111 | V | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 109 | 167.7 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | L77 L81 F100 F102 V113 V121 V122 L123 | L77-V111 HydrophobicContact CD2-CG2 4.21Å; L81-V111 HydrophobicContact CD1-CG2 3.57Å; L81-V111 HydrophobicContact CD2-CG2 4.1Å; L81-V111 HydrophobicContact CG-CG2 4.44Å; F100-V111 HydrophobicContact CB-CB 4.31Å; F100-V111 PolarHBondContact N-O 2.94Å; F100-V111 PolarHBondContact O-N 3Å; F102-V111 HydrophobicContact CD2-CG2 4.04Å; F102-V111 HydrophobicContact CE2-CB 4.16Å; F102-V111 HydrophobicContact CE2-CG2 3.74Å; V111-V113 HydrophobicContact CG1-CG2 4.19Å; V111-V121 HydrophobicContact CG1-CG1 3.9Å; V111-V122 CarbonylContact C-O 3.53Å; V111-V122 WeakPolarHBondContact CA-O 3.49Å; V111-L123 HydrophobicContact CG2-CD1 4.08Å |
| 112 | L | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 123.5 | 176.7 | -56 | 117.2 | 0 | 0 | 0 | 109.4 | V92 I97 V98 D99 V121 V122 T124 Y128 Y152 F153 | V92-L112 HydrophobicContact CG2-CD2 4.1Å; I97-L112 HydrophobicContact CG2-CB 4.44Å; I97-L112 HydrophobicContact CG2-CD2 4.37Å; V98-L112 CarbonylContact O-C 3.51Å; V98-L112 WeakPolarHBondContact O-CA 3.19Å; D99-L112 HydrophobicContact CB-CD2 4.28Å; L112-V121 WeakPolarHBondContact O-CA 3.32Å; L112-V122 HydrophobicContact CB-CB 4.3Å; L112-V122 HydrophobicContact CD1-CB 4.31Å; L112-V122 PolarHBondContact N-O 3.31Å; L112-V122 PolarHBondContact O-N 3.37Å; L112-T124 HydrophobicContact CD1-CG2 3.56Å; L112-Y128 HydrophobicContact CD1-CD1 4.37Å; L112-Y128 HydrophobicContact CD2-CE1 4.46Å; L112-Y152 HydrophobicContact CB-CE1 4.44Å; L112-Y152 HydrophobicContact CD1-CD1 4Å; L112-Y152 HydrophobicContact CD1-CE1 4.39Å; L112-Y152 HydrophobicContact CD1-CG 4.07Å; L112-Y152 HydrophobicContact CD2-CD1 3.81Å; L112-Y152 HydrophobicContact CD2-CE1 3.71Å; L112-Y152 HydrophobicContact CG-CD1 4.42Å; L112-Y152 HydrophobicContact CG-CE1 4.4Å; L112-F153 HydrophobicContact CD2-CE2 4.39Å; L112-F153 HydrophobicContact CD2-CZ 4.13Å |
| 113 | V | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 112.5 | -179.8 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | F51 I57 I97 V98 F100 V111 L115 V121 | F51-V113 HydrophobicContact CB-CG1 4.23Å; F51-V113 HydrophobicContact CD2-CG1 4.25Å; F51-V113 HydrophobicContact CD2-CG2 4.13Å; F51-V113 HydrophobicContact CE2-CG2 4.43Å; F51-V113 HydrophobicContact CG-CG1 4.49Å; F51-V113 HydrophobicContact CG-CG2 4.26Å; I57-V113 HydrophobicContact CD1-CB 3.84Å; I57-V113 HydrophobicContact CD1-CG1 3.74Å; I57-V113 HydrophobicContact CD1-CG2 4.33Å; I57-V113 HydrophobicContact CG1-CG1 4.21Å; I97-V113 WeakPolarHBondContact CA-O 3.25Å; V98-V113 PolarHBondContact N-O 3.3Å; V98-V113 PolarHBondContact O-N 2.96Å; F100-V113 HydrophobicContact CD2-CG2 4.27Å; F100-V113 HydrophobicContact CE2-CG2 4.07Å; V111-V113 HydrophobicContact CG1-CG2 4.19Å; V113-L115 HydrophobicContact CG1-CD2 3.81Å; V113-L115 HydrophobicContact CG1-CG 4.41Å; V113-V121 HydrophobicContact CG2-CG1 4.47Å |
| 114 | E | 93.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 121.2 | 176.4 | -63.6 | 173.8 | -169.1 | 0 | 0 | 110.4 | G54 I97 Y116 G119 N120 Y152 | G54-E114 WeakPolarHBondContact CA-O 3.07Å; G54-E114 PolarHBondContact N-O 3.38Å; I97-E114 HydrophobicContact CG1-CG 4.2Å; E114-Y116 HydrophobicContact CB-CD1 4.2Å; E114-Y116 HydrophobicContact CB-CE1 3.82Å; E114-Y116 HydrophobicContact CG-CE1 3.96Å; E114-G119 WeakPolarHBondContact O-CA 3.48Å; E114-N120 HydrophobicContact CB-CB 4.32Å; E114-N120 HydrophobicContact CG-CB 4.26Å; E114-N120 PolarHBondContact N-O 2.76Å; E114-N120 WeakPolarHBondContact OE2-CB 3.36Å; E114-Y152 WeakPolarHBondContact CG-OH 3.5Å; E114-Y152 WeakPolarHBondContact OE1-CE2 3.31Å; E114-Y152 PolarHBondContact OE1-OH 2.86Å |
| 115 | L | 92.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -105.7 | 29.9 | -175.2 | -56.8 | 173.7 | 0 | 0 | 0 | 113 | F5 V10 I57 R96 V98 V113 | F5-L115 HydrophobicContact CD2-CD1 4.04Å; V10-L115 HydrophobicContact CG2-CD1 3.84Å; I57-L115 HydrophobicContact CD1-CD1 3.79Å; I57-L115 HydrophobicContact CD1-CD2 4.01Å; I57-L115 HydrophobicContact CD1-CG 4.21Å; I57-L115 HydrophobicContact CG1-CD1 3.85Å; I57-L115 HydrophobicContact CG1-CD2 3.66Å; I57-L115 HydrophobicContact CG1-CG 4.27Å; R96-L115 HydrophobicContact CB-CB 4.23Å; R96-L115 PolarHBondContact O-N 2.91Å; V98-L115 HydrophobicContact CG2-CD1 4.22Å; V113-L115 HydrophobicContact CG1-CD2 3.81Å; V113-L115 HydrophobicContact CG1-CG 4.41Å | ||
| 116 | Y | 88.2 | Confident | 91.8 | Very high | 54 Ų | 54 | 37.1 Ų | 37.1 | 21% | 0.212 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -133.6 | 162.5 | 179.8 | 64 | -90.3 | 0 | 0 | 0 | 112.7 | R96 I97 E114 R118 G119 | R96-Y116 HydrophobicContact CB-CD1 4.32Å; R96-Y116 VanDerWaalsContact CZ-CB 3.45Å; R96-Y116 VanDerWaalsContact NH2-CB 3.3Å; I97-Y116 HydrophobicContact CD1-CE1 4.05Å; I97-Y116 HydrophobicContact CG1-CD1 4.45Å; I97-Y116 HydrophobicContact CG1-CE1 3.76Å; E114-Y116 HydrophobicContact CB-CD1 4.2Å; E114-Y116 HydrophobicContact CB-CE1 3.82Å; E114-Y116 HydrophobicContact CG-CE1 3.96Å; Y116-R118 PolarHBondContact O-N 3.43Å; Y116-G119 VanDerWaalsContact O-CA 3.3Å; Y116-G119 WeakPolarHBondContact O-CA 3.33Å; Y116-G119 PolarHBondContact O-N 2.93Å |
| 117 | D | 83.1 | Confident | 91.9 | Very high | 75 Ų | 75 | 35 Ų | 35 | 40% | 0.401 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | -117.7 | 178.3 | 177.9 | 31.8 | 0 | 0 | 0 | 112.9 | R4 R137 | R4-D117 PolarHBondContact NH1-O 3.3Å; R4-D117 VanDerWaalsContact NH1-O 3.1Å; R4-D117 PolarHBondContact NH2-O 3.09Å; R4-D117 VanDerWaalsContact NH2-O 3.09Å; D117-R137 IonicContact OD2-CZ 2.68Å; D117-R137 IonicContact OD2-NH1 2.68Å; D117-R137 IonicContact OD2-NH2 3.47Å; D117-R137 PolarHBondContact OD2-NH2 2.94Å |
| 118 | R | 83.5 | Confident | 92 | Very high | 186 Ų | 186 | 30.1 Ų | 30.1 | 70% | 0.702 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -18.4 | 172.5 | -67 | -174.7 | 178.9 | -176.3 | 1.4 | 112 | Y116 R135 | Y116-R118 PolarHBondContact O-N 3.43Å; R118-R135 PolarHBondContact O-NH1 2.91Å; R118-R135 PolarHBondContact O-NH2 3.1Å |
| 119 | G | 86.8 | Confident | 91.8 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | trans | 76.9 | 162 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S53 E114 Y116 R135 | S53-G119 PolarHBondContact OG-O 3.44Å; E114-G119 WeakPolarHBondContact O-CA 3.48Å; Y116-G119 VanDerWaalsContact O-CA 3.3Å; Y116-G119 WeakPolarHBondContact O-CA 3.33Å; Y116-G119 PolarHBondContact O-N 2.93Å; G119-R135 VanDerWaalsContact O-CZ 3.31Å; G119-R135 PolarHBondContact O-NE 3.39Å; G119-R135 PolarHBondContact O-NH2 3.03Å | ||
| 120 | N | 91.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 162.2 | 169.9 | -142.7 | -13.9 | 0 | 0 | 0 | 110.6 | S53 E114 V122 I133 L134 R135 | S53-N120 VanDerWaalsContact OG-CA 3.29Å; S53-N120 WeakPolarHBondContact OG-CA 3.45Å; S53-N120 PolarHBondContact OG-N 3.48Å; E114-N120 HydrophobicContact CB-CB 4.32Å; E114-N120 HydrophobicContact CG-CB 4.26Å; E114-N120 PolarHBondContact N-O 2.76Å; E114-N120 WeakPolarHBondContact OE2-CB 3.36Å; N120-V122 HydrophobicContact CB-CG2 4.48Å; N120-I133 WeakPolarHBondContact ND2-CD1 3.32Å; N120-I133 WeakPolarHBondContact ND2-CG1 3.2Å; N120-L134 WeakPolarHBondContact OD1-CB 3.31Å; N120-R135 PolarHBondContact ND2-O 2.82Å; N120-R135 PolarHBondContact OD1-N 3.48Å |
| 121 | V | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 123.5 | 168.8 | -172.9 | 0 | 0 | 0 | 0 | 106.4 | F51 F73 V111 L112 V113 L134 | F51-V121 HydrophobicContact CD2-CG2 4.1Å; F51-V121 HydrophobicContact CE2-CB 4.48Å; F51-V121 HydrophobicContact CE2-CG1 3.8Å; F51-V121 HydrophobicContact CE2-CG2 3.87Å; F51-V121 HydrophobicContact CZ-CG1 4.4Å; F73-V121 HydrophobicContact CE1-CB 3.95Å; F73-V121 HydrophobicContact CE1-CG1 3.76Å; F73-V121 HydrophobicContact CZ-CB 3.75Å; F73-V121 HydrophobicContact CZ-CG1 3.66Å; F73-V121 WeakPolarHBondContact CZ-O 3.44Å; V111-V121 HydrophobicContact CG1-CG1 3.9Å; L112-V121 WeakPolarHBondContact O-CA 3.32Å; V113-V121 HydrophobicContact CG2-CG1 4.47Å; V121-L134 HydrophobicContact CB-CB 4.16Å; V121-L134 HydrophobicContact CB-CD2 4.31Å; V121-L134 HydrophobicContact CG2-CD2 3.96Å; V121-L134 WeakPolarHBondContact O-CB 3.35Å; V121-L134 PolarHBondContact O-N 2.84Å |
| 122 | V | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 126.5 | -173.4 | -167.6 | 0 | 0 | 0 | 0 | 108.8 | V111 L112 N120 T124 I130 I133 Y152 | V111-V122 CarbonylContact C-O 3.53Å; V111-V122 WeakPolarHBondContact CA-O 3.49Å; L112-V122 HydrophobicContact CB-CB 4.3Å; L112-V122 HydrophobicContact CD1-CB 4.31Å; L112-V122 PolarHBondContact N-O 3.31Å; L112-V122 PolarHBondContact O-N 3.37Å; N120-V122 HydrophobicContact CB-CG2 4.48Å; V122-T124 HydrophobicContact CG1-CG2 3.91Å; V122-I130 HydrophobicContact CG1-CB 4.34Å; V122-I130 HydrophobicContact CG1-CD1 4.15Å; V122-I130 HydrophobicContact CG1-CG1 3.73Å; V122-I130 HydrophobicContact CG1-CG2 3.86Å; V122-I133 HydrophobicContact CG2-CD1 4.23Å; V122-I133 HydrophobicContact CG2-CG1 4.14Å; V122-Y152 HydrophobicContact CB-CD2 4.2Å; V122-Y152 HydrophobicContact CB-CE2 4.21Å; V122-Y152 HydrophobicContact CG1-CD2 3.9Å; V122-Y152 HydrophobicContact CG1-CE2 4.38Å; V122-Y152 HydrophobicContact CG2-CD2 4.03Å; V122-Y152 HydrophobicContact CG2-CE2 3.65Å |
| 123 | L | 95.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.5 | 172.6 | 176 | 68.1 | 0 | 0 | 0 | 108.1 | L77 H80 L81 F109 H110 V111 L131 N132 | L77-L123 HydrophobicContact CD2-CB 4.25Å; L77-L123 HydrophobicContact CD2-CD1 4.12Å; L77-L123 HydrophobicContact CD2-CD2 4.29Å; L77-L123 HydrophobicContact CD2-CG 4.45Å; H80-L123 HydrophobicContact CB-CD1 4.47Å; H80-L123 HydrophobicContact CB-CD2 4.15Å; L81-L123 HydrophobicContact CD2-CD1 4.2Å; F109-L123 HydrophobicContact CB-CD1 4.48Å; H110-L123 WeakPolarHBondContact O-CA 3.39Å; V111-L123 HydrophobicContact CG2-CD1 4.08Å; L123-L131 HydrophobicContact CD2-CB 4.33Å; L123-L131 HydrophobicContact CG-CB 4.26Å; L123-L131 HydrophobicContact CG-CD1 4.35Å; L123-L131 PolarHBondContact O-N 3.38Å; L123-N132 HydrophobicContact CB-CB 4.23Å; L123-N132 HydrophobicContact CD2-CB 4.46Å; L123-N132 PolarHBondContact N-O 2.95Å; L123-N132 PolarHBondContact O-N 2.82Å; L123-N132 VanDerWaalsContact O-N 3.16Å |
| 124 | T | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 164 | 177.4 | 73.9 | 0 | 0 | 0 | 0 | 112 | F109 H110 L112 V122 I129 I130 | F109-T124 WeakPolarHBondContact CA-O 3.49Å; H110-T124 WeakPolarHBondContact CB-OG1 3.38Å; H110-T124 PolarHBondContact N-O 3.39Å; H110-T124 PolarHBondContact O-N 3.49Å; L112-T124 HydrophobicContact CD1-CG2 3.56Å; V122-T124 HydrophobicContact CG1-CG2 3.91Å; T124-I129 WeakPolarHBondContact CA-O 3.46Å; T124-I129 VanDerWaalsContact CB-O 3.28Å; T124-I129 WeakPolarHBondContact CB-O 3.43Å; T124-I130 HydrophobicContact CG2-CG1 4.09Å |
| 125 | D | 93 | Very high | 90.5 | Very high | 37 Ų | 37 | 39.4 Ų | 39.4 | 20% | 0.198 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -174.1 | 166 | 67.3 | 8.9 | 0 | 0 | 0 | 112 | T108 H110 E127 Y128 I129 L131 | T108-D125 CarbonylContact O-C 3.51Å; H110-D125 PolarHBondContact CD2-O 3.19Å; D125-E127 PolarHBondContact O-N 2.94Å; D125-E127 WeakPolarHBondContact OD1-CA 3.48Å; D125-E127 PolarHBondContact OD1-N 2.99Å; D125-Y128 PolarHBondContact O-N 3.16Å; D125-Y128 PolarHBondContact OD1-N 3.34Å; D125-Y128 VanDerWaalsContact OD1-N 3.15Å; D125-I129 PolarHBondContact N-O 2.87Å; D125-I129 VanDerWaalsContact N-O 3.1Å; D125-I129 WeakPolarHBondContact OD1-CB 3.28Å; D125-I129 PolarHBondContact OD1-N 2.81Å; D125-I129 WeakPolarHBondContact OD2-CB 3.46Å; D125-L131 HydrophobicContact CB-CD1 4.35Å |
| 126 | R | 92 | Very high | 90 | Very high | 110 Ų | 110 | 43.5 Ų | 43.5 | 42% | 0.415 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -25.2 | 176.5 | 79.4 | -176.2 | -176.1 | -170.4 | -6.1 | 114 | E106 T108 | E106-R126 VanDerWaalsContact CG-NH1 3.33Å; E106-R126 IonicContact OE1-CZ 3.89Å; E106-R126 IonicContact OE1-NH1 2.89Å; E106-R126 PolarHBondContact OE1-NH1 3.04Å; E106-R126 IonicContact OE1-NH2 3.99Å; T108-R126 PolarHBondContact O-N 2.96Å |
| 127 | E | 89.3 | Confident | 89.2 | Confident | 95 Ų | 95 | 44.1 Ų | 44.1 | 44% | 0.444 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 12.8 | -179 | -63 | -176.8 | -167.9 | 0 | 0 | 111.8 | D125 I129 K158 | D125-E127 PolarHBondContact O-N 2.94Å; D125-E127 WeakPolarHBondContact OD1-CA 3.48Å; D125-E127 PolarHBondContact OD1-N 2.99Å; E127-I129 HydrophobicContact CB-CD1 4.12Å; E127-I129 HydrophobicContact CB-CG1 4.05Å; E127-I129 PolarHBondContact O-N 3.19Å; E127-K158 WeakPolarHBondContact O-CE 3.43Å; E127-K158 PolarHBondContact O-NZ 2.93Å |
| 128 | Y | 90.8 | Very high | 88.2 | Confident | 27 Ų | 27 | 45.9 Ų | 45.9 | 11% | 0.106 | 22% | 0.215 | C | C | . | . | trans | 59.4 | 24.5 | -175.3 | -61.9 | -88.7 | 0 | 0 | 0 | 113.8 | R90 D99 H110 L112 D125 C151 Y152 F153 | R90-Y128 PolarHBondContact NH2-OH 2.99Å; D99-Y128 PolarHBondContact OD2-OH 2.86Å; H110-Y128 HydrophobicContact CB-CE1 4.25Å; H110-Y128 AromaticContact CE1-CZ 3.76Å; H110-Y128 PolarHBondContact CE1-OH 2.8Å; H110-Y128 AromaticContact CG-CE1 3.83Å; H110-Y128 AromaticContact ND1-CE1 3.87Å; H110-Y128 AromaticContact ND1-CZ 3.85Å; H110-Y128 PolarHBondContact ND1-OH 2.88Å; H110-Y128 AromaticContact NE2-CZ 3.88Å; L112-Y128 HydrophobicContact CD1-CD1 4.37Å; L112-Y128 HydrophobicContact CD2-CE1 4.46Å; D125-Y128 PolarHBondContact O-N 3.16Å; D125-Y128 PolarHBondContact OD1-N 3.34Å; D125-Y128 VanDerWaalsContact OD1-N 3.15Å; Y128-C151 CarbonylContact O-C 3.6Å; Y128-C151 WeakPolarHBondContact O-CA 3.46Å; Y128-Y152 PolarHBondContact O-N 3.26Å; Y128-F153 AromaticContact CD1-CD2 3.74Å; Y128-F153 HydrophobicContact CD1-CD2 3.74Å; Y128-F153 AromaticContact CD1-CE2 3.39Å; Y128-F153 HydrophobicContact CD1-CE2 3.39Å; Y128-F153 HydrophobicContact CD2-CD2 4.28Å; Y128-F153 HydrophobicContact CD2-CE2 4.47Å; Y128-F153 HydrophobicContact CE1-CD2 4.29Å; Y128-F153 AromaticContact CE1-CE2 3.59Å; Y128-F153 HydrophobicContact CE1-CE2 3.59Å; Y128-F153 AromaticContact CG-CD2 3.72Å; Y128-F153 HydrophobicContact CG-CD2 3.72Å; Y128-F153 AromaticContact CG-CE2 3.87Å; Y128-F153 HydrophobicContact CG-CE2 3.87Å | ||
| 129 | I | 91.1 | Very high | 87 | Confident | 52 Ų | 52 | 42 Ų | 42 | 27% | 0.267 | 21% | 0.209 | S | C | . | . | B | Isolated β-bridge | trans | -80.5 | 125.4 | 172.9 | -56.2 | 174.6 | 0 | 0 | 0 | 108.4 | T124 D125 E127 L131 | T124-I129 WeakPolarHBondContact CA-O 3.46Å; T124-I129 VanDerWaalsContact CB-O 3.28Å; T124-I129 WeakPolarHBondContact CB-O 3.43Å; D125-I129 PolarHBondContact N-O 2.87Å; D125-I129 VanDerWaalsContact N-O 3.1Å; D125-I129 WeakPolarHBondContact OD1-CB 3.28Å; D125-I129 PolarHBondContact OD1-N 2.81Å; D125-I129 WeakPolarHBondContact OD2-CB 3.46Å; E127-I129 HydrophobicContact CB-CD1 4.12Å; E127-I129 HydrophobicContact CB-CG1 4.05Å; E127-I129 PolarHBondContact O-N 3.19Å; I129-L131 PolarHBondContact O-N 3.34Å |
| 130 | I | 92.4 | Very high | 85.5 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 113.5 | -174.1 | -61.1 | 169.6 | 0 | 0 | 0 | 110.5 | V122 T124 I133 Y146 V148 R149 Q150 Y152 | V122-I130 HydrophobicContact CG1-CB 4.34Å; V122-I130 HydrophobicContact CG1-CD1 4.15Å; V122-I130 HydrophobicContact CG1-CG1 3.73Å; V122-I130 HydrophobicContact CG1-CG2 3.86Å; T124-I130 HydrophobicContact CG2-CG1 4.09Å; I130-I133 HydrophobicContact CG2-CB 4.18Å; I130-Y146 HydrophobicContact CD1-CD1 3.98Å; I130-V148 WeakPolarHBondContact O-CG1 3.39Å; I130-R149 PolarHBondContact O-N 3.09Å; I130-Q150 WeakPolarHBondContact CB-O 3.33Å; I130-Q150 VanDerWaalsContact CG1-O 3.27Å; I130-Q150 WeakPolarHBondContact CG1-O 3.39Å; I130-Q150 PolarHBondContact N-O 3.21Å; I130-Y152 HydrophobicContact CD1-CD2 4.24Å |
| 131 | L | 91.9 | Very high | 83.8 | Confident | 46 Ų | 46 | 58.8 Ų | 58.8 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -35.6 | 172.7 | -58.7 | 176.7 | 0 | 0 | 0 | 111.4 | K76 F109 L123 D125 I129 | K76-L131 PolarHBondContact NZ-O 3.45Å; F109-L131 HydrophobicContact CD1-CD1 3.66Å; F109-L131 HydrophobicContact CE1-CD1 3.67Å; L123-L131 HydrophobicContact CD2-CB 4.33Å; L123-L131 HydrophobicContact CG-CB 4.26Å; L123-L131 HydrophobicContact CG-CD1 4.35Å; L123-L131 PolarHBondContact O-N 3.38Å; D125-L131 HydrophobicContact CB-CD1 4.35Å; I129-L131 PolarHBondContact O-N 3.34Å |
| 132 | N | 92.4 | Very high | 82 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 11% | 0.107 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 151.7 | 175.7 | -148.2 | 26 | 0 | 0 | 0 | 111.9 | F73 K76 L123 | F73-N132 HydrophobicContact CD2-CB 4.45Å; F73-N132 WeakPolarHBondContact CD2-ND2 3.47Å; F73-N132 HydrophobicContact CE2-CB 4.21Å; K76-N132 HydrophobicContact CB-CB 4.47Å; K76-N132 HydrophobicContact CD-CB 3.85Å; K76-N132 VanDerWaalsContact CD-CG 3.47Å; K76-N132 WeakPolarHBondContact CD-ND2 3.41Å; K76-N132 WeakPolarHBondContact CE-OD1 3.41Å; K76-N132 PolarHBondContact NZ-OD1 3.41Å; L123-N132 HydrophobicContact CB-CB 4.23Å; L123-N132 HydrophobicContact CD2-CB 4.46Å; L123-N132 PolarHBondContact N-O 2.95Å; L123-N132 PolarHBondContact O-N 2.82Å; L123-N132 VanDerWaalsContact O-N 3.16Å |
| 133 | I | 90.9 | Very high | 80 | Confident | 11 Ų | 11 | 70.7 Ų | 70.7 | 6% | 0.056 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 137.5 | 177.9 | -172.3 | 161.2 | 0 | 0 | 0 | 109 | N120 V122 I130 P136 Y146 V148 | N120-I133 WeakPolarHBondContact ND2-CD1 3.32Å; N120-I133 WeakPolarHBondContact ND2-CG1 3.2Å; V122-I133 HydrophobicContact CG2-CD1 4.23Å; V122-I133 HydrophobicContact CG2-CG1 4.14Å; I130-I133 HydrophobicContact CG2-CB 4.18Å; I133-P136 HydrophobicContact CG2-CB 4.23Å; I133-P136 HydrophobicContact CG2-CG 3.9Å; I133-Y146 VanDerWaalsContact CD1-CB 3.49Å; I133-Y146 HydrophobicContact CD1-CG 4.42Å; I133-V148 HydrophobicContact CG2-CG2 4.44Å |
| 134 | L | 89.5 | Confident | 78.2 | Confident | 32 Ų | 32 | 73.4 Ų | 73.4 | 17% | 0.168 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -66.7 | -45.7 | -179.5 | 178.8 | 62.2 | 0 | 0 | 0 | 111.2 | Y36 F73 N120 V121 | Y36-L134 HydrophobicContact CE2-CD1 4.1Å; Y36-L134 HydrophobicContact CE2-CD2 4.04Å; Y36-L134 WeakPolarHBondContact OH-CD1 3.35Å; F73-L134 HydrophobicContact CB-CD1 4.43Å; F73-L134 HydrophobicContact CD1-CD1 4.33Å; F73-L134 HydrophobicContact CD2-CB 4.29Å; F73-L134 HydrophobicContact CD2-CD1 4.4Å; F73-L134 HydrophobicContact CE2-CB 4.07Å; F73-L134 HydrophobicContact CG-CD1 4.13Å; F73-L134 HydrophobicContact CZ-CB 4.24Å; N120-L134 WeakPolarHBondContact OD1-CB 3.31Å; V121-L134 HydrophobicContact CB-CB 4.16Å; V121-L134 HydrophobicContact CB-CD2 4.31Å; V121-L134 HydrophobicContact CG2-CD2 3.96Å; V121-L134 WeakPolarHBondContact O-CB 3.35Å; V121-L134 PolarHBondContact O-N 2.84Å |
| 135 | R | 86.1 | Confident | 76.6 | Confident | 80 Ų | 80 | 81 Ų | 81 | 30% | 0.302 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -129.9 | 101.5 | 178 | -77.4 | 178.2 | -82.1 | -156.8 | -6.6 | 109.9 | S53 R118 G119 N120 R137 | S53-R135 PolarHBondContact OG-NH2 3.47Å; R118-R135 PolarHBondContact O-NH1 2.91Å; R118-R135 PolarHBondContact O-NH2 3.1Å; G119-R135 VanDerWaalsContact O-CZ 3.31Å; G119-R135 PolarHBondContact O-NE 3.39Å; G119-R135 PolarHBondContact O-NH2 3.03Å; N120-R135 PolarHBondContact ND2-O 2.82Å; N120-R135 PolarHBondContact OD1-N 3.48Å; R135-R137 PolarHBondContact O-N 2.86Å |
| 136 | P | 80.6 | Confident | 75.5 | Confident | 86 Ų | 86 | 80.8 Ų | 80.8 | 56% | 0.558 | 40% | 0.397 | S | S | * | . | trans | -59.9 | 126.9 | 170.3 | -15.7 | 27.2 | 0 | 0 | 0 | 109.4 | I133 | I133-P136 HydrophobicContact CG2-CB 4.23Å; I133-P136 HydrophobicContact CG2-CG 3.9Å | ||
| 137 | R | 71.5 | Confident | 74.7 | Confident | 66 Ų | 66 | 77.5 Ų | 77.5 | 25% | 0.249 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -96.4 | 113.2 | 172.2 | -70.1 | -172 | -179.2 | -152 | -6.5 | 108.3 | D117 R135 | D117-R137 IonicContact OD2-CZ 2.68Å; D117-R137 IonicContact OD2-NH1 2.68Å; D117-R137 IonicContact OD2-NH2 3.47Å; D117-R137 PolarHBondContact OD2-NH2 2.94Å; R135-R137 PolarHBondContact O-N 2.86Å |
| 138 | T | 62.8 | Low | 74.2 | Confident | 112 Ų | 112 | 76.3 Ų | 76.3 | 69% | 0.687 | 39% | 0.393 | S | S | * | . | trans | -114 | 13.8 | 178.1 | 55 | 0 | 0 | 0 | 0 | 112.5 | K140 | T138-K140 PolarHBondContact O-N 3.45Š| ||
| 139 | D | 59 | Low | 73.8 | Confident | 106 Ų | 106 | 85.6 Ų | 85.6 | 57% | 0.567 | 43% | 0.428 | S | S | * | . | trans | -60.8 | 126.2 | -179.1 | -68.8 | -27.2 | 0 | 0 | 0 | 109.6 | D141 | D139-D141 PolarHBondContact O-N 3.44Š| ||
| 140 | K | 54.9 | Low | 73.5 | Confident | 189 Ų | 189 | 86.8 Ų | 86.8 | 82% | 0.822 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -18.9 | -178.1 | -68 | -178.7 | 179.3 | 179.5 | 0 | 112.7 | T138 | T138-K140 PolarHBondContact O-N 3.45Š|
| 141 | D | 55.7 | Low | 73.1 | Confident | 163 Ų | 163 | 88.6 Ų | 88.6 | 87% | 0.872 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 5.2 | -172.8 | -64.4 | -23.8 | 0 | 0 | 0 | 114 | D139 | D139-D141 PolarHBondContact O-N 3.44Š|
| 142 | T | 54.6 | Low | 72.7 | Confident | 76 Ų | 76 | 86.6 Ų | 86.6 | 47% | 0.466 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -125.2 | 124.5 | 174.8 | -2.4 | 0 | 0 | 0 | 0 | 109.5 | V144 | T142-V144 PolarHBondContact O-N 2.99Š|
| 143 | D | 52.5 | Low | 72.1 | Confident | 175 Ų | 175 | 86.7 Ų | 86.7 | 94% | 0.936 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -61.6 | -11.9 | -174.1 | -75.6 | -31.8 | 0 | 0 | 0 | 114.7 | ||
| 144 | V | 57.1 | Low | 70.5 | Confident | 58 Ų | 58 | 89.1 Ų | 89.1 | 35% | 0.352 | 45% | 0.45 | S | S | . | . | trans | -105.9 | 95.9 | -178.6 | -166.1 | 0 | 0 | 0 | 0 | 110.6 | T142 Y146 P154 | T142-V144 PolarHBondContact O-N 2.99Å; V144-Y146 HydrophobicContact CB-CE2 4.31Å; V144-Y146 HydrophobicContact CG1-CD1 4.16Å; V144-Y146 HydrophobicContact CG1-CD2 4.12Å; V144-Y146 HydrophobicContact CG1-CE1 3.67Å; V144-Y146 HydrophobicContact CG1-CE2 3.64Å; V144-Y146 HydrophobicContact CG1-CG 4.37Å; V144-P154 HydrophobicContact CG1-CG 4.19Å | ||
| 145 | R | 59.9 | Low | 68.8 | Low | 160 Ų | 160 | 96.8 Ų | 96.8 | 60% | 0.604 | 49% | 0.485 | S | S | * | . | trans | -77.2 | 122 | 164.5 | -66.7 | -177.2 | -176.2 | 172.7 | 5.3 | 107.8 | Q150 | R145-Q150 PolarHBondContact O-OE1 3.17Š| ||
| 146 | Y | 70.8 | Confident | 67.1 | Low | 31 Ų | 31 | 96.1 Ų | 96.1 | 12% | 0.122 | 50% | 0.503 | C | S | . | . | B | Isolated β-bridge | trans | -101.2 | 95.2 | 167.9 | -66.2 | -70.3 | 0 | 0 | 0 | 108.5 | I130 I133 V144 Y152 | I130-Y146 HydrophobicContact CD1-CD1 3.98Å; I133-Y146 VanDerWaalsContact CD1-CB 3.49Å; I133-Y146 HydrophobicContact CD1-CG 4.42Å; V144-Y146 HydrophobicContact CB-CE2 4.31Å; V144-Y146 HydrophobicContact CG1-CD1 4.16Å; V144-Y146 HydrophobicContact CG1-CD2 4.12Å; V144-Y146 HydrophobicContact CG1-CE1 3.67Å; V144-Y146 HydrophobicContact CG1-CE2 3.64Å; V144-Y146 HydrophobicContact CG1-CG 4.37Å; Y146-Y152 AromaticContact CD1-CD2 3.89Å; Y146-Y152 HydrophobicContact CD1-CD2 3.89Å; Y146-Y152 HydrophobicContact CD1-CE2 4.17Å; Y146-Y152 AromaticContact CE1-CD2 3.67Å; Y146-Y152 HydrophobicContact CE1-CD2 3.67Å; Y146-Y152 AromaticContact CE1-CE2 3.77Å; Y146-Y152 HydrophobicContact CE1-CE2 3.77Å; Y146-Y152 HydrophobicContact CE1-CG 4.35Å; Y146-Y152 WeakPolarHBondContact CE1-O 3.45Å |
| 147 | A | 75.1 | Confident | 65.8 | Low | 42 Ų | 42 | 98.7 Ų | 98.7 | 35% | 0.347 | 50% | 0.501 | S | S | . | . | trans | -110.8 | 157.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R149 Q150 | A147-R149 PolarHBondContact O-N 3.31Å; A147-Q150 HydrophobicContact CB-CG 4.27Å; A147-Q150 WeakPolarHBondContact O-CB 3.44Å; A147-Q150 PolarHBondContact O-N 2.89Å; A147-Q150 VanDerWaalsContact O-N 3.14Å | ||
| 148 | V | 79 | Confident | 64.5 | Low | 70 Ų | 70 | 99.7 Ų | 99.7 | 42% | 0.424 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 139.4 | 171.8 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | I130 I133 Q150 | I130-V148 WeakPolarHBondContact O-CG1 3.39Å; I133-V148 HydrophobicContact CG2-CG2 4.44Å; V148-Q150 VanDerWaalsContact C-N 3.31Å |
| 149 | R | 82.1 | Confident | 63.5 | Low | 222 Ų | 222 | 103.8 Ų | 103.8 | 84% | 0.838 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 4.7 | -173 | -51.8 | 179.9 | 175.6 | 168.4 | -3.2 | 116.5 | I130 A147 | I130-R149 PolarHBondContact O-N 3.09Å; A147-R149 PolarHBondContact O-N 3.31Å |
| 150 | Q | 83.6 | Confident | 62.3 | Low | 77 Ų | 77 | 105.3 Ų | 105.3 | 36% | 0.36 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -92 | 154.6 | 169.1 | -65.6 | 179 | -33.3 | 0 | 0 | 110.6 | I130 R145 A147 V148 | I130-Q150 WeakPolarHBondContact CB-O 3.33Å; I130-Q150 VanDerWaalsContact CG1-O 3.27Å; I130-Q150 WeakPolarHBondContact CG1-O 3.39Å; I130-Q150 PolarHBondContact N-O 3.21Å; R145-Q150 PolarHBondContact O-OE1 3.17Å; A147-Q150 HydrophobicContact CB-CG 4.27Å; A147-Q150 WeakPolarHBondContact O-CB 3.44Å; A147-Q150 PolarHBondContact O-N 2.89Å; A147-Q150 VanDerWaalsContact O-N 3.14Å; V148-Q150 VanDerWaalsContact C-N 3.31Å |
| 151 | C | 84.6 | Confident | 61.4 | Low | 38 Ų | 38 | 104.5 Ų | 104.5 | 26% | 0.257 | 53% | 0.529 | S | S | . | . | B | Isolated β-bridge | trans | -72.6 | 129.9 | 171.6 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | Y128 F153 K158 | Y128-C151 CarbonylContact O-C 3.6Å; Y128-C151 WeakPolarHBondContact O-CA 3.46Å; C151-F153 PolarHBondContact O-N 2.87Å; C151-F153 PolarHBondContact SG-N 3.27Å; C151-F153 VanDerWaalsContact SG-N 3.45Å; C151-F153 PolarHBondContact SG-O 3.11Å; C151-K158 WeakPolarHBondContact SG-CE 3.29Å; C151-K158 PolarHBondContact SG-NZ 2.85Å |
| 152 | Y | 84 | Confident | 60.3 | Low | 4 Ų | 4 | 99.7 Ų | 99.7 | 2% | 0.016 | 51% | 0.511 | C | S | . | . | S | Bend | trans | -63.3 | -27.4 | 175.8 | -174.3 | -99.6 | 0 | 0 | 0 | 112.3 | L112 E114 V122 Y128 I130 Y146 P154 | L112-Y152 HydrophobicContact CB-CE1 4.44Å; L112-Y152 HydrophobicContact CD1-CD1 4Å; L112-Y152 HydrophobicContact CD1-CE1 4.39Å; L112-Y152 HydrophobicContact CD1-CG 4.07Å; L112-Y152 HydrophobicContact CD2-CD1 3.81Å; L112-Y152 HydrophobicContact CD2-CE1 3.71Å; L112-Y152 HydrophobicContact CG-CD1 4.42Å; L112-Y152 HydrophobicContact CG-CE1 4.4Å; E114-Y152 WeakPolarHBondContact CG-OH 3.5Å; E114-Y152 WeakPolarHBondContact OE1-CE2 3.31Å; E114-Y152 PolarHBondContact OE1-OH 2.86Å; V122-Y152 HydrophobicContact CB-CD2 4.2Å; V122-Y152 HydrophobicContact CB-CE2 4.21Å; V122-Y152 HydrophobicContact CG1-CD2 3.9Å; V122-Y152 HydrophobicContact CG1-CE2 4.38Å; V122-Y152 HydrophobicContact CG2-CD2 4.03Å; V122-Y152 HydrophobicContact CG2-CE2 3.65Å; Y128-Y152 PolarHBondContact O-N 3.26Å; I130-Y152 HydrophobicContact CD1-CD2 4.24Å; Y146-Y152 AromaticContact CD1-CD2 3.89Å; Y146-Y152 HydrophobicContact CD1-CD2 3.89Å; Y146-Y152 HydrophobicContact CD1-CE2 4.17Å; Y146-Y152 AromaticContact CE1-CD2 3.67Å; Y146-Y152 HydrophobicContact CE1-CD2 3.67Å; Y146-Y152 AromaticContact CE1-CE2 3.77Å; Y146-Y152 HydrophobicContact CE1-CE2 3.77Å; Y146-Y152 HydrophobicContact CE1-CG 4.35Å; Y146-Y152 WeakPolarHBondContact CE1-O 3.45Å; Y152-P154 VanDerWaalsContact C-CD 3.4Å; Y152-P154 WeakPolarHBondContact O-CD 3.38Å |
| 153 | F | 79.9 | Confident | 59.5 | Low | 23 Ų | 23 | 101.4 Ų | 101.4 | 10% | 0.101 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -107.6 | 80.1 | 172.6 | -62.8 | -64.3 | 0 | 0 | 0 | 110.8 | V92 L112 Y128 C151 R157 K158 | V92-F153 HydrophobicContact CG1-CE1 3.6Å; V92-F153 HydrophobicContact CG1-CZ 3.55Å; V92-F153 HydrophobicContact CG2-CZ 4.26Å; L112-F153 HydrophobicContact CD2-CE2 4.39Å; L112-F153 HydrophobicContact CD2-CZ 4.13Å; Y128-F153 AromaticContact CD1-CD2 3.74Å; Y128-F153 HydrophobicContact CD1-CD2 3.74Å; Y128-F153 AromaticContact CD1-CE2 3.39Å; Y128-F153 HydrophobicContact CD1-CE2 3.39Å; Y128-F153 HydrophobicContact CD2-CD2 4.28Å; Y128-F153 HydrophobicContact CD2-CE2 4.47Å; Y128-F153 HydrophobicContact CE1-CD2 4.29Å; Y128-F153 AromaticContact CE1-CE2 3.59Å; Y128-F153 HydrophobicContact CE1-CE2 3.59Å; Y128-F153 AromaticContact CG-CD2 3.72Å; Y128-F153 HydrophobicContact CG-CD2 3.72Å; Y128-F153 AromaticContact CG-CE2 3.87Å; Y128-F153 HydrophobicContact CG-CE2 3.87Å; C151-F153 PolarHBondContact O-N 2.87Å; C151-F153 PolarHBondContact SG-N 3.27Å; C151-F153 VanDerWaalsContact SG-N 3.45Å; C151-F153 PolarHBondContact SG-O 3.11Å; F153-R157 HydrophobicContact CB-CB 4.3Å; F153-R157 HydrophobicContact CD1-CB 4.21Å; F153-R157 HydrophobicContact CG-CB 4.5Å; F153-K158 HydrophobicContact CB-CG 4.26Å |
| 154 | P | 56.5 | Low | 58.9 | Low | 61 Ų | 61 | 96.9 Ų | 96.9 | 40% | 0.396 | 50% | 0.504 | S | S | . | . | trans | -68 | 144.2 | 169 | 28.8 | -30.1 | 0 | 0 | 0 | 109.3 | V144 Y152 | V144-P154 HydrophobicContact CG1-CG 4.19Å; Y152-P154 VanDerWaalsContact C-CD 3.4Å; Y152-P154 WeakPolarHBondContact O-CD 3.38Å | ||
| 155 | E | 54.5 | Low | 58.3 | Low | 193 Ų | 193 | 98.1 Ų | 98.1 | 90% | 0.902 | 52% | 0.521 | S | S | * | . | S | Bend | trans | 73.6 | 47.5 | 173.3 | -51 | -175.6 | 161.6 | 0 | 0 | 118.2 | R157 | E155-R157 VanDerWaalsContact C-N 3.32Å; E155-R157 PolarHBondContact O-N 3.42Å; E155-R157 VanDerWaalsContact O-N 3.16Å |
| 156 | G | 49.9 | Very low | 58 | Low | 67 Ų | 67 | 94.7 Ų | 94.7 | 69% | 0.691 | 52% | 0.521 | S | S | * | . | S | Bend | trans | 74.6 | 10.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | K158 | G156-K158 PolarHBondContact O-N 3.47Š|
| 157 | R | 53.8 | Low | 57.6 | Low | 139 Ų | 139 | 95 Ų | 95 | 53% | 0.525 | 53% | 0.526 | S | S | . | . | trans | -56.4 | -19.1 | 165.1 | -76.2 | -164.5 | -145.3 | -172.8 | 5.2 | 113.1 | D93 F153 E155 K159 | D93-R157 IonicContact OD2-NH1 3.08Å; F153-R157 HydrophobicContact CB-CB 4.3Å; F153-R157 HydrophobicContact CD1-CB 4.21Å; F153-R157 HydrophobicContact CG-CB 4.5Å; E155-R157 VanDerWaalsContact C-N 3.32Å; E155-R157 PolarHBondContact O-N 3.42Å; E155-R157 VanDerWaalsContact O-N 3.16Å; R157-K159 PolarHBondContact O-N 3.04Å; R157-K159 VanDerWaalsContact O-N 3.11Å | ||
| 158 | K | 44.7 | Very low | 57.2 | Low | 88 Ų | 88 | 100.4 Ų | 100.4 | 38% | 0.383 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 89.8 | 170 | -61.4 | 179.2 | 178.9 | 176.3 | 0 | 110 | E127 C151 F153 G156 | E127-K158 WeakPolarHBondContact O-CE 3.43Å; E127-K158 PolarHBondContact O-NZ 2.93Å; C151-K158 WeakPolarHBondContact SG-CE 3.29Å; C151-K158 PolarHBondContact SG-NZ 2.85Å; F153-K158 HydrophobicContact CB-CG 4.26Å; G156-K158 PolarHBondContact O-N 3.47Å |
| 159 | K | 41.8 | Very low | 57.2 | Low | 197 Ų | 197 | 98.4 Ų | 98.4 | 86% | 0.857 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 169.5 | -7 | 142.1 | -97.5 | 167.9 | -178.3 | -175.5 | 0 | 117.2 | R157 | R157-K159 PolarHBondContact O-N 3.04Å; R157-K159 VanDerWaalsContact O-N 3.11Å |
| 160 | N | 34.3 | Very low | 57.1 | Low | 138 Ų | 138 | 91.6 Ų | 91.6 | 74% | 0.738 | 51% | 0.509 | S | S | * | . | trans | -109.3 | 107.6 | -174.7 | -83.8 | 2.9 | 0 | 0 | 0 | 112.5 | A162 | N160-A162 HydrophobicContact CB-CB 3.56Å; N160-A162 PolarHBondContact O-N 3.16Å | ||
| 161 | N | 35.7 | Very low | 57.1 | Low | 173 Ų | 173 | 91.1 Ų | 91.1 | 93% | 0.925 | 51% | 0.512 | S | S | * | . | trans | -55.4 | 32.1 | 139.3 | -83.4 | -15.9 | 0 | 0 | 0 | 111.6 | T163 | N161-T163 PolarHBondContact O-N 3.39Š| ||
| 162 | A | 32.6 | Very low | 57.1 | Low | 61 Ų | 61 | 94.1 Ų | 94.1 | 50% | 0.504 | 52% | 0.522 | S | S | . | . | trans | -73.8 | 88.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | N160 | N160-A162 HydrophobicContact CB-CB 3.56Å; N160-A162 PolarHBondContact O-N 3.16Å | ||
| 163 | T | 36.3 | Very low | 57.1 | Low | 112 Ų | 112 | 98.1 Ų | 98.1 | 69% | 0.687 | 54% | 0.538 | S | S | * | . | 43.7 | 109 | 118.5 | 45 | 0 | 0 | 0 | 0 | 111.5 | N161 A165 | N161-T163 PolarHBondContact O-N 3.39Å; T163-A165 VanDerWaalsContact C-N 3.33Å; T163-A165 PolarHBondContact O-N 3.09Å | |||
| 164 | S | 41.8 | Very low | 57.3 | Low | 81 Ų | 81 | 97 Ų | 97 | 57% | 0.566 | 53% | 0.533 | S | S | * | . | trans | -4.4 | 95.6 | 141 | -56.5 | 0 | 0 | 0 | 0 | 109.5 | S166 | S164-S166 PolarHBondContact O-N 2.99Š| ||
| 165 | A | 43.3 | Very low | 58.6 | Low | 84 Ų | 84 | 98.3 Ų | 98.3 | 69% | 0.694 | 53% | 0.533 | S | S | * | . | trans | -60.8 | 93.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 101.2 | T163 V167 | T163-A165 VanDerWaalsContact C-N 3.33Å; T163-A165 PolarHBondContact O-N 3.09Å; A165-V167 PolarHBondContact O-N 3.34Å | ||
| 166 | S | 53.1 | Low | 60.1 | Low | 87 Ų | 87 | 93.4 Ų | 93.4 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | trans | -57.5 | 101.2 | -174 | 49 | 0 | 0 | 0 | 0 | 103.3 | S164 K168 | S164-S166 PolarHBondContact O-N 2.99Å; S166-K168 PolarHBondContact O-N 3.32Å | ||
| 167 | V | 62.6 | Low | 61.7 | Low | 39 Ų | 39 | 91.2 Ų | 91.2 | 24% | 0.236 | 48% | 0.482 | C | S | . | . | trans | -60.3 | 119.9 | -174.6 | -173.1 | 0 | 0 | 0 | 0 | 103.7 | A165 I169 Y195 P196 | A165-V167 PolarHBondContact O-N 3.34Å; V167-I169 WeakPolarHBondContact O-CG1 3.33Å; V167-I169 PolarHBondContact O-N 2.95Å; V167-Y195 HydrophobicContact CB-CD1 4.23Å; V167-Y195 HydrophobicContact CB-CE1 4.21Å; V167-Y195 HydrophobicContact CG1-CD1 3.47Å; V167-Y195 VanDerWaalsContact CG1-CD1 3.47Å; V167-Y195 HydrophobicContact CG1-CE1 3.31Å; V167-Y195 HydrophobicContact CG1-CG 4.49Å; V167-P196 HydrophobicContact CG2-CG 4.33Å | ||
| 168 | K | 68.1 | Low | 63.1 | Low | 155 Ų | 155 | 84.6 Ų | 84.6 | 67% | 0.674 | 46% | 0.457 | S | S | * | . | trans | -65.4 | 104.6 | -174.5 | -70.3 | -173.9 | 177.9 | -176 | 0 | 107.7 | S166 D170 Y173 | S166-K168 PolarHBondContact O-N 3.32Å; K168-D170 VanDerWaalsContact C-N 3.27Å; K168-D170 PolarHBondContact O-N 3.18Å; K168-Y173 WeakPolarHBondContact O-CD1 3.36Å | ||
| 169 | I | 77.4 | Confident | 64.9 | Low | 28 Ų | 28 | 84.1 Ų | 84.1 | 14% | 0.144 | 46% | 0.459 | C | S | . | . | trans | -92.4 | 72.2 | 170.1 | -51.2 | 178.7 | 0 | 0 | 0 | 106.3 | V167 Y195 M231 L234 K235 Q238 | V167-I169 WeakPolarHBondContact O-CG1 3.33Å; V167-I169 PolarHBondContact O-N 2.95Å; I169-Y195 HydrophobicContact CG1-CE1 4.25Å; I169-M231 HydrophobicContact CG2-CE 3.64Å; I169-M231 HydrophobicContact CG2-SD 3.88Å; I169-M231 WeakPolarHBondContact O-CE 3.35Å; I169-L234 HydrophobicContact CD1-CB 4.28Å; I169-L234 HydrophobicContact CG2-CB 3.91Å; I169-L234 HydrophobicContact CG2-CD1 4.44Å; I169-K235 HydrophobicContact CD1-CG 4.46Å; I169-K235 HydrophobicContact CG2-CG 4.16Å; I169-Q238 HydrophobicContact CD1-CB 4.04Å | ||
| 170 | D | 81.7 | Confident | 66.9 | Low | 79 Ų | 79 | 81.2 Ų | 81.2 | 42% | 0.422 | 45% | 0.453 | S | S | . | . | trans | -106.4 | 130.9 | 176.1 | -173.5 | -25.2 | 0 | 0 | 0 | 108.2 | K168 E172 Y173 V174 | K168-D170 VanDerWaalsContact C-N 3.27Å; K168-D170 PolarHBondContact O-N 3.18Å; D170-E172 PolarHBondContact O-N 3.06Å; D170-E172 PolarHBondContact OD1-N 2.68Å; D170-E172 VanDerWaalsContact OD1-N 3.11Å; D170-Y173 PolarHBondContact O-N 2.82Å; D170-Y173 VanDerWaalsContact O-N 3.12Å; D170-V174 WeakPolarHBondContact O-CG2 3.38Å; D170-V174 PolarHBondContact O-N 2.9Å | ||
| 171 | P | 82.2 | Confident | 69 | Low | 66 Ų | 66 | 75.2 Ų | 75.2 | 43% | 0.429 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -51.5 | -37.6 | 177.7 | 21.6 | -35.4 | 0 | 0 | 0 | 113.2 | K175 L227 M231 | P171-K175 WeakPolarHBondContact O-CB 3.47Å; P171-K175 PolarHBondContact O-N 2.96Å; P171-L227 HydrophobicContact CB-CD2 4.47Å; P171-M231 HydrophobicContact CB-CE 4.28Å |
| 172 | E | 84.1 | Confident | 71 | Confident | 101 Ų | 101 | 72.5 Ų | 72.5 | 47% | 0.472 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -70 | -40.3 | -178.8 | -172.5 | 55.6 | -148.5 | 0 | 0 | 111.3 | D170 K175 Q176 | D170-E172 PolarHBondContact O-N 3.06Å; D170-E172 PolarHBondContact OD1-N 2.68Å; D170-E172 VanDerWaalsContact OD1-N 3.11Å; E172-K175 PolarHBondContact O-N 3.24Å; E172-Q176 WeakPolarHBondContact O-CB 3.38Å; E172-Q176 VanDerWaalsContact O-CG 3.26Å; E172-Q176 WeakPolarHBondContact O-CG 3.21Å; E172-Q176 PolarHBondContact O-N 2.99Å; E172-Q176 PolarHBondContact OE1-NE2 2.88Å; E172-Q176 VanDerWaalsContact OE1-NE2 3.16Å |
| 173 | Y | 85 | Confident | 72.7 | Confident | 88 Ų | 88 | 72.2 Ų | 72.2 | 35% | 0.345 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 176.5 | -179.5 | -105.2 | 0 | 0 | 0 | 112.2 | K168 D170 K175 Q176 L177 | K168-Y173 WeakPolarHBondContact O-CD1 3.36Å; D170-Y173 PolarHBondContact O-N 2.82Å; D170-Y173 VanDerWaalsContact O-N 3.12Å; Y173-K175 VanDerWaalsContact C-N 3.32Å; Y173-K175 PolarHBondContact O-N 2.99Å; Y173-Q176 PolarHBondContact O-N 3.2Å; Y173-L177 HydrophobicContact CE1-CD1 4.22Å; Y173-L177 WeakPolarHBondContact O-CB 3.44Å; Y173-L177 PolarHBondContact O-N 3.45Å |
| 174 | V | 83.9 | Confident | 74.6 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 178.7 | 175 | 0 | 0 | 0 | 0 | 110.8 | D170 L177 I178 Y195 L227 L230 M231 L234 | D170-V174 WeakPolarHBondContact O-CG2 3.38Å; D170-V174 PolarHBondContact O-N 2.9Å; V174-L177 VanDerWaalsContact O-CB 3.28Å; V174-L177 WeakPolarHBondContact O-CB 3.41Å; V174-L177 PolarHBondContact O-N 3.49Å; V174-I178 HydrophobicContact CG1-CD1 4.13Å; V174-I178 WeakPolarHBondContact O-CG1 3.47Å; V174-I178 PolarHBondContact O-N 3.43Å; V174-I178 VanDerWaalsContact O-N 3.13Å; V174-Y195 WeakPolarHBondContact CG2-OH 2.88Å; V174-L227 HydrophobicContact CB-CD1 4.4Å; V174-L227 HydrophobicContact CG1-CD1 4.03Å; V174-L230 HydrophobicContact CG1-CD2 3.68Å; V174-L230 HydrophobicContact CG1-CG 4.35Å; V174-M231 HydrophobicContact CB-SD 4.11Å; V174-M231 HydrophobicContact CG2-SD 3.67Å; V174-L234 HydrophobicContact CG1-CD1 4.25Å; V174-L234 HydrophobicContact CG2-CD1 3.74Å |
| 175 | K | 84.8 | Confident | 76.5 | Confident | 88 Ų | 88 | 73.6 Ų | 73.6 | 38% | 0.383 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63 | -48.2 | 174.6 | -170.9 | -179.9 | 177 | -173.4 | 0 | 111.5 | P171 E172 Y173 L177 I178 D179 L221 | P171-K175 WeakPolarHBondContact O-CB 3.47Å; P171-K175 PolarHBondContact O-N 2.96Å; E172-K175 PolarHBondContact O-N 3.24Å; Y173-K175 VanDerWaalsContact C-N 3.32Å; Y173-K175 PolarHBondContact O-N 2.99Å; K175-L177 VanDerWaalsContact C-N 3.27Å; K175-L177 PolarHBondContact O-N 2.88Å; K175-I178 PolarHBondContact O-N 3.21Å; K175-I178 VanDerWaalsContact O-N 3.08Å; K175-D179 PolarHBondContact O-N 3.14Å; K175-L221 HydrophobicContact CG-CD1 4.27Å; K175-L221 HydrophobicContact CG-CD2 4.31Å |
| 176 | Q | 84.7 | Confident | 78.5 | Confident | 91 Ų | 91 | 73 Ų | 73 | 43% | 0.425 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.5 | -36.7 | 174.9 | -72.1 | 173.5 | 13.3 | 0 | 0 | 112.7 | E172 Y173 I178 D179 N180 | E172-Q176 WeakPolarHBondContact O-CB 3.38Å; E172-Q176 VanDerWaalsContact O-CG 3.26Å; E172-Q176 WeakPolarHBondContact O-CG 3.21Å; E172-Q176 PolarHBondContact O-N 2.99Å; E172-Q176 PolarHBondContact OE1-NE2 2.88Å; E172-Q176 VanDerWaalsContact OE1-NE2 3.16Å; Y173-Q176 PolarHBondContact O-N 3.2Å; Q176-I178 VanDerWaalsContact C-N 3.3Å; Q176-I178 PolarHBondContact O-N 3.46Å; Q176-D179 PolarHBondContact O-N 3.42Å; Q176-N180 VanDerWaalsContact O-CB 3.27Å; Q176-N180 WeakPolarHBondContact O-CB 3.43Å; Q176-N180 PolarHBondContact O-N 2.83Å; Q176-N180 PolarHBondContact O-ND2 3.01Å; Q176-N180 VanDerWaalsContact O-ND2 3.09Å |
| 177 | L | 84.2 | Confident | 80 | Confident | 20 Ų | 20 | 68.8 Ų | 68.8 | 11% | 0.105 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 175.4 | -158.3 | 84.2 | 0 | 0 | 0 | 111.8 | Y173 V174 K175 V190 L191 K194 Y195 | Y173-L177 HydrophobicContact CE1-CD1 4.22Å; Y173-L177 WeakPolarHBondContact O-CB 3.44Å; Y173-L177 PolarHBondContact O-N 3.45Å; V174-L177 VanDerWaalsContact O-CB 3.28Å; V174-L177 WeakPolarHBondContact O-CB 3.41Å; V174-L177 PolarHBondContact O-N 3.49Å; K175-L177 VanDerWaalsContact C-N 3.27Å; K175-L177 PolarHBondContact O-N 2.88Å; L177-V190 HydrophobicContact CD2-CG1 3.68Å; L177-V190 HydrophobicContact CG-CG1 3.86Å; L177-L191 HydrophobicContact CD2-CD2 4.09Å; L177-K194 HydrophobicContact CD1-CB 4.24Å; L177-K194 HydrophobicContact CD1-CD 4.06Å; L177-K194 HydrophobicContact CD1-CG 3.7Å; L177-K194 HydrophobicContact CD2-CB 4.41Å; L177-K194 HydrophobicContact CD2-CG 4.38Å; L177-K194 HydrophobicContact CG-CG 4.47Å; L177-Y195 HydrophobicContact CD2-CE2 4.23Å |
| 178 | I | 83.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -75.2 | -42.9 | -179.7 | -67 | 167.3 | 0 | 0 | 0 | 110.5 | V174 K175 Q176 N180 S181 A217 K218 L221 L230 | V174-I178 HydrophobicContact CG1-CD1 4.13Å; V174-I178 WeakPolarHBondContact O-CG1 3.47Å; V174-I178 PolarHBondContact O-N 3.43Å; V174-I178 VanDerWaalsContact O-N 3.13Å; K175-I178 PolarHBondContact O-N 3.21Å; K175-I178 VanDerWaalsContact O-N 3.08Å; Q176-I178 VanDerWaalsContact C-N 3.3Å; Q176-I178 PolarHBondContact O-N 3.46Å; I178-N180 VanDerWaalsContact C-N 3.33Å; I178-N180 PolarHBondContact O-N 3.08Å; I178-S181 WeakPolarHBondContact O-CB 3.48Å; I178-S181 PolarHBondContact O-N 2.92Å; I178-S181 VanDerWaalsContact O-N 3.09Å; I178-S181 PolarHBondContact O-OG 3.19Å; I178-A217 VanDerWaalsContact CG2-C 3.47Å; I178-A217 HydrophobicContact CG2-CB 4.11Å; I178-A217 VanDerWaalsContact CG2-O 3.23Å; I178-A217 WeakPolarHBondContact CG2-O 3.38Å; I178-K218 HydrophobicContact CG2-CG 4.44Å; I178-L221 HydrophobicContact CB-CD1 4.13Å; I178-L221 HydrophobicContact CD1-CD2 4.16Å; I178-L221 HydrophobicContact CD1-CG 4.33Å; I178-L221 HydrophobicContact CG2-CD1 3.6Å; I178-L221 HydrophobicContact CG2-CG 3.93Å; I178-L230 HydrophobicContact CD1-CD2 3.75Å |
| 179 | D | 82.8 | Confident | 81.9 | Confident | 78 Ų | 78 | 70 Ų | 70 | 42% | 0.417 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.8 | -39.4 | -179.3 | -75.8 | -24.2 | 0 | 0 | 0 | 112.1 | K175 Q176 S181 K218 | K175-D179 PolarHBondContact O-N 3.14Å; Q176-D179 PolarHBondContact O-N 3.42Å; D179-S181 PolarHBondContact O-N 3.31Å; D179-K218 PolarHBondContact O-NZ 3.36Å |
| 180 | N | 82.2 | Confident | 82.3 | Confident | 137 Ų | 137 | 69.4 Ų | 69.4 | 73% | 0.733 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -8.3 | 176.2 | -70.2 | -27.5 | 0 | 0 | 0 | 113.9 | Q176 I178 | Q176-N180 VanDerWaalsContact O-CB 3.27Å; Q176-N180 WeakPolarHBondContact O-CB 3.43Å; Q176-N180 PolarHBondContact O-N 2.83Å; Q176-N180 PolarHBondContact O-ND2 3.01Å; Q176-N180 VanDerWaalsContact O-ND2 3.09Å; I178-N180 VanDerWaalsContact C-N 3.33Å; I178-N180 PolarHBondContact O-N 3.08Å |
| 181 | S | 80 | Confident | 82.5 | Confident | 12 Ų | 12 | 65.6 Ų | 65.6 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -76.5 | 146.7 | 177.3 | 74.9 | 0 | 0 | 0 | 0 | 111.4 | I178 D179 K218 | I178-S181 WeakPolarHBondContact O-CB 3.48Å; I178-S181 PolarHBondContact O-N 2.92Å; I178-S181 VanDerWaalsContact O-N 3.09Å; I178-S181 PolarHBondContact O-OG 3.19Å; D179-S181 PolarHBondContact O-N 3.31Å; S181-K218 WeakPolarHBondContact O-CE 3.42Å; S181-K218 PolarHBondContact O-NZ 2.92Å |
| 182 | N | 77.5 | Confident | 82.6 | Confident | 116 Ų | 116 | 64.7 Ų | 64.7 | 62% | 0.62 | 33% | 0.332 | S | S | * | . | trans | -64.9 | 143.5 | 173.3 | -70.8 | -32.8 | 0 | 0 | 0 | 109 | K184 D185 | N182-K184 PolarHBondContact O-N 2.65Å; N182-D185 PolarHBondContact N-OD2 2.71Å; N182-D185 PolarHBondContact O-N 2.65Å | ||
| 183 | G | 68.3 | Low | 82.5 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 57% | 0.567 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -10.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 184 | K | 75.4 | Confident | 82.4 | Confident | 195 Ų | 195 | 65.6 Ų | 65.6 | 85% | 0.848 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -7.3 | 175.4 | -64.4 | -175 | 179.3 | -179.3 | 0 | 114.2 | N182 | N182-K184 PolarHBondContact O-N 2.65Š|
| 185 | D | 81.5 | Confident | 82.3 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 14% | 0.144 | 35% | 0.348 | C | S | . | . | trans | -79.8 | 126.9 | -177.3 | -72.3 | -34.1 | 0 | 0 | 0 | 110.8 | N182 K189 V190 A217 | N182-D185 PolarHBondContact N-OD2 2.71Å; N182-D185 PolarHBondContact O-N 2.65Å; D185-K189 WeakPolarHBondContact OD1-CD 3.37Å; D185-K189 IonicContact OD1-NZ 2.84Å; D185-K189 PolarHBondContact OD1-NZ 3.09Å; D185-V190 HydrophobicContact CB-CG2 4.01Å; D185-A217 PolarHBondContact O-N 3.07Å | ||
| 186 | N | 86.1 | Confident | 82.1 | Confident | 70 Ų | 70 | 63.5 Ų | 63.5 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -73.6 | 152.2 | 174.1 | -65 | -17 | 0 | 0 | 0 | 110.4 | Q188 K189 V190 | N186-Q188 PolarHBondContact O-N 3.28Å; N186-Q188 VanDerWaalsContact O-N 3.07Å; N186-K189 PolarHBondContact O-N 3.33Å; N186-V190 PolarHBondContact O-N 3.28Å |
| 187 | L | 84.9 | Confident | 82 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -49.6 | -38.7 | 176.1 | -171.8 | 64.4 | 0 | 0 | 0 | 112.4 | K189 V190 L191 V211 W213 W215 V220 L230 | L187-K189 PolarHBondContact O-N 2.93Å; L187-V190 PolarHBondContact O-N 3.1Å; L187-L191 HydrophobicContact CD1-CD1 3.7Å; L187-L191 HydrophobicContact CD1-CG 3.9Å; L187-L191 HydrophobicContact CD2-CD1 4.17Å; L187-L191 HydrophobicContact CG-CD1 3.65Å; L187-L191 HydrophobicContact CG-CG 4.16Å; L187-L191 WeakPolarHBondContact O-CG 3.47Å; L187-L191 PolarHBondContact O-N 3.38Å; L187-V211 HydrophobicContact CD2-CG1 3.74Å; L187-W213 HydrophobicContact CD2-CE3 4.47Å; L187-W215 PolarHBondContact N-O 3.45Å; L187-V220 HydrophobicContact CD1-CG2 4.12Å; L187-V220 HydrophobicContact CD2-CG2 4.07Å; L187-L230 HydrophobicContact CD1-CD2 4.36Å; L187-L230 HydrophobicContact CD2-CD1 4.4Å |
| 188 | Q | 85.1 | Confident | 81.9 | Confident | 88 Ų | 88 | 59.9 Ų | 59.9 | 41% | 0.411 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -49.5 | -51 | 173.6 | 177 | 177 | 6.2 | 0 | 0 | 113.6 | N186 A192 W213 | N186-Q188 PolarHBondContact O-N 3.28Å; N186-Q188 VanDerWaalsContact O-N 3.07Å; Q188-A192 WeakPolarHBondContact O-CB 3.39Å; Q188-A192 PolarHBondContact O-N 3.01Å; Q188-W213 VanDerWaalsContact CA-CZ2 3.47Å; Q188-W213 HydrophobicContact CB-CD2 4.18Å; Q188-W213 HydrophobicContact CB-CZ2 3.75Å; Q188-W213 HydrophobicContact CG-CZ2 3.68Å |
| 189 | K | 84.8 | Confident | 82 | Confident | 132 Ų | 132 | 62.6 Ų | 62.6 | 57% | 0.574 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -71.6 | -38.6 | -173.3 | -175.4 | 179.8 | 168.3 | -162.1 | 0 | 110.9 | D185 N186 L187 S193 | D185-K189 WeakPolarHBondContact OD1-CD 3.37Å; D185-K189 IonicContact OD1-NZ 2.84Å; D185-K189 PolarHBondContact OD1-NZ 3.09Å; N186-K189 PolarHBondContact O-N 3.33Å; L187-K189 PolarHBondContact O-N 2.93Å; K189-S193 WeakPolarHBondContact O-CB 3.3Å; K189-S193 PolarHBondContact O-N 3.03Å |
| 190 | V | 85.9 | Confident | 82.2 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 9% | 0.085 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.7 | -51.3 | -179.7 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | L177 D185 N186 L187 A217 | L177-V190 HydrophobicContact CD2-CG1 3.68Å; L177-V190 HydrophobicContact CG-CG1 3.86Å; D185-V190 HydrophobicContact CB-CG2 4.01Å; N186-V190 PolarHBondContact O-N 3.28Å; L187-V190 PolarHBondContact O-N 3.1Å; V190-A217 HydrophobicContact CG2-CB 3.87Å |
| 191 | L | 85.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -73.3 | -44.3 | -176.5 | -63.7 | 179.5 | 0 | 0 | 0 | 112.7 | L177 L187 S193 K194 Y195 L202 W213 L230 L234 | L177-L191 HydrophobicContact CD2-CD2 4.09Å; L187-L191 HydrophobicContact CD1-CD1 3.7Å; L187-L191 HydrophobicContact CD1-CG 3.9Å; L187-L191 HydrophobicContact CD2-CD1 4.17Å; L187-L191 HydrophobicContact CG-CD1 3.65Å; L187-L191 HydrophobicContact CG-CG 4.16Å; L187-L191 WeakPolarHBondContact O-CG 3.47Å; L187-L191 PolarHBondContact O-N 3.38Å; L191-S193 PolarHBondContact O-N 2.97Å; L191-K194 PolarHBondContact O-N 3.12Å; L191-Y195 HydrophobicContact CB-CD2 4.39Å; L191-Y195 HydrophobicContact CD2-CD2 3.99Å; L191-Y195 HydrophobicContact CD2-CE2 3.83Å; L191-Y195 PolarHBondContact O-N 3.42Å; L191-L202 HydrophobicContact CB-CD1 4.16Å; L191-W213 HydrophobicContact CB-CH2 4.29Å; L191-W213 HydrophobicContact CD1-CH2 4.39Å; L191-W213 HydrophobicContact CD1-CZ3 3.86Å; L191-L230 HydrophobicContact CD1-CD1 3.91Å; L191-L234 HydrophobicContact CD2-CD2 4.4Å |
| 192 | A | 83.5 | Confident | 82.9 | Confident | 46 Ų | 46 | 53.1 Ų | 53.1 | 38% | 0.38 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.5 | -22.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q188 K194 | Q188-A192 WeakPolarHBondContact O-CB 3.39Å; Q188-A192 PolarHBondContact O-N 3.01Å; A192-K194 VanDerWaalsContact C-N 3.32Å |
| 193 | S | 81.7 | Confident | 83.5 | Confident | 91 Ų | 91 | 50 Ų | 50 | 64% | 0.636 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -18.8 | 175.2 | -178.1 | 0 | 0 | 0 | 0 | 113.5 | K189 L191 | K189-S193 WeakPolarHBondContact O-CB 3.3Å; K189-S193 PolarHBondContact O-N 3.03Å; L191-S193 PolarHBondContact O-N 2.97Å |
| 194 | K | 83.2 | Confident | 84.5 | Confident | 117 Ų | 117 | 47.5 Ų | 47.5 | 51% | 0.509 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -32 | -166.7 | -65.3 | -73.9 | -177.7 | -171.7 | 0 | 112.8 | L177 L191 A192 | L177-K194 HydrophobicContact CD1-CB 4.24Å; L177-K194 HydrophobicContact CD1-CD 4.06Å; L177-K194 HydrophobicContact CD1-CG 3.7Å; L177-K194 HydrophobicContact CD2-CB 4.41Å; L177-K194 HydrophobicContact CD2-CG 4.38Å; L177-K194 HydrophobicContact CG-CG 4.47Å; L191-K194 PolarHBondContact O-N 3.12Å; A192-K194 VanDerWaalsContact C-N 3.32Å |
| 195 | Y | 83.4 | Confident | 85.3 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 2% | 0.02 | 22% | 0.218 | C | C | . | . | trans | -103.1 | 129.6 | 177.4 | -66.5 | -84.7 | 0 | 0 | 0 | 110.8 | V167 I169 V174 L177 L191 Y197 L234 | V167-Y195 HydrophobicContact CB-CD1 4.23Å; V167-Y195 HydrophobicContact CB-CE1 4.21Å; V167-Y195 HydrophobicContact CG1-CD1 3.47Å; V167-Y195 VanDerWaalsContact CG1-CD1 3.47Å; V167-Y195 HydrophobicContact CG1-CE1 3.31Å; V167-Y195 HydrophobicContact CG1-CG 4.49Å; I169-Y195 HydrophobicContact CG1-CE1 4.25Å; V174-Y195 WeakPolarHBondContact CG2-OH 2.88Å; L177-Y195 HydrophobicContact CD2-CE2 4.23Å; L191-Y195 HydrophobicContact CB-CD2 4.39Å; L191-Y195 HydrophobicContact CD2-CD2 3.99Å; L191-Y195 HydrophobicContact CD2-CE2 3.83Å; L191-Y195 PolarHBondContact O-N 3.42Å; Y195-Y197 HydrophobicContact CD1-CD2 4.22Å; Y195-Y197 AromaticContact CD1-CE2 3.5Å; Y195-Y197 HydrophobicContact CD1-CE2 3.5Å; Y195-Y197 HydrophobicContact CE1-CE2 4.4Å; Y195-Y197 HydrophobicContact CG-CD2 4.32Å; Y195-Y197 HydrophobicContact CG-CE2 4.04Å; Y195-Y197 PolarHBondContact O-N 3.36Å; Y195-L234 HydrophobicContact CD1-CD2 4.33Å; Y195-L234 HydrophobicContact CD2-CD2 4.09Å; Y195-L234 HydrophobicContact CE1-CD2 4.27Å; Y195-L234 HydrophobicContact CE2-CD1 4.24Å; Y195-L234 HydrophobicContact CE2-CD2 4.03Å; Y195-L234 HydrophobicContact CG-CD2 4.26Å | ||
| 196 | P | 79.3 | Confident | 85.7 | Confident | 40 Ų | 40 | 37 Ų | 37 | 26% | 0.26 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 4.2 | -176.6 | 32.7 | -36.1 | 0 | 0 | 0 | 113.9 | Q94 V167 G198 | Q94-P196 VanDerWaalsContact OE1-CB 3.29Å; V167-P196 HydrophobicContact CG2-CG 4.33Å; P196-G198 PolarHBondContact O-N 2.68Å |
| 197 | Y | 82.2 | Confident | 85.8 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.9 | -171.8 | -51.5 | -36.5 | 0 | 0 | 0 | 114.1 | I8 Y195 L202 Q238 Y241 | I8-Y197 VanDerWaalsContact CD1-O 3.31Å; I8-Y197 WeakPolarHBondContact CD1-O 3.48Å; Y195-Y197 HydrophobicContact CD1-CD2 4.22Å; Y195-Y197 AromaticContact CD1-CE2 3.5Å; Y195-Y197 HydrophobicContact CD1-CE2 3.5Å; Y195-Y197 HydrophobicContact CE1-CE2 4.4Å; Y195-Y197 HydrophobicContact CG-CD2 4.32Å; Y195-Y197 HydrophobicContact CG-CE2 4.04Å; Y195-Y197 PolarHBondContact O-N 3.36Å; Y197-L202 HydrophobicContact CD2-CD2 3.82Å; Y197-L202 HydrophobicContact CD2-CG 4.49Å; Y197-Q238 HydrophobicContact CE1-CB 4.37Å; Y197-Y241 HydrophobicContact CD1-CD1 4.05Å; Y197-Y241 AromaticContact CD1-CD2 3.86Å; Y197-Y241 HydrophobicContact CD1-CD2 3.86Å; Y197-Y241 HydrophobicContact CD1-CE2 4.3Å; Y197-Y241 AromaticContact CD1-CG 3.69Å; Y197-Y241 HydrophobicContact CD1-CG 3.69Å; Y197-Y241 HydrophobicContact CE1-CD1 4.34Å; Y197-Y241 HydrophobicContact CE1-CG 4.34Å |
| 198 | G | 82.2 | Confident | 86 | Confident | 28 Ų | 28 | 45.1 Ų | 45.1 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | trans | 85 | 150.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P196 A200 L201 L202 | P196-G198 PolarHBondContact O-N 2.68Å; G198-A200 PolarHBondContact O-N 3.09Å; G198-L201 PolarHBondContact O-N 3.36Å; G198-L202 WeakPolarHBondContact O-CG 3.35Å; G198-L202 PolarHBondContact O-N 3.48Å | ||
| 199 | S | 87.1 | Confident | 86.1 | Confident | 57 Ų | 57 | 43.6 Ų | 43.6 | 40% | 0.399 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.4 | -38 | -171.5 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | E203 | S199-E203 VanDerWaalsContact O-CB 3.29Å; S199-E203 WeakPolarHBondContact O-CB 3.47Å; S199-E203 PolarHBondContact O-N 3.33Å |
| 200 | A | 86.9 | Confident | 86.1 | Confident | 26 Ų | 26 | 44.1 Ų | 44.1 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.2 | -39.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G198 H204 F277 Q279 | G198-A200 PolarHBondContact O-N 3.09Å; A200-H204 WeakPolarHBondContact O-CB 3.36Å; A200-H204 PolarHBondContact O-N 3.23Å; A200-F277 HydrophobicContact CB-CD2 4.29Å; A200-F277 HydrophobicContact CB-CE1 4.24Å; A200-F277 HydrophobicContact CB-CE2 3.93Å; A200-F277 HydrophobicContact CB-CZ 3.89Å; A200-Q279 PolarHBondContact O-NE2 3.38Å |
| 201 | L | 87.7 | Confident | 86 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.9 | -40.8 | 178.2 | -178.1 | 60.8 | 0 | 0 | 0 | 111.7 | I8 G198 H204 C205 L240 Y241 F277 | I8-L201 HydrophobicContact CD1-CB 3.68Å; I8-L201 HydrophobicContact CD1-CD2 4.38Å; G198-L201 PolarHBondContact O-N 3.36Å; L201-H204 WeakPolarHBondContact O-CB 3.31Å; L201-H204 PolarHBondContact O-N 2.82Å; L201-C205 PolarHBondContact O-N 2.94Å; L201-C205 VanDerWaalsContact O-N 3.08Å; L201-C205 PolarHBondContact O-SG 2.82Å; L201-L240 HydrophobicContact CD1-CB 3.89Å; L201-L240 HydrophobicContact CD1-CD1 3.9Å; L201-L240 HydrophobicContact CD2-CB 4.46Å; L201-Y241 HydrophobicContact CD2-CD2 4.21Å; L201-F277 HydrophobicContact CB-CE1 4.26Å; L201-F277 HydrophobicContact CD1-CE1 4.3Å |
| 202 | L | 89.3 | Confident | 86 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 173.8 | -74.5 | 167.8 | 0 | 0 | 0 | 111.4 | L191 Y197 G198 H204 C205 C206 W213 L234 | L191-L202 HydrophobicContact CB-CD1 4.16Å; Y197-L202 HydrophobicContact CD2-CD2 3.82Å; Y197-L202 HydrophobicContact CD2-CG 4.49Å; G198-L202 WeakPolarHBondContact O-CG 3.35Å; G198-L202 PolarHBondContact O-N 3.48Å; L202-H204 VanDerWaalsContact C-N 3.32Å; L202-H204 PolarHBondContact O-N 3.22Å; L202-C205 PolarHBondContact O-N 3.4Å; L202-C206 WeakPolarHBondContact O-CB 3.49Å; L202-C206 PolarHBondContact O-N 3.08Å; L202-C206 PolarHBondContact O-SG 3.47Å; L202-W213 HydrophobicContact CB-CH2 3.3Å; L202-W213 HydrophobicContact CB-CZ2 4.1Å; L202-W213 HydrophobicContact CB-CZ3 3.64Å; L202-W213 HydrophobicContact CD1-CH2 3.92Å; L202-W213 HydrophobicContact CG-CH2 4.2Å; L202-L234 HydrophobicContact CD2-CD2 3.9Å |
| 203 | E | 89.8 | Confident | 86 | Confident | 51 Ų | 51 | 44.6 Ų | 44.6 | 24% | 0.238 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -42.6 | 176.1 | 179.7 | 173.8 | -171.7 | 0 | 0 | 111.5 | S199 C205 C206 R207 W213 | S199-E203 VanDerWaalsContact O-CB 3.29Å; S199-E203 WeakPolarHBondContact O-CB 3.47Å; S199-E203 PolarHBondContact O-N 3.33Å; E203-C205 VanDerWaalsContact C-N 3.35Å; E203-C205 PolarHBondContact O-N 3.02Å; E203-C206 PolarHBondContact O-N 2.9Å; E203-R207 VanDerWaalsContact O-CB 3.24Å; E203-R207 WeakPolarHBondContact O-CB 3.4Å; E203-R207 PolarHBondContact O-N 2.85Å; E203-W213 HydrophobicContact CB-CD2 3.93Å; E203-W213 HydrophobicContact CB-CE3 4.42Å; E203-W213 HydrophobicContact CB-CG 3.97Å; E203-W213 HydrophobicContact CG-CB 4Å; E203-W213 HydrophobicContact CG-CD2 4.36Å; E203-W213 HydrophobicContact CG-CG 3.87Å |
| 204 | H | 89.6 | Confident | 86.1 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.8 | -48.2 | 177.2 | 172.9 | 56.6 | 0 | 0 | 0 | 112.4 | A200 L201 L202 K208 F275 F277 A278 | A200-H204 WeakPolarHBondContact O-CB 3.36Å; A200-H204 PolarHBondContact O-N 3.23Å; L201-H204 WeakPolarHBondContact O-CB 3.31Å; L201-H204 PolarHBondContact O-N 2.82Å; L202-H204 VanDerWaalsContact C-N 3.32Å; L202-H204 PolarHBondContact O-N 3.22Å; H204-K208 WeakPolarHBondContact CE1-CE 3.25Å; H204-K208 PolarHBondContact CE1-NZ 3.07Å; H204-K208 VanDerWaalsContact CE1-NZ 3.35Å; H204-K208 VanDerWaalsContact NE2-CE 3.33Å; H204-K208 WeakPolarHBondContact NE2-CE 3.34Å; H204-K208 PolarHBondContact NE2-NZ 3.12Å; H204-K208 PolarHBondContact O-N 3.49Å; H204-K208 VanDerWaalsContact O-N 3.1Å; H204-F275 AromaticContact CD2-CE1 3.86Å; H204-F275 AromaticContact CE1-CE1 3.7Å; H204-F275 AromaticContact NE2-CE1 3.37Å; H204-F275 WeakPolarHBondContact NE2-CE1 3.45Å; H204-F275 AromaticContact NE2-CZ 3.87Å; H204-F277 HydrophobicContact CB-CB 4.4Å; H204-F277 HydrophobicContact CB-CD1 3.77Å; H204-A278 WeakPolarHBondContact ND1-CB 3.35Å; H204-A278 PolarHBondContact ND1-N 3.45Å |
| 205 | C | 90.7 | Very high | 86.1 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.5 | -39.3 | -178.1 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | L201 L202 E203 R207 K208 E209 A233 A236 S237 | L201-C205 PolarHBondContact O-N 2.94Å; L201-C205 VanDerWaalsContact O-N 3.08Å; L201-C205 PolarHBondContact O-SG 2.82Å; L202-C205 PolarHBondContact O-N 3.4Å; E203-C205 VanDerWaalsContact C-N 3.35Å; E203-C205 PolarHBondContact O-N 3.02Å; C205-R207 VanDerWaalsContact C-N 3.34Å; C205-R207 PolarHBondContact O-N 3.31Å; C205-K208 PolarHBondContact O-N 2.83Å; C205-E209 PolarHBondContact O-N 3.15Å; C205-A233 HydrophobicContact CB-CB 4.11Å; C205-A233 WeakPolarHBondContact CB-O 3.43Å; C205-A236 HydrophobicContact CB-CB 4.41Å; C205-S237 VanDerWaalsContact CB-OG 3.25Å; C205-S237 WeakPolarHBondContact CB-OG 3.35Å; C205-S237 PolarHBondContact SG-OG 3.33Å |
| 206 | C | 89.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 175 | -67.7 | 0 | 0 | 0 | 0 | 111.1 | L202 E203 K208 E209 N210 V211 W213 | L202-C206 WeakPolarHBondContact O-CB 3.49Å; L202-C206 PolarHBondContact O-N 3.08Å; L202-C206 PolarHBondContact O-SG 3.47Å; E203-C206 PolarHBondContact O-N 2.9Å; C206-K208 VanDerWaalsContact C-N 3.34Å; C206-K208 PolarHBondContact O-N 3.31Å; C206-E209 CarbonylContact O-C 3.51Å; C206-E209 PolarHBondContact O-N 3.32Å; C206-N210 PolarHBondContact O-N 2.74Å; C206-V211 CarbonylContact C-O 3.45Å; C206-V211 HydrophobicContact CB-CB 4.17Å; C206-V211 PolarHBondContact O-N 2.88Å; C206-W213 HydrophobicContact CB-CE3 4.22Å |
| 207 | R | 89.8 | Confident | 86.4 | Confident | 121 Ų | 121 | 46.4 Ų | 46.4 | 46% | 0.457 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.2 | -35.2 | 179.6 | -166.3 | 173.2 | -175.3 | 125.8 | -3 | 112.4 | E203 C205 E209 N210 | E203-R207 VanDerWaalsContact O-CB 3.24Å; E203-R207 WeakPolarHBondContact O-CB 3.4Å; E203-R207 PolarHBondContact O-N 2.85Å; C205-R207 VanDerWaalsContact C-N 3.34Å; C205-R207 PolarHBondContact O-N 3.31Å; R207-E209 VanDerWaalsContact C-N 3.32Å; R207-N210 PolarHBondContact O-N 2.91Å |
| 208 | K | 88.4 | Confident | 86.4 | Confident | 119 Ų | 119 | 50.1 Ų | 50.1 | 52% | 0.517 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63 | -36.9 | 173.4 | -85.7 | -179.5 | 160.7 | 169.3 | 0 | 112.7 | H204 C205 C206 N210 | H204-K208 WeakPolarHBondContact CE1-CE 3.25Å; H204-K208 PolarHBondContact CE1-NZ 3.07Å; H204-K208 VanDerWaalsContact CE1-NZ 3.35Å; H204-K208 VanDerWaalsContact NE2-CE 3.33Å; H204-K208 WeakPolarHBondContact NE2-CE 3.34Å; H204-K208 PolarHBondContact NE2-NZ 3.12Å; H204-K208 PolarHBondContact O-N 3.49Å; H204-K208 VanDerWaalsContact O-N 3.1Å; C205-K208 PolarHBondContact O-N 2.83Å; C206-K208 VanDerWaalsContact C-N 3.34Å; C206-K208 PolarHBondContact O-N 3.31Å; K208-N210 VanDerWaalsContact C-N 3.3Å; K208-N210 PolarHBondContact O-N 3.49Å |
| 209 | E | 87.2 | Confident | 86.5 | Confident | 57 Ų | 57 | 53.4 Ų | 53.4 | 27% | 0.266 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 18.9 | 177.1 | -61.8 | -67 | 145.2 | 0 | 0 | 112.9 | C205 C206 R207 V211 R232 A233 | C205-E209 PolarHBondContact O-N 3.15Å; C206-E209 CarbonylContact O-C 3.51Å; C206-E209 PolarHBondContact O-N 3.32Å; R207-E209 VanDerWaalsContact C-N 3.32Å; E209-V211 PolarHBondContact O-N 3.25Å; E209-R232 HydrophobicContact CG-CB 4.14Å; E209-R232 IonicContact OE2-NH1 3.69Å; E209-R232 PolarHBondContact OE2-NH1 3.49Å; E209-R232 VanDerWaalsContact OE2-NH1 3.15Å; E209-A233 HydrophobicContact CB-CB 4.33Å; E209-A233 HydrophobicContact CG-CB 4.04Å |
| 210 | N | 84.3 | Confident | 86.3 | Confident | 143 Ų | 143 | 50.7 Ų | 50.7 | 77% | 0.765 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 22.8 | 179.9 | -61.4 | -49.1 | 0 | 0 | 0 | 115.7 | C206 R207 K208 | C206-N210 PolarHBondContact O-N 2.74Å; R207-N210 PolarHBondContact O-N 2.91Å; K208-N210 VanDerWaalsContact C-N 3.3Å; K208-N210 PolarHBondContact O-N 3.49Å |
| 211 | V | 84.4 | Confident | 86 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | trans | -92.8 | 117.9 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | L187 C206 E209 W213 W215 V220 | L187-V211 HydrophobicContact CD2-CG1 3.74Å; C206-V211 CarbonylContact C-O 3.45Å; C206-V211 HydrophobicContact CB-CB 4.17Å; C206-V211 PolarHBondContact O-N 2.88Å; E209-V211 PolarHBondContact O-N 3.25Å; V211-W213 PolarHBondContact O-N 3.48Å; V211-W215 HydrophobicContact CG1-CE3 4.33Å; V211-W215 HydrophobicContact CG1-CZ3 4.34Å; V211-V220 HydrophobicContact CG1-CG1 4.31Å | ||
| 212 | S | 84.7 | Confident | 85.7 | Confident | 47 Ų | 47 | 57.7 Ų | 57.7 | 33% | 0.329 | 27% | 0.274 | S | S | . | . | trans | -73.2 | 125.2 | 178.9 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | K214 W215 | S212-K214 PolarHBondContact O-N 3.5Å; S212-K214 VanDerWaalsContact O-N 3.16Å; S212-W215 VanDerWaalsContact CB-CD1 3.5Å; S212-W215 VanDerWaalsContact CB-NE1 3.26Å; S212-W215 PolarHBondContact O-N 3.3Å | ||
| 213 | W | 84 | Confident | 85.4 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.6 | 178.4 | -167.8 | -123 | 0 | 0 | 0 | 114.4 | L187 Q188 L191 L202 E203 C206 V211 | L187-W213 HydrophobicContact CD2-CE3 4.47Å; Q188-W213 VanDerWaalsContact CA-CZ2 3.47Å; Q188-W213 HydrophobicContact CB-CD2 4.18Å; Q188-W213 HydrophobicContact CB-CZ2 3.75Å; Q188-W213 HydrophobicContact CG-CZ2 3.68Å; L191-W213 HydrophobicContact CB-CH2 4.29Å; L191-W213 HydrophobicContact CD1-CH2 4.39Å; L191-W213 HydrophobicContact CD1-CZ3 3.86Å; L202-W213 HydrophobicContact CB-CH2 3.3Å; L202-W213 HydrophobicContact CB-CZ2 4.1Å; L202-W213 HydrophobicContact CB-CZ3 3.64Å; L202-W213 HydrophobicContact CD1-CH2 3.92Å; L202-W213 HydrophobicContact CG-CH2 4.2Å; E203-W213 HydrophobicContact CB-CD2 3.93Å; E203-W213 HydrophobicContact CB-CE3 4.42Å; E203-W213 HydrophobicContact CB-CG 3.97Å; E203-W213 HydrophobicContact CG-CB 4Å; E203-W213 HydrophobicContact CG-CD2 4.36Å; E203-W213 HydrophobicContact CG-CG 3.87Å; C206-W213 HydrophobicContact CB-CE3 4.22Å; V211-W213 PolarHBondContact O-N 3.48Å |
| 214 | K | 83.7 | Confident | 84.8 | Confident | 168 Ų | 168 | 64 Ų | 64 | 73% | 0.73 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -0.9 | -178.3 | -65.9 | -174.9 | -179.9 | 178.3 | 0 | 114 | S212 | S212-K214 PolarHBondContact O-N 3.5Å; S212-K214 VanDerWaalsContact O-N 3.16Å |
| 215 | W | 84 | Confident | 84.5 | Confident | 68 Ų | 68 | 68.7 Ų | 68.7 | 26% | 0.258 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -67.5 | 145.4 | 178.5 | -71.6 | -13.4 | 0 | 0 | 0 | 111.6 | L187 V211 S212 A217 V220 Q223 | L187-W215 PolarHBondContact N-O 3.45Å; V211-W215 HydrophobicContact CG1-CE3 4.33Å; V211-W215 HydrophobicContact CG1-CZ3 4.34Å; S212-W215 VanDerWaalsContact CB-CD1 3.5Å; S212-W215 VanDerWaalsContact CB-NE1 3.26Å; S212-W215 PolarHBondContact O-N 3.3Å; W215-A217 PolarHBondContact O-N 2.97Å; W215-V220 HydrophobicContact CB-CG2 4.44Å; W215-V220 HydrophobicContact CE3-CG2 4.24Å; W215-Q223 HydrophobicContact CH2-CG 4.16Å; W215-Q223 HydrophobicContact CZ3-CG 3.86Å |
| 216 | P | 86.3 | Confident | 84.2 | Confident | 54 Ų | 54 | 69 Ų | 69 | 35% | 0.351 | 34% | 0.341 | S | S | . | . | B | Isolated β-bridge | trans | -54.6 | 134.9 | 162.2 | -21.2 | 32.4 | 0 | 0 | 0 | 108.8 | K218 K219 | P216-K218 PolarHBondContact O-N 3.4Å; P216-K218 VanDerWaalsContact O-N 3.12Å; P216-K219 HydrophobicContact CB-CB 4.35Å; P216-K219 WeakPolarHBondContact O-CB 3.28Å; P216-K219 PolarHBondContact O-N 3.46Å |
| 217 | A | 82.4 | Confident | 83.9 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.008 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -39.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I178 D185 V190 W215 K219 V220 | I178-A217 VanDerWaalsContact CG2-C 3.47Å; I178-A217 HydrophobicContact CG2-CB 4.11Å; I178-A217 VanDerWaalsContact CG2-O 3.23Å; I178-A217 WeakPolarHBondContact CG2-O 3.38Å; D185-A217 PolarHBondContact O-N 3.07Å; V190-A217 HydrophobicContact CG2-CB 3.87Å; W215-A217 PolarHBondContact O-N 2.97Å; A217-K219 VanDerWaalsContact C-N 3.34Å; A217-K219 PolarHBondContact O-N 3.38Å; A217-V220 WeakPolarHBondContact O-CB 3.47Å; A217-V220 WeakPolarHBondContact O-CG2 3.49Å; A217-V220 PolarHBondContact O-N 3.25Å |
| 218 | K | 82.3 | Confident | 83.8 | Confident | 86 Ų | 86 | 70.5 Ų | 70.5 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -33.8 | 178.7 | -59.8 | -166.9 | 178.2 | -162.1 | 0 | 113.6 | I178 D179 S181 P216 V220 L221 | I178-K218 HydrophobicContact CG2-CG 4.44Å; D179-K218 PolarHBondContact O-NZ 3.36Å; S181-K218 WeakPolarHBondContact O-CE 3.42Å; S181-K218 PolarHBondContact O-NZ 2.92Å; P216-K218 PolarHBondContact O-N 3.4Å; P216-K218 VanDerWaalsContact O-N 3.12Å; K218-V220 PolarHBondContact O-N 3.04Å; K218-V220 VanDerWaalsContact O-N 3.14Å; K218-L221 WeakPolarHBondContact O-CB 3.31Å; K218-L221 PolarHBondContact O-N 2.75Å |
| 219 | K | 84 | Confident | 83.8 | Confident | 97 Ų | 97 | 65.8 Ų | 65.8 | 42% | 0.422 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.4 | -22.7 | 179 | -168.7 | 176.8 | -179.4 | 177.3 | 0 | 112.6 | P216 A217 L221 D222 | P216-K219 HydrophobicContact CB-CB 4.35Å; P216-K219 WeakPolarHBondContact O-CB 3.28Å; P216-K219 PolarHBondContact O-N 3.46Å; A217-K219 VanDerWaalsContact C-N 3.34Å; A217-K219 PolarHBondContact O-N 3.38Å; K219-L221 VanDerWaalsContact C-N 3.28Å; K219-D222 PolarHBondContact O-N 2.96Å |
| 220 | V | 82.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.9 | -35 | 175.8 | -175.4 | 0 | 0 | 0 | 0 | 110.9 | L187 V211 W215 A217 K218 D222 Q223 G226 L230 | L187-V220 HydrophobicContact CD1-CG2 4.12Å; L187-V220 HydrophobicContact CD2-CG2 4.07Å; V211-V220 HydrophobicContact CG1-CG1 4.31Å; W215-V220 HydrophobicContact CB-CG2 4.44Å; W215-V220 HydrophobicContact CE3-CG2 4.24Å; A217-V220 WeakPolarHBondContact O-CB 3.47Å; A217-V220 WeakPolarHBondContact O-CG2 3.49Å; A217-V220 PolarHBondContact O-N 3.25Å; K218-V220 PolarHBondContact O-N 3.04Å; K218-V220 VanDerWaalsContact O-N 3.14Å; V220-D222 VanDerWaalsContact C-N 3.31Å; V220-Q223 PolarHBondContact O-N 3.04Å; V220-G226 WeakPolarHBondContact O-CA 3.27Å; V220-L230 HydrophobicContact CG1-CB 4.42Å; V220-L230 HydrophobicContact CG1-CD2 4.25Å |
| 221 | L | 81.3 | Confident | 84.1 | Confident | 48 Ų | 48 | 57.1 Ų | 57.1 | 25% | 0.251 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73.4 | -25 | 177.6 | -62.7 | 176.5 | 0 | 0 | 0 | 112.3 | K175 I178 K218 K219 Q223 L227 | K175-L221 HydrophobicContact CG-CD1 4.27Å; K175-L221 HydrophobicContact CG-CD2 4.31Å; I178-L221 HydrophobicContact CB-CD1 4.13Å; I178-L221 HydrophobicContact CD1-CD2 4.16Å; I178-L221 HydrophobicContact CD1-CG 4.33Å; I178-L221 HydrophobicContact CG2-CD1 3.6Å; I178-L221 HydrophobicContact CG2-CG 3.93Å; K218-L221 WeakPolarHBondContact O-CB 3.31Å; K218-L221 PolarHBondContact O-N 2.75Å; K219-L221 VanDerWaalsContact C-N 3.28Å; L221-Q223 VanDerWaalsContact C-N 3.31Å; L221-L227 HydrophobicContact CD2-CB 4.29Å; L221-L227 HydrophobicContact CD2-CD1 4.12Å |
| 222 | D | 82.4 | Confident | 84.3 | Confident | 126 Ų | 126 | 62.8 Ų | 62.8 | 67% | 0.674 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -75.8 | -17.8 | 178 | -58.2 | -29.4 | 0 | 0 | 0 | 113.1 | K219 V220 | K219-D222 PolarHBondContact O-N 2.96Å; V220-D222 VanDerWaalsContact C-N 3.31Å |
| 223 | Q | 81.6 | Confident | 84.6 | Confident | 73 Ų | 73 | 60.6 Ų | 60.6 | 34% | 0.341 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -79.1 | 142.7 | -179 | -66.5 | -58.7 | -56.8 | 0 | 0 | 111.7 | W215 V220 L221 N225 G226 | W215-Q223 HydrophobicContact CH2-CG 4.16Å; W215-Q223 HydrophobicContact CZ3-CG 3.86Å; V220-Q223 PolarHBondContact O-N 3.04Å; L221-Q223 VanDerWaalsContact C-N 3.31Å; Q223-N225 PolarHBondContact O-N 2.89Å; Q223-G226 PolarHBondContact O-N 3.33Å |
| 224 | P | 77.7 | Confident | 84.9 | Confident | 110 Ų | 110 | 59.9 Ų | 59.9 | 71% | 0.714 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 123.6 | 172.4 | 25.9 | -32.5 | 0 | 0 | 0 | 109.3 | G226 | P224-G226 PolarHBondContact O-N 3.1Š|
| 225 | N | 83.5 | Confident | 85.2 | Confident | 102 Ų | 102 | 58 Ų | 58 | 55% | 0.545 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 20.6 | -175.7 | -51.7 | -20.4 | 0 | 0 | 0 | 114.8 | Q223 L227 E228 S229 | Q223-N225 PolarHBondContact O-N 2.89Å; N225-L227 PolarHBondContact O-N 3.04Å; N225-E228 PolarHBondContact O-N 2.91Å; N225-S229 WeakPolarHBondContact O-CB 3.16Å; N225-S229 PolarHBondContact O-N 3.12Å; N225-S229 PolarHBondContact O-OG 3.46Å |
| 226 | G | 83.7 | Confident | 85.5 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 6% | 0.062 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V220 Q223 P224 L230 | V220-G226 WeakPolarHBondContact O-CA 3.27Å; Q223-G226 PolarHBondContact O-N 3.33Å; P224-G226 PolarHBondContact O-N 3.1Å; G226-L230 WeakPolarHBondContact O-CB 3.32Å; G226-L230 PolarHBondContact O-N 3.29Å |
| 227 | L | 85 | Confident | 85.6 | Confident | 44 Ų | 44 | 53.9 Ų | 53.9 | 23% | 0.23 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 175.9 | -177.1 | 62.8 | 0 | 0 | 0 | 111.9 | P171 V174 L221 N225 L230 M231 | P171-L227 HydrophobicContact CB-CD2 4.47Å; V174-L227 HydrophobicContact CB-CD1 4.4Å; V174-L227 HydrophobicContact CG1-CD1 4.03Å; L221-L227 HydrophobicContact CD2-CB 4.29Å; L221-L227 HydrophobicContact CD2-CD1 4.12Å; N225-L227 PolarHBondContact O-N 3.04Å; L227-L230 PolarHBondContact O-N 3.49Å; L227-M231 WeakPolarHBondContact O-CB 3.39Å; L227-M231 WeakPolarHBondContact O-CG 3.27Å; L227-M231 PolarHBondContact O-N 2.87Å |
| 228 | E | 87.4 | Confident | 85.9 | Confident | 109 Ų | 109 | 56.4 Ų | 56.4 | 51% | 0.509 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 178.6 | -66.3 | -174.8 | 178.5 | 0 | 0 | 112.2 | N225 L230 M231 R232 | N225-E228 PolarHBondContact O-N 2.91Å; E228-L230 VanDerWaalsContact C-N 3.34Å; E228-M231 WeakPolarHBondContact O-CB 3.28Å; E228-M231 PolarHBondContact O-N 3.49Å; E228-R232 WeakPolarHBondContact O-CG 3.41Å; E228-R232 PolarHBondContact O-N 3.3Å; E228-R232 IonicContact OE2-NH2 2.67Å |
| 229 | S | 88.5 | Confident | 86.2 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 14% | 0.14 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.8 | -42 | 177.8 | -54 | 0 | 0 | 0 | 0 | 110.7 | N225 M231 R232 A233 | N225-S229 WeakPolarHBondContact O-CB 3.16Å; N225-S229 PolarHBondContact O-N 3.12Å; N225-S229 PolarHBondContact O-OG 3.46Å; S229-M231 VanDerWaalsContact C-N 3.34Å; S229-M231 PolarHBondContact O-N 2.99Å; S229-R232 PolarHBondContact O-N 3.47Å; S229-A233 WeakPolarHBondContact O-CB 3.15Å; S229-A233 PolarHBondContact O-N 3.09Å |
| 230 | L | 88.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63 | -40.3 | 173.8 | 179.4 | 60.9 | 0 | 0 | 0 | 112 | V174 I178 L187 L191 V220 G226 L227 E228 A233 L234 | V174-L230 HydrophobicContact CG1-CD2 3.68Å; V174-L230 HydrophobicContact CG1-CG 4.35Å; I178-L230 HydrophobicContact CD1-CD2 3.75Å; L187-L230 HydrophobicContact CD1-CD2 4.36Å; L187-L230 HydrophobicContact CD2-CD1 4.4Å; L191-L230 HydrophobicContact CD1-CD1 3.91Å; V220-L230 HydrophobicContact CG1-CB 4.42Å; V220-L230 HydrophobicContact CG1-CD2 4.25Å; G226-L230 WeakPolarHBondContact O-CB 3.32Å; G226-L230 PolarHBondContact O-N 3.29Å; L227-L230 PolarHBondContact O-N 3.49Å; E228-L230 VanDerWaalsContact C-N 3.34Å; L230-A233 WeakPolarHBondContact O-CB 3.27Å; L230-A233 PolarHBondContact O-N 3.3Å; L230-L234 HydrophobicContact CD1-CG 4.42Å; L230-L234 HydrophobicContact CG-CD1 4.32Å; L230-L234 WeakPolarHBondContact O-CG 3.33Å; L230-L234 PolarHBondContact O-N 2.93Å |
| 231 | M | 88.7 | Confident | 86.5 | Confident | 19 Ų | 19 | 53.2 Ų | 53.2 | 9% | 0.094 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 177.3 | -75 | -68.5 | -66.9 | 0 | 0 | 112.2 | I169 P171 V174 L227 E228 S229 L234 K235 | I169-M231 HydrophobicContact CG2-CE 3.64Å; I169-M231 HydrophobicContact CG2-SD 3.88Å; I169-M231 WeakPolarHBondContact O-CE 3.35Å; P171-M231 HydrophobicContact CB-CE 4.28Å; V174-M231 HydrophobicContact CB-SD 4.11Å; V174-M231 HydrophobicContact CG2-SD 3.67Å; L227-M231 WeakPolarHBondContact O-CB 3.39Å; L227-M231 WeakPolarHBondContact O-CG 3.27Å; L227-M231 PolarHBondContact O-N 2.87Å; E228-M231 WeakPolarHBondContact O-CB 3.28Å; E228-M231 PolarHBondContact O-N 3.49Å; S229-M231 VanDerWaalsContact C-N 3.34Å; S229-M231 PolarHBondContact O-N 2.99Å; M231-L234 PolarHBondContact O-N 3.28Å; M231-K235 WeakPolarHBondContact O-CG 3.47Å; M231-K235 PolarHBondContact O-N 2.89Å |
| 232 | R | 89.7 | Confident | 86.7 | Confident | 125 Ų | 125 | 54.9 Ų | 54.9 | 47% | 0.472 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 172 | -71.1 | -173.6 | -127 | 146.5 | -5 | 111.3 | E209 E228 S229 L234 K235 A236 | E209-R232 HydrophobicContact CG-CB 4.14Å; E209-R232 IonicContact OE2-NH1 3.69Å; E209-R232 PolarHBondContact OE2-NH1 3.49Å; E209-R232 VanDerWaalsContact OE2-NH1 3.15Å; E228-R232 WeakPolarHBondContact O-CG 3.41Å; E228-R232 PolarHBondContact O-N 3.3Å; E228-R232 IonicContact OE2-NH2 2.67Å; S229-R232 PolarHBondContact O-N 3.47Å; R232-L234 VanDerWaalsContact C-N 3.34Å; R232-L234 PolarHBondContact O-N 2.98Å; R232-K235 PolarHBondContact O-N 3.45Å; R232-A236 WeakPolarHBondContact O-CB 3.49Å; R232-A236 PolarHBondContact O-N 3.18Å |
| 233 | A | 90.2 | Very high | 86.9 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | C205 E209 S229 L230 S237 | C205-A233 HydrophobicContact CB-CB 4.11Å; C205-A233 WeakPolarHBondContact CB-O 3.43Å; E209-A233 HydrophobicContact CB-CB 4.33Å; E209-A233 HydrophobicContact CG-CB 4.04Å; S229-A233 WeakPolarHBondContact O-CB 3.15Å; S229-A233 PolarHBondContact O-N 3.09Å; L230-A233 WeakPolarHBondContact O-CB 3.27Å; L230-A233 PolarHBondContact O-N 3.3Å; A233-S237 WeakPolarHBondContact O-CB 3.46Å; A233-S237 PolarHBondContact O-N 3.32Å; A233-S237 PolarHBondContact O-OG 3.36Å |
| 234 | L | 89.8 | Confident | 87 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.3 | -42.9 | 176.9 | -72.5 | 172.9 | 0 | 0 | 0 | 112.2 | I169 V174 L191 Y195 L202 L230 M231 R232 S237 Q238 | I169-L234 HydrophobicContact CD1-CB 4.28Å; I169-L234 HydrophobicContact CG2-CB 3.91Å; I169-L234 HydrophobicContact CG2-CD1 4.44Å; V174-L234 HydrophobicContact CG1-CD1 4.25Å; V174-L234 HydrophobicContact CG2-CD1 3.74Å; L191-L234 HydrophobicContact CD2-CD2 4.4Å; Y195-L234 HydrophobicContact CD1-CD2 4.33Å; Y195-L234 HydrophobicContact CD2-CD2 4.09Å; Y195-L234 HydrophobicContact CE1-CD2 4.27Å; Y195-L234 HydrophobicContact CE2-CD1 4.24Å; Y195-L234 HydrophobicContact CE2-CD2 4.03Å; Y195-L234 HydrophobicContact CG-CD2 4.26Å; L202-L234 HydrophobicContact CD2-CD2 3.9Å; L230-L234 HydrophobicContact CD1-CG 4.42Å; L230-L234 HydrophobicContact CG-CD1 4.32Å; L230-L234 WeakPolarHBondContact O-CG 3.33Å; L230-L234 PolarHBondContact O-N 2.93Å; M231-L234 PolarHBondContact O-N 3.28Å; R232-L234 VanDerWaalsContact C-N 3.34Å; R232-L234 PolarHBondContact O-N 2.98Å; L234-S237 WeakPolarHBondContact O-CB 3.42Å; L234-S237 PolarHBondContact O-N 3.12Å; L234-Q238 PolarHBondContact O-N 2.97Å |
| 235 | K | 90.5 | Very high | 87.2 | Confident | 127 Ų | 127 | 50.9 Ų | 50.9 | 55% | 0.552 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -62.4 | -42.9 | 174.5 | -72.9 | 179.9 | 179.7 | -178.6 | 0 | 111.7 | I169 M231 R232 S237 Q238 S239 | I169-K235 HydrophobicContact CD1-CG 4.46Å; I169-K235 HydrophobicContact CG2-CG 4.16Å; M231-K235 WeakPolarHBondContact O-CG 3.47Å; M231-K235 PolarHBondContact O-N 2.89Å; R232-K235 PolarHBondContact O-N 3.45Å; K235-S237 VanDerWaalsContact C-N 3.33Å; K235-Q238 PolarHBondContact O-N 2.9Å; K235-S239 PolarHBondContact O-N 3.45Å |
| 236 | A | 89.9 | Confident | 87.2 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 31% | 0.306 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | C205 R232 Q238 S239 L240 | C205-A236 HydrophobicContact CB-CB 4.41Å; R232-A236 WeakPolarHBondContact O-CB 3.49Å; R232-A236 PolarHBondContact O-N 3.18Å; A236-Q238 VanDerWaalsContact C-N 3.35Å; A236-Q238 PolarHBondContact O-N 3.33Å; A236-S239 PolarHBondContact O-N 2.89Å; A236-L240 WeakPolarHBondContact O-CB 2.9Å; A236-L240 WeakPolarHBondContact O-CG 3.12Å; A236-L240 PolarHBondContact O-N 3.1Å |
| 237 | S | 89.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 175.5 | -59 | 0 | 0 | 0 | 0 | 111.5 | C205 A233 L234 K235 Y241 | C205-S237 VanDerWaalsContact CB-OG 3.25Å; C205-S237 WeakPolarHBondContact CB-OG 3.35Å; C205-S237 PolarHBondContact SG-OG 3.33Å; A233-S237 WeakPolarHBondContact O-CB 3.46Å; A233-S237 PolarHBondContact O-N 3.32Å; A233-S237 PolarHBondContact O-OG 3.36Å; L234-S237 WeakPolarHBondContact O-CB 3.42Å; L234-S237 PolarHBondContact O-N 3.12Å; K235-S237 VanDerWaalsContact C-N 3.33Å; S237-Y241 WeakPolarHBondContact O-CB 3.5Å; S237-Y241 PolarHBondContact O-N 3.03Å |
| 238 | Q | 88.7 | Confident | 87 | Confident | 54 Ų | 54 | 61 Ų | 61 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.2 | -48.7 | 175.8 | -176.5 | -177.2 | -1.4 | 0 | 0 | 111.5 | I169 Y197 L234 K235 A236 L240 Y241 E242 | I169-Q238 HydrophobicContact CD1-CB 4.04Å; Y197-Q238 HydrophobicContact CE1-CB 4.37Å; L234-Q238 PolarHBondContact O-N 2.97Å; K235-Q238 PolarHBondContact O-N 2.9Å; A236-Q238 VanDerWaalsContact C-N 3.35Å; A236-Q238 PolarHBondContact O-N 3.33Å; Q238-L240 PolarHBondContact O-N 2.65Å; Q238-Y241 PolarHBondContact O-N 3.28Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.49Å; Q238-E242 PolarHBondContact NE2-OE1 3.24Å; Q238-E242 WeakPolarHBondContact O-CG 3.33Å; Q238-E242 PolarHBondContact O-N 3.37Å |
| 239 | S | 89 | Confident | 87 | Confident | 73 Ų | 73 | 56.7 Ų | 56.7 | 51% | 0.51 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | -179.2 | 177.4 | 0 | 0 | 0 | 0 | 112 | K235 A236 Y241 E242 Q243 | K235-S239 PolarHBondContact O-N 3.45Å; A236-S239 PolarHBondContact O-N 2.89Å; S239-Y241 PolarHBondContact O-N 3.45Å; S239-E242 PolarHBondContact O-N 3.23Å; S239-Q243 WeakPolarHBondContact O-CB 3.26Å; S239-Q243 PolarHBondContact O-N 3.39Å |
| 240 | L | 86.3 | Confident | 87.1 | Confident | 30 Ų | 30 | 60.5 Ų | 60.5 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 177.1 | -73.4 | 172.6 | 0 | 0 | 0 | 112.3 | L201 A236 Q238 E242 Q243 L244 | L201-L240 HydrophobicContact CD1-CB 3.89Å; L201-L240 HydrophobicContact CD1-CD1 3.9Å; L201-L240 HydrophobicContact CD2-CB 4.46Å; A236-L240 WeakPolarHBondContact O-CB 2.9Å; A236-L240 WeakPolarHBondContact O-CG 3.12Å; A236-L240 PolarHBondContact O-N 3.1Å; Q238-L240 PolarHBondContact O-N 2.65Å; L240-E242 VanDerWaalsContact C-N 3.35Å; L240-Q243 PolarHBondContact O-N 2.92Å; L240-L244 WeakPolarHBondContact O-CB 3.26Å; L240-L244 VanDerWaalsContact O-CG 3.28Å; L240-L244 WeakPolarHBondContact O-CG 3.17Å; L240-L244 PolarHBondContact O-N 2.91Å |
| 241 | Y | 86.5 | Confident | 87.2 | Confident | 13 Ų | 13 | 60.5 Ų | 60.5 | 5% | 0.051 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 176.5 | -175.5 | -94.4 | 0 | 0 | 0 | 112 | F11 Y197 L201 S237 Q238 S239 R245 | F11-Y241 HydrophobicContact CD2-CE2 4.2Å; F11-Y241 HydrophobicContact CE2-CD2 4.25Å; F11-Y241 HydrophobicContact CE2-CE1 4.15Å; F11-Y241 AromaticContact CE2-CE2 3.38Å; F11-Y241 HydrophobicContact CE2-CE2 3.38Å; F11-Y241 AromaticContact CE2-CZ 3.32Å; F11-Y241 VanDerWaalsContact CE2-OH 3.24Å; F11-Y241 WeakPolarHBondContact CE2-OH 3.18Å; F11-Y241 HydrophobicContact CZ-CE1 4.3Å; F11-Y241 HydrophobicContact CZ-CE2 4.17Å; F11-Y241 AromaticContact CZ-CZ 3.63Å; F11-Y241 WeakPolarHBondContact CZ-OH 3.41Å; Y197-Y241 HydrophobicContact CD1-CD1 4.05Å; Y197-Y241 AromaticContact CD1-CD2 3.86Å; Y197-Y241 HydrophobicContact CD1-CD2 3.86Å; Y197-Y241 HydrophobicContact CD1-CE2 4.3Å; Y197-Y241 AromaticContact CD1-CG 3.69Å; Y197-Y241 HydrophobicContact CD1-CG 3.69Å; Y197-Y241 HydrophobicContact CE1-CD1 4.34Å; Y197-Y241 HydrophobicContact CE1-CG 4.34Å; L201-Y241 HydrophobicContact CD2-CD2 4.21Å; S237-Y241 WeakPolarHBondContact O-CB 3.5Å; S237-Y241 PolarHBondContact O-N 3.03Å; Q238-Y241 PolarHBondContact O-N 3.28Å; S239-Y241 PolarHBondContact O-N 3.45Å; Y241-R245 PolarHBondContact O-N 3.3Å |
| 242 | E | 85.2 | Confident | 87.4 | Confident | 83 Ų | 83 | 61.4 Ų | 61.4 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.4 | -35.9 | 175.7 | -72 | 177 | -165.8 | 0 | 0 | 112.4 | Q238 S239 L240 R245 | Q238-E242 WeakPolarHBondContact CG-OE1 3.49Å; Q238-E242 PolarHBondContact NE2-OE1 3.24Å; Q238-E242 WeakPolarHBondContact O-CG 3.33Å; Q238-E242 PolarHBondContact O-N 3.37Å; S239-E242 PolarHBondContact O-N 3.23Å; L240-E242 VanDerWaalsContact C-N 3.35Å; E242-R245 PolarHBondContact O-N 3.38Å |
| 243 | Q | 86.3 | Confident | 87.5 | Confident | 87 Ų | 87 | 55.4 Ų | 55.4 | 41% | 0.407 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.5 | -49.9 | 176.1 | -173.6 | -178.4 | -1.2 | 0 | 0 | 111.6 | S239 L240 R245 K246 E247 | S239-Q243 WeakPolarHBondContact O-CB 3.26Å; S239-Q243 PolarHBondContact O-N 3.39Å; L240-Q243 PolarHBondContact O-N 2.92Å; Q243-R245 PolarHBondContact O-N 3.27Å; Q243-K246 PolarHBondContact O-N 3.17Å; Q243-E247 HydrophobicContact CG-CG 4.49Å; Q243-E247 WeakPolarHBondContact CG-OE2 3.3Å; Q243-E247 PolarHBondContact NE2-OE2 3.48Å; Q243-E247 PolarHBondContact O-N 3.09Å |
| 244 | L | 83.3 | Confident | 87.5 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 7% | 0.073 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.8 | -18.6 | 179 | -72.5 | 170.3 | 0 | 0 | 0 | 113.5 | I8 L240 C249 | I8-L244 HydrophobicContact CG2-CD1 3.67Å; L240-L244 WeakPolarHBondContact O-CB 3.26Å; L240-L244 VanDerWaalsContact O-CG 3.28Å; L240-L244 WeakPolarHBondContact O-CG 3.17Å; L240-L244 PolarHBondContact O-N 2.91Å; L244-C249 HydrophobicContact CD2-CB 4.23Å |
| 245 | R | 81.9 | Confident | 87.4 | Confident | 123 Ų | 123 | 56.9 Ų | 56.9 | 46% | 0.464 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -82.2 | -24.4 | 175.8 | -169.3 | 174.7 | -179.8 | 172.8 | 4.4 | 113.2 | F11 Y241 E242 Q243 | F11-R245 HydrophobicContact CD1-CG 4.2Å; Y241-R245 PolarHBondContact O-N 3.3Å; E242-R245 PolarHBondContact O-N 3.38Å; Q243-R245 PolarHBondContact O-N 3.27Å |
| 246 | K | 82.4 | Confident | 87.1 | Confident | 165 Ų | 165 | 58.7 Ų | 58.7 | 72% | 0.717 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -104.3 | -39.9 | -174.7 | -67.9 | 179.4 | -178.5 | 175.2 | 0 | 112.5 | N15 Q243 | N15-K246 PolarHBondContact ND2-O 3.18Å; N15-K246 VanDerWaalsContact ND2-O 3.1Å; Q243-K246 PolarHBondContact O-N 3.17Å |
| 247 | E | 83.1 | Confident | 86.8 | Confident | 108 Ų | 108 | 63 Ų | 63 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -101 | 142.6 | -170.6 | -68 | 175.3 | -174.4 | 0 | 0 | 111.7 | N15 Q243 | N15-E247 PolarHBondContact ND2-N 3.12Å; N15-E247 PolarHBondContact ND2-O 3.34Å; Q243-E247 HydrophobicContact CG-CG 4.49Å; Q243-E247 WeakPolarHBondContact CG-OE2 3.3Å; Q243-E247 PolarHBondContact NE2-OE2 3.48Å; Q243-E247 PolarHBondContact O-N 3.09Å |
| 248 | S | 82.4 | Confident | 86.2 | Confident | 92 Ų | 92 | 65.3 Ų | 65.3 | 64% | 0.643 | 31% | 0.309 | S | S | * | . | trans | -67.6 | 144.7 | 171.6 | 55.2 | 0 | 0 | 0 | 0 | 108.4 | N15 | N15-S248 PolarHBondContact ND2-N 3.37Š| ||
| 249 | C | 86.8 | Confident | 85.7 | Confident | 18 Ų | 18 | 72.3 Ų | 72.3 | 12% | 0.122 | 33% | 0.333 | C | S | . | . | trans | -126.2 | 154.7 | -174.5 | 59.9 | 0 | 0 | 0 | 0 | 111.1 | A12 L244 F291 | A12-C249 VanDerWaalsContact CB-SG 3.5Å; L244-C249 HydrophobicContact CD2-CB 4.23Å; C249-F291 PolarHBondContact O-N 3.13Å | ||
| 250 | K | 90.4 | Very high | 84.7 | Confident | 101 Ų | 101 | 69.9 Ų | 69.9 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | trans | -70.9 | 160.6 | 172.9 | -62.5 | -172.3 | 177.2 | -176.6 | 0 | 110.5 | Y252 P274 E287 F288 | K250-Y252 HydrophobicContact CB-CE2 4.03Å; K250-P274 CarbonylContact O-C 3.55Å; K250-E287 HydrophobicContact CD-CG 4.3Å; K250-E287 WeakPolarHBondContact CD-OE1 2.95Å; K250-E287 WeakPolarHBondContact CE-OE1 3.48Å; K250-E287 IonicContact NZ-OE1 2.8Å; K250-E287 PolarHBondContact NZ-OE1 3.27Å; K250-F288 WeakPolarHBondContact CB-O 3.19Å | ||
| 251 | G | 90.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 141.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E287 F288 T290 | G251-E287 CarbonylContact O-C 3.5Å; G251-F288 PolarHBondContact N-O 3.21Å; G251-F288 PolarHBondContact O-N 3.46Å; G251-T290 PolarHBondContact N-O 3.03Å |
| 252 | Y | 92.4 | Very high | 82.4 | Confident | 37 Ų | 37 | 72.5 Ų | 72.5 | 15% | 0.145 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 131.3 | 175 | -60 | -85.9 | 0 | 0 | 0 | 110.3 | K250 F272 H273 L276 V285 K286 E287 | K250-Y252 HydrophobicContact CB-CE2 4.03Å; Y252-F272 CarbonylContact O-C 3.58Å; Y252-F272 VanDerWaalsContact O-CA 3.26Å; Y252-F272 WeakPolarHBondContact O-CA 3.49Å; Y252-H273 PolarHBondContact N-O 3.35Å; Y252-H273 PolarHBondContact O-N 3.39Å; Y252-L276 HydrophobicContact CD1-CB 4.26Å; Y252-L276 HydrophobicContact CD1-CD1 4.41Å; Y252-L276 HydrophobicContact CD2-CB 4.37Å; Y252-L276 HydrophobicContact CE1-CB 4.07Å; Y252-L276 HydrophobicContact CE2-CB 4.2Å; Y252-L276 HydrophobicContact CG-CB 4.39Å; Y252-V285 HydrophobicContact CD1-CG1 3.82Å; Y252-V285 HydrophobicContact CG-CG1 4.29Å; Y252-K286 CarbonylContact C-O 3.57Å; Y252-K286 WeakPolarHBondContact CA-O 3.2Å; Y252-E287 HydrophobicContact CD1-CB 4.31Å; Y252-E287 HydrophobicContact CD1-CG 4.33Å; Y252-E287 HydrophobicContact CE1-CB 4.2Å; Y252-E287 HydrophobicContact CE1-CG 3.83Å |
| 253 | I | 91.5 | Very high | 81.5 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 122.7 | 172.5 | -58.2 | 178.4 | 0 | 0 | 0 | 108.9 | Y269 D271 V285 K286 F288 A294 E297 F298 | I253-Y269 HydrophobicContact CD1-CD2 4.45Å; I253-Y269 HydrophobicContact CD1-CE2 4.23Å; I253-Y269 HydrophobicContact CG2-CD1 3.94Å; I253-Y269 HydrophobicContact CG2-CD2 4.04Å; I253-Y269 HydrophobicContact CG2-CE1 4.39Å; I253-Y269 HydrophobicContact CG2-CE2 4.47Å; I253-Y269 HydrophobicContact CG2-CG 3.7Å; I253-D271 CarbonylContact C-O 3.52Å; I253-D271 WeakPolarHBondContact CA-O 3.4Å; I253-V285 CarbonylContact O-C 3.48Å; I253-V285 WeakPolarHBondContact O-CA 3.35Å; I253-K286 PolarHBondContact N-O 3.2Å; I253-K286 PolarHBondContact O-N 3.27Å; I253-F288 HydrophobicContact CB-CE2 4.09Å; I253-F288 HydrophobicContact CD1-CD2 4.09Å; I253-F288 HydrophobicContact CD1-CE2 3.31Å; I253-F288 HydrophobicContact CD1-CZ 3.66Å; I253-F288 HydrophobicContact CG1-CD2 4.06Å; I253-F288 HydrophobicContact CG1-CE2 3.58Å; I253-F288 HydrophobicContact CG1-CZ 4.42Å; I253-A294 HydrophobicContact CD1-CB 4.28Å; I253-A294 VanDerWaalsContact CD1-O 3.23Å; I253-A294 WeakPolarHBondContact CD1-O 3.43Å; I253-A294 HydrophobicContact CG1-CB 3.91Å; I253-E297 HydrophobicContact CD1-CB 4.08Å; I253-E297 HydrophobicContact CD1-CG 4.15Å; I253-F298 HydrophobicContact CD1-CB 4.1Å; I253-F298 HydrophobicContact CG2-CD2 4.07Å |
| 254 | T | 90.4 | Very high | 80.7 | Confident | 10 Ų | 10 | 72.6 Ų | 72.6 | 6% | 0.061 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 137.8 | 169.1 | 60.3 | 0 | 0 | 0 | 0 | 109.5 | V270 D271 L280 A283 T284 V285 | T254-V270 PolarHBondContact O-N 2.79Å; T254-D271 PolarHBondContact N-O 3.04Å; T254-D271 PolarHBondContact O-N 3Å; T254-D271 WeakPolarHBondContact OG1-CA 3.49Å; T254-D271 WeakPolarHBondContact OG1-CB 3.5Å; T254-D271 PolarHBondContact OG1-N 2.99Å; T254-D271 PolarHBondContact OG1-O 3.27Å; T254-L280 HydrophobicContact CG2-CD1 4.02Å; T254-L280 HydrophobicContact CG2-CD2 4.06Å; T254-L280 HydrophobicContact CG2-CG 4.43Å; T254-A283 HydrophobicContact CG2-CB 4.42Å; T254-T284 WeakPolarHBondContact CA-O 3.49Å; T254-V285 HydrophobicContact CG2-CG2 4.05Å |
| 255 | F | 88.2 | Confident | 80.1 | Confident | 22 Ų | 22 | 74.8 Ų | 74.8 | 10% | 0.096 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 162.2 | 179 | 67.5 | -82.3 | 0 | 0 | 0 | 111.7 | Q257 E267 M268 Y269 T284 K286 | F255-Q257 HydrophobicContact CD2-CG 4.23Å; F255-Q257 HydrophobicContact CE2-CG 4.02Å; F255-E267 HydrophobicContact CD2-CB 4.29Å; F255-E267 HydrophobicContact CD2-CG 4.19Å; F255-E267 HydrophobicContact CE2-CG 4.34Å; F255-M268 CarbonylContact C-O 3.58Å; F255-M268 VanDerWaalsContact CA-O 3.29Å; F255-M268 WeakPolarHBondContact CA-O 3.21Å; F255-Y269 HydrophobicContact CB-CD1 3.63Å; F255-Y269 HydrophobicContact CB-CE1 4.18Å; F255-T284 VanDerWaalsContact CD1-O 3.27Å; F255-T284 WeakPolarHBondContact CD1-O 3.39Å; F255-T284 HydrophobicContact CZ-CG2 4.45Å; F255-T284 PolarHBondContact N-O 3.26Å; F255-T284 PolarHBondContact O-OG1 3.03Å; F255-K286 HydrophobicContact CD1-CD 4.37Å; F255-K286 HydrophobicContact CD1-CG 3.76Å; F255-K286 HydrophobicContact CE1-CD 4.26Å; F255-K286 HydrophobicContact CE1-CG 3.49Å; F255-K286 VanDerWaalsContact CE1-CG 3.49Å; F255-K286 HydrophobicContact CZ-CG 4.38Å |
| 256 | R | 85.3 | Confident | 79.6 | Confident | 166 Ų | 166 | 70.8 Ų | 70.8 | 63% | 0.626 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 138.9 | 170.9 | -73 | 176.6 | -173.5 | -177.5 | 0.6 | 108.4 | M268 V270 | R256-M268 PolarHBondContact N-O 3.09Å; R256-M268 PolarHBondContact O-N 2.7Å; R256-V270 HydrophobicContact CB-CG2 4.29Å; R256-V270 HydrophobicContact CG-CG2 3.76Å |
| 257 | Q | 82.1 | Confident | 79.5 | Confident | 126 Ų | 126 | 65.6 Ų | 65.6 | 59% | 0.589 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 120 | 173.1 | -67.8 | -178.4 | -14.7 | 0 | 0 | 109.1 | F255 E267 | F255-Q257 HydrophobicContact CD2-CG 4.23Å; F255-Q257 HydrophobicContact CE2-CG 4.02Å; Q257-E267 HydrophobicContact CG-CG 4.5Å |
| 258 | E | 77.6 | Confident | 79.4 | Confident | 50 Ų | 50 | 61.6 Ų | 61.6 | 23% | 0.234 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 138.4 | 167.3 | -80.3 | -167.7 | -166.4 | 0 | 0 | 109.3 | I266 M268 L312 R316 | E258-I266 PolarHBondContact N-O 3.42Å; E258-I266 PolarHBondContact O-N 3.48Å; E258-M268 HydrophobicContact CB-CE 4.2Å; E258-M268 HydrophobicContact CG-CE 3.59Å; E258-M268 WeakPolarHBondContact OE1-CE 3.43Å; E258-L312 WeakPolarHBondContact OE2-CD2 3.39Å; E258-R316 IonicContact OE1-NH2 3.6Å; E258-R316 IonicContact OE2-CZ 3.61Å; E258-R316 IonicContact OE2-NH1 3.88Å; E258-R316 IonicContact OE2-NH2 2.75Å; E258-R316 PolarHBondContact OE2-NH2 3.42Å |
| 259 | R | 76.7 | Confident | 79.6 | Confident | 201 Ų | 201 | 57.3 Ų | 57.3 | 76% | 0.758 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 132.3 | 174.9 | -67.6 | -177.3 | -176.8 | 169.3 | -0.1 | 109.9 | E264 | R259-E264 VanDerWaalsContact CA-O 3.31Å; R259-E264 WeakPolarHBondContact CA-O 3.32Å |
| 260 | N | 68.3 | Low | 79.6 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 11% | 0.112 | 30% | 0.295 | C | S | . | . | trans | -72.9 | 176.2 | 169.8 | 70.3 | 9 | 0 | 0 | 0 | 111 | A262 G263 E264 I266 | N260-A262 PolarHBondContact O-N 3.29Å; N260-A262 VanDerWaalsContact OD1-CA 3.31Å; N260-A262 WeakPolarHBondContact OD1-CA 3.44Å; N260-A262 WeakPolarHBondContact OD1-CB 3.46Å; N260-A262 PolarHBondContact OD1-N 2.91Å; N260-G263 PolarHBondContact O-N 2.99Å; N260-G263 PolarHBondContact OD1-N 3.44Å; N260-G263 VanDerWaalsContact OD1-N 3.12Å; N260-E264 PolarHBondContact N-O 3.49Å; N260-E264 PolarHBondContact ND2-OE2 2.86Å; N260-E264 WeakPolarHBondContact OD1-CB 3.25Å; N260-E264 PolarHBondContact OD1-N 2.75Å; N260-I266 HydrophobicContact CB-CD1 3.86Å | ||
| 261 | S | 64 | Low | 79.5 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -6 | 178.3 | -46.8 | 0 | 0 | 0 | 0 | 113.7 | E315 I319 R494 | S261-E315 WeakPolarHBondContact CB-OE2 3.35Å; S261-E315 PolarHBondContact N-OE2 3.02Å; S261-E315 PolarHBondContact OG-OE2 3.46Å; S261-I319 WeakPolarHBondContact OG-CD1 3.17Å; S261-R494 VanDerWaalsContact C-NH2 3.3Å; S261-R494 PolarHBondContact O-NH2 2.89Å |
| 262 | A | 61.2 | Low | 79.5 | Confident | 47 Ų | 47 | 55.2 Ų | 55.2 | 39% | 0.388 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -10.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N260 E264 R494 | N260-A262 PolarHBondContact O-N 3.29Å; N260-A262 VanDerWaalsContact OD1-CA 3.31Å; N260-A262 WeakPolarHBondContact OD1-CA 3.44Å; N260-A262 WeakPolarHBondContact OD1-CB 3.46Å; N260-A262 PolarHBondContact OD1-N 2.91Å; A262-E264 HydrophobicContact CB-CG 4.2Å; A262-R494 VanDerWaalsContact CB-CZ 3.49Å; A262-R494 VanDerWaalsContact CB-NH2 3.31Å; A262-R494 VanDerWaalsContact N-NH2 3.15Å |
| 263 | G | 66.9 | Low | 79.4 | Confident | 48 Ų | 48 | 54.1 Ų | 54.1 | 50% | 0.495 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 87.3 | 1.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | N260 | N260-G263 PolarHBondContact O-N 2.99Å; N260-G263 PolarHBondContact OD1-N 3.44Å; N260-G263 VanDerWaalsContact OD1-N 3.12Å |
| 264 | E | 68.6 | Low | 79.3 | Confident | 123 Ų | 123 | 54.3 Ų | 54.3 | 58% | 0.575 | 28% | 0.281 | S | S | * | . | trans | -74.2 | 133.1 | 176.6 | -59.9 | 165 | 165.4 | 0 | 0 | 109.8 | R259 N260 A262 I266 | R259-E264 VanDerWaalsContact CA-O 3.31Å; R259-E264 WeakPolarHBondContact CA-O 3.32Å; N260-E264 PolarHBondContact N-O 3.49Å; N260-E264 PolarHBondContact ND2-OE2 2.86Å; N260-E264 WeakPolarHBondContact OD1-CB 3.25Å; N260-E264 PolarHBondContact OD1-N 2.75Å; A262-E264 HydrophobicContact CB-CG 4.2Å; E264-I266 PolarHBondContact O-N 2.77Å | ||
| 265 | A | 70.4 | Confident | 79 | Confident | 61 Ų | 61 | 56.4 Ų | 56.4 | 50% | 0.504 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 114.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 266 | I | 72 | Confident | 78.9 | Confident | 38 Ų | 38 | 58.3 Ų | 58.3 | 20% | 0.195 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 119.7 | 173.3 | -57.9 | 177.5 | 0 | 0 | 0 | 108.2 | E258 N260 E264 M268 D308 | E258-I266 PolarHBondContact N-O 3.42Å; E258-I266 PolarHBondContact O-N 3.48Å; N260-I266 HydrophobicContact CB-CD1 3.86Å; E264-I266 PolarHBondContact O-N 2.77Å; I266-M268 HydrophobicContact CG2-CG 4.4Å; I266-M268 PolarHBondContact O-N 2.75Å; I266-D308 HydrophobicContact CG2-CB 4.45Å |
| 267 | E | 80.8 | Confident | 79 | Confident | 57 Ų | 57 | 50.6 Ų | 50.6 | 27% | 0.266 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 110.2 | 174.3 | -62.4 | 179.6 | 144.1 | 0 | 0 | 110.7 | F255 Q257 K286 R301 Q305 | F255-E267 HydrophobicContact CD2-CB 4.29Å; F255-E267 HydrophobicContact CD2-CG 4.19Å; F255-E267 HydrophobicContact CE2-CG 4.34Å; Q257-E267 HydrophobicContact CG-CG 4.5Å; E267-K286 WeakPolarHBondContact OE1-CE 3.4Å; E267-K286 IonicContact OE1-NZ 3.76Å; E267-K286 PolarHBondContact OE1-NZ 3.19Å; E267-K286 IonicContact OE2-NZ 2.75Å; E267-K286 PolarHBondContact OE2-NZ 3.25Å; E267-R301 IonicContact OE2-NH1 4Å; E267-Q305 PolarHBondContact O-NE2 3.29Å |
| 268 | M | 80.9 | Confident | 79.1 | Confident | 24 Ų | 24 | 45.4 Ų | 45.4 | 12% | 0.118 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 113.5 | 173.5 | -62.5 | -162.4 | -53 | 0 | 0 | 110.2 | F255 R256 E258 I266 Q309 | F255-M268 CarbonylContact C-O 3.58Å; F255-M268 VanDerWaalsContact CA-O 3.29Å; F255-M268 WeakPolarHBondContact CA-O 3.21Å; R256-M268 PolarHBondContact N-O 3.09Å; R256-M268 PolarHBondContact O-N 2.7Å; E258-M268 HydrophobicContact CB-CE 4.2Å; E258-M268 HydrophobicContact CG-CE 3.59Å; E258-M268 WeakPolarHBondContact OE1-CE 3.43Å; I266-M268 HydrophobicContact CG2-CG 4.4Å; I266-M268 PolarHBondContact O-N 2.75Å; M268-Q309 HydrophobicContact SD-CG 3.94Å |
| 269 | Y | 87.1 | Confident | 79.4 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 138.3 | 175.2 | -60.6 | -16.3 | 0 | 0 | 0 | 109.8 | M1 I253 F255 K286 E297 F298 R301 Q305 | M1-Y269 WeakPolarHBondContact CE-O 3.41Å; I253-Y269 HydrophobicContact CD1-CD2 4.45Å; I253-Y269 HydrophobicContact CD1-CE2 4.23Å; I253-Y269 HydrophobicContact CG2-CD1 3.94Å; I253-Y269 HydrophobicContact CG2-CD2 4.04Å; I253-Y269 HydrophobicContact CG2-CE1 4.39Å; I253-Y269 HydrophobicContact CG2-CE2 4.47Å; I253-Y269 HydrophobicContact CG2-CG 3.7Å; F255-Y269 HydrophobicContact CB-CD1 3.63Å; F255-Y269 HydrophobicContact CB-CE1 4.18Å; Y269-K286 HydrophobicContact CE1-CD 4.37Å; Y269-E297 HydrophobicContact CE2-CG 4.07Å; Y269-F298 HydrophobicContact CD2-CD2 4.24Å; Y269-F298 HydrophobicContact CG-CD2 4.39Å; Y269-R301 HydrophobicContact CD2-CB 4.11Å; Y269-R301 HydrophobicContact CE2-CB 3.99Å; Y269-R301 HydrophobicContact CE2-CG 3.99Å; Y269-R301 PolarHBondContact OH-NE 3.41Å; Y269-R301 PolarHBondContact OH-NH1 3.36Å; Y269-R301 VanDerWaalsContact OH-NH1 3.13Å; Y269-Q305 VanDerWaalsContact CB-NE2 3.27Å |
| 270 | V | 85.5 | Confident | 79.7 | Confident | 35 Ų | 35 | 36.9 Ų | 36.9 | 21% | 0.212 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | -51.1 | -174.1 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | M1 K2 T254 R256 | M1-V270 CarbonylContact C-O 3.53Å; M1-V270 WeakPolarHBondContact CA-O 3.49Å; M1-V270 VanDerWaalsContact CG-O 3.31Å; M1-V270 WeakPolarHBondContact CG-O 3.3Å; K2-V270 PolarHBondContact N-O 3.24Å; T254-V270 PolarHBondContact O-N 2.79Å; R256-V270 HydrophobicContact CB-CG2 4.29Å; R256-V270 HydrophobicContact CG-CG2 3.76Å |
| 271 | D | 88.4 | Confident | 80.2 | Confident | 40 Ų | 40 | 41.3 Ų | 41.3 | 21% | 0.214 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 156.1 | -171.6 | -148.5 | -30.8 | 0 | 0 | 0 | 111 | K2 I253 T254 H273 | K2-D271 HydrophobicContact CB-CB 4.47Å; K2-D271 VanDerWaalsContact CB-CG 3.44Å; K2-D271 WeakPolarHBondContact CB-OD1 3.46Å; K2-D271 WeakPolarHBondContact CD-OD1 3.29Å; I253-D271 CarbonylContact C-O 3.52Å; I253-D271 WeakPolarHBondContact CA-O 3.4Å; T254-D271 PolarHBondContact N-O 3.04Å; T254-D271 PolarHBondContact O-N 3Å; T254-D271 WeakPolarHBondContact OG1-CA 3.49Å; T254-D271 WeakPolarHBondContact OG1-CB 3.5Å; T254-D271 PolarHBondContact OG1-N 2.99Å; T254-D271 PolarHBondContact OG1-O 3.27Å; D271-H273 WeakPolarHBondContact CB-NE2 3.46Å; D271-H273 IonicContact OD1-CE1 2.9Å; D271-H273 PolarHBondContact OD1-CE1 2.9Å; D271-H273 VanDerWaalsContact OD1-CE1 3.28Å; D271-H273 IonicContact OD1-NE2 3.3Å; D271-H273 PolarHBondContact OD1-NE2 3.17Å; D271-H273 IonicContact OD2-CE1 3.54Å; D271-H273 IonicContact OD2-NE2 2.62Å |
| 272 | F | 91.8 | Very high | 81 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 139 | 176.1 | 61.5 | -90 | 0 | 0 | 0 | 110.3 | K2 F5 Y252 F291 V295 F298 F299 | K2-F272 HydrophobicContact CB-CE1 4.33Å; K2-F272 HydrophobicContact CD-CE1 4.19Å; K2-F272 HydrophobicContact CD-CE2 4.3Å; K2-F272 HydrophobicContact CD-CZ 4.07Å; K2-F272 HydrophobicContact CG-CE1 4.1Å; K2-F272 HydrophobicContact CG-CZ 4.17Å; K2-F272 PolarHBondContact NZ-O 3Å; F5-F272 AromaticContact CD1-CE2 3.71Å; F5-F272 HydrophobicContact CD1-CE2 3.71Å; F5-F272 AromaticContact CD1-CZ 3.72Å; F5-F272 HydrophobicContact CD1-CZ 3.72Å; F5-F272 AromaticContact CE1-CE2 3.5Å; F5-F272 HydrophobicContact CE1-CE2 3.5Å; F5-F272 VanDerWaalsContact CE1-CE2 3.5Å; F5-F272 AromaticContact CE1-CZ 3.68Å; F5-F272 HydrophobicContact CE1-CZ 3.68Å; Y252-F272 CarbonylContact O-C 3.58Å; Y252-F272 VanDerWaalsContact O-CA 3.26Å; Y252-F272 WeakPolarHBondContact O-CA 3.49Å; F272-F291 AromaticContact CD2-CE2 3.83Å; F272-F291 HydrophobicContact CD2-CE2 3.83Å; F272-F291 AromaticContact CD2-CZ 3.81Å; F272-F291 HydrophobicContact CD2-CZ 3.81Å; F272-F291 HydrophobicContact CE2-CE2 4.46Å; F272-F291 AromaticContact CE2-CZ 3.98Å; F272-F291 HydrophobicContact CE2-CZ 3.98Å; F272-V295 HydrophobicContact CD2-CG2 3.97Å; F272-V295 HydrophobicContact CE2-CG2 4.21Å; F272-F298 HydrophobicContact CB-CD2 4.38Å; F272-F298 HydrophobicContact CB-CG 4.4Å; F272-F298 HydrophobicContact CD1-CB 4.44Å; F272-F298 AromaticContact CD1-CD1 3.52Å; F272-F298 HydrophobicContact CD1-CD1 3.52Å; F272-F298 HydrophobicContact CD1-CD2 4.08Å; F272-F298 AromaticContact CD1-CE1 3.64Å; F272-F298 HydrophobicContact CD1-CE1 3.64Å; F272-F298 HydrophobicContact CD1-CE2 4.18Å; F272-F298 AromaticContact CD1-CG 3.75Å; F272-F298 HydrophobicContact CD1-CG 3.75Å; F272-F298 AromaticContact CD1-CZ 3.97Å; F272-F298 HydrophobicContact CD1-CZ 3.97Å; F272-F298 AromaticContact CE1-CD1 3.88Å; F272-F298 HydrophobicContact CE1-CD1 3.88Å; F272-F298 AromaticContact CE1-CE1 3.8Å; F272-F298 HydrophobicContact CE1-CE1 3.8Å; F272-F298 HydrophobicContact CE1-CZ 4.41Å; F272-F298 HydrophobicContact CG-CG 4.43Å; F272-F299 HydrophobicContact CD1-CE2 4.48Å; F272-F299 AromaticContact CE1-CE2 3.75Å; F272-F299 HydrophobicContact CE1-CE2 3.75Å; F272-F299 AromaticContact CE1-CZ 3.87Å; F272-F299 HydrophobicContact CE1-CZ 3.87Å; F272-F299 AromaticContact CZ-CE2 3.87Å; F272-F299 HydrophobicContact CZ-CE2 3.87Å; F272-F299 HydrophobicContact CZ-CZ 4.09Å |
| 273 | H | 89.7 | Confident | 82 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 7% | 0.065 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 145.1 | -175 | -56.4 | -72.8 | 0 | 0 | 0 | 111.6 | Y252 D271 F275 F277 L280 | Y252-H273 PolarHBondContact N-O 3.35Å; Y252-H273 PolarHBondContact O-N 3.39Å; D271-H273 WeakPolarHBondContact CB-NE2 3.46Å; D271-H273 IonicContact OD1-CE1 2.9Å; D271-H273 PolarHBondContact OD1-CE1 2.9Å; D271-H273 VanDerWaalsContact OD1-CE1 3.28Å; D271-H273 IonicContact OD1-NE2 3.3Å; D271-H273 PolarHBondContact OD1-NE2 3.17Å; D271-H273 IonicContact OD2-CE1 3.54Å; D271-H273 IonicContact OD2-NE2 2.62Å; H273-F275 VanDerWaalsContact CB-O 3.32Å; H273-F275 WeakPolarHBondContact CB-O 3.3Å; H273-F275 PolarHBondContact O-N 2.93Å; H273-F277 HydrophobicContact CB-CD2 4.09Å; H273-F277 HydrophobicContact CB-CE2 3.86Å; H273-F277 AromaticContact CG-CD2 3.87Å; H273-F277 AromaticContact CG-CE2 3.82Å; H273-F277 AromaticContact ND1-CD2 3.76Å; H273-F277 AromaticContact ND1-CE2 3.49Å; H273-F277 WeakPolarHBondContact ND1-CE2 3.23Å; H273-L280 WeakPolarHBondContact CD2-CD1 3.45Å; H273-L280 WeakPolarHBondContact NE2-CD1 3.27Å |
| 274 | P | 88.5 | Confident | 83 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -77.7 | -6.7 | 172.7 | 30.7 | -33 | 0 | 0 | 0 | 112.8 | I8 D9 A12 K250 F291 | I8-P274 HydrophobicContact CG2-CG 3.75Å; D9-P274 WeakPolarHBondContact OD1-CD 3.43Å; A12-P274 HydrophobicContact CB-CB 3.49Å; A12-P274 VanDerWaalsContact CB-CB 3.49Å; A12-P274 HydrophobicContact CB-CG 4.15Å; K250-P274 CarbonylContact O-C 3.55Å; P274-F291 HydrophobicContact CB-CD2 3.71Å; P274-F291 HydrophobicContact CB-CE2 4.03Å; P274-F291 HydrophobicContact CB-CG 4.09Å; P274-F291 HydrophobicContact CG-CE2 4.37Å |
| 275 | F | 85.4 | Confident | 83.9 | Confident | 55 Ų | 55 | 44.9 Ų | 44.9 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -148.4 | 144.6 | -176.7 | -175.8 | -93.9 | 0 | 0 | 0 | 110.2 | H204 H273 F277 | H204-F275 AromaticContact CD2-CE1 3.86Å; H204-F275 AromaticContact CE1-CE1 3.7Å; H204-F275 AromaticContact NE2-CE1 3.37Å; H204-F275 WeakPolarHBondContact NE2-CE1 3.45Å; H204-F275 AromaticContact NE2-CZ 3.87Å; H273-F275 VanDerWaalsContact CB-O 3.32Å; H273-F275 WeakPolarHBondContact CB-O 3.3Å; H273-F275 PolarHBondContact O-N 2.93Å; F275-F277 HydrophobicContact CB-CE1 4.46Å; F275-F277 AromaticContact CD1-CD1 3.89Å; F275-F277 HydrophobicContact CD1-CD1 3.89Å; F275-F277 HydrophobicContact CD1-CE1 4.21Å; F275-F277 HydrophobicContact CD1-CG 4.4Å; F275-F277 PolarHBondContact O-N 3.13Å |
| 276 | L | 86.7 | Confident | 84.9 | Confident | 61 Ų | 61 | 44.5 Ų | 44.5 | 32% | 0.319 | 24% | 0.236 | S | C | . | . | trans | -77.5 | 90.2 | 174.8 | -174.7 | 65.1 | 0 | 0 | 0 | 109.9 | Y252 V285 | Y252-L276 HydrophobicContact CD1-CB 4.26Å; Y252-L276 HydrophobicContact CD1-CD1 4.41Å; Y252-L276 HydrophobicContact CD2-CB 4.37Å; Y252-L276 HydrophobicContact CE1-CB 4.07Å; Y252-L276 HydrophobicContact CE2-CB 4.2Å; Y252-L276 HydrophobicContact CG-CB 4.39Å; L276-V285 HydrophobicContact CD1-CG1 4.2Å; L276-V285 HydrophobicContact CD1-CG2 4Å | ||
| 277 | F | 86.5 | Confident | 85.8 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | trans | -67.5 | 141.1 | 178.7 | -60.6 | -68.4 | 0 | 0 | 0 | 111.7 | I8 A200 L201 H204 H273 F275 Q279 L280 | I8-F277 HydrophobicContact CD1-CZ 4.42Å; A200-F277 HydrophobicContact CB-CD2 4.29Å; A200-F277 HydrophobicContact CB-CE1 4.24Å; A200-F277 HydrophobicContact CB-CE2 3.93Å; A200-F277 HydrophobicContact CB-CZ 3.89Å; L201-F277 HydrophobicContact CB-CE1 4.26Å; L201-F277 HydrophobicContact CD1-CE1 4.3Å; H204-F277 HydrophobicContact CB-CB 4.4Å; H204-F277 HydrophobicContact CB-CD1 3.77Å; H273-F277 HydrophobicContact CB-CD2 4.09Å; H273-F277 HydrophobicContact CB-CE2 3.86Å; H273-F277 AromaticContact CG-CD2 3.87Å; H273-F277 AromaticContact CG-CE2 3.82Å; H273-F277 AromaticContact ND1-CD2 3.76Å; H273-F277 AromaticContact ND1-CE2 3.49Å; H273-F277 WeakPolarHBondContact ND1-CE2 3.23Å; F275-F277 HydrophobicContact CB-CE1 4.46Å; F275-F277 AromaticContact CD1-CD1 3.89Å; F275-F277 HydrophobicContact CD1-CD1 3.89Å; F275-F277 HydrophobicContact CD1-CE1 4.21Å; F275-F277 HydrophobicContact CD1-CG 4.4Å; F275-F277 PolarHBondContact O-N 3.13Å; F277-Q279 VanDerWaalsContact CB-CD 3.46Å; F277-Q279 HydrophobicContact CB-CG 4.28Å; F277-Q279 PolarHBondContact O-N 3.49Å; F277-Q279 VanDerWaalsContact O-N 3.11Å; F277-L280 HydrophobicContact CB-CD1 4.18Å; F277-L280 HydrophobicContact CB-CG 4.35Å; F277-L280 HydrophobicContact CD2-CD1 4.13Å; F277-L280 WeakPolarHBondContact O-CA 3.42Å; F277-L280 VanDerWaalsContact O-CB 3.31Å; F277-L280 WeakPolarHBondContact O-CB 3.45Å; F277-L280 PolarHBondContact O-N 3.11Å | ||
| 278 | A | 83.7 | Confident | 86.3 | Confident | 17 Ų | 17 | 47.1 Ų | 47.1 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -56.7 | -30.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | H204 L280 N281 | H204-A278 WeakPolarHBondContact ND1-CB 3.35Å; H204-A278 PolarHBondContact ND1-N 3.45Å; A278-L280 PolarHBondContact O-N 3.38Å; A278-N281 PolarHBondContact O-N 3.43Å |
| 279 | Q | 84.3 | Confident | 86.8 | Confident | 43 Ų | 43 | 51.1 Ų | 51.1 | 20% | 0.201 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -68.9 | -9.4 | 173.9 | 63.7 | -88.4 | 23.8 | 0 | 0 | 114 | A200 F277 | A200-Q279 PolarHBondContact O-NE2 3.38Å; F277-Q279 VanDerWaalsContact CB-CD 3.46Å; F277-Q279 HydrophobicContact CB-CG 4.28Å; F277-Q279 PolarHBondContact O-N 3.49Å; F277-Q279 VanDerWaalsContact O-N 3.11Å |
| 280 | L | 83.1 | Confident | 87 | Confident | 30 Ų | 30 | 53.5 Ų | 53.5 | 16% | 0.157 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -105.6 | 2 | 179.6 | -57.2 | 174.3 | 0 | 0 | 0 | 113.4 | T254 H273 F277 A278 E282 A283 | T254-L280 HydrophobicContact CG2-CD1 4.02Å; T254-L280 HydrophobicContact CG2-CD2 4.06Å; T254-L280 HydrophobicContact CG2-CG 4.43Å; H273-L280 WeakPolarHBondContact CD2-CD1 3.45Å; H273-L280 WeakPolarHBondContact NE2-CD1 3.27Å; F277-L280 HydrophobicContact CB-CD1 4.18Å; F277-L280 HydrophobicContact CB-CG 4.35Å; F277-L280 HydrophobicContact CD2-CD1 4.13Å; F277-L280 WeakPolarHBondContact O-CA 3.42Å; F277-L280 VanDerWaalsContact O-CB 3.31Å; F277-L280 WeakPolarHBondContact O-CB 3.45Å; F277-L280 PolarHBondContact O-N 3.11Å; A278-L280 PolarHBondContact O-N 3.38Å; L280-E282 PolarHBondContact O-N 2.96Å; L280-A283 WeakPolarHBondContact O-CB 3.32Å; L280-A283 PolarHBondContact O-N 3.27Å |
| 281 | N | 79.6 | Confident | 87.4 | Confident | 114 Ų | 114 | 51.9 Ų | 51.9 | 61% | 0.61 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26 | -178.3 | -74.8 | -5.1 | 0 | 0 | 0 | 113.5 | A278 | A278-N281 PolarHBondContact O-N 3.43Š|
| 282 | E | 80.9 | Confident | 87.6 | Confident | 182 Ų | 182 | 51.1 Ų | 51.1 | 85% | 0.85 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -9 | 176.4 | -66.8 | 171.4 | -162.6 | 0 | 0 | 113 | L280 | L280-E282 PolarHBondContact O-N 2.96Š|
| 283 | A | 81.5 | Confident | 87.5 | Confident | 44 Ų | 44 | 52.7 Ų | 52.7 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -87.6 | 154.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T254 L280 V285 | T254-A283 HydrophobicContact CG2-CB 4.42Å; L280-A283 WeakPolarHBondContact O-CB 3.32Å; L280-A283 PolarHBondContact O-N 3.27Å; A283-V285 PolarHBondContact O-N 3.45Å |
| 284 | T | 87.3 | Confident | 87.7 | Confident | 72 Ų | 72 | 52 Ų | 52 | 44% | 0.442 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 120.3 | 169.8 | 39.1 | 0 | 0 | 0 | 0 | 110.3 | T254 F255 | T254-T284 WeakPolarHBondContact CA-O 3.49Å; F255-T284 VanDerWaalsContact CD1-O 3.27Å; F255-T284 WeakPolarHBondContact CD1-O 3.39Å; F255-T284 HydrophobicContact CZ-CG2 4.45Å; F255-T284 PolarHBondContact N-O 3.26Å; F255-T284 PolarHBondContact O-OG1 3.03Å |
| 285 | V | 88.5 | Confident | 87.9 | Confident | 47 Ų | 47 | 51.9 Ų | 51.9 | 29% | 0.285 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 141.4 | -172.7 | -175.8 | 0 | 0 | 0 | 0 | 111.2 | Y252 I253 T254 L276 A283 | Y252-V285 HydrophobicContact CD1-CG1 3.82Å; Y252-V285 HydrophobicContact CG-CG1 4.29Å; I253-V285 CarbonylContact O-C 3.48Å; I253-V285 WeakPolarHBondContact O-CA 3.35Å; T254-V285 HydrophobicContact CG2-CG2 4.05Å; L276-V285 HydrophobicContact CD1-CG1 4.2Å; L276-V285 HydrophobicContact CD1-CG2 4Å; A283-V285 PolarHBondContact O-N 3.45Å |
| 286 | K | 89.9 | Confident | 88.1 | Confident | 52 Ų | 52 | 49.7 Ų | 49.7 | 23% | 0.226 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132.4 | 166.1 | -62.9 | -169 | 178.7 | -170.5 | 0 | 110 | Y252 I253 F255 E267 Y269 F288 | Y252-K286 CarbonylContact C-O 3.57Å; Y252-K286 WeakPolarHBondContact CA-O 3.2Å; I253-K286 PolarHBondContact N-O 3.2Å; I253-K286 PolarHBondContact O-N 3.27Å; F255-K286 HydrophobicContact CD1-CD 4.37Å; F255-K286 HydrophobicContact CD1-CG 3.76Å; F255-K286 HydrophobicContact CE1-CD 4.26Å; F255-K286 HydrophobicContact CE1-CG 3.49Å; F255-K286 VanDerWaalsContact CE1-CG 3.49Å; F255-K286 HydrophobicContact CZ-CG 4.38Å; E267-K286 WeakPolarHBondContact OE1-CE 3.4Å; E267-K286 IonicContact OE1-NZ 3.76Å; E267-K286 PolarHBondContact OE1-NZ 3.19Å; E267-K286 IonicContact OE2-NZ 2.75Å; E267-K286 PolarHBondContact OE2-NZ 3.25Å; Y269-K286 HydrophobicContact CE1-CD 4.37Å; K286-F288 HydrophobicContact CB-CE2 3.75Å; K286-F288 HydrophobicContact CB-CZ 4.33Å |
| 287 | E | 91.8 | Very high | 88.2 | Confident | 115 Ų | 115 | 48 Ų | 48 | 54% | 0.537 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 140.1 | 177.9 | -174.8 | 177.7 | 154.9 | 0 | 0 | 110.7 | K250 G251 Y252 | K250-E287 HydrophobicContact CD-CG 4.3Å; K250-E287 WeakPolarHBondContact CD-OE1 2.95Å; K250-E287 WeakPolarHBondContact CE-OE1 3.48Å; K250-E287 IonicContact NZ-OE1 2.8Å; K250-E287 PolarHBondContact NZ-OE1 3.27Å; G251-E287 CarbonylContact O-C 3.5Å; Y252-E287 HydrophobicContact CD1-CB 4.31Å; Y252-E287 HydrophobicContact CD1-CG 4.33Å; Y252-E287 HydrophobicContact CE1-CB 4.2Å; Y252-E287 HydrophobicContact CE1-CG 3.83Å |
| 288 | F | 92 | Very high | 88.4 | Confident | 35 Ų | 35 | 47.9 Ų | 47.9 | 15% | 0.154 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 149.8 | 178 | -67.4 | -95.2 | 0 | 0 | 0 | 110.3 | K250 G251 I253 K286 T290 A293 A294 E297 | K250-F288 WeakPolarHBondContact CB-O 3.19Å; G251-F288 PolarHBondContact N-O 3.21Å; G251-F288 PolarHBondContact O-N 3.46Å; I253-F288 HydrophobicContact CB-CE2 4.09Å; I253-F288 HydrophobicContact CD1-CD2 4.09Å; I253-F288 HydrophobicContact CD1-CE2 3.31Å; I253-F288 HydrophobicContact CD1-CZ 3.66Å; I253-F288 HydrophobicContact CG1-CD2 4.06Å; I253-F288 HydrophobicContact CG1-CE2 3.58Å; I253-F288 HydrophobicContact CG1-CZ 4.42Å; K286-F288 HydrophobicContact CB-CE2 3.75Å; K286-F288 HydrophobicContact CB-CZ 4.33Å; F288-T290 VanDerWaalsContact C-N 3.26Å; F288-T290 PolarHBondContact O-N 3.48Å; F288-A293 HydrophobicContact CB-CB 4.27Å; F288-A293 HydrophobicContact CD1-CB 4.38Å; F288-A294 HydrophobicContact CB-CB 4Å; F288-A294 HydrophobicContact CD2-CB 3.71Å; F288-A294 HydrophobicContact CE2-CB 4.46Å; F288-A294 HydrophobicContact CG-CB 3.91Å; F288-E297 HydrophobicContact CE1-CB 3.86Å; F288-E297 HydrophobicContact CE1-CG 3.78Å; F288-E297 HydrophobicContact CZ-CB 4.04Å; F288-E297 HydrophobicContact CZ-CG 3.68Å |
| 289 | P | 90.5 | Very high | 88.6 | Confident | 109 Ų | 109 | 47.2 Ų | 47.2 | 71% | 0.708 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -57.8 | -36.8 | -178.4 | -25.5 | 34.1 | 0 | 0 | 0 | 114 | ||
| 290 | T | 91.6 | Very high | 88.4 | Confident | 52 Ų | 52 | 46 Ų | 46 | 32% | 0.319 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -132.6 | 155.3 | -179.4 | 60.9 | 0 | 0 | 0 | 0 | 110.7 | G251 F288 N292 A293 A294 | G251-T290 PolarHBondContact N-O 3.03Å; F288-T290 VanDerWaalsContact C-N 3.26Å; F288-T290 PolarHBondContact O-N 3.48Å; T290-N292 VanDerWaalsContact C-N 3.26Å; T290-N292 PolarHBondContact O-N 3.26Å; T290-A293 PolarHBondContact O-N 3.22Å; T290-A293 WeakPolarHBondContact OG1-CB 3.39Å; T290-A293 PolarHBondContact OG1-N 2.76Å; T290-A293 VanDerWaalsContact OG1-N 3.15Å; T290-A294 PolarHBondContact O-N 3.29Å |
| 291 | F | 93.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61 | -40 | 173.6 | 179 | -114.3 | 0 | 0 | 0 | 111.3 | F5 D9 A12 I13 D16 C249 F272 P274 A293 A294 V295 | F5-F291 HydrophobicContact CZ-CE1 4.35Å; D9-F291 HydrophobicContact CB-CE1 4Å; D9-F291 HydrophobicContact CB-CZ 3.71Å; D9-F291 WeakPolarHBondContact O-CE1 3.29Å; A12-F291 HydrophobicContact CB-CB 4.21Å; A12-F291 HydrophobicContact CB-CD1 3.6Å; A12-F291 HydrophobicContact CB-CE1 4.09Å; A12-F291 HydrophobicContact CB-CG 3.89Å; I13-F291 HydrophobicContact CB-CD1 4.15Å; I13-F291 HydrophobicContact CB-CE1 4.18Å; I13-F291 HydrophobicContact CD1-CD1 4.18Å; D16-F291 WeakPolarHBondContact OD2-CB 3.37Å; D16-F291 PolarHBondContact OD2-N 3.33Å; D16-F291 VanDerWaalsContact OD2-N 3.12Å; C249-F291 PolarHBondContact O-N 3.13Å; F272-F291 AromaticContact CD2-CE2 3.83Å; F272-F291 HydrophobicContact CD2-CE2 3.83Å; F272-F291 AromaticContact CD2-CZ 3.81Å; F272-F291 HydrophobicContact CD2-CZ 3.81Å; F272-F291 HydrophobicContact CE2-CE2 4.46Å; F272-F291 AromaticContact CE2-CZ 3.98Å; F272-F291 HydrophobicContact CE2-CZ 3.98Å; P274-F291 HydrophobicContact CB-CD2 3.71Å; P274-F291 HydrophobicContact CB-CE2 4.03Å; P274-F291 HydrophobicContact CB-CG 4.09Å; P274-F291 HydrophobicContact CG-CE2 4.37Å; F291-A293 VanDerWaalsContact C-N 3.35Å; F291-A293 PolarHBondContact O-N 3.4Å; F291-A294 WeakPolarHBondContact O-CB 3.43Å; F291-A294 PolarHBondContact O-N 2.84Å; F291-V295 HydrophobicContact CD1-CG2 4.11Å; F291-V295 HydrophobicContact CD2-CG2 4.34Å; F291-V295 HydrophobicContact CE1-CG2 3.69Å; F291-V295 HydrophobicContact CE2-CG2 3.95Å; F291-V295 HydrophobicContact CG-CG2 4.43Å; F291-V295 HydrophobicContact CZ-CG2 3.6Å; F291-V295 WeakPolarHBondContact O-CG2 3.22Å; F291-V295 PolarHBondContact O-N 2.76Å |
| 292 | N | 92.4 | Very high | 88.4 | Confident | 24 Ų | 24 | 44.7 Ų | 44.7 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54.3 | -45.3 | 174.4 | -179.6 | 55.2 | 0 | 0 | 0 | 113 | I13 D16 H58 T59 T290 V295 D296 | I13-N292 HydrophobicContact CD1-CB 3.89Å; D16-N292 HydrophobicContact CB-CB 3.92Å; D16-N292 VanDerWaalsContact OD2-CB 3.28Å; D16-N292 WeakPolarHBondContact OD2-CB 3.23Å; D16-N292 PolarHBondContact OD2-N 3.2Å; H58-N292 WeakPolarHBondContact CA-OD1 3.41Å; H58-N292 VanDerWaalsContact CB-OD1 3.28Å; H58-N292 WeakPolarHBondContact CB-OD1 3.36Å; T59-N292 PolarHBondContact N-OD1 2.96Å; T59-N292 PolarHBondContact OG1-ND2 3.38Å; T59-N292 PolarHBondContact OG1-OD1 3.4Å; T290-N292 VanDerWaalsContact C-N 3.26Å; T290-N292 PolarHBondContact O-N 3.26Å; N292-V295 PolarHBondContact O-N 3.32Å; N292-D296 PolarHBondContact O-N 3.36Å |
| 293 | A | 91.3 | Very high | 87.6 | Confident | 33 Ų | 33 | 41.7 Ų | 41.7 | 27% | 0.273 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F288 T290 F291 D296 E297 | F288-A293 HydrophobicContact CB-CB 4.27Å; F288-A293 HydrophobicContact CD1-CB 4.38Å; T290-A293 PolarHBondContact O-N 3.22Å; T290-A293 WeakPolarHBondContact OG1-CB 3.39Å; T290-A293 PolarHBondContact OG1-N 2.76Å; T290-A293 VanDerWaalsContact OG1-N 3.15Å; F291-A293 VanDerWaalsContact C-N 3.35Å; F291-A293 PolarHBondContact O-N 3.4Å; A293-D296 PolarHBondContact O-N 3.15Å; A293-E297 WeakPolarHBondContact O-CB 3.21Å; A293-E297 PolarHBondContact O-N 3.26Å |
| 294 | A | 92.7 | Very high | 87 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.8 | -40.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I253 F288 T290 F291 F298 | I253-A294 HydrophobicContact CD1-CB 4.28Å; I253-A294 VanDerWaalsContact CD1-O 3.23Å; I253-A294 WeakPolarHBondContact CD1-O 3.43Å; I253-A294 HydrophobicContact CG1-CB 3.91Å; F288-A294 HydrophobicContact CB-CB 4Å; F288-A294 HydrophobicContact CD2-CB 3.71Å; F288-A294 HydrophobicContact CE2-CB 4.46Å; F288-A294 HydrophobicContact CG-CB 3.91Å; T290-A294 PolarHBondContact O-N 3.29Å; F291-A294 WeakPolarHBondContact O-CB 3.43Å; F291-A294 PolarHBondContact O-N 2.84Å; A294-F298 VanDerWaalsContact O-CB 3.24Å; A294-F298 WeakPolarHBondContact O-CB 3.29Å; A294-F298 PolarHBondContact O-N 3.37Å |
| 295 | V | 92.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.5 | -46.2 | 177.2 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | F5 H58 F272 F291 N292 E297 F298 F299 | F5-V295 HydrophobicContact CE1-CG1 4.01Å; F5-V295 HydrophobicContact CE1-CG2 4.11Å; F5-V295 HydrophobicContact CZ-CG1 3.77Å; F5-V295 HydrophobicContact CZ-CG2 3.94Å; H58-V295 HydrophobicContact CB-CB 4.32Å; H58-V295 HydrophobicContact CB-CG1 3.81Å; H58-V295 VanDerWaalsContact ND1-CG1 3.28Å; H58-V295 WeakPolarHBondContact ND1-CG1 3.42Å; F272-V295 HydrophobicContact CD2-CG2 3.97Å; F272-V295 HydrophobicContact CE2-CG2 4.21Å; F291-V295 HydrophobicContact CD1-CG2 4.11Å; F291-V295 HydrophobicContact CD2-CG2 4.34Å; F291-V295 HydrophobicContact CE1-CG2 3.69Å; F291-V295 HydrophobicContact CE2-CG2 3.95Å; F291-V295 HydrophobicContact CG-CG2 4.43Å; F291-V295 HydrophobicContact CZ-CG2 3.6Å; F291-V295 WeakPolarHBondContact O-CG2 3.22Å; F291-V295 PolarHBondContact O-N 2.76Å; N292-V295 PolarHBondContact O-N 3.32Å; V295-E297 PolarHBondContact O-N 3.15Å; V295-F298 PolarHBondContact O-N 3.18Å; V295-F299 HydrophobicContact CG1-CD2 3.62Å; V295-F299 HydrophobicContact CG1-CE2 3.87Å; V295-F299 WeakPolarHBondContact O-CD2 3.36Å; V295-F299 PolarHBondContact O-N 3.2Å |
| 296 | D | 90.8 | Very high | 85.8 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 179.5 | -166.9 | 33.7 | 0 | 0 | 0 | 111.2 | H58 T60 E61 F62 N292 A293 S300 | H58-D296 IonicContact CD2-OD1 3.05Å; H58-D296 IonicContact NE2-OD1 3.9Å; T60-D296 WeakPolarHBondContact CA-OD1 2.99Å; T60-D296 WeakPolarHBondContact CA-OD2 3.48Å; T60-D296 WeakPolarHBondContact CB-OD1 3.29Å; T60-D296 PolarHBondContact OG1-OD1 2.72Å; E61-D296 PolarHBondContact N-OD2 2.88Å; F62-D296 WeakPolarHBondContact CD2-OD1 3.38Å; F62-D296 VanDerWaalsContact CD2-OD2 3.22Å; F62-D296 WeakPolarHBondContact CD2-OD2 3.33Å; F62-D296 WeakPolarHBondContact CE2-OD2 3.46Å; N292-D296 PolarHBondContact O-N 3.36Å; A293-D296 PolarHBondContact O-N 3.15Å; D296-S300 WeakPolarHBondContact O-CB 3.24Å; D296-S300 PolarHBondContact O-N 3.19Å; D296-S300 PolarHBondContact O-OG 3.38Å |
| 297 | E | 89.1 | Confident | 84.6 | Confident | 26 Ų | 26 | 41.4 Ų | 41.4 | 12% | 0.121 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.4 | -40.7 | 175.3 | -174.4 | 69.5 | -168.8 | 0 | 0 | 112.3 | I253 Y269 F288 A293 V295 S300 R301 | I253-E297 HydrophobicContact CD1-CB 4.08Å; I253-E297 HydrophobicContact CD1-CG 4.15Å; Y269-E297 HydrophobicContact CE2-CG 4.07Å; F288-E297 HydrophobicContact CE1-CB 3.86Å; F288-E297 HydrophobicContact CE1-CG 3.78Å; F288-E297 HydrophobicContact CZ-CB 4.04Å; F288-E297 HydrophobicContact CZ-CG 3.68Å; A293-E297 WeakPolarHBondContact O-CB 3.21Å; A293-E297 PolarHBondContact O-N 3.26Å; V295-E297 PolarHBondContact O-N 3.15Å; E297-S300 WeakPolarHBondContact CA-OG 2.99Å; E297-S300 PolarHBondContact O-OG 3.42Å; E297-S300 VanDerWaalsContact O-OG 3.05Å; E297-R301 WeakPolarHBondContact O-CG 2.98Å; E297-R301 PolarHBondContact O-N 3.15Å; E297-R301 IonicContact OE1-CZ 3.42Å; E297-R301 IonicContact OE1-NE 3.87Å; E297-R301 PolarHBondContact OE1-NE 3Å; E297-R301 IonicContact OE1-NH2 3.33Å; E297-R301 PolarHBondContact OE1-NH2 3.41Å |
| 298 | F | 90.4 | Very high | 83.6 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.3 | -50.5 | 179.1 | -177.6 | -93.6 | 0 | 0 | 0 | 111.9 | M1 I253 Y269 F272 A294 V295 L302 | M1-F298 HydrophobicContact CG-CZ 3.85Å; I253-F298 HydrophobicContact CD1-CB 4.1Å; I253-F298 HydrophobicContact CG2-CD2 4.07Å; Y269-F298 HydrophobicContact CD2-CD2 4.24Å; Y269-F298 HydrophobicContact CG-CD2 4.39Å; F272-F298 HydrophobicContact CB-CD2 4.38Å; F272-F298 HydrophobicContact CB-CG 4.4Å; F272-F298 HydrophobicContact CD1-CB 4.44Å; F272-F298 AromaticContact CD1-CD1 3.52Å; F272-F298 HydrophobicContact CD1-CD1 3.52Å; F272-F298 HydrophobicContact CD1-CD2 4.08Å; F272-F298 AromaticContact CD1-CE1 3.64Å; F272-F298 HydrophobicContact CD1-CE1 3.64Å; F272-F298 HydrophobicContact CD1-CE2 4.18Å; F272-F298 AromaticContact CD1-CG 3.75Å; F272-F298 HydrophobicContact CD1-CG 3.75Å; F272-F298 AromaticContact CD1-CZ 3.97Å; F272-F298 HydrophobicContact CD1-CZ 3.97Å; F272-F298 AromaticContact CE1-CD1 3.88Å; F272-F298 HydrophobicContact CE1-CD1 3.88Å; F272-F298 AromaticContact CE1-CE1 3.8Å; F272-F298 HydrophobicContact CE1-CE1 3.8Å; F272-F298 HydrophobicContact CE1-CZ 4.41Å; F272-F298 HydrophobicContact CG-CG 4.43Å; A294-F298 VanDerWaalsContact O-CB 3.24Å; A294-F298 WeakPolarHBondContact O-CB 3.29Å; A294-F298 PolarHBondContact O-N 3.37Å; V295-F298 PolarHBondContact O-N 3.18Å; F298-L302 PolarHBondContact O-N 3.39Å |
| 299 | F | 86.9 | Confident | 82.9 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -80.7 | -26.8 | -173.9 | -78.6 | -73.2 | 0 | 0 | 0 | 113.9 | F5 V55 R56 F272 V295 L302 | F5-F299 HydrophobicContact CE1-CE2 4.22Å; V55-F299 HydrophobicContact CG1-CE1 4.23Å; V55-F299 HydrophobicContact CG1-CZ 4.24Å; R56-F299 HydrophobicContact CB-CE2 4Å; R56-F299 HydrophobicContact CB-CZ 4.11Å; R56-F299 VanDerWaalsContact CD-CD2 3.4Å; R56-F299 VanDerWaalsContact CD-CE2 3.46Å; R56-F299 VanDerWaalsContact CD-CG 3.47Å; R56-F299 HydrophobicContact CG-CE2 4.34Å; R56-F299 HydrophobicContact CG-CZ 4.42Å; R56-F299 VanDerWaalsContact CZ-CB 3.49Å; R56-F299 VanDerWaalsContact NH1-CG 3.31Å; F272-F299 HydrophobicContact CD1-CE2 4.48Å; F272-F299 AromaticContact CE1-CE2 3.75Å; F272-F299 HydrophobicContact CE1-CE2 3.75Å; F272-F299 AromaticContact CE1-CZ 3.87Å; F272-F299 HydrophobicContact CE1-CZ 3.87Å; F272-F299 AromaticContact CZ-CE2 3.87Å; F272-F299 HydrophobicContact CZ-CE2 3.87Å; F272-F299 HydrophobicContact CZ-CZ 4.09Å; V295-F299 HydrophobicContact CG1-CD2 3.62Å; V295-F299 HydrophobicContact CG1-CE2 3.87Å; V295-F299 WeakPolarHBondContact O-CD2 3.36Å; V295-F299 PolarHBondContact O-N 3.2Å; F299-L302 HydrophobicContact CD1-CD2 3.78Å; F299-L302 HydrophobicContact CE1-CD2 4.14Å; F299-L302 WeakPolarHBondContact O-CB 3.48Å; F299-L302 PolarHBondContact O-N 2.97Å |
| 300 | S | 81.7 | Confident | 82.3 | Confident | 18 Ų | 18 | 40.2 Ų | 40.2 | 13% | 0.126 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.7 | -42.5 | 170.5 | 59.2 | 0 | 0 | 0 | 0 | 111.5 | F62 D296 E297 L302 | F62-S300 VanDerWaalsContact CE2-OG 3.29Å; F62-S300 WeakPolarHBondContact CE2-OG 3.5Å; F62-S300 WeakPolarHBondContact CZ-OG 3.39Å; D296-S300 WeakPolarHBondContact O-CB 3.24Å; D296-S300 PolarHBondContact O-N 3.19Å; D296-S300 PolarHBondContact O-OG 3.38Å; E297-S300 WeakPolarHBondContact CA-OG 2.99Å; E297-S300 PolarHBondContact O-OG 3.42Å; E297-S300 VanDerWaalsContact O-OG 3.05Å; S300-L302 VanDerWaalsContact C-N 3.32Å; S300-L302 PolarHBondContact O-N 3.42Å |
| 301 | R | 81.3 | Confident | 81.3 | Confident | 92 Ų | 92 | 39.3 Ų | 39.3 | 35% | 0.347 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -75.5 | -17 | 174.3 | -66.6 | -153.8 | -164.1 | -176 | -0.2 | 113.6 | E267 Y269 E297 E303 A304 Q305 | E267-R301 IonicContact OE2-NH1 4Å; Y269-R301 HydrophobicContact CD2-CB 4.11Å; Y269-R301 HydrophobicContact CE2-CB 3.99Å; Y269-R301 HydrophobicContact CE2-CG 3.99Å; Y269-R301 PolarHBondContact OH-NE 3.41Å; Y269-R301 PolarHBondContact OH-NH1 3.36Å; Y269-R301 VanDerWaalsContact OH-NH1 3.13Å; E297-R301 WeakPolarHBondContact O-CG 2.98Å; E297-R301 PolarHBondContact O-N 3.15Å; E297-R301 IonicContact OE1-CZ 3.42Å; E297-R301 IonicContact OE1-NE 3.87Å; E297-R301 PolarHBondContact OE1-NE 3Å; E297-R301 IonicContact OE1-NH2 3.33Å; E297-R301 PolarHBondContact OE1-NH2 3.41Å; R301-E303 VanDerWaalsContact C-N 3.29Å; R301-E303 PolarHBondContact O-N 3.05Å; R301-A304 CarbonylContact O-C 3.44Å; R301-A304 WeakPolarHBondContact O-CB 3.48Å; R301-A304 PolarHBondContact O-N 2.87Å; R301-A304 VanDerWaalsContact O-N 3.14Å; R301-Q305 WeakPolarHBondContact O-CB 3.46Å; R301-Q305 WeakPolarHBondContact O-CG 3.41Å; R301-Q305 PolarHBondContact O-N 3.38Å |
| 302 | L | 79.7 | Confident | 80.8 | Confident | 23 Ų | 23 | 40 Ų | 40 | 12% | 0.12 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.9 | -37.2 | -178.9 | -174.8 | 66.2 | 0 | 0 | 0 | 112.7 | M1 F298 F299 S300 K306 | M1-L302 HydrophobicContact CE-CD1 3.89Å; M1-L302 HydrophobicContact SD-CD1 3.36Å; M1-L302 WeakPolarHBondContact SD-CD1 3.15Å; F298-L302 PolarHBondContact O-N 3.39Å; F299-L302 HydrophobicContact CD1-CD2 3.78Å; F299-L302 HydrophobicContact CE1-CD2 4.14Å; F299-L302 WeakPolarHBondContact O-CB 3.48Å; F299-L302 PolarHBondContact O-N 2.97Å; S300-L302 VanDerWaalsContact C-N 3.32Å; S300-L302 PolarHBondContact O-N 3.42Å; L302-K306 WeakPolarHBondContact O-CB 3.46Å; L302-K306 VanDerWaalsContact O-CG 3.3Å; L302-K306 WeakPolarHBondContact O-CG 3.49Å; L302-K306 PolarHBondContact O-N 3.43Å |
| 303 | E | 65.6 | Low | 80.3 | Confident | 119 Ų | 119 | 44.8 Ų | 44.8 | 56% | 0.556 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -68.4 | -42 | 175.5 | -69.3 | -168.7 | 174 | 0 | 0 | 111.9 | R301 K306 L307 | R301-E303 VanDerWaalsContact C-N 3.29Å; R301-E303 PolarHBondContact O-N 3.05Å; E303-K306 PolarHBondContact O-N 3.22Å; E303-L307 PolarHBondContact O-N 3.48Å |
| 304 | A | 68.5 | Low | 79.9 | Confident | 23 Ų | 23 | 47.5 Ų | 47.5 | 19% | 0.19 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61 | -47.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R301 K306 L307 D308 I499 | R301-A304 CarbonylContact O-C 3.44Å; R301-A304 WeakPolarHBondContact O-CB 3.48Å; R301-A304 PolarHBondContact O-N 2.87Å; R301-A304 VanDerWaalsContact O-N 3.14Å; A304-K306 VanDerWaalsContact C-N 3.34Å; A304-K306 PolarHBondContact O-N 3.17Å; A304-L307 CarbonylContact O-C 3.03Å; A304-L307 WeakPolarHBondContact O-CA 3.43Å; A304-L307 VanDerWaalsContact O-CB 3.29Å; A304-L307 WeakPolarHBondContact O-CB 3.49Å; A304-L307 PolarHBondContact O-N 3.12Å; A304-D308 VanDerWaalsContact O-CG 3.24Å; A304-D308 PolarHBondContact O-N 3.02Å; A304-I499 HydrophobicContact CB-CD1 4.13Å |
| 305 | Q | 76.8 | Confident | 79.3 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.2 | -35.6 | 177.6 | -74.8 | 173 | 5.2 | 0 | 0 | 113.3 | E267 Y269 R301 L307 D308 Q309 | E267-Q305 PolarHBondContact O-NE2 3.29Å; Y269-Q305 VanDerWaalsContact CB-NE2 3.27Å; R301-Q305 WeakPolarHBondContact O-CB 3.46Å; R301-Q305 WeakPolarHBondContact O-CG 3.41Å; R301-Q305 PolarHBondContact O-N 3.38Å; Q305-L307 VanDerWaalsContact C-N 3.26Å; Q305-L307 PolarHBondContact O-N 3.06Å; Q305-D308 PolarHBondContact O-N 3.21Å; Q305-Q309 VanDerWaalsContact O-CB 3.24Å; Q305-Q309 WeakPolarHBondContact O-CB 3.04Å; Q305-Q309 WeakPolarHBondContact O-CG 3.47Å; Q305-Q309 PolarHBondContact O-N 3.22Å |
| 306 | K | 73.1 | Confident | 79 | Confident | 127 Ų | 127 | 53.7 Ų | 53.7 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.2 | -36.9 | 173 | -79.9 | 173 | -177.6 | 171.7 | 0 | 111.3 | L302 E303 A304 K310 | L302-K306 WeakPolarHBondContact O-CB 3.46Å; L302-K306 VanDerWaalsContact O-CG 3.3Å; L302-K306 WeakPolarHBondContact O-CG 3.49Å; L302-K306 PolarHBondContact O-N 3.43Å; E303-K306 PolarHBondContact O-N 3.22Å; A304-K306 VanDerWaalsContact C-N 3.34Å; A304-K306 PolarHBondContact O-N 3.17Å; K306-K310 WeakPolarHBondContact O-CB 3.45Å; K306-K310 PolarHBondContact O-N 3.42Å; K306-K310 VanDerWaalsContact O-N 3.12Å |
| 307 | L | 66 | Low | 78.8 | Confident | 55 Ų | 55 | 55.6 Ų | 55.6 | 29% | 0.288 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.6 | -46.1 | 176.2 | -169.9 | 57.3 | 0 | 0 | 0 | 111 | E303 A304 Q305 K310 Q311 T497 I499 | E303-L307 PolarHBondContact O-N 3.48Å; A304-L307 CarbonylContact O-C 3.03Å; A304-L307 WeakPolarHBondContact O-CA 3.43Å; A304-L307 VanDerWaalsContact O-CB 3.29Å; A304-L307 WeakPolarHBondContact O-CB 3.49Å; A304-L307 PolarHBondContact O-N 3.12Å; Q305-L307 VanDerWaalsContact C-N 3.26Å; Q305-L307 PolarHBondContact O-N 3.06Å; L307-K310 WeakPolarHBondContact O-CB 3.42Å; L307-K310 PolarHBondContact O-N 2.96Å; L307-K310 VanDerWaalsContact O-N 3.17Å; L307-Q311 WeakPolarHBondContact O-CG 3.31Å; L307-Q311 PolarHBondContact O-N 3.14Å; L307-T497 WeakPolarHBondContact CD2-OG1 3.43Å; L307-I499 HydrophobicContact CD2-CD1 4.16Å |
| 308 | D | 69.4 | Low | 78.5 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 25% | 0.251 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 176.2 | -61.4 | -21.6 | 0 | 0 | 0 | 111.3 | I266 A304 Q305 K310 Q311 L312 | I266-D308 HydrophobicContact CG2-CB 4.45Å; A304-D308 VanDerWaalsContact O-CG 3.24Å; A304-D308 PolarHBondContact O-N 3.02Å; Q305-D308 PolarHBondContact O-N 3.21Å; D308-K310 VanDerWaalsContact C-N 3.31Å; D308-K310 PolarHBondContact O-N 3.33Å; D308-Q311 WeakPolarHBondContact O-CB 3.07Å; D308-Q311 PolarHBondContact O-N 2.77Å; D308-L312 VanDerWaalsContact O-CB 3.26Å; D308-L312 WeakPolarHBondContact O-CB 3.44Å; D308-L312 PolarHBondContact O-N 2.99Å |
| 309 | Q | 78.3 | Confident | 78.3 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 174.9 | -79.2 | 178.8 | 11.9 | 0 | 0 | 111.7 | M268 Q305 Q313 | M268-Q309 HydrophobicContact SD-CG 3.94Å; Q305-Q309 VanDerWaalsContact O-CB 3.24Å; Q305-Q309 WeakPolarHBondContact O-CB 3.04Å; Q305-Q309 WeakPolarHBondContact O-CG 3.47Å; Q305-Q309 PolarHBondContact O-N 3.22Å; Q309-Q313 VanDerWaalsContact O-CB 3.3Å; Q309-Q313 WeakPolarHBondContact O-CB 3.08Å; Q309-Q313 WeakPolarHBondContact O-CG 3.46Å; Q309-Q313 PolarHBondContact O-N 3.46Å |
| 310 | K | 77.1 | Confident | 78.4 | Confident | 123 Ų | 123 | 64 Ų | 64 | 54% | 0.535 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.6 | -39.6 | 176.7 | -172.9 | 178.6 | -179.8 | -179.4 | 0 | 111.2 | K306 L307 D308 Q314 | K306-K310 WeakPolarHBondContact O-CB 3.45Å; K306-K310 PolarHBondContact O-N 3.42Å; K306-K310 VanDerWaalsContact O-N 3.12Å; L307-K310 WeakPolarHBondContact O-CB 3.42Å; L307-K310 PolarHBondContact O-N 2.96Å; L307-K310 VanDerWaalsContact O-N 3.17Å; D308-K310 VanDerWaalsContact C-N 3.31Å; D308-K310 PolarHBondContact O-N 3.33Å; K310-Q314 VanDerWaalsContact O-CG 3.27Å; K310-Q314 WeakPolarHBondContact O-CG 3.44Å; K310-Q314 PolarHBondContact O-N 2.87Å |
| 311 | Q | 72 | Confident | 78.8 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 16% | 0.159 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64 | -48.5 | 174 | -72.5 | -179.5 | 4.1 | 0 | 0 | 110.7 | L307 D308 Q313 Q314 E315 V493 K496 | L307-Q311 WeakPolarHBondContact O-CG 3.31Å; L307-Q311 PolarHBondContact O-N 3.14Å; D308-Q311 WeakPolarHBondContact O-CB 3.07Å; D308-Q311 PolarHBondContact O-N 2.77Å; Q311-Q313 VanDerWaalsContact C-N 3.32Å; Q311-Q313 PolarHBondContact O-N 2.94Å; Q311-Q314 CarbonylContact O-C 3.35Å; Q311-Q314 WeakPolarHBondContact O-CA 3.35Å; Q311-Q314 WeakPolarHBondContact O-CB 3.41Å; Q311-Q314 PolarHBondContact O-N 2.78Å; Q311-E315 WeakPolarHBondContact O-CG 3.47Å; Q311-E315 PolarHBondContact O-N 3.26Å; Q311-V493 HydrophobicContact CB-CG1 4.17Å; Q311-V493 HydrophobicContact CG-CG1 4.32Å; Q311-K496 PolarHBondContact NE2-O 2.68Å |
| 312 | L | 80.9 | Confident | 79 | Confident | 14 Ų | 14 | 66.3 Ų | 66.3 | 7% | 0.073 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -36.5 | 178.5 | -168 | 120.5 | 0 | 0 | 0 | 112.3 | E258 D308 E315 R316 | E258-L312 WeakPolarHBondContact OE2-CD2 3.39Å; D308-L312 VanDerWaalsContact O-CB 3.26Å; D308-L312 WeakPolarHBondContact O-CB 3.44Å; D308-L312 PolarHBondContact O-N 2.99Å; L312-E315 PolarHBondContact O-N 3.34Å; L312-R316 VanDerWaalsContact O-CB 3.32Å; L312-R316 WeakPolarHBondContact O-CB 3.32Å; L312-R316 VanDerWaalsContact O-CG 3.27Å; L312-R316 WeakPolarHBondContact O-CG 3.45Å; L312-R316 PolarHBondContact O-N 3.38Å |
| 313 | Q | 83.3 | Confident | 79.5 | Confident | 125 Ų | 125 | 69 Ų | 69 | 58% | 0.584 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.2 | -38.5 | 170.2 | -77 | 176.1 | 12.3 | 0 | 0 | 112.3 | Q309 Q311 A317 | Q309-Q313 VanDerWaalsContact O-CB 3.3Å; Q309-Q313 WeakPolarHBondContact O-CB 3.08Å; Q309-Q313 WeakPolarHBondContact O-CG 3.46Å; Q309-Q313 PolarHBondContact O-N 3.46Å; Q311-Q313 VanDerWaalsContact C-N 3.32Å; Q311-Q313 PolarHBondContact O-N 2.94Å; Q313-A317 VanDerWaalsContact O-CB 3.27Å; Q313-A317 WeakPolarHBondContact O-CB 3.41Å; Q313-A317 PolarHBondContact O-N 3.02Å |
| 314 | Q | 81.7 | Confident | 80.7 | Confident | 89 Ų | 89 | 68.6 Ų | 68.6 | 42% | 0.416 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 174.2 | -74.1 | 174.8 | 1.5 | 0 | 0 | 111.5 | K310 Q311 A317 V318 V493 | K310-Q314 VanDerWaalsContact O-CG 3.27Å; K310-Q314 WeakPolarHBondContact O-CG 3.44Å; K310-Q314 PolarHBondContact O-N 2.87Å; Q311-Q314 CarbonylContact O-C 3.35Å; Q311-Q314 WeakPolarHBondContact O-CA 3.35Å; Q311-Q314 WeakPolarHBondContact O-CB 3.41Å; Q311-Q314 PolarHBondContact O-N 2.78Å; Q314-A317 PolarHBondContact O-N 3.02Å; Q314-V318 VanDerWaalsContact O-CG2 3.28Å; Q314-V318 WeakPolarHBondContact O-CG2 3.21Å; Q314-V318 PolarHBondContact O-N 3.23Å; Q314-V493 HydrophobicContact CB-CG1 4.31Å; Q314-V493 HydrophobicContact CB-CG2 4.48Å |
| 315 | E | 80 | Confident | 81.6 | Confident | 10 Ų | 10 | 70.6 Ų | 70.6 | 5% | 0.047 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.6 | -50.3 | 173.8 | -68.8 | -164.5 | 163.1 | 0 | 0 | 110.9 | S261 Q311 L312 A317 V318 I319 L490 V493 R494 | S261-E315 WeakPolarHBondContact CB-OE2 3.35Å; S261-E315 PolarHBondContact N-OE2 3.02Å; S261-E315 PolarHBondContact OG-OE2 3.46Å; Q311-E315 WeakPolarHBondContact O-CG 3.47Å; Q311-E315 PolarHBondContact O-N 3.26Å; L312-E315 PolarHBondContact O-N 3.34Å; E315-A317 VanDerWaalsContact C-N 3.29Å; E315-A317 PolarHBondContact O-N 3.22Å; E315-V318 PolarHBondContact O-N 3.48Å; E315-V318 VanDerWaalsContact O-N 3.1Å; E315-I319 WeakPolarHBondContact O-CG1 3.28Å; E315-I319 PolarHBondContact O-N 3.31Å; E315-L490 HydrophobicContact CB-CD2 4.06Å; E315-L490 HydrophobicContact CG-CD2 3.96Å; E315-V493 HydrophobicContact CG-CG1 4.13Å; E315-R494 IonicContact OE1-NE 2.82Å |
| 316 | R | 85.8 | Confident | 82.2 | Confident | 121 Ų | 121 | 77.1 Ų | 77.1 | 46% | 0.457 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.1 | -40 | 175.6 | -76.7 | 178 | 175 | 163.6 | 6.5 | 112.1 | E258 L312 K320 | E258-R316 IonicContact OE1-NH2 3.6Å; E258-R316 IonicContact OE2-CZ 3.61Å; E258-R316 IonicContact OE2-NH1 3.88Å; E258-R316 IonicContact OE2-NH2 2.75Å; E258-R316 PolarHBondContact OE2-NH2 3.42Å; L312-R316 VanDerWaalsContact O-CB 3.32Å; L312-R316 WeakPolarHBondContact O-CB 3.32Å; L312-R316 VanDerWaalsContact O-CG 3.27Å; L312-R316 WeakPolarHBondContact O-CG 3.45Å; L312-R316 PolarHBondContact O-N 3.38Å; R316-K320 WeakPolarHBondContact O-CB 3.39Å; R316-K320 VanDerWaalsContact O-CG 3.25Å; R316-K320 WeakPolarHBondContact O-CG 3.32Å; R316-K320 PolarHBondContact O-N 3.17Å |
| 317 | A | 86.6 | Confident | 83 | Confident | 48 Ų | 48 | 76.9 Ų | 76.9 | 40% | 0.397 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.3 | -34.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q313 Q314 E315 K321 | Q313-A317 VanDerWaalsContact O-CB 3.27Å; Q313-A317 WeakPolarHBondContact O-CB 3.41Å; Q313-A317 PolarHBondContact O-N 3.02Å; Q314-A317 PolarHBondContact O-N 3.02Å; E315-A317 VanDerWaalsContact C-N 3.29Å; E315-A317 PolarHBondContact O-N 3.22Å; A317-K321 WeakPolarHBondContact O-CG 3.04Å; A317-K321 PolarHBondContact O-N 3.27Å |
| 318 | V | 84.5 | Confident | 84.1 | Confident | 11 Ų | 11 | 78 Ų | 78 | 7% | 0.067 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.2 | -44.4 | 175.2 | 168.5 | 0 | 0 | 0 | 0 | 110.6 | Q314 E315 K321 L322 T486 E489 L490 | Q314-V318 VanDerWaalsContact O-CG2 3.28Å; Q314-V318 WeakPolarHBondContact O-CG2 3.21Å; Q314-V318 PolarHBondContact O-N 3.23Å; E315-V318 PolarHBondContact O-N 3.48Å; E315-V318 VanDerWaalsContact O-N 3.1Å; V318-K321 WeakPolarHBondContact O-CB 3.31Å; V318-K321 PolarHBondContact O-N 3.44Å; V318-L322 PolarHBondContact O-N 2.99Å; V318-T486 HydrophobicContact CG1-CG2 3.54Å; V318-E489 HydrophobicContact CG1-CB 4.3Å; V318-L490 HydrophobicContact CB-CD2 4.45Å; V318-L490 HydrophobicContact CG1-CD2 4.15Å; V318-L490 HydrophobicContact CG1-CG 4.07Å |
| 319 | I | 85.9 | Confident | 85 | Confident | 61 Ų | 61 | 77 Ų | 77 | 31% | 0.313 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 175.9 | -66.1 | 166.9 | 0 | 0 | 0 | 111.1 | S261 E315 K321 L322 D323 | S261-I319 WeakPolarHBondContact OG-CD1 3.17Å; E315-I319 WeakPolarHBondContact O-CG1 3.28Å; E315-I319 PolarHBondContact O-N 3.31Å; I319-K321 PolarHBondContact O-N 3.1Å; I319-K321 VanDerWaalsContact O-N 3.12Å; I319-L322 WeakPolarHBondContact O-CA 3.44Å; I319-L322 WeakPolarHBondContact O-CB 3.42Å; I319-L322 PolarHBondContact O-N 3.26Å; I319-D323 PolarHBondContact O-N 3.3Å |
| 320 | K | 89.5 | Confident | 85.5 | Confident | 135 Ų | 135 | 78.8 Ų | 78.8 | 59% | 0.587 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -56.5 | -31.5 | 177.3 | -79.4 | -179.6 | 179.4 | -169.7 | 0 | 113.5 | R316 N324 | R316-K320 WeakPolarHBondContact O-CB 3.39Å; R316-K320 VanDerWaalsContact O-CG 3.25Å; R316-K320 WeakPolarHBondContact O-CG 3.32Å; R316-K320 PolarHBondContact O-N 3.17Å; K320-N324 WeakPolarHBondContact O-CB 3.48Å; K320-N324 PolarHBondContact O-N 2.94Å; K320-N324 PolarHBondContact O-ND2 3.07Å; K320-N324 PolarHBondContact O-OD1 3.28Å |
| 321 | K | 88.1 | Confident | 86.1 | Confident | 120 Ų | 120 | 77 Ų | 77 | 52% | 0.522 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 174.5 | -72.3 | 170.7 | -174.6 | 176.1 | 0 | 111.5 | A317 V318 I319 N324 I325 | A317-K321 WeakPolarHBondContact O-CG 3.04Å; A317-K321 PolarHBondContact O-N 3.27Å; V318-K321 WeakPolarHBondContact O-CB 3.31Å; V318-K321 PolarHBondContact O-N 3.44Å; I319-K321 PolarHBondContact O-N 3.1Å; I319-K321 VanDerWaalsContact O-N 3.12Å; K321-N324 PolarHBondContact O-N 3.34Å; K321-I325 WeakPolarHBondContact O-CD1 3.27Å; K321-I325 WeakPolarHBondContact O-CG1 3.36Å; K321-I325 PolarHBondContact O-N 2.99Å |
| 322 | L | 86.8 | Confident | 86.8 | Confident | 39 Ų | 39 | 80.7 Ų | 80.7 | 20% | 0.204 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 177.7 | -175.3 | 146.5 | 0 | 0 | 0 | 111 | V318 I319 N324 I325 R326 Q483 T486 | V318-L322 PolarHBondContact O-N 2.99Å; I319-L322 WeakPolarHBondContact O-CA 3.44Å; I319-L322 WeakPolarHBondContact O-CB 3.42Å; I319-L322 PolarHBondContact O-N 3.26Å; L322-N324 VanDerWaalsContact C-N 3.35Å; L322-N324 PolarHBondContact O-N 3.49Å; L322-I325 PolarHBondContact O-N 3.22Å; L322-R326 PolarHBondContact O-N 3.24Å; L322-Q483 HydrophobicContact CD1-CB 4.47Å; L322-Q483 HydrophobicContact CD1-CG 3.83Å; L322-T486 HydrophobicContact CD1-CG2 4.04Å |
| 323 | D | 89.3 | Confident | 87.1 | Confident | 81 Ų | 81 | 81.6 Ų | 81.6 | 43% | 0.433 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 177 | -63.5 | -25.8 | 0 | 0 | 0 | 111.6 | I319 I325 R326 K327 | I319-D323 PolarHBondContact O-N 3.3Å; D323-I325 PolarHBondContact O-N 2.99Å; D323-R326 PolarHBondContact O-N 2.87Å; D323-K327 WeakPolarHBondContact O-CB 3.49Å; D323-K327 PolarHBondContact O-N 3.24Å |
| 324 | N | 90.9 | Very high | 87.4 | Confident | 109 Ų | 109 | 77.5 Ų | 77.5 | 58% | 0.583 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.3 | -39.5 | 175.8 | -72.4 | -12.5 | 0 | 0 | 0 | 112.5 | K320 K321 L322 R326 K327 D328 | K320-N324 WeakPolarHBondContact O-CB 3.48Å; K320-N324 PolarHBondContact O-N 2.94Å; K320-N324 PolarHBondContact O-ND2 3.07Å; K320-N324 PolarHBondContact O-OD1 3.28Å; K321-N324 PolarHBondContact O-N 3.34Å; L322-N324 VanDerWaalsContact C-N 3.35Å; L322-N324 PolarHBondContact O-N 3.49Å; N324-R326 VanDerWaalsContact C-N 3.34Å; N324-K327 PolarHBondContact O-N 3.14Å; N324-D328 WeakPolarHBondContact O-CB 2.99Å; N324-D328 PolarHBondContact O-N 3.35Å |
| 325 | I | 88.2 | Confident | 87.8 | Confident | 65 Ų | 65 | 81.4 Ų | 81.4 | 33% | 0.333 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 175.5 | -70.1 | 163.7 | 0 | 0 | 0 | 109.8 | K321 L322 D323 D328 H329 L479 A482 | K321-I325 WeakPolarHBondContact O-CD1 3.27Å; K321-I325 WeakPolarHBondContact O-CG1 3.36Å; K321-I325 PolarHBondContact O-N 2.99Å; L322-I325 PolarHBondContact O-N 3.22Å; D323-I325 PolarHBondContact O-N 2.99Å; I325-D328 PolarHBondContact O-N 3.01Å; I325-H329 PolarHBondContact O-CD2 3.44Å; I325-H329 PolarHBondContact O-N 3.01Å; I325-H329 VanDerWaalsContact O-N 3.12Å; I325-L479 HydrophobicContact CG2-CD2 4.02Å; I325-A482 HydrophobicContact CD1-CB 4.2Å |
| 326 | R | 88.2 | Confident | 88.2 | Confident | 142 Ų | 142 | 82.7 Ų | 82.7 | 54% | 0.536 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 177.2 | -177.3 | 179.7 | 173.7 | 168.6 | 2.3 | 111.6 | L322 D323 N324 H329 E330 L479 | L322-R326 PolarHBondContact O-N 3.24Å; D323-R326 PolarHBondContact O-N 2.87Å; N324-R326 VanDerWaalsContact C-N 3.34Å; R326-H329 PolarHBondContact O-N 3.41Å; R326-E330 WeakPolarHBondContact CG-OE1 3.38Å; R326-E330 IonicContact CZ-OE1 2.65Å; R326-E330 IonicContact NE-OE1 3.62Å; R326-E330 PolarHBondContact NE-OE1 2.99Å; R326-E330 IonicContact NH2-OE1 2.71Å; R326-E330 WeakPolarHBondContact O-CG 3.44Å; R326-E330 PolarHBondContact O-N 3.21Å; R326-L479 HydrophobicContact CB-CD2 4.34Å |
| 327 | K | 91 | Very high | 88.3 | Confident | 121 Ų | 121 | 81.1 Ų | 81.1 | 53% | 0.526 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 178.2 | -175.3 | 174 | 172 | 173.4 | 0 | 112.6 | D323 N324 H329 E330 E331 | D323-K327 WeakPolarHBondContact O-CB 3.49Å; D323-K327 PolarHBondContact O-N 3.24Å; N324-K327 PolarHBondContact O-N 3.14Å; K327-H329 VanDerWaalsContact C-N 3.3Å; K327-H329 PolarHBondContact O-N 3Å; K327-E330 PolarHBondContact O-N 3.1Å; K327-E331 WeakPolarHBondContact CE-OE1 3.37Å; K327-E331 HydrophobicContact CG-CG 4.42Å; K327-E331 IonicContact NZ-OE1 3.53Å; K327-E331 WeakPolarHBondContact O-CB 3.47Å; K327-E331 WeakPolarHBondContact O-CG 3.49Å; K327-E331 PolarHBondContact O-N 3.38Å |
| 328 | D | 89.6 | Confident | 88.4 | Confident | 79 Ų | 79 | 84.8 Ų | 84.8 | 42% | 0.422 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | 175.7 | -179.5 | 71.4 | 0 | 0 | 0 | 112.1 | N324 I325 R332 | N324-D328 WeakPolarHBondContact O-CB 2.99Å; N324-D328 PolarHBondContact O-N 3.35Å; I325-D328 PolarHBondContact O-N 3.01Å; D328-R332 WeakPolarHBondContact O-CB 3.3Å; D328-R332 PolarHBondContact O-N 3.17Å; D328-R332 VanDerWaalsContact O-N 3.08Å; D328-R332 IonicContact OD1-NH2 3.75Å; D328-R332 IonicContact OD2-CZ 2.59Å; D328-R332 IonicContact OD2-NH2 3.39Å; D328-R332 PolarHBondContact OD2-NH2 3.37Å |
| 329 | H | 87.4 | Confident | 88.5 | Confident | 26 Ų | 26 | 86.2 Ų | 86.2 | 12% | 0.12 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.4 | -44 | 175.5 | -76.3 | -59.2 | 0 | 0 | 0 | 112.6 | I325 R326 K327 R332 L333 | I325-H329 PolarHBondContact O-CD2 3.44Å; I325-H329 PolarHBondContact O-N 3.01Å; I325-H329 VanDerWaalsContact O-N 3.12Å; R326-H329 PolarHBondContact O-N 3.41Å; K327-H329 VanDerWaalsContact C-N 3.3Å; K327-H329 PolarHBondContact O-N 3Å; H329-R332 PolarHBondContact O-N 2.98Å; H329-L333 WeakPolarHBondContact O-CG 3.47Å; H329-L333 PolarHBondContact O-N 3.44Å |
| 330 | E | 89 | Confident | 88.6 | Confident | 101 Ų | 101 | 85.1 Ų | 85.1 | 47% | 0.472 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 176.7 | -73.5 | 170.3 | -178.1 | 0 | 0 | 111.2 | R326 K327 R332 L333 A334 | R326-E330 WeakPolarHBondContact CG-OE1 3.38Å; R326-E330 IonicContact CZ-OE1 2.65Å; R326-E330 IonicContact NE-OE1 3.62Å; R326-E330 PolarHBondContact NE-OE1 2.99Å; R326-E330 IonicContact NH2-OE1 2.71Å; R326-E330 WeakPolarHBondContact O-CG 3.44Å; R326-E330 PolarHBondContact O-N 3.21Å; K327-E330 PolarHBondContact O-N 3.1Å; E330-R332 VanDerWaalsContact C-N 3.33Å; E330-R332 PolarHBondContact O-N 3.3Å; E330-L333 PolarHBondContact O-N 3.32Å; E330-A334 WeakPolarHBondContact O-CB 3.48Å; E330-A334 PolarHBondContact O-N 3.44Å |
| 331 | E | 90.2 | Very high | 88.5 | Confident | 85 Ų | 85 | 84.4 Ų | 84.4 | 40% | 0.397 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 176.1 | -74.4 | -179.7 | -171.4 | 0 | 0 | 112.4 | K327 R335 | K327-E331 WeakPolarHBondContact CE-OE1 3.37Å; K327-E331 HydrophobicContact CG-CG 4.42Å; K327-E331 IonicContact NZ-OE1 3.53Å; K327-E331 WeakPolarHBondContact O-CB 3.47Å; K327-E331 WeakPolarHBondContact O-CG 3.49Å; K327-E331 PolarHBondContact O-N 3.38Å; E331-R335 WeakPolarHBondContact O-CG 3.46Å; E331-R335 PolarHBondContact O-N 2.93Å; E331-R335 VanDerWaalsContact O-N 3.12Å |
| 332 | R | 86.1 | Confident | 88.5 | Confident | 112 Ų | 112 | 82.7 Ų | 82.7 | 42% | 0.423 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 177.3 | -174 | 175.7 | -62.1 | 142.9 | 16.9 | 112.1 | D328 H329 E330 L336 T471 | D328-R332 WeakPolarHBondContact O-CB 3.3Å; D328-R332 PolarHBondContact O-N 3.17Å; D328-R332 VanDerWaalsContact O-N 3.08Å; D328-R332 IonicContact OD1-NH2 3.75Å; D328-R332 IonicContact OD2-CZ 2.59Å; D328-R332 IonicContact OD2-NH2 3.39Å; D328-R332 PolarHBondContact OD2-NH2 3.37Å; H329-R332 PolarHBondContact O-N 2.98Å; E330-R332 VanDerWaalsContact C-N 3.33Å; E330-R332 PolarHBondContact O-N 3.3Å; R332-L336 WeakPolarHBondContact O-CG 3.38Å; R332-L336 PolarHBondContact O-N 3.01Å; R332-T471 HydrophobicContact CG-CG2 4.38Å |
| 333 | L | 87.5 | Confident | 88.6 | Confident | 34 Ų | 34 | 81.6 Ų | 81.6 | 18% | 0.178 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.3 | -44.4 | 176.5 | -72.9 | 171.3 | 0 | 0 | 0 | 111 | H329 E330 R335 L336 Q337 E468 T471 L472 | H329-L333 WeakPolarHBondContact O-CG 3.47Å; H329-L333 PolarHBondContact O-N 3.44Å; E330-L333 PolarHBondContact O-N 3.32Å; L333-R335 VanDerWaalsContact C-N 3.35Å; L333-R335 PolarHBondContact O-N 2.64Å; L333-L336 PolarHBondContact O-N 3.09Å; L333-L336 VanDerWaalsContact O-N 3.1Å; L333-Q337 WeakPolarHBondContact O-CG 3.28Å; L333-Q337 PolarHBondContact O-N 2.93Å; L333-E468 HydrophobicContact CD2-CG 4.34Å; L333-T471 HydrophobicContact CD2-CG2 4.1Å; L333-L472 HydrophobicContact CD2-CB 4.42Å |
| 334 | A | 89.9 | Confident | 88.5 | Confident | 38 Ų | 38 | 80.7 Ų | 80.7 | 31% | 0.314 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.2 | -46.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | E330 L336 Q337 E338 | E330-A334 WeakPolarHBondContact O-CB 3.48Å; E330-A334 PolarHBondContact O-N 3.44Å; A334-L336 VanDerWaalsContact C-N 3.31Å; A334-L336 PolarHBondContact O-N 2.59Å; A334-Q337 PolarHBondContact O-N 2.62Å; A334-E338 WeakPolarHBondContact O-CG 3.29Å; A334-E338 PolarHBondContact O-N 2.76Å |
| 335 | R | 89.5 | Confident | 88.4 | Confident | 171 Ų | 171 | 79.3 Ų | 79.3 | 65% | 0.645 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.7 | -35.1 | 176.7 | -71.7 | -179.8 | -167.4 | -173.7 | 6.2 | 113.7 | E331 L333 A339 | E331-R335 WeakPolarHBondContact O-CG 3.46Å; E331-R335 PolarHBondContact O-N 2.93Å; E331-R335 VanDerWaalsContact O-N 3.12Å; L333-R335 VanDerWaalsContact C-N 3.35Å; L333-R335 PolarHBondContact O-N 2.64Å; R335-A339 WeakPolarHBondContact O-CB 3.35Å; R335-A339 PolarHBondContact O-N 3.49Å; R335-A339 VanDerWaalsContact O-N 3.08Å |
| 336 | L | 88.4 | Confident | 88.5 | Confident | 37 Ų | 37 | 78 Ų | 78 | 19% | 0.194 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.6 | -39.8 | 177.1 | -72.9 | 172.5 | 0 | 0 | 0 | 111.3 | R332 L333 A334 A339 Q340 T471 | R332-L336 WeakPolarHBondContact O-CG 3.38Å; R332-L336 PolarHBondContact O-N 3.01Å; L333-L336 PolarHBondContact O-N 3.09Å; L333-L336 VanDerWaalsContact O-N 3.1Å; A334-L336 VanDerWaalsContact C-N 3.31Å; A334-L336 PolarHBondContact O-N 2.59Å; L336-A339 PolarHBondContact O-N 3.5Å; L336-Q340 WeakPolarHBondContact O-CB 3.32Å; L336-Q340 PolarHBondContact O-N 3.26Å; L336-T471 HydrophobicContact CD1-CG2 4.13Å |
| 337 | Q | 89 | Confident | 88.6 | Confident | 89 Ų | 89 | 71.3 Ų | 71.3 | 42% | 0.416 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 176 | -71.3 | 176.8 | -16 | 0 | 0 | 111.7 | L333 A334 A339 Q340 Q341 E468 | L333-Q337 WeakPolarHBondContact O-CG 3.28Å; L333-Q337 PolarHBondContact O-N 2.93Å; A334-Q337 PolarHBondContact O-N 2.62Å; Q337-A339 VanDerWaalsContact C-N 3.35Å; Q337-A339 PolarHBondContact O-N 2.9Å; Q337-Q340 WeakPolarHBondContact O-CB 3.39Å; Q337-Q340 PolarHBondContact O-N 2.8Å; Q337-Q341 WeakPolarHBondContact O-CG 3.44Å; Q337-Q341 PolarHBondContact O-N 2.78Å; Q337-E468 VanDerWaalsContact CG-OE1 3.31Å; Q337-E468 WeakPolarHBondContact CG-OE1 3.27Å; Q337-E468 PolarHBondContact NE2-OE1 2.78Å |
| 338 | E | 88.1 | Confident | 88.6 | Confident | 125 Ų | 125 | 68.1 Ų | 68.1 | 58% | 0.584 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.1 | -45.7 | 174.1 | -75.2 | 173.4 | -177.7 | 0 | 0 | 111.5 | A334 Q340 Q341 L342 | A334-E338 WeakPolarHBondContact O-CG 3.29Å; A334-E338 PolarHBondContact O-N 2.76Å; E338-Q340 VanDerWaalsContact C-N 3.33Å; E338-Q340 PolarHBondContact O-N 3.18Å; E338-Q341 PolarHBondContact O-N 2.83Å; E338-L342 WeakPolarHBondContact O-CB 3.49Å; E338-L342 PolarHBondContact O-N 2.77Å |
| 339 | A | 86 | Confident | 88.7 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 33% | 0.331 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | R335 L336 Q337 S343 | R335-A339 WeakPolarHBondContact O-CB 3.35Å; R335-A339 PolarHBondContact O-N 3.49Å; R335-A339 VanDerWaalsContact O-N 3.08Å; L336-A339 PolarHBondContact O-N 3.5Å; Q337-A339 VanDerWaalsContact C-N 3.35Å; Q337-A339 PolarHBondContact O-N 2.9Å; A339-S343 PolarHBondContact O-N 2.77Å; A339-S343 PolarHBondContact O-OG 3.38Å |
| 340 | Q | 87.5 | Confident | 88.8 | Confident | 39 Ų | 39 | 63.1 Ų | 63.1 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65 | -47.6 | 176 | 179.1 | -178.4 | -29.1 | 0 | 0 | 111.9 | L336 Q337 E338 L342 S343 E344 K461 E468 | L336-Q340 WeakPolarHBondContact O-CB 3.32Å; L336-Q340 PolarHBondContact O-N 3.26Å; Q337-Q340 WeakPolarHBondContact O-CB 3.39Å; Q337-Q340 PolarHBondContact O-N 2.8Å; E338-Q340 VanDerWaalsContact C-N 3.33Å; E338-Q340 PolarHBondContact O-N 3.18Å; Q340-L342 VanDerWaalsContact C-N 3.32Å; Q340-L342 PolarHBondContact O-N 2.99Å; Q340-S343 PolarHBondContact O-N 2.94Å; Q340-E344 WeakPolarHBondContact O-CB 3.44Å; Q340-E344 PolarHBondContact O-N 3.46Å; Q340-K461 HydrophobicContact CG-CG 3.79Å; Q340-E468 PolarHBondContact OE1-OE2 2.94Å |
| 341 | Q | 87.7 | Confident | 88.9 | Confident | 120 Ų | 120 | 62.8 Ų | 62.8 | 56% | 0.561 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.4 | -42.2 | 177.8 | -71.6 | 175.4 | 2.1 | 0 | 0 | 111 | Q337 E338 E344 L345 | Q337-Q341 WeakPolarHBondContact O-CG 3.44Å; Q337-Q341 PolarHBondContact O-N 2.78Å; E338-Q341 PolarHBondContact O-N 2.83Å; Q341-E344 PolarHBondContact O-N 3.42Å; Q341-L345 WeakPolarHBondContact O-CB 3.45Å; Q341-L345 WeakPolarHBondContact O-CG 3.48Å; Q341-L345 PolarHBondContact O-N 2.99Å |
| 342 | L | 88.8 | Confident | 88.9 | Confident | 84 Ų | 84 | 62.2 Ų | 62.2 | 44% | 0.44 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 176.9 | -174.6 | 66.2 | 0 | 0 | 0 | 111.9 | E338 Q340 E344 L345 K346 V440 | E338-L342 WeakPolarHBondContact O-CB 3.49Å; E338-L342 PolarHBondContact O-N 2.77Å; Q340-L342 VanDerWaalsContact C-N 3.32Å; Q340-L342 PolarHBondContact O-N 2.99Å; L342-E344 VanDerWaalsContact C-N 3.3Å; L342-E344 PolarHBondContact O-N 3.34Å; L342-L345 PolarHBondContact O-N 3.49Å; L342-K346 HydrophobicContact CG-CD 4.47Å; L342-K346 WeakPolarHBondContact O-CB 3.43Å; L342-K346 VanDerWaalsContact O-CG 3.26Å; L342-K346 WeakPolarHBondContact O-CG 3.47Å; L342-K346 PolarHBondContact O-N 3.4Å; L342-V440 HydrophobicContact CD1-CG1 4.42Å |
| 343 | S | 87.6 | Confident | 89.1 | Confident | 16 Ų | 16 | 57.8 Ų | 57.8 | 11% | 0.112 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.2 | -38.7 | 175.7 | -70.3 | 0 | 0 | 0 | 0 | 112.4 | A339 Q340 A347 | A339-S343 PolarHBondContact O-N 2.77Å; A339-S343 PolarHBondContact O-OG 3.38Å; Q340-S343 PolarHBondContact O-N 2.94Å; S343-A347 WeakPolarHBondContact O-CB 3.38Å; S343-A347 PolarHBondContact O-N 3.34Å |
| 344 | E | 88.1 | Confident | 89.2 | Confident | 62 Ų | 62 | 58.9 Ų | 58.9 | 29% | 0.29 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 175.9 | 175.4 | 159.6 | -145.3 | 0 | 0 | 112.3 | Q340 Q341 L342 K346 A347 I348 K461 | Q340-E344 WeakPolarHBondContact O-CB 3.44Å; Q340-E344 PolarHBondContact O-N 3.46Å; Q341-E344 PolarHBondContact O-N 3.42Å; L342-E344 VanDerWaalsContact C-N 3.3Å; L342-E344 PolarHBondContact O-N 3.34Å; E344-K346 VanDerWaalsContact C-N 3.32Å; E344-K346 PolarHBondContact O-N 3.43Å; E344-A347 PolarHBondContact O-N 3.36Å; E344-A347 VanDerWaalsContact O-N 3.17Å; E344-I348 HydrophobicContact CG-CD1 3.83Å; E344-I348 WeakPolarHBondContact O-CG1 3.42Å; E344-I348 PolarHBondContact O-N 3.23Å; E344-K461 HydrophobicContact CB-CD 4.01Å; E344-K461 HydrophobicContact CB-CG 4.47Å; E344-K461 HydrophobicContact CG-CD 4.39Å; E344-K461 IonicContact OE1-NZ 2.66Å; E344-K461 PolarHBondContact OE1-NZ 3.11Å; E344-K461 WeakPolarHBondContact OE2-CE 3.36Å; E344-K461 IonicContact OE2-NZ 3.06Å; E344-K461 PolarHBondContact OE2-NZ 3.31Å |
| 345 | L | 89.2 | Confident | 89.3 | Confident | 80 Ų | 80 | 64.3 Ų | 64.3 | 42% | 0.419 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 175.9 | -73 | 172.7 | 0 | 0 | 0 | 111.7 | Q341 L342 A347 I348 A349 V440 | Q341-L345 WeakPolarHBondContact O-CB 3.45Å; Q341-L345 WeakPolarHBondContact O-CG 3.48Å; Q341-L345 PolarHBondContact O-N 2.99Å; L342-L345 PolarHBondContact O-N 3.49Å; L345-A347 VanDerWaalsContact C-N 3.35Å; L345-A347 PolarHBondContact O-N 3.33Å; L345-I348 PolarHBondContact O-N 3.19Å; L345-A349 VanDerWaalsContact O-CB 3.32Å; L345-A349 WeakPolarHBondContact O-CB 3.19Å; L345-A349 PolarHBondContact O-N 2.95Å; L345-V440 HydrophobicContact CB-CG2 4.45Å |
| 346 | K | 90.7 | Very high | 89.4 | Confident | 38 Ų | 38 | 57.7 Ų | 57.7 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 174.5 | -72.7 | -176.4 | 174.6 | -167.4 | 0 | 111.6 | L342 E344 A349 V350 V440 D441 V442 L457 | L342-K346 HydrophobicContact CG-CD 4.47Å; L342-K346 WeakPolarHBondContact O-CB 3.43Å; L342-K346 VanDerWaalsContact O-CG 3.26Å; L342-K346 WeakPolarHBondContact O-CG 3.47Å; L342-K346 PolarHBondContact O-N 3.4Å; E344-K346 VanDerWaalsContact C-N 3.32Å; E344-K346 PolarHBondContact O-N 3.43Å; K346-A349 PolarHBondContact O-N 3.47Å; K346-V350 WeakPolarHBondContact O-CG2 3.47Å; K346-V350 PolarHBondContact O-N 3.46Å; K346-V350 VanDerWaalsContact O-N 3.13Å; K346-V440 HydrophobicContact CG-CG1 3.62Å; K346-D441 VanDerWaalsContact CE-O 3.32Å; K346-D441 WeakPolarHBondContact CE-O 3.42Å; K346-V442 HydrophobicContact CB-CG1 4.04Å; K346-V442 HydrophobicContact CB-CG2 4.09Å; K346-V442 HydrophobicContact CD-CG1 4.49Å; K346-V442 HydrophobicContact CG-CG1 4.36Å; K346-V442 HydrophobicContact CG-CG2 4.06Å; K346-L457 HydrophobicContact CB-CD1 3.97Å; K346-L457 HydrophobicContact CB-CD2 4.24Å; K346-L457 HydrophobicContact CD-CD2 4.48Å |
| 347 | A | 90.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.7 | -47.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S343 E344 L345 A349 V350 E351 L457 F458 | S343-A347 WeakPolarHBondContact O-CB 3.38Å; S343-A347 PolarHBondContact O-N 3.34Å; E344-A347 PolarHBondContact O-N 3.36Å; E344-A347 VanDerWaalsContact O-N 3.17Å; L345-A347 VanDerWaalsContact C-N 3.35Å; L345-A347 PolarHBondContact O-N 3.33Å; A347-A349 VanDerWaalsContact C-N 3.35Å; A347-A349 PolarHBondContact O-N 2.76Å; A347-V350 PolarHBondContact O-N 3.23Å; A347-E351 PolarHBondContact O-N 2.88Å; A347-L457 HydrophobicContact CB-CB 3.71Å; A347-F458 HydrophobicContact CB-CD1 3.99Å; A347-F458 HydrophobicContact CB-CD2 3.8Å; A347-F458 HydrophobicContact CB-CE1 3.81Å; A347-F458 HydrophobicContact CB-CE2 3.58Å; A347-F458 HydrophobicContact CB-CG 3.99Å; A347-F458 HydrophobicContact CB-CZ 3.6Å |
| 348 | I | 90.5 | Very high | 89.9 | Confident | 55 Ų | 55 | 54 Ų | 54 | 28% | 0.282 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 176.9 | -66.4 | 166.1 | 0 | 0 | 0 | 110.6 | E344 L345 V350 E351 L352 P411 | E344-I348 HydrophobicContact CG-CD1 3.83Å; E344-I348 WeakPolarHBondContact O-CG1 3.42Å; E344-I348 PolarHBondContact O-N 3.23Å; L345-I348 PolarHBondContact O-N 3.19Å; I348-V350 VanDerWaalsContact C-N 3.28Å; I348-V350 PolarHBondContact O-N 3.46Å; I348-E351 PolarHBondContact O-N 3.36Å; I348-L352 HydrophobicContact CG2-CD1 3.83Å; I348-L352 HydrophobicContact CG2-CG 4.18Å; I348-L352 WeakPolarHBondContact O-CB 3.19Å; I348-L352 WeakPolarHBondContact O-CG 3.24Å; I348-L352 PolarHBondContact O-N 2.81Å; I348-P411 HydrophobicContact CG2-CB 4.45Å |
| 349 | A | 90.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -36.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L345 K346 A347 N353 L409 P411 V442 | L345-A349 VanDerWaalsContact O-CB 3.32Å; L345-A349 WeakPolarHBondContact O-CB 3.19Å; L345-A349 PolarHBondContact O-N 2.95Å; K346-A349 PolarHBondContact O-N 3.47Å; A347-A349 VanDerWaalsContact C-N 3.35Å; A347-A349 PolarHBondContact O-N 2.76Å; A349-N353 WeakPolarHBondContact O-CB 3.12Å; A349-N353 PolarHBondContact O-N 3.34Å; A349-N353 PolarHBondContact O-ND2 3.03Å; A349-L409 HydrophobicContact CB-CB 3.77Å; A349-P411 HydrophobicContact CB-CB 4.2Å; A349-V442 HydrophobicContact CB-CG2 4.35Å |
| 350 | V | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.3 | -42 | 174.7 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | K346 A347 I348 N353 N354 V357 L409 V442 I444 A450 N453 A454 L457 | K346-V350 WeakPolarHBondContact O-CG2 3.47Å; K346-V350 PolarHBondContact O-N 3.46Å; K346-V350 VanDerWaalsContact O-N 3.13Å; A347-V350 PolarHBondContact O-N 3.23Å; I348-V350 VanDerWaalsContact C-N 3.28Å; I348-V350 PolarHBondContact O-N 3.46Å; V350-N353 CarbonylContact O-C 3.42Å; V350-N353 PolarHBondContact O-N 3.09Å; V350-N354 WeakPolarHBondContact O-CA 3.43Å; V350-N354 PolarHBondContact O-N 3Å; V350-V357 HydrophobicContact CG1-CG1 4.47Å; V350-L409 HydrophobicContact CB-CD1 4.46Å; V350-L409 HydrophobicContact CG2-CD1 3.78Å; V350-V442 HydrophobicContact CG2-CB 4.25Å; V350-V442 HydrophobicContact CG2-CG1 3.63Å; V350-V442 HydrophobicContact CG2-CG2 4.38Å; V350-I444 HydrophobicContact CG2-CD1 3.67Å; V350-A450 HydrophobicContact CG1-CB 4.42Å; V350-A450 WeakPolarHBondContact CG1-O 3.48Å; V350-N453 HydrophobicContact CG1-CB 4.41Å; V350-A454 HydrophobicContact CB-CB 4.14Å; V350-A454 HydrophobicContact CG1-CB 3.88Å; V350-L457 HydrophobicContact CG2-CD1 4.12Å |
| 351 | E | 89.9 | Confident | 90.7 | Very high | 93 Ų | 93 | 50 Ų | 50 | 44% | 0.435 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 177.8 | -73.7 | -167.9 | 150.4 | 0 | 0 | 112.4 | A347 I348 N354 A454 F458 | A347-E351 PolarHBondContact O-N 2.88Å; I348-E351 PolarHBondContact O-N 3.36Å; E351-N354 WeakPolarHBondContact O-CB 3.24Å; E351-A454 HydrophobicContact CG-CB 3.71Å; E351-F458 VanDerWaalsContact CD-CE2 3.43Å; E351-F458 HydrophobicContact CG-CE2 4.1Å; E351-F458 VanDerWaalsContact OE1-CE2 3.26Å; E351-F458 WeakPolarHBondContact OE1-CE2 3.34Å |
| 352 | L | 89.9 | Confident | 90.9 | Very high | 73 Ų | 73 | 49.4 Ų | 49.4 | 38% | 0.382 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.6 | -30.7 | 179.8 | -68.5 | -179.5 | 0 | 0 | 0 | 113.1 | I348 P411 I413 | I348-L352 HydrophobicContact CG2-CD1 3.83Å; I348-L352 HydrophobicContact CG2-CG 4.18Å; I348-L352 WeakPolarHBondContact O-CB 3.19Å; I348-L352 WeakPolarHBondContact O-CG 3.24Å; I348-L352 PolarHBondContact O-N 2.81Å; L352-P411 VanDerWaalsContact CD1-C 3.46Å; L352-P411 WeakPolarHBondContact CD1-O 3.39Å; L352-I413 HydrophobicContact CD1-CG1 3.93Å; L352-I413 HydrophobicContact CD2-CD1 3.94Å; L352-I413 HydrophobicContact CD2-CG1 3.57Å; L352-I413 HydrophobicContact CG-CG1 4.36Å |
| 353 | N | 89.9 | Confident | 91 | Very high | 19 Ų | 19 | 49.7 Ų | 49.7 | 10% | 0.102 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 23.4 | 179.9 | -63.6 | -92.7 | 0 | 0 | 0 | 112.6 | A349 V350 E355 I356 V357 K394 L409 S410 | A349-N353 WeakPolarHBondContact O-CB 3.12Å; A349-N353 PolarHBondContact O-N 3.34Å; A349-N353 PolarHBondContact O-ND2 3.03Å; V350-N353 CarbonylContact O-C 3.42Å; V350-N353 PolarHBondContact O-N 3.09Å; N353-E355 VanDerWaalsContact C-N 3.33Å; N353-E355 PolarHBondContact O-N 3.03Å; N353-I356 PolarHBondContact O-N 3.03Å; N353-V357 HydrophobicContact CB-CG2 4.35Å; N353-V357 WeakPolarHBondContact O-CG2 3.26Å; N353-V357 PolarHBondContact O-N 3.35Å; N353-K394 PolarHBondContact OD1-NZ 2.81Å; N353-L409 HydrophobicContact CB-CD2 3.84Å; N353-S410 PolarHBondContact ND2-O 3.14Å |
| 354 | N | 91.4 | Very high | 91.2 | Very high | 57 Ų | 57 | 49 Ų | 49 | 31% | 0.305 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -48.4 | -50.2 | -172.5 | -178.9 | 1.5 | 0 | 0 | 0 | 113 | V350 E351 I356 V357 D358 A450 | V350-N354 WeakPolarHBondContact O-CA 3.43Å; V350-N354 PolarHBondContact O-N 3Å; E351-N354 WeakPolarHBondContact O-CB 3.24Å; N354-I356 VanDerWaalsContact C-N 3.26Å; N354-I356 PolarHBondContact O-N 3.25Å; N354-V357 PolarHBondContact O-N 3.38Å; N354-D358 PolarHBondContact O-N 3.24Å; N354-D358 PolarHBondContact OD1-OD2 3.48Å; N354-A450 WeakPolarHBondContact OD1-CB 3.29Å |
| 355 | E | 90.7 | Very high | 91.4 | Very high | 152 Ų | 152 | 50.4 Ų | 50.4 | 71% | 0.71 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62.2 | -30.3 | -179.8 | -61.4 | -177.2 | 174.7 | 0 | 0 | 114 | N353 R359 | N353-E355 VanDerWaalsContact C-N 3.33Å; N353-E355 PolarHBondContact O-N 3.03Å; E355-R359 WeakPolarHBondContact O-CB 3.35Å; E355-R359 VanDerWaalsContact O-CG 3.27Å; E355-R359 WeakPolarHBondContact O-CG 3.43Å; E355-R359 PolarHBondContact O-N 2.77Å; E355-R359 PolarHBondContact O-NE 2.67Å; E355-R359 VanDerWaalsContact O-NE 3.09Å |
| 356 | I | 91.9 | Very high | 91.5 | Very high | 32 Ų | 32 | 51.1 Ų | 51.1 | 16% | 0.164 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -81.7 | -40 | -179.6 | -61.4 | 169.9 | 0 | 0 | 0 | 109.7 | N353 N354 R359 A360 V391 K394 M407 | N353-I356 PolarHBondContact O-N 3.03Å; N354-I356 VanDerWaalsContact C-N 3.26Å; N354-I356 PolarHBondContact O-N 3.25Å; I356-R359 PolarHBondContact O-N 3.16Å; I356-A360 PolarHBondContact O-N 2.84Å; I356-V391 HydrophobicContact CG2-CG1 4.36Å; I356-V391 HydrophobicContact CG2-CG2 4.32Å; I356-K394 HydrophobicContact CG2-CD 4.02Å; I356-M407 HydrophobicContact CG2-CE 4.07Å |
| 357 | V | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.8 | -46.4 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | V350 N353 N354 R359 A360 I361 M407 L409 I444 A450 | V350-V357 HydrophobicContact CG1-CG1 4.47Å; N353-V357 HydrophobicContact CB-CG2 4.35Å; N353-V357 WeakPolarHBondContact O-CG2 3.26Å; N353-V357 PolarHBondContact O-N 3.35Å; N354-V357 PolarHBondContact O-N 3.38Å; V357-R359 VanDerWaalsContact C-N 3.33Å; V357-R359 PolarHBondContact O-N 3.2Å; V357-A360 PolarHBondContact O-N 3.4Å; V357-I361 HydrophobicContact CG1-CD1 3.82Å; V357-I361 HydrophobicContact CG1-CG1 4.47Å; V357-I361 WeakPolarHBondContact O-CD1 3.24Å; V357-I361 VanDerWaalsContact O-CG1 3.25Å; V357-I361 WeakPolarHBondContact O-CG1 3.23Å; V357-I361 PolarHBondContact O-N 3.25Å; V357-M407 HydrophobicContact CB-SD 4.24Å; V357-M407 HydrophobicContact CG1-SD 4.28Å; V357-M407 HydrophobicContact CG2-SD 3.89Å; V357-L409 HydrophobicContact CG2-CD1 3.7Å; V357-L409 HydrophobicContact CG2-CD2 4.05Å; V357-I444 HydrophobicContact CG1-CD1 4.02Å; V357-I444 HydrophobicContact CG1-CG1 4.22Å; V357-I444 HydrophobicContact CG1-CG2 3.81Å; V357-A450 HydrophobicContact CB-CB 3.82Å; V357-A450 HydrophobicContact CG1-CB 3.68Å |
| 358 | D | 93.9 | Very high | 91.5 | Very high | 50 Ų | 50 | 53.4 Ų | 53.4 | 27% | 0.267 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 177.2 | -90.4 | -16.8 | 0 | 0 | 0 | 112.1 | N354 I361 L362 A450 | N354-D358 PolarHBondContact O-N 3.24Å; N354-D358 PolarHBondContact OD1-OD2 3.48Å; D358-I361 PolarHBondContact O-N 2.81Å; D358-L362 VanDerWaalsContact O-CG 3.31Å; D358-L362 WeakPolarHBondContact O-CG 2.94Å; D358-L362 PolarHBondContact O-N 3.23Å; D358-A450 HydrophobicContact CB-CB 4.45Å; D358-A450 VanDerWaalsContact OD1-CB 3.29Å; D358-A450 WeakPolarHBondContact OD1-CB 3.43Å; D358-A450 PolarHBondContact OD1-N 2.98Å |
| 359 | R | 92.6 | Very high | 91.5 | Very high | 116 Ų | 116 | 54.3 Ų | 54.3 | 44% | 0.438 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 172.6 | -81.2 | -174.7 | -73.9 | 174.5 | -7.7 | 112.3 | E355 I356 V357 I361 L362 I363 V391 | E355-R359 WeakPolarHBondContact O-CB 3.35Å; E355-R359 VanDerWaalsContact O-CG 3.27Å; E355-R359 WeakPolarHBondContact O-CG 3.43Å; E355-R359 PolarHBondContact O-N 2.77Å; E355-R359 PolarHBondContact O-NE 2.67Å; E355-R359 VanDerWaalsContact O-NE 3.09Å; I356-R359 PolarHBondContact O-N 3.16Å; V357-R359 VanDerWaalsContact C-N 3.33Å; V357-R359 PolarHBondContact O-N 3.2Å; R359-I361 VanDerWaalsContact C-N 3.34Å; R359-I361 PolarHBondContact O-N 3.42Å; R359-L362 PolarHBondContact O-N 3.03Å; R359-I363 WeakPolarHBondContact O-CG1 3.23Å; R359-I363 PolarHBondContact O-N 3.5Å; R359-V391 HydrophobicContact CB-CG1 4.5Å; R359-V391 HydrophobicContact CB-CG2 4.25Å |
| 360 | A | 92.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I356 V357 L362 I363 I364 V391 I395 F405 M407 | I356-A360 PolarHBondContact O-N 2.84Å; V357-A360 PolarHBondContact O-N 3.4Å; A360-L362 VanDerWaalsContact C-N 3.33Å; A360-L362 PolarHBondContact O-N 3.27Å; A360-I363 PolarHBondContact O-N 3.03Å; A360-I364 WeakPolarHBondContact O-CG1 3.31Å; A360-I364 PolarHBondContact O-N 3.01Å; A360-V391 HydrophobicContact CB-CG1 3.64Å; A360-I395 HydrophobicContact CB-CD1 4.23Å; A360-F405 HydrophobicContact CB-CE2 3.72Å; A360-F405 HydrophobicContact CB-CZ 3.84Å; A360-M407 HydrophobicContact CB-CE 3.79Å; A360-M407 HydrophobicContact CB-SD 3.84Å |
| 361 | I | 93.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 175.4 | -69 | 161.8 | 0 | 0 | 0 | 110.7 | V357 D358 R359 R365 F405 I444 L448 | V357-I361 HydrophobicContact CG1-CD1 3.82Å; V357-I361 HydrophobicContact CG1-CG1 4.47Å; V357-I361 WeakPolarHBondContact O-CD1 3.24Å; V357-I361 VanDerWaalsContact O-CG1 3.25Å; V357-I361 WeakPolarHBondContact O-CG1 3.23Å; V357-I361 PolarHBondContact O-N 3.25Å; D358-I361 PolarHBondContact O-N 2.81Å; R359-I361 VanDerWaalsContact C-N 3.34Å; R359-I361 PolarHBondContact O-N 3.42Å; I361-R365 HydrophobicContact CG2-CG 4.29Å; I361-R365 VanDerWaalsContact O-CB 3.27Å; I361-R365 WeakPolarHBondContact O-CB 3.13Å; I361-R365 WeakPolarHBondContact O-CG 3.26Å; I361-R365 PolarHBondContact O-N 3.1Å; I361-F405 HydrophobicContact CG1-CE1 3.9Å; I361-F405 HydrophobicContact CG1-CZ 3.86Å; I361-I444 HydrophobicContact CD1-CG2 3.84Å; I361-I444 HydrophobicContact CG1-CG2 3.93Å; I361-L448 WeakPolarHBondContact CD1-O 2.83Å |
| 362 | L | 92.9 | Very high | 91.3 | Very high | 109 Ų | 109 | 68.5 Ų | 68.5 | 57% | 0.571 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.7 | -46 | 179.1 | -74.7 | 170.6 | 0 | 0 | 0 | 112.2 | D358 R359 A360 R365 D366 | D358-L362 VanDerWaalsContact O-CG 3.31Å; D358-L362 WeakPolarHBondContact O-CG 2.94Å; D358-L362 PolarHBondContact O-N 3.23Å; R359-L362 PolarHBondContact O-N 3.03Å; A360-L362 VanDerWaalsContact C-N 3.33Å; A360-L362 PolarHBondContact O-N 3.27Å; L362-R365 PolarHBondContact O-N 3.06Å; L362-D366 WeakPolarHBondContact O-CB 3.43Å; L362-D366 PolarHBondContact O-N 3.22Å |
| 363 | I | 91 | Very high | 91.3 | Very high | 89 Ų | 89 | 71.1 Ų | 71.1 | 46% | 0.456 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 179 | -66.8 | 164 | 0 | 0 | 0 | 110.6 | R359 A360 D366 A367 V391 | R359-I363 WeakPolarHBondContact O-CG1 3.23Å; R359-I363 PolarHBondContact O-N 3.5Å; A360-I363 PolarHBondContact O-N 3.03Å; I363-D366 PolarHBondContact O-N 3.38Å; I363-A367 PolarHBondContact O-N 2.92Å; I363-V391 HydrophobicContact CD1-CG1 4.32Å |
| 364 | I | 90.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 76.8 Ų | 76.8 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.2 | -41.4 | -180 | -65.7 | 169.3 | 0 | 0 | 0 | 110.9 | A360 D366 A367 I368 I395 L398 L400 F405 I446 | A360-I364 WeakPolarHBondContact O-CG1 3.31Å; A360-I364 PolarHBondContact O-N 3.01Å; I364-D366 VanDerWaalsContact C-N 3.33Å; I364-D366 PolarHBondContact O-N 2.81Å; I364-A367 PolarHBondContact O-N 3.21Å; I364-I368 HydrophobicContact CG2-CD1 3.76Å; I364-I368 HydrophobicContact CG2-CG1 4.43Å; I364-I368 VanDerWaalsContact O-CG1 3.23Å; I364-I368 WeakPolarHBondContact O-CG1 3.11Å; I364-I368 PolarHBondContact O-N 3.14Å; I364-I395 HydrophobicContact CD1-CD1 4.31Å; I364-L398 HydrophobicContact CD1-CD2 4Å; I364-L400 HydrophobicContact CG2-CD2 4.24Å; I364-F405 HydrophobicContact CD1-CB 4.22Å; I364-F405 HydrophobicContact CD1-CD1 3.69Å; I364-F405 HydrophobicContact CD1-CD2 3.65Å; I364-F405 HydrophobicContact CD1-CE1 3.86Å; I364-F405 HydrophobicContact CD1-CE2 3.77Å; I364-F405 HydrophobicContact CD1-CG 3.59Å; I364-F405 HydrophobicContact CD1-CZ 3.9Å; I364-I446 HydrophobicContact CG2-CD1 3.89Å; I364-I446 HydrophobicContact CG2-CG1 4.34Å; I364-I446 HydrophobicContact CG2-CG2 4.26Å |
| 365 | R | 92.4 | Very high | 91.1 | Very high | 93 Ų | 93 | 76.8 Ų | 76.8 | 35% | 0.351 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 175.5 | -79.6 | 178.8 | -178.5 | 159.6 | 7.5 | 112.3 | I361 L362 I368 A369 I446 S447 L448 | I361-R365 HydrophobicContact CG2-CG 4.29Å; I361-R365 VanDerWaalsContact O-CB 3.27Å; I361-R365 WeakPolarHBondContact O-CB 3.13Å; I361-R365 WeakPolarHBondContact O-CG 3.26Å; I361-R365 PolarHBondContact O-N 3.1Å; L362-R365 PolarHBondContact O-N 3.06Å; R365-I368 PolarHBondContact O-N 3.17Å; R365-A369 VanDerWaalsContact O-CB 3.3Å; R365-A369 WeakPolarHBondContact O-CB 3.06Å; R365-A369 PolarHBondContact O-N 2.99Å; R365-I446 HydrophobicContact CG-CG2 3.75Å; R365-I446 PolarHBondContact NE-O 3.49Å; R365-I446 PolarHBondContact NH2-O 2.99Å; R365-S447 PolarHBondContact NH2-O 3.31Å; R365-L448 VanDerWaalsContact NH2-C 3.33Å; R365-L448 PolarHBondContact NH2-O 3.24Å |
| 366 | D | 91.7 | Very high | 91 | Very high | 95 Ų | 95 | 73.3 Ų | 73.3 | 51% | 0.508 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 178.3 | -167 | 59.7 | 0 | 0 | 0 | 110.9 | L362 I363 I364 I368 A369 H370 | L362-D366 WeakPolarHBondContact O-CB 3.43Å; L362-D366 PolarHBondContact O-N 3.22Å; I363-D366 PolarHBondContact O-N 3.38Å; I364-D366 VanDerWaalsContact C-N 3.33Å; I364-D366 PolarHBondContact O-N 2.81Å; D366-I368 PolarHBondContact O-N 2.93Å; D366-A369 PolarHBondContact O-N 2.82Å; D366-H370 PolarHBondContact O-N 3.17Å; D366-H370 PolarHBondContact O-ND1 3.36Å; D366-H370 IonicContact OD1-CE1 3.21Å; D366-H370 PolarHBondContact OD1-CE1 2.8Å; D366-H370 IonicContact OD1-ND1 3.5Å; D366-H370 PolarHBondContact OD1-ND1 3.5Å; D366-H370 IonicContact OD2-CE1 3.38Å; D366-H370 PolarHBondContact OD2-CE1 2.71Å; D366-H370 IonicContact OD2-ND1 3.49Å; D366-H370 PolarHBondContact OD2-ND1 3.19Å |
| 367 | A | 90.6 | Very high | 90.9 | Very high | 14 Ų | 14 | 71.9 Ų | 71.9 | 12% | 0.116 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I363 I364 A369 H370 Q371 F372 I377 | I363-A367 PolarHBondContact O-N 2.92Å; I364-A367 PolarHBondContact O-N 3.21Å; A367-A369 VanDerWaalsContact C-N 3.32Å; A367-A369 PolarHBondContact O-N 3.1Å; A367-H370 PolarHBondContact O-N 2.89Å; A367-Q371 PolarHBondContact O-N 2.8Å; A367-F372 HydrophobicContact CB-CD2 4.15Å; A367-F372 WeakPolarHBondContact O-CD2 3.13Å; A367-F372 PolarHBondContact O-N 3.06Å; A367-I377 HydrophobicContact CB-CD1 4.05Å; A367-I377 HydrophobicContact CB-CG1 3.99Å; A367-I377 HydrophobicContact CB-CG2 4.5Å |
| 368 | I | 89.9 | Confident | 90.7 | Very high | 72 Ų | 72 | 76.3 Ų | 76.3 | 37% | 0.369 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 174.5 | -66.4 | 166.3 | 0 | 0 | 0 | 111 | I364 R365 D366 H370 Q371 I377 L400 I446 | I364-I368 HydrophobicContact CG2-CD1 3.76Å; I364-I368 HydrophobicContact CG2-CG1 4.43Å; I364-I368 VanDerWaalsContact O-CG1 3.23Å; I364-I368 WeakPolarHBondContact O-CG1 3.11Å; I364-I368 PolarHBondContact O-N 3.14Å; R365-I368 PolarHBondContact O-N 3.17Å; D366-I368 PolarHBondContact O-N 2.93Å; I368-H370 VanDerWaalsContact C-N 3.34Å; I368-H370 PolarHBondContact O-N 3.35Å; I368-Q371 PolarHBondContact O-N 3.25Å; I368-I377 HydrophobicContact CG1-CD1 4.05Å; I368-L400 HydrophobicContact CD1-CD2 4.49Å; I368-I446 HydrophobicContact CD1-CD1 4.39Å; I368-I446 HydrophobicContact CD1-CG2 4.34Å |
| 369 | A | 90.2 | Very high | 90.4 | Very high | 74 Ų | 74 | 79.6 Ų | 79.6 | 61% | 0.612 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67.1 | -33.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R365 D366 A367 Q371 | R365-A369 VanDerWaalsContact O-CB 3.3Å; R365-A369 WeakPolarHBondContact O-CB 3.06Å; R365-A369 PolarHBondContact O-N 2.99Å; D366-A369 PolarHBondContact O-N 2.82Å; A367-A369 VanDerWaalsContact C-N 3.32Å; A367-A369 PolarHBondContact O-N 3.1Å; A369-Q371 PolarHBondContact O-N 2.99Å |
| 370 | H | 91.7 | Very high | 90.2 | Very high | 120 Ų | 120 | 77 Ų | 77 | 56% | 0.556 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | 3.9 | 174.6 | -71.7 | 93.8 | 0 | 0 | 0 | 114 | D366 A367 I368 F372 | D366-H370 PolarHBondContact O-N 3.17Å; D366-H370 PolarHBondContact O-ND1 3.36Å; D366-H370 IonicContact OD1-CE1 3.21Å; D366-H370 PolarHBondContact OD1-CE1 2.8Å; D366-H370 IonicContact OD1-ND1 3.5Å; D366-H370 PolarHBondContact OD1-ND1 3.5Å; D366-H370 IonicContact OD2-CE1 3.38Å; D366-H370 PolarHBondContact OD2-CE1 2.71Å; D366-H370 IonicContact OD2-ND1 3.49Å; D366-H370 PolarHBondContact OD2-ND1 3.19Å; A367-H370 PolarHBondContact O-N 2.89Å; I368-H370 VanDerWaalsContact C-N 3.34Å; I368-H370 PolarHBondContact O-N 3.35Å; H370-F372 VanDerWaalsContact C-N 3.3Å; H370-F372 HydrophobicContact CB-CD2 3.72Å; H370-F372 HydrophobicContact CB-CE2 3.63Å; H370-F372 PolarHBondContact O-N 3.13Å |
| 371 | Q | 87.3 | Confident | 90.1 | Very high | 175 Ų | 175 | 78 Ų | 78 | 82% | 0.818 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 28.5 | 177.9 | -52.1 | 177.9 | 4.4 | 0 | 0 | 114.4 | A367 I368 A369 | A367-Q371 PolarHBondContact O-N 2.8Å; I368-Q371 PolarHBondContact O-N 3.25Å; A369-Q371 PolarHBondContact O-N 2.99Å |
| 372 | F | 89 | Confident | 89.8 | Confident | 96 Ų | 96 | 84.5 Ų | 84.5 | 42% | 0.421 | 42% | 0.419 | S | S | . | . | trans | -60.9 | 139.2 | 169.3 | -74.2 | -78 | 0 | 0 | 0 | 110.6 | A367 H370 E376 I377 | A367-F372 HydrophobicContact CB-CD2 4.15Å; A367-F372 WeakPolarHBondContact O-CD2 3.13Å; A367-F372 PolarHBondContact O-N 3.06Å; H370-F372 VanDerWaalsContact C-N 3.3Å; H370-F372 HydrophobicContact CB-CD2 3.72Å; H370-F372 HydrophobicContact CB-CE2 3.63Å; H370-F372 PolarHBondContact O-N 3.13Å; F372-E376 WeakPolarHBondContact CA-OE2 3.18Å; F372-E376 HydrophobicContact CB-CB 4.4Å; F372-E376 HydrophobicContact CD1-CB 4.23Å; F372-E376 WeakPolarHBondContact CD1-OE2 3.43Å; F372-I377 HydrophobicContact CB-CD1 4.38Å; F372-I377 HydrophobicContact CB-CG1 3.83Å | ||
| 373 | E | 89.5 | Confident | 89.7 | Confident | 128 Ų | 128 | 85.4 Ų | 85.4 | 60% | 0.598 | 42% | 0.421 | S | S | * | . | trans | -67.2 | 151.2 | 173 | -67.1 | -166.3 | 165.2 | 0 | 0 | 110.3 | S375 E376 I377 | E373-S375 PolarHBondContact O-N 2.7Å; E373-S375 VanDerWaalsContact O-N 3.16Å; E373-E376 HydrophobicContact CB-CG 4.08Å; E373-E376 PolarHBondContact N-OE2 2.72Å; E373-E376 WeakPolarHBondContact O-CA 3.4Å; E373-E376 WeakPolarHBondContact O-CB 3.29Å; E373-E376 PolarHBondContact O-N 2.61Å; E373-I377 WeakPolarHBondContact O-CG1 3.44Å; E373-I377 PolarHBondContact O-N 3.43Å | ||
| 374 | W | 88.5 | Confident | 89.6 | Confident | 138 Ų | 138 | 82.4 Ų | 82.4 | 52% | 0.523 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.8 | -34.6 | -176.7 | -65.4 | -10.3 | 0 | 0 | 0 | 113.3 | I377 E378 L400 Q401 | W374-I377 PolarHBondContact O-N 3.36Å; W374-E378 PolarHBondContact O-N 2.97Å; W374-E378 VanDerWaalsContact O-N 3.11Å; W374-L400 HydrophobicContact CB-CD1 3.96Å; W374-L400 VanDerWaalsContact CD1-CD1 3.46Å; W374-L400 HydrophobicContact CD2-CB 4.09Å; W374-L400 HydrophobicContact CD2-CD1 4.34Å; W374-L400 HydrophobicContact CG-CB 4.29Å; W374-L400 HydrophobicContact CG-CD1 3.66Å; W374-L400 HydrophobicContact CZ2-CB 4.36Å; W374-Q401 HydrophobicContact CH2-CG 3.73Å; W374-Q401 HydrophobicContact CZ3-CG 3.52Å |
| 375 | S | 88.8 | Confident | 89.5 | Confident | 57 Ų | 57 | 85.5 Ų | 85.5 | 40% | 0.399 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 173.2 | 41.9 | 0 | 0 | 0 | 0 | 112.4 | E373 I377 E378 E379 | E373-S375 PolarHBondContact O-N 2.7Å; E373-S375 VanDerWaalsContact O-N 3.16Å; S375-I377 VanDerWaalsContact C-N 3.32Å; S375-I377 PolarHBondContact O-N 2.93Å; S375-E378 PolarHBondContact O-N 3.18Å; S375-E379 WeakPolarHBondContact O-CG 3.27Å; S375-E379 PolarHBondContact O-N 3.14Å |
| 376 | E | 89.1 | Confident | 89.3 | Confident | 79 Ų | 79 | 85.3 Ų | 85.3 | 37% | 0.369 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 177 | -62.1 | 175 | 156.7 | 0 | 0 | 110.8 | F372 E373 E379 T380 | F372-E376 WeakPolarHBondContact CA-OE2 3.18Å; F372-E376 HydrophobicContact CB-CB 4.4Å; F372-E376 HydrophobicContact CD1-CB 4.23Å; F372-E376 WeakPolarHBondContact CD1-OE2 3.43Å; E373-E376 HydrophobicContact CB-CG 4.08Å; E373-E376 PolarHBondContact N-OE2 2.72Å; E373-E376 WeakPolarHBondContact O-CA 3.4Å; E373-E376 WeakPolarHBondContact O-CB 3.29Å; E373-E376 PolarHBondContact O-N 2.61Å; E376-E379 PolarHBondContact O-N 3.3Å; E376-T380 WeakPolarHBondContact O-CG2 3.25Å; E376-T380 PolarHBondContact O-N 3.42Å; E376-T380 PolarHBondContact O-OG1 3.21Å |
| 377 | I | 88.7 | Confident | 89.2 | Confident | 2 Ų | 2 | 88 Ų | 88 | 1% | 0.01 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 175.1 | -57 | 176.5 | 0 | 0 | 0 | 110.5 | A367 I368 F372 E373 W374 S375 T380 I381 L398 L400 | A367-I377 HydrophobicContact CB-CD1 4.05Å; A367-I377 HydrophobicContact CB-CG1 3.99Å; A367-I377 HydrophobicContact CB-CG2 4.5Å; I368-I377 HydrophobicContact CG1-CD1 4.05Å; F372-I377 HydrophobicContact CB-CD1 4.38Å; F372-I377 HydrophobicContact CB-CG1 3.83Å; E373-I377 WeakPolarHBondContact O-CG1 3.44Å; E373-I377 PolarHBondContact O-N 3.43Å; W374-I377 PolarHBondContact O-N 3.36Å; S375-I377 VanDerWaalsContact C-N 3.32Å; S375-I377 PolarHBondContact O-N 2.93Å; I377-T380 WeakPolarHBondContact CA-OG1 3.16Å; I377-T380 PolarHBondContact O-N 3.49Å; I377-T380 PolarHBondContact O-OG1 3.22Å; I377-I381 HydrophobicContact CG2-CD1 4.14Å; I377-I381 WeakPolarHBondContact O-CG1 3.21Å; I377-I381 PolarHBondContact O-N 3.1Å; I377-I381 VanDerWaalsContact O-N 3.09Å; I377-L398 HydrophobicContact CB-CD1 4.34Å; I377-L398 HydrophobicContact CG2-CD1 3.73Å; I377-L400 HydrophobicContact CD1-CD1 4.12Å |
| 378 | E | 89.6 | Confident | 89 | Confident | 92 Ų | 92 | 90 Ų | 90 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 175 | -72.9 | -178.5 | 174.9 | 0 | 0 | 111.5 | W374 S375 T380 I381 E382 L398 | W374-E378 PolarHBondContact O-N 2.97Å; W374-E378 VanDerWaalsContact O-N 3.11Å; S375-E378 PolarHBondContact O-N 3.18Å; E378-T380 PolarHBondContact O-N 3.25Å; E378-I381 PolarHBondContact O-N 3.49Å; E378-E382 WeakPolarHBondContact O-CG 3.42Å; E378-E382 PolarHBondContact O-N 2.75Å; E378-L398 HydrophobicContact CG-CB 4.46Å; E378-L398 HydrophobicContact CG-CD1 3.59Å; E378-L398 HydrophobicContact CG-CG 4.28Å |
| 379 | E | 88.8 | Confident | 88.9 | Confident | 119 Ų | 119 | 89.1 Ų | 89.1 | 56% | 0.556 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.3 | -44.8 | 175.9 | -73.7 | 177.1 | -174.1 | 0 | 0 | 111.8 | S375 E376 I381 E382 E383 | S375-E379 WeakPolarHBondContact O-CG 3.27Å; S375-E379 PolarHBondContact O-N 3.14Å; E376-E379 PolarHBondContact O-N 3.3Å; E379-I381 VanDerWaalsContact C-N 3.29Å; E379-I381 PolarHBondContact O-N 2.88Å; E379-E382 PolarHBondContact O-N 3.21Å; E379-E383 WeakPolarHBondContact O-CG 3.4Å; E379-E383 PolarHBondContact O-N 3.27Å |
| 380 | T | 88.4 | Confident | 88.6 | Confident | 63 Ų | 63 | 89.5 Ų | 89.5 | 39% | 0.387 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.5 | -34.2 | 178.3 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | E376 I377 E378 A384 | E376-T380 WeakPolarHBondContact O-CG2 3.25Å; E376-T380 PolarHBondContact O-N 3.42Å; E376-T380 PolarHBondContact O-OG1 3.21Å; I377-T380 WeakPolarHBondContact CA-OG1 3.16Å; I377-T380 PolarHBondContact O-N 3.49Å; I377-T380 PolarHBondContact O-OG1 3.22Å; E378-T380 PolarHBondContact O-N 3.25Å; T380-A384 VanDerWaalsContact O-CB 3.31Å; T380-A384 WeakPolarHBondContact O-CB 3.45Å; T380-A384 PolarHBondContact O-N 3.44Å |
| 381 | I | 89.2 | Confident | 88.5 | Confident | 20 Ų | 20 | 84 Ų | 84 | 10% | 0.103 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -72.4 | -41.9 | 175.8 | -69.3 | 172.7 | 0 | 0 | 0 | 109.9 | I377 E378 E379 E383 A384 V385 A392 I395 L398 | I377-I381 HydrophobicContact CG2-CD1 4.14Å; I377-I381 WeakPolarHBondContact O-CG1 3.21Å; I377-I381 PolarHBondContact O-N 3.1Å; I377-I381 VanDerWaalsContact O-N 3.09Å; E378-I381 PolarHBondContact O-N 3.49Å; E379-I381 VanDerWaalsContact C-N 3.29Å; E379-I381 PolarHBondContact O-N 2.88Å; I381-E383 VanDerWaalsContact C-N 3.35Å; I381-E383 PolarHBondContact O-N 3.17Å; I381-A384 PolarHBondContact O-N 2.71Å; I381-V385 HydrophobicContact CG2-CG2 4.34Å; I381-V385 WeakPolarHBondContact O-CB 3.4Å; I381-V385 WeakPolarHBondContact O-CG2 3.26Å; I381-V385 PolarHBondContact O-N 2.89Å; I381-A392 HydrophobicContact CG2-CB 4.36Å; I381-I395 HydrophobicContact CD1-CD1 4.15Å; I381-I395 HydrophobicContact CD1-CG2 4.4Å; I381-I395 HydrophobicContact CG2-CB 4.36Å; I381-I395 HydrophobicContact CG2-CG2 4.47Å; I381-L398 HydrophobicContact CD1-CD1 3.76Å; I381-L398 HydrophobicContact CD1-CD2 3.84Å; I381-L398 HydrophobicContact CD1-CG 4.13Å |
| 382 | E | 88.6 | Confident | 88.6 | Confident | 138 Ų | 138 | 75.9 Ų | 75.9 | 65% | 0.645 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.4 | -42.1 | 175.4 | -72.9 | -174.7 | 178.2 | 0 | 0 | 112 | E378 E379 V385 A386 | E378-E382 WeakPolarHBondContact O-CG 3.42Å; E378-E382 PolarHBondContact O-N 2.75Å; E379-E382 PolarHBondContact O-N 3.21Å; E382-V385 PolarHBondContact O-N 3.15Å; E382-A386 PolarHBondContact O-N 2.89Å |
| 383 | E | 89.5 | Confident | 88.5 | Confident | 129 Ų | 129 | 74.8 Ų | 74.8 | 60% | 0.603 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.7 | -47.7 | 172.2 | -72.3 | -174.8 | 171.6 | 0 | 0 | 111.3 | E379 I381 V385 A386 L387 | E379-E383 WeakPolarHBondContact O-CG 3.4Å; E379-E383 PolarHBondContact O-N 3.27Å; I381-E383 VanDerWaalsContact C-N 3.35Å; I381-E383 PolarHBondContact O-N 3.17Å; E383-V385 VanDerWaalsContact C-N 3.29Å; E383-V385 PolarHBondContact O-N 3.44Å; E383-A386 WeakPolarHBondContact O-CA 3.34Å; E383-A386 WeakPolarHBondContact O-CB 3.06Å; E383-A386 PolarHBondContact O-N 3.39Å; E383-L387 WeakPolarHBondContact O-CD1 3.42Å; E383-L387 PolarHBondContact O-N 2.82Å |
| 384 | A | 88.9 | Confident | 88.5 | Confident | 25 Ų | 25 | 71 Ų | 71 | 21% | 0.207 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.1 | -35.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T380 I381 L387 G388 D389 A392 | T380-A384 VanDerWaalsContact O-CB 3.31Å; T380-A384 WeakPolarHBondContact O-CB 3.45Å; T380-A384 PolarHBondContact O-N 3.44Å; I381-A384 PolarHBondContact O-N 2.71Å; A384-L387 PolarHBondContact O-N 3.14Å; A384-G388 PolarHBondContact O-N 3.43Å; A384-D389 HydrophobicContact CB-CB 4.18Å; A384-D389 WeakPolarHBondContact O-CB 3.49Å; A384-D389 PolarHBondContact O-N 3.48Å; A384-A392 HydrophobicContact CB-CB 3.61Å |
| 385 | V | 88.4 | Confident | 88.6 | Confident | 67 Ų | 67 | 65.6 Ų | 65.6 | 41% | 0.406 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 171.8 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | I381 E382 E383 L387 G388 A392 | I381-V385 HydrophobicContact CG2-CG2 4.34Å; I381-V385 WeakPolarHBondContact O-CB 3.4Å; I381-V385 WeakPolarHBondContact O-CG2 3.26Å; I381-V385 PolarHBondContact O-N 2.89Å; E382-V385 PolarHBondContact O-N 3.15Å; E383-V385 VanDerWaalsContact C-N 3.29Å; E383-V385 PolarHBondContact O-N 3.44Å; V385-L387 VanDerWaalsContact C-N 3.31Å; V385-L387 PolarHBondContact O-N 3.44Å; V385-G388 PolarHBondContact O-N 3.01Å; V385-A392 HydrophobicContact CG2-CB 3.84Å; V385-A392 WeakPolarHBondContact CG2-O 2.97Å |
| 386 | A | 88.4 | Confident | 88.6 | Confident | 88 Ų | 88 | 66.1 Ų | 66.1 | 73% | 0.727 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.7 | -31.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | E382 E383 G388 | E382-A386 PolarHBondContact O-N 2.89Å; E383-A386 WeakPolarHBondContact O-CA 3.34Å; E383-A386 WeakPolarHBondContact O-CB 3.06Å; E383-A386 PolarHBondContact O-N 3.39Å; A386-G388 VanDerWaalsContact C-N 3.27Å |
| 387 | L | 89.6 | Confident | 88.7 | Confident | 153 Ų | 153 | 68.3 Ų | 68.3 | 80% | 0.801 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -7.9 | 172 | -83.5 | 94.4 | 0 | 0 | 0 | 113.9 | E383 A384 V385 | E383-L387 WeakPolarHBondContact O-CD1 3.42Å; E383-L387 PolarHBondContact O-N 2.82Å; A384-L387 PolarHBondContact O-N 3.14Å; V385-L387 VanDerWaalsContact C-N 3.31Å; V385-L387 PolarHBondContact O-N 3.44Å |
| 388 | G | 86.3 | Confident | 88.8 | Confident | 56 Ų | 56 | 68.8 Ų | 68.8 | 58% | 0.577 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 29.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A384 V385 A386 | A384-G388 PolarHBondContact O-N 3.43Å; V385-G388 PolarHBondContact O-N 3.01Å; A386-G388 VanDerWaalsContact C-N 3.27Å |
| 389 | D | 87.3 | Confident | 88.8 | Confident | 52 Ų | 52 | 65.9 Ų | 65.9 | 28% | 0.278 | 38% | 0.377 | S | S | . | . | trans | -64.5 | 123.9 | 175.5 | -176.3 | -12.3 | 0 | 0 | 0 | 111.2 | A384 V391 A392 S393 | A384-D389 HydrophobicContact CB-CB 4.18Å; A384-D389 WeakPolarHBondContact O-CB 3.49Å; A384-D389 PolarHBondContact O-N 3.48Å; D389-V391 PolarHBondContact O-N 3.17Å; D389-V391 PolarHBondContact OD1-N 3.2Å; D389-A392 HydrophobicContact CB-CB 3.92Å; D389-A392 PolarHBondContact O-N 3.48Å; D389-S393 VanDerWaalsContact O-CB 3.32Å; D389-S393 WeakPolarHBondContact O-CB 3.4Å; D389-S393 PolarHBondContact O-N 2.89Å; D389-S393 PolarHBondContact O-OG 3.39Å | ||
| 390 | P | 85.3 | Confident | 88.7 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 53% | 0.532 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -19.9 | 178.6 | 26.9 | -37.3 | 0 | 0 | 0 | 114.7 | S393 | P390-S393 WeakPolarHBondContact CA-OG 3.47Å; P390-S393 PolarHBondContact O-OG 2.76Å |
| 391 | V | 89 | Confident | 88.6 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 3% | 0.03 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -51.8 | 176.5 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | I356 R359 A360 I363 D389 S393 K394 | I356-V391 HydrophobicContact CG2-CG1 4.36Å; I356-V391 HydrophobicContact CG2-CG2 4.32Å; R359-V391 HydrophobicContact CB-CG1 4.5Å; R359-V391 HydrophobicContact CB-CG2 4.25Å; A360-V391 HydrophobicContact CB-CG1 3.64Å; I363-V391 HydrophobicContact CD1-CG1 4.32Å; D389-V391 PolarHBondContact O-N 3.17Å; D389-V391 PolarHBondContact OD1-N 3.2Å; V391-S393 VanDerWaalsContact C-N 3.29Å; V391-S393 PolarHBondContact O-N 3.11Å; V391-K394 PolarHBondContact O-N 3.29Å; V391-K394 VanDerWaalsContact O-N 3.08Å |
| 392 | A | 88.7 | Confident | 88.5 | Confident | 5 Ų | 5 | 71.3 Ų | 71.3 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -60.6 | -38.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I381 A384 V385 D389 K394 I395 | I381-A392 HydrophobicContact CG2-CB 4.36Å; A384-A392 HydrophobicContact CB-CB 3.61Å; V385-A392 HydrophobicContact CG2-CB 3.84Å; V385-A392 WeakPolarHBondContact CG2-O 2.97Å; D389-A392 HydrophobicContact CB-CB 3.92Å; D389-A392 PolarHBondContact O-N 3.48Å; A392-K394 PolarHBondContact O-N 3.39Å; A392-K394 VanDerWaalsContact O-N 3.08Å; A392-I395 PolarHBondContact O-N 3.46Å |
| 393 | S | 88.1 | Confident | 88.6 | Confident | 73 Ų | 73 | 67.8 Ų | 67.8 | 51% | 0.51 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -60.3 | -18.3 | 176.3 | 55.2 | 0 | 0 | 0 | 0 | 115 | D389 P390 V391 | D389-S393 VanDerWaalsContact O-CB 3.32Å; D389-S393 WeakPolarHBondContact O-CB 3.4Å; D389-S393 PolarHBondContact O-N 2.89Å; D389-S393 PolarHBondContact O-OG 3.39Å; P390-S393 WeakPolarHBondContact CA-OG 3.47Å; P390-S393 PolarHBondContact O-OG 2.76Å; V391-S393 VanDerWaalsContact C-N 3.29Å; V391-S393 PolarHBondContact O-N 3.11Å |
| 394 | K | 89.6 | Confident | 88.8 | Confident | 49 Ų | 49 | 64 Ų | 64 | 21% | 0.213 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -91.8 | -13.2 | 174.5 | -63.8 | -165.5 | -172.7 | -175.2 | 0 | 113.2 | N353 I356 V391 A392 V396 M407 R408 L409 | N353-K394 PolarHBondContact OD1-NZ 2.81Å; I356-K394 HydrophobicContact CG2-CD 4.02Å; V391-K394 PolarHBondContact O-N 3.29Å; V391-K394 VanDerWaalsContact O-N 3.08Å; A392-K394 PolarHBondContact O-N 3.39Å; A392-K394 VanDerWaalsContact O-N 3.08Å; K394-V396 PolarHBondContact O-N 3.01Å; K394-M407 HydrophobicContact CB-CE 3.92Å; K394-M407 CarbonylContact O-C 3.46Å; K394-M407 VanDerWaalsContact O-CA 3.25Å; K394-M407 WeakPolarHBondContact O-CA 3.27Å; K394-R408 PolarHBondContact O-N 3.47Å; K394-L409 HydrophobicContact CD-CD2 4.15Å |
| 395 | I | 91.1 | Very high | 89 | Confident | 23 Ų | 23 | 62.8 Ų | 62.8 | 12% | 0.118 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 117.4 | 178.7 | -58.7 | 172.1 | 0 | 0 | 0 | 108.1 | A360 I364 I381 A392 L398 F405 M407 | A360-I395 HydrophobicContact CB-CD1 4.23Å; I364-I395 HydrophobicContact CD1-CD1 4.31Å; I381-I395 HydrophobicContact CD1-CD1 4.15Å; I381-I395 HydrophobicContact CD1-CG2 4.4Å; I381-I395 HydrophobicContact CG2-CB 4.36Å; I381-I395 HydrophobicContact CG2-CG2 4.47Å; A392-I395 PolarHBondContact O-N 3.46Å; I395-L398 HydrophobicContact CG2-CD2 3.95Å; I395-F405 HydrophobicContact CG1-CD2 4.28Å; I395-F405 HydrophobicContact CG1-CE2 4.33Å; I395-F405 HydrophobicContact CG2-CD2 4.25Å; I395-M407 HydrophobicContact CG1-CE 4.41Å; I395-M407 HydrophobicContact CG1-CG 4.45Å |
| 396 | V | 88.9 | Confident | 89.3 | Confident | 69 Ų | 69 | 61.5 Ų | 61.5 | 42% | 0.418 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -42 | -176.8 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | K394 I406 R408 | K394-V396 PolarHBondContact O-N 3.01Å; V396-I406 HydrophobicContact CB-CG2 4.28Å; V396-I406 PolarHBondContact N-O 3.2Å; V396-R408 HydrophobicContact CG2-CB 3.63Å |
| 397 | K | 90.2 | Very high | 89.5 | Confident | 124 Ų | 124 | 57.3 Ų | 57.3 | 54% | 0.539 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 139.7 | -173.7 | -178.4 | 176.7 | 179.1 | -175.2 | 0 | 110.6 | F405 I406 | K397-F405 WeakPolarHBondContact O-CA 3.45Å; K397-I406 HydrophobicContact CB-CB 4.38Å; K397-I406 HydrophobicContact CB-CD1 4.31Å; K397-I406 PolarHBondContact O-N 2.84Å |
| 398 | L | 90.6 | Very high | 89.6 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 136.2 | 167.3 | -58.3 | -177.9 | 0 | 0 | 0 | 110.2 | I364 I377 E378 I381 I395 L400 F405 | I364-L398 HydrophobicContact CD1-CD2 4Å; I377-L398 HydrophobicContact CB-CD1 4.34Å; I377-L398 HydrophobicContact CG2-CD1 3.73Å; E378-L398 HydrophobicContact CG-CB 4.46Å; E378-L398 HydrophobicContact CG-CD1 3.59Å; E378-L398 HydrophobicContact CG-CG 4.28Å; I381-L398 HydrophobicContact CD1-CD1 3.76Å; I381-L398 HydrophobicContact CD1-CD2 3.84Å; I381-L398 HydrophobicContact CD1-CG 4.13Å; I395-L398 HydrophobicContact CG2-CD2 3.95Å; L398-L400 HydrophobicContact CB-CD2 4.4Å; L398-L400 HydrophobicContact CB-CG 4.11Å; L398-L400 HydrophobicContact CD1-CD1 4.29Å; L398-F405 HydrophobicContact CD2-CB 3.68Å; L398-F405 HydrophobicContact CD2-CG 4.49Å |
| 399 | D | 88.8 | Confident | 89.7 | Confident | 31 Ų | 31 | 52.7 Ų | 52.7 | 17% | 0.166 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 61.8 | 169.9 | -167.8 | -3.6 | 0 | 0 | 0 | 108.2 | Q401 K402 N403 Q404 | D399-Q401 PolarHBondContact O-N 3.49Å; D399-K402 PolarHBondContact O-N 3.25Å; D399-K402 IonicContact OD2-NZ 3.52Å; D399-K402 PolarHBondContact OD2-NZ 3.17Å; D399-N403 PolarHBondContact O-N 3.49Å; D399-Q404 CarbonylContact C-O 3.47Å; D399-Q404 WeakPolarHBondContact CA-O 3.26Å; D399-Q404 PolarHBondContact N-O 3.45Å; D399-Q404 PolarHBondContact O-N 3.34Å; D399-Q404 VanDerWaalsContact O-N 3.09Å |
| 400 | L | 86.8 | Confident | 89.6 | Confident | 21 Ų | 21 | 51.4 Ų | 51.4 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -63.3 | -23.1 | -174.5 | -58.4 | -179.8 | 0 | 0 | 0 | 112.1 | I364 I368 W374 I377 L398 K402 N403 I446 | I364-L400 HydrophobicContact CG2-CD2 4.24Å; I368-L400 HydrophobicContact CD1-CD2 4.49Å; W374-L400 HydrophobicContact CB-CD1 3.96Å; W374-L400 VanDerWaalsContact CD1-CD1 3.46Å; W374-L400 HydrophobicContact CD2-CB 4.09Å; W374-L400 HydrophobicContact CD2-CD1 4.34Å; W374-L400 HydrophobicContact CG-CB 4.29Å; W374-L400 HydrophobicContact CG-CD1 3.66Å; W374-L400 HydrophobicContact CZ2-CB 4.36Å; I377-L400 HydrophobicContact CD1-CD1 4.12Å; L398-L400 HydrophobicContact CB-CD2 4.4Å; L398-L400 HydrophobicContact CB-CG 4.11Å; L398-L400 HydrophobicContact CD1-CD1 4.29Å; L400-K402 PolarHBondContact O-N 3.27Å; L400-N403 PolarHBondContact O-N 3.31Å; L400-I446 HydrophobicContact CD2-CD1 3.52Å |
| 401 | Q | 87.1 | Confident | 89 | Confident | 160 Ų | 160 | 48.3 Ų | 48.3 | 75% | 0.748 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -58.2 | -35.2 | 171.1 | -66.8 | -177 | -8.4 | 0 | 0 | 112.5 | W374 D399 | W374-Q401 HydrophobicContact CH2-CG 3.73Å; W374-Q401 HydrophobicContact CZ3-CG 3.52Å; D399-Q401 PolarHBondContact O-N 3.49Å |
| 402 | K | 88 | Confident | 88.1 | Confident | 135 Ų | 135 | 52.1 Ų | 52.1 | 59% | 0.587 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -96.5 | 7.7 | 174.9 | -60.2 | -161.2 | -164.7 | 101 | 0 | 113.4 | D399 L400 Q404 | D399-K402 PolarHBondContact O-N 3.25Å; D399-K402 IonicContact OD2-NZ 3.52Å; D399-K402 PolarHBondContact OD2-NZ 3.17Å; L400-K402 PolarHBondContact O-N 3.27Å; K402-Q404 HydrophobicContact CB-CB 4.4Å; K402-Q404 HydrophobicContact CB-CG 4.44Å; K402-Q404 PolarHBondContact O-N 3.1Å |
| 403 | N | 90.9 | Very high | 86.7 | Confident | 63 Ų | 63 | 57.7 Ų | 57.7 | 34% | 0.337 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 38.3 | -172 | -166 | 53 | 0 | 0 | 0 | 112.5 | D399 L400 D445 I446 S447 | D399-N403 PolarHBondContact O-N 3.49Å; L400-N403 PolarHBondContact O-N 3.31Å; N403-D445 PolarHBondContact ND2-OD1 2.9Å; N403-I446 WeakPolarHBondContact O-CB 3.33Å; N403-I446 WeakPolarHBondContact O-CG1 3.38Å; N403-I446 PolarHBondContact O-N 3.48Å; N403-S447 WeakPolarHBondContact ND2-CB 3.41Å; N403-S447 PolarHBondContact ND2-N 2.96Å |
| 404 | Q | 93.3 | Very high | 84.9 | Confident | 50 Ų | 50 | 61.6 Ų | 61.6 | 23% | 0.234 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 160.8 | -175.3 | -73.5 | 173 | -1.6 | 0 | 0 | 111.7 | D399 K402 I444 D445 | D399-Q404 CarbonylContact C-O 3.47Å; D399-Q404 WeakPolarHBondContact CA-O 3.26Å; D399-Q404 PolarHBondContact N-O 3.45Å; D399-Q404 PolarHBondContact O-N 3.34Å; D399-Q404 VanDerWaalsContact O-N 3.09Å; K402-Q404 HydrophobicContact CB-CB 4.4Å; K402-Q404 HydrophobicContact CB-CG 4.44Å; K402-Q404 PolarHBondContact O-N 3.1Å; Q404-I444 CarbonylContact C-O 3.5Å; Q404-I444 VanDerWaalsContact CA-O 3.23Å; Q404-I444 WeakPolarHBondContact CA-O 3.42Å; Q404-D445 HydrophobicContact CG-CB 4.46Å |
| 405 | F | 93.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 155.6 | 167.5 | 65.8 | -73.4 | 0 | 0 | 0 | 109.9 | A360 I361 I364 I395 K397 L398 M407 I444 I446 | A360-F405 HydrophobicContact CB-CE2 3.72Å; A360-F405 HydrophobicContact CB-CZ 3.84Å; I361-F405 HydrophobicContact CG1-CE1 3.9Å; I361-F405 HydrophobicContact CG1-CZ 3.86Å; I364-F405 HydrophobicContact CD1-CB 4.22Å; I364-F405 HydrophobicContact CD1-CD1 3.69Å; I364-F405 HydrophobicContact CD1-CD2 3.65Å; I364-F405 HydrophobicContact CD1-CE1 3.86Å; I364-F405 HydrophobicContact CD1-CE2 3.77Å; I364-F405 HydrophobicContact CD1-CG 3.59Å; I364-F405 HydrophobicContact CD1-CZ 3.9Å; I395-F405 HydrophobicContact CG1-CD2 4.28Å; I395-F405 HydrophobicContact CG1-CE2 4.33Å; I395-F405 HydrophobicContact CG2-CD2 4.25Å; K397-F405 WeakPolarHBondContact O-CA 3.45Å; L398-F405 HydrophobicContact CD2-CB 3.68Å; L398-F405 HydrophobicContact CD2-CG 4.49Å; F405-M407 HydrophobicContact CD2-CG 3.65Å; F405-M407 HydrophobicContact CD2-SD 4.37Å; F405-M407 HydrophobicContact CE2-CG 3.29Å; F405-M407 HydrophobicContact CE2-SD 3.42Å; F405-M407 WeakPolarHBondContact CE2-SD 3.11Å; F405-M407 HydrophobicContact CZ-CG 4.26Å; F405-M407 HydrophobicContact CZ-SD 3.98Å; F405-I444 HydrophobicContact CD1-CB 4.13Å; F405-I444 HydrophobicContact CD1-CG2 4.39Å; F405-I444 HydrophobicContact CE1-CB 3.77Å; F405-I444 HydrophobicContact CE1-CG2 3.58Å; F405-I444 HydrophobicContact CE2-CB 4.4Å; F405-I444 HydrophobicContact CZ-CB 3.91Å; F405-I444 HydrophobicContact CZ-CG1 4.47Å; F405-I444 HydrophobicContact CZ-CG2 3.72Å; F405-I444 PolarHBondContact N-O 3.39Å; F405-I444 PolarHBondContact O-N 3.36Å; F405-I446 HydrophobicContact CD1-CD1 4.27Å; F405-I446 HydrophobicContact CD1-CG1 3.58Å; F405-I446 HydrophobicContact CE1-CG1 3.97Å |
| 406 | I | 93.5 | Very high | 79.7 | Confident | 40 Ų | 40 | 68.4 Ų | 68.4 | 21% | 0.205 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 121.9 | -176.7 | -57.7 | 179.1 | 0 | 0 | 0 | 108.5 | V396 K397 D441 V442 E443 | V396-I406 HydrophobicContact CB-CG2 4.28Å; V396-I406 PolarHBondContact N-O 3.2Å; K397-I406 HydrophobicContact CB-CB 4.38Å; K397-I406 HydrophobicContact CB-CD1 4.31Å; K397-I406 PolarHBondContact O-N 2.84Å; I406-D441 HydrophobicContact CG2-CB 3.84Å; I406-V442 CarbonylContact C-O 3.59Å; I406-V442 WeakPolarHBondContact CA-O 3.21Å; I406-E443 HydrophobicContact CG1-CG 4.21Å |
| 407 | M | 92.8 | Very high | 77.3 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.3 | 173.1 | -65.9 | -169 | 80.4 | 0 | 0 | 111.4 | I356 V357 A360 K394 I395 F405 L409 V442 I444 | I356-M407 HydrophobicContact CG2-CE 4.07Å; V357-M407 HydrophobicContact CB-SD 4.24Å; V357-M407 HydrophobicContact CG1-SD 4.28Å; V357-M407 HydrophobicContact CG2-SD 3.89Å; A360-M407 HydrophobicContact CB-CE 3.79Å; A360-M407 HydrophobicContact CB-SD 3.84Å; K394-M407 HydrophobicContact CB-CE 3.92Å; K394-M407 CarbonylContact O-C 3.46Å; K394-M407 VanDerWaalsContact O-CA 3.25Å; K394-M407 WeakPolarHBondContact O-CA 3.27Å; I395-M407 HydrophobicContact CG1-CE 4.41Å; I395-M407 HydrophobicContact CG1-CG 4.45Å; F405-M407 HydrophobicContact CD2-CG 3.65Å; F405-M407 HydrophobicContact CD2-SD 4.37Å; F405-M407 HydrophobicContact CE2-CG 3.29Å; F405-M407 HydrophobicContact CE2-SD 3.42Å; F405-M407 WeakPolarHBondContact CE2-SD 3.11Å; F405-M407 HydrophobicContact CZ-CG 4.26Å; F405-M407 HydrophobicContact CZ-SD 3.98Å; M407-L409 HydrophobicContact CB-CD1 4.36Å; M407-L409 HydrophobicContact CB-CD2 3.95Å; M407-L409 HydrophobicContact CB-CG 3.94Å; M407-L409 HydrophobicContact CE-CD2 4.19Å; M407-L409 PolarHBondContact O-N 3.25Å; M407-L409 HydrophobicContact SD-CD2 4.47Å; M407-V442 PolarHBondContact N-O 2.86Å; M407-V442 PolarHBondContact O-N 2.86Å; M407-I444 HydrophobicContact CB-CG1 4.28Å; M407-I444 HydrophobicContact CG-CG1 4.05Å; M407-I444 HydrophobicContact SD-CG1 4.23Å |
| 408 | R | 92 | Very high | 74.6 | Confident | 111 Ų | 111 | 76.3 Ų | 76.3 | 42% | 0.419 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 107.9 | 168.7 | -176.3 | 165.6 | -66.5 | 156.5 | 5.2 | 109.6 | K394 V396 T439 D441 | K394-R408 PolarHBondContact O-N 3.47Å; V396-R408 HydrophobicContact CG2-CB 3.63Å; R408-T439 HydrophobicContact CG-CG2 4.1Å; R408-D441 WeakPolarHBondContact CB-OD1 3.42Å; R408-D441 WeakPolarHBondContact CG-OD1 3.14Å; R408-D441 IonicContact CZ-OD1 3.65Å; R408-D441 IonicContact NE-OD1 2.88Å; R408-D441 PolarHBondContact NE-OD1 3.21Å; R408-D441 IonicContact NE-OD2 3.99Å; R408-D441 IonicContact NH2-OD1 3.82Å; R408-D441 IonicContact NH2-OD2 3.52Å; R408-D441 PolarHBondContact NH2-OD2 2.84Å |
| 409 | L | 89.5 | Confident | 72.1 | Confident | 0 Ų | 0 | 84.4 Ų | 84.4 | 0% | 0 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 145.4 | -174 | -59.8 | 179.3 | 0 | 0 | 0 | 110.9 | A349 V350 N353 V357 K394 M407 T439 V440 V442 | A349-L409 HydrophobicContact CB-CB 3.77Å; V350-L409 HydrophobicContact CB-CD1 4.46Å; V350-L409 HydrophobicContact CG2-CD1 3.78Å; N353-L409 HydrophobicContact CB-CD2 3.84Å; V357-L409 HydrophobicContact CG2-CD1 3.7Å; V357-L409 HydrophobicContact CG2-CD2 4.05Å; K394-L409 HydrophobicContact CD-CD2 4.15Å; M407-L409 HydrophobicContact CB-CD1 4.36Å; M407-L409 HydrophobicContact CB-CD2 3.95Å; M407-L409 HydrophobicContact CB-CG 3.94Å; M407-L409 HydrophobicContact CE-CD2 4.19Å; M407-L409 PolarHBondContact O-N 3.25Å; M407-L409 HydrophobicContact SD-CD2 4.47Å; L409-T439 CarbonylContact O-C 3.41Å; L409-T439 WeakPolarHBondContact O-CA 3.3Å; L409-V440 PolarHBondContact N-O 2.88Å; L409-V440 PolarHBondContact O-N 2.76Å; L409-V442 HydrophobicContact CB-CG2 4.41Å; L409-V442 HydrophobicContact CD1-CB 4.3Å; L409-V442 HydrophobicContact CD1-CG2 4.07Å; L409-V442 HydrophobicContact CG-CG2 4.46Å |
| 410 | S | 84.2 | Confident | 69.3 | Low | 26 Ų | 26 | 93 Ų | 93 | 18% | 0.182 | 46% | 0.463 | C | S | . | . | trans | -91.4 | 125 | 173 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | N353 D412 | N353-S410 PolarHBondContact ND2-O 3.14Å; S410-D412 PolarHBondContact O-N 3.12Å; S410-D412 PolarHBondContact OG-N 2.96Å; S410-D412 PolarHBondContact OG-O 3.4Å | ||
| 411 | P | 71.8 | Confident | 66.9 | Low | 17 Ų | 17 | 96.3 Ų | 96.3 | 11% | 0.11 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -79.3 | -0.1 | 170.8 | 35.2 | -33.2 | 0 | 0 | 0 | 112.6 | I348 A349 L352 R438 V440 | I348-P411 HydrophobicContact CG2-CB 4.45Å; A349-P411 HydrophobicContact CB-CB 4.2Å; L352-P411 VanDerWaalsContact CD1-C 3.46Å; L352-P411 WeakPolarHBondContact CD1-O 3.39Å; P411-R438 WeakPolarHBondContact CD-O 3.47Å; P411-R438 HydrophobicContact CG-CB 4.45Å; P411-R438 VanDerWaalsContact CG-O 3.25Å; P411-R438 WeakPolarHBondContact CG-O 3.43Å; P411-V440 HydrophobicContact CG-CG2 4.46Å |
| 412 | D | 71.3 | Confident | 64.7 | Low | 84 Ų | 84 | 96.6 Ų | 96.6 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -99.3 | 128.8 | 176.9 | -61.7 | -30.9 | 0 | 0 | 0 | 109.8 | S410 E414 | S410-D412 PolarHBondContact O-N 3.12Å; S410-D412 PolarHBondContact OG-N 2.96Å; S410-D412 PolarHBondContact OG-O 3.4Å; D412-E414 PolarHBondContact O-N 2.91Å |
| 413 | I | 58.5 | Low | 62.2 | Low | 123 Ų | 123 | 95.9 Ų | 95.9 | 63% | 0.631 | 51% | 0.505 | S | S | * | . | trans | -66.7 | 113 | 170.2 | -60 | 169.7 | 0 | 0 | 0 | 106.9 | L352 S415 | L352-I413 HydrophobicContact CD1-CG1 3.93Å; L352-I413 HydrophobicContact CD2-CD1 3.94Å; L352-I413 HydrophobicContact CD2-CG1 3.57Å; L352-I413 HydrophobicContact CG-CG1 4.36Å; I413-S415 PolarHBondContact O-N 3.11Å | ||
| 414 | E | 51.7 | Low | 59.6 | Low | 154 Ų | 154 | 99.3 Ų | 99.3 | 72% | 0.72 | 52% | 0.524 | S | S | * | . | trans | -65.8 | 80.5 | 163.9 | -78.1 | -173.3 | 158 | 0 | 0 | 108.5 | D412 S416 R437 | D412-E414 PolarHBondContact O-N 2.91Å; E414-S416 PolarHBondContact O-N 3.42Å; E414-S416 VanDerWaalsContact O-N 3.1Å; E414-R437 IonicContact OE1-NH1 3.1Å; E414-R437 PolarHBondContact OE1-NH1 3.05Å; E414-R437 VanDerWaalsContact OE1-NH1 3.1Å | ||
| 415 | S | 38.6 | Very low | 57 | Low | 101 Ų | 101 | 102.5 Ų | 102.5 | 71% | 0.706 | 54% | 0.542 | S | S | * | . | trans | -71.6 | 100.1 | 162 | -95.8 | 0 | 0 | 0 | 0 | 107.6 | I413 M417 | I413-S415 PolarHBondContact O-N 3.11Å; S415-M417 PolarHBondContact O-N 3.16Å | ||
| 416 | S | 32.7 | Very low | 54.5 | Low | 114 Ų | 114 | 110 Ų | 110 | 80% | 0.797 | 58% | 0.578 | S | S | * | * | trans | -67.5 | 75.6 | 166.4 | 53 | 0 | 0 | 0 | 0 | 110.5 | E414 | E414-S416 PolarHBondContact O-N 3.42Å; E414-S416 VanDerWaalsContact O-N 3.1Å | ||
| 417 | M | 37.8 | Very low | 52.1 | Low | 180 Ų | 180 | 116.1 Ų | 116.1 | 89% | 0.887 | 61% | 0.605 | S | S | * | * | trans | -168.1 | 138.4 | 158.2 | -111.5 | 174.1 | 160.8 | 0 | 0 | 112.6 | S415 | S415-M417 PolarHBondContact O-N 3.16Š| ||
| 418 | H | 32.7 | Very low | 49.5 | Very low | 180 Ų | 180 | 121 Ų | 121 | 83% | 0.833 | 64% | 0.639 | S | S | * | * | trans | -26 | 140.5 | 178.9 | -75.1 | -42.7 | 0 | 0 | 0 | 119.7 | ||||
| 419 | E | 38 | Very low | 47 | Very low | 183 Ų | 183 | 122.5 Ų | 122.5 | 86% | 0.855 | 66% | 0.655 | S | S | * | * | 159.5 | 111.7 | 126.7 | -89.8 | 172.6 | 165 | 0 | 0 | 107.9 | |||||
| 420 | K | 31.4 | Very low | 44.6 | Very low | 211 Ų | 211 | 131.7 Ų | 131.7 | 92% | 0.917 | 70% | 0.698 | S | S | * | * | 41.2 | 73.3 | 62 | -80.4 | -163.9 | 179.9 | -177.8 | 0 | 114.5 | |||||
| 421 | A | 35.3 | Very low | 42.2 | Very low | 91 Ų | 91 | 138.8 Ų | 138.8 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | trans | 168 | 132.4 | 143.7 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 422 | I | 40.4 | Very low | 40.7 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | -160.4 | 141.3 | 53.3 | -70.9 | 170.7 | 0 | 0 | 0 | 107.5 | |||||
| 423 | V | 35.6 | Very low | 39.3 | Very low | 119 Ų | 119 | 150 Ų | 150 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | trans | -90 | 155.5 | -179.8 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 424 | N | 36.3 | Very low | 38.5 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 130.4 | 129.6 | 152.6 | -69.7 | 9.7 | 0 | 0 | 0 | 110 | ||||
| 425 | D | 39.2 | Very low | 37.9 | Very low | 117 Ų | 117 | 151.3 Ų | 151.3 | 63% | 0.626 | 80% | 0.798 | S | S | * | * | cis | -172.2 | 153.9 | -5 | -125.7 | -23.9 | 0 | 0 | 0 | 105.4 | ||||
| 426 | E | 40.3 | Very low | 38 | Very low | 158 Ų | 158 | 157.2 Ų | 157.2 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | trans | 59.5 | 120.2 | 148.7 | -65.4 | 173.6 | -176.3 | 0 | 0 | 117.6 | ||||
| 427 | E | 43.2 | Very low | 38.8 | Very low | 168 Ų | 168 | 160.3 Ų | 160.3 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | cis | -174.6 | 150.4 | 27.7 | -105.5 | 172.1 | 168.5 | 0 | 0 | 108.3 | ||||
| 428 | S | 38.8 | Very low | 40.1 | Very low | 101 Ų | 101 | 160.9 Ų | 160.9 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | 78.2 | 95.6 | 149.5 | 65.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 429 | D | 38.4 | Very low | 42.5 | Very low | 143 Ų | 143 | 155.8 Ų | 155.8 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | 64.3 | 77.6 | 122.1 | -54.1 | -13.5 | 0 | 0 | 0 | 121.1 | |||||
| 430 | E | 40.7 | Very low | 44.8 | Very low | 194 Ų | 194 | 148 Ų | 148 | 91% | 0.907 | 74% | 0.739 | S | S | * | * | trans | -150.6 | 82.6 | 133.8 | -73.9 | -157.8 | 167.5 | 0 | 0 | 109.6 | N432 | E430-N432 PolarHBondContact O-N 3.2Š| ||
| 431 | E | 34.2 | Very low | 47.7 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 100.3 | 175.9 | -63.9 | 179.2 | 149.4 | 0 | 0 | 110.9 | ||
| 432 | N | 39.5 | Very low | 50.4 | Low | 164 Ų | 164 | 136.6 Ų | 136.6 | 88% | 0.877 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.6 | -3.4 | 146 | -97.7 | -37.8 | 0 | 0 | 0 | 117.5 | E430 | E430-N432 PolarHBondContact O-N 3.2Š|
| 433 | E | 42.5 | Very low | 52.9 | Low | 173 Ų | 173 | 133.8 Ų | 133.8 | 81% | 0.808 | 66% | 0.658 | S | S | * | * | trans | -107.8 | -4.6 | -172 | -78.9 | -164.4 | 146.4 | 0 | 0 | 117 | Q435 | E433-Q435 VanDerWaalsContact C-N 3.26Å; E433-Q435 PolarHBondContact O-N 3.43Å | ||
| 434 | S | 40.9 | Very low | 55.6 | Low | 118 Ų | 118 | 128.1 Ų | 128.1 | 83% | 0.825 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 3.8 | -168.7 | -22.3 | 0 | 0 | 0 | 0 | 116.3 | ||
| 435 | Q | 39.3 | Very low | 58.4 | Low | 185 Ų | 185 | 123.4 Ų | 123.4 | 86% | 0.864 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | 4.5 | -171.9 | -79.2 | -173.7 | -10.1 | 0 | 0 | 116.7 | E433 R437 | E433-Q435 VanDerWaalsContact C-N 3.26Å; E433-Q435 PolarHBondContact O-N 3.43Å; Q435-R437 VanDerWaalsContact C-N 3.32Å; Q435-R437 PolarHBondContact O-N 2.99Å |
| 436 | R | 39.9 | Very low | 60.9 | Low | 226 Ų | 226 | 118 Ų | 118 | 85% | 0.853 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -75.8 | 89.7 | 164.9 | -75.4 | -175 | -179.6 | 173.7 | 2.3 | 108.8 | R438 | R436-R438 PolarHBondContact O-N 3.03Š|
| 437 | R | 50 | Low | 63.3 | Low | 178 Ų | 178 | 113.9 Ų | 113.9 | 67% | 0.672 | 56% | 0.558 | S | S | * | * | trans | -35.2 | 126.4 | 167.1 | -62.7 | -179.6 | -174.5 | -173.4 | 1.8 | 108.9 | E414 Q435 T439 | E414-R437 IonicContact OE1-NH1 3.1Å; E414-R437 PolarHBondContact OE1-NH1 3.05Å; E414-R437 VanDerWaalsContact OE1-NH1 3.1Å; Q435-R437 VanDerWaalsContact C-N 3.32Å; Q435-R437 PolarHBondContact O-N 2.99Å; R437-T439 PolarHBondContact O-N 2.66Å | ||
| 438 | R | 65.9 | Low | 65.6 | Low | 193 Ų | 193 | 107.8 Ų | 107.8 | 73% | 0.728 | 53% | 0.531 | S | S | * | . | trans | -65 | 64.9 | -166.4 | -71.6 | 178.9 | 173.5 | 172.2 | -1.1 | 112.9 | P411 R436 | P411-R438 WeakPolarHBondContact CD-O 3.47Å; P411-R438 HydrophobicContact CG-CB 4.45Å; P411-R438 VanDerWaalsContact CG-O 3.25Å; P411-R438 WeakPolarHBondContact CG-O 3.43Å; R436-R438 PolarHBondContact O-N 3.03Å | ||
| 439 | T | 81.9 | Confident | 68.2 | Low | 72 Ų | 72 | 106 Ų | 106 | 44% | 0.442 | 51% | 0.513 | S | S | . | . | trans | -76.3 | 143.6 | 177.7 | 56.4 | 0 | 0 | 0 | 0 | 110.9 | R408 L409 R437 | R408-T439 HydrophobicContact CG-CG2 4.1Å; L409-T439 CarbonylContact O-C 3.41Å; L409-T439 WeakPolarHBondContact O-CA 3.3Å; R437-T439 PolarHBondContact O-N 2.66Å | ||
| 440 | V | 87.5 | Confident | 70.8 | Confident | 21 Ų | 21 | 99.2 Ų | 99.2 | 13% | 0.127 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132.2 | 178.9 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | L342 L345 K346 L409 P411 V442 | L342-V440 HydrophobicContact CD1-CG1 4.42Å; L345-V440 HydrophobicContact CB-CG2 4.45Å; K346-V440 HydrophobicContact CG-CG1 3.62Å; L409-V440 PolarHBondContact N-O 2.88Å; L409-V440 PolarHBondContact O-N 2.76Å; P411-V440 HydrophobicContact CG-CG2 4.46Å; V440-V442 HydrophobicContact CG1-CG2 4.35Å |
| 441 | D | 91.4 | Very high | 73.3 | Confident | 61 Ų | 61 | 95.7 Ų | 95.7 | 33% | 0.326 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 115.8 | 175.2 | -68.3 | -6.8 | 0 | 0 | 0 | 108.7 | K346 I406 R408 | K346-D441 VanDerWaalsContact CE-O 3.32Å; K346-D441 WeakPolarHBondContact CE-O 3.42Å; I406-D441 HydrophobicContact CG2-CB 3.84Å; R408-D441 WeakPolarHBondContact CB-OD1 3.42Å; R408-D441 WeakPolarHBondContact CG-OD1 3.14Å; R408-D441 IonicContact CZ-OD1 3.65Å; R408-D441 IonicContact NE-OD1 2.88Å; R408-D441 PolarHBondContact NE-OD1 3.21Å; R408-D441 IonicContact NE-OD2 3.99Å; R408-D441 IonicContact NH2-OD1 3.82Å; R408-D441 IonicContact NH2-OD2 3.52Å; R408-D441 PolarHBondContact NH2-OD2 2.84Å |
| 442 | V | 91.9 | Very high | 76.1 | Confident | 0 Ų | 0 | 94.8 Ų | 94.8 | 0% | 0 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 131.6 | -175 | -166.4 | 0 | 0 | 0 | 0 | 110.4 | K346 A349 V350 I406 M407 L409 V440 I444 L457 | K346-V442 HydrophobicContact CB-CG1 4.04Å; K346-V442 HydrophobicContact CB-CG2 4.09Å; K346-V442 HydrophobicContact CD-CG1 4.49Å; K346-V442 HydrophobicContact CG-CG1 4.36Å; K346-V442 HydrophobicContact CG-CG2 4.06Å; A349-V442 HydrophobicContact CB-CG2 4.35Å; V350-V442 HydrophobicContact CG2-CB 4.25Å; V350-V442 HydrophobicContact CG2-CG1 3.63Å; V350-V442 HydrophobicContact CG2-CG2 4.38Å; I406-V442 CarbonylContact C-O 3.59Å; I406-V442 WeakPolarHBondContact CA-O 3.21Å; M407-V442 PolarHBondContact N-O 2.86Å; M407-V442 PolarHBondContact O-N 2.86Å; L409-V442 HydrophobicContact CB-CG2 4.41Å; L409-V442 HydrophobicContact CD1-CB 4.3Å; L409-V442 HydrophobicContact CD1-CG2 4.07Å; L409-V442 HydrophobicContact CG-CG2 4.46Å; V440-V442 HydrophobicContact CG1-CG2 4.35Å; V442-I444 HydrophobicContact CB-CD1 4.25Å; V442-I444 HydrophobicContact CG1-CD1 3.93Å; V442-L457 HydrophobicContact CG1-CD1 3.75Å |
| 443 | E | 92.6 | Very high | 78.7 | Confident | 107 Ų | 107 | 87.3 Ų | 87.3 | 50% | 0.5 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 121.2 | 172.1 | -68.1 | 160.8 | -154.2 | 0 | 0 | 109.2 | I406 | I406-E443 HydrophobicContact CG1-CG 4.21Å |
| 444 | I | 93.6 | Very high | 81.1 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.3 | -178.9 | -53.7 | -59.1 | 0 | 0 | 0 | 108.5 | V350 V357 I361 Q404 F405 M407 V442 | V350-I444 HydrophobicContact CG2-CD1 3.67Å; V357-I444 HydrophobicContact CG1-CD1 4.02Å; V357-I444 HydrophobicContact CG1-CG1 4.22Å; V357-I444 HydrophobicContact CG1-CG2 3.81Å; I361-I444 HydrophobicContact CD1-CG2 3.84Å; I361-I444 HydrophobicContact CG1-CG2 3.93Å; Q404-I444 CarbonylContact C-O 3.5Å; Q404-I444 VanDerWaalsContact CA-O 3.23Å; Q404-I444 WeakPolarHBondContact CA-O 3.42Å; F405-I444 HydrophobicContact CD1-CB 4.13Å; F405-I444 HydrophobicContact CD1-CG2 4.39Å; F405-I444 HydrophobicContact CE1-CB 3.77Å; F405-I444 HydrophobicContact CE1-CG2 3.58Å; F405-I444 HydrophobicContact CE2-CB 4.4Å; F405-I444 HydrophobicContact CZ-CB 3.91Å; F405-I444 HydrophobicContact CZ-CG1 4.47Å; F405-I444 HydrophobicContact CZ-CG2 3.72Å; F405-I444 PolarHBondContact N-O 3.39Å; F405-I444 PolarHBondContact O-N 3.36Å; M407-I444 HydrophobicContact CB-CG1 4.28Å; M407-I444 HydrophobicContact CG-CG1 4.05Å; M407-I444 HydrophobicContact SD-CG1 4.23Å; V442-I444 HydrophobicContact CB-CD1 4.25Å; V442-I444 HydrophobicContact CG1-CD1 3.93Å |
| 445 | D | 93.8 | Very high | 83.6 | Confident | 37 Ų | 37 | 80.7 Ų | 80.7 | 20% | 0.198 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 122.4 | 173.1 | -173.2 | -23 | 0 | 0 | 0 | 110 | N403 Q404 S447 L448 N453 | N403-D445 PolarHBondContact ND2-OD1 2.9Å; Q404-D445 HydrophobicContact CG-CB 4.46Å; D445-S447 PolarHBondContact O-N 3.28Å; D445-S447 WeakPolarHBondContact OD1-CB 3.38Å; D445-S447 PolarHBondContact OD1-N 3.34Å; D445-S447 PolarHBondContact OD1-OG 3.25Å; D445-S447 PolarHBondContact OD2-OG 2.97Å; D445-L448 HydrophobicContact CB-CB 4.36Å; D445-L448 HydrophobicContact CB-CD1 4.09Å; D445-L448 HydrophobicContact CB-CG 4.16Å; D445-L448 PolarHBondContact O-N 2.97Å; D445-N453 VanDerWaalsContact CB-OD1 3.3Å; D445-N453 WeakPolarHBondContact CB-OD1 3.26Å; D445-N453 PolarHBondContact N-OD1 3.04Å; D445-N453 PolarHBondContact O-ND2 2.95Å |
| 446 | I | 92.3 | Very high | 86.1 | Confident | 4 Ų | 4 | 74.3 Ų | 74.3 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -24.3 | -178.3 | -56.7 | 165.7 | 0 | 0 | 0 | 110.7 | I364 R365 I368 L400 N403 F405 L448 | I364-I446 HydrophobicContact CG2-CD1 3.89Å; I364-I446 HydrophobicContact CG2-CG1 4.34Å; I364-I446 HydrophobicContact CG2-CG2 4.26Å; R365-I446 HydrophobicContact CG-CG2 3.75Å; R365-I446 PolarHBondContact NE-O 3.49Å; R365-I446 PolarHBondContact NH2-O 2.99Å; I368-I446 HydrophobicContact CD1-CD1 4.39Å; I368-I446 HydrophobicContact CD1-CG2 4.34Å; L400-I446 HydrophobicContact CD2-CD1 3.52Å; N403-I446 WeakPolarHBondContact O-CB 3.33Å; N403-I446 WeakPolarHBondContact O-CG1 3.38Å; N403-I446 PolarHBondContact O-N 3.48Å; F405-I446 HydrophobicContact CD1-CD1 4.27Å; F405-I446 HydrophobicContact CD1-CG1 3.58Å; F405-I446 HydrophobicContact CE1-CG1 3.97Å; I446-L448 VanDerWaalsContact C-N 3.31Å; I446-L448 PolarHBondContact O-N 3.36Å |
| 447 | S | 90.7 | Very high | 88.6 | Confident | 71 Ų | 71 | 64.3 Ų | 64.3 | 50% | 0.497 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -16.2 | 178.7 | 70.2 | 0 | 0 | 0 | 0 | 113.9 | R365 N403 D445 | R365-S447 PolarHBondContact NH2-O 3.31Å; N403-S447 WeakPolarHBondContact ND2-CB 3.41Å; N403-S447 PolarHBondContact ND2-N 2.96Å; D445-S447 PolarHBondContact O-N 3.28Å; D445-S447 WeakPolarHBondContact OD1-CB 3.38Å; D445-S447 PolarHBondContact OD1-N 3.34Å; D445-S447 PolarHBondContact OD1-OG 3.25Å; D445-S447 PolarHBondContact OD2-OG 2.97Å |
| 448 | L | 93 | Very high | 90.6 | Very high | 40 Ų | 40 | 58.6 Ų | 58.6 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -106.5 | 160.3 | -176.5 | -59.5 | -178.2 | 0 | 0 | 0 | 110.5 | I361 R365 D445 I446 R452 | I361-L448 WeakPolarHBondContact CD1-O 2.83Å; R365-L448 VanDerWaalsContact NH2-C 3.33Å; R365-L448 PolarHBondContact NH2-O 3.24Å; D445-L448 HydrophobicContact CB-CB 4.36Å; D445-L448 HydrophobicContact CB-CD1 4.09Å; D445-L448 HydrophobicContact CB-CG 4.16Å; D445-L448 PolarHBondContact O-N 2.97Å; I446-L448 VanDerWaalsContact C-N 3.31Å; I446-L448 PolarHBondContact O-N 3.36Å; L448-R452 HydrophobicContact CB-CB 3.96Å; L448-R452 HydrophobicContact CD1-CB 4.33Å; L448-R452 HydrophobicContact CD2-CB 4.27Å; L448-R452 HydrophobicContact CG-CB 4.42Å |
| 449 | N | 92.7 | Very high | 91.8 | Very high | 64 Ų | 64 | 53.1 Ų | 53.1 | 34% | 0.342 | 26% | 0.262 | S | S | . | . | trans | -85 | 168 | 165.7 | 63.7 | 0.7 | 0 | 0 | 0 | 109.6 | F451 R452 N453 | N449-F451 VanDerWaalsContact C-N 3.27Å; N449-F451 PolarHBondContact O-N 3.05Å; N449-R452 PolarHBondContact O-N 3.22Å; N449-R452 VanDerWaalsContact O-N 3.13Å; N449-R452 WeakPolarHBondContact OD1-CB 3.44Å; N449-R452 WeakPolarHBondContact OD1-CG 3.33Å; N449-R452 PolarHBondContact OD1-N 3.49Å; N449-N453 PolarHBondContact O-N 2.71Å; N449-N453 PolarHBondContact O-ND2 2.98Å; N449-N453 VanDerWaalsContact O-ND2 3.14Å | ||
| 450 | A | 92.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.5 | -41.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V350 N354 V357 D358 R452 N453 A454 | V350-A450 HydrophobicContact CG1-CB 4.42Å; V350-A450 WeakPolarHBondContact CG1-O 3.48Å; N354-A450 WeakPolarHBondContact OD1-CB 3.29Å; V357-A450 HydrophobicContact CB-CB 3.82Å; V357-A450 HydrophobicContact CG1-CB 3.68Å; D358-A450 HydrophobicContact CB-CB 4.45Å; D358-A450 VanDerWaalsContact OD1-CB 3.29Å; D358-A450 WeakPolarHBondContact OD1-CB 3.43Å; D358-A450 PolarHBondContact OD1-N 2.98Å; A450-R452 PolarHBondContact O-N 2.95Å; A450-N453 WeakPolarHBondContact O-CB 3.37Å; A450-N453 PolarHBondContact O-N 3.34Å; A450-A454 PolarHBondContact O-N 3.28Å |
| 451 | F | 93.2 | Very high | 92.4 | Very high | 119 Ų | 119 | 55.3 Ų | 55.3 | 52% | 0.522 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 177 | -174.2 | -98.3 | 0 | 0 | 0 | 113.4 | N449 A454 R455 | N449-F451 VanDerWaalsContact C-N 3.27Å; N449-F451 PolarHBondContact O-N 3.05Å; F451-A454 PolarHBondContact O-N 3.32Å; F451-R455 WeakPolarHBondContact O-CB 3.43Å; F451-R455 PolarHBondContact O-N 3.3Å |
| 452 | R | 93.9 | Very high | 92.4 | Very high | 156 Ų | 156 | 59.1 Ų | 59.1 | 59% | 0.589 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -70.2 | -34.5 | 176.8 | -75.7 | -179.8 | -174.8 | -170.6 | 2.9 | 111.9 | L448 N449 A450 R455 S456 | L448-R452 HydrophobicContact CB-CB 3.96Å; L448-R452 HydrophobicContact CD1-CB 4.33Å; L448-R452 HydrophobicContact CD2-CB 4.27Å; L448-R452 HydrophobicContact CG-CB 4.42Å; N449-R452 PolarHBondContact O-N 3.22Å; N449-R452 VanDerWaalsContact O-N 3.13Å; N449-R452 WeakPolarHBondContact OD1-CB 3.44Å; N449-R452 WeakPolarHBondContact OD1-CG 3.33Å; N449-R452 PolarHBondContact OD1-N 3.49Å; A450-R452 PolarHBondContact O-N 2.95Å; R452-R455 PolarHBondContact O-N 3.06Å; R452-S456 WeakPolarHBondContact O-CB 3.47Å; R452-S456 PolarHBondContact O-N 2.97Å |
| 453 | N | 93.8 | Very high | 92.2 | Very high | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.043 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.9 | -49.7 | 171.5 | -83.9 | -61.8 | 0 | 0 | 0 | 111.3 | V350 D445 N449 A450 R455 S456 L457 | V350-N453 HydrophobicContact CG1-CB 4.41Å; D445-N453 VanDerWaalsContact CB-OD1 3.3Å; D445-N453 WeakPolarHBondContact CB-OD1 3.26Å; D445-N453 PolarHBondContact N-OD1 3.04Å; D445-N453 PolarHBondContact O-ND2 2.95Å; N449-N453 PolarHBondContact O-N 2.71Å; N449-N453 PolarHBondContact O-ND2 2.98Å; N449-N453 VanDerWaalsContact O-ND2 3.14Å; A450-N453 WeakPolarHBondContact O-CB 3.37Å; A450-N453 PolarHBondContact O-N 3.34Å; N453-R455 PolarHBondContact O-N 2.94Å; N453-S456 WeakPolarHBondContact O-CB 3.42Å; N453-S456 PolarHBondContact O-N 3.49Å; N453-L457 PolarHBondContact O-N 2.9Å |
| 454 | A | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.5 | -46.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | V350 E351 A450 F451 S456 L457 F458 | V350-A454 HydrophobicContact CB-CB 4.14Å; V350-A454 HydrophobicContact CG1-CB 3.88Å; E351-A454 HydrophobicContact CG-CB 3.71Å; A450-A454 PolarHBondContact O-N 3.28Å; F451-A454 PolarHBondContact O-N 3.32Å; A454-S456 VanDerWaalsContact C-N 3.34Å; A454-S456 PolarHBondContact O-N 3.15Å; A454-L457 WeakPolarHBondContact O-CB 3.47Å; A454-L457 PolarHBondContact O-N 2.6Å; A454-L457 VanDerWaalsContact O-N 3.13Å; A454-F458 WeakPolarHBondContact O-CD2 3.37Å; A454-F458 PolarHBondContact O-N 2.85Å |
| 455 | R | 93.3 | Very high | 91.8 | Very high | 151 Ų | 151 | 61.4 Ų | 61.4 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.6 | -41.7 | 177.7 | -174.9 | 173.6 | 179.8 | 165.3 | 2.3 | 112.8 | F451 R452 N453 L457 F458 D459 | F451-R455 WeakPolarHBondContact O-CB 3.43Å; F451-R455 PolarHBondContact O-N 3.3Å; R452-R455 PolarHBondContact O-N 3.06Å; N453-R455 PolarHBondContact O-N 2.94Å; R455-L457 VanDerWaalsContact C-N 3.28Å; R455-L457 PolarHBondContact O-N 3.45Å; R455-F458 PolarHBondContact O-N 3.01Å; R455-D459 PolarHBondContact O-N 3.22Å |
| 456 | S | 92.1 | Very high | 91.6 | Very high | 51 Ų | 51 | 64 Ų | 64 | 36% | 0.357 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.8 | -41.3 | 175.7 | -173.6 | 0 | 0 | 0 | 0 | 111.5 | R452 N453 A454 D459 Q460 | R452-S456 WeakPolarHBondContact O-CB 3.47Å; R452-S456 PolarHBondContact O-N 2.97Å; N453-S456 WeakPolarHBondContact O-CB 3.42Å; N453-S456 PolarHBondContact O-N 3.49Å; A454-S456 VanDerWaalsContact C-N 3.34Å; A454-S456 PolarHBondContact O-N 3.15Å; S456-D459 PolarHBondContact O-N 3.43Å; S456-Q460 WeakPolarHBondContact O-CG 3.35Å; S456-Q460 PolarHBondContact O-N 2.92Å |
| 457 | L | 91.1 | Very high | 91.5 | Very high | 16 Ų | 16 | 69.8 Ų | 69.8 | 8% | 0.084 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.5 | -37.9 | 176 | -66 | 164.6 | 0 | 0 | 0 | 112.4 | K346 A347 V350 V442 N453 A454 R455 Q460 K461 | K346-L457 HydrophobicContact CB-CD1 3.97Å; K346-L457 HydrophobicContact CB-CD2 4.24Å; K346-L457 HydrophobicContact CD-CD2 4.48Å; A347-L457 HydrophobicContact CB-CB 3.71Å; V350-L457 HydrophobicContact CG2-CD1 4.12Å; V442-L457 HydrophobicContact CG1-CD1 3.75Å; N453-L457 PolarHBondContact O-N 2.9Å; A454-L457 WeakPolarHBondContact O-CB 3.47Å; A454-L457 PolarHBondContact O-N 2.6Å; A454-L457 VanDerWaalsContact O-N 3.13Å; R455-L457 VanDerWaalsContact C-N 3.28Å; R455-L457 PolarHBondContact O-N 3.45Å; L457-Q460 WeakPolarHBondContact O-CB 3.23Å; L457-Q460 PolarHBondContact O-N 3.35Å; L457-K461 PolarHBondContact O-N 2.84Å |
| 458 | F | 92.1 | Very high | 91.5 | Very high | 58 Ų | 58 | 68.1 Ų | 68.1 | 25% | 0.254 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.5 | -38 | 171.9 | -77.1 | -65.1 | 0 | 0 | 0 | 113 | A347 E351 A454 R455 Q460 K461 K462 | A347-F458 HydrophobicContact CB-CD1 3.99Å; A347-F458 HydrophobicContact CB-CD2 3.8Å; A347-F458 HydrophobicContact CB-CE1 3.81Å; A347-F458 HydrophobicContact CB-CE2 3.58Å; A347-F458 HydrophobicContact CB-CG 3.99Å; A347-F458 HydrophobicContact CB-CZ 3.6Å; E351-F458 VanDerWaalsContact CD-CE2 3.43Å; E351-F458 HydrophobicContact CG-CE2 4.1Å; E351-F458 VanDerWaalsContact OE1-CE2 3.26Å; E351-F458 WeakPolarHBondContact OE1-CE2 3.34Å; A454-F458 WeakPolarHBondContact O-CD2 3.37Å; A454-F458 PolarHBondContact O-N 2.85Å; R455-F458 PolarHBondContact O-N 3.01Å; F458-Q460 VanDerWaalsContact C-N 3.32Å; F458-K461 HydrophobicContact CD1-CD 4.45Å; F458-K461 WeakPolarHBondContact O-CB 3.41Å; F458-K461 PolarHBondContact O-N 3.36Å; F458-K462 PolarHBondContact O-N 2.94Å |
| 459 | D | 92.4 | Very high | 91.4 | Very high | 78 Ų | 78 | 69.1 Ų | 69.1 | 42% | 0.417 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 174.3 | -74 | -29.1 | 0 | 0 | 0 | 110.3 | R455 S456 K462 L463 | R455-D459 PolarHBondContact O-N 3.22Å; S456-D459 PolarHBondContact O-N 3.43Å; D459-K462 PolarHBondContact O-N 3.02Å; D459-L463 VanDerWaalsContact O-CG 3.3Å; D459-L463 WeakPolarHBondContact O-CG 3.25Å; D459-L463 PolarHBondContact O-N 3.35Å |
| 460 | Q | 90 | Very high | 91.3 | Very high | 91 Ų | 91 | 73.2 Ų | 73.2 | 43% | 0.425 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 170.8 | -72.2 | 177.6 | 13.8 | 0 | 0 | 112.3 | S456 L457 F458 K462 L463 S464 | S456-Q460 WeakPolarHBondContact O-CG 3.35Å; S456-Q460 PolarHBondContact O-N 2.92Å; L457-Q460 WeakPolarHBondContact O-CB 3.23Å; L457-Q460 PolarHBondContact O-N 3.35Å; F458-Q460 VanDerWaalsContact C-N 3.32Å; Q460-K462 VanDerWaalsContact C-N 3.31Å; Q460-K462 PolarHBondContact O-N 3.17Å; Q460-L463 PolarHBondContact O-N 3.47Å; Q460-S464 WeakPolarHBondContact O-CB 3.39Å; Q460-S464 PolarHBondContact O-N 2.84Å; Q460-S464 PolarHBondContact O-OG 3.48Å |
| 461 | K | 91 | Very high | 91.1 | Very high | 49 Ų | 49 | 74.9 Ų | 74.9 | 21% | 0.213 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -54.3 | -48.1 | 173.4 | 179.3 | -161.1 | 176.3 | 178.1 | 0 | 110.8 | Q340 E344 L457 F458 L463 S464 A465 | Q340-K461 HydrophobicContact CG-CG 3.79Å; E344-K461 HydrophobicContact CB-CD 4.01Å; E344-K461 HydrophobicContact CB-CG 4.47Å; E344-K461 HydrophobicContact CG-CD 4.39Å; E344-K461 IonicContact OE1-NZ 2.66Å; E344-K461 PolarHBondContact OE1-NZ 3.11Å; E344-K461 WeakPolarHBondContact OE2-CE 3.36Å; E344-K461 IonicContact OE2-NZ 3.06Å; E344-K461 PolarHBondContact OE2-NZ 3.31Å; L457-K461 PolarHBondContact O-N 2.84Å; F458-K461 HydrophobicContact CD1-CD 4.45Å; F458-K461 WeakPolarHBondContact O-CB 3.41Å; F458-K461 PolarHBondContact O-N 3.36Å; K461-L463 PolarHBondContact O-N 3.17Å; K461-S464 PolarHBondContact O-N 2.92Å; K461-A465 WeakPolarHBondContact O-CB 3.5Å; K461-A465 PolarHBondContact O-N 3.03Å |
| 462 | K | 90.8 | Very high | 90.9 | Very high | 140 Ų | 140 | 72.6 Ų | 72.6 | 61% | 0.609 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.2 | -41.3 | 179.5 | -172.2 | 177.8 | -179.3 | 179.1 | 0 | 112.1 | F458 D459 Q460 A465 L466 | F458-K462 PolarHBondContact O-N 2.94Å; D459-K462 PolarHBondContact O-N 3.02Å; Q460-K462 VanDerWaalsContact C-N 3.31Å; Q460-K462 PolarHBondContact O-N 3.17Å; K462-A465 PolarHBondContact O-N 2.59Å; K462-L466 WeakPolarHBondContact O-CG 3.32Å; K462-L466 PolarHBondContact O-N 2.72Å |
| 463 | L | 89.2 | Confident | 90.7 | Very high | 103 Ų | 103 | 70.3 Ų | 70.3 | 54% | 0.539 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 175.2 | -70.9 | 172 | 0 | 0 | 0 | 112 | D459 Q460 K461 L466 K467 | D459-L463 VanDerWaalsContact O-CG 3.3Å; D459-L463 WeakPolarHBondContact O-CG 3.25Å; D459-L463 PolarHBondContact O-N 3.35Å; Q460-L463 PolarHBondContact O-N 3.47Å; K461-L463 PolarHBondContact O-N 3.17Å; L463-L466 PolarHBondContact O-N 3.39Å; L463-K467 WeakPolarHBondContact O-CG 3.4Å; L463-K467 PolarHBondContact O-N 2.86Å |
| 464 | S | 86.5 | Confident | 90.5 | Very high | 19 Ų | 19 | 72.8 Ų | 72.8 | 13% | 0.133 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 175 | -66.5 | 0 | 0 | 0 | 0 | 112 | Q460 K461 L466 K467 E468 | Q460-S464 WeakPolarHBondContact O-CB 3.39Å; Q460-S464 PolarHBondContact O-N 2.84Å; Q460-S464 PolarHBondContact O-OG 3.48Å; K461-S464 PolarHBondContact O-N 2.92Å; S464-L466 PolarHBondContact O-N 2.81Å; S464-K467 CarbonylContact O-C 3.57Å; S464-K467 WeakPolarHBondContact O-CA 3.48Å; S464-K467 WeakPolarHBondContact O-CB 3.14Å; S464-K467 PolarHBondContact O-N 3.12Å; S464-K467 VanDerWaalsContact O-N 3.1Å; S464-E468 PolarHBondContact O-N 3.16Å |
| 465 | A | 89.8 | Confident | 90.2 | Very high | 33 Ų | 33 | 73.2 Ų | 73.2 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K461 K462 K467 E468 A469 | K461-A465 WeakPolarHBondContact O-CB 3.5Å; K461-A465 PolarHBondContact O-N 3.03Å; K462-A465 PolarHBondContact O-N 2.59Å; A465-K467 VanDerWaalsContact C-N 3.32Å; A465-K467 PolarHBondContact O-N 2.89Å; A465-E468 PolarHBondContact O-N 3.3Å; A465-A469 PolarHBondContact O-N 3.34Å |
| 466 | L | 91.4 | Very high | 89.9 | Confident | 92 Ų | 92 | 70.5 Ų | 70.5 | 48% | 0.482 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 173.3 | -73.3 | 172.2 | 0 | 0 | 0 | 112.3 | K462 L463 S464 K470 | K462-L466 WeakPolarHBondContact O-CG 3.32Å; K462-L466 PolarHBondContact O-N 2.72Å; L463-L466 PolarHBondContact O-N 3.39Å; S464-L466 PolarHBondContact O-N 2.81Å; L466-K470 WeakPolarHBondContact O-CB 3.49Å; L466-K470 WeakPolarHBondContact O-CG 3.27Å; L466-K470 PolarHBondContact O-N 3.3Å |
| 467 | K | 90.2 | Very high | 89.7 | Confident | 126 Ų | 126 | 74.3 Ų | 74.3 | 55% | 0.548 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.2 | -39.9 | 173.5 | -73 | 171.5 | -177.2 | 175 | 0 | 111.4 | L463 S464 A465 T471 | L463-K467 WeakPolarHBondContact O-CG 3.4Å; L463-K467 PolarHBondContact O-N 2.86Å; S464-K467 CarbonylContact O-C 3.57Å; S464-K467 WeakPolarHBondContact O-CA 3.48Å; S464-K467 WeakPolarHBondContact O-CB 3.14Å; S464-K467 PolarHBondContact O-N 3.12Å; S464-K467 VanDerWaalsContact O-N 3.1Å; A465-K467 VanDerWaalsContact C-N 3.32Å; A465-K467 PolarHBondContact O-N 2.89Å; K467-T471 VanDerWaalsContact O-CB 3.28Å; K467-T471 WeakPolarHBondContact O-CB 3.07Å; K467-T471 PolarHBondContact O-N 3.24Å; K467-T471 PolarHBondContact O-OG1 3.43Å |
| 468 | E | 89.4 | Confident | 89.5 | Confident | 36 Ų | 36 | 75.2 Ų | 75.2 | 17% | 0.168 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.3 | -53.7 | 174.4 | -173.9 | -171.8 | 174.2 | 0 | 0 | 111 | L333 Q337 Q340 S464 A465 K470 T471 L472 | L333-E468 HydrophobicContact CD2-CG 4.34Å; Q337-E468 VanDerWaalsContact CG-OE1 3.31Å; Q337-E468 WeakPolarHBondContact CG-OE1 3.27Å; Q337-E468 PolarHBondContact NE2-OE1 2.78Å; Q340-E468 PolarHBondContact OE1-OE2 2.94Å; S464-E468 PolarHBondContact O-N 3.16Å; A465-E468 PolarHBondContact O-N 3.3Å; E468-K470 VanDerWaalsContact C-N 3.33Å; E468-K470 PolarHBondContact O-N 3.47Å; E468-T471 CarbonylContact O-C 3.6Å; E468-T471 WeakPolarHBondContact O-CA 3.07Å; E468-T471 WeakPolarHBondContact O-CB 3.42Å; E468-T471 PolarHBondContact O-N 3.39Å; E468-L472 PolarHBondContact O-N 2.85Å |
| 469 | A | 90.3 | Very high | 89.4 | Confident | 61 Ų | 61 | 74.6 Ų | 74.6 | 50% | 0.504 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.5 | -43.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A465 L472 E473 | A465-A469 PolarHBondContact O-N 3.34Å; A469-L472 PolarHBondContact O-N 3.16Å; A469-E473 PolarHBondContact O-N 3.46Å; A469-E473 VanDerWaalsContact O-N 3.14Å |
| 470 | K | 90.7 | Very high | 89.2 | Confident | 150 Ų | 150 | 78.4 Ų | 78.4 | 65% | 0.652 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.8 | -37.3 | 175.4 | -73.1 | 177.5 | -179.6 | -178.6 | 0 | 112.6 | L466 E468 A474 | L466-K470 WeakPolarHBondContact O-CB 3.49Å; L466-K470 WeakPolarHBondContact O-CG 3.27Å; L466-K470 PolarHBondContact O-N 3.3Å; E468-K470 VanDerWaalsContact C-N 3.33Å; E468-K470 PolarHBondContact O-N 3.47Å; K470-A474 WeakPolarHBondContact O-CB 3.38Å; K470-A474 PolarHBondContact O-N 3.23Å; K470-A474 VanDerWaalsContact O-N 3.09Å |
| 471 | T | 89.1 | Confident | 89.1 | Confident | 35 Ų | 35 | 77.4 Ų | 77.4 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.7 | -39.1 | 178.2 | -57.7 | 0 | 0 | 0 | 0 | 110.6 | R332 L333 L336 K467 E468 A474 S475 | R332-T471 HydrophobicContact CG-CG2 4.38Å; L333-T471 HydrophobicContact CD2-CG2 4.1Å; L336-T471 HydrophobicContact CD1-CG2 4.13Å; K467-T471 VanDerWaalsContact O-CB 3.28Å; K467-T471 WeakPolarHBondContact O-CB 3.07Å; K467-T471 PolarHBondContact O-N 3.24Å; K467-T471 PolarHBondContact O-OG1 3.43Å; E468-T471 CarbonylContact O-C 3.6Å; E468-T471 WeakPolarHBondContact O-CA 3.07Å; E468-T471 WeakPolarHBondContact O-CB 3.42Å; E468-T471 PolarHBondContact O-N 3.39Å; T471-A474 PolarHBondContact O-N 2.89Å; T471-S475 WeakPolarHBondContact O-CB 3.37Å; T471-S475 PolarHBondContact O-N 3.35Å; T471-S475 PolarHBondContact O-OG 3.15Å |
| 472 | L | 89.4 | Confident | 89 | Confident | 72 Ų | 72 | 75.9 Ų | 75.9 | 38% | 0.377 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62 | -52 | 176.4 | -166.4 | 158.3 | 0 | 0 | 0 | 110.7 | L333 E468 A469 A474 S475 E476 | L333-L472 HydrophobicContact CD2-CB 4.42Å; E468-L472 PolarHBondContact O-N 2.85Å; A469-L472 PolarHBondContact O-N 3.16Å; L472-A474 VanDerWaalsContact C-N 3.34Å; L472-A474 PolarHBondContact O-N 3.37Å; L472-S475 WeakPolarHBondContact CA-OG 3.38Å; L472-S475 PolarHBondContact O-N 2.85Å; L472-S475 VanDerWaalsContact O-N 3.09Å; L472-S475 PolarHBondContact O-OG 3.47Å; L472-E476 HydrophobicContact CD2-CG 4.18Å; L472-E476 PolarHBondContact O-N 3.31Å |
| 473 | E | 89.4 | Confident | 88.9 | Confident | 107 Ų | 107 | 73.8 Ų | 73.8 | 50% | 0.5 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 178.8 | -166.2 | -166 | 160.5 | 0 | 0 | 112.2 | A469 S475 K477 | A469-E473 PolarHBondContact O-N 3.46Å; A469-E473 VanDerWaalsContact O-N 3.14Å; E473-S475 VanDerWaalsContact C-N 3.34Å; E473-K477 PolarHBondContact O-N 2.82Å; E473-K477 WeakPolarHBondContact OE1-CE 3.34Å; E473-K477 IonicContact OE1-NZ 3.24Å; E473-K477 PolarHBondContact OE1-NZ 3.17Å |
| 474 | A | 88.5 | Confident | 88.8 | Confident | 61 Ų | 61 | 74.9 Ų | 74.9 | 50% | 0.504 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | K470 T471 L472 A478 | K470-A474 WeakPolarHBondContact O-CB 3.38Å; K470-A474 PolarHBondContact O-N 3.23Å; K470-A474 VanDerWaalsContact O-N 3.09Å; T471-A474 PolarHBondContact O-N 2.89Å; L472-A474 VanDerWaalsContact C-N 3.34Å; L472-A474 PolarHBondContact O-N 3.37Å; A474-A478 WeakPolarHBondContact O-CB 3.37Å; A474-A478 PolarHBondContact O-N 3.07Å |
| 475 | S | 86.7 | Confident | 88.8 | Confident | 8 Ų | 8 | 80.2 Ų | 80.2 | 6% | 0.056 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 179.2 | 75.7 | 0 | 0 | 0 | 0 | 112.1 | T471 L472 E473 K477 A478 L479 | T471-S475 WeakPolarHBondContact O-CB 3.37Å; T471-S475 PolarHBondContact O-N 3.35Å; T471-S475 PolarHBondContact O-OG 3.15Å; L472-S475 WeakPolarHBondContact CA-OG 3.38Å; L472-S475 PolarHBondContact O-N 2.85Å; L472-S475 VanDerWaalsContact O-N 3.09Å; L472-S475 PolarHBondContact O-OG 3.47Å; E473-S475 VanDerWaalsContact C-N 3.34Å; S475-K477 PolarHBondContact O-N 3.22Å; S475-A478 PolarHBondContact O-N 2.72Å; S475-L479 WeakPolarHBondContact O-CB 2.89Å; S475-L479 VanDerWaalsContact O-CG 3.29Å; S475-L479 WeakPolarHBondContact O-CG 3.44Å; S475-L479 PolarHBondContact O-N 3.35Å |
| 476 | E | 87.7 | Confident | 88.5 | Confident | 94 Ų | 94 | 79.6 Ų | 79.6 | 44% | 0.439 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 178 | -73.3 | -170.2 | 169.7 | 0 | 0 | 112 | L472 A478 L479 R480 | L472-E476 HydrophobicContact CD2-CG 4.18Å; L472-E476 PolarHBondContact O-N 3.31Å; E476-A478 VanDerWaalsContact C-N 3.35Å; E476-L479 PolarHBondContact O-N 2.97Å; E476-R480 WeakPolarHBondContact O-CG 3.5Å; E476-R480 PolarHBondContact O-N 3.45Å |
| 477 | K | 89 | Confident | 88.1 | Confident | 131 Ų | 131 | 80.9 Ų | 80.9 | 57% | 0.57 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63 | -43 | 176.8 | -69.5 | 177.6 | -172 | 168.5 | 0 | 111.1 | E473 S475 S481 | E473-K477 PolarHBondContact O-N 2.82Å; E473-K477 WeakPolarHBondContact OE1-CE 3.34Å; E473-K477 IonicContact OE1-NZ 3.24Å; E473-K477 PolarHBondContact OE1-NZ 3.17Å; S475-K477 PolarHBondContact O-N 3.22Å; K477-S481 PolarHBondContact O-N 3.02Å; K477-S481 VanDerWaalsContact O-N 3.15Å |
| 478 | A | 86.6 | Confident | 87.7 | Confident | 36 Ų | 36 | 80.9 Ų | 80.9 | 30% | 0.298 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A474 S475 E476 R480 S481 A482 | A474-A478 WeakPolarHBondContact O-CB 3.37Å; A474-A478 PolarHBondContact O-N 3.07Å; S475-A478 PolarHBondContact O-N 2.72Å; E476-A478 VanDerWaalsContact C-N 3.35Å; A478-R480 PolarHBondContact O-N 3.38Å; A478-S481 PolarHBondContact O-N 2.93Å; A478-S481 PolarHBondContact O-OG 3.35Å; A478-A482 WeakPolarHBondContact O-CB 3.48Å; A478-A482 PolarHBondContact O-N 2.99Å |
| 479 | L | 89 | Confident | 87.3 | Confident | 44 Ų | 44 | 82.3 Ų | 82.3 | 23% | 0.23 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 179.4 | -76.6 | 170.7 | 0 | 0 | 0 | 112.4 | I325 R326 S475 E476 S481 A482 Q483 | I325-L479 HydrophobicContact CG2-CD2 4.02Å; R326-L479 HydrophobicContact CB-CD2 4.34Å; S475-L479 WeakPolarHBondContact O-CB 2.89Å; S475-L479 VanDerWaalsContact O-CG 3.29Å; S475-L479 WeakPolarHBondContact O-CG 3.44Å; S475-L479 PolarHBondContact O-N 3.35Å; E476-L479 PolarHBondContact O-N 2.97Å; L479-S481 PolarHBondContact O-N 2.95Å; L479-A482 PolarHBondContact O-N 3.47Å; L479-Q483 WeakPolarHBondContact O-CB 3.37Å; L479-Q483 VanDerWaalsContact O-CG 3.31Å; L479-Q483 WeakPolarHBondContact O-CG 3.37Å; L479-Q483 PolarHBondContact O-N 2.99Å |
| 480 | R | 88.7 | Confident | 86.6 | Confident | 159 Ų | 159 | 80.7 Ų | 80.7 | 60% | 0.6 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.3 | -43.2 | 176 | -72 | -179.5 | -171 | 172.9 | 7.7 | 112 | E476 A478 A482 Q483 Q484 | E476-R480 WeakPolarHBondContact O-CG 3.5Å; E476-R480 PolarHBondContact O-N 3.45Å; A478-R480 PolarHBondContact O-N 3.38Å; R480-A482 VanDerWaalsContact C-N 3.34Å; R480-Q483 PolarHBondContact O-N 2.91Å; R480-Q484 WeakPolarHBondContact O-CG 3.38Å; R480-Q484 PolarHBondContact O-N 3.33Å |
| 481 | S | 88.9 | Confident | 85.8 | Confident | 70 Ų | 70 | 80.2 Ų | 80.2 | 49% | 0.49 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 177.3 | 77.3 | 0 | 0 | 0 | 0 | 112.1 | K477 A478 L479 K485 | K477-S481 PolarHBondContact O-N 3.02Å; K477-S481 VanDerWaalsContact O-N 3.15Å; A478-S481 PolarHBondContact O-N 2.93Å; A478-S481 PolarHBondContact O-OG 3.35Å; L479-S481 PolarHBondContact O-N 2.95Å; S481-K485 WeakPolarHBondContact O-CB 3.41Å; S481-K485 PolarHBondContact O-N 3.45Å; S481-K485 VanDerWaalsContact O-N 3.1Å |
| 482 | A | 87.8 | Confident | 84.9 | Confident | 17 Ų | 17 | 84.1 Ų | 84.1 | 14% | 0.14 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I325 A478 L479 R480 Q484 K485 T486 | I325-A482 HydrophobicContact CD1-CB 4.2Å; A478-A482 WeakPolarHBondContact O-CB 3.48Å; A478-A482 PolarHBondContact O-N 2.99Å; L479-A482 PolarHBondContact O-N 3.47Å; R480-A482 VanDerWaalsContact C-N 3.34Å; A482-Q484 PolarHBondContact O-N 3.31Å; A482-K485 PolarHBondContact O-N 3.25Å; A482-T486 WeakPolarHBondContact O-CB 3.22Å; A482-T486 PolarHBondContact O-N 3.21Å; A482-T486 PolarHBondContact O-OG1 2.98Å |
| 483 | Q | 88.2 | Confident | 83.7 | Confident | 95 Ų | 95 | 81.9 Ų | 81.9 | 44% | 0.444 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56.7 | -48 | 175.4 | -79.1 | 172.5 | -12 | 0 | 0 | 112.3 | L322 L479 R480 T486 Q487 | L322-Q483 HydrophobicContact CD1-CB 4.47Å; L322-Q483 HydrophobicContact CD1-CG 3.83Å; L479-Q483 WeakPolarHBondContact O-CB 3.37Å; L479-Q483 VanDerWaalsContact O-CG 3.31Å; L479-Q483 WeakPolarHBondContact O-CG 3.37Å; L479-Q483 PolarHBondContact O-N 2.99Å; R480-Q483 PolarHBondContact O-N 2.91Å; Q483-T486 PolarHBondContact O-N 3.39Å; Q483-Q487 WeakPolarHBondContact O-CG 3.41Å; Q483-Q487 PolarHBondContact O-N 3.08Å |
| 484 | Q | 88 | Confident | 82.3 | Confident | 127 Ų | 127 | 81.9 Ų | 81.9 | 59% | 0.593 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.5 | -43.3 | 179 | -71.7 | -179.9 | -1.7 | 0 | 0 | 112.3 | R480 A482 Q487 Q488 | R480-Q484 WeakPolarHBondContact O-CG 3.38Å; R480-Q484 PolarHBondContact O-N 3.33Å; A482-Q484 PolarHBondContact O-N 3.31Å; Q484-Q487 PolarHBondContact O-N 3.35Å; Q484-Q488 PolarHBondContact O-N 3.03Å |
| 485 | K | 86.6 | Confident | 80.3 | Confident | 131 Ų | 131 | 86.3 Ų | 86.3 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.1 | -43.3 | 176.9 | -171.6 | 177.2 | 178.7 | 179.9 | 0 | 111.6 | S481 A482 Q487 Q488 E489 | S481-K485 WeakPolarHBondContact O-CB 3.41Å; S481-K485 PolarHBondContact O-N 3.45Å; S481-K485 VanDerWaalsContact O-N 3.1Å; A482-K485 PolarHBondContact O-N 3.25Å; K485-Q487 PolarHBondContact O-N 3.35Å; K485-Q488 PolarHBondContact O-N 2.85Å; K485-E489 PolarHBondContact O-N 3.5Å |
| 486 | T | 83.8 | Confident | 78.4 | Confident | 20 Ų | 20 | 93.5 Ų | 93.5 | 12% | 0.123 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 174.2 | -61.5 | 0 | 0 | 0 | 0 | 111.3 | V318 L322 A482 Q483 Q488 E489 L490 | V318-T486 HydrophobicContact CG1-CG2 3.54Å; L322-T486 HydrophobicContact CD1-CG2 4.04Å; A482-T486 WeakPolarHBondContact O-CB 3.22Å; A482-T486 PolarHBondContact O-N 3.21Å; A482-T486 PolarHBondContact O-OG1 2.98Å; Q483-T486 PolarHBondContact O-N 3.39Å; T486-Q488 PolarHBondContact O-N 3.13Å; T486-E489 PolarHBondContact O-N 2.92Å; T486-L490 HydrophobicContact CG2-CD1 4.15Å; T486-L490 WeakPolarHBondContact O-CB 3.34Å; T486-L490 VanDerWaalsContact O-CG 3.3Å; T486-L490 WeakPolarHBondContact O-CG 3.28Å; T486-L490 PolarHBondContact O-N 3.01Å |
| 487 | Q | 82.4 | Confident | 76 | Confident | 118 Ų | 118 | 93 Ų | 93 | 55% | 0.551 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.1 | -40.2 | 176.5 | -74.7 | 179.8 | 12.9 | 0 | 0 | 112.8 | Q483 Q484 K485 K491 | Q483-Q487 WeakPolarHBondContact O-CG 3.41Å; Q483-Q487 PolarHBondContact O-N 3.08Å; Q484-Q487 PolarHBondContact O-N 3.35Å; K485-Q487 PolarHBondContact O-N 3.35Å; Q487-K491 WeakPolarHBondContact O-CG 3.19Å; Q487-K491 PolarHBondContact O-N 2.86Å; Q487-K491 VanDerWaalsContact O-N 3.09Å |
| 488 | Q | 81.6 | Confident | 73.6 | Confident | 127 Ų | 127 | 94.5 Ų | 94.5 | 59% | 0.593 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.2 | -42.5 | 175.3 | -71.1 | 178.9 | -0.3 | 0 | 0 | 112 | Q484 K485 T486 K491 N492 | Q484-Q488 PolarHBondContact O-N 3.03Å; K485-Q488 PolarHBondContact O-N 2.85Å; T486-Q488 PolarHBondContact O-N 3.13Å; Q488-K491 PolarHBondContact O-N 3.4Å; Q488-N492 PolarHBondContact O-N 3.07Å; Q488-N492 VanDerWaalsContact O-N 3.12Å; Q488-N492 PolarHBondContact O-ND2 2.6Å |
| 489 | E | 80.4 | Confident | 71.5 | Confident | 66 Ų | 66 | 97.7 Ų | 97.7 | 31% | 0.308 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 174.8 | -75.7 | -175.5 | -167.5 | 0 | 0 | 111.3 | V318 K485 T486 K491 N492 V493 | V318-E489 HydrophobicContact CG1-CB 4.3Å; K485-E489 PolarHBondContact O-N 3.5Å; T486-E489 PolarHBondContact O-N 2.92Å; E489-K491 PolarHBondContact O-N 3.02Å; E489-N492 PolarHBondContact O-N 3.36Å; E489-V493 WeakPolarHBondContact O-CG2 3.46Å; E489-V493 PolarHBondContact O-N 3.47Å; E489-V493 VanDerWaalsContact O-N 3.09Å |
| 490 | L | 76.3 | Confident | 69.3 | Low | 27 Ų | 27 | 98.4 Ų | 98.4 | 14% | 0.141 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 176.3 | -72.9 | 170.1 | 0 | 0 | 0 | 112.5 | E315 V318 T486 N492 V493 R494 | E315-L490 HydrophobicContact CB-CD2 4.06Å; E315-L490 HydrophobicContact CG-CD2 3.96Å; V318-L490 HydrophobicContact CB-CD2 4.45Å; V318-L490 HydrophobicContact CG1-CD2 4.15Å; V318-L490 HydrophobicContact CG1-CG 4.07Å; T486-L490 HydrophobicContact CG2-CD1 4.15Å; T486-L490 WeakPolarHBondContact O-CB 3.34Å; T486-L490 VanDerWaalsContact O-CG 3.3Å; T486-L490 WeakPolarHBondContact O-CG 3.28Å; T486-L490 PolarHBondContact O-N 3.01Å; L490-N492 VanDerWaalsContact C-N 3.3Å; L490-N492 PolarHBondContact O-N 3.43Å; L490-V493 PolarHBondContact O-N 3.49Å; L490-R494 PolarHBondContact O-N 3.18Å |
| 491 | K | 73.1 | Confident | 67.3 | Low | 139 Ų | 139 | 97 Ų | 97 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.2 | -39.8 | 175.4 | -74.5 | 178.1 | -178.4 | -177.6 | 0 | 112.2 | Q487 Q488 E489 R494 | Q487-K491 WeakPolarHBondContact O-CG 3.19Å; Q487-K491 PolarHBondContact O-N 2.86Å; Q487-K491 VanDerWaalsContact O-N 3.09Å; Q488-K491 PolarHBondContact O-N 3.4Å; E489-K491 PolarHBondContact O-N 3.02Å; K491-R494 PolarHBondContact O-N 3.42Å |
| 492 | N | 70.7 | Confident | 65.7 | Low | 118 Ų | 118 | 97.7 Ų | 97.7 | 63% | 0.631 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.9 | -30.5 | 178.9 | -70.8 | -25.1 | 0 | 0 | 0 | 113.1 | Q488 E489 L490 | Q488-N492 PolarHBondContact O-N 3.07Å; Q488-N492 VanDerWaalsContact O-N 3.12Å; Q488-N492 PolarHBondContact O-ND2 2.6Å; E489-N492 PolarHBondContact O-N 3.36Å; L490-N492 VanDerWaalsContact C-N 3.3Å; L490-N492 PolarHBondContact O-N 3.43Å |
| 493 | V | 65.2 | Low | 64.7 | Low | 24 Ų | 24 | 99.8 Ų | 99.8 | 15% | 0.145 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -69.5 | -38.8 | 175.2 | 178.2 | 0 | 0 | 0 | 0 | 111 | Q311 Q314 E315 E489 L490 H495 | Q311-V493 HydrophobicContact CB-CG1 4.17Å; Q311-V493 HydrophobicContact CG-CG1 4.32Å; Q314-V493 HydrophobicContact CB-CG1 4.31Å; Q314-V493 HydrophobicContact CB-CG2 4.48Å; E315-V493 HydrophobicContact CG-CG1 4.13Å; E489-V493 WeakPolarHBondContact O-CG2 3.46Å; E489-V493 PolarHBondContact O-N 3.47Å; E489-V493 VanDerWaalsContact O-N 3.09Å; L490-V493 PolarHBondContact O-N 3.49Å; V493-H495 VanDerWaalsContact C-N 3.31Å; V493-H495 PolarHBondContact O-N 2.92Å |
| 494 | R | 60 | Low | 63.7 | Low | 108 Ų | 108 | 102.6 Ų | 102.6 | 41% | 0.408 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.7 | -27.1 | -179.1 | -70 | -176.2 | -175.1 | -179 | 5.7 | 114.4 | S261 A262 E315 L490 K491 K496 | S261-R494 VanDerWaalsContact C-NH2 3.3Å; S261-R494 PolarHBondContact O-NH2 2.89Å; A262-R494 VanDerWaalsContact CB-CZ 3.49Å; A262-R494 VanDerWaalsContact CB-NH2 3.31Å; A262-R494 VanDerWaalsContact N-NH2 3.15Å; E315-R494 IonicContact OE1-NE 2.82Å; L490-R494 PolarHBondContact O-N 3.18Å; K491-R494 PolarHBondContact O-N 3.42Å; R494-K496 PolarHBondContact O-N 2.75Å; R494-K496 VanDerWaalsContact O-N 3.09Å |
| 495 | H | 45.4 | Very low | 63.2 | Low | 154 Ų | 154 | 99.5 Ų | 99.5 | 71% | 0.713 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -86.9 | 73.7 | -179 | -76.6 | -4.6 | 0 | 0 | 0 | 111.8 | V493 | V493-H495 VanDerWaalsContact C-N 3.31Å; V493-H495 PolarHBondContact O-N 2.92Å |
| 496 | K | 46.6 | Very low | 63.1 | Low | 158 Ų | 158 | 94.1 Ų | 94.1 | 69% | 0.687 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -167.5 | 125.5 | 156.5 | -99.2 | 138.1 | -167.2 | 179.6 | 0 | 111.6 | Q311 R494 | Q311-K496 PolarHBondContact NE2-O 2.68Å; R494-K496 PolarHBondContact O-N 2.75Å; R494-K496 VanDerWaalsContact O-N 3.09Å |
| 497 | T | 38.1 | Very low | 63.3 | Low | 83 Ų | 83 | 94.5 Ų | 94.5 | 51% | 0.509 | 47% | 0.471 | S | S | . | . | trans | 70.7 | 93.4 | 152.7 | 57.6 | 0 | 0 | 0 | 0 | 119.2 | L307 | L307-T497 WeakPolarHBondContact CD2-OG1 3.43Š| ||
| 498 | N | 37.8 | Very low | 63.6 | Low | 163 Ų | 163 | 88.9 Ų | 88.9 | 87% | 0.872 | 45% | 0.445 | S | S | * | . | trans | -77.5 | 118 | 147.8 | -90.7 | -25.4 | 0 | 0 | 0 | 108.6 | ||||
| 499 | I | 42.6 | Very low | 63.9 | Low | 103 Ų | 103 | 84.8 Ų | 84.8 | 53% | 0.528 | 43% | 0.426 | S | S | . | . | trans | -89.4 | 100.8 | 169.2 | -64.8 | 156.1 | 0 | 0 | 0 | 106.2 | A304 L307 | A304-I499 HydrophobicContact CB-CD1 4.13Å; L307-I499 HydrophobicContact CD2-CD1 4.16Å | ||
| 500 | G | 44.1 | Very low | 64.3 | Low | 59 Ų | 59 | 85.5 Ų | 85.5 | 61% | 0.608 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 141.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I502 | G500-I502 PolarHBondContact O-N 3.47Š|
| 501 | K | 45.7 | Very low | 65.1 | Low | 130 Ų | 130 | 84.2 Ų | 84.2 | 57% | 0.565 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 124.8 | 168.9 | -177.1 | 166.6 | -175.6 | 175.2 | 0 | 108.9 | F62 R503 | F62-K501 HydrophobicContact CD1-CB 4.44Å; F62-K501 HydrophobicContact CD1-CG 3.93Å; F62-K501 HydrophobicContact CE1-CB 4.02Å; F62-K501 HydrophobicContact CE1-CD 3.8Å; F62-K501 HydrophobicContact CE1-CG 3.55Å; F62-K501 HydrophobicContact CZ-CD 4.08Å; F62-K501 HydrophobicContact CZ-CG 4.31Å; K501-R503 PolarHBondContact O-N 3.44Å |
| 502 | I | 54.5 | Low | 66.1 | Low | 84 Ų | 84 | 78.5 Ų | 78.5 | 43% | 0.431 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 119.4 | 178.4 | -73.2 | 162.3 | 0 | 0 | 0 | 107.9 | G63 G500 | G63-I502 WeakPolarHBondContact O-CD1 3.18Å; G500-I502 PolarHBondContact O-N 3.47Å |
| 503 | R | 67.6 | Low | 67.2 | Low | 61 Ų | 61 | 73 Ų | 73 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -60 | 139.3 | 179.1 | 159.3 | -172.1 | 177 | 179.4 | 5.2 | 112.3 | K501 A505 E509 Y852 A853 L854 | K501-R503 PolarHBondContact O-N 3.44Å; R503-A505 PolarHBondContact O-N 3.29Å; R503-E509 IonicContact CZ-OE1 3.75Å; R503-E509 IonicContact CZ-OE2 3.61Å; R503-E509 IonicContact NE-OE1 3.15Å; R503-E509 IonicContact NH1-OE2 3.58Å; R503-E509 IonicContact NH2-OE1 3.62Å; R503-E509 PolarHBondContact NH2-OE1 3.39Å; R503-E509 IonicContact NH2-OE2 2.74Å; R503-E509 PolarHBondContact NH2-OE2 3.27Å; R503-Y852 HydrophobicContact CB-CD1 3.94Å; R503-Y852 HydrophobicContact CB-CE1 4Å; R503-Y852 HydrophobicContact CB-CG 4.37Å; R503-Y852 VanDerWaalsContact CD-CD2 3.41Å; R503-Y852 VanDerWaalsContact CD-CZ 3.42Å; R503-Y852 HydrophobicContact CG-CD1 3.82Å; R503-Y852 HydrophobicContact CG-CD2 4.28Å; R503-Y852 HydrophobicContact CG-CE1 3.46Å; R503-Y852 VanDerWaalsContact CG-CE1 3.46Å; R503-Y852 HydrophobicContact CG-CE2 4.02Å; R503-Y852 HydrophobicContact CG-CG 4.18Å; R503-Y852 PolarHBondContact NE-OH 3.01Å; R503-A853 PolarHBondContact NH1-O 2.8Å; R503-L854 VanDerWaalsContact CZ-CD2 3.43Å; R503-L854 VanDerWaalsContact CZ-CG 3.45Å |
| 504 | K | 68.2 | Low | 68.6 | Low | 155 Ų | 155 | 71.9 Ų | 71.9 | 67% | 0.674 | 36% | 0.36 | S | S | * | . | trans | -69.8 | 113.5 | 159.1 | -170 | -178.9 | 174.3 | -164.9 | 0 | 108.7 | E832 | K504-E832 IonicContact NZ-OE1 3.39Å; K504-E832 PolarHBondContact NZ-OE1 3.29Å | ||
| 505 | A | 77.2 | Confident | 70.1 | Confident | 62 Ų | 62 | 67.1 Ų | 67.1 | 51% | 0.512 | 34% | 0.343 | S | S | . | . | trans | -71.7 | 137.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | R503 E509 | R503-A505 PolarHBondContact O-N 3.29Å; A505-E509 WeakPolarHBondContact CA-OE1 3.32Å | ||
| 506 | F | 84.5 | Confident | 72.4 | Confident | 18 Ų | 18 | 60 Ų | 60 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | trans | -64.7 | 148.7 | 170.5 | -63.4 | -79.3 | 0 | 0 | 0 | 110.1 | F508 E509 A836 L840 L854 | F506-F508 HydrophobicContact CB-CD1 3.87Å; F506-F508 HydrophobicContact CB-CD2 4.35Å; F506-F508 HydrophobicContact CB-CE1 3.4Å; F506-F508 VanDerWaalsContact CB-CE1 3.4Å; F506-F508 HydrophobicContact CB-CE2 3.92Å; F506-F508 HydrophobicContact CB-CG 4.32Å; F506-F508 HydrophobicContact CB-CZ 3.42Å; F506-F508 VanDerWaalsContact CB-CZ 3.42Å; F506-F508 HydrophobicContact CD1-CE1 4.09Å; F506-F508 HydrophobicContact CD1-CZ 4.25Å; F506-F508 HydrophobicContact CD2-CE1 4.45Å; F506-F508 HydrophobicContact CD2-CE2 4.45Å; F506-F508 AromaticContact CD2-CZ 3.83Å; F506-F508 HydrophobicContact CD2-CZ 3.83Å; F506-F508 AromaticContact CG-CE1 3.77Å; F506-F508 HydrophobicContact CG-CE1 3.77Å; F506-F508 HydrophobicContact CG-CE2 4.4Å; F506-F508 AromaticContact CG-CZ 3.6Å; F506-F508 HydrophobicContact CG-CZ 3.6Å; F506-F508 PolarHBondContact O-N 3.24Å; F506-F508 VanDerWaalsContact O-N 3.14Å; F506-E509 HydrophobicContact CB-CG 4.22Å; F506-E509 WeakPolarHBondContact CD2-OE1 3.34Å; F506-E509 PolarHBondContact N-OE1 3.17Å; F506-E509 PolarHBondContact O-N 2.8Å; F506-A836 HydrophobicContact CD1-CB 3.6Å; F506-A836 HydrophobicContact CE1-CB 3.36Å; F506-A836 HydrophobicContact CE2-CB 4.42Å; F506-A836 HydrophobicContact CG-CB 4.2Å; F506-A836 HydrophobicContact CZ-CB 3.78Å; F506-L840 HydrophobicContact CD2-CD1 4.46Å; F506-L840 HydrophobicContact CE2-CD1 3.9Å; F506-L840 HydrophobicContact CE2-CD2 4.05Å; F506-L840 HydrophobicContact CE2-CG 4.2Å; F506-L840 HydrophobicContact CZ-CD1 4.33Å; F506-L840 HydrophobicContact CZ-CD2 4.45Å; F506-L840 HydrophobicContact CZ-CG 4.36Å; F506-L854 HydrophobicContact CD2-CD1 4.36Å; F506-L854 HydrophobicContact CE2-CD1 4.15Å | ||
| 507 | W | 86.9 | Confident | 74.4 | Confident | 28 Ų | 28 | 54.7 Ų | 54.7 | 11% | 0.106 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -59.6 | -29.4 | -174.8 | 68.4 | -98.3 | 0 | 0 | 0 | 113.5 | K510 F511 L521 I523 Y538 V829 T833 | W507-K510 VanDerWaalsContact O-CD 3.27Å; W507-K510 WeakPolarHBondContact O-CD 3.37Å; W507-K510 VanDerWaalsContact O-CE 3.24Å; W507-K510 WeakPolarHBondContact O-CE 3.49Å; W507-K510 WeakPolarHBondContact O-CG 3.5Å; W507-F511 HydrophobicContact CE3-CE2 4.16Å; W507-F511 HydrophobicContact CZ3-CD2 4.22Å; W507-F511 AromaticContact CZ3-CE2 3.91Å; W507-F511 HydrophobicContact CZ3-CE2 3.91Å; W507-L521 HydrophobicContact CZ2-CD2 4.05Å; W507-I523 HydrophobicContact CH2-CD1 3.82Å; W507-I523 HydrophobicContact CZ3-CD1 4.03Å; W507-Y538 HydrophobicContact CD2-CE1 4Å; W507-Y538 AromaticContact CE3-CD1 3.85Å; W507-Y538 HydrophobicContact CE3-CD1 3.85Å; W507-Y538 AromaticContact CE3-CE1 3.34Å; W507-Y538 HydrophobicContact CE3-CE1 3.34Å; W507-Y538 HydrophobicContact CE3-CE2 4.32Å; W507-Y538 AromaticContact CE3-CZ 3.59Å; W507-Y538 AromaticContact CH2-CD1 3.48Å; W507-Y538 HydrophobicContact CH2-CD1 3.48Å; W507-Y538 VanDerWaalsContact CH2-CD1 3.48Å; W507-Y538 AromaticContact CH2-CE1 3.89Å; W507-Y538 HydrophobicContact CH2-CE1 3.89Å; W507-Y538 AromaticContact CH2-CG 3.98Å; W507-Y538 HydrophobicContact CH2-CG 3.98Å; W507-Y538 HydrophobicContact CZ2-CD1 4.25Å; W507-Y538 HydrophobicContact CZ2-CE1 4.48Å; W507-Y538 AromaticContact CZ3-CD1 3.26Å; W507-Y538 HydrophobicContact CZ3-CD1 3.26Å; W507-Y538 HydrophobicContact CZ3-CD2 4.07Å; W507-Y538 AromaticContact CZ3-CE1 3.28Å; W507-Y538 HydrophobicContact CZ3-CE1 3.28Å; W507-Y538 HydrophobicContact CZ3-CE2 4.06Å; W507-Y538 AromaticContact CZ3-CG 3.67Å; W507-Y538 HydrophobicContact CZ3-CG 3.67Å; W507-Y538 AromaticContact CZ3-CZ 3.67Å; W507-V829 HydrophobicContact CH2-CG1 4.34Å; W507-V829 HydrophobicContact CZ2-CG1 3.7Å; W507-T833 WeakPolarHBondContact CZ2-OG1 3.49Å; W507-T833 PolarHBondContact NE1-OG1 2.74Å; W507-T833 VanDerWaalsContact NE1-OG1 3.16Å |
| 508 | F | 89 | Confident | 76.8 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -80.4 | -16.9 | -177.4 | 56.6 | -104.8 | 0 | 0 | 0 | 114 | F506 K510 F511 W513 L521 I523 A836 L840 | F506-F508 HydrophobicContact CB-CD1 3.87Å; F506-F508 HydrophobicContact CB-CD2 4.35Å; F506-F508 HydrophobicContact CB-CE1 3.4Å; F506-F508 VanDerWaalsContact CB-CE1 3.4Å; F506-F508 HydrophobicContact CB-CE2 3.92Å; F506-F508 HydrophobicContact CB-CG 4.32Å; F506-F508 HydrophobicContact CB-CZ 3.42Å; F506-F508 VanDerWaalsContact CB-CZ 3.42Å; F506-F508 HydrophobicContact CD1-CE1 4.09Å; F506-F508 HydrophobicContact CD1-CZ 4.25Å; F506-F508 HydrophobicContact CD2-CE1 4.45Å; F506-F508 HydrophobicContact CD2-CE2 4.45Å; F506-F508 AromaticContact CD2-CZ 3.83Å; F506-F508 HydrophobicContact CD2-CZ 3.83Å; F506-F508 AromaticContact CG-CE1 3.77Å; F506-F508 HydrophobicContact CG-CE1 3.77Å; F506-F508 HydrophobicContact CG-CE2 4.4Å; F506-F508 AromaticContact CG-CZ 3.6Å; F506-F508 HydrophobicContact CG-CZ 3.6Å; F506-F508 PolarHBondContact O-N 3.24Å; F506-F508 VanDerWaalsContact O-N 3.14Å; F508-K510 PolarHBondContact O-N 3Å; F508-F511 WeakPolarHBondContact O-CB 3.41Å; F508-F511 PolarHBondContact O-N 3.45Å; F508-W513 HydrophobicContact CD2-CB 4.08Å; F508-W513 AromaticContact CD2-CD1 3.98Å; F508-W513 AromaticContact CD2-CD2 3.52Å; F508-W513 HydrophobicContact CD2-CD2 3.52Å; F508-W513 AromaticContact CD2-CE2 3.93Å; F508-W513 AromaticContact CD2-CE3 3.88Å; F508-W513 HydrophobicContact CD2-CE3 3.88Å; F508-W513 AromaticContact CD2-CG 3.59Å; F508-W513 HydrophobicContact CD2-CG 3.59Å; F508-W513 AromaticContact CE2-CD2 3.5Å; F508-W513 HydrophobicContact CE2-CD2 3.5Å; F508-W513 VanDerWaalsContact CE2-CD2 3.5Å; F508-W513 AromaticContact CE2-CE2 3.69Å; F508-W513 AromaticContact CE2-CE3 3.53Å; F508-W513 HydrophobicContact CE2-CE3 3.53Å; F508-W513 HydrophobicContact CE2-CG 4.1Å; F508-W513 AromaticContact CE2-CH2 3.95Å; F508-W513 HydrophobicContact CE2-CH2 3.95Å; F508-W513 AromaticContact CE2-CZ2 3.93Å; F508-W513 HydrophobicContact CE2-CZ2 3.93Å; F508-W513 AromaticContact CE2-CZ3 3.76Å; F508-W513 HydrophobicContact CE2-CZ3 3.76Å; F508-W513 HydrophobicContact CZ-CE3 4.45Å; F508-W513 HydrophobicContact CZ-CZ3 4.44Å; F508-L521 HydrophobicContact CB-CD2 4.12Å; F508-L521 HydrophobicContact CD1-CD1 4.19Å; F508-L521 HydrophobicContact CD1-CD2 3.5Å; F508-L521 HydrophobicContact CD2-CD1 4.12Å; F508-L521 HydrophobicContact CE1-CD1 4.35Å; F508-L521 HydrophobicContact CE1-CD2 4.07Å; F508-L521 HydrophobicContact CE2-CD1 4.31Å; F508-L521 HydrophobicContact CG-CD1 4.06Å; F508-L521 HydrophobicContact CG-CD2 3.88Å; F508-L521 HydrophobicContact CZ-CD1 4.42Å; F508-I523 HydrophobicContact CB-CG2 3.88Å; F508-A836 HydrophobicContact CE1-CB 3.46Å; F508-A836 VanDerWaalsContact CE1-CB 3.46Å; F508-A836 HydrophobicContact CZ-CB 3.7Å; F508-L840 HydrophobicContact CZ-CD1 4.41Å |
| 509 | E | 89.2 | Confident | 79.1 | Confident | 40 Ų | 40 | 47.9 Ų | 47.9 | 19% | 0.187 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -63.1 | -17.2 | -177.7 | -70.8 | -179.7 | -119.4 | 0 | 0 | 113.8 | R503 A505 F506 F511 W513 R526 L854 | R503-E509 IonicContact CZ-OE1 3.75Å; R503-E509 IonicContact CZ-OE2 3.61Å; R503-E509 IonicContact NE-OE1 3.15Å; R503-E509 IonicContact NH1-OE2 3.58Å; R503-E509 IonicContact NH2-OE1 3.62Å; R503-E509 PolarHBondContact NH2-OE1 3.39Å; R503-E509 IonicContact NH2-OE2 2.74Å; R503-E509 PolarHBondContact NH2-OE2 3.27Å; A505-E509 WeakPolarHBondContact CA-OE1 3.32Å; F506-E509 HydrophobicContact CB-CG 4.22Å; F506-E509 WeakPolarHBondContact CD2-OE1 3.34Å; F506-E509 PolarHBondContact N-OE1 3.17Å; F506-E509 PolarHBondContact O-N 2.8Å; E509-F511 PolarHBondContact O-N 3.02Å; E509-W513 HydrophobicContact CG-CZ2 4.46Å; E509-R526 PolarHBondContact O-NH2 3.05Å; E509-R526 VanDerWaalsContact O-NH2 3.15Å; E509-L854 HydrophobicContact CG-CD2 4.19Å; E509-L854 VanDerWaalsContact OE2-CD2 3.26Å; E509-L854 WeakPolarHBondContact OE2-CD2 3.5Å |
| 510 | K | 87.7 | Confident | 81.3 | Confident | 82 Ų | 82 | 43.5 Ų | 43.5 | 36% | 0.357 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -71.8 | -18.6 | 174.1 | 72.3 | -165.7 | 178.5 | -171 | 0 | 113.2 | W507 F508 R526 Y538 | W507-K510 VanDerWaalsContact O-CD 3.27Å; W507-K510 WeakPolarHBondContact O-CD 3.37Å; W507-K510 VanDerWaalsContact O-CE 3.24Å; W507-K510 WeakPolarHBondContact O-CE 3.49Å; W507-K510 WeakPolarHBondContact O-CG 3.5Å; F508-K510 PolarHBondContact O-N 3Å; K510-R526 PolarHBondContact O-NH1 3.17Å; K510-Y538 PolarHBondContact NZ-OH 3.03Å |
| 511 | F | 92.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -101.1 | 175.1 | 178.1 | -56.2 | -54.9 | 0 | 0 | 0 | 110.7 | W507 F508 E509 G524 R526 Q530 L533 I534 Y538 | W507-F511 HydrophobicContact CE3-CE2 4.16Å; W507-F511 HydrophobicContact CZ3-CD2 4.22Å; W507-F511 AromaticContact CZ3-CE2 3.91Å; W507-F511 HydrophobicContact CZ3-CE2 3.91Å; F508-F511 WeakPolarHBondContact O-CB 3.41Å; F508-F511 PolarHBondContact O-N 3.45Å; E509-F511 PolarHBondContact O-N 3.02Å; F511-G524 WeakPolarHBondContact CB-O 3.41Å; F511-R526 PolarHBondContact O-NH2 3.15Å; F511-Q530 HydrophobicContact CD1-CB 4.26Å; F511-Q530 HydrophobicContact CD1-CG 4.38Å; F511-Q530 HydrophobicContact CE1-CB 4.1Å; F511-Q530 HydrophobicContact CE1-CG 4.19Å; F511-L533 HydrophobicContact CE1-CD2 4.17Å; F511-L533 HydrophobicContact CZ-CD2 3.96Å; F511-L533 HydrophobicContact CZ-CG 4.43Å; F511-I534 HydrophobicContact CB-CD1 4.19Å; F511-I534 HydrophobicContact CD1-CD1 3.5Å; F511-I534 HydrophobicContact CD1-CG1 3.78Å; F511-I534 HydrophobicContact CD2-CD1 4.17Å; F511-I534 HydrophobicContact CD2-CG1 4.11Å; F511-I534 HydrophobicContact CE1-CD1 3.75Å; F511-I534 HydrophobicContact CE1-CG1 3.48Å; F511-I534 VanDerWaalsContact CE1-CG1 3.48Å; F511-I534 HydrophobicContact CE2-CD1 4.38Å; F511-I534 HydrophobicContact CE2-CG1 3.83Å; F511-I534 HydrophobicContact CG-CD1 3.71Å; F511-I534 HydrophobicContact CG-CG1 4.06Å; F511-I534 HydrophobicContact CZ-CD1 4.16Å; F511-I534 HydrophobicContact CZ-CG1 3.47Å; F511-I534 VanDerWaalsContact CZ-CG1 3.47Å; F511-Y538 HydrophobicContact CE2-CD2 4.16Å; F511-Y538 AromaticContact CE2-CE2 3.77Å; F511-Y538 HydrophobicContact CE2-CE2 3.77Å; F511-Y538 HydrophobicContact CZ-CD2 4.29Å; F511-Y538 AromaticContact CZ-CE2 3.83Å; F511-Y538 HydrophobicContact CZ-CE2 3.83Å |
| 512 | F | 93.9 | Very high | 86 | Confident | 18 Ų | 18 | 34.6 Ų | 34.6 | 8% | 0.079 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 138.1 | 157.7 | -63.7 | -55.5 | 0 | 0 | 0 | 107.9 | I523 G524 R526 M583 F587 R914 | F512-I523 CarbonylContact O-C 3.48Å; F512-I523 VanDerWaalsContact O-CA 3.32Å; F512-I523 WeakPolarHBondContact O-CA 3.08Å; F512-G524 WeakPolarHBondContact CB-O 3.24Å; F512-G524 PolarHBondContact N-O 3.39Å; F512-G524 PolarHBondContact O-N 2.95Å; F512-R526 HydrophobicContact CD1-CG 4.1Å; F512-R526 HydrophobicContact CD2-CB 4.38Å; F512-R526 HydrophobicContact CD2-CG 3.78Å; F512-R526 HydrophobicContact CE1-CG 3.98Å; F512-R526 HydrophobicContact CE2-CB 3.95Å; F512-R526 HydrophobicContact CE2-CG 3.67Å; F512-R526 HydrophobicContact CG-CG 3.99Å; F512-R526 HydrophobicContact CZ-CB 4.19Å; F512-R526 HydrophobicContact CZ-CG 3.75Å; F512-M583 VanDerWaalsContact C-CE 3.48Å; F512-M583 HydrophobicContact CB-CE 3.18Å; F512-M583 HydrophobicContact CG-CE 4.39Å; F512-F587 HydrophobicContact CB-CE2 4.32Å; F512-F587 HydrophobicContact CB-CZ 4.44Å; F512-F587 HydrophobicContact CD1-CD1 4.36Å; F512-F587 AromaticContact CD1-CE1 3.69Å; F512-F587 HydrophobicContact CD1-CE1 3.69Å; F512-F587 HydrophobicContact CD1-CE2 4.37Å; F512-F587 AromaticContact CD1-CZ 3.69Å; F512-F587 HydrophobicContact CD1-CZ 3.69Å; F512-F587 AromaticContact CD2-CD1 3.84Å; F512-F587 HydrophobicContact CD2-CD1 3.84Å; F512-F587 HydrophobicContact CD2-CD2 4.3Å; F512-F587 HydrophobicContact CD2-CE1 4.01Å; F512-F587 HydrophobicContact CD2-CE2 4.45Å; F512-F587 AromaticContact CD2-CG 3.99Å; F512-F587 HydrophobicContact CD2-CG 3.99Å; F512-F587 HydrophobicContact CD2-CZ 4.3Å; F512-F587 HydrophobicContact CE1-CD1 4.05Å; F512-F587 AromaticContact CE1-CE1 3.42Å; F512-F587 HydrophobicContact CE1-CE1 3.42Å; F512-F587 VanDerWaalsContact CE1-CE1 3.42Å; F512-F587 AromaticContact CE1-CZ 3.91Å; F512-F587 HydrophobicContact CE1-CZ 3.91Å; F512-F587 HydrophobicContact CE2-CB 4.45Å; F512-F587 AromaticContact CE2-CD1 3.45Å; F512-F587 HydrophobicContact CE2-CD1 3.45Å; F512-F587 VanDerWaalsContact CE2-CD1 3.45Å; F512-F587 AromaticContact CE2-CE1 3.73Å; F512-F587 HydrophobicContact CE2-CE1 3.73Å; F512-F587 AromaticContact CE2-CG 3.99Å; F512-F587 HydrophobicContact CE2-CG 3.99Å; F512-F587 HydrophobicContact CE2-CZ 4.46Å; F512-F587 HydrophobicContact CG-CD1 4.28Å; F512-F587 HydrophobicContact CG-CD2 4.45Å; F512-F587 AromaticContact CG-CE1 3.99Å; F512-F587 HydrophobicContact CG-CE1 3.99Å; F512-F587 HydrophobicContact CG-CE2 4.17Å; F512-F587 HydrophobicContact CG-CG 4.5Å; F512-F587 AromaticContact CG-CZ 3.92Å; F512-F587 HydrophobicContact CG-CZ 3.92Å; F512-F587 AromaticContact CZ-CD1 3.59Å; F512-F587 HydrophobicContact CZ-CD1 3.59Å; F512-F587 AromaticContact CZ-CE1 3.45Å; F512-F587 HydrophobicContact CZ-CE1 3.45Å; F512-F587 VanDerWaalsContact CZ-CE1 3.45Å; F512-F587 HydrophobicContact CZ-CZ 4.3Å; F512-R914 WeakPolarHBondContact CE1-O 3.38Å |
| 513 | W | 94.1 | Very high | 87.9 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 1% | 0.011 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 153.9 | -178.6 | 70.8 | -83.9 | 0 | 0 | 0 | 111 | F508 E509 I515 L521 V522 I523 M643 L840 L854 V856 | F508-W513 HydrophobicContact CD2-CB 4.08Å; F508-W513 AromaticContact CD2-CD1 3.98Å; F508-W513 AromaticContact CD2-CD2 3.52Å; F508-W513 HydrophobicContact CD2-CD2 3.52Å; F508-W513 AromaticContact CD2-CE2 3.93Å; F508-W513 AromaticContact CD2-CE3 3.88Å; F508-W513 HydrophobicContact CD2-CE3 3.88Å; F508-W513 AromaticContact CD2-CG 3.59Å; F508-W513 HydrophobicContact CD2-CG 3.59Å; F508-W513 AromaticContact CE2-CD2 3.5Å; F508-W513 HydrophobicContact CE2-CD2 3.5Å; F508-W513 VanDerWaalsContact CE2-CD2 3.5Å; F508-W513 AromaticContact CE2-CE2 3.69Å; F508-W513 AromaticContact CE2-CE3 3.53Å; F508-W513 HydrophobicContact CE2-CE3 3.53Å; F508-W513 HydrophobicContact CE2-CG 4.1Å; F508-W513 AromaticContact CE2-CH2 3.95Å; F508-W513 HydrophobicContact CE2-CH2 3.95Å; F508-W513 AromaticContact CE2-CZ2 3.93Å; F508-W513 HydrophobicContact CE2-CZ2 3.93Å; F508-W513 AromaticContact CE2-CZ3 3.76Å; F508-W513 HydrophobicContact CE2-CZ3 3.76Å; F508-W513 HydrophobicContact CZ-CE3 4.45Å; F508-W513 HydrophobicContact CZ-CZ3 4.44Å; E509-W513 HydrophobicContact CG-CZ2 4.46Å; W513-I515 HydrophobicContact CZ3-CD1 4.3Å; W513-I515 HydrophobicContact CZ3-CG1 4.18Å; W513-L521 HydrophobicContact CB-CD1 4.46Å; W513-L521 HydrophobicContact CE3-CD1 4.07Å; W513-V522 CarbonylContact C-O 3.56Å; W513-V522 WeakPolarHBondContact CA-O 3.39Å; W513-I523 HydrophobicContact CB-CG2 4.15Å; W513-M643 HydrophobicContact CH2-SD 4.34Å; W513-M643 HydrophobicContact CZ3-SD 4.35Å; W513-L840 HydrophobicContact CH2-CD1 4.19Å; W513-L840 HydrophobicContact CZ3-CD1 4.42Å; W513-L854 HydrophobicContact CH2-CD1 4.1Å; W513-L854 HydrophobicContact CH2-CD2 4.43Å; W513-L854 HydrophobicContact CZ2-CD1 4.28Å; W513-L854 HydrophobicContact CZ2-CD2 3.78Å; W513-L854 HydrophobicContact CZ2-CG 4.45Å; W513-V856 HydrophobicContact CE3-CG1 4.35Å; W513-V856 HydrophobicContact CH2-CB 4.4Å; W513-V856 HydrophobicContact CH2-CG1 4.25Å; W513-V856 HydrophobicContact CH2-CG2 3.34Å; W513-V856 HydrophobicContact CZ2-CG2 3.62Å; W513-V856 HydrophobicContact CZ3-CG1 4.15Å; W513-V856 HydrophobicContact CZ3-CG2 4Å |
| 514 | F | 94.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 165.3 | 164.6 | 71.2 | -80.8 | 0 | 0 | 0 | 109.3 | V522 E579 M583 V856 P859 A862 | F514-V522 HydrophobicContact CD1-CB 3.93Å; F514-V522 HydrophobicContact CD1-CG1 4.21Å; F514-V522 HydrophobicContact CE1-CB 3.48Å; F514-V522 VanDerWaalsContact CE1-CB 3.48Å; F514-V522 HydrophobicContact CE1-CG1 3.45Å; F514-V522 VanDerWaalsContact CE1-CG1 3.45Å; F514-V522 HydrophobicContact CE1-CG2 4.08Å; F514-V522 HydrophobicContact CE2-CB 4.29Å; F514-V522 HydrophobicContact CE2-CG2 4.11Å; F514-V522 HydrophobicContact CG-CB 4.49Å; F514-V522 HydrophobicContact CZ-CB 3.68Å; F514-V522 HydrophobicContact CZ-CG1 3.84Å; F514-V522 HydrophobicContact CZ-CG2 3.71Å; F514-V522 PolarHBondContact N-O 3.28Å; F514-V522 PolarHBondContact O-N 2.96Å; F514-E579 HydrophobicContact CE2-CB 3.96Å; F514-E579 HydrophobicContact CZ-CB 3.9Å; F514-M583 HydrophobicContact CD1-CE 4.45Å; F514-M583 HydrophobicContact CD1-SD 3.65Å; F514-M583 HydrophobicContact CE1-CB 3.94Å; F514-M583 HydrophobicContact CE1-CG 4.21Å; F514-M583 HydrophobicContact CE1-SD 3.47Å; F514-M583 WeakPolarHBondContact CE1-SD 3.17Å; F514-V856 HydrophobicContact CB-CG1 3.83Å; F514-P859 HydrophobicContact CE1-CG 4.14Å; F514-P859 HydrophobicContact CE2-CG 4.1Å; F514-P859 HydrophobicContact CZ-CG 3.8Å; F514-A862 HydrophobicContact CD2-CB 3.83Å; F514-A862 HydrophobicContact CE2-CB 3.9Å |
| 515 | I | 92.7 | Very high | 90.4 | Very high | 8 Ų | 8 | 20.4 Ų | 20.4 | 4% | 0.041 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 124.2 | 168.9 | -68.4 | 168.8 | 0 | 0 | 0 | 106.6 | W513 L520 M643 L840 | W513-I515 HydrophobicContact CZ3-CD1 4.3Å; W513-I515 HydrophobicContact CZ3-CG1 4.18Å; I515-L520 WeakPolarHBondContact CA-O 3.5Å; I515-M643 HydrophobicContact CD1-CE 3.89Å; I515-M643 HydrophobicContact CD1-SD 4.05Å; I515-L840 HydrophobicContact CD1-CB 4.08Å; I515-L840 HydrophobicContact CD1-CD1 4.11Å |
| 516 | S | 92.5 | Very high | 91 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | trans | -64.3 | 166.1 | 179.7 | 71.1 | 0 | 0 | 0 | 0 | 112 | D518 R519 L520 T576 E579 | S516-D518 PolarHBondContact O-N 3.02Å; S516-D518 PolarHBondContact OG-N 3.48Å; S516-R519 PolarHBondContact O-N 3.39Å; S516-L520 PolarHBondContact N-O 2.82Å; S516-L520 PolarHBondContact OG-N 2.92Å; S516-L520 PolarHBondContact OG-O 2.74Å; S516-T576 VanDerWaalsContact CB-OG1 3.27Å; S516-T576 WeakPolarHBondContact CB-OG1 3.45Å; S516-T576 PolarHBondContact OG-OG1 3.19Å; S516-E579 WeakPolarHBondContact CA-OE2 3.45Å; S516-E579 WeakPolarHBondContact CB-OE2 3.46Å | ||
| 517 | S | 90 | Very high | 91.3 | Very high | 47 Ų | 47 | 22.8 Ų | 22.8 | 33% | 0.329 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -33.8 | 172.9 | 45 | 0 | 0 | 0 | 0 | 112.4 | R519 E579 | S517-R519 VanDerWaalsContact C-N 3.26Å; S517-R519 PolarHBondContact O-N 3.01Å; S517-E579 VanDerWaalsContact CB-OE1 3.27Å; S517-E579 WeakPolarHBondContact CB-OE1 3.42Å; S517-E579 PolarHBondContact N-OE2 2.72Å; S517-E579 VanDerWaalsContact OG-CD 3.31Å; S517-E579 PolarHBondContact OG-OE1 3.33Å; S517-E579 PolarHBondContact OG-OE2 3.19Å |
| 518 | D | 86.4 | Confident | 91.5 | Very high | 58 Ų | 58 | 23.5 Ų | 23.5 | 31% | 0.31 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 13.4 | 177 | -47.7 | -63 | 0 | 0 | 0 | 113.9 | S516 L520 P573 T576 | S516-D518 PolarHBondContact O-N 3.02Å; S516-D518 PolarHBondContact OG-N 3.48Å; D518-L520 PolarHBondContact O-N 2.91Å; D518-P573 HydrophobicContact CB-CB 4.48Å; D518-P573 HydrophobicContact CB-CG 4.04Å; D518-P573 VanDerWaalsContact OD2-CB 3.25Å; D518-P573 WeakPolarHBondContact OD2-CB 3.47Å; D518-T576 WeakPolarHBondContact CB-OG1 3.23Å; D518-T576 PolarHBondContact OD2-N 2.94Å; D518-T576 PolarHBondContact OD2-OG1 3.12Å |
| 519 | R | 87.5 | Confident | 91.6 | Very high | 46 Ų | 46 | 30.5 Ų | 30.5 | 17% | 0.174 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 63.8 | 36.8 | 176.9 | -54.2 | -71.9 | -175.3 | 166.7 | 4.5 | 114.6 | S516 S517 I563 Y654 V837 | S516-R519 PolarHBondContact O-N 3.39Å; S517-R519 VanDerWaalsContact C-N 3.26Å; S517-R519 PolarHBondContact O-N 3.01Å; R519-I563 HydrophobicContact CB-CD1 3.69Å; R519-I563 HydrophobicContact CB-CG1 3.92Å; R519-I563 HydrophobicContact CG-CD1 3.61Å; R519-I563 HydrophobicContact CG-CG1 4.4Å; R519-Y654 PolarHBondContact NH1-OH 3.43Å; R519-Y654 PolarHBondContact NH2-OH 3.01Å; R519-V837 HydrophobicContact CB-CG1 4.15Å; R519-V837 WeakPolarHBondContact O-CG1 3.33Å |
| 520 | L | 89.2 | Confident | 91.7 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 6% | 0.058 | 15% | 0.154 | C | C | . | . | trans | -103.6 | 140.9 | 171.3 | -62.5 | 173 | 0 | 0 | 0 | 110.3 | I515 S516 D518 V522 V558 V572 T576 | I515-L520 WeakPolarHBondContact CA-O 3.5Å; S516-L520 PolarHBondContact N-O 2.82Å; S516-L520 PolarHBondContact OG-N 2.92Å; S516-L520 PolarHBondContact OG-O 2.74Å; D518-L520 PolarHBondContact O-N 2.91Å; L520-V522 PolarHBondContact O-N 2.91Å; L520-V558 HydrophobicContact CB-CG1 4.3Å; L520-V558 HydrophobicContact CD1-CG1 4.25Å; L520-V572 HydrophobicContact CD1-CG1 4.2Å; L520-T576 HydrophobicContact CB-CG2 4.37Å; L520-T576 HydrophobicContact CD1-CG2 4.09Å | ||
| 521 | L | 92.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 121.9 | 174.7 | 178.1 | 67.1 | 0 | 0 | 0 | 109.6 | W507 F508 W513 I523 K559 T833 V837 | W507-L521 HydrophobicContact CZ2-CD2 4.05Å; F508-L521 HydrophobicContact CB-CD2 4.12Å; F508-L521 HydrophobicContact CD1-CD1 4.19Å; F508-L521 HydrophobicContact CD1-CD2 3.5Å; F508-L521 HydrophobicContact CD2-CD1 4.12Å; F508-L521 HydrophobicContact CE1-CD1 4.35Å; F508-L521 HydrophobicContact CE1-CD2 4.07Å; F508-L521 HydrophobicContact CE2-CD1 4.31Å; F508-L521 HydrophobicContact CG-CD1 4.06Å; F508-L521 HydrophobicContact CG-CD2 3.88Å; F508-L521 HydrophobicContact CZ-CD1 4.42Å; W513-L521 HydrophobicContact CB-CD1 4.46Å; W513-L521 HydrophobicContact CE3-CD1 4.07Å; L521-I523 HydrophobicContact CD1-CG2 4.22Å; L521-I523 HydrophobicContact CD2-CG2 4.09Å; L521-I523 HydrophobicContact CG-CG2 3.95Å; L521-K559 HydrophobicContact CB-CB 4.3Å; L521-K559 HydrophobicContact CD2-CG 4.49Å; L521-K559 WeakPolarHBondContact O-CB 3.44Å; L521-K559 PolarHBondContact O-N 3.18Å; L521-T833 HydrophobicContact CB-CG2 3.99Å; L521-T833 HydrophobicContact CD2-CG2 3.63Å; L521-T833 HydrophobicContact CG-CG2 4.45Å; L521-V837 HydrophobicContact CB-CG2 4.3Å |
| 522 | V | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.3 | 173.8 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | W513 F514 L520 V556 I557 V558 T576 A580 M583 | W513-V522 CarbonylContact C-O 3.56Å; W513-V522 WeakPolarHBondContact CA-O 3.39Å; F514-V522 HydrophobicContact CD1-CB 3.93Å; F514-V522 HydrophobicContact CD1-CG1 4.21Å; F514-V522 HydrophobicContact CE1-CB 3.48Å; F514-V522 VanDerWaalsContact CE1-CB 3.48Å; F514-V522 HydrophobicContact CE1-CG1 3.45Å; F514-V522 VanDerWaalsContact CE1-CG1 3.45Å; F514-V522 HydrophobicContact CE1-CG2 4.08Å; F514-V522 HydrophobicContact CE2-CB 4.29Å; F514-V522 HydrophobicContact CE2-CG2 4.11Å; F514-V522 HydrophobicContact CG-CB 4.49Å; F514-V522 HydrophobicContact CZ-CB 3.68Å; F514-V522 HydrophobicContact CZ-CG1 3.84Å; F514-V522 HydrophobicContact CZ-CG2 3.71Å; F514-V522 PolarHBondContact N-O 3.28Å; F514-V522 PolarHBondContact O-N 2.96Å; L520-V522 PolarHBondContact O-N 2.91Å; V522-V556 HydrophobicContact CG1-CG1 3.34Å; V522-I557 WeakPolarHBondContact CA-O 3.34Å; V522-V558 HydrophobicContact CG1-CG2 4.37Å; V522-V558 HydrophobicContact CG2-CG1 4.35Å; V522-V558 HydrophobicContact CG2-CG2 4.19Å; V522-T576 HydrophobicContact CG2-CG2 4.33Å; V522-A580 HydrophobicContact CG1-CB 3.99Å; V522-M583 HydrophobicContact CG1-SD 4.03Å |
| 523 | I | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 148.6 | -179.5 | 62.2 | 173.9 | 0 | 0 | 0 | 111.3 | W507 F508 F512 W513 L521 I534 V556 I557 | W507-I523 HydrophobicContact CH2-CD1 3.82Å; W507-I523 HydrophobicContact CZ3-CD1 4.03Å; F508-I523 HydrophobicContact CB-CG2 3.88Å; F512-I523 CarbonylContact O-C 3.48Å; F512-I523 VanDerWaalsContact O-CA 3.32Å; F512-I523 WeakPolarHBondContact O-CA 3.08Å; W513-I523 HydrophobicContact CB-CG2 4.15Å; L521-I523 HydrophobicContact CD1-CG2 4.22Å; L521-I523 HydrophobicContact CD2-CG2 4.09Å; L521-I523 HydrophobicContact CG-CG2 3.95Å; I523-I534 HydrophobicContact CD1-CG1 4.48Å; I523-I534 HydrophobicContact CD1-CG2 3.9Å; I523-I534 HydrophobicContact CG1-CG2 4.24Å; I523-V556 CarbonylContact O-C 3.59Å; I523-V556 VanDerWaalsContact O-CA 3.24Å; I523-V556 WeakPolarHBondContact O-CA 3.32Å; I523-V556 WeakPolarHBondContact O-CG1 3.4Å; I523-I557 HydrophobicContact CD1-CB 4.45Å; I523-I557 HydrophobicContact CG1-CB 3.96Å; I523-I557 PolarHBondContact N-O 3.17Å; I523-I557 PolarHBondContact O-N 2.91Å |
| 524 | G | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 143.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F511 F512 I534 S555 | F511-G524 WeakPolarHBondContact CB-O 3.41Å; F512-G524 WeakPolarHBondContact CB-O 3.24Å; F512-G524 PolarHBondContact N-O 3.39Å; F512-G524 PolarHBondContact O-N 2.95Å; G524-I534 VanDerWaalsContact C-CD1 3.46Å; G524-S555 WeakPolarHBondContact CA-O 3.39Å |
| 525 | G | 93.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | trans | -74.5 | 142.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N531 T554 S555 | G525-N531 WeakPolarHBondContact CA-OD1 3.18Å; G525-N531 PolarHBondContact N-OD1 3.4Å; G525-T554 PolarHBondContact N-OG1 3.06Å; G525-T554 WeakPolarHBondContact O-CB 3.48Å; G525-T554 PolarHBondContact O-OG1 3.26Å; G525-S555 PolarHBondContact N-O 3.34Å | ||
| 526 | R | 90.9 | Very high | 91.2 | Very high | 56 Ų | 56 | 39.6 Ų | 39.6 | 21% | 0.211 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -82 | -22.5 | 178.8 | -60.5 | -176.2 | 172.1 | 144.7 | -2.8 | 113.5 | E509 K510 F511 F512 Q530 N915 | E509-R526 PolarHBondContact O-NH2 3.05Å; E509-R526 VanDerWaalsContact O-NH2 3.15Å; K510-R526 PolarHBondContact O-NH1 3.17Å; F511-R526 PolarHBondContact O-NH2 3.15Å; F512-R526 HydrophobicContact CD1-CG 4.1Å; F512-R526 HydrophobicContact CD2-CB 4.38Å; F512-R526 HydrophobicContact CD2-CG 3.78Å; F512-R526 HydrophobicContact CE1-CG 3.98Å; F512-R526 HydrophobicContact CE2-CB 3.95Å; F512-R526 HydrophobicContact CE2-CG 3.67Å; F512-R526 HydrophobicContact CG-CG 3.99Å; F512-R526 HydrophobicContact CZ-CB 4.19Å; F512-R526 HydrophobicContact CZ-CG 3.75Å; R526-Q530 VanDerWaalsContact CB-OE1 3.28Å; R526-N915 PolarHBondContact NH2-OD1 2.82Å |
| 527 | D | 91 | Very high | 90.9 | Very high | 75 Ų | 75 | 46.2 Ų | 46.2 | 40% | 0.401 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -146.5 | 173.1 | -179.8 | 60.7 | 46.5 | 0 | 0 | 0 | 110 | Q529 Q530 N531 | D527-Q529 VanDerWaalsContact C-N 3.29Å; D527-Q529 PolarHBondContact O-N 2.92Å; D527-Q529 WeakPolarHBondContact OD1-CB 3.3Å; D527-Q529 PolarHBondContact OD1-N 3.29Å; D527-Q530 PolarHBondContact O-N 2.62Å; D527-Q530 WeakPolarHBondContact OD1-CB 3.5Å; D527-Q530 WeakPolarHBondContact OD1-CG 3.46Å; D527-Q530 PolarHBondContact OD1-N 2.93Å; D527-N531 PolarHBondContact O-N 3.09Å |
| 528 | A | 90.1 | Very high | 90.9 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 36% | 0.355 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.1 | -35.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N531 E532 T619 G620 | A528-N531 PolarHBondContact O-N 3.42Å; A528-E532 PolarHBondContact O-N 2.87Å; A528-T619 HydrophobicContact CB-CG2 4.42Å; A528-T619 WeakPolarHBondContact CB-O 3.39Å; A528-G620 VanDerWaalsContact O-CA 3.3Å; A528-G620 WeakPolarHBondContact O-CA 3.48Å |
| 529 | Q | 91.5 | Very high | 91.1 | Very high | 146 Ų | 146 | 43.4 Ų | 43.4 | 68% | 0.682 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -71.6 | -39.7 | 179.7 | -64.9 | -177.4 | -13.2 | 0 | 0 | 111.2 | D527 E532 L533 T619 | D527-Q529 VanDerWaalsContact C-N 3.29Å; D527-Q529 PolarHBondContact O-N 2.92Å; D527-Q529 WeakPolarHBondContact OD1-CB 3.3Å; D527-Q529 PolarHBondContact OD1-N 3.29Å; Q529-E532 PolarHBondContact O-N 2.95Å; Q529-L533 PolarHBondContact O-N 2.81Å; Q529-T619 HydrophobicContact CG-CG2 4.42Å |
| 530 | Q | 91.5 | Very high | 91 | Very high | 36 Ų | 36 | 44.5 Ų | 44.5 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.8 | -37.5 | 174.3 | -72.1 | -165.7 | -3.2 | 0 | 0 | 111.9 | F511 R526 D527 E532 L533 I534 | F511-Q530 HydrophobicContact CD1-CB 4.26Å; F511-Q530 HydrophobicContact CD1-CG 4.38Å; F511-Q530 HydrophobicContact CE1-CB 4.1Å; F511-Q530 HydrophobicContact CE1-CG 4.19Å; R526-Q530 VanDerWaalsContact CB-OE1 3.28Å; D527-Q530 PolarHBondContact O-N 2.62Å; D527-Q530 WeakPolarHBondContact OD1-CB 3.5Å; D527-Q530 WeakPolarHBondContact OD1-CG 3.46Å; D527-Q530 PolarHBondContact OD1-N 2.93Å; Q530-E532 VanDerWaalsContact C-N 3.31Å; Q530-E532 PolarHBondContact O-N 3.16Å; Q530-L533 PolarHBondContact O-N 3.15Å; Q530-I534 WeakPolarHBondContact O-CB 3.2Å; Q530-I534 VanDerWaalsContact O-CG1 3.26Å; Q530-I534 WeakPolarHBondContact O-CG1 3.38Å; Q530-I534 PolarHBondContact O-N 2.86Å |
| 531 | N | 92.7 | Very high | 90.9 | Very high | 14 Ų | 14 | 49.1 Ų | 49.1 | 8% | 0.075 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.2 | -47.4 | 173 | -72.9 | -14.7 | 0 | 0 | 0 | 110.6 | G525 D527 A528 L533 I534 V535 S555 F622 | G525-N531 WeakPolarHBondContact CA-OD1 3.18Å; G525-N531 PolarHBondContact N-OD1 3.4Å; D527-N531 PolarHBondContact O-N 3.09Å; A528-N531 PolarHBondContact O-N 3.42Å; N531-L533 PolarHBondContact O-N 3.1Å; N531-I534 PolarHBondContact O-N 2.89Å; N531-V535 PolarHBondContact O-N 2.84Å; N531-V535 VanDerWaalsContact O-N 3.1Å; N531-S555 PolarHBondContact OD1-N 3.12Å; N531-F622 HydrophobicContact CB-CE2 4.39Å |
| 532 | E | 90.5 | Very high | 90.5 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 174.4 | -66.3 | -160.3 | 174.2 | 0 | 0 | 113.4 | A528 Q529 Q530 I534 V535 K536 K609 T619 G620 F622 | A528-E532 PolarHBondContact O-N 2.87Å; Q529-E532 PolarHBondContact O-N 2.95Å; Q530-E532 VanDerWaalsContact C-N 3.31Å; Q530-E532 PolarHBondContact O-N 3.16Å; E532-I534 VanDerWaalsContact C-N 3.31Å; E532-I534 PolarHBondContact O-N 2.98Å; E532-V535 PolarHBondContact O-N 3.18Å; E532-K536 WeakPolarHBondContact O-CB 3.44Å; E532-K536 PolarHBondContact O-N 2.92Å; E532-K609 VanDerWaalsContact CD-NZ 3.31Å; E532-K609 IonicContact OE1-NZ 2.91Å; E532-K609 PolarHBondContact OE1-NZ 3.18Å; E532-K609 IonicContact OE2-NZ 3.44Å; E532-K609 PolarHBondContact OE2-NZ 3.45Å; E532-T619 HydrophobicContact CG-CG2 4.35Å; E532-T619 VanDerWaalsContact OE1-CA 3.25Å; E532-T619 WeakPolarHBondContact OE1-CA 3.34Å; E532-T619 WeakPolarHBondContact OE1-CG2 3.39Å; E532-G620 VanDerWaalsContact CG-N 3.34Å; E532-G620 PolarHBondContact OE1-N 3.14Å; E532-F622 HydrophobicContact CG-CZ 4.36Å |
| 533 | L | 90.1 | Very high | 90.3 | Very high | 59 Ų | 59 | 50.6 Ų | 50.6 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 179.2 | -175.8 | 67.9 | 0 | 0 | 0 | 111.5 | F511 Q529 Q530 N531 R537 | F511-L533 HydrophobicContact CE1-CD2 4.17Å; F511-L533 HydrophobicContact CZ-CD2 3.96Å; F511-L533 HydrophobicContact CZ-CG 4.43Å; Q529-L533 PolarHBondContact O-N 2.81Å; Q530-L533 PolarHBondContact O-N 3.15Å; N531-L533 PolarHBondContact O-N 3.1Å; L533-R537 VanDerWaalsContact CD1-CD 3.5Å; L533-R537 HydrophobicContact CD1-CG 3.97Å; L533-R537 WeakPolarHBondContact O-CB 3.35Å; L533-R537 PolarHBondContact O-N 3.47Å |
| 534 | I | 92 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.7 | -51.6 | 179.2 | -73.3 | 171.8 | 0 | 0 | 0 | 110.4 | F511 I523 G524 Q530 N531 E532 Y538 L539 I557 | F511-I534 HydrophobicContact CB-CD1 4.19Å; F511-I534 HydrophobicContact CD1-CD1 3.5Å; F511-I534 HydrophobicContact CD1-CG1 3.78Å; F511-I534 HydrophobicContact CD2-CD1 4.17Å; F511-I534 HydrophobicContact CD2-CG1 4.11Å; F511-I534 HydrophobicContact CE1-CD1 3.75Å; F511-I534 HydrophobicContact CE1-CG1 3.48Å; F511-I534 VanDerWaalsContact CE1-CG1 3.48Å; F511-I534 HydrophobicContact CE2-CD1 4.38Å; F511-I534 HydrophobicContact CE2-CG1 3.83Å; F511-I534 HydrophobicContact CG-CD1 3.71Å; F511-I534 HydrophobicContact CG-CG1 4.06Å; F511-I534 HydrophobicContact CZ-CD1 4.16Å; F511-I534 HydrophobicContact CZ-CG1 3.47Å; F511-I534 VanDerWaalsContact CZ-CG1 3.47Å; I523-I534 HydrophobicContact CD1-CG1 4.48Å; I523-I534 HydrophobicContact CD1-CG2 3.9Å; I523-I534 HydrophobicContact CG1-CG2 4.24Å; G524-I534 VanDerWaalsContact C-CD1 3.46Å; Q530-I534 WeakPolarHBondContact O-CB 3.2Å; Q530-I534 VanDerWaalsContact O-CG1 3.26Å; Q530-I534 WeakPolarHBondContact O-CG1 3.38Å; Q530-I534 PolarHBondContact O-N 2.86Å; N531-I534 PolarHBondContact O-N 2.89Å; E532-I534 VanDerWaalsContact C-N 3.31Å; E532-I534 PolarHBondContact O-N 2.98Å; I534-Y538 WeakPolarHBondContact O-CA 3.28Å; I534-Y538 WeakPolarHBondContact O-CB 3.4Å; I534-Y538 PolarHBondContact O-N 2.78Å; I534-L539 PolarHBondContact O-N 3.15Å; I534-I557 HydrophobicContact CG2-CB 4.39Å; I534-I557 HydrophobicContact CG2-CD1 3.26Å; I534-I557 HydrophobicContact CG2-CG1 3.65Å |
| 535 | V | 91.4 | Very high | 90.3 | Very high | 17 Ų | 17 | 50.9 Ų | 50.9 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.6 | -43.5 | -179.8 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | N531 E532 L539 Y545 V607 F622 | N531-V535 PolarHBondContact O-N 2.84Å; N531-V535 VanDerWaalsContact O-N 3.1Å; E532-V535 PolarHBondContact O-N 3.18Å; V535-L539 HydrophobicContact CG1-CD2 3.97Å; V535-L539 VanDerWaalsContact O-CB 3.25Å; V535-L539 WeakPolarHBondContact O-CB 3.44Å; V535-Y545 HydrophobicContact CG2-CD2 4.06Å; V535-Y545 HydrophobicContact CG2-CE2 3.62Å; V535-V607 HydrophobicContact CG1-CG1 3.8Å; V535-F622 HydrophobicContact CB-CD1 4.26Å; V535-F622 HydrophobicContact CB-CE1 3.52Å; V535-F622 HydrophobicContact CB-CE2 4.31Å; V535-F622 HydrophobicContact CB-CZ 3.54Å; V535-F622 HydrophobicContact CG1-CD1 3.85Å; V535-F622 HydrophobicContact CG1-CE1 3.56Å; V535-F622 HydrophobicContact CG1-CZ 4.08Å; V535-F622 HydrophobicContact CG2-CD1 4.38Å; V535-F622 HydrophobicContact CG2-CD2 4.25Å; V535-F622 HydrophobicContact CG2-CE1 3.8Å; V535-F622 HydrophobicContact CG2-CE2 3.66Å; V535-F622 HydrophobicContact CG2-CZ 3.39Å |
| 536 | K | 87.8 | Confident | 90.5 | Very high | 177 Ų | 177 | 50.8 Ų | 50.8 | 77% | 0.77 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -71.1 | -38.8 | -176.2 | -174 | 175 | 178.7 | 178.1 | 0 | 113.4 | E532 | E532-K536 WeakPolarHBondContact O-CB 3.44Å; E532-K536 PolarHBondContact O-N 2.92Å |
| 537 | R | 86.8 | Confident | 90.7 | Very high | 143 Ų | 143 | 49.9 Ų | 49.9 | 54% | 0.54 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -99.7 | -35.1 | -173.6 | -65.5 | -165.8 | -176.9 | -146.8 | -1.8 | 114.1 | L533 K540 | L533-R537 VanDerWaalsContact CD1-CD 3.5Å; L533-R537 HydrophobicContact CD1-CG 3.97Å; L533-R537 WeakPolarHBondContact O-CB 3.35Å; L533-R537 PolarHBondContact O-N 3.47Å; R537-K540 VanDerWaalsContact O-CE 3.29Å; R537-K540 WeakPolarHBondContact O-CE 3.34Å; R537-K540 PolarHBondContact O-NZ 3.14Å |
| 538 | Y | 89.3 | Confident | 90.8 | Very high | 23 Ų | 23 | 46.4 Ų | 46.4 | 9% | 0.09 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -112.7 | -16.9 | -165 | -60.7 | -76 | 0 | 0 | 0 | 114.8 | W507 K510 F511 I534 K540 K559 V829 | W507-Y538 HydrophobicContact CD2-CE1 4Å; W507-Y538 AromaticContact CE3-CD1 3.85Å; W507-Y538 HydrophobicContact CE3-CD1 3.85Å; W507-Y538 AromaticContact CE3-CE1 3.34Å; W507-Y538 HydrophobicContact CE3-CE1 3.34Å; W507-Y538 HydrophobicContact CE3-CE2 4.32Å; W507-Y538 AromaticContact CE3-CZ 3.59Å; W507-Y538 AromaticContact CH2-CD1 3.48Å; W507-Y538 HydrophobicContact CH2-CD1 3.48Å; W507-Y538 VanDerWaalsContact CH2-CD1 3.48Å; W507-Y538 AromaticContact CH2-CE1 3.89Å; W507-Y538 HydrophobicContact CH2-CE1 3.89Å; W507-Y538 AromaticContact CH2-CG 3.98Å; W507-Y538 HydrophobicContact CH2-CG 3.98Å; W507-Y538 HydrophobicContact CZ2-CD1 4.25Å; W507-Y538 HydrophobicContact CZ2-CE1 4.48Å; W507-Y538 AromaticContact CZ3-CD1 3.26Å; W507-Y538 HydrophobicContact CZ3-CD1 3.26Å; W507-Y538 HydrophobicContact CZ3-CD2 4.07Å; W507-Y538 AromaticContact CZ3-CE1 3.28Å; W507-Y538 HydrophobicContact CZ3-CE1 3.28Å; W507-Y538 HydrophobicContact CZ3-CE2 4.06Å; W507-Y538 AromaticContact CZ3-CG 3.67Å; W507-Y538 HydrophobicContact CZ3-CG 3.67Å; W507-Y538 AromaticContact CZ3-CZ 3.67Å; K510-Y538 PolarHBondContact NZ-OH 3.03Å; F511-Y538 HydrophobicContact CE2-CD2 4.16Å; F511-Y538 AromaticContact CE2-CE2 3.77Å; F511-Y538 HydrophobicContact CE2-CE2 3.77Å; F511-Y538 HydrophobicContact CZ-CD2 4.29Å; F511-Y538 AromaticContact CZ-CE2 3.83Å; F511-Y538 HydrophobicContact CZ-CE2 3.83Å; I534-Y538 WeakPolarHBondContact O-CA 3.28Å; I534-Y538 WeakPolarHBondContact O-CB 3.4Å; I534-Y538 PolarHBondContact O-N 2.78Å; Y538-K540 PolarHBondContact O-N 3.24Å; Y538-K559 PolarHBondContact O-NZ 3.39Å; Y538-K559 VanDerWaalsContact O-NZ 3.08Å; Y538-V829 HydrophobicContact CD1-CG1 4.06Å; Y538-V829 HydrophobicContact CE1-CG1 4.25Å; Y538-V829 HydrophobicContact CE1-CG2 4.28Å |
| 539 | L | 90.4 | Very high | 90.9 | Very high | 23 Ų | 23 | 48.9 Ų | 48.9 | 12% | 0.12 | 24% | 0.241 | C | C | . | . | trans | -74.2 | 106.1 | 171.4 | -168.5 | 63.8 | 0 | 0 | 0 | 109.4 | I534 V535 D543 I557 H604 V607 | I534-L539 PolarHBondContact O-N 3.15Å; V535-L539 HydrophobicContact CG1-CD2 3.97Å; V535-L539 VanDerWaalsContact O-CB 3.25Å; V535-L539 WeakPolarHBondContact O-CB 3.44Å; L539-D543 HydrophobicContact CD1-CB 3.9Å; L539-I557 HydrophobicContact CB-CD1 3.55Å; L539-I557 HydrophobicContact CD1-CD1 3.71Å; L539-I557 HydrophobicContact CD1-CG1 4.03Å; L539-I557 HydrophobicContact CD1-CG2 3.94Å; L539-I557 HydrophobicContact CG-CD1 4.14Å; L539-H604 HydrophobicContact CD1-CB 4.12Å; L539-H604 HydrophobicContact CD2-CB 4.27Å; L539-H604 HydrophobicContact CG-CB 3.86Å; L539-V607 HydrophobicContact CD2-CB 3.99Å; L539-V607 HydrophobicContact CD2-CG1 4.37Å; L539-V607 HydrophobicContact CD2-CG2 4.06Å | ||
| 540 | K | 87.1 | Confident | 90.9 | Very high | 68 Ų | 68 | 44.1 Ų | 44.1 | 30% | 0.296 | 22% | 0.22 | S | C | . | . | trans | -112.3 | 165.2 | -178.6 | -62.4 | -61.4 | -176.7 | -178.9 | 0 | 111.2 | R537 Y538 G542 D543 H604 | R537-K540 VanDerWaalsContact O-CE 3.29Å; R537-K540 WeakPolarHBondContact O-CE 3.34Å; R537-K540 PolarHBondContact O-NZ 3.14Å; Y538-K540 PolarHBondContact O-N 3.24Å; K540-G542 PolarHBondContact O-N 3.43Å; K540-D543 PolarHBondContact N-OD2 3.38Å; K540-D543 WeakPolarHBondContact O-CB 3.31Å; K540-D543 PolarHBondContact O-N 2.86Å; K540-H604 WeakPolarHBondContact O-CB 3.47Å | ||
| 541 | P | 85.8 | Confident | 90.9 | Very high | 108 Ų | 108 | 53 Ų | 53 | 70% | 0.701 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 129.5 | 172.1 | -27.3 | 36.1 | 0 | 0 | 0 | 112.3 | H604 | P541-H604 WeakPolarHBondContact CA-NE2 3.17Š|
| 542 | G | 84.8 | Confident | 90.7 | Very high | 27 Ų | 27 | 55.8 Ų | 55.8 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | -35.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K540 R560 H604 | K540-G542 PolarHBondContact O-N 3.43Å; G542-R560 VanDerWaalsContact O-CD 3.24Å; G542-R560 WeakPolarHBondContact O-CD 3.47Å; G542-R560 PolarHBondContact O-NE 2.86Å; G542-R560 PolarHBondContact O-NH2 3.26Å; G542-H604 PolarHBondContact N-CD2 2.91Å |
| 543 | D | 90.9 | Very high | 90.8 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | trans | -62.9 | 153.4 | -179.1 | -63.5 | -31.7 | 0 | 0 | 0 | 112.2 | L539 K540 I557 K559 R560 H604 | L539-D543 HydrophobicContact CD1-CB 3.9Å; K540-D543 PolarHBondContact N-OD2 3.38Å; K540-D543 WeakPolarHBondContact O-CB 3.31Å; K540-D543 PolarHBondContact O-N 2.86Å; D543-I557 HydrophobicContact CB-CG2 3.96Å; D543-K559 WeakPolarHBondContact OD1-CA 3.45Å; D543-K559 IonicContact OD1-NZ 3.58Å; D543-K559 WeakPolarHBondContact OD2-CD 3.39Å; D543-K559 IonicContact OD2-NZ 3.6Å; D543-K559 PolarHBondContact OD2-NZ 2.89Å; D543-R560 PolarHBondContact OD1-N 2.72Å; D543-R560 VanDerWaalsContact OD1-N 3.1Å; D543-H604 PolarHBondContact O-N 2.92Å | ||
| 544 | I | 93.3 | Very high | 91 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.7 | 177.8 | -63.2 | -172.4 | 0 | 0 | 0 | 109.9 | V546 I557 V558 V572 L577 W601 | I544-V546 HydrophobicContact CG2-CG2 4.04Å; I544-I557 WeakPolarHBondContact O-CA 3.32Å; I544-V558 HydrophobicContact CB-CB 4.42Å; I544-V558 PolarHBondContact N-O 3.41Å; I544-V558 PolarHBondContact O-N 2.86Å; I544-V572 HydrophobicContact CD1-CB 3.58Å; I544-V572 HydrophobicContact CD1-CG1 4.38Å; I544-V572 HydrophobicContact CD1-CG2 3.32Å; I544-V572 HydrophobicContact CG1-CG2 3.94Å; I544-L577 HydrophobicContact CD1-CD2 4.08Å; I544-L577 HydrophobicContact CG2-CD2 3.96Å; I544-W601 HydrophobicContact CD1-CE3 4.25Å; I544-W601 HydrophobicContact CD1-CZ3 4.3Å; I544-W601 HydrophobicContact CG2-CB 3.85Å; I544-W601 HydrophobicContact CG2-CD2 4.2Å; I544-W601 HydrophobicContact CG2-CE3 3.76Å; I544-W601 HydrophobicContact CG2-CG 4.28Å |
| 545 | Y | 95.7 | Very high | 91.1 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 129.8 | 173.3 | -179.4 | -95.1 | 0 | 0 | 0 | 110.2 | V535 H547 S555 I557 W600 W601 V602 V607 F622 I624 | V535-Y545 HydrophobicContact CG2-CD2 4.06Å; V535-Y545 HydrophobicContact CG2-CE2 3.62Å; Y545-H547 HydrophobicContact CE1-CB 3.79Å; Y545-H547 PolarHBondContact OH-CD2 2.93Å; Y545-S555 PolarHBondContact OH-OG 3.32Å; Y545-I557 HydrophobicContact CD2-CG1 4.36Å; Y545-W600 HydrophobicContact CD1-CH2 4.44Å; Y545-W600 HydrophobicContact CD1-CZ3 4.06Å; Y545-W600 AromaticContact CE1-CH2 3.91Å; Y545-W600 HydrophobicContact CE1-CH2 3.91Å; Y545-W600 AromaticContact CE1-CZ3 3.99Å; Y545-W600 HydrophobicContact CE1-CZ3 3.99Å; Y545-W601 CarbonylContact O-C 3.6Å; Y545-W601 WeakPolarHBondContact O-CA 3.38Å; Y545-W601 WeakPolarHBondContact O-CB 3.12Å; Y545-V602 HydrophobicContact CD1-CG2 3.88Å; Y545-V602 HydrophobicContact CG-CG2 4.45Å; Y545-V602 PolarHBondContact N-O 3.15Å; Y545-V602 PolarHBondContact O-N 3.04Å; Y545-V607 HydrophobicContact CD1-CG2 3.83Å; Y545-V607 HydrophobicContact CD2-CG2 4.28Å; Y545-V607 HydrophobicContact CG-CG2 3.67Å; Y545-F622 HydrophobicContact CE2-CD2 4.48Å; Y545-F622 WeakPolarHBondContact OH-CD2 3.4Å; Y545-I624 HydrophobicContact CD1-CD1 4.22Å; Y545-I624 HydrophobicContact CE1-CD1 3.96Å |
| 546 | V | 96 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.6 | -178.9 | -171.7 | 0 | 0 | 0 | 0 | 109.5 | I544 V556 V558 L577 A580 A581 W601 | I544-V546 HydrophobicContact CG2-CG2 4.04Å; V546-V556 HydrophobicContact CB-CB 4.19Å; V546-V556 PolarHBondContact N-O 3.14Å; V546-V556 WeakPolarHBondContact O-CB 3.28Å; V546-V556 PolarHBondContact O-N 2.94Å; V546-V558 HydrophobicContact CG2-CG2 4.18Å; V546-L577 HydrophobicContact CG2-CD2 4.5Å; V546-A580 HydrophobicContact CB-CB 4.34Å; V546-A580 HydrophobicContact CG1-CB 4.37Å; V546-A580 HydrophobicContact CG2-CB 3.98Å; V546-A581 HydrophobicContact CG1-CB 4.36Å; V546-W601 HydrophobicContact CB-CB 4.48Å; V546-W601 HydrophobicContact CG2-CB 3.88Å |
| 547 | H | 95.2 | Very high | 91.7 | Very high | 37 Ų | 37 | 42.3 Ų | 42.3 | 17% | 0.171 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 149.4 | 179.4 | -166.2 | -85.6 | 0 | 0 | 0 | 111 | Y545 A599 W600 | Y545-H547 HydrophobicContact CE1-CB 3.79Å; Y545-H547 PolarHBondContact OH-CD2 2.93Å; H547-A599 WeakPolarHBondContact O-CA 3.4Å; H547-W600 HydrophobicContact CB-CH2 3.58Å; H547-W600 HydrophobicContact CB-CZ2 3.63Å; H547-W600 HydrophobicContact CB-CZ3 4.09Å; H547-W600 AromaticContact CG-CZ2 3.98Å; H547-W600 PolarHBondContact N-O 3.26Å; H547-W600 AromaticContact ND1-CZ2 3.85Å; H547-W600 PolarHBondContact O-N 2.9Å |
| 548 | A | 94.4 | Very high | 92 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 145.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I550 A553 A584 V585 | A548-I550 HydrophobicContact CB-CG2 3.84Å; A548-I550 PolarHBondContact O-N 3.42Å; A548-A553 HydrophobicContact CB-CB 3.84Å; A548-A584 HydrophobicContact CB-CB 4.12Å; A548-V585 HydrophobicContact CB-CB 4.4Å; A548-V585 HydrophobicContact CB-CG2 3.69Å |
| 549 | D | 92.5 | Very high | 92.1 | Very high | 96 Ų | 96 | 34.5 Ų | 34.5 | 51% | 0.513 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -81.8 | 59.7 | 178 | -160.9 | 20.7 | 0 | 0 | 0 | 110.9 | S597 N598 | D549-S597 PolarHBondContact O-OG 3.46Å; D549-S597 VanDerWaalsContact O-OG 3.12Å; D549-N598 PolarHBondContact N-O 3Å |
| 550 | I | 91.2 | Very high | 91.8 | Very high | 45 Ų | 45 | 35 Ų | 35 | 23% | 0.231 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -153.8 | 150.6 | -179.1 | -172.8 | 153.7 | 0 | 0 | 0 | 110.9 | A548 A553 S588 A589 A590 | A548-I550 HydrophobicContact CB-CG2 3.84Å; A548-I550 PolarHBondContact O-N 3.42Å; I550-A553 HydrophobicContact CG2-CB 4.15Å; I550-A553 WeakPolarHBondContact O-CB 3.34Å; I550-A553 PolarHBondContact O-N 3.48Å; I550-S588 VanDerWaalsContact CG2-OG 3.24Å; I550-S588 WeakPolarHBondContact CG2-OG 3.34Å; I550-A589 HydrophobicContact CG1-CB 4.45Å; I550-A590 HydrophobicContact CD1-CB 3.88Å |
| 551 | R | 90.2 | Very high | 91 | Very high | 224 Ų | 224 | 33.2 Ų | 33.2 | 85% | 0.845 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | 139.9 | 179.3 | -66.6 | -176.9 | 179.9 | 169.8 | 0.1 | 111.6 | A553 A589 | R551-A553 PolarHBondContact O-N 3.12Å; R551-A589 VanDerWaalsContact O-CB 3.3Å; R551-A589 WeakPolarHBondContact O-CB 3.35Å; R551-A589 PolarHBondContact O-N 2.84Å |
| 552 | G | 88.9 | Confident | 89.9 | Confident | 71 Ų | 71 | 28.4 Ų | 28.4 | 73% | 0.732 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 15.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S588 | G552-S588 WeakPolarHBondContact O-CA 3.4Š|
| 553 | A | 92.8 | Very high | 88.7 | Confident | 6 Ų | 6 | 28.4 Ų | 28.4 | 5% | 0.05 | 15% | 0.149 | C | C | . | . | trans | -64 | 141.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A548 I550 R551 S588 | A548-A553 HydrophobicContact CB-CB 3.84Å; I550-A553 HydrophobicContact CG2-CB 4.15Å; I550-A553 WeakPolarHBondContact O-CB 3.34Å; I550-A553 PolarHBondContact O-N 3.48Å; R551-A553 PolarHBondContact O-N 3.12Å; A553-S588 VanDerWaalsContact CA-CB 3.45Å | ||
| 554 | T | 93.8 | Very high | 87.2 | Confident | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | trans | -71.3 | 143 | 172.8 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | G525 V556 F587 | G525-T554 PolarHBondContact N-OG1 3.06Å; G525-T554 WeakPolarHBondContact O-CB 3.48Å; G525-T554 PolarHBondContact O-OG1 3.26Å; T554-V556 HydrophobicContact CG2-CG2 3.69Å; T554-V556 PolarHBondContact O-N 3.22Å; T554-F587 HydrophobicContact CG2-CB 3.53Å; T554-F587 HydrophobicContact CG2-CG 4.47Å; T554-F587 PolarHBondContact N-O 2.62Å; T554-F587 VanDerWaalsContact N-O 3.12Å | ||
| 555 | S | 94.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -79.7 | 113.2 | 170.4 | -74 | 0 | 0 | 0 | 0 | 109.2 | G524 G525 N531 Y545 F622 | G524-S555 WeakPolarHBondContact CA-O 3.39Å; G525-S555 PolarHBondContact N-O 3.34Å; N531-S555 PolarHBondContact OD1-N 3.12Å; Y545-S555 PolarHBondContact OH-OG 3.32Å; S555-F622 WeakPolarHBondContact OG-CE2 3.45Å | ||
| 556 | V | 96.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 136.4 | -176.5 | -178 | 0 | 0 | 0 | 0 | 110.3 | V522 I523 V546 T554 A580 M583 A584 | V522-V556 HydrophobicContact CG1-CG1 3.34Å; I523-V556 CarbonylContact O-C 3.59Å; I523-V556 VanDerWaalsContact O-CA 3.24Å; I523-V556 WeakPolarHBondContact O-CA 3.32Å; I523-V556 WeakPolarHBondContact O-CG1 3.4Å; V546-V556 HydrophobicContact CB-CB 4.19Å; V546-V556 PolarHBondContact N-O 3.14Å; V546-V556 WeakPolarHBondContact O-CB 3.28Å; V546-V556 PolarHBondContact O-N 2.94Å; T554-V556 HydrophobicContact CG2-CG2 3.69Å; T554-V556 PolarHBondContact O-N 3.22Å; V556-A580 HydrophobicContact CG1-CB 4.05Å; V556-M583 HydrophobicContact CG1-SD 4.21Å; V556-M583 HydrophobicContact CG2-CG 4.4Å; V556-M583 HydrophobicContact CG2-SD 4.27Å; V556-A584 HydrophobicContact CG2-CB 3.77Å |
| 557 | I | 95.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.7 | 172 | -59.7 | -173.8 | 0 | 0 | 0 | 108.9 | V522 I523 I534 L539 D543 I544 Y545 K559 | V522-I557 WeakPolarHBondContact CA-O 3.34Å; I523-I557 HydrophobicContact CD1-CB 4.45Å; I523-I557 HydrophobicContact CG1-CB 3.96Å; I523-I557 PolarHBondContact N-O 3.17Å; I523-I557 PolarHBondContact O-N 2.91Å; I534-I557 HydrophobicContact CG2-CB 4.39Å; I534-I557 HydrophobicContact CG2-CD1 3.26Å; I534-I557 HydrophobicContact CG2-CG1 3.65Å; L539-I557 HydrophobicContact CB-CD1 3.55Å; L539-I557 HydrophobicContact CD1-CD1 3.71Å; L539-I557 HydrophobicContact CD1-CG1 4.03Å; L539-I557 HydrophobicContact CD1-CG2 3.94Å; L539-I557 HydrophobicContact CG-CD1 4.14Å; D543-I557 HydrophobicContact CB-CG2 3.96Å; I544-I557 WeakPolarHBondContact O-CA 3.32Å; Y545-I557 HydrophobicContact CD2-CG1 4.36Å; I557-K559 HydrophobicContact CG2-CD 4.17Å |
| 558 | V | 94.4 | Very high | 80.2 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 112.6 | 167.3 | -176 | 0 | 0 | 0 | 0 | 108 | L520 V522 I544 V546 V572 T576 A580 | L520-V558 HydrophobicContact CB-CG1 4.3Å; L520-V558 HydrophobicContact CD1-CG1 4.25Å; V522-V558 HydrophobicContact CG1-CG2 4.37Å; V522-V558 HydrophobicContact CG2-CG1 4.35Å; V522-V558 HydrophobicContact CG2-CG2 4.19Å; I544-V558 HydrophobicContact CB-CB 4.42Å; I544-V558 PolarHBondContact N-O 3.41Å; I544-V558 PolarHBondContact O-N 2.86Å; V546-V558 HydrophobicContact CG2-CG2 4.18Å; V558-V572 HydrophobicContact CG1-CG1 4.15Å; V558-T576 HydrophobicContact CG1-CG2 3.7Å; V558-T576 HydrophobicContact CG2-CG2 4.42Å; V558-A580 HydrophobicContact CG2-CB 3.66Å |
| 559 | K | 90.5 | Very high | 78.6 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | trans | -77 | 131.4 | 176.1 | -65.8 | -65 | -64.2 | 167.2 | 0 | 109.7 | L521 Y538 D543 I557 E561 | L521-K559 HydrophobicContact CB-CB 4.3Å; L521-K559 HydrophobicContact CD2-CG 4.49Å; L521-K559 WeakPolarHBondContact O-CB 3.44Å; L521-K559 PolarHBondContact O-N 3.18Å; Y538-K559 PolarHBondContact O-NZ 3.39Å; Y538-K559 VanDerWaalsContact O-NZ 3.08Å; D543-K559 WeakPolarHBondContact OD1-CA 3.45Å; D543-K559 IonicContact OD1-NZ 3.58Å; D543-K559 WeakPolarHBondContact OD2-CD 3.39Å; D543-K559 IonicContact OD2-NZ 3.6Å; D543-K559 PolarHBondContact OD2-NZ 2.89Å; I557-K559 HydrophobicContact CG2-CD 4.17Å; K559-E561 VanDerWaalsContact C-N 3.26Å; K559-E561 IonicContact NZ-OE1 3.59Å; K559-E561 PolarHBondContact O-N 3.31Å | ||
| 560 | R | 83.4 | Confident | 77.5 | Confident | 33 Ų | 33 | 52 Ų | 52 | 13% | 0.125 | 28% | 0.283 | C | S | . | . | trans | -80.2 | -2.5 | 177.7 | -74.6 | -157.3 | -170.5 | -156.7 | 10.8 | 115.3 | G542 D543 G562 G570 V572 | G542-R560 VanDerWaalsContact O-CD 3.24Å; G542-R560 WeakPolarHBondContact O-CD 3.47Å; G542-R560 PolarHBondContact O-NE 2.86Å; G542-R560 PolarHBondContact O-NH2 3.26Å; D543-R560 PolarHBondContact OD1-N 2.72Å; D543-R560 VanDerWaalsContact OD1-N 3.1Å; R560-G562 PolarHBondContact O-N 3.32Å; R560-G570 PolarHBondContact NH1-O 3.32Å; R560-V572 HydrophobicContact CG-CG2 4.24Å | ||
| 561 | E | 70.7 | Confident | 77 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 15% | 0.145 | 31% | 0.309 | C | S | . | . | trans | -73.5 | 93.3 | 171.5 | -67.8 | 147.1 | -166.5 | 0 | 0 | 108.9 | K559 A830 T833 | K559-E561 VanDerWaalsContact C-N 3.26Å; K559-E561 IonicContact NZ-OE1 3.59Å; K559-E561 PolarHBondContact O-N 3.31Å; E561-A830 HydrophobicContact CG-CB 4.23Å; E561-A830 WeakPolarHBondContact OE1-CA 3.28Å; E561-A830 WeakPolarHBondContact OE1-CB 3.49Å; E561-A830 WeakPolarHBondContact OE2-CA 3.24Å; E561-T833 HydrophobicContact CB-CG2 3.97Å; E561-T833 WeakPolarHBondContact OE2-CB 3.2Å; E561-T833 WeakPolarHBondContact OE2-CG2 3.4Å; E561-T833 PolarHBondContact OE2-OG1 3Å | ||
| 562 | G | 63 | Low | 76.7 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 7% | 0.072 | 27% | 0.273 | C | S | . | . | trans | -110 | -177.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R560 D564 L834 | R560-G562 PolarHBondContact O-N 3.32Å; G562-D564 PolarHBondContact O-N 3.13Å; G562-L834 WeakPolarHBondContact O-CD1 3.4Å | ||
| 563 | I | 59 | Low | 76.7 | Confident | 28 Ų | 28 | 44.4 Ų | 44.4 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -57.1 | -36.6 | 177.5 | -61.5 | -179.2 | 0 | 0 | 0 | 111.7 | R519 L655 L658 V837 | R519-I563 HydrophobicContact CB-CD1 3.69Å; R519-I563 HydrophobicContact CB-CG1 3.92Å; R519-I563 HydrophobicContact CG-CD1 3.61Å; R519-I563 HydrophobicContact CG-CG1 4.4Å; I563-L655 HydrophobicContact CD1-CD2 4.45Å; I563-L655 HydrophobicContact CG2-CD2 4.04Å; I563-L658 HydrophobicContact CD1-CD1 3.73Å; I563-V837 HydrophobicContact CD1-CG1 4.4Å; I563-V837 HydrophobicContact CG1-CG1 3.58Å |
| 564 | D | 58.9 | Low | 76.7 | Confident | 58 Ų | 58 | 48.9 Ų | 48.9 | 31% | 0.31 | 28% | 0.28 | S | S | . | . | trans | -97.6 | 117.8 | -174.7 | -164.6 | -24.2 | 0 | 0 | 0 | 110.7 | G562 S566 A567 | G562-D564 PolarHBondContact O-N 3.13Å; D564-S566 PolarHBondContact O-N 3.08Å; D564-S566 VanDerWaalsContact O-N 3.17Å; D564-S566 VanDerWaalsContact OD1-CB 3.27Å; D564-S566 WeakPolarHBondContact OD1-CB 3.36Å; D564-S566 PolarHBondContact OD1-N 2.87Å; D564-S566 PolarHBondContact OD1-OG 3.48Å; D564-S566 PolarHBondContact OD2-OG 3.31Å; D564-A567 HydrophobicContact CB-CB 4.44Å; D564-A567 VanDerWaalsContact O-CB 3.27Å; D564-A567 WeakPolarHBondContact O-CB 3.13Å; D564-A567 PolarHBondContact O-N 3.33Å | ||
| 565 | P | 59.4 | Low | 76.5 | Confident | 99 Ų | 99 | 55.5 Ų | 55.5 | 64% | 0.643 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -56.2 | -28.1 | 173.5 | -22.4 | 32.7 | 0 | 0 | 0 | 113 | A567 R568 | P565-A567 VanDerWaalsContact C-N 3.25Å; P565-A567 PolarHBondContact O-N 3.48Å; P565-R568 WeakPolarHBondContact O-CB 3.41Å; P565-R568 WeakPolarHBondContact O-CG 3.26Å; P565-R568 PolarHBondContact O-N 2.95Å |
| 566 | S | 57.1 | Low | 76.4 | Confident | 76 Ų | 76 | 55.5 Ų | 55.5 | 53% | 0.531 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -68.3 | -24.3 | 178.6 | 72.4 | 0 | 0 | 0 | 0 | 112.9 | D564 R568 Q569 | D564-S566 PolarHBondContact O-N 3.08Å; D564-S566 VanDerWaalsContact O-N 3.17Å; D564-S566 VanDerWaalsContact OD1-CB 3.27Å; D564-S566 WeakPolarHBondContact OD1-CB 3.36Å; D564-S566 PolarHBondContact OD1-N 2.87Å; D564-S566 PolarHBondContact OD1-OG 3.48Å; D564-S566 PolarHBondContact OD2-OG 3.31Å; S566-R568 PolarHBondContact O-N 2.81Å; S566-R568 VanDerWaalsContact O-N 3.07Å; S566-Q569 PolarHBondContact O-N 3.27Å |
| 567 | A | 57.3 | Low | 76.3 | Confident | 39 Ų | 39 | 56.1 Ų | 56.1 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -63.6 | -14.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | D564 P565 Q569 | D564-A567 HydrophobicContact CB-CB 4.44Å; D564-A567 VanDerWaalsContact O-CB 3.27Å; D564-A567 WeakPolarHBondContact O-CB 3.13Å; D564-A567 PolarHBondContact O-N 3.33Å; P565-A567 VanDerWaalsContact C-N 3.25Å; P565-A567 PolarHBondContact O-N 3.48Å; A567-Q569 PolarHBondContact O-N 3.09Å |
| 568 | R | 60.7 | Low | 76.3 | Confident | 153 Ų | 153 | 59 Ų | 59 | 58% | 0.577 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -62.2 | -25.6 | 172.5 | -69.5 | -177.7 | 174.7 | 179.4 | -1.1 | 112.7 | P565 S566 | P565-R568 WeakPolarHBondContact O-CB 3.41Å; P565-R568 WeakPolarHBondContact O-CG 3.26Å; P565-R568 PolarHBondContact O-N 2.95Å; S566-R568 PolarHBondContact O-N 2.81Å; S566-R568 VanDerWaalsContact O-N 3.07Å |
| 569 | Q | 60.7 | Low | 76.4 | Confident | 189 Ų | 189 | 59.6 Ų | 59.6 | 88% | 0.883 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -18.8 | -174.6 | -62.5 | -175.6 | 4.5 | 0 | 0 | 114.1 | S566 A567 | S566-Q569 PolarHBondContact O-N 3.27Å; A567-Q569 PolarHBondContact O-N 3.09Å |
| 570 | G | 68 | Low | 76.6 | Confident | 28 Ų | 28 | 59.5 Ų | 59.5 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -87.5 | 161.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R560 | R560-G570 PolarHBondContact NH1-O 3.32Š|
| 571 | P | 81.4 | Confident | 77.2 | Confident | 122 Ų | 122 | 58 Ų | 58 | 79% | 0.792 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -64 | 147.1 | 174.7 | 28.1 | -34.1 | 0 | 0 | 0 | 111.6 | ||
| 572 | V | 85.1 | Confident | 78.4 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 9% | 0.085 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -66 | 131.1 | 175.7 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | L520 I544 V558 R560 T576 L577 | L520-V572 HydrophobicContact CD1-CG1 4.2Å; I544-V572 HydrophobicContact CD1-CB 3.58Å; I544-V572 HydrophobicContact CD1-CG1 4.38Å; I544-V572 HydrophobicContact CD1-CG2 3.32Å; I544-V572 HydrophobicContact CG1-CG2 3.94Å; V558-V572 HydrophobicContact CG1-CG1 4.15Å; R560-V572 HydrophobicContact CG-CG2 4.24Å; V572-T576 HydrophobicContact CG1-CG2 4Å; V572-L577 HydrophobicContact CG1-CD2 4.08Å; V572-L577 HydrophobicContact CG1-CG 4.04Å |
| 573 | P | 88.6 | Confident | 79.9 | Confident | 44 Ų | 44 | 57 Ų | 57 | 29% | 0.286 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 139.7 | -178.2 | -27.2 | 34.7 | 0 | 0 | 0 | 112.9 | D518 K575 T576 L577 | D518-P573 HydrophobicContact CB-CB 4.48Å; D518-P573 HydrophobicContact CB-CG 4.04Å; D518-P573 VanDerWaalsContact OD2-CB 3.25Å; D518-P573 WeakPolarHBondContact OD2-CB 3.47Å; P573-K575 PolarHBondContact O-N 3.2Å; P573-K575 VanDerWaalsContact O-N 3.15Å; P573-T576 PolarHBondContact O-N 3.43Å; P573-T576 VanDerWaalsContact O-N 3.17Å; P573-L577 PolarHBondContact O-N 3.45Å |
| 574 | P | 91.3 | Very high | 81.6 | Confident | 100 Ų | 100 | 55.7 Ų | 55.7 | 65% | 0.649 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -58.6 | -28.7 | 179.2 | -26 | 34.2 | 0 | 0 | 0 | 114.1 | L577 T578 | P574-L577 PolarHBondContact O-N 3.03Å; P574-T578 PolarHBondContact O-N 3.22Å; P574-T578 PolarHBondContact O-OG1 3.26Å |
| 575 | K | 91.6 | Very high | 83.4 | Confident | 144 Ų | 144 | 52.9 Ų | 52.9 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.5 | -54 | 175.1 | -69.9 | -179.2 | -178.3 | 172 | 0 | 110.9 | P573 L577 T578 E579 | P573-K575 PolarHBondContact O-N 3.2Å; P573-K575 VanDerWaalsContact O-N 3.15Å; K575-L577 VanDerWaalsContact C-N 3.29Å; K575-L577 PolarHBondContact O-N 3.37Å; K575-T578 PolarHBondContact O-N 2.9Å; K575-T578 VanDerWaalsContact O-N 3.11Å; K575-E579 WeakPolarHBondContact O-CG 3.34Å; K575-E579 PolarHBondContact O-N 3.37Å |
| 576 | T | 92.7 | Very high | 85 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.3 | -39.8 | 174.6 | -69.8 | 0 | 0 | 0 | 0 | 112.5 | S516 D518 L520 V522 V558 V572 P573 E579 A580 | S516-T576 VanDerWaalsContact CB-OG1 3.27Å; S516-T576 WeakPolarHBondContact CB-OG1 3.45Å; S516-T576 PolarHBondContact OG-OG1 3.19Å; D518-T576 WeakPolarHBondContact CB-OG1 3.23Å; D518-T576 PolarHBondContact OD2-N 2.94Å; D518-T576 PolarHBondContact OD2-OG1 3.12Å; L520-T576 HydrophobicContact CB-CG2 4.37Å; L520-T576 HydrophobicContact CD1-CG2 4.09Å; V522-T576 HydrophobicContact CG2-CG2 4.33Å; V558-T576 HydrophobicContact CG1-CG2 3.7Å; V558-T576 HydrophobicContact CG2-CG2 4.42Å; V572-T576 HydrophobicContact CG1-CG2 4Å; P573-T576 PolarHBondContact O-N 3.43Å; P573-T576 VanDerWaalsContact O-N 3.17Å; T576-E579 PolarHBondContact O-N 3.36Å; T576-A580 WeakPolarHBondContact O-CB 3.28Å; T576-A580 PolarHBondContact O-N 3.04Å |
| 577 | L | 94 | Very high | 86.8 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 7% | 0.068 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 176.5 | -70.1 | 175.4 | 0 | 0 | 0 | 112.5 | I544 V546 V572 P573 P574 K575 E579 A580 A581 W601 L631 | I544-L577 HydrophobicContact CD1-CD2 4.08Å; I544-L577 HydrophobicContact CG2-CD2 3.96Å; V546-L577 HydrophobicContact CG2-CD2 4.5Å; V572-L577 HydrophobicContact CG1-CD2 4.08Å; V572-L577 HydrophobicContact CG1-CG 4.04Å; P573-L577 PolarHBondContact O-N 3.45Å; P574-L577 PolarHBondContact O-N 3.03Å; K575-L577 VanDerWaalsContact C-N 3.29Å; K575-L577 PolarHBondContact O-N 3.37Å; L577-E579 VanDerWaalsContact C-N 3.35Å; L577-A580 PolarHBondContact O-N 3.36Å; L577-A581 WeakPolarHBondContact O-CB 3.28Å; L577-A581 PolarHBondContact O-N 3.18Å; L577-W601 HydrophobicContact CD1-CD2 4.49Å; L577-W601 HydrophobicContact CD1-CZ2 4.47Å; L577-W601 HydrophobicContact CD2-CB 4.49Å; L577-W601 HydrophobicContact CD2-CD2 4.47Å; L577-W601 HydrophobicContact CD2-CG 4.19Å; L577-L631 HydrophobicContact CB-CD1 4.21Å; L577-L631 HydrophobicContact CB-CD2 4.12Å; L577-L631 WeakPolarHBondContact O-CD1 3.23Å |
| 578 | T | 95.1 | Very high | 88.5 | Confident | 59 Ų | 59 | 44.3 Ų | 44.3 | 36% | 0.362 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.6 | -37.2 | 177.5 | -54 | 0 | 0 | 0 | 0 | 111.4 | P574 K575 A581 T582 | P574-T578 PolarHBondContact O-N 3.22Å; P574-T578 PolarHBondContact O-OG1 3.26Å; K575-T578 PolarHBondContact O-N 2.9Å; K575-T578 VanDerWaalsContact O-N 3.11Å; T578-A581 PolarHBondContact O-N 3.07Å; T578-T582 WeakPolarHBondContact O-CB 3.48Å; T578-T582 PolarHBondContact O-N 3.07Å; T578-T582 PolarHBondContact O-OG1 2.8Å |
| 579 | E | 95.6 | Very high | 90 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.8 | -48.4 | 172.5 | -73.2 | 175.6 | -178.4 | 0 | 0 | 111.3 | F514 S516 S517 K575 T576 L577 A581 T582 M583 P859 A862 | F514-E579 HydrophobicContact CE2-CB 3.96Å; F514-E579 HydrophobicContact CZ-CB 3.9Å; S516-E579 WeakPolarHBondContact CA-OE2 3.45Å; S516-E579 WeakPolarHBondContact CB-OE2 3.46Å; S517-E579 VanDerWaalsContact CB-OE1 3.27Å; S517-E579 WeakPolarHBondContact CB-OE1 3.42Å; S517-E579 PolarHBondContact N-OE2 2.72Å; S517-E579 VanDerWaalsContact OG-CD 3.31Å; S517-E579 PolarHBondContact OG-OE1 3.33Å; S517-E579 PolarHBondContact OG-OE2 3.19Å; K575-E579 WeakPolarHBondContact O-CG 3.34Å; K575-E579 PolarHBondContact O-N 3.37Å; T576-E579 PolarHBondContact O-N 3.36Å; L577-E579 VanDerWaalsContact C-N 3.35Å; E579-A581 VanDerWaalsContact C-N 3.32Å; E579-A581 PolarHBondContact O-N 2.63Å; E579-T582 WeakPolarHBondContact O-CB 3.35Å; E579-T582 PolarHBondContact O-N 3.22Å; E579-T582 VanDerWaalsContact O-N 3.16Å; E579-M583 PolarHBondContact O-N 2.97Å; E579-P859 HydrophobicContact CB-CB 4.26Å; E579-P859 HydrophobicContact CB-CG 3.87Å; E579-P859 HydrophobicContact CG-CB 4.24Å; E579-P859 HydrophobicContact CG-CG 4.39Å; E579-P859 WeakPolarHBondContact O-CG 3.48Å; E579-A862 HydrophobicContact CG-CB 4.36Å; E579-A862 WeakPolarHBondContact OE2-CB 3.35Å |
| 580 | A | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -40.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V522 V546 V556 V558 T576 L577 M583 A584 | V522-A580 HydrophobicContact CG1-CB 3.99Å; V546-A580 HydrophobicContact CB-CB 4.34Å; V546-A580 HydrophobicContact CG1-CB 4.37Å; V546-A580 HydrophobicContact CG2-CB 3.98Å; V556-A580 HydrophobicContact CG1-CB 4.05Å; V558-A580 HydrophobicContact CG2-CB 3.66Å; T576-A580 WeakPolarHBondContact O-CB 3.28Å; T576-A580 PolarHBondContact O-N 3.04Å; L577-A580 PolarHBondContact O-N 3.36Å; A580-M583 WeakPolarHBondContact O-CB 3.49Å; A580-M583 PolarHBondContact O-N 3.18Å; A580-A584 PolarHBondContact O-N 3.06Å |
| 581 | A | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.5 | -44.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V546 L577 T578 E579 M583 A584 V585 A599 L631 | V546-A581 HydrophobicContact CG1-CB 4.36Å; L577-A581 WeakPolarHBondContact O-CB 3.28Å; L577-A581 PolarHBondContact O-N 3.18Å; T578-A581 PolarHBondContact O-N 3.07Å; E579-A581 VanDerWaalsContact C-N 3.32Å; E579-A581 PolarHBondContact O-N 2.63Å; A581-M583 VanDerWaalsContact C-N 3.26Å; A581-M583 PolarHBondContact O-N 3.46Å; A581-A584 PolarHBondContact O-N 3.28Å; A581-A584 VanDerWaalsContact O-N 3.14Å; A581-V585 WeakPolarHBondContact O-CG2 3.41Å; A581-V585 PolarHBondContact O-N 2.66Å; A581-A599 HydrophobicContact CB-CB 3.57Å; A581-L631 HydrophobicContact CB-CB 4.48Å; A581-L631 HydrophobicContact CB-CD1 3.63Å |
| 582 | T | 95.5 | Very high | 93.3 | Very high | 18 Ų | 18 | 28.9 Ų | 28.9 | 11% | 0.11 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.7 | -42.3 | 176.2 | -60 | 0 | 0 | 0 | 0 | 110.9 | T578 E579 C586 S634 P859 | T578-T582 WeakPolarHBondContact O-CB 3.48Å; T578-T582 PolarHBondContact O-N 3.07Å; T578-T582 PolarHBondContact O-OG1 2.8Å; E579-T582 WeakPolarHBondContact O-CB 3.35Å; E579-T582 PolarHBondContact O-N 3.22Å; E579-T582 VanDerWaalsContact O-N 3.16Å; T582-C586 VanDerWaalsContact O-CB 3.27Å; T582-C586 WeakPolarHBondContact O-CB 3.48Å; T582-C586 PolarHBondContact O-N 3.47Å; T582-C586 PolarHBondContact O-SG 2.97Å; T582-S634 WeakPolarHBondContact OG1-CB 3.42Å; T582-S634 PolarHBondContact OG1-OG 3.45Å; T582-P859 HydrophobicContact CG2-CB 3.99Å; T582-P859 HydrophobicContact CG2-CG 4.17Å |
| 583 | M | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62 | -48.7 | 174.4 | -175.7 | -172.3 | -170.6 | 0 | 0 | 111.8 | F512 F514 V522 V556 E579 A580 A581 V585 C586 F587 | F512-M583 VanDerWaalsContact C-CE 3.48Å; F512-M583 HydrophobicContact CB-CE 3.18Å; F512-M583 HydrophobicContact CG-CE 4.39Å; F514-M583 HydrophobicContact CD1-CE 4.45Å; F514-M583 HydrophobicContact CD1-SD 3.65Å; F514-M583 HydrophobicContact CE1-CB 3.94Å; F514-M583 HydrophobicContact CE1-CG 4.21Å; F514-M583 HydrophobicContact CE1-SD 3.47Å; F514-M583 WeakPolarHBondContact CE1-SD 3.17Å; V522-M583 HydrophobicContact CG1-SD 4.03Å; V556-M583 HydrophobicContact CG1-SD 4.21Å; V556-M583 HydrophobicContact CG2-CG 4.4Å; V556-M583 HydrophobicContact CG2-SD 4.27Å; E579-M583 PolarHBondContact O-N 2.97Å; A580-M583 WeakPolarHBondContact O-CB 3.49Å; A580-M583 PolarHBondContact O-N 3.18Å; A581-M583 VanDerWaalsContact C-N 3.26Å; A581-M583 PolarHBondContact O-N 3.46Å; M583-V585 VanDerWaalsContact C-N 3.31Å; M583-V585 PolarHBondContact O-N 2.61Å; M583-C586 PolarHBondContact O-N 3.43Å; M583-F587 HydrophobicContact CE-CD2 4.34Å; M583-F587 HydrophobicContact CE-CE2 4.18Å; M583-F587 HydrophobicContact CG-CD2 3.65Å; M583-F587 HydrophobicContact CG-CE2 3.92Å; M583-F587 WeakPolarHBondContact O-CD2 3.44Å; M583-F587 PolarHBondContact O-N 3.45Å |
| 584 | A | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.3 | -42.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A548 V556 A580 A581 | A548-A584 HydrophobicContact CB-CB 4.12Å; V556-A584 HydrophobicContact CG2-CB 3.77Å; A580-A584 PolarHBondContact O-N 3.06Å; A581-A584 PolarHBondContact O-N 3.28Å; A581-A584 VanDerWaalsContact O-N 3.14Å |
| 585 | V | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.7 | -45.7 | 177.4 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | A548 A581 M583 F587 S588 A590 A599 L636 | A548-V585 HydrophobicContact CB-CB 4.4Å; A548-V585 HydrophobicContact CB-CG2 3.69Å; A581-V585 WeakPolarHBondContact O-CG2 3.41Å; A581-V585 PolarHBondContact O-N 2.66Å; M583-V585 VanDerWaalsContact C-N 3.31Å; M583-V585 PolarHBondContact O-N 2.61Å; V585-F587 VanDerWaalsContact C-N 3.34Å; V585-F587 PolarHBondContact O-N 3.07Å; V585-S588 WeakPolarHBondContact O-CB 3.3Å; V585-S588 PolarHBondContact O-N 3.39Å; V585-S588 PolarHBondContact O-OG 2.68Å; V585-A590 HydrophobicContact CG1-CB 3.87Å; V585-A590 WeakPolarHBondContact O-CB 3.19Å; V585-A599 HydrophobicContact CG2-CB 4.23Å; V585-L636 HydrophobicContact CG1-CD2 3.72Å |
| 586 | C | 94.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.9 | -28.1 | -177.6 | -67.7 | 0 | 0 | 0 | 0 | 113.7 | T582 M583 S588 W591 L638 | T582-C586 VanDerWaalsContact O-CB 3.27Å; T582-C586 WeakPolarHBondContact O-CB 3.48Å; T582-C586 PolarHBondContact O-N 3.47Å; T582-C586 PolarHBondContact O-SG 2.97Å; M583-C586 PolarHBondContact O-N 3.43Å; C586-S588 VanDerWaalsContact C-N 3.28Å; C586-S588 PolarHBondContact O-N 3.43Å; C586-W591 HydrophobicContact CB-CE3 3.71Å; C586-W591 HydrophobicContact CB-CZ3 3.98Å; C586-W591 WeakPolarHBondContact O-CB 3.41Å; C586-L638 HydrophobicContact CB-CD1 3.7Å; C586-L638 HydrophobicContact CB-CD2 3.81Å; C586-L638 HydrophobicContact CB-CG 3.7Å |
| 587 | F | 93.7 | Very high | 93.5 | Very high | 19 Ų | 19 | 32.4 Ų | 32.4 | 8% | 0.083 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 52 | 171.8 | -69.7 | -72.4 | 0 | 0 | 0 | 110.8 | F512 T554 M583 V585 L638 P917 | F512-F587 HydrophobicContact CB-CE2 4.32Å; F512-F587 HydrophobicContact CB-CZ 4.44Å; F512-F587 HydrophobicContact CD1-CD1 4.36Å; F512-F587 AromaticContact CD1-CE1 3.69Å; F512-F587 HydrophobicContact CD1-CE1 3.69Å; F512-F587 HydrophobicContact CD1-CE2 4.37Å; F512-F587 AromaticContact CD1-CZ 3.69Å; F512-F587 HydrophobicContact CD1-CZ 3.69Å; F512-F587 AromaticContact CD2-CD1 3.84Å; F512-F587 HydrophobicContact CD2-CD1 3.84Å; F512-F587 HydrophobicContact CD2-CD2 4.3Å; F512-F587 HydrophobicContact CD2-CE1 4.01Å; F512-F587 HydrophobicContact CD2-CE2 4.45Å; F512-F587 AromaticContact CD2-CG 3.99Å; F512-F587 HydrophobicContact CD2-CG 3.99Å; F512-F587 HydrophobicContact CD2-CZ 4.3Å; F512-F587 HydrophobicContact CE1-CD1 4.05Å; F512-F587 AromaticContact CE1-CE1 3.42Å; F512-F587 HydrophobicContact CE1-CE1 3.42Å; F512-F587 VanDerWaalsContact CE1-CE1 3.42Å; F512-F587 AromaticContact CE1-CZ 3.91Å; F512-F587 HydrophobicContact CE1-CZ 3.91Å; F512-F587 HydrophobicContact CE2-CB 4.45Å; F512-F587 AromaticContact CE2-CD1 3.45Å; F512-F587 HydrophobicContact CE2-CD1 3.45Å; F512-F587 VanDerWaalsContact CE2-CD1 3.45Å; F512-F587 AromaticContact CE2-CE1 3.73Å; F512-F587 HydrophobicContact CE2-CE1 3.73Å; F512-F587 AromaticContact CE2-CG 3.99Å; F512-F587 HydrophobicContact CE2-CG 3.99Å; F512-F587 HydrophobicContact CE2-CZ 4.46Å; F512-F587 HydrophobicContact CG-CD1 4.28Å; F512-F587 HydrophobicContact CG-CD2 4.45Å; F512-F587 AromaticContact CG-CE1 3.99Å; F512-F587 HydrophobicContact CG-CE1 3.99Å; F512-F587 HydrophobicContact CG-CE2 4.17Å; F512-F587 HydrophobicContact CG-CG 4.5Å; F512-F587 AromaticContact CG-CZ 3.92Å; F512-F587 HydrophobicContact CG-CZ 3.92Å; F512-F587 AromaticContact CZ-CD1 3.59Å; F512-F587 HydrophobicContact CZ-CD1 3.59Å; F512-F587 AromaticContact CZ-CE1 3.45Å; F512-F587 HydrophobicContact CZ-CE1 3.45Å; F512-F587 VanDerWaalsContact CZ-CE1 3.45Å; F512-F587 HydrophobicContact CZ-CZ 4.3Å; T554-F587 HydrophobicContact CG2-CB 3.53Å; T554-F587 HydrophobicContact CG2-CG 4.47Å; T554-F587 PolarHBondContact N-O 2.62Å; T554-F587 VanDerWaalsContact N-O 3.12Å; M583-F587 HydrophobicContact CE-CD2 4.34Å; M583-F587 HydrophobicContact CE-CE2 4.18Å; M583-F587 HydrophobicContact CG-CD2 3.65Å; M583-F587 HydrophobicContact CG-CE2 3.92Å; M583-F587 WeakPolarHBondContact O-CD2 3.44Å; M583-F587 PolarHBondContact O-N 3.45Å; V585-F587 VanDerWaalsContact C-N 3.34Å; V585-F587 PolarHBondContact O-N 3.07Å; F587-L638 HydrophobicContact CE2-CD1 4.22Å; F587-L638 HydrophobicContact CZ-CD1 4.21Å; F587-P917 HydrophobicContact CD1-CB 4.26Å; F587-P917 HydrophobicContact CE1-CB 4.12Å; F587-P917 HydrophobicContact CE1-CG 4.36Å |
| 588 | S | 93.3 | Very high | 93.4 | Very high | 13 Ų | 13 | 35.5 Ų | 35.5 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -142.2 | -179 | 175.2 | 80.1 | 0 | 0 | 0 | 0 | 111.1 | I550 G552 A553 V585 C586 A590 W591 | I550-S588 VanDerWaalsContact CG2-OG 3.24Å; I550-S588 WeakPolarHBondContact CG2-OG 3.34Å; G552-S588 WeakPolarHBondContact O-CA 3.4Å; A553-S588 VanDerWaalsContact CA-CB 3.45Å; V585-S588 WeakPolarHBondContact O-CB 3.3Å; V585-S588 PolarHBondContact O-N 3.39Å; V585-S588 PolarHBondContact O-OG 2.68Å; C586-S588 VanDerWaalsContact C-N 3.28Å; C586-S588 PolarHBondContact O-N 3.43Å; S588-A590 PolarHBondContact O-N 3.23Å; S588-A590 VanDerWaalsContact O-N 3.12Å; S588-A590 WeakPolarHBondContact OG-CB 3.47Å; S588-A590 PolarHBondContact OG-N 2.95Å; S588-W591 PolarHBondContact O-N 3.39Å |
| 589 | A | 92.7 | Very high | 93.4 | Very high | 50 Ų | 50 | 32.7 Ų | 32.7 | 41% | 0.413 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.4 | -21.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I550 R551 W591 E592 A593 | I550-A589 HydrophobicContact CG1-CB 4.45Å; R551-A589 VanDerWaalsContact O-CB 3.3Å; R551-A589 WeakPolarHBondContact O-CB 3.35Å; R551-A589 PolarHBondContact O-N 2.84Å; A589-W591 PolarHBondContact O-N 2.85Å; A589-E592 PolarHBondContact O-N 3.45Å; A589-A593 WeakPolarHBondContact O-CB 3.24Å; A589-A593 PolarHBondContact O-N 3.1Å; A589-A593 VanDerWaalsContact O-N 3.07Å |
| 590 | A | 93.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -52.8 | -38.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | I550 V585 S588 A593 K594 V595 L636 | I550-A590 HydrophobicContact CD1-CB 3.88Å; V585-A590 HydrophobicContact CG1-CB 3.87Å; V585-A590 WeakPolarHBondContact O-CB 3.19Å; S588-A590 PolarHBondContact O-N 3.23Å; S588-A590 VanDerWaalsContact O-N 3.12Å; S588-A590 WeakPolarHBondContact OG-CB 3.47Å; S588-A590 PolarHBondContact OG-N 2.95Å; A590-A593 PolarHBondContact O-N 3.42Å; A590-K594 WeakPolarHBondContact O-CA 3.27Å; A590-K594 PolarHBondContact O-N 3.21Å; A590-V595 VanDerWaalsContact CB-O 3.3Å; A590-V595 WeakPolarHBondContact CB-O 3.33Å; A590-V595 PolarHBondContact O-N 2.88Å; A590-V595 VanDerWaalsContact O-N 3.16Å; A590-L636 HydrophobicContact CB-CD2 4.07Å; A590-L636 WeakPolarHBondContact O-CD1 3.4Å |
| 591 | W | 93.7 | Very high | 93.5 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 2% | 0.019 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.2 | -45.6 | -176 | -177.3 | -90.5 | 0 | 0 | 0 | 112.7 | C586 S588 A589 L636 L638 L872 T873 P874 P917 G918 K919 V920 | C586-W591 HydrophobicContact CB-CE3 3.71Å; C586-W591 HydrophobicContact CB-CZ3 3.98Å; C586-W591 WeakPolarHBondContact O-CB 3.41Å; S588-W591 PolarHBondContact O-N 3.39Å; A589-W591 PolarHBondContact O-N 2.85Å; W591-L636 HydrophobicContact CE3-CB 4.49Å; W591-L638 HydrophobicContact CE3-CD1 4.49Å; W591-L638 HydrophobicContact CH2-CB 4.4Å; W591-L638 HydrophobicContact CH2-CD1 4.17Å; W591-L638 HydrophobicContact CH2-CG 4.33Å; W591-L638 HydrophobicContact CZ3-CB 4.47Å; W591-L638 HydrophobicContact CZ3-CD1 3.94Å; W591-L638 HydrophobicContact CZ3-CG 3.97Å; W591-L872 HydrophobicContact CH2-CB 4.33Å; W591-T873 VanDerWaalsContact CZ2-C 3.43Å; W591-P874 HydrophobicContact CD2-CG 3.91Å; W591-P874 HydrophobicContact CE3-CG 4Å; W591-P874 HydrophobicContact CG-CG 4.42Å; W591-P874 HydrophobicContact CH2-CG 4.37Å; W591-P874 HydrophobicContact CZ2-CG 4.27Å; W591-P874 HydrophobicContact CZ3-CG 4.23Å; W591-P874 WeakPolarHBondContact O-CB 3.34Å; W591-P917 HydrophobicContact CD2-CB 4.27Å; W591-P917 HydrophobicContact CD2-CG 4Å; W591-P917 HydrophobicContact CE3-CG 4.46Å; W591-P917 HydrophobicContact CG-CB 4.3Å; W591-P917 HydrophobicContact CH2-CG 4.17Å; W591-P917 HydrophobicContact CZ2-CG 3.68Å; W591-G918 PolarHBondContact NE1-O 2.75Å; W591-K919 PolarHBondContact NE1-O 2.94Å; W591-V920 HydrophobicContact CZ2-CB 4.32Å; W591-V920 HydrophobicContact CZ2-CG1 3.74Å |
| 592 | E | 91 | Very high | 93.4 | Very high | 113 Ų | 113 | 34.4 Ų | 34.4 | 53% | 0.528 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -74.2 | -35.1 | 177.8 | -61.7 | -157.3 | 173.4 | 0 | 0 | 111.8 | A589 K594 K919 | A589-E592 PolarHBondContact O-N 3.45Å; E592-K594 VanDerWaalsContact C-N 3.28Å; E592-K594 PolarHBondContact O-N 3.16Å; E592-K919 HydrophobicContact CG-CD 4.29Å; E592-K919 IonicContact OE1-NZ 3.99Å; E592-K919 IonicContact OE2-NZ 2.77Å; E592-K919 PolarHBondContact OE2-NZ 3.05Å |
| 593 | A | 92.1 | Very high | 93.3 | Very high | 63 Ų | 63 | 38.3 Ų | 38.3 | 52% | 0.521 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -74.3 | -16.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A589 A590 V595 | A589-A593 WeakPolarHBondContact O-CB 3.24Å; A589-A593 PolarHBondContact O-N 3.1Å; A589-A593 VanDerWaalsContact O-N 3.07Å; A590-A593 PolarHBondContact O-N 3.42Å; A593-V595 HydrophobicContact CB-CB 4.37Å; A593-V595 HydrophobicContact CB-CG2 4Å; A593-V595 PolarHBondContact O-N 2.77Å |
| 594 | K | 91.8 | Very high | 93.1 | Very high | 140 Ų | 140 | 41.2 Ų | 41.2 | 61% | 0.609 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 33.1 | -172 | -53.5 | -178.9 | -178.8 | 172.9 | 0 | 113.3 | A590 E592 P874 | A590-K594 WeakPolarHBondContact O-CA 3.27Å; A590-K594 PolarHBondContact O-N 3.21Å; E592-K594 VanDerWaalsContact C-N 3.28Å; E592-K594 PolarHBondContact O-N 3.16Å; K594-P874 HydrophobicContact CD-CB 4.39Å; K594-P874 HydrophobicContact CG-CB 3.82Å; K594-P874 HydrophobicContact CG-CG 4.48Å |
| 595 | V | 91.1 | Very high | 93 | Very high | 80 Ų | 80 | 46.6 Ų | 46.6 | 49% | 0.485 | 25% | 0.249 | S | C | . | . | trans | -107.3 | 132.4 | 179.8 | 176.5 | 0 | 0 | 0 | 0 | 108.8 | A590 A593 | A590-V595 VanDerWaalsContact CB-O 3.3Å; A590-V595 WeakPolarHBondContact CB-O 3.33Å; A590-V595 PolarHBondContact O-N 2.88Å; A590-V595 VanDerWaalsContact O-N 3.16Å; A593-V595 HydrophobicContact CB-CB 4.37Å; A593-V595 HydrophobicContact CB-CG2 4Å; A593-V595 PolarHBondContact O-N 2.77Å | ||
| 596 | V | 89.4 | Confident | 92.9 | Very high | 75 Ų | 75 | 47.7 Ų | 47.7 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | trans | -79.2 | 134.7 | 171.4 | 172.5 | 0 | 0 | 0 | 0 | 108.6 | P633 S634 L636 | V596-P633 HydrophobicContact CG1-CB 3.67Å; V596-S634 VanDerWaalsContact CG1-O 3.26Å; V596-S634 WeakPolarHBondContact CG1-O 3.39Å; V596-L636 HydrophobicContact CG2-CG 4.41Å | ||
| 597 | S | 89.4 | Confident | 92.8 | Very high | 19 Ų | 19 | 48.5 Ų | 48.5 | 13% | 0.133 | 26% | 0.259 | C | S | . | . | trans | -121.9 | 160.1 | 175.8 | -168.3 | 0 | 0 | 0 | 0 | 111.1 | D549 | D549-S597 PolarHBondContact O-OG 3.46Å; D549-S597 VanDerWaalsContact O-OG 3.12Å | ||
| 598 | N | 93.5 | Very high | 92.6 | Very high | 77 Ų | 77 | 48.7 Ų | 48.7 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | trans | -75.2 | 153.4 | 172.9 | -65.4 | -20.9 | 0 | 0 | 0 | 110.2 | D549 P633 | D549-N598 PolarHBondContact N-O 3Å; N598-P633 WeakPolarHBondContact OD1-CG 3.44Å | ||
| 599 | A | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 158.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | H547 A581 V585 L631 | H547-A599 WeakPolarHBondContact O-CA 3.4Å; A581-A599 HydrophobicContact CB-CB 3.57Å; V585-A599 HydrophobicContact CG2-CB 4.23Å; A599-L631 PolarHBondContact O-N 2.83Å |
| 600 | W | 96.1 | Very high | 91.9 | Very high | 11 Ų | 11 | 55.7 Ų | 55.7 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 158.6 | 177.4 | 50 | -95.9 | 0 | 0 | 0 | 110.1 | Y545 H547 V602 I624 K628 N629 Y630 | Y545-W600 HydrophobicContact CD1-CH2 4.44Å; Y545-W600 HydrophobicContact CD1-CZ3 4.06Å; Y545-W600 AromaticContact CE1-CH2 3.91Å; Y545-W600 HydrophobicContact CE1-CH2 3.91Å; Y545-W600 AromaticContact CE1-CZ3 3.99Å; Y545-W600 HydrophobicContact CE1-CZ3 3.99Å; H547-W600 HydrophobicContact CB-CH2 3.58Å; H547-W600 HydrophobicContact CB-CZ2 3.63Å; H547-W600 HydrophobicContact CB-CZ3 4.09Å; H547-W600 AromaticContact CG-CZ2 3.98Å; H547-W600 PolarHBondContact N-O 3.26Å; H547-W600 AromaticContact ND1-CZ2 3.85Å; H547-W600 PolarHBondContact O-N 2.9Å; W600-V602 HydrophobicContact CE3-CG1 4.16Å; W600-V602 HydrophobicContact CZ3-CG1 4.27Å; W600-V602 HydrophobicContact CZ3-CG2 4.1Å; W600-I624 HydrophobicContact CH2-CB 4.5Å; W600-I624 HydrophobicContact CH2-CD1 3.79Å; W600-I624 HydrophobicContact CH2-CG1 3.44Å; W600-I624 VanDerWaalsContact CH2-CG1 3.44Å; W600-I624 HydrophobicContact CZ2-CG1 4.35Å; W600-I624 HydrophobicContact CZ3-CD1 3.95Å; W600-I624 HydrophobicContact CZ3-CG1 3.8Å; W600-I624 HydrophobicContact CZ3-CG2 4.18Å; W600-K628 HydrophobicContact CB-CB 4.23Å; W600-K628 HydrophobicContact CD2-CD 3.83Å; W600-K628 HydrophobicContact CD2-CG 4.22Å; W600-K628 HydrophobicContact CE3-CD 4.16Å; W600-K628 HydrophobicContact CE3-CG 4.13Å; W600-K628 HydrophobicContact CG-CB 4.39Å; W600-K628 HydrophobicContact CG-CD 4.06Å; W600-N629 CarbonylContact C-O 3.52Å; W600-N629 WeakPolarHBondContact CA-O 3.41Å; W600-N629 WeakPolarHBondContact CB-O 3.03Å; W600-Y630 HydrophobicContact CB-CD1 3.97Å; W600-Y630 HydrophobicContact CB-CE1 4.19Å; W600-Y630 HydrophobicContact CB-CG 4.34Å; W600-Y630 AromaticContact CD1-CE1 3.88Å; W600-Y630 HydrophobicContact CG-CE1 4.34Å |
| 601 | W | 95.5 | Very high | 91.4 | Very high | 38 Ų | 38 | 56.8 Ų | 56.8 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 155.3 | 175.8 | 68.8 | -92.1 | 0 | 0 | 0 | 111.6 | I544 Y545 V546 L577 Y603 N629 | I544-W601 HydrophobicContact CD1-CE3 4.25Å; I544-W601 HydrophobicContact CD1-CZ3 4.3Å; I544-W601 HydrophobicContact CG2-CB 3.85Å; I544-W601 HydrophobicContact CG2-CD2 4.2Å; I544-W601 HydrophobicContact CG2-CE3 3.76Å; I544-W601 HydrophobicContact CG2-CG 4.28Å; Y545-W601 CarbonylContact O-C 3.6Å; Y545-W601 WeakPolarHBondContact O-CA 3.38Å; Y545-W601 WeakPolarHBondContact O-CB 3.12Å; V546-W601 HydrophobicContact CB-CB 4.48Å; V546-W601 HydrophobicContact CG2-CB 3.88Å; L577-W601 HydrophobicContact CD1-CD2 4.49Å; L577-W601 HydrophobicContact CD1-CZ2 4.47Å; L577-W601 HydrophobicContact CD2-CB 4.49Å; L577-W601 HydrophobicContact CD2-CD2 4.47Å; L577-W601 HydrophobicContact CD2-CG 4.19Å; W601-Y603 HydrophobicContact CH2-CE2 4.15Å; W601-Y603 AromaticContact CH2-CZ 3.96Å; W601-Y603 HydrophobicContact CZ3-CD1 4.44Å; W601-Y603 HydrophobicContact CZ3-CD2 4.2Å; W601-Y603 HydrophobicContact CZ3-CE1 4.06Å; W601-Y603 AromaticContact CZ3-CE2 3.8Å; W601-Y603 HydrophobicContact CZ3-CE2 3.8Å; W601-Y603 AromaticContact CZ3-CZ 3.73Å; W601-N629 HydrophobicContact CD2-CB 3.79Å; W601-N629 HydrophobicContact CE3-CB 4.46Å; W601-N629 HydrophobicContact CG-CB 4.11Å; W601-N629 HydrophobicContact CH2-CB 4.36Å; W601-N629 WeakPolarHBondContact CH2-ND2 3.4Å; W601-N629 HydrophobicContact CZ2-CB 3.65Å; W601-N629 VanDerWaalsContact CZ2-ND2 3.35Å; W601-N629 WeakPolarHBondContact CZ2-ND2 3.47Å; W601-N629 WeakPolarHBondContact CZ3-ND2 3.48Å; W601-N629 PolarHBondContact N-O 2.83Å; W601-N629 VanDerWaalsContact NE1-CB 3.34Å; W601-N629 PolarHBondContact O-N 2.99Å; W601-N629 VanDerWaalsContact O-N 3.08Å |
| 602 | V | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 162.8 | 176.5 | -66 | 0 | 0 | 0 | 0 | 110.9 | Y545 W600 Q606 V607 I624 K628 | Y545-V602 HydrophobicContact CD1-CG2 3.88Å; Y545-V602 HydrophobicContact CG-CG2 4.45Å; Y545-V602 PolarHBondContact N-O 3.15Å; Y545-V602 PolarHBondContact O-N 3.04Å; W600-V602 HydrophobicContact CE3-CG1 4.16Å; W600-V602 HydrophobicContact CZ3-CG1 4.27Å; W600-V602 HydrophobicContact CZ3-CG2 4.1Å; V602-Q606 HydrophobicContact CB-CB 3.9Å; V602-Q606 HydrophobicContact CB-CG 4.47Å; V602-Q606 HydrophobicContact CG2-CB 4.18Å; V602-V607 HydrophobicContact CG2-CG2 3.77Å; V602-I624 HydrophobicContact CB-CG2 4.29Å; V602-I624 HydrophobicContact CG1-CG2 3.6Å; V602-I624 HydrophobicContact CG2-CD1 4.26Å; V602-I624 HydrophobicContact CG2-CG2 4.01Å; V602-K628 HydrophobicContact CG1-CG 4.24Å |
| 603 | Y | 93.3 | Very high | 90.3 | Very high | 100 Ų | 100 | 59.4 Ų | 59.4 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 163.4 | 173.9 | -65.8 | -74.3 | 0 | 0 | 0 | 112.1 | W601 D605 Q606 | W601-Y603 HydrophobicContact CH2-CE2 4.15Å; W601-Y603 AromaticContact CH2-CZ 3.96Å; W601-Y603 HydrophobicContact CZ3-CD1 4.44Å; W601-Y603 HydrophobicContact CZ3-CD2 4.2Å; W601-Y603 HydrophobicContact CZ3-CE1 4.06Å; W601-Y603 AromaticContact CZ3-CE2 3.8Å; W601-Y603 HydrophobicContact CZ3-CE2 3.8Å; W601-Y603 AromaticContact CZ3-CZ 3.73Å; Y603-D605 VanDerWaalsContact C-N 3.3Å; Y603-D605 WeakPolarHBondContact CB-OD1 3.46Å; Y603-D605 PolarHBondContact O-N 2.9Å; Y603-Q606 WeakPolarHBondContact O-CB 3.18Å; Y603-Q606 PolarHBondContact O-N 2.79Å |
| 604 | H | 91 | Very high | 89.8 | Confident | 61 Ų | 61 | 60.1 Ų | 60.1 | 28% | 0.282 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -57.2 | -37.7 | -176.9 | 71.1 | 92.9 | 0 | 0 | 0 | 114.2 | L539 K540 P541 G542 D543 Q606 V607 | L539-H604 HydrophobicContact CD1-CB 4.12Å; L539-H604 HydrophobicContact CD2-CB 4.27Å; L539-H604 HydrophobicContact CG-CB 3.86Å; K540-H604 WeakPolarHBondContact O-CB 3.47Å; P541-H604 WeakPolarHBondContact CA-NE2 3.17Å; G542-H604 PolarHBondContact N-CD2 2.91Å; D543-H604 PolarHBondContact O-N 2.92Å; H604-Q606 VanDerWaalsContact C-N 3.25Å; H604-Q606 PolarHBondContact O-N 3.22Å; H604-V607 PolarHBondContact O-N 2.89Å |
| 605 | D | 91.6 | Very high | 89.4 | Confident | 113 Ų | 113 | 59.5 Ų | 59.5 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -71.7 | -20.7 | -177.7 | 63.5 | -39.7 | 0 | 0 | 0 | 112.8 | Y603 V607 | Y603-D605 VanDerWaalsContact C-N 3.3Å; Y603-D605 WeakPolarHBondContact CB-OD1 3.46Å; Y603-D605 PolarHBondContact O-N 2.9Å; D605-V607 VanDerWaalsContact C-N 3.3Å |
| 606 | Q | 92.8 | Very high | 89 | Confident | 23 Ų | 23 | 66.4 Ų | 66.4 | 11% | 0.107 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -80.4 | -9.4 | 177.2 | -64.2 | -173.6 | -90.5 | 0 | 0 | 113.2 | V602 Y603 H604 I624 R625 K627 | V602-Q606 HydrophobicContact CB-CB 3.9Å; V602-Q606 HydrophobicContact CB-CG 4.47Å; V602-Q606 HydrophobicContact CG2-CB 4.18Å; Y603-Q606 WeakPolarHBondContact O-CB 3.18Å; Y603-Q606 PolarHBondContact O-N 2.79Å; H604-Q606 VanDerWaalsContact C-N 3.25Å; H604-Q606 PolarHBondContact O-N 3.22Å; Q606-I624 CarbonylContact O-C 3.56Å; Q606-I624 WeakPolarHBondContact O-CA 3.17Å; Q606-R625 WeakPolarHBondContact CB-O 3.46Å; Q606-R625 VanDerWaalsContact CG-O 3.32Å; Q606-R625 WeakPolarHBondContact CG-O 3.24Å; Q606-R625 PolarHBondContact NE2-O 2.93Å; Q606-R625 PolarHBondContact O-N 2.92Å; Q606-K627 PolarHBondContact NE2-O 2.95Å; Q606-K627 VanDerWaalsContact NE2-O 3.16Å |
| 607 | V | 92.5 | Very high | 88.7 | Confident | 19 Ų | 19 | 65.8 Ų | 65.8 | 12% | 0.115 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 117.4 | -177.4 | -172.4 | 0 | 0 | 0 | 0 | 110 | V535 L539 Y545 V602 H604 D605 F622 I624 | V535-V607 HydrophobicContact CG1-CG1 3.8Å; L539-V607 HydrophobicContact CD2-CB 3.99Å; L539-V607 HydrophobicContact CD2-CG1 4.37Å; L539-V607 HydrophobicContact CD2-CG2 4.06Å; Y545-V607 HydrophobicContact CD1-CG2 3.83Å; Y545-V607 HydrophobicContact CD2-CG2 4.28Å; Y545-V607 HydrophobicContact CG-CG2 3.67Å; V602-V607 HydrophobicContact CG2-CG2 3.77Å; H604-V607 PolarHBondContact O-N 2.89Å; D605-V607 VanDerWaalsContact C-N 3.3Å; V607-F622 HydrophobicContact CG1-CB 3.75Å; V607-F622 HydrophobicContact CG1-CD1 4.17Å; V607-F622 HydrophobicContact CG1-CG 3.98Å; V607-I624 HydrophobicContact CB-CD1 4.43Å; V607-I624 HydrophobicContact CG1-CD1 4.22Å; V607-I624 HydrophobicContact CG2-CD1 4.02Å |
| 608 | S | 90.5 | Very high | 88.5 | Confident | 23 Ų | 23 | 69.7 Ų | 69.7 | 16% | 0.161 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 141.9 | -179.3 | -172.4 | 0 | 0 | 0 | 0 | 112 | T610 M623 | S608-T610 VanDerWaalsContact C-N 3.33Å; S608-T610 PolarHBondContact OG-N 2.93Å; S608-T610 VanDerWaalsContact OG-N 3.17Å; S608-M623 PolarHBondContact N-O 3.25Å; S608-M623 PolarHBondContact O-N 2.81Å |
| 609 | K | 85.8 | Confident | 88.1 | Confident | 119 Ų | 119 | 70 Ų | 70 | 52% | 0.517 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -86.4 | -6.7 | 169.4 | -168 | 170.7 | 177.5 | 177.8 | 0 | 112.4 | E532 A611 L617 | E532-K609 VanDerWaalsContact CD-NZ 3.31Å; E532-K609 IonicContact OE1-NZ 2.91Å; E532-K609 PolarHBondContact OE1-NZ 3.18Å; E532-K609 IonicContact OE2-NZ 3.44Å; E532-K609 PolarHBondContact OE2-NZ 3.45Å; K609-A611 PolarHBondContact O-N 2.85Å; K609-L617 WeakPolarHBondContact O-CD1 3.46Å |
| 610 | T | 85.3 | Confident | 87.4 | Confident | 91 Ų | 91 | 70.4 Ų | 70.4 | 56% | 0.558 | 39% | 0.394 | S | S | * | . | trans | -87.1 | 114.5 | -179.3 | -48.8 | 0 | 0 | 0 | 0 | 109.6 | S608 | S608-T610 VanDerWaalsContact C-N 3.33Å; S608-T610 PolarHBondContact OG-N 2.93Å; S608-T610 VanDerWaalsContact OG-N 3.17Å | ||
| 611 | A | 82.4 | Confident | 86.9 | Confident | 23 Ų | 23 | 72 Ų | 72 | 19% | 0.19 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 153.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | K609 E615 L617 | K609-A611 PolarHBondContact O-N 2.85Å; A611-E615 HydrophobicContact CB-CB 4.41Å; A611-E615 WeakPolarHBondContact CB-O 3.34Å; A611-L617 HydrophobicContact CB-CD1 4.24Å; A611-L617 HydrophobicContact CB-CG 3.93Å |
| 612 | P | 83.3 | Confident | 86.7 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 38% | 0.383 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 151.4 | 163.5 | -21.4 | 33.7 | 0 | 0 | 0 | 111.2 | G614 E615 M623 | P612-G614 PolarHBondContact O-N 2.66Å; P612-E615 PolarHBondContact O-N 2.9Å; P612-E615 VanDerWaalsContact O-N 3.09Å; P612-M623 HydrophobicContact CG-SD 3.85Å |
| 613 | A | 79.1 | Confident | 86.4 | Confident | 113 Ų | 113 | 74.2 Ų | 74.2 | 93% | 0.934 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 122.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 614 | G | 81.6 | Confident | 86.3 | Confident | 78 Ų | 78 | 70.4 Ų | 70.4 | 80% | 0.804 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.1 | -8.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | P612 | P612-G614 PolarHBondContact O-N 2.66Š|
| 615 | E | 83.4 | Confident | 86.3 | Confident | 128 Ų | 128 | 74 Ų | 74 | 60% | 0.598 | 42% | 0.416 | S | S | * | . | trans | -108.1 | 155 | 175.1 | -66 | -176 | 177.2 | 0 | 0 | 111.4 | A611 P612 | A611-E615 HydrophobicContact CB-CB 4.41Å; A611-E615 WeakPolarHBondContact CB-O 3.34Å; P612-E615 PolarHBondContact O-N 2.9Å; P612-E615 VanDerWaalsContact O-N 3.09Å | ||
| 616 | Y | 81.9 | Confident | 86.2 | Confident | 224 Ų | 224 | 71.9 Ų | 71.9 | 88% | 0.878 | 42% | 0.421 | S | S | * | . | trans | -119.2 | 133.8 | 172.9 | -62 | -88.1 | 0 | 0 | 0 | 109.3 | ||||
| 617 | L | 82.8 | Confident | 86.2 | Confident | 62 Ų | 62 | 78.6 Ų | 78.6 | 33% | 0.325 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -85.9 | 134.1 | 172.9 | -70.1 | 168.6 | 0 | 0 | 0 | 109.8 | K609 A611 M623 | K609-L617 WeakPolarHBondContact O-CD1 3.46Å; A611-L617 HydrophobicContact CB-CD1 4.24Å; A611-L617 HydrophobicContact CB-CG 3.93Å; L617-M623 HydrophobicContact CD1-CB 4.14Å |
| 618 | T | 85.3 | Confident | 86.3 | Confident | 101 Ų | 101 | 81.1 Ų | 81.1 | 62% | 0.62 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 155.8 | 171.1 | 62.5 | 0 | 0 | 0 | 0 | 110.6 | G620 S621 | T618-G620 PolarHBondContact O-N 3.05Å; T618-S621 VanDerWaalsContact O-CB 3.29Å; T618-S621 WeakPolarHBondContact O-CB 3.46Å; T618-S621 PolarHBondContact O-N 2.65Å; T618-S621 PolarHBondContact OG1-OG 3.23Å |
| 619 | T | 84.8 | Confident | 86.5 | Confident | 84 Ų | 84 | 82.1 Ų | 82.1 | 52% | 0.515 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 128.6 | 178.2 | -47.8 | 0 | 0 | 0 | 0 | 110.8 | A528 Q529 E532 S621 | A528-T619 HydrophobicContact CB-CG2 4.42Å; A528-T619 WeakPolarHBondContact CB-O 3.39Å; Q529-T619 HydrophobicContact CG-CG2 4.42Å; E532-T619 HydrophobicContact CG-CG2 4.35Å; E532-T619 VanDerWaalsContact OE1-CA 3.25Å; E532-T619 WeakPolarHBondContact OE1-CA 3.34Å; E532-T619 WeakPolarHBondContact OE1-CG2 3.39Å; T619-S621 VanDerWaalsContact C-N 3.32Å |
| 620 | G | 81.8 | Confident | 86.9 | Confident | 9 Ų | 9 | 83.1 Ų | 83.1 | 9% | 0.093 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 4.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | A528 E532 T618 F622 | A528-G620 VanDerWaalsContact O-CA 3.3Å; A528-G620 WeakPolarHBondContact O-CA 3.48Å; E532-G620 VanDerWaalsContact CG-N 3.34Å; E532-G620 PolarHBondContact OE1-N 3.14Å; T618-G620 PolarHBondContact O-N 3.05Å; G620-F622 WeakPolarHBondContact O-CE2 3.43Å |
| 621 | S | 85.5 | Confident | 87.2 | Confident | 45 Ų | 45 | 80.1 Ų | 80.1 | 32% | 0.315 | 45% | 0.445 | S | S | . | . | trans | -97.3 | 144.5 | 170.6 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | T618 T619 | T618-S621 VanDerWaalsContact O-CB 3.29Å; T618-S621 WeakPolarHBondContact O-CB 3.46Å; T618-S621 PolarHBondContact O-N 2.65Å; T618-S621 PolarHBondContact OG1-OG 3.23Å; T619-S621 VanDerWaalsContact C-N 3.32Å | ||
| 622 | F | 90.3 | Very high | 87.6 | Confident | 25 Ų | 25 | 82.4 Ų | 82.4 | 11% | 0.11 | 46% | 0.464 | C | S | . | . | trans | -129.3 | 142 | -179.3 | -52.4 | -83.4 | 0 | 0 | 0 | 110.4 | N531 E532 V535 Y545 S555 V607 G620 I624 | N531-F622 HydrophobicContact CB-CE2 4.39Å; E532-F622 HydrophobicContact CG-CZ 4.36Å; V535-F622 HydrophobicContact CB-CD1 4.26Å; V535-F622 HydrophobicContact CB-CE1 3.52Å; V535-F622 HydrophobicContact CB-CE2 4.31Å; V535-F622 HydrophobicContact CB-CZ 3.54Å; V535-F622 HydrophobicContact CG1-CD1 3.85Å; V535-F622 HydrophobicContact CG1-CE1 3.56Å; V535-F622 HydrophobicContact CG1-CZ 4.08Å; V535-F622 HydrophobicContact CG2-CD1 4.38Å; V535-F622 HydrophobicContact CG2-CD2 4.25Å; V535-F622 HydrophobicContact CG2-CE1 3.8Å; V535-F622 HydrophobicContact CG2-CE2 3.66Å; V535-F622 HydrophobicContact CG2-CZ 3.39Å; Y545-F622 HydrophobicContact CE2-CD2 4.48Å; Y545-F622 WeakPolarHBondContact OH-CD2 3.4Å; S555-F622 WeakPolarHBondContact OG-CE2 3.45Å; V607-F622 HydrophobicContact CG1-CB 3.75Å; V607-F622 HydrophobicContact CG1-CD1 4.17Å; V607-F622 HydrophobicContact CG1-CG 3.98Å; G620-F622 WeakPolarHBondContact O-CE2 3.43Å; F622-I624 HydrophobicContact CB-CD1 4.45Å | ||
| 623 | M | 89.6 | Confident | 87.9 | Confident | 59 Ų | 59 | 83.6 Ų | 83.6 | 29% | 0.291 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 123 | 170.5 | -172.6 | 69.1 | -96.3 | 0 | 0 | 109.2 | S608 P612 L617 | S608-M623 PolarHBondContact N-O 3.25Å; S608-M623 PolarHBondContact O-N 2.81Å; P612-M623 HydrophobicContact CG-SD 3.85Å; L617-M623 HydrophobicContact CD1-CB 4.14Å |
| 624 | I | 92 | Very high | 88.2 | Confident | 19 Ų | 19 | 78.5 Ų | 78.5 | 10% | 0.097 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 120.2 | 178.8 | -52.2 | -61.2 | 0 | 0 | 0 | 109.2 | Y545 W600 V602 Q606 V607 F622 K628 | Y545-I624 HydrophobicContact CD1-CD1 4.22Å; Y545-I624 HydrophobicContact CE1-CD1 3.96Å; W600-I624 HydrophobicContact CH2-CB 4.5Å; W600-I624 HydrophobicContact CH2-CD1 3.79Å; W600-I624 HydrophobicContact CH2-CG1 3.44Å; W600-I624 VanDerWaalsContact CH2-CG1 3.44Å; W600-I624 HydrophobicContact CZ2-CG1 4.35Å; W600-I624 HydrophobicContact CZ3-CD1 3.95Å; W600-I624 HydrophobicContact CZ3-CG1 3.8Å; W600-I624 HydrophobicContact CZ3-CG2 4.18Å; V602-I624 HydrophobicContact CB-CG2 4.29Å; V602-I624 HydrophobicContact CG1-CG2 3.6Å; V602-I624 HydrophobicContact CG2-CD1 4.26Å; V602-I624 HydrophobicContact CG2-CG2 4.01Å; Q606-I624 CarbonylContact O-C 3.56Å; Q606-I624 WeakPolarHBondContact O-CA 3.17Å; V607-I624 HydrophobicContact CB-CD1 4.43Å; V607-I624 HydrophobicContact CG1-CD1 4.22Å; V607-I624 HydrophobicContact CG2-CD1 4.02Å; F622-I624 HydrophobicContact CB-CD1 4.45Å; I624-K628 HydrophobicContact CG2-CG 4.16Å |
| 625 | R | 89.7 | Confident | 88.6 | Confident | 137 Ų | 137 | 81.8 Ų | 81.8 | 52% | 0.517 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -102.2 | 144.2 | 179.6 | -60.8 | -176.9 | -179 | -175.6 | 0 | 110.2 | Q606 | Q606-R625 WeakPolarHBondContact CB-O 3.46Å; Q606-R625 VanDerWaalsContact CG-O 3.32Å; Q606-R625 WeakPolarHBondContact CG-O 3.24Å; Q606-R625 PolarHBondContact NE2-O 2.93Å; Q606-R625 PolarHBondContact O-N 2.92Å |
| 626 | G | 89.8 | Confident | 89.1 | Confident | 69 Ų | 69 | 76.7 Ų | 76.7 | 71% | 0.711 | 40% | 0.4 | S | S | * | . | S | Bend | trans | 82.6 | -163.5 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 627 | K | 92.4 | Very high | 89.7 | Confident | 164 Ų | 164 | 67.4 Ų | 67.4 | 71% | 0.713 | 37% | 0.365 | S | S | * | . | trans | -79 | 127.3 | -173.2 | -171.6 | 177.5 | 179.6 | -179.3 | 0 | 110.8 | Q606 | Q606-K627 PolarHBondContact NE2-O 2.95Å; Q606-K627 VanDerWaalsContact NE2-O 3.16Å | ||
| 628 | K | 94.2 | Very high | 90.2 | Very high | 71 Ų | 71 | 64.4 Ų | 64.4 | 31% | 0.309 | 35% | 0.35 | S | S | . | . | trans | -82.9 | 132.3 | 168.9 | -68.2 | -179.8 | 178.4 | -178.3 | 0 | 109.7 | W600 V602 I624 Y630 | W600-K628 HydrophobicContact CB-CB 4.23Å; W600-K628 HydrophobicContact CD2-CD 3.83Å; W600-K628 HydrophobicContact CD2-CG 4.22Å; W600-K628 HydrophobicContact CE3-CD 4.16Å; W600-K628 HydrophobicContact CE3-CG 4.13Å; W600-K628 HydrophobicContact CG-CB 4.39Å; W600-K628 HydrophobicContact CG-CD 4.06Å; V602-K628 HydrophobicContact CG1-CG 4.24Å; I624-K628 HydrophobicContact CG2-CG 4.16Å; K628-Y630 HydrophobicContact CB-CE2 4.11Å | ||
| 629 | N | 94.9 | Very high | 90.7 | Very high | 45 Ų | 45 | 59.6 Ų | 59.6 | 24% | 0.241 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 106.3 | 175.6 | -61.1 | -54 | 0 | 0 | 0 | 109.2 | W600 W601 | W600-N629 CarbonylContact C-O 3.52Å; W600-N629 WeakPolarHBondContact CA-O 3.41Å; W600-N629 WeakPolarHBondContact CB-O 3.03Å; W601-N629 HydrophobicContact CD2-CB 3.79Å; W601-N629 HydrophobicContact CE3-CB 4.46Å; W601-N629 HydrophobicContact CG-CB 4.11Å; W601-N629 HydrophobicContact CH2-CB 4.36Å; W601-N629 WeakPolarHBondContact CH2-ND2 3.4Å; W601-N629 HydrophobicContact CZ2-CB 3.65Å; W601-N629 VanDerWaalsContact CZ2-ND2 3.35Å; W601-N629 WeakPolarHBondContact CZ2-ND2 3.47Å; W601-N629 WeakPolarHBondContact CZ3-ND2 3.48Å; W601-N629 PolarHBondContact N-O 2.83Å; W601-N629 VanDerWaalsContact NE1-CB 3.34Å; W601-N629 PolarHBondContact O-N 2.99Å; W601-N629 VanDerWaalsContact O-N 3.08Å |
| 630 | Y | 94.4 | Very high | 91.1 | Very high | 140 Ų | 140 | 55.7 Ų | 55.7 | 55% | 0.549 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 141 | -178.5 | -70.8 | -87.8 | 0 | 0 | 0 | 111.7 | W600 K628 | W600-Y630 HydrophobicContact CB-CD1 3.97Å; W600-Y630 HydrophobicContact CB-CE1 4.19Å; W600-Y630 HydrophobicContact CB-CG 4.34Å; W600-Y630 AromaticContact CD1-CE1 3.88Å; W600-Y630 HydrophobicContact CG-CE1 4.34Å; K628-Y630 HydrophobicContact CB-CE2 4.11Å |
| 631 | L | 92.3 | Very high | 91.6 | Very high | 28 Ų | 28 | 55.3 Ų | 55.3 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 157.7 | 177 | -65.5 | 166.2 | 0 | 0 | 0 | 109.9 | L577 A581 A599 | L577-L631 HydrophobicContact CB-CD1 4.21Å; L577-L631 HydrophobicContact CB-CD2 4.12Å; L577-L631 WeakPolarHBondContact O-CD1 3.23Å; A581-L631 HydrophobicContact CB-CB 4.48Å; A581-L631 HydrophobicContact CB-CD1 3.63Å; A599-L631 PolarHBondContact O-N 2.83Å |
| 632 | A | 90.6 | Very high | 91.9 | Very high | 71 Ų | 71 | 53.1 Ų | 53.1 | 59% | 0.587 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 145.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S634 | A632-S634 PolarHBondContact O-N 3Š|
| 633 | P | 89.2 | Confident | 92 | Very high | 83 Ų | 83 | 52 Ų | 52 | 54% | 0.539 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 122.6 | 178.3 | -19.8 | 26.5 | 0 | 0 | 0 | 111.5 | V596 N598 | V596-P633 HydrophobicContact CG1-CB 3.67Å; N598-P633 WeakPolarHBondContact OD1-CG 3.44Å |
| 634 | S | 86.1 | Confident | 92 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 5% | 0.049 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 138.5 | -175.1 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | T582 V596 A632 | T582-S634 WeakPolarHBondContact OG1-CB 3.42Å; T582-S634 PolarHBondContact OG1-OG 3.45Å; V596-S634 VanDerWaalsContact CG1-O 3.26Å; V596-S634 WeakPolarHBondContact CG1-O 3.39Å; A632-S634 PolarHBondContact O-N 3Å |
| 635 | Q | 89.7 | Confident | 91.9 | Very high | 146 Ų | 146 | 50.2 Ų | 50.2 | 68% | 0.682 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 148.8 | 176.4 | -62 | -178.7 | 4.3 | 0 | 0 | 111.2 | L637 | Q635-L637 HydrophobicContact CB-CB 4.4Å; Q635-L637 PolarHBondContact O-N 3.41Å |
| 636 | L | 93.3 | Very high | 91.7 | Very high | 21 Ų | 21 | 43.7 Ų | 43.7 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -76.3 | 67.6 | 175.1 | -64.9 | 178.1 | 0 | 0 | 0 | 111.3 | V585 A590 W591 V596 P874 | V585-L636 HydrophobicContact CG1-CD2 3.72Å; A590-L636 HydrophobicContact CB-CD2 4.07Å; A590-L636 WeakPolarHBondContact O-CD1 3.4Å; W591-L636 HydrophobicContact CE3-CB 4.49Å; V596-L636 HydrophobicContact CG2-CG 4.41Å; L636-P874 HydrophobicContact CB-CG 4.01Å; L636-P874 HydrophobicContact CD1-CG 4.09Å; L636-P874 WeakPolarHBondContact O-CD 3.36Å |
| 637 | L | 94.3 | Very high | 91.4 | Very high | 29 Ų | 29 | 42.4 Ų | 42.4 | 15% | 0.152 | 21% | 0.213 | C | C | . | . | trans | -134.9 | 111.7 | -172 | -167.8 | 70.6 | 0 | 0 | 0 | 114.3 | Q635 Y860 K871 T873 | Q635-L637 HydrophobicContact CB-CB 4.4Å; Q635-L637 PolarHBondContact O-N 3.41Å; L637-Y860 HydrophobicContact CD2-CD1 4.2Å; L637-Y860 HydrophobicContact CD2-CG 4.33Å; L637-Y860 PolarHBondContact O-N 2.83Å; L637-K871 HydrophobicContact CD1-CD 3.91Å; L637-K871 HydrophobicContact CD1-CG 3.59Å; L637-K871 HydrophobicContact CG-CG 4.42Å; L637-T873 HydrophobicContact CD1-CG2 3.59Å | ||
| 638 | L | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 157.4 | 174.2 | -64.9 | 175.2 | 0 | 0 | 0 | 111 | C586 F587 W591 G858 L872 P917 | C586-L638 HydrophobicContact CB-CD1 3.7Å; C586-L638 HydrophobicContact CB-CD2 3.81Å; C586-L638 HydrophobicContact CB-CG 3.7Å; F587-L638 HydrophobicContact CE2-CD1 4.22Å; F587-L638 HydrophobicContact CZ-CD1 4.21Å; W591-L638 HydrophobicContact CE3-CD1 4.49Å; W591-L638 HydrophobicContact CH2-CB 4.4Å; W591-L638 HydrophobicContact CH2-CD1 4.17Å; W591-L638 HydrophobicContact CH2-CG 4.33Å; W591-L638 HydrophobicContact CZ3-CB 4.47Å; W591-L638 HydrophobicContact CZ3-CD1 3.94Å; W591-L638 HydrophobicContact CZ3-CG 3.97Å; L638-G858 CarbonylContact C-O 3.53Å; L638-G858 VanDerWaalsContact CA-O 3.28Å; L638-G858 WeakPolarHBondContact CA-O 3.44Å; L638-G858 WeakPolarHBondContact CD2-O 3.29Å; L638-L872 HydrophobicContact CB-CB 4.12Å; L638-L872 PolarHBondContact N-O 2.82Å; L638-L872 VanDerWaalsContact N-O 3.14Å; L638-L872 WeakPolarHBondContact O-CA 3.36Å; L638-L872 PolarHBondContact O-N 3.26Å; L638-P917 HydrophobicContact CD1-CG 3.72Å |
| 639 | G | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 145.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110 | C857 G858 M863 V870 | G639-C857 WeakPolarHBondContact O-CA 3.38Å; G639-G858 PolarHBondContact N-O 2.84Å; G639-G858 PolarHBondContact O-N 2.78Å; G639-G858 VanDerWaalsContact O-N 3.15Å; G639-M863 VanDerWaalsContact O-CE 3.29Å; G639-M863 WeakPolarHBondContact O-CE 3.49Å; G639-V870 CarbonylContact C-O 3.58Å; G639-V870 VanDerWaalsContact CA-O 3.32Å; G639-V870 WeakPolarHBondContact CA-O 3.47Å |
| 640 | F | 94.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124.3 | 164.2 | 174.1 | -98.6 | 0 | 0 | 0 | 108.2 | P855 C857 K869 V870 L872 V883 A886 F890 L912 I916 | F640-P855 HydrophobicContact CE2-CB 3.93Å; F640-P855 HydrophobicContact CZ-CB 4.06Å; F640-C857 HydrophobicContact CD2-CB 4.43Å; F640-K869 CarbonylContact O-C 3.56Å; F640-K869 WeakPolarHBondContact O-CA 3.36Å; F640-V870 HydrophobicContact CB-CG2 3.89Å; F640-V870 HydrophobicContact CD1-CG2 4.04Å; F640-V870 HydrophobicContact CG-CG2 4.47Å; F640-V870 PolarHBondContact N-O 2.99Å; F640-V870 WeakPolarHBondContact O-CG2 3.46Å; F640-V870 PolarHBondContact O-N 2.87Å; F640-L872 HydrophobicContact CB-CD1 3.75Å; F640-L872 HydrophobicContact CB-CD2 4.38Å; F640-L872 HydrophobicContact CB-CG 4Å; F640-V883 HydrophobicContact CE1-CG1 3.69Å; F640-V883 HydrophobicContact CE2-CG1 4.36Å; F640-V883 HydrophobicContact CZ-CG1 3.51Å; F640-V883 HydrophobicContact CZ-CG2 4.41Å; F640-A886 HydrophobicContact CD1-CB 3.8Å; F640-A886 HydrophobicContact CE1-CB 3.98Å; F640-F890 HydrophobicContact CD1-CE2 4.42Å; F640-F890 HydrophobicContact CE1-CE2 4.23Å; F640-L912 HydrophobicContact CZ-CD2 3.76Å; F640-I916 HydrophobicContact CB-CG2 4.3Å; F640-I916 HydrophobicContact CD2-CG2 3.49Å; F640-I916 VanDerWaalsContact CD2-CG2 3.49Å; F640-I916 HydrophobicContact CE2-CG2 4.13Å; F640-I916 HydrophobicContact CG-CG2 4.13Å |
| 641 | G | 92.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 178 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V856 Y868 | G641-V856 PolarHBondContact N-O 3.5Å; G641-V856 PolarHBondContact O-N 3.47Å; G641-Y868 CarbonylContact C-O 3.58Å; G641-Y868 WeakPolarHBondContact CA-O 3.19Å |
| 642 | I | 91.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128.1 | -179.6 | -53.7 | -65.9 | 0 | 0 | 0 | 109.3 | F644 A853 L854 P855 Y868 I887 F890 L904 I907 | I642-F644 HydrophobicContact CG2-CE1 4.38Å; I642-F644 HydrophobicContact CG2-CE2 4.37Å; I642-F644 HydrophobicContact CG2-CZ 4.09Å; I642-A853 HydrophobicContact CG2-CB 3.72Å; I642-L854 CarbonylContact C-O 3.6Å; I642-L854 VanDerWaalsContact CA-O 3.29Å; I642-L854 WeakPolarHBondContact CA-O 3.49Å; I642-P855 HydrophobicContact CD1-CB 4.3Å; I642-Y868 PolarHBondContact N-O 2.94Å; I642-I887 HydrophobicContact CD1-CD1 4.29Å; I642-F890 HydrophobicContact CG1-CD2 4.13Å; I642-F890 HydrophobicContact CG1-CE2 3.91Å; I642-L904 HydrophobicContact CB-CD2 4.22Å; I642-L904 HydrophobicContact CD1-CD2 4.2Å; I642-L904 HydrophobicContact CG1-CD2 3.66Å; I642-L904 HydrophobicContact CG2-CD2 3.95Å; I642-I907 HydrophobicContact CD1-CD1 4.13Å |
| 643 | M | 92 | Very high | 87.7 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 156.2 | 165.4 | -63.8 | -172.1 | 84.8 | 0 | 0 | 110.2 | W513 I515 L840 V841 A853 L854 V856 F866 | W513-M643 HydrophobicContact CH2-SD 4.34Å; W513-M643 HydrophobicContact CZ3-SD 4.35Å; I515-M643 HydrophobicContact CD1-CE 3.89Å; I515-M643 HydrophobicContact CD1-SD 4.05Å; M643-L840 HydrophobicContact CE-CB 3.73Å; M643-L840 WeakPolarHBondContact CE-O 3.42Å; M643-L840 HydrophobicContact SD-CB 4.36Å; M643-V841 CarbonylContact C-O 3.59Å; M643-V841 WeakPolarHBondContact CA-O 3.37Å; M643-A853 CarbonylContact O-C 3.58Å; M643-A853 WeakPolarHBondContact O-CA 3.37Å; M643-L854 HydrophobicContact CB-CB 4.15Å; M643-L854 PolarHBondContact N-O 3.13Å; M643-L854 WeakPolarHBondContact O-CB 3.37Å; M643-L854 PolarHBondContact O-N 2.86Å; M643-V856 HydrophobicContact CB-CG2 4.16Å; M643-V856 HydrophobicContact CG-CG2 3.64Å; M643-V856 HydrophobicContact SD-CG2 3.83Å; M643-F866 HydrophobicContact CE-CE2 4.45Å; M643-F866 HydrophobicContact CE-CZ 4.08Å; M643-F866 HydrophobicContact CG-CD1 4.3Å; M643-F866 HydrophobicContact CG-CE1 3.28Å; M643-F866 HydrophobicContact CG-CE2 4.29Å; M643-F866 HydrophobicContact CG-CZ 3.27Å; M643-F866 HydrophobicContact SD-CE1 4.18Å; M643-F866 HydrophobicContact SD-CE2 4.48Å; M643-F866 HydrophobicContact SD-CZ 3.59Å; M643-F866 VanDerWaalsContact SD-CZ 3.59Å |
| 644 | F | 90.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 138.6 | 173.5 | -60 | -86.3 | 0 | 0 | 0 | 109.5 | I642 L840 V841 L844 P850 Y852 A853 Y868 L903 | I642-F644 HydrophobicContact CG2-CE1 4.38Å; I642-F644 HydrophobicContact CG2-CE2 4.37Å; I642-F644 HydrophobicContact CG2-CZ 4.09Å; F644-L840 WeakPolarHBondContact O-CA 3.4Å; F644-V841 HydrophobicContact CB-CG2 4.19Å; F644-V841 PolarHBondContact N-O 3.1Å; F644-V841 PolarHBondContact O-N 3.07Å; F644-L844 HydrophobicContact CB-CD1 4.34Å; F644-L844 HydrophobicContact CD2-CB 4.03Å; F644-L844 HydrophobicContact CD2-CD2 4.49Å; F644-L844 HydrophobicContact CE2-CB 4.21Å; F644-L844 HydrophobicContact CG-CD1 4.41Å; F644-P850 HydrophobicContact CB-CB 4.05Å; F644-P850 HydrophobicContact CD1-CB 3.98Å; F644-P850 HydrophobicContact CG-CB 4.27Å; F644-Y852 WeakPolarHBondContact CA-O 3.42Å; F644-A853 HydrophobicContact CD1-CB 4.04Å; F644-A853 HydrophobicContact CE1-CB 3.92Å; F644-Y868 AromaticContact CE2-CD2 3.62Å; F644-Y868 HydrophobicContact CE2-CD2 3.62Å; F644-Y868 AromaticContact CE2-CE2 3.6Å; F644-Y868 HydrophobicContact CE2-CE2 3.6Å; F644-Y868 AromaticContact CZ-CD2 3.7Å; F644-Y868 HydrophobicContact CZ-CD2 3.7Å; F644-Y868 AromaticContact CZ-CE2 3.52Å; F644-Y868 HydrophobicContact CZ-CE2 3.52Å; F644-L903 HydrophobicContact CD1-CD1 4.05Å; F644-L903 HydrophobicContact CE1-CD1 4.24Å |
| 645 | R | 88.6 | Confident | 87.3 | Confident | 40 Ų | 40 | 39.3 Ų | 39.3 | 15% | 0.151 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 126.8 | 164 | 177.2 | 176.2 | 176.6 | 104.1 | 3.3 | 108.6 | N835 C839 L840 P850 L851 Y852 | R645-N835 PolarHBondContact NH1-OD1 3.12Å; R645-N835 PolarHBondContact NH2-OD1 2.64Å; R645-C839 WeakPolarHBondContact CA-O 3.48Å; R645-C839 HydrophobicContact CG-CB 4.36Å; R645-L840 HydrophobicContact CB-CD2 3.8Å; R645-P850 CarbonylContact O-C 3.52Å; R645-L851 HydrophobicContact CG-CD1 4.4Å; R645-L851 PolarHBondContact O-N 3.4Å; R645-Y852 HydrophobicContact CB-CD1 4.45Å; R645-Y852 HydrophobicContact CB-CD2 3.87Å; R645-Y852 HydrophobicContact CB-CE1 4.12Å; R645-Y852 HydrophobicContact CB-CE2 3.42Å; R645-Y852 VanDerWaalsContact CB-CE2 3.42Å; R645-Y852 HydrophobicContact CB-CG 4.37Å; R645-Y852 VanDerWaalsContact CD-CE1 3.45Å; R645-Y852 WeakPolarHBondContact CD-OH 3.26Å; R645-Y852 HydrophobicContact CG-CE1 4.31Å; R645-Y852 HydrophobicContact CG-CE2 4.3Å; R645-Y852 PolarHBondContact N-O 3.22Å |
| 646 | L | 85.9 | Confident | 86.9 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 157.6 | 173.3 | -60.2 | -171.3 | 0 | 0 | 0 | 111.6 | A651 Y654 C839 V841 L844 Y848 | L646-A651 HydrophobicContact CB-CB 4.15Å; L646-Y654 HydrophobicContact CD1-CG 4.28Å; L646-C839 PolarHBondContact N-O 3.03Å; L646-V841 HydrophobicContact CD1-CG1 3.65Å; L646-V841 HydrophobicContact CD1-CG2 4.06Å; L646-V841 HydrophobicContact CD2-CG2 3.73Å; L646-V841 HydrophobicContact CG-CG1 4.06Å; L646-V841 HydrophobicContact CG-CG2 3.84Å; L646-L844 HydrophobicContact CD2-CD1 3.96Å; L646-Y848 HydrophobicContact CD1-CD2 3.89Å; L646-Y848 HydrophobicContact CD1-CE2 4.44Å; L646-Y848 HydrophobicContact CD1-CG 3.95Å; L646-Y848 HydrophobicContact CD2-CG 4.4Å |
| 647 | D | 82.5 | Confident | 86.4 | Confident | 41 Ų | 41 | 37.4 Ų | 37.4 | 22% | 0.219 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -67 | 168.1 | 162.7 | 68.8 | -9.7 | 0 | 0 | 0 | 111.1 | D649 S650 A651 V849 L851 | D647-D649 VanDerWaalsContact C-N 3.29Å; D647-D649 PolarHBondContact O-N 2.98Å; D647-S650 PolarHBondContact O-N 2.68Å; D647-S650 WeakPolarHBondContact OD1-CA 3.48Å; D647-S650 WeakPolarHBondContact OD1-CB 3.32Å; D647-S650 PolarHBondContact OD1-N 3.42Å; D647-S650 PolarHBondContact OD1-OG 2.9Å; D647-A651 WeakPolarHBondContact O-CB 3.42Å; D647-A651 PolarHBondContact O-N 3.11Å; D647-V849 PolarHBondContact N-O 3.13Å; D647-L851 HydrophobicContact CB-CD1 4.4Å; D647-L851 HydrophobicContact CB-CD2 4.09Å; D647-L851 HydrophobicContact CB-CG 4.21Å |
| 648 | E | 75.8 | Confident | 85.7 | Confident | 135 Ų | 135 | 37.2 Ų | 37.2 | 63% | 0.631 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -62.6 | -37.2 | -172.5 | -66.4 | -174.9 | 179.3 | 0 | 0 | 112.4 | R652 | E648-R652 WeakPolarHBondContact O-CG 3.28Å; E648-R652 PolarHBondContact O-N 3.19Å; E648-R652 VanDerWaalsContact O-N 3.1Å |
| 649 | D | 78.5 | Confident | 84.8 | Confident | 98 Ų | 98 | 41.6 Ų | 41.6 | 52% | 0.524 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -72.4 | -47.1 | -179.5 | -63.3 | -36.2 | 0 | 0 | 0 | 111.7 | D647 A651 R652 H653 | D647-D649 VanDerWaalsContact C-N 3.29Å; D647-D649 PolarHBondContact O-N 2.98Å; D649-A651 VanDerWaalsContact C-N 3.28Å; D649-A651 PolarHBondContact O-N 3.45Å; D649-R652 PolarHBondContact O-N 2.81Å; D649-R652 IonicContact OD1-NH1 2.75Å; D649-H653 PolarHBondContact O-CD2 2.94Å; D649-H653 PolarHBondContact O-N 2.99Å; D649-H653 VanDerWaalsContact O-N 3.14Å |
| 650 | S | 82.6 | Confident | 84 | Confident | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.3 | -32.3 | 175.7 | -51.2 | 0 | 0 | 0 | 0 | 111.7 | D647 Y654 V849 | D647-S650 PolarHBondContact O-N 2.68Å; D647-S650 WeakPolarHBondContact OD1-CA 3.48Å; D647-S650 WeakPolarHBondContact OD1-CB 3.32Å; D647-S650 PolarHBondContact OD1-N 3.42Å; D647-S650 PolarHBondContact OD1-OG 2.9Å; S650-Y654 WeakPolarHBondContact O-CB 3.43Å; S650-Y654 PolarHBondContact O-N 3.23Å; S650-V849 PolarHBondContact OG-N 3.36Å |
| 651 | A | 81.6 | Confident | 83.1 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.2 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L646 D647 D649 Y654 L655 C839 | L646-A651 HydrophobicContact CB-CB 4.15Å; D647-A651 WeakPolarHBondContact O-CB 3.42Å; D647-A651 PolarHBondContact O-N 3.11Å; D649-A651 VanDerWaalsContact C-N 3.28Å; D649-A651 PolarHBondContact O-N 3.45Å; A651-Y654 PolarHBondContact O-N 3.48Å; A651-L655 VanDerWaalsContact O-CG 3.28Å; A651-L655 WeakPolarHBondContact O-CG 3.15Å; A651-L655 PolarHBondContact O-N 2.87Å; A651-C839 HydrophobicContact CB-CB 4.23Å |
| 652 | R | 82.4 | Confident | 82.1 | Confident | 143 Ų | 143 | 56.4 Ų | 56.4 | 54% | 0.54 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.9 | -50.4 | 174.8 | -74.6 | 175.6 | -173.7 | 154 | 4.6 | 111.8 | E648 D649 Y654 L655 E656 | E648-R652 WeakPolarHBondContact O-CG 3.28Å; E648-R652 PolarHBondContact O-N 3.19Å; E648-R652 VanDerWaalsContact O-N 3.1Å; D649-R652 PolarHBondContact O-N 2.81Å; D649-R652 IonicContact OD1-NH1 2.75Å; R652-Y654 VanDerWaalsContact C-N 3.25Å; R652-Y654 PolarHBondContact O-N 3.03Å; R652-L655 WeakPolarHBondContact O-CB 3.44Å; R652-L655 PolarHBondContact O-N 3.16Å; R652-E656 WeakPolarHBondContact O-CG 3.27Å; R652-E656 PolarHBondContact O-N 3.12Å |
| 653 | H | 82.4 | Confident | 81 | Confident | 113 Ų | 113 | 63.2 Ų | 63.2 | 52% | 0.523 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.3 | -38.8 | 177.1 | -74.8 | -51.3 | 0 | 0 | 0 | 112.7 | D649 E656 S657 | D649-H653 PolarHBondContact O-CD2 2.94Å; D649-H653 PolarHBondContact O-N 2.99Å; D649-H653 VanDerWaalsContact O-N 3.14Å; H653-E656 IonicContact ND1-OE2 2.72Å; H653-E656 PolarHBondContact ND1-OE2 3.35Å; H653-E656 PolarHBondContact O-N 3.32Å; H653-S657 WeakPolarHBondContact O-CB 3.44Å; H653-S657 PolarHBondContact O-N 2.92Å |
| 654 | Y | 83.7 | Confident | 80 | Confident | 12 Ų | 12 | 69.2 Ų | 69.2 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 174.6 | 166.8 | -106.4 | 0 | 0 | 0 | 112.7 | R519 L646 S650 A651 R652 L658 V841 Y848 | R519-Y654 PolarHBondContact NH1-OH 3.43Å; R519-Y654 PolarHBondContact NH2-OH 3.01Å; L646-Y654 HydrophobicContact CD1-CG 4.28Å; S650-Y654 WeakPolarHBondContact O-CB 3.43Å; S650-Y654 PolarHBondContact O-N 3.23Å; A651-Y654 PolarHBondContact O-N 3.48Å; R652-Y654 VanDerWaalsContact C-N 3.25Å; R652-Y654 PolarHBondContact O-N 3.03Å; Y654-L658 HydrophobicContact CD1-CD1 4.27Å; Y654-L658 HydrophobicContact CD2-CG 4.5Å; Y654-L658 HydrophobicContact CE1-CD1 3.58Å; Y654-L658 HydrophobicContact CE1-CG 4.45Å; Y654-L658 HydrophobicContact CE2-CD1 3.96Å; Y654-L658 HydrophobicContact CE2-CD2 4.34Å; Y654-L658 HydrophobicContact CE2-CG 4.04Å; Y654-L658 VanDerWaalsContact CZ-CD1 3.43Å; Y654-L658 WeakPolarHBondContact O-CG 3.44Å; Y654-L658 PolarHBondContact O-N 3.33Å; Y654-L658 VanDerWaalsContact O-N 3.09Å; Y654-V841 HydrophobicContact CD1-CG1 3.75Å; Y654-V841 HydrophobicContact CD2-CG1 3.82Å; Y654-V841 HydrophobicContact CE1-CG1 3.53Å; Y654-V841 HydrophobicContact CE2-CB 4.5Å; Y654-V841 HydrophobicContact CE2-CG1 3.6Å; Y654-V841 HydrophobicContact CG-CG1 3.85Å; Y654-V841 VanDerWaalsContact CZ-CG1 3.41Å; Y654-Y848 AromaticContact CD2-CE2 3.86Å; Y654-Y848 HydrophobicContact CD2-CE2 3.86Å; Y654-Y848 HydrophobicContact CG-CE2 4.43Å |
| 655 | L | 81.4 | Confident | 78.9 | Confident | 30 Ų | 30 | 75.4 Ų | 75.4 | 16% | 0.157 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 175.8 | -71.1 | 171.1 | 0 | 0 | 0 | 112.4 | I563 A651 R652 L658 L659 Q838 | I563-L655 HydrophobicContact CD1-CD2 4.45Å; I563-L655 HydrophobicContact CG2-CD2 4.04Å; A651-L655 VanDerWaalsContact O-CG 3.28Å; A651-L655 WeakPolarHBondContact O-CG 3.15Å; A651-L655 PolarHBondContact O-N 2.87Å; R652-L655 WeakPolarHBondContact O-CB 3.44Å; R652-L655 PolarHBondContact O-N 3.16Å; L655-L658 PolarHBondContact O-N 3.34Å; L655-L659 WeakPolarHBondContact O-CG 3.15Å; L655-L659 PolarHBondContact O-N 2.95Å; L655-Q838 HydrophobicContact CD1-CB 3.96Å; L655-Q838 HydrophobicContact CD1-CG 3.97Å; L655-Q838 HydrophobicContact CD2-CB 4.06Å; L655-Q838 HydrophobicContact CD2-CG 3.89Å; L655-Q838 HydrophobicContact CG-CB 4.46Å |
| 656 | E | 82.4 | Confident | 77.7 | Confident | 102 Ų | 102 | 76 Ų | 76 | 48% | 0.477 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.4 | -49.8 | 174.5 | -72 | 168.1 | 175.8 | 0 | 0 | 110.4 | R652 H653 L658 L659 E660 | R652-E656 WeakPolarHBondContact O-CG 3.27Å; R652-E656 PolarHBondContact O-N 3.12Å; H653-E656 IonicContact ND1-OE2 2.72Å; H653-E656 PolarHBondContact ND1-OE2 3.35Å; H653-E656 PolarHBondContact O-N 3.32Å; E656-L658 VanDerWaalsContact C-N 3.28Å; E656-L658 PolarHBondContact O-N 2.96Å; E656-L659 PolarHBondContact O-N 3.48Å; E656-L659 VanDerWaalsContact O-N 3.1Å; E656-E660 WeakPolarHBondContact O-CG 3.24Å; E656-E660 PolarHBondContact O-N 2.96Å |
| 657 | S | 82.1 | Confident | 76.5 | Confident | 26 Ų | 26 | 77.4 Ų | 77.4 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.4 | -36.6 | 176.2 | 175.7 | 0 | 0 | 0 | 0 | 112.9 | H653 E661 | H653-S657 WeakPolarHBondContact O-CB 3.44Å; H653-S657 PolarHBondContact O-N 2.92Å; S657-E661 WeakPolarHBondContact O-CG 3.34Å; S657-E661 PolarHBondContact O-N 3.09Å; S657-E661 VanDerWaalsContact O-N 3.1Å |
| 658 | L | 79.6 | Confident | 75.5 | Confident | 25 Ų | 25 | 81.2 Ų | 81.2 | 13% | 0.131 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -71.5 | -34.5 | 176.7 | -76 | 178.5 | 0 | 0 | 0 | 113.2 | I563 Y654 L655 E656 K662 | I563-L658 HydrophobicContact CD1-CD1 3.73Å; Y654-L658 HydrophobicContact CD1-CD1 4.27Å; Y654-L658 HydrophobicContact CD2-CG 4.5Å; Y654-L658 HydrophobicContact CE1-CD1 3.58Å; Y654-L658 HydrophobicContact CE1-CG 4.45Å; Y654-L658 HydrophobicContact CE2-CD1 3.96Å; Y654-L658 HydrophobicContact CE2-CD2 4.34Å; Y654-L658 HydrophobicContact CE2-CG 4.04Å; Y654-L658 VanDerWaalsContact CZ-CD1 3.43Å; Y654-L658 WeakPolarHBondContact O-CG 3.44Å; Y654-L658 PolarHBondContact O-N 3.33Å; Y654-L658 VanDerWaalsContact O-N 3.09Å; L655-L658 PolarHBondContact O-N 3.34Å; E656-L658 VanDerWaalsContact C-N 3.28Å; E656-L658 PolarHBondContact O-N 2.96Å; L658-K662 PolarHBondContact O-N 3.09Å; L658-K662 VanDerWaalsContact O-N 3.17Å |
| 659 | L | 76.2 | Confident | 74.8 | Confident | 92 Ų | 92 | 78.6 Ų | 78.6 | 48% | 0.482 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -70.3 | -38.7 | 177.1 | -70.8 | 170.4 | 0 | 0 | 0 | 110.7 | L655 E656 K662 Q663 | L655-L659 WeakPolarHBondContact O-CG 3.15Å; L655-L659 PolarHBondContact O-N 2.95Å; E656-L659 PolarHBondContact O-N 3.48Å; E656-L659 VanDerWaalsContact O-N 3.1Å; L659-K662 PolarHBondContact O-N 3.26Å; L659-Q663 WeakPolarHBondContact O-CG 3.42Å; L659-Q663 PolarHBondContact O-N 2.85Å |
| 660 | E | 78.1 | Confident | 73.8 | Confident | 112 Ų | 112 | 79.1 Ų | 79.1 | 52% | 0.523 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 173.8 | -70.5 | 174.7 | -179.7 | 0 | 0 | 111.9 | E656 K662 Q663 Q664 | E656-E660 WeakPolarHBondContact O-CG 3.24Å; E656-E660 PolarHBondContact O-N 2.96Å; E660-K662 VanDerWaalsContact C-N 3.31Å; E660-K662 PolarHBondContact O-N 2.95Å; E660-Q663 PolarHBondContact O-N 3.48Å; E660-Q664 WeakPolarHBondContact O-CG 3.3Å; E660-Q664 PolarHBondContact O-N 2.95Å |
| 661 | E | 75.4 | Confident | 72.7 | Confident | 91 Ų | 91 | 85.5 Ų | 85.5 | 43% | 0.425 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 176.2 | -76.8 | 173.7 | -171.6 | 0 | 0 | 111.3 | S657 Q663 Q664 E665 | S657-E661 WeakPolarHBondContact O-CG 3.34Å; S657-E661 PolarHBondContact O-N 3.09Å; S657-E661 VanDerWaalsContact O-N 3.1Å; E661-Q663 PolarHBondContact O-N 2.97Å; E661-Q664 PolarHBondContact O-N 3.05Å; E661-E665 WeakPolarHBondContact O-CG 3.28Å; E661-E665 PolarHBondContact O-N 3.39Å |
| 662 | K | 71.1 | Confident | 71.4 | Confident | 110 Ų | 110 | 91.4 Ų | 91.4 | 48% | 0.478 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.2 | -36.4 | 176.8 | -81.8 | -171.4 | 170.7 | -168.8 | 0 | 113.7 | L658 L659 E660 Q664 A666 | L658-K662 PolarHBondContact O-N 3.09Å; L658-K662 VanDerWaalsContact O-N 3.17Å; L659-K662 PolarHBondContact O-N 3.26Å; E660-K662 VanDerWaalsContact C-N 3.31Å; E660-K662 PolarHBondContact O-N 2.95Å; K662-Q664 VanDerWaalsContact C-N 3.34Å; K662-A666 WeakPolarHBondContact O-CB 3.39Å; K662-A666 PolarHBondContact O-N 3.17Å |
| 663 | Q | 69.6 | Low | 70.1 | Confident | 143 Ų | 143 | 89.1 Ų | 89.1 | 67% | 0.668 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -68.7 | -36.7 | 177.6 | -75.6 | 176.7 | 2.7 | 0 | 0 | 111.3 | L659 E660 E661 A666 G667 | L659-Q663 WeakPolarHBondContact O-CG 3.42Å; L659-Q663 PolarHBondContact O-N 2.85Å; E660-Q663 PolarHBondContact O-N 3.48Å; E661-Q663 PolarHBondContact O-N 2.97Å; Q663-A666 PolarHBondContact O-N 3.47Å; Q663-G667 PolarHBondContact O-N 3.37Å |
| 664 | Q | 70.4 | Confident | 68.8 | Low | 127 Ų | 127 | 90.4 Ų | 90.4 | 59% | 0.593 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.1 | -47.6 | 173.7 | -70.1 | 174 | 4 | 0 | 0 | 111.2 | E660 E661 K662 A666 G667 E668 | E660-Q664 WeakPolarHBondContact O-CG 3.3Å; E660-Q664 PolarHBondContact O-N 2.95Å; E661-Q664 PolarHBondContact O-N 3.05Å; K662-Q664 VanDerWaalsContact C-N 3.34Å; Q664-A666 VanDerWaalsContact C-N 3.29Å; Q664-A666 PolarHBondContact O-N 3.46Å; Q664-G667 PolarHBondContact O-N 3.16Å; Q664-G667 VanDerWaalsContact O-N 3.14Å; Q664-E668 PolarHBondContact O-N 3.35Å |
| 665 | E | 66.2 | Low | 67.3 | Low | 129 Ų | 129 | 92.9 Ų | 92.9 | 60% | 0.603 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.5 | -38.9 | 175.5 | -72.9 | -178.7 | 173 | 0 | 0 | 112.2 | E661 V669 | E661-E665 WeakPolarHBondContact O-CG 3.28Å; E661-E665 PolarHBondContact O-N 3.39Å; E665-V669 WeakPolarHBondContact O-CG2 3.31Å; E665-V669 PolarHBondContact O-N 3.46Å |
| 666 | A | 64.6 | Low | 65.7 | Low | 54 Ų | 54 | 97.5 Ų | 97.5 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.1 | -35.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K662 Q663 Q664 L670 | K662-A666 WeakPolarHBondContact O-CB 3.39Å; K662-A666 PolarHBondContact O-N 3.17Å; Q663-A666 PolarHBondContact O-N 3.47Å; Q664-A666 VanDerWaalsContact C-N 3.29Å; Q664-A666 PolarHBondContact O-N 3.46Å; A666-L670 WeakPolarHBondContact O-CG 3.37Å; A666-L670 PolarHBondContact O-N 2.76Å |
| 667 | G | 59.8 | Low | 64.3 | Low | 29 Ų | 29 | 98.2 Ų | 98.2 | 30% | 0.299 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q663 Q664 V669 L670 E671 | Q663-G667 PolarHBondContact O-N 3.37Å; Q664-G667 PolarHBondContact O-N 3.16Å; Q664-G667 VanDerWaalsContact O-N 3.14Å; G667-V669 VanDerWaalsContact C-N 3.32Å; G667-V669 PolarHBondContact O-N 3.12Å; G667-L670 PolarHBondContact O-N 3.1Å; G667-E671 PolarHBondContact O-N 3.38Å |
| 668 | E | 62 | Low | 62.7 | Low | 122 Ų | 122 | 105.6 Ų | 105.6 | 57% | 0.57 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.4 | -35 | 178.3 | -72.1 | -175.8 | 176.6 | 0 | 0 | 112.7 | Q664 Q672 | Q664-E668 PolarHBondContact O-N 3.35Å; E668-Q672 WeakPolarHBondContact O-CG 3.13Å; E668-Q672 PolarHBondContact O-N 2.78Å |
| 669 | V | 61 | Low | 61.1 | Low | 80 Ų | 80 | 112.9 Ų | 112.9 | 49% | 0.485 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.1 | -39.8 | 175.7 | 176 | 0 | 0 | 0 | 0 | 111.1 | E665 G667 Q672 D673 | E665-V669 WeakPolarHBondContact O-CG2 3.31Å; E665-V669 PolarHBondContact O-N 3.46Å; G667-V669 VanDerWaalsContact C-N 3.32Å; G667-V669 PolarHBondContact O-N 3.12Å; V669-Q672 PolarHBondContact O-N 3.04Å; V669-D673 PolarHBondContact O-N 2.77Å |
| 670 | L | 57.9 | Low | 59.2 | Low | 109 Ų | 109 | 111.7 Ų | 111.7 | 57% | 0.571 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.7 | -39.3 | 176 | -74.5 | 166.6 | 0 | 0 | 0 | 111.9 | A666 G667 Q672 D673 E674 | A666-L670 WeakPolarHBondContact O-CG 3.37Å; A666-L670 PolarHBondContact O-N 2.76Å; G667-L670 PolarHBondContact O-N 3.1Å; L670-Q672 VanDerWaalsContact C-N 3.33Å; L670-Q672 PolarHBondContact O-N 3.23Å; L670-D673 PolarHBondContact O-N 3.3Å; L670-E674 WeakPolarHBondContact O-CB 3.16Å; L670-E674 WeakPolarHBondContact O-CG 3.26Å; L670-E674 PolarHBondContact O-N 2.89Å |
| 671 | E | 58.3 | Low | 56.9 | Low | 143 Ų | 143 | 110.2 Ų | 110.2 | 67% | 0.668 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.6 | -35.3 | 174.2 | -74.1 | -173.7 | 174.4 | 0 | 0 | 112.3 | G667 A675 | G667-E671 PolarHBondContact O-N 3.38Å; E671-A675 VanDerWaalsContact O-CB 3.23Å; E671-A675 WeakPolarHBondContact O-CB 3.47Å; E671-A675 PolarHBondContact O-N 3.12Å |
| 672 | Q | 54.9 | Low | 54.9 | Low | 128 Ų | 128 | 115.3 Ų | 115.3 | 60% | 0.598 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.6 | -35.7 | 175 | -75 | 178.6 | 16.1 | 0 | 0 | 112.7 | E668 V669 L670 N676 | E668-Q672 WeakPolarHBondContact O-CG 3.13Å; E668-Q672 PolarHBondContact O-N 2.78Å; V669-Q672 PolarHBondContact O-N 3.04Å; L670-Q672 VanDerWaalsContact C-N 3.33Å; L670-Q672 PolarHBondContact O-N 3.23Å; Q672-N676 PolarHBondContact O-N 3.3Å |
| 673 | D | 54.9 | Low | 53 | Low | 95 Ų | 95 | 116.3 Ų | 116.3 | 51% | 0.508 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -73.3 | -40.4 | 175.9 | -76.5 | -20.6 | 0 | 0 | 0 | 111.3 | V669 L670 N676 V677 | V669-D673 PolarHBondContact O-N 2.77Å; L670-D673 PolarHBondContact O-N 3.3Å; D673-N676 PolarHBondContact O-N 2.95Å; D673-V677 VanDerWaalsContact O-CG2 3.32Å; D673-V677 WeakPolarHBondContact O-CG2 3.48Å; D673-V677 PolarHBondContact O-N 2.73Å |
| 674 | E | 55 | Low | 51.3 | Low | 139 Ų | 139 | 119.5 Ų | 119.5 | 65% | 0.65 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.4 | -40.1 | 174.8 | -75.1 | -172.3 | 169.1 | 0 | 0 | 112 | L670 N676 V677 | L670-E674 WeakPolarHBondContact O-CB 3.16Å; L670-E674 WeakPolarHBondContact O-CG 3.26Å; L670-E674 PolarHBondContact O-N 2.89Å; E674-N676 PolarHBondContact O-N 3.39Å; E674-V677 PolarHBondContact O-N 3.22Å; E674-V677 VanDerWaalsContact O-N 3.17Å |
| 675 | A | 51.5 | Low | 49.6 | Very low | 64 Ų | 64 | 117.7 Ų | 117.7 | 53% | 0.529 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -64.2 | -25.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E671 | E671-A675 VanDerWaalsContact O-CB 3.23Å; E671-A675 WeakPolarHBondContact O-CB 3.47Å; E671-A675 PolarHBondContact O-N 3.12Å |
| 676 | N | 49.7 | Very low | 48 | Very low | 128 Ų | 128 | 119.7 Ų | 119.7 | 68% | 0.684 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -84.9 | -20.8 | 175.8 | -93.8 | -18 | 0 | 0 | 0 | 113.7 | Q672 D673 E674 | Q672-N676 PolarHBondContact O-N 3.3Å; D673-N676 PolarHBondContact O-N 2.95Å; E674-N676 PolarHBondContact O-N 3.39Å |
| 677 | V | 51.1 | Low | 46.6 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 70% | 0.703 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -83.6 | -27.1 | -177.5 | 173.6 | 0 | 0 | 0 | 0 | 112.4 | D673 E674 Q679 | D673-V677 VanDerWaalsContact O-CG2 3.32Å; D673-V677 WeakPolarHBondContact O-CG2 3.48Å; D673-V677 PolarHBondContact O-N 2.73Å; E674-V677 PolarHBondContact O-N 3.22Å; E674-V677 VanDerWaalsContact O-N 3.17Å; V677-Q679 VanDerWaalsContact C-N 3.26Å; V677-Q679 PolarHBondContact O-N 2.81Å |
| 678 | E | 49.1 | Very low | 45.2 | Very low | 181 Ų | 181 | 135.3 Ų | 135.3 | 85% | 0.846 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -6.5 | -179.7 | -69.9 | -165.1 | 153.9 | 0 | 0 | 114.9 | ||
| 679 | Q | 45.9 | Very low | 43.8 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 10.3 | -175.7 | -73 | -166.4 | -0.8 | 0 | 0 | 116.7 | V677 | V677-Q679 VanDerWaalsContact C-N 3.26Å; V677-Q679 PolarHBondContact O-N 2.81Å |
| 680 | G | 36.5 | Very low | 42.4 | Very low | 66 Ų | 66 | 140.1 Ų | 140.1 | 68% | 0.68 | 74% | 0.74 | S | S | * | * | trans | -161.3 | 72.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 681 | G | 29 | Very low | 41 | Very low | 81 Ų | 81 | 143.5 Ų | 143.5 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | trans | -90.7 | 108.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 682 | E | 35 | Very low | 39.8 | Very low | 199 Ų | 199 | 145.4 Ų | 145.4 | 93% | 0.93 | 76% | 0.759 | S | S | * | * | trans | -156 | 135.5 | 149.4 | -113.1 | 175 | -158.1 | 0 | 0 | 110.8 | ||||
| 683 | T | 31.5 | Very low | 38.6 | Very low | 131 Ų | 131 | 148.1 Ų | 148.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -97.8 | 137.5 | -156.7 | -40.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 684 | F | 32.7 | Very low | 37.5 | Very low | 209 Ų | 209 | 152.6 Ų | 152.6 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | trans | -158.5 | 135.6 | 145.5 | -132.1 | -94.3 | 0 | 0 | 0 | 112.9 | ||||
| 685 | S | 35.3 | Very low | 36.8 | Very low | 90 Ų | 90 | 151.4 Ų | 151.4 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | -101.1 | 147.2 | -162.7 | 48.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 686 | E | 32.6 | Very low | 36 | Very low | 170 Ų | 170 | 157.4 Ų | 157.4 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 39.4 | 122 | 144.6 | -60.6 | -167.7 | 144.9 | 0 | 0 | 122.1 | ||||
| 687 | E | 33.9 | Very low | 35.7 | Very low | 200 Ų | 200 | 156.5 Ų | 156.5 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | -160.2 | 145 | 121.9 | -109.8 | 178 | -167.5 | 0 | 0 | 112 | |||||
| 688 | R | 32.2 | Very low | 34.8 | Very low | 212 Ų | 212 | 158.6 Ų | 158.6 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | trans | -95.4 | 142.4 | -160.3 | -58.5 | 169.4 | 174.4 | 176.4 | -3.2 | 113.8 | ||||
| 689 | K | 31.9 | Very low | 34.3 | Very low | 191 Ų | 191 | 155.9 Ų | 155.9 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | 148.7 | 136.2 | 117.3 | -82.4 | 179.6 | 179.6 | 175.6 | 0 | 114.9 | |||||
| 690 | S | 32.1 | Very low | 33.9 | Very low | 112 Ų | 112 | 157 Ų | 157 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | 71.3 | 104.9 | 154 | 56.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 691 | E | 28.8 | Very low | 34 | Very low | 180 Ų | 180 | 160.7 Ų | 160.7 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | 37.7 | 104.9 | 134.1 | -63.6 | -177.4 | 175.7 | 0 | 0 | 120.7 | ||||
| 692 | K | 31.2 | Very low | 34.5 | Very low | 183 Ų | 183 | 162.6 Ų | 162.6 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | 159.4 | 135.1 | 119.2 | -86.8 | 169.6 | -176 | 177.1 | 0 | 110.7 | |||||
| 693 | E | 31.6 | Very low | 34.7 | Very low | 184 Ų | 184 | 161 Ų | 161 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | 48.2 | 105 | 156.1 | -68.5 | 176.1 | 155.3 | 0 | 0 | 118.9 | ||||
| 694 | F | 31.8 | Very low | 35.2 | Very low | 189 Ų | 189 | 161.9 Ų | 161.9 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -112.7 | 122.9 | 156.8 | -95 | -83.6 | 0 | 0 | 0 | 110.9 | ||||
| 695 | P | 39.4 | Very low | 35.5 | Very low | 115 Ų | 115 | 161.3 Ų | 161.3 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | trans | -86.6 | 140.8 | 165.6 | 34 | -27.4 | 0 | 0 | 0 | 109.9 | ||||
| 696 | F | 34.7 | Very low | 35.5 | Very low | 190 Ų | 190 | 165.3 Ų | 165.3 | 83% | 0.833 | 81% | 0.805 | S | S | * | * | trans | -112.3 | 150.2 | 168.2 | -91 | -92.3 | 0 | 0 | 0 | 110.6 | ||||
| 697 | P | 42.6 | Very low | 35.7 | Very low | 108 Ų | 108 | 166.2 Ų | 166.2 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | -109.7 | 167.3 | -135.4 | 20.2 | 0.2 | 0 | 0 | 0 | 113.7 | V699 | P697-V699 PolarHBondContact O-N 3.5Š| ||
| 698 | D | 33.8 | Very low | 35.8 | Very low | 161 Ų | 161 | 162.3 Ų | 162.3 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -51.2 | 115.2 | 175.5 | -69 | -39 | 0 | 0 | 0 | 113.4 | ||||
| 699 | V | 38.3 | Very low | 35.8 | Very low | 124 Ų | 124 | 161.1 Ų | 161.1 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -102.4 | 104.1 | 160.2 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | P697 I701 | P697-V699 PolarHBondContact O-N 3.5Å; V699-I701 HydrophobicContact CG1-CG1 4.26Å | ||
| 700 | K | 36.8 | Very low | 35.8 | Very low | 202 Ų | 202 | 157.9 Ų | 157.9 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | trans | -73.2 | 120.6 | 168.5 | -74.5 | 177.8 | 178 | 173.7 | 0 | 109.3 | ||||
| 701 | I | 39.2 | Very low | 36 | Very low | 144 Ų | 144 | 158.1 Ų | 158.1 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | trans | -107 | 114.4 | 166.1 | -57.6 | 175.8 | 0 | 0 | 0 | 107.5 | V699 L703 | V699-I701 HydrophobicContact CG1-CG1 4.26Å; I701-L703 PolarHBondContact O-N 3.25Å | ||
| 702 | D | 39.1 | Very low | 36.1 | Very low | 120 Ų | 120 | 155.6 Ų | 155.6 | 64% | 0.642 | 80% | 0.802 | S | S | * | * | trans | -78.9 | 111.1 | -179.1 | -159.2 | 7.4 | 0 | 0 | 0 | 109.8 | K704 | D702-K704 PolarHBondContact O-N 2.85Å; D702-K704 IonicContact OD1-NZ 3.58Å; D702-K704 IonicContact OD2-NZ 3.77Å; D702-K704 PolarHBondContact OD2-NZ 3.46Å | ||
| 703 | L | 40.1 | Very low | 36.4 | Very low | 167 Ų | 167 | 154.2 Ų | 154.2 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -91.1 | 82.9 | 174.5 | -78 | 161 | 0 | 0 | 0 | 109.3 | I701 | I701-L703 PolarHBondContact O-N 3.25Š| ||
| 704 | K | 40.5 | Very low | 36.4 | Very low | 149 Ų | 149 | 154.6 Ų | 154.6 | 65% | 0.648 | 81% | 0.805 | S | S | * | * | trans | -122.9 | 47 | 173 | -75.6 | -178.9 | -171.5 | 150 | 0 | 113.2 | D702 | D702-K704 PolarHBondContact O-N 2.85Å; D702-K704 IonicContact OD1-NZ 3.58Å; D702-K704 IonicContact OD2-NZ 3.77Å; D702-K704 PolarHBondContact OD2-NZ 3.46Å | ||
| 705 | F | 40.1 | Very low | 36.4 | Very low | 196 Ų | 196 | 150.3 Ų | 150.3 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -148.6 | 103.9 | 162.1 | -66.5 | -76.6 | 0 | 0 | 0 | 107.6 | ||||
| 706 | L | 35.4 | Very low | 36.2 | Very low | 174 Ų | 174 | 153.4 Ų | 153.4 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | trans | 161.1 | 72.9 | 152.1 | -83.6 | 156.9 | 0 | 0 | 0 | 108.2 | ||||
| 707 | H | 35.3 | Very low | 36.1 | Very low | 190 Ų | 190 | 152.8 Ų | 152.8 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 133.1 | 159.3 | -85 | -83.6 | 0 | 0 | 0 | 108.8 | ||
| 708 | P | 36.2 | Very low | 35.6 | Very low | 118 Ų | 118 | 154.3 Ų | 154.3 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -91 | 116.1 | 167.6 | 31.7 | -24.4 | 0 | 0 | 0 | 109.9 | ||
| 709 | E | 33.9 | Very low | 35.6 | Very low | 186 Ų | 186 | 152.1 Ų | 152.1 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 133.1 | 165.3 | -74.7 | -89 | 147.7 | 0 | 0 | 110.1 | ||
| 710 | P | 31.5 | Very low | 35.4 | Very low | 123 Ų | 123 | 153.8 Ų | 153.8 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 122 | 170.5 | 34 | -23.9 | 0 | 0 | 0 | 110.6 | ||
| 711 | S | 35.4 | Very low | 35.4 | Very low | 117 Ų | 117 | 150.7 Ų | 150.7 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -132.7 | 109.8 | 165.4 | 63.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 712 | T | 32.1 | Very low | 35.4 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -60 | 130 | 162.7 | 37.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 713 | N | 35.9 | Very low | 35 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | 172.1 | 159.9 | 123.7 | -89.8 | -17.9 | 0 | 0 | 0 | 111.4 | |||||
| 714 | E | 32.3 | Very low | 34.8 | Very low | 192 Ų | 192 | 150.8 Ų | 150.8 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | 101 | 81.9 | 169.2 | -53.6 | -164.9 | 167.8 | 0 | 0 | 116.3 | ||||
| 715 | A | 32.6 | Very low | 34.5 | Very low | 98 Ų | 98 | 150.6 Ų | 150.6 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | trans | -63.3 | 129.7 | 151.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 716 | E | 34.2 | Very low | 34 | Very low | 181 Ų | 181 | 145 Ų | 145 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | 173.7 | 102.3 | 139.6 | -103.2 | -178.9 | 176.1 | 0 | 0 | 107.8 | ||||
| 717 | L | 33.2 | Very low | 33.8 | Very low | 177 Ų | 177 | 147.7 Ų | 147.7 | 93% | 0.927 | 82% | 0.821 | S | S | * | * | trans | 175.5 | 80 | 141.1 | -113.3 | 93.4 | 0 | 0 | 0 | 109.1 | ||||
| 718 | T | 30.7 | Very low | 33.6 | Very low | 140 Ų | 140 | 148.2 Ų | 148.2 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | trans | -132.9 | 108.3 | 164.1 | 47.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 719 | S | 34 | Very low | 33.1 | Very low | 115 Ų | 115 | 149.7 Ų | 149.7 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -177.9 | 166 | 144.4 | 58.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 720 | I | 35.2 | Very low | 32.9 | Very low | 158 Ų | 158 | 147 Ų | 147 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | trans | 89.9 | 58.3 | -175.4 | -37.1 | 166.9 | 0 | 0 | 0 | 114.9 | ||||
| 721 | V | 37 | Very low | 32.7 | Very low | 137 Ų | 137 | 152.3 Ų | 152.3 | 83% | 0.83 | 83% | 0.827 | S | S | * | * | trans | -137 | 114.4 | 131.4 | -175.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 722 | P | 38.3 | Very low | 32.5 | Very low | 112 Ų | 112 | 155.9 Ų | 155.9 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | trans | -77.2 | 142 | 177.1 | 30.2 | -30.5 | 0 | 0 | 0 | 110.7 | ||||
| 723 | P | 31.8 | Very low | 32.3 | Very low | 126 Ų | 126 | 155.2 Ų | 155.2 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -84.6 | 141 | 170.8 | 34.4 | -28.7 | 0 | 0 | 0 | 109 | ||||
| 724 | M | 34.5 | Very low | 32 | Very low | 196 Ų | 196 | 156.4 Ų | 156.4 | 97% | 0.966 | 83% | 0.827 | S | S | * | * | trans | -130.1 | 128.4 | 163.3 | -106.8 | -169.7 | 77 | 0 | 0 | 111.8 | ||||
| 725 | D | 34.6 | Very low | 31.9 | Very low | 145 Ų | 145 | 153.9 Ų | 153.9 | 78% | 0.775 | 82% | 0.818 | S | S | * | * | trans | -79.9 | 168.4 | -165.9 | -149.7 | -22.5 | 0 | 0 | 0 | 112.6 | ||||
| 726 | S | 30.9 | Very low | 31.9 | Very low | 79 Ų | 79 | 156.1 Ų | 156.1 | 55% | 0.552 | 81% | 0.812 | S | S | * | * | trans | -48.8 | 158.6 | -179 | 59.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 727 | R | 29.8 | Very low | 31.9 | Very low | 230 Ų | 230 | 153.3 Ų | 153.3 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | 69.4 | 96.2 | 156 | -65.6 | 166.2 | -173 | 174.7 | 3.5 | 117.4 | ||||
| 728 | K | 31.4 | Very low | 32.2 | Very low | 200 Ų | 200 | 148.1 Ų | 148.1 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | trans | -156.6 | 115.9 | 132.6 | -105.6 | 165.3 | -169.2 | -179.9 | 0 | 110.1 | V730 | K728-V730 PolarHBondContact O-N 2.99Š| ||
| 729 | T | 26.2 | Very low | 32.7 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | trans | -60.3 | 114 | 169.6 | 32.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 730 | V | 29.9 | Very low | 33.3 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | trans | -125.3 | 116.3 | 168 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | K728 Q732 | K728-V730 PolarHBondContact O-N 2.99Å; V730-Q732 PolarHBondContact O-N 3.29Å | ||
| 731 | R | 27.3 | Very low | 33.9 | Very low | 236 Ų | 236 | 146.9 Ų | 146.9 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | trans | -50.8 | 116.5 | 174.1 | -72.1 | 173.6 | 166.6 | 177.5 | -5.4 | 110.1 | V733 | R731-V733 PolarHBondContact O-N 3.36Å; R731-V733 VanDerWaalsContact O-N 3.1Å | ||
| 732 | Q | 30.1 | Very low | 34.5 | Very low | 191 Ų | 191 | 150.1 Ų | 150.1 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | -71.2 | 99.3 | 164.4 | -86.3 | -176.3 | -11.4 | 0 | 0 | 108.8 | V730 Q734 | V730-Q732 PolarHBondContact O-N 3.29Å; Q732-Q734 PolarHBondContact O-N 3.08Å | ||
| 733 | V | 29 | Very low | 35 | Very low | 115 Ų | 115 | 153 Ų | 153 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | trans | -73.4 | 110.5 | 160.8 | 178.2 | 0 | 0 | 0 | 0 | 106.9 | R731 I735 | R731-V733 PolarHBondContact O-N 3.36Å; R731-V733 VanDerWaalsContact O-N 3.1Å; V733-I735 HydrophobicContact CG1-CG1 3.93Å; V733-I735 PolarHBondContact O-N 2.68Å | ||
| 734 | Q | 29.2 | Very low | 35.9 | Very low | 178 Ų | 178 | 153.2 Ų | 153.2 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | -62.5 | 98.6 | 165.8 | -82.1 | 176.2 | -18.4 | 0 | 0 | 109 | Q732 Q736 | Q732-Q734 PolarHBondContact O-N 3.08Å; Q734-Q736 PolarHBondContact O-N 2.92Å | ||
| 735 | I | 31.1 | Very low | 36.9 | Very low | 139 Ų | 139 | 153.7 Ų | 153.7 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | -87.9 | 101.4 | 170.3 | -59.2 | 177.7 | 0 | 0 | 0 | 107.6 | V733 | V733-I735 HydrophobicContact CG1-CG1 3.93Å; V733-I735 PolarHBondContact O-N 2.68Å | ||
| 736 | Q | 31.1 | Very low | 37.9 | Very low | 146 Ų | 146 | 156.1 Ų | 156.1 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | trans | -61.5 | 141.4 | 173.9 | -62.7 | 179.3 | 27.1 | 0 | 0 | 110.8 | Q734 A738 | Q734-Q736 PolarHBondContact O-N 2.92Å; Q736-A738 PolarHBondContact O-N 3.27Å | ||
| 737 | P | 35.6 | Very low | 39.3 | Very low | 122 Ų | 122 | 159.9 Ų | 159.9 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 8.5 | -175.7 | -16.4 | 29.8 | 0 | 0 | 0 | 115.8 | ||
| 738 | A | 38.8 | Very low | 40.7 | Very low | 67 Ų | 67 | 153.8 Ų | 153.8 | 55% | 0.554 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -85 | -23 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q736 | Q736-A738 PolarHBondContact O-N 3.27Å |
| 739 | A | 42 | Very low | 41.9 | Very low | 69 Ų | 69 | 152.2 Ų | 152.2 | 57% | 0.57 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -78.5 | -30.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R742 | A739-R742 PolarHBondContact O-N 3.02Å |
| 740 | I | 46.6 | Very low | 43.3 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 65% | 0.646 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -75.4 | -37.1 | -179 | -61.5 | 172.1 | 0 | 0 | 0 | 110.8 | R742 K743 E744 | I740-R742 PolarHBondContact O-N 2.84Å; I740-K743 PolarHBondContact O-N 2.94Å; I740-E744 PolarHBondContact O-N 2.79Å |
| 741 | R | 46.7 | Very low | 44.8 | Very low | 192 Ų | 192 | 150.6 Ų | 150.6 | 73% | 0.725 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -63.3 | -23.6 | 175 | -95.8 | 180 | 165 | -174.7 | -2.7 | 114 | R745 | R741-R745 WeakPolarHBondContact O-CG 3.11Å; R741-R745 PolarHBondContact O-N 3.47Å |
| 742 | R | 48.7 | Very low | 46.1 | Very low | 205 Ų | 205 | 146.3 Ų | 146.3 | 77% | 0.774 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -81.9 | -30.3 | -177.7 | -147.4 | 174.7 | -174.7 | 176.5 | 1.1 | 112.6 | A739 I740 R746 | A739-R742 PolarHBondContact O-N 3.02Å; I740-R742 PolarHBondContact O-N 2.84Å; R742-R746 PolarHBondContact O-N 2.95Å |
| 743 | K | 49.3 | Very low | 47 | Very low | 174 Ų | 174 | 143.5 Ų | 143.5 | 76% | 0.757 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -74.8 | -38.6 | 174.1 | -93.2 | -178 | 175.6 | 177.5 | 0 | 112.3 | I740 R746 K747 | I740-K743 PolarHBondContact O-N 2.94Å; K743-R746 PolarHBondContact O-N 2.96Å; K743-K747 PolarHBondContact O-N 3.16Å |
| 744 | E | 51.5 | Low | 48.1 | Very low | 129 Ų | 129 | 144.6 Ų | 144.6 | 60% | 0.603 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69.3 | -40.7 | 176.8 | -72.2 | -177.8 | 153.4 | 0 | 0 | 112.8 | I740 R746 K747 L748 | I740-E744 PolarHBondContact O-N 2.79Å; E744-R746 PolarHBondContact O-N 2.85Å; E744-K747 PolarHBondContact O-N 2.94Å; E744-L748 PolarHBondContact O-N 2.9Å |
| 745 | R | 55.3 | Low | 49.1 | Very low | 206 Ų | 206 | 139.2 Ų | 139.2 | 78% | 0.777 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -63.4 | -27.4 | 173.7 | -77.2 | 179 | 90.3 | -168.3 | 7.4 | 113 | R741 R749 | R741-R745 WeakPolarHBondContact O-CG 3.11Å; R741-R745 PolarHBondContact O-N 3.47Å; R745-R749 VanDerWaalsContact O-CB 3.3Å; R745-R749 WeakPolarHBondContact O-CB 3.39Å; R745-R749 PolarHBondContact O-N 3.23Å |
| 746 | R | 55.6 | Low | 49.6 | Very low | 196 Ų | 196 | 139.2 Ų | 139.2 | 74% | 0.74 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -74.4 | -40.1 | 175.2 | -105.4 | 179.4 | 158 | 175.8 | -5.7 | 112.2 | R742 K743 E744 R749 N750 | R742-R746 PolarHBondContact O-N 2.95Å; K743-R746 PolarHBondContact O-N 2.96Å; E744-R746 PolarHBondContact O-N 2.85Å; R746-R749 PolarHBondContact O-N 2.92Å; R746-N750 PolarHBondContact O-N 2.77Å |
| 747 | K | 61 | Low | 50.2 | Low | 158 Ų | 158 | 140.9 Ų | 140.9 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -64.3 | -46.6 | 173.6 | -77 | -173.2 | 173.5 | -173.6 | 0 | 111.9 | K743 E744 R749 N750 E751 | K743-K747 PolarHBondContact O-N 3.16Å; E744-K747 PolarHBondContact O-N 2.94Å; K747-R749 VanDerWaalsContact C-N 3.27Å; K747-R749 PolarHBondContact O-N 2.84Å; K747-N750 PolarHBondContact O-N 2.93Å; K747-N750 VanDerWaalsContact O-N 3.13Å; K747-E751 PolarHBondContact O-N 3.43Å |
| 748 | L | 57.5 | Low | 50.4 | Low | 102 Ų | 102 | 144 Ų | 144 | 53% | 0.534 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -64.4 | -29.4 | 178.8 | -135.3 | 90.9 | 0 | 0 | 0 | 113.3 | E744 K752 | E744-L748 PolarHBondContact O-N 2.9Å; L748-K752 WeakPolarHBondContact O-CB 3.4Å; L748-K752 WeakPolarHBondContact O-CG 3.32Å; L748-K752 PolarHBondContact O-N 3.1Å |
| 749 | R | 56.8 | Low | 50.2 | Low | 168 Ų | 168 | 148.2 Ų | 148.2 | 63% | 0.634 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -76.8 | -29.7 | 176.7 | -168.8 | 177.2 | 174.2 | -159.2 | -2.6 | 112.3 | R745 R746 K747 K753 | R745-R749 VanDerWaalsContact O-CB 3.3Å; R745-R749 WeakPolarHBondContact O-CB 3.39Å; R745-R749 PolarHBondContact O-N 3.23Å; R746-R749 PolarHBondContact O-N 2.92Å; K747-R749 VanDerWaalsContact C-N 3.27Å; K747-R749 PolarHBondContact O-N 2.84Å; R749-K753 WeakPolarHBondContact O-CB 3.45Å; R749-K753 WeakPolarHBondContact O-CG 3.4Å; R749-K753 PolarHBondContact O-N 2.84Å |
| 750 | N | 56.7 | Low | 49.8 | Very low | 113 Ų | 113 | 149.6 Ų | 149.6 | 60% | 0.604 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -77 | -37.8 | 173.9 | -80.5 | 0.3 | 0 | 0 | 0 | 111.9 | R746 K747 K753 L754 | R746-N750 PolarHBondContact O-N 2.77Å; K747-N750 PolarHBondContact O-N 2.93Å; K747-N750 VanDerWaalsContact O-N 3.13Å; N750-K753 PolarHBondContact O-N 2.97Å; N750-L754 PolarHBondContact O-N 3.46Å |
| 751 | E | 60.7 | Low | 48.9 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 61% | 0.607 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -65.4 | -40.6 | 174.4 | -75.9 | 173.2 | 166.7 | 0 | 0 | 112.3 | K747 K753 L754 A755 | K747-E751 PolarHBondContact O-N 3.43Å; E751-K753 VanDerWaalsContact C-N 3.33Å; E751-K753 PolarHBondContact O-N 3.08Å; E751-L754 PolarHBondContact O-N 3.49Å; E751-A755 WeakPolarHBondContact O-CB 3.31Å; E751-A755 PolarHBondContact O-N 3.37Å |
| 752 | K | 54.2 | Low | 48.2 | Very low | 147 Ų | 147 | 146 Ų | 146 | 64% | 0.639 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -67.9 | -30 | 174.3 | -75.7 | -174.5 | 176.2 | -170.3 | 0 | 113.6 | L748 N756 | L748-K752 WeakPolarHBondContact O-CB 3.4Å; L748-K752 WeakPolarHBondContact O-CG 3.32Å; L748-K752 PolarHBondContact O-N 3.1Å; K752-N756 WeakPolarHBondContact O-CB 3.4Å; K752-N756 PolarHBondContact O-N 3.46Å |
| 753 | K | 49 | Very low | 47.4 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 57% | 0.57 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -74.2 | -29.8 | 173.5 | -80.4 | -176.7 | 172.8 | -164.8 | 0 | 112.7 | R749 N750 E751 | R749-K753 WeakPolarHBondContact O-CB 3.45Å; R749-K753 WeakPolarHBondContact O-CG 3.4Å; R749-K753 PolarHBondContact O-N 2.84Å; N750-K753 PolarHBondContact O-N 2.97Å; E751-K753 VanDerWaalsContact C-N 3.33Å; E751-K753 PolarHBondContact O-N 3.08Å |
| 754 | L | 52.8 | Low | 46.4 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 73% | 0.728 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -79.6 | -30.2 | 176.6 | -148.1 | 72.8 | 0 | 0 | 0 | 112.3 | N750 E751 | N750-L754 PolarHBondContact O-N 3.46Å; E751-L754 PolarHBondContact O-N 3.49Å |
| 755 | A | 49.8 | Very low | 45.4 | Very low | 65 Ų | 65 | 138 Ų | 138 | 54% | 0.537 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -76.9 | -34.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E751 K757 | E751-A755 WeakPolarHBondContact O-CB 3.31Å; E751-A755 PolarHBondContact O-N 3.37Å; A755-K757 VanDerWaalsContact C-N 3.29Å; A755-K757 PolarHBondContact O-N 2.86Å |
| 756 | N | 42.6 | Very low | 44.4 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -3.7 | 178.9 | -109 | 23.6 | 0 | 0 | 0 | 114.8 | K752 | K752-N756 WeakPolarHBondContact O-CB 3.4Å; K752-N756 PolarHBondContact O-N 3.46Å |
| 757 | K | 42.4 | Very low | 43.2 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -0.7 | 177.1 | -144.4 | 177 | -177.2 | -174.2 | 0 | 113.2 | A755 | A755-K757 VanDerWaalsContact C-N 3.29Å; A755-K757 PolarHBondContact O-N 2.86Å |
| 758 | K | 40.5 | Very low | 41.8 | Very low | 188 Ų | 188 | 133.1 Ų | 133.1 | 82% | 0.817 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -104.8 | 7.7 | 179.2 | -79.7 | -170.2 | 172.2 | -172.7 | 0 | 114.4 | ||
| 759 | N | 34.8 | Very low | 40.6 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -131.5 | 26.3 | -173.3 | -116 | 17.6 | 0 | 0 | 0 | 114.9 | ||
| 760 | S | 32.5 | Very low | 39.3 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -135.9 | 105.5 | 174.7 | 62 | 0 | 0 | 0 | 0 | 111.3 | ||
| 761 | G | 29.2 | Very low | 38 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | trans | 77.6 | 103.8 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 762 | L | 31.4 | Very low | 36.6 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | trans | -141.3 | 121.2 | 146 | -93.7 | 109.6 | 0 | 0 | 0 | 109.4 | ||||
| 763 | P | 31.4 | Very low | 35.6 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | -84.5 | 163.8 | 155.1 | 34.3 | -25.8 | 0 | 0 | 0 | 110.7 | ||||
| 764 | A | 29.6 | Very low | 34.9 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -46.3 | 141 | -177.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 765 | V | 30.5 | Very low | 33.9 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | trans | 93.5 | 133.5 | 131.7 | 174.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 766 | K | 33.6 | Very low | 33 | Very low | 177 Ų | 177 | 134.3 Ų | 134.3 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | 80.2 | 111.2 | 162.9 | -77.8 | 160.5 | -171.6 | -168.6 | 0 | 118.2 | ||||
| 767 | E | 29.6 | Very low | 32.5 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | 63.3 | 127.7 | 83.6 | -91.5 | -169.8 | 173 | 0 | 0 | 111.8 | |||||
| 768 | V | 32.2 | Very low | 31.8 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 63% | 0.63 | 77% | 0.774 | S | S | * | * | cis | -161.8 | 166.4 | 14.4 | 152.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 769 | E | 31.7 | Very low | 31.3 | Very low | 174 Ų | 174 | 133.2 Ų | 133.2 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | 71.7 | 114.2 | 159.4 | -86.2 | 153.8 | -164.5 | 0 | 0 | 119.9 | ||||
| 770 | A | 30.3 | Very low | 31.2 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | 52.5 | 112 | 72.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 771 | T | 30.2 | Very low | 31 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | -172.9 | 163.6 | 64.3 | 37.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 772 | E | 31.6 | Very low | 31.3 | Very low | 194 Ų | 194 | 135.4 Ų | 135.4 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | 86.1 | 131.9 | 152.2 | -77.2 | 171 | -172.8 | 0 | 0 | 122.2 | ||||
| 773 | A | 31.5 | Very low | 31.2 | Very low | 90 Ų | 90 | 134.7 Ų | 134.7 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | -115.7 | -165.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 774 | P | 35.7 | Very low | 31.4 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | -126.3 | 163.5 | -65.7 | 34.5 | -19.5 | 0 | 0 | 0 | 112 | |||||
| 775 | S | 31.6 | Very low | 31.5 | Very low | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -173.7 | 123.9 | 148.1 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 776 | T | 29.4 | Very low | 31.5 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | 19 | 127.1 | 137.5 | 47.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 777 | E | 32.8 | Very low | 31.6 | Very low | 192 Ų | 192 | 134 Ų | 134 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | -179.8 | 172.2 | 109.6 | -100.5 | -177.4 | -177.8 | 0 | 0 | 113.5 | |||||
| 778 | S | 28.2 | Very low | 31.8 | Very low | 90 Ų | 90 | 134.5 Ų | 134.5 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | trans | -103 | 164.5 | -145.9 | 51 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 779 | K | 29.9 | Very low | 31.5 | Very low | 202 Ų | 202 | 137.8 Ų | 137.8 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | trans | 77.7 | 119.1 | 144.1 | -79.3 | 167.9 | -178.1 | -177.9 | 0 | 120.9 | ||||
| 780 | A | 32.6 | Very low | 31.6 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | 167.8 | 102.6 | 123.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 781 | V | 29.1 | Very low | 31.4 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 78% | 0.782 | 82% | 0.818 | S | S | * | * | 49 | 105.3 | 89.5 | -173.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 782 | V | 34.4 | Very low | 31.6 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | trans | -153.5 | 137.5 | 130.6 | 178.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 783 | E | 29.2 | Very low | 31.6 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | trans | -76.6 | 157.3 | -171.3 | -63.5 | 162.8 | 128.4 | 0 | 0 | 115.6 | ||||
| 784 | N | 34.8 | Very low | 31.3 | Very low | 172 Ų | 172 | 138 Ų | 138 | 92% | 0.92 | 81% | 0.813 | S | S | * | * | -171.7 | 118.3 | 122.3 | -93.4 | -33.7 | 0 | 0 | 0 | 110.6 | |||||
| 785 | G | 32.4 | Very low | 31.1 | Very low | 72 Ų | 72 | 139 Ų | 139 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 173.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 786 | P | 31.7 | Very low | 30.9 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 145.5 | -176.8 | 36.9 | -28.3 | 0 | 0 | 0 | 113 | ||
| 787 | S | 34.8 | Very low | 30.8 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 153.4 | -179.1 | 20.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 788 | E | 32.8 | Very low | 30.6 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 159.8 | -157.1 | -64.8 | 162.4 | 134.3 | 0 | 0 | 116.2 | ||
| 789 | L | 27 | Very low | 30.7 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 136.4 | 156.3 | -79.1 | 155.9 | 0 | 0 | 0 | 107.7 | ||
| 790 | P | 34.7 | Very low | 30.5 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -99 | 131 | 169.5 | 15.1 | 2.6 | 0 | 0 | 0 | 112.9 | ||
| 791 | E | 25.8 | Very low | 30.5 | Very low | 190 Ų | 190 | 140.4 Ų | 140.4 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94 | 134.1 | 155.3 | -77.3 | -178.1 | 152.9 | 0 | 0 | 109.3 | ||
| 792 | L | 34.7 | Very low | 30.4 | Very low | 168 Ų | 168 | 138 Ų | 138 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | trans | -152 | 111.7 | 158.7 | -72.3 | 174.4 | 0 | 0 | 0 | 106.1 | ||||
| 793 | A | 29.8 | Very low | 30.3 | Very low | 87 Ų | 87 | 138 Ų | 138 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | 78.2 | 105.5 | 68.4 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 794 | S | 26.8 | Very low | 30.2 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | 46.3 | 123.7 | 138.2 | 59.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 795 | N | 31.2 | Very low | 29.9 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | 158.4 | 121.5 | 126.8 | -77.6 | -7.5 | 0 | 0 | 0 | 108.6 | |||||
| 796 | E | 27.6 | Very low | 29.8 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | 44.3 | 118.2 | 96.8 | -69.6 | -178.4 | 174.4 | 0 | 0 | 110.7 | |||||
| 797 | E | 26.5 | Very low | 29.6 | Very low | 170 Ų | 170 | 143 Ų | 143 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | 177.6 | 155.5 | 50.1 | -132.1 | -179.6 | -174.9 | 0 | 0 | 107.8 | |||||
| 798 | V | 27.8 | Very low | 29.3 | Very low | 114 Ų | 114 | 146 Ų | 146 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | trans | 39.6 | 117.9 | 156.3 | -128.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 799 | D | 31.2 | Very low | 29.1 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | -170.9 | 131.3 | 111.9 | -102.1 | -21.5 | 0 | 0 | 0 | 113.4 | |||||
| 800 | A | 26.6 | Very low | 29.1 | Very low | 90 Ų | 90 | 144.4 Ų | 144.4 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | trans | -98.1 | 119.5 | 177 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 801 | V | 31.1 | Very low | 28.9 | Very low | 136 Ų | 136 | 149.7 Ų | 149.7 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | -146.8 | 113.6 | 158.3 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 802 | A | 27.5 | Very low | 29 | Very low | 77 Ų | 77 | 149.6 Ų | 149.6 | 64% | 0.636 | 82% | 0.819 | S | S | * | * | trans | 7.9 | 126.5 | 150 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 803 | V | 32.7 | Very low | 28.8 | Very low | 147 Ų | 147 | 149.2 Ų | 149.2 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | -133 | 92.3 | 133.4 | -177 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 804 | E | 26.6 | Very low | 28.8 | Very low | 171 Ų | 171 | 154.5 Ų | 154.5 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | trans | -63.6 | 149 | 155.6 | -65.1 | -176.7 | 149.9 | 0 | 0 | 108.8 | ||||
| 805 | E | 28.1 | Very low | 28.9 | Very low | 193 Ų | 193 | 152.7 Ų | 152.7 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | 132.7 | 80.5 | 165.4 | -76.7 | -179.9 | -178.8 | 0 | 0 | 111.8 | ||||
| 806 | A | 30.7 | Very low | 28.8 | Very low | 104 Ų | 104 | 154.9 Ų | 154.9 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -179.5 | 55.1 | 143.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 807 | D | 27.2 | Very low | 28.9 | Very low | 169 Ų | 169 | 151.7 Ų | 151.7 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | trans | -140.7 | 63.2 | 172.8 | -139.8 | 6.4 | 0 | 0 | 0 | 108.9 | ||||
| 808 | E | 28.3 | Very low | 29.1 | Very low | 190 Ų | 190 | 148.6 Ų | 148.6 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | trans | -158.7 | 81 | 172.1 | -123.5 | 177.6 | -166.5 | 0 | 0 | 110.1 | ||||
| 809 | M | 29.6 | Very low | 29.4 | Very low | 194 Ų | 194 | 149.8 Ų | 149.8 | 96% | 0.956 | 83% | 0.831 | S | S | * | * | trans | -160.3 | 62.6 | 158 | -110 | 177.2 | 74.4 | 0 | 0 | 108.2 | ||||
| 810 | T | 27.3 | Very low | 29.3 | Very low | 134 Ų | 134 | 150.5 Ų | 150.5 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | -125.1 | 93.5 | 163 | 44.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 811 | R | 29.3 | Very low | 29.6 | Very low | 234 Ų | 234 | 154.3 Ų | 154.3 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | trans | 172.5 | 143.1 | 150.4 | -96.9 | 156.7 | -173.6 | 166.2 | 3.5 | 109.2 | ||||
| 812 | E | 29.1 | Very low | 30 | Very low | 188 Ų | 188 | 151.8 Ų | 151.8 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | 80.7 | 82.4 | 168.4 | -59.4 | 168.1 | -152.2 | 0 | 0 | 116.2 | ||||
| 813 | D | 30.7 | Very low | 30.6 | Very low | 161 Ų | 161 | 154.5 Ų | 154.5 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | -155.6 | 94.8 | 127.1 | -138.6 | -5.3 | 0 | 0 | 0 | 110.2 | |||||
| 814 | E | 29 | Very low | 30.9 | Very low | 197 Ų | 197 | 154.6 Ų | 154.6 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -84.6 | 123.9 | 160.5 | -75.3 | -165.9 | 150.8 | 0 | 0 | 108 | ||||
| 815 | G | 28 | Very low | 31.7 | Very low | 65 Ų | 65 | 150.6 Ų | 150.6 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | trans | 110.4 | 85.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 816 | Q | 29.9 | Very low | 32.7 | Very low | 186 Ų | 186 | 144.1 Ų | 144.1 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | -162.6 | 135.4 | 138 | -105.2 | 150 | 12.6 | 0 | 0 | 109.7 | ||||
| 817 | P | 28.7 | Very low | 33.8 | Very low | 106 Ų | 106 | 142 Ų | 142 | 69% | 0.688 | 75% | 0.746 | S | S | * | * | trans | -70.8 | 133.2 | -175.8 | 30.7 | -31.3 | 0 | 0 | 0 | 109.2 | D819 | P817-D819 PolarHBondContact O-N 3.21Å; P817-D819 VanDerWaalsContact O-N 3.09Å | ||
| 818 | A | 31.7 | Very low | 35.6 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 88% | 0.876 | 71% | 0.712 | S | S | * | * | trans | -71.4 | 103.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | E820 | A818-E820 PolarHBondContact O-N 3.45Š| ||
| 819 | D | 33 | Very low | 37.7 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | trans | -54.8 | 119.6 | 171.1 | -68 | -40.9 | 0 | 0 | 0 | 111.5 | P817 E821 | P817-D819 PolarHBondContact O-N 3.21Å; P817-D819 VanDerWaalsContact O-N 3.09Å; D819-E821 PolarHBondContact O-N 3.41Å | ||
| 820 | E | 29.6 | Very low | 39.5 | Very low | 175 Ų | 175 | 119 Ų | 119 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | trans | 31.6 | 81 | 133.9 | -59.9 | -179.4 | 169.4 | 0 | 0 | 119.2 | A818 | A818-E820 PolarHBondContact O-N 3.45Š| ||
| 821 | E | 32.6 | Very low | 41.7 | Very low | 170 Ų | 170 | 119 Ų | 119 | 79% | 0.794 | 63% | 0.629 | S | S | * | * | trans | -145.1 | 67.4 | 146.1 | -76 | -156.3 | 174.1 | 0 | 0 | 113.3 | D819 | D819-E821 PolarHBondContact O-N 3.41Š| ||
| 822 | P | 39.7 | Very low | 43.9 | Very low | 82 Ų | 82 | 111 Ų | 111 | 53% | 0.532 | 60% | 0.601 | S | S | . | * | trans | -96.4 | -22.7 | 177.6 | -1.4 | 22.8 | 0 | 0 | 0 | 114.9 | V826 | P822-V826 WeakPolarHBondContact O-CG2 3.21Š| ||
| 823 | D | 41.2 | Very low | 46.2 | Very low | 135 Ų | 135 | 102.1 Ų | 102.1 | 72% | 0.722 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -82.9 | -30.1 | -157.3 | -67.5 | -22.5 | 0 | 0 | 0 | 114.7 | ||
| 824 | E | 38.5 | Very low | 48.4 | Very low | 149 Ų | 149 | 96.7 Ų | 96.7 | 70% | 0.696 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -76.8 | -34.2 | -179.3 | -68.9 | -165.9 | 171.4 | 0 | 0 | 113.6 | V826 S827 | E824-V826 PolarHBondContact O-N 2.79Å; E824-S827 PolarHBondContact O-OG 3.42Å |
| 825 | E | 42.5 | Very low | 50.9 | Low | 87 Ų | 87 | 90.1 Ų | 90.1 | 41% | 0.407 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.8 | -26.1 | 176.5 | -69.7 | -165.5 | 166.4 | 0 | 0 | 111.7 | T828 | E825-T828 PolarHBondContact O-OG1 3.04Å |
| 826 | V | 49.8 | Very low | 53.3 | Low | 57 Ų | 57 | 87.1 Ų | 87.1 | 35% | 0.345 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -73 | -38.3 | -175.3 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | P822 E824 | P822-V826 WeakPolarHBondContact O-CG2 3.21Å; E824-V826 PolarHBondContact O-N 2.79Å |
| 827 | S | 54.2 | Low | 55.7 | Low | 58 Ų | 58 | 78.3 Ų | 78.3 | 41% | 0.406 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -70.9 | -39.3 | -177.6 | 63.5 | 0 | 0 | 0 | 0 | 112.5 | E824 V829 A830 E831 | E824-S827 PolarHBondContact O-OG 3.42Å; S827-V829 PolarHBondContact O-N 2.73Å; S827-A830 WeakPolarHBondContact O-CB 3.25Å; S827-A830 PolarHBondContact O-N 3.34Å; S827-E831 PolarHBondContact O-N 3.35Å; S827-E831 VanDerWaalsContact O-N 3.07Å |
| 828 | T | 64.1 | Low | 58.3 | Low | 28 Ų | 28 | 75.8 Ų | 75.8 | 17% | 0.172 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.3 | -40.8 | -175 | 64.6 | 0 | 0 | 0 | 0 | 113 | F45 E825 A830 E831 E832 | F45-T828 HydrophobicContact CZ-CG2 4.23Å; E825-T828 PolarHBondContact O-OG1 3.04Å; T828-A830 VanDerWaalsContact C-N 3.25Å; T828-A830 PolarHBondContact O-N 2.81Å; T828-E831 PolarHBondContact O-N 3.24Å; T828-E832 WeakPolarHBondContact O-CG 3.35Å; T828-E832 PolarHBondContact O-N 3.36Å |
| 829 | V | 72.4 | Confident | 60.9 | Low | 25 Ų | 25 | 71.2 Ų | 71.2 | 15% | 0.152 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 176.6 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | W507 Y538 S827 T833 | W507-V829 HydrophobicContact CH2-CG1 4.34Å; W507-V829 HydrophobicContact CZ2-CG1 3.7Å; Y538-V829 HydrophobicContact CD1-CG1 4.06Å; Y538-V829 HydrophobicContact CE1-CG1 4.25Å; Y538-V829 HydrophobicContact CE1-CG2 4.28Å; S827-V829 PolarHBondContact O-N 2.73Å; V829-T833 VanDerWaalsContact O-CB 3.26Å; V829-T833 WeakPolarHBondContact O-CB 3.37Å; V829-T833 PolarHBondContact O-N 3.46Å; V829-T833 PolarHBondContact O-OG1 3.32Å |
| 830 | A | 69.3 | Low | 63.6 | Low | 17 Ų | 17 | 64.7 Ų | 64.7 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E561 S827 T828 T833 L834 | E561-A830 HydrophobicContact CG-CB 4.23Å; E561-A830 WeakPolarHBondContact OE1-CA 3.28Å; E561-A830 WeakPolarHBondContact OE1-CB 3.49Å; E561-A830 WeakPolarHBondContact OE2-CA 3.24Å; S827-A830 WeakPolarHBondContact O-CB 3.25Å; S827-A830 PolarHBondContact O-N 3.34Å; T828-A830 VanDerWaalsContact C-N 3.25Å; T828-A830 PolarHBondContact O-N 2.81Å; A830-T833 PolarHBondContact O-N 2.95Å; A830-L834 WeakPolarHBondContact O-CB 3.29Å; A830-L834 PolarHBondContact O-N 3.33Å |
| 831 | E | 71.6 | Confident | 66.5 | Low | 136 Ų | 136 | 56.4 Ų | 56.4 | 64% | 0.636 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.1 | -44.3 | 176.7 | -71.1 | 178.7 | -177.2 | 0 | 0 | 112.3 | S827 T828 T833 L834 N835 | S827-E831 PolarHBondContact O-N 3.35Å; S827-E831 VanDerWaalsContact O-N 3.07Å; T828-E831 PolarHBondContact O-N 3.24Å; E831-T833 VanDerWaalsContact C-N 3.33Å; E831-T833 PolarHBondContact O-N 3.28Å; E831-L834 PolarHBondContact O-N 2.89Å; E831-N835 WeakPolarHBondContact O-CB 3.26Å; E831-N835 PolarHBondContact O-N 3.21Å |
| 832 | E | 75.9 | Confident | 69 | Low | 66 Ų | 66 | 48.5 Ų | 48.5 | 31% | 0.308 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.3 | -36.7 | 177.3 | -73.3 | -161.8 | 158.7 | 0 | 0 | 112.1 | K504 T828 A836 | K504-E832 IonicContact NZ-OE1 3.39Å; K504-E832 PolarHBondContact NZ-OE1 3.29Å; T828-E832 WeakPolarHBondContact O-CG 3.35Å; T828-E832 PolarHBondContact O-N 3.36Å; E832-A836 WeakPolarHBondContact O-CB 3.4Å; E832-A836 PolarHBondContact O-N 3.32Å |
| 833 | T | 77.4 | Confident | 71.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.6 | -46.5 | 176.1 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | W507 L521 E561 V829 A830 E831 N835 A836 V837 | W507-T833 WeakPolarHBondContact CZ2-OG1 3.49Å; W507-T833 PolarHBondContact NE1-OG1 2.74Å; W507-T833 VanDerWaalsContact NE1-OG1 3.16Å; L521-T833 HydrophobicContact CB-CG2 3.99Å; L521-T833 HydrophobicContact CD2-CG2 3.63Å; L521-T833 HydrophobicContact CG-CG2 4.45Å; E561-T833 HydrophobicContact CB-CG2 3.97Å; E561-T833 WeakPolarHBondContact OE2-CB 3.2Å; E561-T833 WeakPolarHBondContact OE2-CG2 3.4Å; E561-T833 PolarHBondContact OE2-OG1 3Å; V829-T833 VanDerWaalsContact O-CB 3.26Å; V829-T833 WeakPolarHBondContact O-CB 3.37Å; V829-T833 PolarHBondContact O-N 3.46Å; V829-T833 PolarHBondContact O-OG1 3.32Å; A830-T833 PolarHBondContact O-N 2.95Å; E831-T833 VanDerWaalsContact C-N 3.33Å; E831-T833 PolarHBondContact O-N 3.28Å; T833-N835 PolarHBondContact O-N 3.02Å; T833-A836 WeakPolarHBondContact O-CB 3.48Å; T833-A836 PolarHBondContact O-N 2.87Å; T833-V837 WeakPolarHBondContact O-CG2 3.4Å; T833-V837 PolarHBondContact O-N 2.72Å |
| 834 | L | 78 | Confident | 73.2 | Confident | 47 Ų | 47 | 43.2 Ų | 43.2 | 25% | 0.246 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.8 | -46.7 | 176.4 | -176.5 | 60.5 | 0 | 0 | 0 | 111.3 | G562 A830 E831 A836 V837 Q838 | G562-L834 WeakPolarHBondContact O-CD1 3.4Å; A830-L834 WeakPolarHBondContact O-CB 3.29Å; A830-L834 PolarHBondContact O-N 3.33Å; E831-L834 PolarHBondContact O-N 2.89Å; L834-A836 VanDerWaalsContact C-N 3.29Å; L834-A836 PolarHBondContact O-N 2.94Å; L834-V837 PolarHBondContact O-N 2.98Å; L834-Q838 HydrophobicContact CD1-CG 4.26Å; L834-Q838 HydrophobicContact CG-CG 4.46Å; L834-Q838 VanDerWaalsContact O-CB 3.31Å; L834-Q838 WeakPolarHBondContact O-CB 3.45Å; L834-Q838 VanDerWaalsContact O-CG 3.23Å; L834-Q838 WeakPolarHBondContact O-CG 3.3Å; L834-Q838 PolarHBondContact O-N 3.1Å |
| 835 | N | 80.3 | Confident | 75.1 | Confident | 60 Ų | 60 | 39.7 Ų | 39.7 | 32% | 0.321 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.5 | -43.8 | 175.5 | -173.8 | -76.2 | 0 | 0 | 0 | 111.7 | R645 E831 T833 Q838 C839 | R645-N835 PolarHBondContact NH1-OD1 3.12Å; R645-N835 PolarHBondContact NH2-OD1 2.64Å; E831-N835 WeakPolarHBondContact O-CB 3.26Å; E831-N835 PolarHBondContact O-N 3.21Å; T833-N835 PolarHBondContact O-N 3.02Å; N835-Q838 PolarHBondContact O-N 3.19Å; N835-C839 WeakPolarHBondContact O-CB 3.46Å; N835-C839 PolarHBondContact O-N 3.08Å; N835-C839 PolarHBondContact O-SG 3.02Å |
| 836 | A | 78.5 | Confident | 76.6 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.5 | -46.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F506 F508 E832 T833 L834 Q838 C839 L840 | F506-A836 HydrophobicContact CD1-CB 3.6Å; F506-A836 HydrophobicContact CE1-CB 3.36Å; F506-A836 HydrophobicContact CE2-CB 4.42Å; F506-A836 HydrophobicContact CG-CB 4.2Å; F506-A836 HydrophobicContact CZ-CB 3.78Å; F508-A836 HydrophobicContact CE1-CB 3.46Å; F508-A836 VanDerWaalsContact CE1-CB 3.46Å; F508-A836 HydrophobicContact CZ-CB 3.7Å; E832-A836 WeakPolarHBondContact O-CB 3.4Å; E832-A836 PolarHBondContact O-N 3.32Å; T833-A836 WeakPolarHBondContact O-CB 3.48Å; T833-A836 PolarHBondContact O-N 2.87Å; L834-A836 VanDerWaalsContact C-N 3.29Å; L834-A836 PolarHBondContact O-N 2.94Å; A836-Q838 PolarHBondContact O-N 3.11Å; A836-C839 PolarHBondContact O-N 3.35Å; A836-L840 HydrophobicContact CB-CD1 4.42Å; A836-L840 VanDerWaalsContact O-CB 3.26Å; A836-L840 WeakPolarHBondContact O-CB 3.49Å; A836-L840 WeakPolarHBondContact O-CG 3.1Å; A836-L840 PolarHBondContact O-N 2.9Å |
| 837 | V | 80.5 | Confident | 78 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.5 | -35.1 | 178.2 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | R519 L521 I563 T833 L834 | R519-V837 HydrophobicContact CB-CG1 4.15Å; R519-V837 WeakPolarHBondContact O-CG1 3.33Å; L521-V837 HydrophobicContact CB-CG2 4.3Å; I563-V837 HydrophobicContact CD1-CG1 4.4Å; I563-V837 HydrophobicContact CG1-CG1 3.58Å; T833-V837 WeakPolarHBondContact O-CG2 3.4Å; T833-V837 PolarHBondContact O-N 2.72Å; L834-V837 PolarHBondContact O-N 2.98Å |
| 838 | Q | 83.3 | Confident | 79.3 | Confident | 53 Ų | 53 | 42 Ų | 42 | 25% | 0.248 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -76.5 | -35.4 | -178.2 | -77.5 | 176.9 | -15.4 | 0 | 0 | 114.3 | L655 L834 N835 A836 | L655-Q838 HydrophobicContact CD1-CB 3.96Å; L655-Q838 HydrophobicContact CD1-CG 3.97Å; L655-Q838 HydrophobicContact CD2-CB 4.06Å; L655-Q838 HydrophobicContact CD2-CG 3.89Å; L655-Q838 HydrophobicContact CG-CB 4.46Å; L834-Q838 HydrophobicContact CD1-CG 4.26Å; L834-Q838 HydrophobicContact CG-CG 4.46Å; L834-Q838 VanDerWaalsContact O-CB 3.31Å; L834-Q838 WeakPolarHBondContact O-CB 3.45Å; L834-Q838 VanDerWaalsContact O-CG 3.23Å; L834-Q838 WeakPolarHBondContact O-CG 3.3Å; L834-Q838 PolarHBondContact O-N 3.1Å; N835-Q838 PolarHBondContact O-N 3.19Å; A836-Q838 PolarHBondContact O-N 3.11Å |
| 839 | C | 86.7 | Confident | 80.1 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -100.5 | -6.7 | -171.7 | -57.3 | 0 | 0 | 0 | 0 | 114.3 | R645 L646 A651 N835 A836 | R645-C839 WeakPolarHBondContact CA-O 3.48Å; R645-C839 HydrophobicContact CG-CB 4.36Å; L646-C839 PolarHBondContact N-O 3.03Å; A651-C839 HydrophobicContact CB-CB 4.23Å; N835-C839 WeakPolarHBondContact O-CB 3.46Å; N835-C839 PolarHBondContact O-N 3.08Å; N835-C839 PolarHBondContact O-SG 3.02Å; A836-C839 PolarHBondContact O-N 3.35Å |
| 840 | L | 90 | Very high | 80.6 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 124.8 | -175.8 | -68.3 | -178.7 | 0 | 0 | 0 | 112.7 | F506 F508 W513 I515 M643 F644 R645 A836 L854 | F506-L840 HydrophobicContact CD2-CD1 4.46Å; F506-L840 HydrophobicContact CE2-CD1 3.9Å; F506-L840 HydrophobicContact CE2-CD2 4.05Å; F506-L840 HydrophobicContact CE2-CG 4.2Å; F506-L840 HydrophobicContact CZ-CD1 4.33Å; F506-L840 HydrophobicContact CZ-CD2 4.45Å; F506-L840 HydrophobicContact CZ-CG 4.36Å; F508-L840 HydrophobicContact CZ-CD1 4.41Å; W513-L840 HydrophobicContact CH2-CD1 4.19Å; W513-L840 HydrophobicContact CZ3-CD1 4.42Å; I515-L840 HydrophobicContact CD1-CB 4.08Å; I515-L840 HydrophobicContact CD1-CD1 4.11Å; M643-L840 HydrophobicContact CE-CB 3.73Å; M643-L840 WeakPolarHBondContact CE-O 3.42Å; M643-L840 HydrophobicContact SD-CB 4.36Å; F644-L840 WeakPolarHBondContact O-CA 3.4Å; R645-L840 HydrophobicContact CB-CD2 3.8Å; A836-L840 HydrophobicContact CB-CD1 4.42Å; A836-L840 VanDerWaalsContact O-CB 3.26Å; A836-L840 WeakPolarHBondContact O-CB 3.49Å; A836-L840 WeakPolarHBondContact O-CG 3.1Å; A836-L840 PolarHBondContact O-N 2.9Å; L840-L854 HydrophobicContact CD1-CD1 3.66Å; L840-L854 HydrophobicContact CD2-CD1 3.4Å; L840-L854 HydrophobicContact CG-CD1 4.19Å |
| 841 | V | 89.5 | Confident | 81.1 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.1 | -178.1 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | M643 F644 L646 Y654 N843 | M643-V841 CarbonylContact C-O 3.59Å; M643-V841 WeakPolarHBondContact CA-O 3.37Å; F644-V841 HydrophobicContact CB-CG2 4.19Å; F644-V841 PolarHBondContact N-O 3.1Å; F644-V841 PolarHBondContact O-N 3.07Å; L646-V841 HydrophobicContact CD1-CG1 3.65Å; L646-V841 HydrophobicContact CD1-CG2 4.06Å; L646-V841 HydrophobicContact CD2-CG2 3.73Å; L646-V841 HydrophobicContact CG-CG1 4.06Å; L646-V841 HydrophobicContact CG-CG2 3.84Å; Y654-V841 HydrophobicContact CD1-CG1 3.75Å; Y654-V841 HydrophobicContact CD2-CG1 3.82Å; Y654-V841 HydrophobicContact CE1-CG1 3.53Å; Y654-V841 HydrophobicContact CE2-CB 4.5Å; Y654-V841 HydrophobicContact CE2-CG1 3.6Å; Y654-V841 HydrophobicContact CG-CG1 3.85Å; Y654-V841 VanDerWaalsContact CZ-CG1 3.41Å; V841-N843 WeakPolarHBondContact CB-O 3.46Å; V841-N843 VanDerWaalsContact CG2-O 3.23Å; V841-N843 WeakPolarHBondContact CG2-O 3.4Å |
| 842 | G | 86.8 | Confident | 81.7 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -87.8 | -25 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F866 T867 | G842-F866 WeakPolarHBondContact O-CA 3.35Å; G842-T867 PolarHBondContact O-N 3.38Å |
| 843 | N | 85.8 | Confident | 82.3 | Confident | 62 Ų | 62 | 39.9 Ų | 39.9 | 33% | 0.332 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -102 | 135.1 | 171.4 | 112 | -3.8 | 0 | 0 | 0 | 107.8 | V841 N865 T867 | V841-N843 WeakPolarHBondContact CB-O 3.46Å; V841-N843 VanDerWaalsContact CG2-O 3.23Å; V841-N843 WeakPolarHBondContact CG2-O 3.4Å; N843-N865 WeakPolarHBondContact CB-O 3.43Å; N843-T867 WeakPolarHBondContact CA-OG1 3.4Å |
| 844 | L | 82.2 | Confident | 82.9 | Confident | 44 Ų | 44 | 39.9 Ų | 39.9 | 23% | 0.23 | 22% | 0.221 | C | C | . | . | trans | -110.8 | 102.5 | 174.4 | -171.6 | 70.7 | 0 | 0 | 0 | 107.5 | F644 L646 P850 | F644-L844 HydrophobicContact CB-CD1 4.34Å; F644-L844 HydrophobicContact CD2-CB 4.03Å; F644-L844 HydrophobicContact CD2-CD2 4.49Å; F644-L844 HydrophobicContact CE2-CB 4.21Å; F644-L844 HydrophobicContact CG-CD1 4.41Å; L646-L844 HydrophobicContact CD2-CD1 3.96Å; L844-P850 HydrophobicContact CD1-CB 3.93Å; L844-P850 HydrophobicContact CD1-CG 4.17Å; L844-P850 HydrophobicContact CD2-CB 4.17Å; L844-P850 HydrophobicContact CD2-CG 3.79Å | ||
| 845 | K | 79 | Confident | 83.6 | Confident | 75 Ų | 75 | 38 Ų | 38 | 33% | 0.326 | 21% | 0.211 | S | C | . | . | trans | -70.6 | 159.6 | 169.6 | -59.9 | -173.2 | -174.1 | 173.5 | 0 | 109.7 | D847 Y848 | K845-D847 VanDerWaalsContact C-N 3.27Å; K845-D847 WeakPolarHBondContact CB-OD1 3.14Å; K845-D847 PolarHBondContact O-N 2.93Å; K845-Y848 HydrophobicContact CB-CD2 3.88Å; K845-Y848 HydrophobicContact CB-CE2 3.89Å; K845-Y848 HydrophobicContact CB-CG 4.32Å; K845-Y848 HydrophobicContact CD-CE2 3.87Å; K845-Y848 HydrophobicContact CG-CD2 4.27Å; K845-Y848 HydrophobicContact CG-CE2 3.82Å; K845-Y848 PolarHBondContact O-N 3.39Å | ||
| 846 | S | 73 | Confident | 84.2 | Confident | 135 Ų | 135 | 35.2 Ų | 35.2 | 94% | 0.944 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -22.5 | -173.1 | 48.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 847 | D | 79.3 | Confident | 84.9 | Confident | 102 Ų | 102 | 35.3 Ų | 35.3 | 55% | 0.545 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -18.9 | 178.5 | 54.2 | -28.6 | 0 | 0 | 0 | 113.4 | K845 | K845-D847 VanDerWaalsContact C-N 3.27Å; K845-D847 WeakPolarHBondContact CB-OD1 3.14Å; K845-D847 PolarHBondContact O-N 2.93Å |
| 848 | Y | 82.1 | Confident | 85.6 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | trans | -86.4 | 137.2 | -178.8 | -59.8 | -20.3 | 0 | 0 | 0 | 112.5 | L646 Y654 K845 P850 | L646-Y848 HydrophobicContact CD1-CD2 3.89Å; L646-Y848 HydrophobicContact CD1-CE2 4.44Å; L646-Y848 HydrophobicContact CD1-CG 3.95Å; L646-Y848 HydrophobicContact CD2-CG 4.4Å; Y654-Y848 AromaticContact CD2-CE2 3.86Å; Y654-Y848 HydrophobicContact CD2-CE2 3.86Å; Y654-Y848 HydrophobicContact CG-CE2 4.43Å; K845-Y848 HydrophobicContact CB-CD2 3.88Å; K845-Y848 HydrophobicContact CB-CE2 3.89Å; K845-Y848 HydrophobicContact CB-CG 4.32Å; K845-Y848 HydrophobicContact CD-CE2 3.87Å; K845-Y848 HydrophobicContact CG-CD2 4.27Å; K845-Y848 HydrophobicContact CG-CE2 3.82Å; K845-Y848 PolarHBondContact O-N 3.39Å; Y848-P850 VanDerWaalsContact O-CD 3.26Å; Y848-P850 WeakPolarHBondContact O-CD 3.27Å | ||
| 849 | V | 80.5 | Confident | 86.1 | Confident | 75 Ų | 75 | 32.9 Ų | 32.9 | 46% | 0.455 | 19% | 0.186 | S | C | . | . | trans | -96.1 | 107.4 | 176.9 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | D647 S650 | D647-V849 PolarHBondContact N-O 3.13Å; S650-V849 PolarHBondContact OG-N 3.36Å | ||
| 850 | P | 82.7 | Confident | 86.5 | Confident | 15 Ų | 15 | 34.1 Ų | 34.1 | 10% | 0.097 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 129.6 | 178 | 34.2 | -36.5 | 0 | 0 | 0 | 111.3 | F644 R645 L844 Y848 I899 L903 | F644-P850 HydrophobicContact CB-CB 4.05Å; F644-P850 HydrophobicContact CD1-CB 3.98Å; F644-P850 HydrophobicContact CG-CB 4.27Å; R645-P850 CarbonylContact O-C 3.52Å; L844-P850 HydrophobicContact CD1-CB 3.93Å; L844-P850 HydrophobicContact CD1-CG 4.17Å; L844-P850 HydrophobicContact CD2-CB 4.17Å; L844-P850 HydrophobicContact CD2-CG 3.79Å; Y848-P850 VanDerWaalsContact O-CD 3.26Å; Y848-P850 WeakPolarHBondContact O-CD 3.27Å; P850-I899 HydrophobicContact CG-CG2 3.8Å; P850-L903 HydrophobicContact CB-CD1 3.74Å; P850-L903 HydrophobicContact CG-CD1 3.83Å |
| 851 | L | 79.6 | Confident | 86.6 | Confident | 90 Ų | 90 | 37.3 Ų | 37.3 | 47% | 0.471 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -46.5 | 173.5 | -64.9 | -179.5 | 0 | 0 | 0 | 112.2 | R645 D647 | R645-L851 HydrophobicContact CG-CD1 4.4Å; R645-L851 PolarHBondContact O-N 3.4Å; D647-L851 HydrophobicContact CB-CD1 4.4Å; D647-L851 HydrophobicContact CB-CD2 4.09Å; D647-L851 HydrophobicContact CB-CG 4.21Å |
| 852 | Y | 84.3 | Confident | 86.7 | Confident | 38 Ų | 38 | 37.7 Ų | 37.7 | 15% | 0.149 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 165.9 | 179 | 56.2 | -109.4 | 0 | 0 | 0 | 112 | R503 F644 R645 L854 | R503-Y852 HydrophobicContact CB-CD1 3.94Å; R503-Y852 HydrophobicContact CB-CE1 4Å; R503-Y852 HydrophobicContact CB-CG 4.37Å; R503-Y852 VanDerWaalsContact CD-CD2 3.41Å; R503-Y852 VanDerWaalsContact CD-CZ 3.42Å; R503-Y852 HydrophobicContact CG-CD1 3.82Å; R503-Y852 HydrophobicContact CG-CD2 4.28Å; R503-Y852 HydrophobicContact CG-CE1 3.46Å; R503-Y852 VanDerWaalsContact CG-CE1 3.46Å; R503-Y852 HydrophobicContact CG-CE2 4.02Å; R503-Y852 HydrophobicContact CG-CG 4.18Å; R503-Y852 PolarHBondContact NE-OH 3.01Å; F644-Y852 WeakPolarHBondContact CA-O 3.42Å; R645-Y852 HydrophobicContact CB-CD1 4.45Å; R645-Y852 HydrophobicContact CB-CD2 3.87Å; R645-Y852 HydrophobicContact CB-CE1 4.12Å; R645-Y852 HydrophobicContact CB-CE2 3.42Å; R645-Y852 VanDerWaalsContact CB-CE2 3.42Å; R645-Y852 HydrophobicContact CB-CG 4.37Å; R645-Y852 VanDerWaalsContact CD-CE1 3.45Å; R645-Y852 WeakPolarHBondContact CD-OH 3.26Å; R645-Y852 HydrophobicContact CG-CE1 4.31Å; R645-Y852 HydrophobicContact CG-CE2 4.3Å; R645-Y852 PolarHBondContact N-O 3.22Å; Y852-L854 HydrophobicContact CE2-CD1 4.37Å; Y852-L854 HydrophobicContact CE2-CG 4.45Å |
| 853 | A | 88.3 | Confident | 86.9 | Confident | 9 Ų | 9 | 37.6 Ų | 37.6 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 151.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | R503 I642 M643 F644 L903 I907 | R503-A853 PolarHBondContact NH1-O 2.8Å; I642-A853 HydrophobicContact CG2-CB 3.72Å; M643-A853 CarbonylContact O-C 3.58Å; M643-A853 WeakPolarHBondContact O-CA 3.37Å; F644-A853 HydrophobicContact CD1-CB 4.04Å; F644-A853 HydrophobicContact CE1-CB 3.92Å; A853-L903 HydrophobicContact CB-CB 4.11Å; A853-I907 HydrophobicContact CB-CD1 3.74Å; A853-I907 HydrophobicContact CB-CG1 4.34Å |
| 854 | L | 90 | Very high | 86.9 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 121.3 | -172.5 | -103.5 | 169.6 | 0 | 0 | 0 | 111.4 | R503 F506 E509 W513 I642 M643 L840 Y852 | R503-L854 VanDerWaalsContact CZ-CD2 3.43Å; R503-L854 VanDerWaalsContact CZ-CG 3.45Å; F506-L854 HydrophobicContact CD2-CD1 4.36Å; F506-L854 HydrophobicContact CE2-CD1 4.15Å; E509-L854 HydrophobicContact CG-CD2 4.19Å; E509-L854 VanDerWaalsContact OE2-CD2 3.26Å; E509-L854 WeakPolarHBondContact OE2-CD2 3.5Å; W513-L854 HydrophobicContact CH2-CD1 4.1Å; W513-L854 HydrophobicContact CH2-CD2 4.43Å; W513-L854 HydrophobicContact CZ2-CD1 4.28Å; W513-L854 HydrophobicContact CZ2-CD2 3.78Å; W513-L854 HydrophobicContact CZ2-CG 4.45Å; I642-L854 CarbonylContact C-O 3.6Å; I642-L854 VanDerWaalsContact CA-O 3.29Å; I642-L854 WeakPolarHBondContact CA-O 3.49Å; M643-L854 HydrophobicContact CB-CB 4.15Å; M643-L854 PolarHBondContact N-O 3.13Å; M643-L854 WeakPolarHBondContact O-CB 3.37Å; M643-L854 PolarHBondContact O-N 2.86Å; L840-L854 HydrophobicContact CD1-CD1 3.66Å; L840-L854 HydrophobicContact CD2-CD1 3.4Å; L840-L854 HydrophobicContact CG-CD1 4.19Å; Y852-L854 HydrophobicContact CE2-CD1 4.37Å; Y852-L854 HydrophobicContact CE2-CG 4.45Å |
| 855 | P | 92.4 | Very high | 87.1 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 128.7 | 170.2 | 29.6 | -30.3 | 0 | 0 | 0 | 111.4 | F640 I642 I907 L912 N915 | F640-P855 HydrophobicContact CE2-CB 3.93Å; F640-P855 HydrophobicContact CZ-CB 4.06Å; I642-P855 HydrophobicContact CD1-CB 4.3Å; P855-I907 HydrophobicContact CG-CG2 4.41Å; P855-L912 HydrophobicContact CB-CD2 3.87Å; P855-L912 HydrophobicContact CG-CD2 4.31Å; P855-N915 PolarHBondContact O-ND2 3.06Å |
| 856 | V | 93.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 138.6 | 179 | -168.3 | 0 | 0 | 0 | 0 | 109.1 | W513 F514 G641 M643 M863 F866 | W513-V856 HydrophobicContact CE3-CG1 4.35Å; W513-V856 HydrophobicContact CH2-CB 4.4Å; W513-V856 HydrophobicContact CH2-CG1 4.25Å; W513-V856 HydrophobicContact CH2-CG2 3.34Å; W513-V856 HydrophobicContact CZ2-CG2 3.62Å; W513-V856 HydrophobicContact CZ3-CG1 4.15Å; W513-V856 HydrophobicContact CZ3-CG2 4Å; F514-V856 HydrophobicContact CB-CG1 3.83Å; G641-V856 PolarHBondContact N-O 3.5Å; G641-V856 PolarHBondContact O-N 3.47Å; M643-V856 HydrophobicContact CB-CG2 4.16Å; M643-V856 HydrophobicContact CG-CG2 3.64Å; M643-V856 HydrophobicContact SD-CG2 3.83Å; V856-M863 HydrophobicContact CB-CE 4.2Å; V856-M863 HydrophobicContact CG1-CE 3.99Å; V856-F866 HydrophobicContact CB-CE1 4.38Å |
| 857 | C | 94.5 | Very high | 88.2 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 120.8 | 174.9 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | G639 F640 N915 I916 | G639-C857 WeakPolarHBondContact O-CA 3.38Å; F640-C857 HydrophobicContact CD2-CB 4.43Å; C857-N915 HydrophobicContact CB-CB 4.01Å; C857-N915 WeakPolarHBondContact CB-O 3.35Å; C857-N915 PolarHBondContact SG-O 3.27Å; C857-I916 HydrophobicContact CB-CG2 4.11Å |
| 858 | G | 94.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | -174.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L638 G639 Y860 M863 | L638-G858 CarbonylContact C-O 3.53Å; L638-G858 VanDerWaalsContact CA-O 3.28Å; L638-G858 WeakPolarHBondContact CA-O 3.44Å; L638-G858 WeakPolarHBondContact CD2-O 3.29Å; G639-G858 PolarHBondContact N-O 2.84Å; G639-G858 PolarHBondContact O-N 2.78Å; G639-G858 VanDerWaalsContact O-N 3.15Å; G858-Y860 PolarHBondContact O-N 2.83Å; G858-M863 VanDerWaalsContact N-CE 3.27Å |
| 859 | P | 95 | Very high | 89.1 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 136.3 | 175.1 | -24 | 35 | 0 | 0 | 0 | 111.1 | F514 E579 T582 A861 A862 | F514-P859 HydrophobicContact CE1-CG 4.14Å; F514-P859 HydrophobicContact CE2-CG 4.1Å; F514-P859 HydrophobicContact CZ-CG 3.8Å; E579-P859 HydrophobicContact CB-CB 4.26Å; E579-P859 HydrophobicContact CB-CG 3.87Å; E579-P859 HydrophobicContact CG-CB 4.24Å; E579-P859 HydrophobicContact CG-CG 4.39Å; E579-P859 WeakPolarHBondContact O-CG 3.48Å; T582-P859 HydrophobicContact CG2-CB 3.99Å; T582-P859 HydrophobicContact CG2-CG 4.17Å; P859-A861 PolarHBondContact O-N 2.88Å; P859-A862 WeakPolarHBondContact O-CB 3.42Å; P859-A862 PolarHBondContact O-N 2.62Å; P859-A862 VanDerWaalsContact O-N 3.1Å |
| 860 | Y | 94 | Very high | 89.7 | Confident | 37 Ų | 37 | 27.6 Ų | 27.6 | 15% | 0.145 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -60.9 | -30.1 | -177.6 | -173.4 | -108.6 | 0 | 0 | 0 | 112.6 | L637 G858 A862 M863 K869 K871 H926 | L637-Y860 HydrophobicContact CD2-CD1 4.2Å; L637-Y860 HydrophobicContact CD2-CG 4.33Å; L637-Y860 PolarHBondContact O-N 2.83Å; G858-Y860 PolarHBondContact O-N 2.83Å; Y860-A862 PolarHBondContact O-N 2.89Å; Y860-M863 PolarHBondContact O-N 3.33Å; Y860-K869 HydrophobicContact CE2-CD 4.38Å; Y860-K871 HydrophobicContact CD2-CB 4.07Å; Y860-K871 HydrophobicContact CD2-CG 4.3Å; Y860-K871 HydrophobicContact CE2-CB 3.82Å; Y860-K871 HydrophobicContact CE2-CG 4.41Å; Y860-K871 HydrophobicContact CG-CG 4.43Å; Y860-H926 PolarHBondContact OH-CD2 3.05Å; Y860-H926 PolarHBondContact OH-NE2 3.09Å |
| 861 | A | 92.2 | Very high | 90.2 | Very high | 67 Ų | 67 | 30 Ų | 30 | 55% | 0.554 | 17% | 0.169 | S | C | * | . | G | 310 helix | trans | -62.1 | -38.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | P859 M863 S864 | P859-A861 PolarHBondContact O-N 2.88Å; A861-M863 PolarHBondContact O-N 3.19Å; A861-S864 PolarHBondContact O-N 3.3Å |
| 862 | A | 92.2 | Very high | 90.9 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 7% | 0.074 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -67.4 | -18.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F514 E579 P859 Y860 | F514-A862 HydrophobicContact CD2-CB 3.83Å; F514-A862 HydrophobicContact CE2-CB 3.9Å; E579-A862 HydrophobicContact CG-CB 4.36Å; E579-A862 WeakPolarHBondContact OE2-CB 3.35Å; P859-A862 WeakPolarHBondContact O-CB 3.42Å; P859-A862 PolarHBondContact O-N 2.62Å; P859-A862 VanDerWaalsContact O-N 3.1Å; Y860-A862 PolarHBondContact O-N 2.89Å |
| 863 | M | 91.5 | Very high | 91.4 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.015 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -101.2 | 23.4 | -178.1 | -60 | -176.8 | -178.8 | 0 | 0 | 112.5 | G639 V856 G858 Y860 A861 N865 F866 K869 | G639-M863 VanDerWaalsContact O-CE 3.29Å; G639-M863 WeakPolarHBondContact O-CE 3.49Å; V856-M863 HydrophobicContact CB-CE 4.2Å; V856-M863 HydrophobicContact CG1-CE 3.99Å; G858-M863 VanDerWaalsContact N-CE 3.27Å; Y860-M863 PolarHBondContact O-N 3.33Å; A861-M863 PolarHBondContact O-N 3.19Å; M863-N865 PolarHBondContact O-N 2.82Å; M863-F866 HydrophobicContact CB-CB 4.32Å; M863-F866 HydrophobicContact CB-CD1 4.48Å; M863-F866 HydrophobicContact CB-CD2 4Å; M863-F866 HydrophobicContact CB-CE2 4.41Å; M863-F866 HydrophobicContact CB-CG 4.04Å; M863-F866 HydrophobicContact CG-CD1 4.36Å; M863-F866 HydrophobicContact CG-CD2 4.28Å; M863-F866 HydrophobicContact CG-CE1 4.29Å; M863-F866 HydrophobicContact CG-CE2 4.23Å; M863-F866 HydrophobicContact CG-CG 4.35Å; M863-F866 HydrophobicContact CG-CZ 4.22Å; M863-F866 PolarHBondContact O-N 3.42Å; M863-F866 HydrophobicContact SD-CE1 4.5Å; M863-K869 HydrophobicContact CB-CD 4.36Å; M863-K869 WeakPolarHBondContact O-CD 3.39Å; M863-K869 PolarHBondContact O-NZ 3.21Å |
| 864 | S | 85.8 | Confident | 91.7 | Very high | 67 Ų | 67 | 26.7 Ų | 26.7 | 47% | 0.469 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -42.9 | 177 | 54.1 | 0 | 0 | 0 | 0 | 112 | A861 F866 K869 | A861-S864 PolarHBondContact O-N 3.3Å; S864-F866 PolarHBondContact O-N 2.99Å; S864-K869 VanDerWaalsContact C-NZ 3.35Å; S864-K869 PolarHBondContact O-NZ 2.83Å |
| 865 | N | 85 | Confident | 91.8 | Very high | 106 Ų | 106 | 27.3 Ų | 27.3 | 57% | 0.567 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 3.4 | -174.8 | -63.4 | -8.8 | 0 | 0 | 0 | 114.6 | N843 M863 | N843-N865 WeakPolarHBondContact CB-O 3.43Å; M863-N865 PolarHBondContact O-N 2.82Å |
| 866 | F | 89.3 | Confident | 91.7 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 9% | 0.092 | 20% | 0.199 | C | C | . | . | trans | -80.4 | 130.8 | -176.6 | -79.3 | -135.7 | 0 | 0 | 0 | 111.5 | M643 G842 V856 M863 S864 K869 | M643-F866 HydrophobicContact CE-CE2 4.45Å; M643-F866 HydrophobicContact CE-CZ 4.08Å; M643-F866 HydrophobicContact CG-CD1 4.3Å; M643-F866 HydrophobicContact CG-CE1 3.28Å; M643-F866 HydrophobicContact CG-CE2 4.29Å; M643-F866 HydrophobicContact CG-CZ 3.27Å; M643-F866 HydrophobicContact SD-CE1 4.18Å; M643-F866 HydrophobicContact SD-CE2 4.48Å; M643-F866 HydrophobicContact SD-CZ 3.59Å; M643-F866 VanDerWaalsContact SD-CZ 3.59Å; G842-F866 WeakPolarHBondContact O-CA 3.35Å; V856-F866 HydrophobicContact CB-CE1 4.38Å; M863-F866 HydrophobicContact CB-CB 4.32Å; M863-F866 HydrophobicContact CB-CD1 4.48Å; M863-F866 HydrophobicContact CB-CD2 4Å; M863-F866 HydrophobicContact CB-CE2 4.41Å; M863-F866 HydrophobicContact CB-CG 4.04Å; M863-F866 HydrophobicContact CG-CD1 4.36Å; M863-F866 HydrophobicContact CG-CD2 4.28Å; M863-F866 HydrophobicContact CG-CE1 4.29Å; M863-F866 HydrophobicContact CG-CE2 4.23Å; M863-F866 HydrophobicContact CG-CG 4.35Å; M863-F866 HydrophobicContact CG-CZ 4.22Å; M863-F866 PolarHBondContact O-N 3.42Å; M863-F866 HydrophobicContact SD-CE1 4.5Å; S864-F866 PolarHBondContact O-N 2.99Å; F866-K869 HydrophobicContact CB-CB 4.02Å; F866-K869 HydrophobicContact CB-CD 4.03Å; F866-K869 HydrophobicContact CB-CG 4.46Å; F866-K869 WeakPolarHBondContact O-CD 3.32Å | ||
| 867 | T | 85.7 | Confident | 91.6 | Very high | 67 Ų | 67 | 35.5 Ų | 35.5 | 41% | 0.411 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -68.5 | -48 | 172.2 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | G842 N843 | G842-T867 PolarHBondContact O-N 3.38Å; N843-T867 WeakPolarHBondContact CA-OG1 3.4Å |
| 868 | Y | 88.4 | Confident | 91.4 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 4% | 0.043 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -101.6 | 97.9 | 179.2 | -55.1 | -75.7 | 0 | 0 | 0 | 109.9 | G641 I642 F644 F890 V896 S900 L904 | G641-Y868 CarbonylContact C-O 3.58Å; G641-Y868 WeakPolarHBondContact CA-O 3.19Å; I642-Y868 PolarHBondContact N-O 2.94Å; F644-Y868 AromaticContact CE2-CD2 3.62Å; F644-Y868 HydrophobicContact CE2-CD2 3.62Å; F644-Y868 AromaticContact CE2-CE2 3.6Å; F644-Y868 HydrophobicContact CE2-CE2 3.6Å; F644-Y868 AromaticContact CZ-CD2 3.7Å; F644-Y868 HydrophobicContact CZ-CD2 3.7Å; F644-Y868 AromaticContact CZ-CE2 3.52Å; F644-Y868 HydrophobicContact CZ-CE2 3.52Å; Y868-F890 HydrophobicContact CD1-CB 3.85Å; Y868-F890 HydrophobicContact CD1-CD1 4.2Å; Y868-F890 HydrophobicContact CD1-CG 4.01Å; Y868-F890 HydrophobicContact CG-CG 4.46Å; Y868-V896 HydrophobicContact CE1-CB 4.46Å; Y868-V896 HydrophobicContact CE1-CG1 4.08Å; Y868-V896 HydrophobicContact CE1-CG2 3.61Å; Y868-V896 WeakPolarHBondContact OH-CG1 3.08Å; Y868-S900 PolarHBondContact OH-OG 3.2Å; Y868-L904 HydrophobicContact CD1-CD1 4.39Å; Y868-L904 HydrophobicContact CE1-CD1 4.28Å |
| 869 | K | 92 | Very high | 91.3 | Very high | 24 Ų | 24 | 46.9 Ų | 46.9 | 10% | 0.104 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 147.4 | 176.6 | 70.3 | -171.9 | -177.4 | -173.7 | 0 | 113 | F640 Y860 M863 S864 F866 H926 | F640-K869 CarbonylContact O-C 3.56Å; F640-K869 WeakPolarHBondContact O-CA 3.36Å; Y860-K869 HydrophobicContact CE2-CD 4.38Å; M863-K869 HydrophobicContact CB-CD 4.36Å; M863-K869 WeakPolarHBondContact O-CD 3.39Å; M863-K869 PolarHBondContact O-NZ 3.21Å; S864-K869 VanDerWaalsContact C-NZ 3.35Å; S864-K869 PolarHBondContact O-NZ 2.83Å; F866-K869 HydrophobicContact CB-CB 4.02Å; F866-K869 HydrophobicContact CB-CD 4.03Å; F866-K869 HydrophobicContact CB-CG 4.46Å; F866-K869 WeakPolarHBondContact O-CD 3.32Å; K869-H926 WeakPolarHBondContact CE-NE2 3.32Å |
| 870 | V | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 150.8 | 168.7 | -63.3 | 0 | 0 | 0 | 0 | 110 | G639 F640 L872 A886 L889 F890 V922 A924 | G639-V870 CarbonylContact C-O 3.58Å; G639-V870 VanDerWaalsContact CA-O 3.32Å; G639-V870 WeakPolarHBondContact CA-O 3.47Å; F640-V870 HydrophobicContact CB-CG2 3.89Å; F640-V870 HydrophobicContact CD1-CG2 4.04Å; F640-V870 HydrophobicContact CG-CG2 4.47Å; F640-V870 PolarHBondContact N-O 2.99Å; F640-V870 WeakPolarHBondContact O-CG2 3.46Å; F640-V870 PolarHBondContact O-N 2.87Å; V870-L872 HydrophobicContact CG2-CD2 4.39Å; V870-A886 HydrophobicContact CG1-CB 4.21Å; V870-A886 HydrophobicContact CG2-CB 3.72Å; V870-L889 HydrophobicContact CG1-CD1 4.34Å; V870-F890 HydrophobicContact CG1-CE1 3.65Å; V870-F890 HydrophobicContact CG1-CZ 3.91Å; V870-F890 HydrophobicContact CG2-CZ 4.45Å; V870-V922 HydrophobicContact CB-CG1 3.81Å; V870-V922 HydrophobicContact CG1-CG1 4.14Å; V870-V922 HydrophobicContact CG2-CG1 3.77Å; V870-A924 HydrophobicContact CG1-CB 4.11Å |
| 871 | K | 94.2 | Very high | 90.7 | Very high | 67 Ų | 67 | 50 Ų | 50 | 29% | 0.291 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 127.5 | 176.7 | -175.4 | -179.3 | -178.6 | 173.5 | 0 | 109.4 | L637 Y860 S923 | L637-K871 HydrophobicContact CD1-CD 3.91Å; L637-K871 HydrophobicContact CD1-CG 3.59Å; L637-K871 HydrophobicContact CG-CG 4.42Å; Y860-K871 HydrophobicContact CD2-CB 4.07Å; Y860-K871 HydrophobicContact CD2-CG 4.3Å; Y860-K871 HydrophobicContact CE2-CB 3.82Å; Y860-K871 HydrophobicContact CE2-CG 4.41Å; Y860-K871 HydrophobicContact CG-CG 4.43Å; K871-S923 WeakPolarHBondContact CA-O 3.4Å; K871-S923 WeakPolarHBondContact CB-O 3.08Å; K871-S923 WeakPolarHBondContact CB-OG 3.5Å; K871-S923 PolarHBondContact N-O 2.8Å; K871-S923 PolarHBondContact O-N 2.92Å; K871-S923 PolarHBondContact O-OG 2.91Å |
| 872 | L | 94.4 | Very high | 90.6 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.3 | 175.9 | -61.3 | -174.7 | 0 | 0 | 0 | 110.2 | W591 L638 F640 V870 I916 K921 V922 | W591-L872 HydrophobicContact CH2-CB 4.33Å; L638-L872 HydrophobicContact CB-CB 4.12Å; L638-L872 PolarHBondContact N-O 2.82Å; L638-L872 VanDerWaalsContact N-O 3.14Å; L638-L872 WeakPolarHBondContact O-CA 3.36Å; L638-L872 PolarHBondContact O-N 3.26Å; F640-L872 HydrophobicContact CB-CD1 3.75Å; F640-L872 HydrophobicContact CB-CD2 4.38Å; F640-L872 HydrophobicContact CB-CG 4Å; V870-L872 HydrophobicContact CG2-CD2 4.39Å; L872-I916 HydrophobicContact CD1-CB 4.12Å; L872-I916 HydrophobicContact CD1-CG2 3.71Å; L872-K921 WeakPolarHBondContact CA-O 3.37Å; L872-V922 HydrophobicContact CD2-CB 4.48Å; L872-V922 HydrophobicContact CD2-CG2 3.83Å |
| 873 | T | 94 | Very high | 90.6 | Very high | 38 Ų | 38 | 46.6 Ų | 46.6 | 23% | 0.233 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 160.8 | 171.4 | 58 | 0 | 0 | 0 | 0 | 109.8 | W591 L637 G875 V920 K921 | W591-T873 VanDerWaalsContact CZ2-C 3.43Å; L637-T873 HydrophobicContact CD1-CG2 3.59Å; T873-G875 PolarHBondContact O-N 2.87Å; T873-V920 CarbonylContact O-C 3.47Å; T873-V920 WeakPolarHBondContact O-CA 3.43Å; T873-K921 PolarHBondContact N-O 2.84Å; T873-K921 VanDerWaalsContact N-O 3.09Å; T873-K921 PolarHBondContact O-N 3Å |
| 874 | P | 93.8 | Very high | 90.5 | Very high | 25 Ų | 25 | 52 Ų | 52 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.9 | 134.9 | 170 | -28.2 | 35.8 | 0 | 0 | 0 | 112.2 | W591 K594 L636 | W591-P874 HydrophobicContact CD2-CG 3.91Å; W591-P874 HydrophobicContact CE3-CG 4Å; W591-P874 HydrophobicContact CG-CG 4.42Å; W591-P874 HydrophobicContact CH2-CG 4.37Å; W591-P874 HydrophobicContact CZ2-CG 4.27Å; W591-P874 HydrophobicContact CZ3-CG 4.23Å; W591-P874 WeakPolarHBondContact O-CB 3.34Å; K594-P874 HydrophobicContact CD-CB 4.39Å; K594-P874 HydrophobicContact CG-CB 3.82Å; K594-P874 HydrophobicContact CG-CG 4.48Å; L636-P874 HydrophobicContact CB-CG 4.01Å; L636-P874 HydrophobicContact CD1-CG 4.09Å; L636-P874 WeakPolarHBondContact O-CD 3.36Å |
| 875 | G | 92.4 | Very high | 90.7 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | -153.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T873 K919 | T873-G875 PolarHBondContact O-N 2.87Å; G875-K919 CarbonylContact C-O 3.59Å; G875-K919 PolarHBondContact N-O 3.47Å; G875-K919 CarbonylContact O-C 3.53Å; G875-K919 WeakPolarHBondContact O-CB 3.28Å; G875-K919 VanDerWaalsContact O-O 3.12Å |
| 876 | T | 91.3 | Very high | 91 | Very high | 131 Ų | 131 | 46.9 Ų | 46.9 | 80% | 0.804 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | -8.6 | -178.8 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 877 | T | 90.7 | Very high | 91 | Very high | 49 Ų | 49 | 46.9 Ų | 46.9 | 30% | 0.301 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 137.4 | -176 | -46.3 | 0 | 0 | 0 | 0 | 111 | S881 A882 K919 V920 | T877-S881 WeakPolarHBondContact CG2-OG 3.22Å; T877-A882 HydrophobicContact CG2-CB 4.34Å; T877-K919 WeakPolarHBondContact O-CA 3.42Å; T877-V920 WeakPolarHBondContact CA-O 3.39Å; T877-V920 WeakPolarHBondContact CB-O 3.46Å; T877-V920 PolarHBondContact N-O 3.18Å; T877-V920 PolarHBondContact O-N 3.1Å; T877-V920 PolarHBondContact OG1-O 2.81Å |
| 878 | K | 90.6 | Very high | 91.1 | Very high | 164 Ų | 164 | 48.8 Ų | 48.8 | 71% | 0.713 | 26% | 0.259 | S | S | * | . | trans | -67.4 | 150.6 | 174.4 | -65.2 | -176.8 | 179.7 | -179.4 | 0 | 110.8 | S880 S881 A882 | K878-S880 PolarHBondContact O-N 2.93Å; K878-S881 PolarHBondContact O-N 3.42Å; K878-S881 VanDerWaalsContact O-N 3.16Å; K878-A882 PolarHBondContact O-N 3.33Å | ||
| 879 | K | 90.6 | Very high | 91.1 | Very high | 78 Ų | 78 | 50.3 Ų | 50.3 | 34% | 0.339 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -50.8 | -51.1 | -177.4 | -56.1 | -169.2 | -176.4 | -156.8 | 0 | 113.2 | S881 A882 V883 I916 P917 G918 | K879-S881 PolarHBondContact O-N 3.15Å; K879-A882 WeakPolarHBondContact O-CB 3.23Å; K879-A882 PolarHBondContact O-N 3.38Å; K879-V883 WeakPolarHBondContact O-CG2 3.37Å; K879-V883 PolarHBondContact O-N 3Å; K879-I916 HydrophobicContact CB-CD1 3.87Å; K879-I916 HydrophobicContact CB-CG1 4.02Å; K879-I916 HydrophobicContact CD-CG1 4.37Å; K879-I916 WeakPolarHBondContact CD-O 3.47Å; K879-I916 WeakPolarHBondContact CE-O 3.23Å; K879-I916 HydrophobicContact CG-CD1 4.36Å; K879-I916 HydrophobicContact CG-CG1 4.24Å; K879-I916 PolarHBondContact NZ-O 3.18Å; K879-I916 WeakPolarHBondContact O-CD1 3.29Å; K879-P917 VanDerWaalsContact CE-C 3.45Å; K879-P917 WeakPolarHBondContact CG-O 3.39Å; K879-G918 VanDerWaalsContact CE-CA 3.48Å; K879-G918 VanDerWaalsContact CE-N 3.26Å |
| 880 | S | 87.1 | Confident | 90.9 | Very high | 50 Ų | 50 | 49.3 Ų | 49.3 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.3 | -43.7 | -179 | 49.9 | 0 | 0 | 0 | 0 | 113 | K878 K884 E909 | K878-S880 PolarHBondContact O-N 2.93Å; S880-K884 WeakPolarHBondContact O-CB 3.25Å; S880-K884 WeakPolarHBondContact O-CG 3.33Å; S880-K884 PolarHBondContact O-N 3.34Å; S880-E909 WeakPolarHBondContact CB-OE1 3.43Å |
| 881 | S | 89.5 | Confident | 90.5 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 39% | 0.392 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 178 | 174.3 | 0 | 0 | 0 | 0 | 112.2 | T877 K878 K879 K884 T885 | T877-S881 WeakPolarHBondContact CG2-OG 3.22Å; K878-S881 PolarHBondContact O-N 3.42Å; K878-S881 VanDerWaalsContact O-N 3.16Å; K879-S881 PolarHBondContact O-N 3.15Å; S881-K884 PolarHBondContact O-N 3.28Å; S881-T885 PolarHBondContact O-N 2.92Å; S881-T885 PolarHBondContact O-OG1 2.87Å |
| 882 | A | 91.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T877 K878 K879 T885 A886 I916 V920 V922 | T877-A882 HydrophobicContact CG2-CB 4.34Å; K878-A882 PolarHBondContact O-N 3.33Å; K879-A882 WeakPolarHBondContact O-CB 3.23Å; K879-A882 PolarHBondContact O-N 3.38Å; A882-T885 WeakPolarHBondContact O-CB 3.47Å; A882-T885 PolarHBondContact O-N 2.68Å; A882-A886 PolarHBondContact O-N 2.85Å; A882-I916 HydrophobicContact CB-CD1 4.07Å; A882-V920 HydrophobicContact CB-CG2 3.25Å; A882-V922 HydrophobicContact CB-CG2 3.6Å |
| 883 | V | 91.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.8 | -36.9 | 179.9 | -170.1 | 0 | 0 | 0 | 0 | 112.4 | F640 K879 T885 A886 I887 L912 I916 | F640-V883 HydrophobicContact CE1-CG1 3.69Å; F640-V883 HydrophobicContact CE2-CG1 4.36Å; F640-V883 HydrophobicContact CZ-CG1 3.51Å; F640-V883 HydrophobicContact CZ-CG2 4.41Å; K879-V883 WeakPolarHBondContact O-CG2 3.37Å; K879-V883 PolarHBondContact O-N 3Å; V883-T885 PolarHBondContact O-N 3.18Å; V883-A886 PolarHBondContact O-N 2.96Å; V883-A886 VanDerWaalsContact O-N 3.14Å; V883-I887 HydrophobicContact CG1-CG1 4.04Å; V883-I887 WeakPolarHBondContact O-CG1 3.29Å; V883-I887 PolarHBondContact O-N 2.78Å; V883-L912 HydrophobicContact CB-CB 4.31Å; V883-L912 HydrophobicContact CG1-CB 3.53Å; V883-L912 HydrophobicContact CG1-CD1 4.08Å; V883-L912 HydrophobicContact CG1-CD2 3.78Å; V883-L912 HydrophobicContact CG1-CG 3.99Å; V883-I916 HydrophobicContact CG2-CD1 3.47Å; V883-I916 VanDerWaalsContact CG2-CD1 3.47Å; V883-I916 HydrophobicContact CG2-CG1 4.05Å |
| 884 | K | 89.7 | Confident | 87.8 | Confident | 117 Ų | 117 | 63.5 Ų | 63.5 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -55.4 | -43.5 | 171 | -82.8 | 177.8 | 162.5 | 139.7 | 0 | 112 | S880 S881 H888 E909 | S880-K884 WeakPolarHBondContact O-CB 3.25Å; S880-K884 WeakPolarHBondContact O-CG 3.33Å; S880-K884 PolarHBondContact O-N 3.34Å; S881-K884 PolarHBondContact O-N 3.28Å; K884-H888 VanDerWaalsContact O-CB 3.29Å; K884-H888 WeakPolarHBondContact O-CB 3.39Å; K884-H888 PolarHBondContact O-N 2.84Å; K884-E909 WeakPolarHBondContact CE-OE1 3.38Å; K884-E909 WeakPolarHBondContact CE-OE2 3.46Å; K884-E909 IonicContact NZ-OE1 3.79Å; K884-E909 PolarHBondContact NZ-OE1 3.47Å; K884-E909 IonicContact NZ-OE2 3.15Å; K884-E909 PolarHBondContact NZ-OE2 3.16Å |
| 885 | T | 90.4 | Very high | 86.5 | Confident | 65 Ų | 65 | 67.7 Ų | 67.7 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 176.5 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | S881 A882 V883 H888 L889 | S881-T885 PolarHBondContact O-N 2.92Å; S881-T885 PolarHBondContact O-OG1 2.87Å; A882-T885 WeakPolarHBondContact O-CB 3.47Å; A882-T885 PolarHBondContact O-N 2.68Å; V883-T885 PolarHBondContact O-N 3.18Å; T885-H888 PolarHBondContact O-N 3.05Å; T885-L889 HydrophobicContact CG2-CD1 4.29Å; T885-L889 VanDerWaalsContact O-CG 3.3Å; T885-L889 WeakPolarHBondContact O-CG 3.5Å; T885-L889 PolarHBondContact O-N 3.41Å |
| 886 | A | 91.2 | Very high | 85.1 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.7 | -49.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F640 V870 A882 V883 H888 L889 F890 | F640-A886 HydrophobicContact CD1-CB 3.8Å; F640-A886 HydrophobicContact CE1-CB 3.98Å; V870-A886 HydrophobicContact CG1-CB 4.21Å; V870-A886 HydrophobicContact CG2-CB 3.72Å; A882-A886 PolarHBondContact O-N 2.85Å; V883-A886 PolarHBondContact O-N 2.96Å; V883-A886 VanDerWaalsContact O-N 3.14Å; A886-H888 VanDerWaalsContact C-N 3.31Å; A886-H888 PolarHBondContact O-N 3.25Å; A886-L889 WeakPolarHBondContact O-CB 3.46Å; A886-L889 PolarHBondContact O-N 2.66Å; A886-F890 HydrophobicContact CB-CE2 4.44Å; A886-F890 HydrophobicContact CB-CZ 4.48Å; A886-F890 WeakPolarHBondContact O-CD2 3.29Å; A886-F890 VanDerWaalsContact O-CG 3.25Å; A886-F890 WeakPolarHBondContact O-CG 3.38Å; A886-F890 PolarHBondContact O-N 3.33Å |
| 887 | I | 89.2 | Confident | 83.9 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 11% | 0.108 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 177.5 | -64.5 | -61.3 | 0 | 0 | 0 | 111 | I642 V883 L889 F890 L891 L912 | I642-I887 HydrophobicContact CD1-CD1 4.29Å; V883-I887 HydrophobicContact CG1-CG1 4.04Å; V883-I887 WeakPolarHBondContact O-CG1 3.29Å; V883-I887 PolarHBondContact O-N 2.78Å; I887-L889 VanDerWaalsContact C-N 3.33Å; I887-L889 PolarHBondContact O-N 3.49Å; I887-F890 HydrophobicContact CD1-CD2 4Å; I887-F890 HydrophobicContact CD1-CE2 4.39Å; I887-F890 PolarHBondContact O-N 3.08Å; I887-L891 HydrophobicContact CG2-CD1 3.99Å; I887-L891 HydrophobicContact CG2-CG 4.34Å; I887-L891 WeakPolarHBondContact O-CG 3.3Å; I887-L891 PolarHBondContact O-N 2.9Å; I887-L912 HydrophobicContact CD1-CD1 4.31Å; I887-L912 HydrophobicContact CD1-CD2 3.89Å; I887-L912 HydrophobicContact CG1-CD1 3.94Å; I887-L912 HydrophobicContact CG1-CD2 4.22Å |
| 888 | H | 88.1 | Confident | 83 | Confident | 106 Ų | 106 | 63.7 Ų | 63.7 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 176.4 | -172.3 | 12.9 | 0 | 0 | 0 | 111.8 | K884 T885 A886 F890 L891 Q892 | K884-H888 VanDerWaalsContact O-CB 3.29Å; K884-H888 WeakPolarHBondContact O-CB 3.39Å; K884-H888 PolarHBondContact O-N 2.84Å; T885-H888 PolarHBondContact O-N 3.05Å; A886-H888 VanDerWaalsContact C-N 3.31Å; A886-H888 PolarHBondContact O-N 3.25Å; H888-F890 VanDerWaalsContact C-N 3.33Å; H888-F890 PolarHBondContact O-N 2.9Å; H888-L891 PolarHBondContact O-N 2.82Å; H888-Q892 PolarHBondContact CE1-NE2 2.96Å; H888-Q892 PolarHBondContact NE2-NE2 2.97Å; H888-Q892 WeakPolarHBondContact O-CG 3.39Å; H888-Q892 PolarHBondContact O-N 2.9Å; H888-Q892 VanDerWaalsContact O-N 3.11Å |
| 889 | L | 87.6 | Confident | 82.3 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 23% | 0.225 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.3 | -42 | 174.9 | -70.9 | 167.6 | 0 | 0 | 0 | 111.4 | V870 T885 A886 I887 L891 Q892 D893 A924 L927 | V870-L889 HydrophobicContact CG1-CD1 4.34Å; T885-L889 HydrophobicContact CG2-CD1 4.29Å; T885-L889 VanDerWaalsContact O-CG 3.3Å; T885-L889 WeakPolarHBondContact O-CG 3.5Å; T885-L889 PolarHBondContact O-N 3.41Å; A886-L889 WeakPolarHBondContact O-CB 3.46Å; A886-L889 PolarHBondContact O-N 2.66Å; I887-L889 VanDerWaalsContact C-N 3.33Å; I887-L889 PolarHBondContact O-N 3.49Å; L889-L891 PolarHBondContact O-N 2.89Å; L889-Q892 PolarHBondContact O-N 2.88Å; L889-D893 PolarHBondContact O-N 2.91Å; L889-A924 HydrophobicContact CD1-CB 4.03Å; L889-L927 HydrophobicContact CB-CD2 4.46Å; L889-L927 WeakPolarHBondContact O-CD2 3.4Å |
| 890 | F | 88.1 | Confident | 81.6 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.018 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64 | -38.6 | 176.3 | -58.4 | -25.1 | 0 | 0 | 0 | 113 | F640 I642 Y868 V870 A886 I887 H888 Q892 L904 | F640-F890 HydrophobicContact CD1-CE2 4.42Å; F640-F890 HydrophobicContact CE1-CE2 4.23Å; I642-F890 HydrophobicContact CG1-CD2 4.13Å; I642-F890 HydrophobicContact CG1-CE2 3.91Å; Y868-F890 HydrophobicContact CD1-CB 3.85Å; Y868-F890 HydrophobicContact CD1-CD1 4.2Å; Y868-F890 HydrophobicContact CD1-CG 4.01Å; Y868-F890 HydrophobicContact CG-CG 4.46Å; V870-F890 HydrophobicContact CG1-CE1 3.65Å; V870-F890 HydrophobicContact CG1-CZ 3.91Å; V870-F890 HydrophobicContact CG2-CZ 4.45Å; A886-F890 HydrophobicContact CB-CE2 4.44Å; A886-F890 HydrophobicContact CB-CZ 4.48Å; A886-F890 WeakPolarHBondContact O-CD2 3.29Å; A886-F890 VanDerWaalsContact O-CG 3.25Å; A886-F890 WeakPolarHBondContact O-CG 3.38Å; A886-F890 PolarHBondContact O-N 3.33Å; I887-F890 HydrophobicContact CD1-CD2 4Å; I887-F890 HydrophobicContact CD1-CE2 4.39Å; I887-F890 PolarHBondContact O-N 3.08Å; H888-F890 VanDerWaalsContact C-N 3.33Å; H888-F890 PolarHBondContact O-N 2.9Å; F890-Q892 VanDerWaalsContact C-N 3.34Å; F890-L904 HydrophobicContact CB-CD1 4.19Å |
| 891 | L | 85.5 | Confident | 81.3 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -73.4 | -24.8 | 179.6 | -70.3 | 173.2 | 0 | 0 | 0 | 113.7 | I887 H888 L889 K901 L904 K905 | I887-L891 HydrophobicContact CG2-CD1 3.99Å; I887-L891 HydrophobicContact CG2-CG 4.34Å; I887-L891 WeakPolarHBondContact O-CG 3.3Å; I887-L891 PolarHBondContact O-N 2.9Å; H888-L891 PolarHBondContact O-N 2.82Å; L889-L891 PolarHBondContact O-N 2.89Å; L891-K901 HydrophobicContact CD2-CB 4.28Å; L891-K901 HydrophobicContact CD2-CG 4.43Å; L891-K901 PolarHBondContact O-NZ 2.84Å; L891-L904 HydrophobicContact CD2-CB 4.3Å; L891-L904 HydrophobicContact CD2-CD1 4.41Å; L891-K905 HydrophobicContact CD2-CG 4.37Å |
| 892 | Q | 81.9 | Confident | 80.7 | Confident | 110 Ų | 110 | 59.4 Ų | 59.4 | 51% | 0.514 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -78.6 | -20.1 | 177.7 | -79.2 | -175.9 | -14.5 | 0 | 0 | 113.5 | H888 L889 F890 K894 | H888-Q892 PolarHBondContact CE1-NE2 2.96Å; H888-Q892 PolarHBondContact NE2-NE2 2.97Å; H888-Q892 WeakPolarHBondContact O-CG 3.39Å; H888-Q892 PolarHBondContact O-N 2.9Å; H888-Q892 VanDerWaalsContact O-N 3.11Å; L889-Q892 PolarHBondContact O-N 2.88Å; F890-Q892 VanDerWaalsContact C-N 3.34Å; Q892-K894 PolarHBondContact O-N 2.99Å |
| 893 | D | 76 | Confident | 80.3 | Confident | 41 Ų | 41 | 60.9 Ų | 60.9 | 22% | 0.219 | 33% | 0.329 | C | S | . | . | trans | -63.8 | 130.2 | 178.3 | -167.5 | -20.6 | 0 | 0 | 0 | 110.2 | L889 T895 V896 K901 L927 | L889-D893 PolarHBondContact O-N 2.91Å; D893-T895 VanDerWaalsContact C-N 3.34Å; D893-T895 VanDerWaalsContact CG-OG1 3.24Å; D893-T895 PolarHBondContact OD1-N 2.89Å; D893-T895 PolarHBondContact OD1-OG1 2.86Å; D893-T895 PolarHBondContact OD2-OG1 3.16Å; D893-V896 HydrophobicContact CB-CG2 3.61Å; D893-V896 VanDerWaalsContact O-CG2 3.28Å; D893-V896 WeakPolarHBondContact O-CG2 3.23Å; D893-K901 PolarHBondContact O-NZ 3.21Å; D893-L927 HydrophobicContact CB-CD2 4.24Å | ||
| 894 | K | 66.9 | Low | 79.9 | Confident | 205 Ų | 205 | 60.9 Ų | 60.9 | 89% | 0.891 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -18.7 | -175.6 | -70.3 | -176.3 | 179.3 | 177.7 | 0 | 112.2 | Q892 V896 | Q892-K894 PolarHBondContact O-N 2.99Å; K894-V896 PolarHBondContact O-N 3.4Å |
| 895 | T | 66.8 | Low | 79.5 | Confident | 114 Ų | 114 | 61.8 Ų | 61.8 | 70% | 0.699 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -4.3 | -179.8 | 60 | 0 | 0 | 0 | 0 | 113.4 | D893 G897 | D893-T895 VanDerWaalsContact C-N 3.34Å; D893-T895 VanDerWaalsContact CG-OG1 3.24Å; D893-T895 PolarHBondContact OD1-N 2.89Å; D893-T895 PolarHBondContact OD1-OG1 2.86Å; D893-T895 PolarHBondContact OD2-OG1 3.16Å; T895-G897 PolarHBondContact O-N 2.8Å |
| 896 | V | 62.6 | Low | 79.1 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | trans | -86 | 115 | -166.6 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | Y868 D893 K894 S900 K901 | Y868-V896 HydrophobicContact CE1-CB 4.46Å; Y868-V896 HydrophobicContact CE1-CG1 4.08Å; Y868-V896 HydrophobicContact CE1-CG2 3.61Å; Y868-V896 WeakPolarHBondContact OH-CG1 3.08Å; D893-V896 HydrophobicContact CB-CG2 3.61Å; D893-V896 VanDerWaalsContact O-CG2 3.28Å; D893-V896 WeakPolarHBondContact O-CG2 3.23Å; K894-V896 PolarHBondContact O-N 3.4Å; V896-S900 WeakPolarHBondContact CG1-OG 3.27Å; V896-K901 HydrophobicContact CB-CG 4.25Å; V896-K901 HydrophobicContact CG1-CB 4.49Å; V896-K901 HydrophobicContact CG1-CD 4.05Å; V896-K901 HydrophobicContact CG1-CG 3.3Å; V896-K901 WeakPolarHBondContact O-CE 3.48Å | ||
| 897 | G | 66.5 | Low | 78.6 | Confident | 44 Ų | 44 | 65.6 Ų | 65.6 | 45% | 0.454 | 35% | 0.354 | S | S | . | . | trans | -62.3 | 150.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T895 I899 S900 K901 | T895-G897 PolarHBondContact O-N 2.8Å; G897-I899 VanDerWaalsContact C-N 3.34Å; G897-I899 PolarHBondContact O-N 2.77Å; G897-S900 PolarHBondContact O-N 2.86Å; G897-S900 VanDerWaalsContact O-N 3.15Å; G897-S900 PolarHBondContact O-OG 2.74Å; G897-K901 PolarHBondContact O-N 3.17Å | ||
| 898 | G | 71.2 | Confident | 78.2 | Confident | 53 Ų | 53 | 72.3 Ų | 72.3 | 55% | 0.546 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -53.7 | -44.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S900 K901 D902 | G898-S900 PolarHBondContact O-N 3.45Å; G898-K901 PolarHBondContact O-N 3.39Å; G898-D902 PolarHBondContact O-N 3.3Å |
| 899 | I | 76.3 | Confident | 77.7 | Confident | 116 Ų | 116 | 70.8 Ų | 70.8 | 60% | 0.595 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.1 | -46.3 | 179.9 | -60.5 | 171 | 0 | 0 | 0 | 111.1 | P850 G897 K901 D902 L903 | P850-I899 HydrophobicContact CG-CG2 3.8Å; G897-I899 VanDerWaalsContact C-N 3.34Å; G897-I899 PolarHBondContact O-N 2.77Å; I899-K901 VanDerWaalsContact C-N 3.33Å; I899-K901 PolarHBondContact O-N 3.18Å; I899-D902 PolarHBondContact O-N 3.14Å; I899-D902 VanDerWaalsContact O-N 3.15Å; I899-L903 HydrophobicContact CG2-CD1 4.24Å; I899-L903 HydrophobicContact CG2-CG 4.41Å; I899-L903 WeakPolarHBondContact O-CG 3.27Å; I899-L903 PolarHBondContact O-N 3.3Å |
| 900 | S | 76.8 | Confident | 77.4 | Confident | 5 Ų | 5 | 75.6 Ų | 75.6 | 4% | 0.035 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.4 | -37.4 | -180 | 67.4 | 0 | 0 | 0 | 0 | 112.4 | Y868 V896 G897 G898 D902 L903 L904 | Y868-S900 PolarHBondContact OH-OG 3.2Å; V896-S900 WeakPolarHBondContact CG1-OG 3.27Å; G897-S900 PolarHBondContact O-N 2.86Å; G897-S900 VanDerWaalsContact O-N 3.15Å; G897-S900 PolarHBondContact O-OG 2.74Å; G898-S900 PolarHBondContact O-N 3.45Å; S900-D902 VanDerWaalsContact C-N 3.3Å; S900-D902 PolarHBondContact O-N 3.48Å; S900-L903 PolarHBondContact O-N 3.29Å; S900-L904 WeakPolarHBondContact O-CB 3.29Å; S900-L904 WeakPolarHBondContact O-CG 3.15Å; S900-L904 PolarHBondContact O-N 3.31Å |
| 901 | K | 79.8 | Confident | 77.1 | Confident | 56 Ų | 56 | 78.4 Ų | 78.4 | 24% | 0.243 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 174.1 | -66 | -163.8 | 178 | -169.7 | 0 | 111.8 | L891 D893 V896 G897 G898 I899 L904 K905 | L891-K901 HydrophobicContact CD2-CB 4.28Å; L891-K901 HydrophobicContact CD2-CG 4.43Å; L891-K901 PolarHBondContact O-NZ 2.84Å; D893-K901 PolarHBondContact O-NZ 3.21Å; V896-K901 HydrophobicContact CB-CG 4.25Å; V896-K901 HydrophobicContact CG1-CB 4.49Å; V896-K901 HydrophobicContact CG1-CD 4.05Å; V896-K901 HydrophobicContact CG1-CG 3.3Å; V896-K901 WeakPolarHBondContact O-CE 3.48Å; G897-K901 PolarHBondContact O-N 3.17Å; G898-K901 PolarHBondContact O-N 3.39Å; I899-K901 VanDerWaalsContact C-N 3.33Å; I899-K901 PolarHBondContact O-N 3.18Å; K901-L904 PolarHBondContact O-N 3.09Å; K901-K905 WeakPolarHBondContact O-CG 3.45Å; K901-K905 PolarHBondContact O-N 2.98Å |
| 902 | D | 77.7 | Confident | 77.1 | Confident | 82 Ų | 82 | 76.5 Ų | 76.5 | 44% | 0.439 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.8 | -41.1 | -178.2 | -68.4 | -20.8 | 0 | 0 | 0 | 111.1 | G898 I899 S900 L904 K905 V906 | G898-D902 PolarHBondContact O-N 3.3Å; I899-D902 PolarHBondContact O-N 3.14Å; I899-D902 VanDerWaalsContact O-N 3.15Å; S900-D902 VanDerWaalsContact C-N 3.3Å; S900-D902 PolarHBondContact O-N 3.48Å; D902-L904 VanDerWaalsContact C-N 3.33Å; D902-L904 PolarHBondContact O-N 3.07Å; D902-K905 PolarHBondContact O-N 3.48Å; D902-K905 IonicContact OD1-NZ 3.84Å; D902-K905 PolarHBondContact OD1-NZ 2.81Å; D902-V906 WeakPolarHBondContact O-CG2 3.11Å; D902-V906 PolarHBondContact O-N 2.77Å |
| 903 | L | 82.4 | Confident | 77.3 | Confident | 32 Ų | 32 | 72.5 Ų | 72.5 | 17% | 0.168 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 173.2 | -67.3 | -178.2 | 0 | 0 | 0 | 112.6 | F644 P850 A853 I899 S900 K905 V906 I907 | F644-L903 HydrophobicContact CD1-CD1 4.05Å; F644-L903 HydrophobicContact CE1-CD1 4.24Å; P850-L903 HydrophobicContact CB-CD1 3.74Å; P850-L903 HydrophobicContact CG-CD1 3.83Å; A853-L903 HydrophobicContact CB-CB 4.11Å; I899-L903 HydrophobicContact CG2-CD1 4.24Å; I899-L903 HydrophobicContact CG2-CG 4.41Å; I899-L903 WeakPolarHBondContact O-CG 3.27Å; I899-L903 PolarHBondContact O-N 3.3Å; S900-L903 PolarHBondContact O-N 3.29Å; L903-K905 VanDerWaalsContact C-N 3.35Å; L903-K905 PolarHBondContact O-N 3.11Å; L903-V906 PolarHBondContact O-N 3.47Å; L903-I907 WeakPolarHBondContact O-CG1 3.49Å |
| 904 | L | 83.7 | Confident | 77.8 | Confident | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.01 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.8 | -36.9 | 177.1 | -72 | 170.5 | 0 | 0 | 0 | 112.8 | I642 Y868 F890 L891 S900 K901 D902 V906 | I642-L904 HydrophobicContact CB-CD2 4.22Å; I642-L904 HydrophobicContact CD1-CD2 4.2Å; I642-L904 HydrophobicContact CG1-CD2 3.66Å; I642-L904 HydrophobicContact CG2-CD2 3.95Å; Y868-L904 HydrophobicContact CD1-CD1 4.39Å; Y868-L904 HydrophobicContact CE1-CD1 4.28Å; F890-L904 HydrophobicContact CB-CD1 4.19Å; L891-L904 HydrophobicContact CD2-CB 4.3Å; L891-L904 HydrophobicContact CD2-CD1 4.41Å; S900-L904 WeakPolarHBondContact O-CB 3.29Å; S900-L904 WeakPolarHBondContact O-CG 3.15Å; S900-L904 PolarHBondContact O-N 3.31Å; K901-L904 PolarHBondContact O-N 3.09Å; D902-L904 VanDerWaalsContact C-N 3.33Å; D902-L904 PolarHBondContact O-N 3.07Å; L904-V906 VanDerWaalsContact C-N 3.3Å; L904-V906 PolarHBondContact O-N 3.43Å |
| 905 | K | 81.3 | Confident | 78.7 | Confident | 135 Ų | 135 | 67.8 Ų | 67.8 | 59% | 0.587 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -71.9 | -23 | 179.7 | -70.9 | 169 | -167.8 | 161.5 | 0 | 113.4 | L891 K901 D902 L903 | L891-K905 HydrophobicContact CD2-CG 4.37Å; K901-K905 WeakPolarHBondContact O-CG 3.45Å; K901-K905 PolarHBondContact O-N 2.98Å; D902-K905 PolarHBondContact O-N 3.48Å; D902-K905 IonicContact OD1-NZ 3.84Å; D902-K905 PolarHBondContact OD1-NZ 2.81Å; L903-K905 VanDerWaalsContact C-N 3.35Å; L903-K905 PolarHBondContact O-N 3.11Å |
| 906 | V | 80.6 | Confident | 79.9 | Confident | 118 Ų | 118 | 62.4 Ų | 62.4 | 72% | 0.715 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -79.1 | -21.4 | -178.2 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | D902 L903 L904 R908 | D902-V906 WeakPolarHBondContact O-CG2 3.11Å; D902-V906 PolarHBondContact O-N 2.77Å; L903-V906 PolarHBondContact O-N 3.47Å; L904-V906 VanDerWaalsContact C-N 3.3Å; L904-V906 PolarHBondContact O-N 3.43Å; V906-R908 PolarHBondContact O-N 2.73Å |
| 907 | I | 80.7 | Confident | 81.1 | Confident | 28 Ų | 28 | 62.2 Ų | 62.2 | 14% | 0.144 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -68.7 | 126.8 | -178.2 | -44.6 | 179.1 | 0 | 0 | 0 | 110.5 | I642 A853 P855 L903 L912 | I642-I907 HydrophobicContact CD1-CD1 4.13Å; A853-I907 HydrophobicContact CB-CD1 3.74Å; A853-I907 HydrophobicContact CB-CG1 4.34Å; P855-I907 HydrophobicContact CG-CG2 4.41Å; L903-I907 WeakPolarHBondContact O-CG1 3.49Å; I907-L912 HydrophobicContact CB-CD1 4.35Å; I907-L912 HydrophobicContact CB-CD2 4.46Å; I907-L912 HydrophobicContact CB-CG 4.32Å; I907-L912 HydrophobicContact CG2-CD1 4.24Å; I907-L912 HydrophobicContact CG2-CD2 3.9Å; I907-L912 HydrophobicContact CG2-CG 3.7Å |
| 908 | R | 80.9 | Confident | 82.1 | Confident | 162 Ų | 162 | 61 Ų | 61 | 61% | 0.611 | 31% | 0.309 | S | S | * | . | trans | -69.9 | 141.3 | 179.1 | -52.9 | 179 | -162.7 | 165.9 | 6.9 | 110.8 | V906 Q910 D911 L912 | V906-R908 PolarHBondContact O-N 2.73Å; R908-Q910 PolarHBondContact O-N 3.34Å; R908-Q910 VanDerWaalsContact O-N 3.17Å; R908-D911 PolarHBondContact O-N 3.1Å; R908-D911 VanDerWaalsContact O-N 3.11Å; R908-L912 WeakPolarHBondContact O-CG 3.39Å; R908-L912 PolarHBondContact O-N 3.36Å | ||
| 909 | E | 78.6 | Confident | 83 | Confident | 75 Ų | 75 | 63.5 Ų | 63.5 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.1 | -30.3 | 178.1 | -168.4 | -179.6 | 168.5 | 0 | 0 | 113.4 | S880 K884 L912 S913 | S880-E909 WeakPolarHBondContact CB-OE1 3.43Å; K884-E909 WeakPolarHBondContact CE-OE1 3.38Å; K884-E909 WeakPolarHBondContact CE-OE2 3.46Å; K884-E909 IonicContact NZ-OE1 3.79Å; K884-E909 PolarHBondContact NZ-OE1 3.47Å; K884-E909 IonicContact NZ-OE2 3.15Å; K884-E909 PolarHBondContact NZ-OE2 3.16Å; E909-L912 WeakPolarHBondContact O-CB 3.31Å; E909-S913 WeakPolarHBondContact O-CB 3.47Å; E909-S913 PolarHBondContact O-N 3.15Å; E909-S913 PolarHBondContact O-OG 3.36Å |
| 910 | Q | 81.5 | Confident | 83.8 | Confident | 144 Ų | 144 | 58 Ų | 58 | 67% | 0.673 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -66.9 | -43.3 | 176.8 | -67.5 | 178.5 | -3.8 | 0 | 0 | 111.7 | R908 L912 S913 R914 | R908-Q910 PolarHBondContact O-N 3.34Å; R908-Q910 VanDerWaalsContact O-N 3.17Å; Q910-L912 VanDerWaalsContact C-N 3.32Å; Q910-L912 PolarHBondContact O-N 3.17Å; Q910-S913 PolarHBondContact O-N 3.21Å; Q910-S913 PolarHBondContact O-OG 2.88Å; Q910-R914 WeakPolarHBondContact O-CD 3.09Å; Q910-R914 WeakPolarHBondContact O-CG 3.49Å; Q910-R914 PolarHBondContact O-N 3.45Å |
| 911 | D | 81.1 | Confident | 84.5 | Confident | 62 Ų | 62 | 63.9 Ų | 63.9 | 33% | 0.332 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69 | -36.9 | -179.5 | -59.8 | -36.8 | 0 | 0 | 0 | 111 | R908 | R908-D911 PolarHBondContact O-N 3.1Å; R908-D911 VanDerWaalsContact O-N 3.11Å |
| 912 | L | 85.8 | Confident | 85.1 | Confident | 10 Ų | 10 | 62.7 Ų | 62.7 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.8 | -51.3 | 172.7 | -78.9 | 173.4 | 0 | 0 | 0 | 113.1 | F640 P855 V883 I887 I907 R908 E909 Q910 R914 | F640-L912 HydrophobicContact CZ-CD2 3.76Å; P855-L912 HydrophobicContact CB-CD2 3.87Å; P855-L912 HydrophobicContact CG-CD2 4.31Å; V883-L912 HydrophobicContact CB-CB 4.31Å; V883-L912 HydrophobicContact CG1-CB 3.53Å; V883-L912 HydrophobicContact CG1-CD1 4.08Å; V883-L912 HydrophobicContact CG1-CD2 3.78Å; V883-L912 HydrophobicContact CG1-CG 3.99Å; I887-L912 HydrophobicContact CD1-CD1 4.31Å; I887-L912 HydrophobicContact CD1-CD2 3.89Å; I887-L912 HydrophobicContact CG1-CD1 3.94Å; I887-L912 HydrophobicContact CG1-CD2 4.22Å; I907-L912 HydrophobicContact CB-CD1 4.35Å; I907-L912 HydrophobicContact CB-CD2 4.46Å; I907-L912 HydrophobicContact CB-CG 4.32Å; I907-L912 HydrophobicContact CG2-CD1 4.24Å; I907-L912 HydrophobicContact CG2-CD2 3.9Å; I907-L912 HydrophobicContact CG2-CG 3.7Å; R908-L912 WeakPolarHBondContact O-CG 3.39Å; R908-L912 PolarHBondContact O-N 3.36Å; E909-L912 WeakPolarHBondContact O-CB 3.31Å; Q910-L912 VanDerWaalsContact C-N 3.32Å; Q910-L912 PolarHBondContact O-N 3.17Å; L912-R914 PolarHBondContact O-N 3.03Å |
| 913 | S | 86.2 | Confident | 85.6 | Confident | 26 Ų | 26 | 60.9 Ų | 60.9 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -76.8 | -18.9 | -173.9 | 56.1 | 0 | 0 | 0 | 0 | 114.7 | E909 Q910 N915 | E909-S913 WeakPolarHBondContact O-CB 3.47Å; E909-S913 PolarHBondContact O-N 3.15Å; E909-S913 PolarHBondContact O-OG 3.36Å; Q910-S913 PolarHBondContact O-N 3.21Å; Q910-S913 PolarHBondContact O-OG 2.88Å; S913-N915 VanDerWaalsContact C-N 3.33Å; S913-N915 PolarHBondContact O-N 3.3Å |
| 914 | R | 86.9 | Confident | 85.6 | Confident | 135 Ų | 135 | 60.1 Ų | 60.1 | 51% | 0.509 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71.7 | -21.9 | -179.7 | -77.5 | 172.5 | 83.6 | -173.8 | 8.1 | 114.3 | F512 Q910 L912 | F512-R914 WeakPolarHBondContact CE1-O 3.38Å; Q910-R914 WeakPolarHBondContact O-CD 3.09Å; Q910-R914 WeakPolarHBondContact O-CG 3.49Å; Q910-R914 PolarHBondContact O-N 3.45Å; L912-R914 PolarHBondContact O-N 3.03Å |
| 915 | N | 85.9 | Confident | 84.8 | Confident | 12 Ų | 12 | 62.5 Ų | 62.5 | 6% | 0.064 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -15.6 | -174.6 | -70.3 | -17.6 | 0 | 0 | 0 | 114.2 | R526 P855 C857 S913 | R526-N915 PolarHBondContact NH2-OD1 2.82Å; P855-N915 PolarHBondContact O-ND2 3.06Å; C857-N915 HydrophobicContact CB-CB 4.01Å; C857-N915 WeakPolarHBondContact CB-O 3.35Å; C857-N915 PolarHBondContact SG-O 3.27Å; S913-N915 VanDerWaalsContact C-N 3.33Å; S913-N915 PolarHBondContact O-N 3.3Å |
| 916 | I | 90.9 | Very high | 84.1 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -102.1 | 151.4 | -175.6 | 62.9 | 161.8 | 0 | 0 | 0 | 112.4 | F640 C857 L872 K879 A882 V883 V920 | F640-I916 HydrophobicContact CB-CG2 4.3Å; F640-I916 HydrophobicContact CD2-CG2 3.49Å; F640-I916 VanDerWaalsContact CD2-CG2 3.49Å; F640-I916 HydrophobicContact CE2-CG2 4.13Å; F640-I916 HydrophobicContact CG-CG2 4.13Å; C857-I916 HydrophobicContact CB-CG2 4.11Å; L872-I916 HydrophobicContact CD1-CB 4.12Å; L872-I916 HydrophobicContact CD1-CG2 3.71Å; K879-I916 HydrophobicContact CB-CD1 3.87Å; K879-I916 HydrophobicContact CB-CG1 4.02Å; K879-I916 HydrophobicContact CD-CG1 4.37Å; K879-I916 WeakPolarHBondContact CD-O 3.47Å; K879-I916 WeakPolarHBondContact CE-O 3.23Å; K879-I916 HydrophobicContact CG-CD1 4.36Å; K879-I916 HydrophobicContact CG-CG1 4.24Å; K879-I916 PolarHBondContact NZ-O 3.18Å; K879-I916 WeakPolarHBondContact O-CD1 3.29Å; A882-I916 HydrophobicContact CB-CD1 4.07Å; V883-I916 HydrophobicContact CG2-CD1 3.47Å; V883-I916 VanDerWaalsContact CG2-CD1 3.47Å; V883-I916 HydrophobicContact CG2-CG1 4.05Å; I916-V920 HydrophobicContact CD1-CG2 4.32Å |
| 917 | P | 89.2 | Confident | 83 | Confident | 8 Ų | 8 | 58 Ų | 58 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 168 | 171.4 | 29.5 | -35.1 | 0 | 0 | 0 | 111.7 | F587 W591 L638 K879 V920 | F587-P917 HydrophobicContact CD1-CB 4.26Å; F587-P917 HydrophobicContact CE1-CB 4.12Å; F587-P917 HydrophobicContact CE1-CG 4.36Å; W591-P917 HydrophobicContact CD2-CB 4.27Å; W591-P917 HydrophobicContact CD2-CG 4Å; W591-P917 HydrophobicContact CE3-CG 4.46Å; W591-P917 HydrophobicContact CG-CB 4.3Å; W591-P917 HydrophobicContact CH2-CG 4.17Å; W591-P917 HydrophobicContact CZ2-CG 3.68Å; L638-P917 HydrophobicContact CD1-CG 3.72Å; K879-P917 VanDerWaalsContact CE-C 3.45Å; K879-P917 WeakPolarHBondContact CG-O 3.39Å; P917-V920 HydrophobicContact CG-CG1 3.97Å; P917-V920 WeakPolarHBondContact O-CG1 3.39Å |
| 918 | G | 87.5 | Confident | 81.6 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 19% | 0.186 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -76 | 168.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | W591 K879 V920 | W591-G918 PolarHBondContact NE1-O 2.75Å; K879-G918 VanDerWaalsContact CE-CA 3.48Å; K879-G918 VanDerWaalsContact CE-N 3.26Å; G918-V920 WeakPolarHBondContact O-CG1 3.4Å; G918-V920 PolarHBondContact O-N 2.84Å |
| 919 | K | 90 | Very high | 79.8 | Confident | 106 Ų | 106 | 57.4 Ų | 57.4 | 46% | 0.461 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 48.7 | 66.8 | 170.4 | -64.4 | 176.5 | -175.2 | 165.8 | 0 | 112.3 | W591 E592 G875 T877 | W591-K919 PolarHBondContact NE1-O 2.94Å; E592-K919 HydrophobicContact CG-CD 4.29Å; E592-K919 IonicContact OE1-NZ 3.99Å; E592-K919 IonicContact OE2-NZ 2.77Å; E592-K919 PolarHBondContact OE2-NZ 3.05Å; G875-K919 CarbonylContact C-O 3.59Å; G875-K919 PolarHBondContact N-O 3.47Å; G875-K919 CarbonylContact O-C 3.53Å; G875-K919 WeakPolarHBondContact O-CB 3.28Å; G875-K919 VanDerWaalsContact O-O 3.12Å; T877-K919 WeakPolarHBondContact O-CA 3.42Å |
| 920 | V | 91.9 | Very high | 78.1 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 160 | -173.9 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | W591 T873 T877 A882 I916 P917 G918 | W591-V920 HydrophobicContact CZ2-CB 4.32Å; W591-V920 HydrophobicContact CZ2-CG1 3.74Å; T873-V920 CarbonylContact O-C 3.47Å; T873-V920 WeakPolarHBondContact O-CA 3.43Å; T877-V920 WeakPolarHBondContact CA-O 3.39Å; T877-V920 WeakPolarHBondContact CB-O 3.46Å; T877-V920 PolarHBondContact N-O 3.18Å; T877-V920 PolarHBondContact O-N 3.1Å; T877-V920 PolarHBondContact OG1-O 2.81Å; A882-V920 HydrophobicContact CB-CG2 3.25Å; I916-V920 HydrophobicContact CD1-CG2 4.32Å; P917-V920 HydrophobicContact CG-CG1 3.97Å; P917-V920 WeakPolarHBondContact O-CG1 3.39Å; G918-V920 WeakPolarHBondContact O-CG1 3.4Å; G918-V920 PolarHBondContact O-N 2.84Å |
| 921 | K | 92.3 | Very high | 76 | Confident | 130 Ų | 130 | 59.5 Ų | 59.5 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.4 | 166 | -179.7 | 179.3 | -178.8 | -179.3 | 0 | 107.5 | L872 T873 | L872-K921 WeakPolarHBondContact CA-O 3.37Å; T873-K921 PolarHBondContact N-O 2.84Å; T873-K921 VanDerWaalsContact N-O 3.09Å; T873-K921 PolarHBondContact O-N 3Å |
| 922 | V | 91.2 | Very high | 74 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 19% | 0.188 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 132 | 179.1 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | V870 L872 A882 | V870-V922 HydrophobicContact CB-CG1 3.81Å; V870-V922 HydrophobicContact CG1-CG1 4.14Å; V870-V922 HydrophobicContact CG2-CG1 3.77Å; L872-V922 HydrophobicContact CD2-CB 4.48Å; L872-V922 HydrophobicContact CD2-CG2 3.83Å; A882-V922 HydrophobicContact CB-CG2 3.6Å |
| 923 | S | 89.4 | Confident | 71.5 | Confident | 43 Ų | 43 | 79 Ų | 79 | 30% | 0.301 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 141.3 | 172.1 | 57.4 | 0 | 0 | 0 | 0 | 109.9 | K871 P925 | K871-S923 WeakPolarHBondContact CA-O 3.4Å; K871-S923 WeakPolarHBondContact CB-O 3.08Å; K871-S923 WeakPolarHBondContact CB-OG 3.5Å; K871-S923 PolarHBondContact N-O 2.8Å; K871-S923 PolarHBondContact O-N 2.92Å; K871-S923 PolarHBondContact O-OG 2.91Å; S923-P925 WeakPolarHBondContact O-CD 3.44Å |
| 924 | A | 81.2 | Confident | 70.7 | Confident | 16 Ų | 16 | 81.6 Ų | 81.6 | 13% | 0.132 | 40% | 0.399 | C | S | . | . | trans | -123.5 | 77.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | V870 L889 H926 L927 S928 | V870-A924 HydrophobicContact CG1-CB 4.11Å; L889-A924 HydrophobicContact CD1-CB 4.03Å; A924-H926 PolarHBondContact O-N 3.18Å; A924-L927 HydrophobicContact CB-CB 4.14Å; A924-L927 HydrophobicContact CB-CD1 4Å; A924-L927 PolarHBondContact O-N 3.4Å; A924-L927 VanDerWaalsContact O-N 3.13Å; A924-S928 PolarHBondContact O-N 3.28Å; A924-S928 PolarHBondContact O-OG 3.41Å | ||
| 925 | P | 67.9 | Low | 69.9 | Low | 52 Ų | 52 | 78.8 Ų | 78.8 | 34% | 0.338 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59 | -30.5 | -173.7 | 20 | -30.3 | 0 | 0 | 0 | 113.2 | S923 S928 | S923-P925 WeakPolarHBondContact O-CD 3.44Å; P925-S928 PolarHBondContact O-OG 3.09Å |
| 926 | H | 66.4 | Low | 69 | Low | 114 Ų | 114 | 82.5 Ų | 82.5 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -74.9 | -33.5 | 178.4 | -57 | -63.7 | 0 | 0 | 0 | 113.4 | Y860 K869 A924 | Y860-H926 PolarHBondContact OH-CD2 3.05Å; Y860-H926 PolarHBondContact OH-NE2 3.09Å; K869-H926 WeakPolarHBondContact CE-NE2 3.32Å; A924-H926 PolarHBondContact O-N 3.18Å |
| 927 | L | 58 | Low | 67.7 | Low | 44 Ų | 44 | 87.3 Ų | 87.3 | 23% | 0.23 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -78.5 | -26.4 | 179.1 | -82.4 | 98.8 | 0 | 0 | 0 | 112.9 | L889 D893 A924 N929 A930 | L889-L927 HydrophobicContact CB-CD2 4.46Å; L889-L927 WeakPolarHBondContact O-CD2 3.4Å; D893-L927 HydrophobicContact CB-CD2 4.24Å; A924-L927 HydrophobicContact CB-CB 4.14Å; A924-L927 HydrophobicContact CB-CD1 4Å; A924-L927 PolarHBondContact O-N 3.4Å; A924-L927 VanDerWaalsContact O-N 3.13Å; L927-N929 VanDerWaalsContact C-N 3.26Å; L927-N929 PolarHBondContact O-N 3.22Å; L927-A930 PolarHBondContact O-N 2.62Å |
| 928 | S | 50.3 | Low | 66.4 | Low | 65 Ų | 65 | 92.3 Ų | 92.3 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.5 | -27 | 177.7 | 43.1 | 0 | 0 | 0 | 0 | 113.3 | A924 P925 A930 K931 | A924-S928 PolarHBondContact O-N 3.28Å; A924-S928 PolarHBondContact O-OG 3.41Å; P925-S928 PolarHBondContact O-OG 3.09Å; S928-A930 VanDerWaalsContact C-N 3.32Å; S928-A930 PolarHBondContact O-N 3.26Å; S928-K931 PolarHBondContact O-N 2.89Å |
| 929 | N | 43.6 | Very low | 65 | Low | 113 Ų | 113 | 97.2 Ų | 97.2 | 60% | 0.604 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -72.3 | -25.1 | 177.8 | -74.3 | -7 | 0 | 0 | 0 | 112.7 | L927 K931 K932 | L927-N929 VanDerWaalsContact C-N 3.26Å; L927-N929 PolarHBondContact O-N 3.22Å; N929-K931 PolarHBondContact O-N 3.44Å; N929-K932 PolarHBondContact O-N 2.91Å |
| 930 | A | 42.4 | Very low | 63.2 | Low | 76 Ų | 76 | 96.6 Ų | 96.6 | 63% | 0.628 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | L927 S928 | L927-A930 PolarHBondContact O-N 2.62Å; S928-A930 VanDerWaalsContact C-N 3.32Å; S928-A930 PolarHBondContact O-N 3.26Å |
| 931 | K | 38.4 | Very low | 61 | Low | 187 Ų | 187 | 104 Ų | 104 | 81% | 0.813 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -9.1 | 170.2 | -80.6 | -173.4 | 175.6 | -177.5 | 0 | 113.6 | S928 N929 | S928-K931 PolarHBondContact O-N 2.89Å; N929-K931 PolarHBondContact O-N 3.44Å |
| 932 | K | 39 | Very low | 58.3 | Low | 194 Ų | 194 | 101.8 Ų | 101.8 | 84% | 0.843 | 51% | 0.512 | S | S | * | . | trans | -106.6 | -2.7 | 178.9 | -80 | -171 | 174.2 | -172.8 | 0 | 113.8 | N929 | N929-K932 PolarHBondContact O-N 2.91Š| ||
| 933 | R | 32.5 | Very low | 55.4 | Low | 287 Ų | 287 | 108.3 Ų | 108.3 | 100% | 1.083 | 54% | 0.541 | S | S | * | . | trans | -110.9 | 0 | 163.1 | -77.8 | -175.5 | 168.3 | -170.8 | -3.4 | 107.8 |
Retrieved 933 of 933 residues in 244.5 ms
(Link to these results)