| 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 | 93.6 | Very high | 97.8 | Very high | 106 Ų | 106 | 59 Ų | 59 | 52% | 0.522 | 29% | 0.291 | S | S | . | . | 0 | 139.8 | 0 | -82.9 | -44 | -64.6 | 0 | 0 | 110.8 | L5 L6 G364 | M1-L5 HydrophobicContact CE-CD1 4.05Å; M1-L5 HydrophobicContact CE-CD2 3.45Å; M1-L5 VanDerWaalsContact CE-CD2 3.45Å; M1-L5 HydrophobicContact CE-CG 4.28Å; M1-L6 HydrophobicContact CB-CD1 3.73Å; M1-L6 HydrophobicContact CB-CD2 4.16Å; M1-L6 HydrophobicContact CB-CG 3.93Å; M1-L6 HydrophobicContact CG-CD2 4.44Å; M1-G364 WeakPolarHBondContact CE-O 3.15Å; M1-G364 VanDerWaalsContact SD-C 3.56Å; M1-G364 WeakPolarHBondContact SD-CA 3.39Å; M1-G364 VanDerWaalsContact SD-O 3.42Å | |||
| 2 | N | 97.1 | Very high | 97.9 | Very high | 34 Ų | 34 | 54.1 Ų | 54.1 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | trans | -65.2 | 128.7 | 176.2 | -176.9 | -63.2 | 0 | 0 | 0 | 110.4 | Q4 L5 L6 G364 L365 | N2-Q4 VanDerWaalsContact C-N 3.33Å; N2-Q4 PolarHBondContact O-N 2.93Å; N2-Q4 WeakPolarHBondContact OD1-CB 3.09Å; N2-Q4 PolarHBondContact OD1-N 3.14Å; N2-L5 HydrophobicContact CB-CB 4.21Å; N2-L5 PolarHBondContact O-N 3.46Å; N2-L5 PolarHBondContact OD1-N 3.18Å; N2-L6 PolarHBondContact O-N 3.33Å; N2-L6 VanDerWaalsContact O-N 3.16Å; N2-G364 WeakPolarHBondContact CB-O 3.39Å; N2-G364 PolarHBondContact N-O 3.16Å; N2-L365 HydrophobicContact CB-CD2 3.85Å | ||
| 3 | P | 97.9 | Very high | 98 | Very high | 106 Ų | 106 | 54.2 Ų | 54.2 | 69% | 0.688 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.8 | -36.3 | -177.2 | -25.1 | 34.2 | 0 | 0 | 0 | 114.5 | L6 R7 | P3-L6 PolarHBondContact O-N 2.68Å; P3-R7 WeakPolarHBondContact O-CB 3.35Å; P3-R7 PolarHBondContact O-N 3.33Å |
| 4 | Q | 97.5 | Very high | 98.1 | Very high | 38 Ų | 38 | 58 Ų | 58 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.1 | -43.6 | -179.3 | 179.1 | 73.7 | -19.6 | 0 | 0 | 111.2 | N2 L6 R7 V8 D325 V329 | N2-Q4 VanDerWaalsContact C-N 3.33Å; N2-Q4 PolarHBondContact O-N 2.93Å; N2-Q4 WeakPolarHBondContact OD1-CB 3.09Å; N2-Q4 PolarHBondContact OD1-N 3.14Å; Q4-L6 VanDerWaalsContact C-N 3.31Å; Q4-L6 PolarHBondContact O-N 3.35Å; Q4-R7 VanDerWaalsContact CD-NH2 3.26Å; Q4-R7 WeakPolarHBondContact O-CB 3.44Å; Q4-R7 PolarHBondContact O-N 3Å; Q4-R7 VanDerWaalsContact O-N 3.15Å; Q4-V8 WeakPolarHBondContact O-CG2 3.47Å; Q4-V8 PolarHBondContact O-N 3.42Å; Q4-D325 PolarHBondContact NE2-O 3Å; Q4-V329 HydrophobicContact CB-CB 4.41Å; Q4-V329 HydrophobicContact CB-CG1 3.69Å; Q4-V329 HydrophobicContact CB-CG2 4.03Å; Q4-V329 HydrophobicContact CG-CB 4.41Å; Q4-V329 HydrophobicContact CG-CG1 3.7Å; Q4-V329 HydrophobicContact CG-CG2 3.82Å |
| 5 | L | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 175.8 | 179.2 | 158.1 | 0 | 0 | 0 | 111 | M1 N2 R7 V8 T9 V288 V292 L326 L365 H367 | M1-L5 HydrophobicContact CE-CD1 4.05Å; M1-L5 HydrophobicContact CE-CD2 3.45Å; M1-L5 VanDerWaalsContact CE-CD2 3.45Å; M1-L5 HydrophobicContact CE-CG 4.28Å; N2-L5 HydrophobicContact CB-CB 4.21Å; N2-L5 PolarHBondContact O-N 3.46Å; N2-L5 PolarHBondContact OD1-N 3.18Å; L5-R7 VanDerWaalsContact C-N 3.33Å; L5-R7 PolarHBondContact O-N 3.39Å; L5-V8 PolarHBondContact O-N 3.38Å; L5-T9 WeakPolarHBondContact O-CB 3.4Å; L5-T9 PolarHBondContact O-N 2.99Å; L5-T9 PolarHBondContact O-OG1 3.36Å; L5-V288 HydrophobicContact CD1-CG1 4.36Å; L5-V288 HydrophobicContact CD2-CG1 4.32Å; L5-V288 HydrophobicContact CG-CG1 4.06Å; L5-V292 HydrophobicContact CD1-CG2 4.03Å; L5-L326 HydrophobicContact CB-CD2 4.2Å; L5-L326 HydrophobicContact CG-CD2 4.12Å; L5-L365 HydrophobicContact CD1-CB 4.49Å; L5-L365 HydrophobicContact CD1-CD2 4.45Å; L5-L365 WeakPolarHBondContact CD1-O 3.47Å; L5-H367 VanDerWaalsContact CD2-CE1 3.47Å; L5-H367 WeakPolarHBondContact CD2-CE1 3.32Å; L5-H367 WeakPolarHBondContact CD2-NE2 3.34Å |
| 6 | L | 98.5 | Very high | 98.1 | Very high | 64 Ų | 64 | 55.4 Ų | 55.4 | 34% | 0.335 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 174.6 | -71.8 | 175.8 | 0 | 0 | 0 | 111.9 | M1 N2 P3 Q4 T9 N10 | M1-L6 HydrophobicContact CB-CD1 3.73Å; M1-L6 HydrophobicContact CB-CD2 4.16Å; M1-L6 HydrophobicContact CB-CG 3.93Å; M1-L6 HydrophobicContact CG-CD2 4.44Å; N2-L6 PolarHBondContact O-N 3.33Å; N2-L6 VanDerWaalsContact O-N 3.16Å; P3-L6 PolarHBondContact O-N 2.68Å; Q4-L6 VanDerWaalsContact C-N 3.31Å; Q4-L6 PolarHBondContact O-N 3.35Å; L6-T9 PolarHBondContact O-N 3.35Å; L6-N10 WeakPolarHBondContact O-CB 3.15Å; L6-N10 VanDerWaalsContact O-CG 3.24Å; L6-N10 PolarHBondContact O-N 3.21Å; L6-N10 PolarHBondContact O-ND2 3.44Å |
| 7 | R | 98.6 | Very high | 98.2 | Very high | 128 Ų | 128 | 60.4 Ų | 60.4 | 48% | 0.483 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.1 | -48 | 176.9 | -173.2 | 178.9 | 71.2 | 118.3 | 11.2 | 111.7 | P3 Q4 L5 N10 R11 D325 | P3-R7 WeakPolarHBondContact O-CB 3.35Å; P3-R7 PolarHBondContact O-N 3.33Å; Q4-R7 VanDerWaalsContact CD-NH2 3.26Å; Q4-R7 WeakPolarHBondContact O-CB 3.44Å; Q4-R7 PolarHBondContact O-N 3Å; Q4-R7 VanDerWaalsContact O-N 3.15Å; L5-R7 VanDerWaalsContact C-N 3.33Å; L5-R7 PolarHBondContact O-N 3.39Å; R7-N10 PolarHBondContact O-N 2.75Å; R7-R11 WeakPolarHBondContact O-CB 3.41Å; R7-R11 PolarHBondContact O-N 3.04Å; R7-D325 IonicContact NH2-OD1 3.23Å; R7-D325 IonicContact NH2-OD2 2.63Å |
| 8 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 177 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | Q4 L5 N10 R11 I12 D322 D325 L326 | Q4-V8 WeakPolarHBondContact O-CG2 3.47Å; Q4-V8 PolarHBondContact O-N 3.42Å; L5-V8 PolarHBondContact O-N 3.38Å; V8-N10 PolarHBondContact O-N 3.5Å; V8-R11 WeakPolarHBondContact O-CB 3.37Å; V8-R11 PolarHBondContact O-N 3.05Å; V8-I12 HydrophobicContact CG1-CD1 3.81Å; V8-I12 HydrophobicContact CG1-CG1 4.43Å; V8-I12 WeakPolarHBondContact O-CG1 3.36Å; V8-I12 PolarHBondContact O-N 3.46Å; V8-D322 HydrophobicContact CG1-CB 3.78Å; V8-D325 HydrophobicContact CG2-CB 3.59Å; V8-L326 HydrophobicContact CB-CD2 4.16Å; V8-L326 HydrophobicContact CB-CG 4.23Å; V8-L326 HydrophobicContact CG1-CD1 3.98Å; V8-L326 HydrophobicContact CG1-CD2 4.3Å; V8-L326 HydrophobicContact CG1-CG 3.92Å; V8-L326 HydrophobicContact CG2-CD2 4.34Å; V8-L326 HydrophobicContact CG2-CG 4.25Å |
| 9 | T | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 177.8 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | L5 L6 R11 I12 I13 K285 V288 H367 | L5-T9 WeakPolarHBondContact O-CB 3.4Å; L5-T9 PolarHBondContact O-N 2.99Å; L5-T9 PolarHBondContact O-OG1 3.36Å; L6-T9 PolarHBondContact O-N 3.35Å; T9-R11 VanDerWaalsContact C-N 3.32Å; T9-R11 PolarHBondContact O-N 2.89Å; T9-I12 PolarHBondContact O-N 3.45Å; T9-I13 HydrophobicContact CG2-CD1 4.02Å; T9-I13 WeakPolarHBondContact O-CG1 3.45Å; T9-I13 PolarHBondContact O-N 2.88Å; T9-K285 HydrophobicContact CG2-CG 4.13Å; T9-V288 HydrophobicContact CG2-CG2 4.45Å; T9-H367 WeakPolarHBondContact CG2-NE2 3.41Å; T9-H367 PolarHBondContact OG1-CE1 3.01Å; T9-H367 PolarHBondContact OG1-NE2 3.36Å |
| 10 | N | 98.8 | Very high | 98.3 | Very high | 97 Ų | 97 | 63.1 Ų | 63.1 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 178.8 | -71.1 | -23.6 | 0 | 0 | 0 | 112.2 | L6 R7 V8 I13 E14 | L6-N10 WeakPolarHBondContact O-CB 3.15Å; L6-N10 VanDerWaalsContact O-CG 3.24Å; L6-N10 PolarHBondContact O-N 3.21Å; L6-N10 PolarHBondContact O-ND2 3.44Å; R7-N10 PolarHBondContact O-N 2.75Å; V8-N10 PolarHBondContact O-N 3.5Å; N10-I13 PolarHBondContact O-N 3.07Å; N10-E14 WeakPolarHBondContact O-CB 3.45Å; N10-E14 PolarHBondContact O-N 2.98Å |
| 11 | R | 98.7 | Very high | 98.3 | Very high | 74 Ų | 74 | 64 Ų | 64 | 28% | 0.279 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 173 | -179 | 174.5 | 67.8 | -156 | -0.3 | 111.5 | R7 V8 T9 E14 R15 D321 D322 D325 | R7-R11 WeakPolarHBondContact O-CB 3.41Å; R7-R11 PolarHBondContact O-N 3.04Å; V8-R11 WeakPolarHBondContact O-CB 3.37Å; V8-R11 PolarHBondContact O-N 3.05Å; T9-R11 VanDerWaalsContact C-N 3.32Å; T9-R11 PolarHBondContact O-N 2.89Å; R11-E14 PolarHBondContact O-N 3.19Å; R11-R15 WeakPolarHBondContact O-CB 3.48Å; R11-R15 PolarHBondContact O-N 2.85Å; R11-D321 PolarHBondContact NH2-O 2.93Å; R11-D322 IonicContact CZ-OD1 2.74Å; R11-D322 IonicContact NE-OD1 2.86Å; R11-D322 PolarHBondContact NE-OD1 3.21Å; R11-D322 VanDerWaalsContact NE-OD1 3.09Å; R11-D322 IonicContact NH2-OD1 3.51Å; R11-D322 PolarHBondContact NH2-OD1 3.07Å; R11-D325 IonicContact CZ-OD2 3.69Å; R11-D325 IonicContact NH1-OD2 3.88Å; R11-D325 PolarHBondContact NH1-OD2 3.32Å; R11-D325 IonicContact NH2-OD2 3.17Å; R11-D325 PolarHBondContact NH2-OD2 3.36Å |
| 12 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 176.3 | -66.2 | 163.6 | 0 | 0 | 0 | 110.4 | V8 T9 E14 R15 S16 E284 V288 I316 I318 D322 | V8-I12 HydrophobicContact CG1-CD1 3.81Å; V8-I12 HydrophobicContact CG1-CG1 4.43Å; V8-I12 WeakPolarHBondContact O-CG1 3.36Å; V8-I12 PolarHBondContact O-N 3.46Å; T9-I12 PolarHBondContact O-N 3.45Å; I12-E14 PolarHBondContact O-N 2.68Å; I12-R15 PolarHBondContact O-N 3.17Å; I12-S16 WeakPolarHBondContact O-CB 3.37Å; I12-S16 PolarHBondContact O-N 3.2Å; I12-S16 PolarHBondContact O-OG 3.25Å; I12-E284 HydrophobicContact CG2-CB 4.13Å; I12-E284 HydrophobicContact CG2-CG 3.95Å; I12-V288 HydrophobicContact CD1-CG2 3.6Å; I12-I316 HydrophobicContact CG2-CG2 3.71Å; I12-I318 HydrophobicContact CD1-CG2 3.75Å; I12-I318 HydrophobicContact CG1-CG2 3.99Å; I12-I318 HydrophobicContact CG2-CG2 3.89Å; I12-D322 HydrophobicContact CD1-CB 4.2Å |
| 13 | I | 98.9 | Very high | 98.6 | Very high | 56 Ų | 56 | 60.5 Ų | 60.5 | 29% | 0.287 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58 | -48.5 | 176.8 | -69.4 | 166 | 0 | 0 | 0 | 110.8 | T9 N10 S16 R17 E284 | T9-I13 HydrophobicContact CG2-CD1 4.02Å; T9-I13 WeakPolarHBondContact O-CG1 3.45Å; T9-I13 PolarHBondContact O-N 2.88Å; N10-I13 PolarHBondContact O-N 3.07Å; I13-S16 PolarHBondContact O-N 3.44Å; I13-R17 PolarHBondContact O-N 3.46Å; I13-E284 HydrophobicContact CG1-CB 3.7Å; I13-E284 HydrophobicContact CG1-CG 3.72Å |
| 14 | E | 98.8 | Very high | 98.6 | Very high | 107 Ų | 107 | 58.2 Ų | 58.2 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.2 | -49.9 | 179.7 | -173.9 | 63.1 | -145.5 | 0 | 0 | 111.2 | N10 R11 I12 S16 R17 | N10-E14 WeakPolarHBondContact O-CB 3.45Å; N10-E14 PolarHBondContact O-N 2.98Å; R11-E14 PolarHBondContact O-N 3.19Å; I12-E14 PolarHBondContact O-N 2.68Å; E14-S16 PolarHBondContact O-N 2.94Å; E14-R17 WeakPolarHBondContact O-CB 3.49Å; E14-R17 PolarHBondContact O-N 2.73Å; E14-R17 IonicContact OE1-CZ 3.2Å; E14-R17 IonicContact OE1-NH1 3.76Å; E14-R17 PolarHBondContact OE1-NH1 3.4Å; E14-R17 IonicContact OE1-NH2 2.61Å; E14-R17 IonicContact OE2-CZ 3.83Å; E14-R17 IonicContact OE2-NH1 2.69Å; E14-R17 PolarHBondContact OE2-NH1 2.71Å; E14-R17 IonicContact OE2-NH2 3.9Å; E14-R17 PolarHBondContact OE2-NH2 2.74Å |
| 15 | R | 98.7 | Very high | 98.6 | Very high | 74 Ų | 74 | 58.3 Ų | 58.3 | 28% | 0.279 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.7 | -29.5 | 179.8 | -173.6 | 172.1 | 57.9 | -144.1 | -13.2 | 112.7 | R11 I12 Q317 N319 D322 | R11-R15 WeakPolarHBondContact O-CB 3.48Å; R11-R15 PolarHBondContact O-N 2.85Å; I12-R15 PolarHBondContact O-N 3.17Å; R15-Q317 HydrophobicContact CG-CB 4.17Å; R15-Q317 PolarHBondContact NE-O 3.24Å; R15-Q317 VanDerWaalsContact NE-O 3.08Å; R15-Q317 PolarHBondContact NH2-O 3.14Å; R15-N319 PolarHBondContact NH1-ND2 3.39Å; R15-N319 PolarHBondContact NH1-OD1 3.32Å; R15-D322 IonicContact CZ-OD2 2.77Å; R15-D322 IonicContact NH1-OD1 3.78Å; R15-D322 IonicContact NH1-OD2 3.35Å; R15-D322 IonicContact NH2-OD1 3.71Å; R15-D322 PolarHBondContact NH2-OD1 3.34Å; R15-D322 IonicContact NH2-OD2 2.58Å; R15-D322 PolarHBondContact NH2-OD2 3.35Å |
| 16 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -92.5 | -7.1 | -178.3 | -50.7 | 0 | 0 | 0 | 0 | 113.6 | I12 I13 E14 E18 T19 R20 Q317 | I12-S16 WeakPolarHBondContact O-CB 3.37Å; I12-S16 PolarHBondContact O-N 3.2Å; I12-S16 PolarHBondContact O-OG 3.25Å; I13-S16 PolarHBondContact O-N 3.44Å; E14-S16 PolarHBondContact O-N 2.94Å; S16-E18 VanDerWaalsContact C-N 3.33Å; S16-E18 PolarHBondContact O-N 2.86Å; S16-E18 VanDerWaalsContact O-N 3.15Å; S16-T19 PolarHBondContact O-N 3.29Å; S16-T19 VanDerWaalsContact O-N 3.17Å; S16-T19 PolarHBondContact O-OG1 2.66Å; S16-R20 WeakPolarHBondContact O-CB 3.47Å; S16-R20 PolarHBondContact O-N 2.82Å; S16-Q317 PolarHBondContact OG-N 3.08Å |
| 17 | R | 98.8 | Very high | 98.5 | Very high | 141 Ų | 141 | 61.3 Ų | 61.3 | 53% | 0.532 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -49.2 | -50.3 | -167.1 | 179.4 | -178.1 | -77.5 | 143.2 | 6.9 | 113.2 | I13 E14 S21 | I13-R17 PolarHBondContact O-N 3.46Å; E14-R17 WeakPolarHBondContact O-CB 3.49Å; E14-R17 PolarHBondContact O-N 2.73Å; E14-R17 IonicContact OE1-CZ 3.2Å; E14-R17 IonicContact OE1-NH1 3.76Å; E14-R17 PolarHBondContact OE1-NH1 3.4Å; E14-R17 IonicContact OE1-NH2 2.61Å; E14-R17 IonicContact OE2-CZ 3.83Å; E14-R17 IonicContact OE2-NH1 2.69Å; E14-R17 PolarHBondContact OE2-NH1 2.71Å; E14-R17 IonicContact OE2-NH2 3.9Å; E14-R17 PolarHBondContact OE2-NH2 2.74Å; R17-S21 WeakPolarHBondContact O-CB 3.42Å; R17-S21 PolarHBondContact O-N 3Å |
| 18 | E | 98.6 | Very high | 98.2 | Very high | 168 Ų | 168 | 59.3 Ų | 59.3 | 79% | 0.785 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -69.5 | -50 | -178.2 | -65.2 | -174.2 | 171.5 | 0 | 0 | 112 | S16 R20 S21 A22 | S16-E18 VanDerWaalsContact C-N 3.33Å; S16-E18 PolarHBondContact O-N 2.86Å; S16-E18 VanDerWaalsContact O-N 3.15Å; E18-R20 PolarHBondContact O-N 2.81Å; E18-S21 PolarHBondContact O-N 2.74Å; E18-A22 WeakPolarHBondContact O-CB 3.34Å; E18-A22 PolarHBondContact O-N 2.86Å |
| 19 | T | 98.6 | Very high | 98 | Very high | 54 Ų | 54 | 67.3 Ų | 67.3 | 33% | 0.331 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.6 | -37.4 | -177.6 | 48 | 0 | 0 | 0 | 0 | 112.4 | S16 Y23 G315 Q317 | S16-T19 PolarHBondContact O-N 3.29Å; S16-T19 VanDerWaalsContact O-N 3.17Å; S16-T19 PolarHBondContact O-OG1 2.66Å; T19-Y23 WeakPolarHBondContact O-CB 3.46Å; T19-Y23 PolarHBondContact O-N 3.17Å; T19-G315 CarbonylContact C-O 3.21Å; T19-G315 WeakPolarHBondContact CB-O 3.47Å; T19-G315 PolarHBondContact OG1-O 3.12Å; T19-Q317 VanDerWaalsContact CG2-NE2 3.28Å; T19-Q317 PolarHBondContact OG1-NE2 2.99Å |
| 20 | R | 98.7 | Very high | 97.7 | Very high | 13 Ų | 13 | 69 Ų | 69 | 5% | 0.049 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.4 | -43.4 | 177.3 | -176.8 | 60 | 174.5 | 164.5 | 6.3 | 111.5 | S16 E18 Y23 L24 G279 I282 A314 G315 | S16-R20 WeakPolarHBondContact O-CB 3.47Å; S16-R20 PolarHBondContact O-N 2.82Å; E18-R20 PolarHBondContact O-N 2.81Å; R20-Y23 VanDerWaalsContact NH1-CD1 3.3Å; R20-Y23 VanDerWaalsContact NH1-CE1 3.33Å; R20-Y23 PolarHBondContact O-N 3.17Å; R20-L24 HydrophobicContact CG-CD1 4.17Å; R20-L24 WeakPolarHBondContact O-CG 3.26Å; R20-L24 PolarHBondContact O-N 3.24Å; R20-G279 PolarHBondContact NH1-O 2.92Å; R20-G279 PolarHBondContact NH2-O 3.46Å; R20-I282 PolarHBondContact NH1-O 2.75Å; R20-I282 VanDerWaalsContact NH1-O 3.16Å; R20-I282 PolarHBondContact NH2-O 3.46Å; R20-A314 VanDerWaalsContact CD-O 3.27Å; R20-A314 WeakPolarHBondContact CD-O 3.45Å; R20-A314 PolarHBondContact NH1-O 2.91Å; R20-G315 PolarHBondContact N-O 2.8Å; R20-G315 VanDerWaalsContact N-O 3.16Å |
| 21 | S | 98.7 | Very high | 97.2 | Very high | 82 Ų | 82 | 68.8 Ų | 68.8 | 57% | 0.573 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.3 | -46.4 | 175 | -178 | 0 | 0 | 0 | 0 | 111.4 | R17 E18 Y23 L24 G25 | R17-S21 WeakPolarHBondContact O-CB 3.42Å; R17-S21 PolarHBondContact O-N 3Å; E18-S21 PolarHBondContact O-N 2.74Å; S21-Y23 VanDerWaalsContact C-N 3.35Å; S21-Y23 PolarHBondContact O-N 2.78Å; S21-L24 PolarHBondContact O-N 3.41Å; S21-G25 PolarHBondContact O-N 3.49Å |
| 22 | A | 98.5 | Very high | 96.3 | Very high | 63 Ų | 63 | 66.4 Ų | 66.4 | 52% | 0.521 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | E18 G25 R26 | E18-A22 WeakPolarHBondContact O-CB 3.34Å; E18-A22 PolarHBondContact O-N 2.86Å; A22-G25 PolarHBondContact O-N 2.81Å; A22-R26 PolarHBondContact O-N 2.93Å; A22-R26 VanDerWaalsContact O-N 3.09Å |
| 23 | Y | 98.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 72.3 Ų | 72.3 | 2% | 0.016 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.5 | -51.5 | 175.4 | 175.1 | -95.5 | 0 | 0 | 0 | 112.1 | T19 R20 S21 G25 R26 I27 L166 G169 G279 A313 A314 | T19-Y23 WeakPolarHBondContact O-CB 3.46Å; T19-Y23 PolarHBondContact O-N 3.17Å; R20-Y23 VanDerWaalsContact NH1-CD1 3.3Å; R20-Y23 VanDerWaalsContact NH1-CE1 3.33Å; R20-Y23 PolarHBondContact O-N 3.17Å; S21-Y23 VanDerWaalsContact C-N 3.35Å; S21-Y23 PolarHBondContact O-N 2.78Å; Y23-G25 VanDerWaalsContact C-N 3.27Å; Y23-G25 PolarHBondContact O-N 2.82Å; Y23-R26 WeakPolarHBondContact O-CB 3.2Å; Y23-R26 PolarHBondContact O-N 3.22Å; Y23-I27 HydrophobicContact CD1-CG1 4.11Å; Y23-I27 HydrophobicContact CE1-CD1 4.19Å; Y23-I27 HydrophobicContact CE1-CG1 3.67Å; Y23-I27 HydrophobicContact CE2-CD1 4.06Å; Y23-I27 HydrophobicContact CE2-CG1 4.38Å; Y23-I27 WeakPolarHBondContact O-CG1 3.09Å; Y23-I27 PolarHBondContact O-N 2.87Å; Y23-L166 VanDerWaalsContact CE2-O 3.28Å; Y23-L166 WeakPolarHBondContact CE2-O 3.35Å; Y23-L166 PolarHBondContact OH-O 2.87Å; Y23-G169 WeakPolarHBondContact OH-CA 3.46Å; Y23-G279 WeakPolarHBondContact OH-CA 3.43Å; Y23-A313 WeakPolarHBondContact CE2-O 3.42Å; Y23-A314 VanDerWaalsContact CD1-O 3.26Å; Y23-A314 WeakPolarHBondContact CD1-O 3.41Å; Y23-A314 HydrophobicContact CE1-CB 4.47Å |
| 24 | L | 98.4 | Very high | 94.1 | Very high | 58 Ų | 58 | 73 Ų | 73 | 30% | 0.304 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.3 | -34 | 179.4 | -69.7 | 173 | 0 | 0 | 0 | 112.2 | R20 S21 I27 E28 K280 | R20-L24 HydrophobicContact CG-CD1 4.17Å; R20-L24 WeakPolarHBondContact O-CG 3.26Å; R20-L24 PolarHBondContact O-N 3.24Å; S21-L24 PolarHBondContact O-N 3.41Å; L24-I27 PolarHBondContact O-N 2.89Å; L24-E28 PolarHBondContact O-N 2.9Å; L24-K280 HydrophobicContact CD2-CG 4.17Å |
| 25 | G | 98.2 | Very high | 93.3 | Very high | 40 Ų | 40 | 67.9 Ų | 67.9 | 41% | 0.412 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S21 A22 Y23 I27 E28 Q29 | S21-G25 PolarHBondContact O-N 3.49Å; A22-G25 PolarHBondContact O-N 2.81Å; Y23-G25 VanDerWaalsContact C-N 3.27Å; Y23-G25 PolarHBondContact O-N 2.82Å; G25-I27 VanDerWaalsContact C-N 3.33Å; G25-I27 PolarHBondContact O-N 2.95Å; G25-E28 PolarHBondContact O-N 3.14Å; G25-Q29 WeakPolarHBondContact O-CB 3.36Å; G25-Q29 PolarHBondContact O-N 2.87Å |
| 26 | R | 97 | Very high | 92.4 | Very high | 121 Ų | 121 | 65 Ų | 65 | 46% | 0.457 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 173.3 | -67 | -170.4 | -68 | -165.9 | -5.1 | 111.8 | A22 Y23 Q29 A30 F603 | A22-R26 PolarHBondContact O-N 2.93Å; A22-R26 VanDerWaalsContact O-N 3.09Å; Y23-R26 WeakPolarHBondContact O-CB 3.2Å; Y23-R26 PolarHBondContact O-N 3.22Å; R26-Q29 PolarHBondContact O-N 3.19Å; R26-A30 WeakPolarHBondContact O-CB 3.23Å; R26-A30 PolarHBondContact O-N 2.81Å; R26-F603 PolarHBondContact NH1-OXT 3.16Å; R26-F603 PolarHBondContact NH2-OXT 3.14Å |
| 27 | I | 95.9 | Very high | 91.9 | Very high | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.026 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 179.3 | -62.2 | -35.8 | 0 | 0 | 0 | 111.4 | Y23 L24 G25 Q29 A30 K31 H170 W275 P277 | Y23-I27 HydrophobicContact CD1-CG1 4.11Å; Y23-I27 HydrophobicContact CE1-CD1 4.19Å; Y23-I27 HydrophobicContact CE1-CG1 3.67Å; Y23-I27 HydrophobicContact CE2-CD1 4.06Å; Y23-I27 HydrophobicContact CE2-CG1 4.38Å; Y23-I27 WeakPolarHBondContact O-CG1 3.09Å; Y23-I27 PolarHBondContact O-N 2.87Å; L24-I27 PolarHBondContact O-N 2.89Å; G25-I27 VanDerWaalsContact C-N 3.33Å; G25-I27 PolarHBondContact O-N 2.95Å; I27-Q29 VanDerWaalsContact C-N 3.34Å; I27-A30 PolarHBondContact O-N 3Å; I27-K31 PolarHBondContact O-N 2.93Å; I27-K31 VanDerWaalsContact O-N 3.17Å; I27-H170 HydrophobicContact CG2-CB 4.04Å; I27-W275 HydrophobicContact CG2-CH2 4.43Å; I27-P277 HydrophobicContact CG2-CG 4.4Å |
| 28 | E | 94.3 | Very high | 91.3 | Very high | 87 Ų | 87 | 60.6 Ų | 60.6 | 41% | 0.407 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69 | -33.7 | 177.6 | -162.8 | 64.8 | -152.4 | 0 | 0 | 111.7 | L24 G25 K31 K280 | L24-E28 PolarHBondContact O-N 2.9Å; G25-E28 PolarHBondContact O-N 3.14Å; E28-K31 VanDerWaalsContact O-CB 3.3Å; E28-K31 WeakPolarHBondContact O-CB 3.42Å; E28-K31 PolarHBondContact O-N 3.31Å; E28-K31 VanDerWaalsContact OE1-CD 3.22Å; E28-K31 WeakPolarHBondContact OE1-CD 3.39Å; E28-K31 IonicContact OE1-NZ 2.72Å; E28-K31 PolarHBondContact OE1-NZ 3.24Å; E28-K280 IonicContact OE2-NZ 2.87Å; E28-K280 PolarHBondContact OE2-NZ 3.44Å |
| 29 | Q | 93.8 | Very high | 90.6 | Very high | 168 Ų | 168 | 58.9 Ų | 58.9 | 79% | 0.785 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.8 | -36 | 173.9 | -173.5 | 179.8 | 11.9 | 0 | 0 | 112.6 | G25 R26 I27 K31 | G25-Q29 WeakPolarHBondContact O-CB 3.36Å; G25-Q29 PolarHBondContact O-N 2.87Å; R26-Q29 PolarHBondContact O-N 3.19Å; I27-Q29 VanDerWaalsContact C-N 3.34Å; Q29-K31 VanDerWaalsContact C-N 3.31Å |
| 30 | A | 92.3 | Very high | 90.2 | Very high | 36 Ų | 36 | 57.9 Ų | 57.9 | 30% | 0.298 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -78.6 | -14.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | R26 I27 H36 H170 | R26-A30 WeakPolarHBondContact O-CB 3.23Å; R26-A30 PolarHBondContact O-N 2.81Å; I27-A30 PolarHBondContact O-N 3Å; A30-H36 PolarHBondContact O-CE1 3.15Å; A30-H36 VanDerWaalsContact O-CE1 3.31Å; A30-H170 HydrophobicContact CB-CB 3.85Å; A30-H170 WeakPolarHBondContact CB-ND1 3.36Å |
| 31 | K | 88.2 | Confident | 89.8 | Confident | 93 Ų | 93 | 60.2 Ų | 60.2 | 40% | 0.404 | 35% | 0.351 | S | S | . | . | trans | -60.4 | 135.2 | 177.6 | -176.5 | -171.4 | -177.1 | 178.3 | 0 | 111.2 | I27 E28 Q29 W275 | I27-K31 PolarHBondContact O-N 2.93Å; I27-K31 VanDerWaalsContact O-N 3.17Å; E28-K31 VanDerWaalsContact O-CB 3.3Å; E28-K31 WeakPolarHBondContact O-CB 3.42Å; E28-K31 PolarHBondContact O-N 3.31Å; E28-K31 VanDerWaalsContact OE1-CD 3.22Å; E28-K31 WeakPolarHBondContact OE1-CD 3.39Å; E28-K31 IonicContact OE1-NZ 2.72Å; E28-K31 PolarHBondContact OE1-NZ 3.24Å; Q29-K31 VanDerWaalsContact C-N 3.31Å; K31-W275 HydrophobicContact CB-CH2 3.86Å; K31-W275 HydrophobicContact CB-CZ2 4.02Å; K31-W275 HydrophobicContact CD-CE3 4.06Å; K31-W275 HydrophobicContact CD-CH2 3.56Å; K31-W275 HydrophobicContact CD-CZ2 4.14Å; K31-W275 HydrophobicContact CD-CZ3 3.5Å; K31-W275 HydrophobicContact CG-CH2 3.67Å; K31-W275 HydrophobicContact CG-CZ2 3.76Å; K31-W275 HydrophobicContact CG-CZ3 4.07Å | ||
| 32 | T | 80.8 | Confident | 89.5 | Confident | 24 Ų | 24 | 61.6 Ų | 61.6 | 15% | 0.147 | 36% | 0.359 | C | S | . | . | trans | -106.9 | 150.3 | 172.8 | 55.6 | 0 | 0 | 0 | 0 | 111.4 | T34 H36 | T32-T34 VanDerWaalsContact C-N 3.3Å; T32-T34 VanDerWaalsContact CB-O 3.29Å; T32-T34 WeakPolarHBondContact CB-O 3.48Å; T32-T34 PolarHBondContact OG1-O 2.94Å; T32-H36 WeakPolarHBondContact CG2-ND1 3.49Å; T32-H36 PolarHBondContact OG1-NE2 3.37Å | ||
| 33 | S | 74.2 | Confident | 89.3 | Confident | 125 Ų | 125 | 60.6 Ų | 60.6 | 87% | 0.874 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -82.8 | -9.2 | 173.1 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 34 | T | 76.1 | Confident | 89 | Confident | 69 Ų | 69 | 65.1 Ų | 65.1 | 42% | 0.423 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -139.5 | -165.5 | 177.6 | 67.7 | 0 | 0 | 0 | 0 | 108.7 | T32 S38 | T32-T34 VanDerWaalsContact C-N 3.3Å; T32-T34 VanDerWaalsContact CB-O 3.29Å; T32-T34 WeakPolarHBondContact CB-O 3.48Å; T32-T34 PolarHBondContact OG1-O 2.94Å; T34-S38 PolarHBondContact OG1-OG 3.21Å; T34-S38 VanDerWaalsContact OG1-OG 3.09Å |
| 35 | V | 81.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 37% | 0.368 | C | S | . | . | trans | -63.6 | 141.5 | 173.3 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | R37 S38 M63 D146 N271 | V35-R37 VanDerWaalsContact C-N 3.27Å; V35-R37 HydrophobicContact CB-CG 4.28Å; V35-R37 HydrophobicContact CG2-CG 3.78Å; V35-R37 PolarHBondContact O-N 2.99Å; V35-S38 VanDerWaalsContact O-CB 3.31Å; V35-S38 WeakPolarHBondContact O-CB 3.38Å; V35-S38 PolarHBondContact O-N 3.36Å; V35-S38 VanDerWaalsContact O-N 3.12Å; V35-S38 PolarHBondContact O-OG 2.77Å; V35-M63 WeakPolarHBondContact CG1-O 3.34Å; V35-M63 HydrophobicContact CG2-CB 3.78Å; V35-M63 HydrophobicContact CG2-CG 4.49Å; V35-M63 VanDerWaalsContact CG2-O 3.24Å; V35-M63 WeakPolarHBondContact CG2-O 3.36Å; V35-M63 HydrophobicContact CG2-SD 4.08Å; V35-D146 WeakPolarHBondContact CA-OD1 3.41Å; V35-D146 VanDerWaalsContact CB-OD1 3.3Å; V35-D146 WeakPolarHBondContact CB-OD1 3.49Å; V35-N271 WeakPolarHBondContact CG1-ND2 3.48Å | ||
| 36 | H | 81.3 | Confident | 88.5 | Confident | 13 Ų | 13 | 63.2 Ų | 63.2 | 6% | 0.06 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -58.3 | -40.3 | -176.4 | -82.7 | -87.3 | 0 | 0 | 0 | 112.8 | A30 T32 S38 Q39 F145 D146 H170 | A30-H36 PolarHBondContact O-CE1 3.15Å; A30-H36 VanDerWaalsContact O-CE1 3.31Å; T32-H36 WeakPolarHBondContact CG2-ND1 3.49Å; T32-H36 PolarHBondContact OG1-NE2 3.37Å; H36-S38 PolarHBondContact O-N 2.83Å; H36-Q39 PolarHBondContact O-N 2.79Å; H36-F145 PolarHBondContact CD2-O 2.98Å; H36-D146 IonicContact CD2-OD1 3.24Å; H36-D146 PolarHBondContact N-OD1 3.34Å; H36-H170 AromaticContact CE1-CD2 3.25Å; H36-H170 PolarHBondContact CE1-CD2 3.43Å; H36-H170 AromaticContact CE1-NE2 3.55Å; H36-H170 AromaticContact NE2-CD2 3.55Å |
| 37 | R | 87.7 | Confident | 88.5 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -63.3 | -14.3 | -178.4 | 70.4 | -178.5 | -179.4 | -82.9 | -1.1 | 114.2 | V35 Q39 L40 L45 L60 M63 R65 D146 | V35-R37 VanDerWaalsContact C-N 3.27Å; V35-R37 HydrophobicContact CB-CG 4.28Å; V35-R37 HydrophobicContact CG2-CG 3.78Å; V35-R37 PolarHBondContact O-N 2.99Å; R37-Q39 PolarHBondContact O-N 2.82Å; R37-Q39 VanDerWaalsContact O-N 3.14Å; R37-L40 HydrophobicContact CB-CD1 4.09Å; R37-L40 WeakPolarHBondContact O-CB 3.3Å; R37-L40 PolarHBondContact O-N 3.01Å; R37-L45 HydrophobicContact CB-CD2 3.84Å; R37-L45 HydrophobicContact CG-CD2 4.15Å; R37-L45 WeakPolarHBondContact O-CD2 3.46Å; R37-L60 PolarHBondContact NE-O 2.92Å; R37-L60 PolarHBondContact NH2-O 3.49Å; R37-M63 HydrophobicContact CG-SD 3.76Å; R37-R65 VanDerWaalsContact CZ-O 3.26Å; R37-R65 PolarHBondContact NH1-O 3.26Å; R37-R65 PolarHBondContact NH2-O 2.89Å; R37-D146 IonicContact NH1-OD2 3.7Å; R37-D146 PolarHBondContact NH1-OD2 3.49Å |
| 38 | S | 84.8 | Confident | 88.4 | Confident | 50 Ų | 50 | 65.9 Ų | 65.9 | 35% | 0.35 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -61.2 | -20.4 | 176.6 | 64.1 | 0 | 0 | 0 | 0 | 113.2 | T34 V35 H36 | T34-S38 PolarHBondContact OG1-OG 3.21Å; T34-S38 VanDerWaalsContact OG1-OG 3.09Å; V35-S38 VanDerWaalsContact O-CB 3.31Å; V35-S38 WeakPolarHBondContact O-CB 3.38Å; V35-S38 PolarHBondContact O-N 3.36Å; V35-S38 VanDerWaalsContact O-N 3.12Å; V35-S38 PolarHBondContact O-OG 2.77Å; H36-S38 PolarHBondContact O-N 2.83Å |
| 39 | Q | 85.3 | Confident | 88.4 | Confident | 132 Ų | 132 | 63 Ų | 63 | 62% | 0.617 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -85 | -10.6 | 178 | -58 | -179.8 | 1.8 | 0 | 0 | 113.4 | H36 R37 | H36-Q39 PolarHBondContact O-N 2.79Å; R37-Q39 PolarHBondContact O-N 2.82Å; R37-Q39 VanDerWaalsContact O-N 3.14Å |
| 40 | L | 89 | Confident | 88.5 | Confident | 32 Ų | 32 | 57.7 Ų | 57.7 | 17% | 0.168 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -79.9 | 142.5 | -177.2 | -65.2 | 177.5 | 0 | 0 | 0 | 111.3 | R37 N44 L45 M144 | R37-L40 HydrophobicContact CB-CD1 4.09Å; R37-L40 WeakPolarHBondContact O-CB 3.3Å; R37-L40 PolarHBondContact O-N 3.01Å; L40-N44 HydrophobicContact CB-CB 4.3Å; L40-L45 HydrophobicContact CB-CD1 4.45Å; L40-L45 HydrophobicContact CB-CD2 4.14Å; L40-L45 HydrophobicContact CB-CG 3.81Å; L40-L45 HydrophobicContact CD1-CD2 4.2Å; L40-L45 WeakPolarHBondContact O-CD1 3.39Å; L40-M144 HydrophobicContact CD1-CG 3.73Å |
| 41 | A | 91.6 | Very high | 88.5 | Confident | 63 Ų | 63 | 60.7 Ų | 60.7 | 52% | 0.521 | 39% | 0.385 | S | S | . | . | trans | -60.6 | 149.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G43 N44 L45 | A41-G43 PolarHBondContact O-N 2.88Å; A41-G43 VanDerWaalsContact O-N 3.11Å; A41-N44 WeakPolarHBondContact O-CB 3.4Å; A41-N44 PolarHBondContact O-N 3.48Å; A41-L45 PolarHBondContact O-N 3.37Å | ||
| 42 | C | 91.1 | Very high | 88.9 | Confident | 110 Ų | 110 | 57 Ų | 57 | 74% | 0.743 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -55.6 | -34.4 | -176.9 | -62.4 | 0 | 0 | 0 | 0 | 113.6 | A46 | C42-A46 WeakPolarHBondContact O-CB 3.37Å; C42-A46 PolarHBondContact O-N 3.2Å |
| 43 | G | 94.4 | Very high | 89.5 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 43% | 0.433 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.2 | -50.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | A41 L45 A46 H47 | A41-G43 PolarHBondContact O-N 2.88Å; A41-G43 VanDerWaalsContact O-N 3.11Å; G43-L45 VanDerWaalsContact C-N 3.33Å; G43-L45 PolarHBondContact O-N 2.85Å; G43-A46 PolarHBondContact O-N 3.36Å; G43-A46 VanDerWaalsContact O-N 3.16Å; G43-H47 PolarHBondContact O-CD2 3.37Å; G43-H47 VanDerWaalsContact O-CD2 3.25Å; G43-H47 PolarHBondContact O-N 3.43Å |
| 44 | N | 93.7 | Very high | 90.5 | Very high | 99 Ų | 99 | 61.2 Ų | 61.2 | 53% | 0.529 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 179.1 | -64.3 | -0.1 | 0 | 0 | 0 | 111.5 | L40 A41 A46 H47 G48 | L40-N44 HydrophobicContact CB-CB 4.3Å; A41-N44 WeakPolarHBondContact O-CB 3.4Å; A41-N44 PolarHBondContact O-N 3.48Å; N44-A46 PolarHBondContact O-N 3.33Å; N44-H47 PolarHBondContact O-N 3.36Å; N44-G48 PolarHBondContact O-N 3Å |
| 45 | L | 92.3 | Very high | 91.3 | Very high | 14 Ų | 14 | 64.3 Ų | 64.3 | 7% | 0.073 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58 | -48.3 | 173.7 | -78.4 | 168.1 | 0 | 0 | 0 | 111.8 | R37 L40 A41 G43 H47 G48 F49 M63 | R37-L45 HydrophobicContact CB-CD2 3.84Å; R37-L45 HydrophobicContact CG-CD2 4.15Å; R37-L45 WeakPolarHBondContact O-CD2 3.46Å; L40-L45 HydrophobicContact CB-CD1 4.45Å; L40-L45 HydrophobicContact CB-CD2 4.14Å; L40-L45 HydrophobicContact CB-CG 3.81Å; L40-L45 HydrophobicContact CD1-CD2 4.2Å; L40-L45 WeakPolarHBondContact O-CD1 3.39Å; A41-L45 PolarHBondContact O-N 3.37Å; G43-L45 VanDerWaalsContact C-N 3.33Å; G43-L45 PolarHBondContact O-N 2.85Å; L45-H47 VanDerWaalsContact C-N 3.33Å; L45-H47 PolarHBondContact O-N 2.83Å; L45-G48 PolarHBondContact O-N 2.88Å; L45-G48 VanDerWaalsContact O-N 3.14Å; L45-F49 HydrophobicContact CB-CE1 3.94Å; L45-F49 HydrophobicContact CB-CZ 4.5Å; L45-F49 WeakPolarHBondContact O-CD1 3.34Å; L45-F49 WeakPolarHBondContact O-CE1 3.15Å; L45-F49 WeakPolarHBondContact O-CG 3.38Å; L45-F49 PolarHBondContact O-N 3.13Å; L45-M63 HydrophobicContact CD1-CE 3.41Å; L45-M63 VanDerWaalsContact CD1-CE 3.41Å; L45-M63 HydrophobicContact CD2-CE 3.88Å; L45-M63 HydrophobicContact CG-CE 4.27Å |
| 46 | A | 94.1 | Very high | 92 | Very high | 44 Ų | 44 | 65 Ų | 65 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C42 G43 N44 F49 A50 | C42-A46 WeakPolarHBondContact O-CB 3.37Å; C42-A46 PolarHBondContact O-N 3.2Å; G43-A46 PolarHBondContact O-N 3.36Å; G43-A46 VanDerWaalsContact O-N 3.16Å; N44-A46 PolarHBondContact O-N 3.33Å; A46-F49 HydrophobicContact CB-CE2 4.41Å; A46-F49 HydrophobicContact CB-CZ 4.48Å; A46-A50 WeakPolarHBondContact O-CA 3.3Å; A46-A50 VanDerWaalsContact O-CB 3.32Å; A46-A50 WeakPolarHBondContact O-CB 3.44Å; A46-A50 PolarHBondContact O-N 2.94Å |
| 47 | H | 95.5 | Very high | 92.7 | Very high | 161 Ų | 161 | 67.5 Ų | 67.5 | 75% | 0.745 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.9 | -46.2 | 173.6 | -85.7 | -101.8 | 0 | 0 | 0 | 111.7 | G43 N44 L45 F49 A50 | G43-H47 PolarHBondContact O-CD2 3.37Å; G43-H47 VanDerWaalsContact O-CD2 3.25Å; G43-H47 PolarHBondContact O-N 3.43Å; N44-H47 PolarHBondContact O-N 3.36Å; L45-H47 VanDerWaalsContact C-N 3.33Å; L45-H47 PolarHBondContact O-N 2.83Å; H47-F49 VanDerWaalsContact C-N 3.33Å; H47-F49 PolarHBondContact O-N 3.26Å; H47-A50 WeakPolarHBondContact O-CB 3.4Å; H47-A50 PolarHBondContact O-N 2.99Å |
| 48 | G | 93.7 | Very high | 92.9 | Very high | 22 Ų | 22 | 70.1 Ų | 70.1 | 23% | 0.227 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.6 | -35.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116 | N44 L45 Q103 M144 | N44-G48 PolarHBondContact O-N 3Å; L45-G48 PolarHBondContact O-N 2.88Å; L45-G48 VanDerWaalsContact O-N 3.14Å; G48-Q103 PolarHBondContact O-NE2 3.31Å; G48-M144 WeakPolarHBondContact CA-SD 3.38Å |
| 49 | F | 94.5 | Very high | 93.3 | Very high | 25 Ų | 25 | 68.2 Ų | 68.2 | 11% | 0.11 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 9.4 | 178.3 | 58.8 | -123.1 | 0 | 0 | 0 | 113.9 | L45 A46 H47 A51 C52 K57 L60 K61 | L45-F49 HydrophobicContact CB-CE1 3.94Å; L45-F49 HydrophobicContact CB-CZ 4.5Å; L45-F49 WeakPolarHBondContact O-CD1 3.34Å; L45-F49 WeakPolarHBondContact O-CE1 3.15Å; L45-F49 WeakPolarHBondContact O-CG 3.38Å; L45-F49 PolarHBondContact O-N 3.13Å; A46-F49 HydrophobicContact CB-CE2 4.41Å; A46-F49 HydrophobicContact CB-CZ 4.48Å; H47-F49 VanDerWaalsContact C-N 3.33Å; H47-F49 PolarHBondContact O-N 3.26Å; F49-A51 PolarHBondContact O-N 3.16Å; F49-C52 HydrophobicContact CB-CB 4.28Å; F49-C52 VanDerWaalsContact O-CB 3.27Å; F49-C52 WeakPolarHBondContact O-CB 3.34Å; F49-C52 PolarHBondContact O-N 3.37Å; F49-K57 HydrophobicContact CB-CG 4.41Å; F49-K57 HydrophobicContact CD2-CB 4.5Å; F49-K57 HydrophobicContact CD2-CG 3.96Å; F49-K57 HydrophobicContact CG-CG 4.46Å; F49-K57 WeakPolarHBondContact O-CE 3.36Å; F49-K57 WeakPolarHBondContact O-CG 3.01Å; F49-L60 HydrophobicContact CB-CB 4.43Å; F49-L60 HydrophobicContact CB-CD1 3.57Å; F49-L60 HydrophobicContact CD1-CB 3.96Å; F49-L60 HydrophobicContact CG-CD1 4.5Å; F49-K61 HydrophobicContact CE1-CG 3.77Å; F49-K61 HydrophobicContact CE2-CG 4.35Å; F49-K61 HydrophobicContact CZ-CD 4.15Å; F49-K61 HydrophobicContact CZ-CG 3.61Å |
| 50 | A | 95.4 | Very high | 93.7 | Very high | 58 Ų | 58 | 61.9 Ų | 61.9 | 48% | 0.479 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -38.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113 | A46 H47 K57 | A46-A50 WeakPolarHBondContact O-CA 3.3Å; A46-A50 VanDerWaalsContact O-CB 3.32Å; A46-A50 WeakPolarHBondContact O-CB 3.44Å; A46-A50 PolarHBondContact O-N 2.94Å; H47-A50 WeakPolarHBondContact O-CB 3.4Å; H47-A50 PolarHBondContact O-N 2.99Å; A50-K57 WeakPolarHBondContact O-CE 2.94Å; A50-K57 PolarHBondContact O-NZ 2.98Å |
| 51 | A | 94.1 | Very high | 93.8 | Very high | 99 Ų | 99 | 66.3 Ų | 66.3 | 82% | 0.818 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -9.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F49 | F49-A51 PolarHBondContact O-N 3.16Š|
| 52 | C | 94.8 | Very high | 93.7 | Very high | 16 Ų | 16 | 66 Ų | 66 | 11% | 0.108 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -67.4 | 153.5 | -179.3 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | F49 D56 K57 Q103 | F49-C52 HydrophobicContact CB-CB 4.28Å; F49-C52 VanDerWaalsContact O-CB 3.27Å; F49-C52 WeakPolarHBondContact O-CB 3.34Å; F49-C52 PolarHBondContact O-N 3.37Å; C52-D56 HydrophobicContact CB-CB 3.73Å; C52-K57 HydrophobicContact CB-CG 3.89Å; C52-K57 WeakPolarHBondContact O-CD 3.35Å; C52-K57 WeakPolarHBondContact O-CE 3.12Å; C52-K57 PolarHBondContact O-NZ 3.44Å; C52-Q103 PolarHBondContact SG-NE2 3.01Å; C52-Q103 VanDerWaalsContact SG-NE2 3.38Å |
| 53 | Q | 94.1 | Very high | 93.5 | Very high | 136 Ų | 136 | 63.1 Ų | 63.1 | 64% | 0.636 | 37% | 0.374 | S | S | * | . | trans | -64.4 | 158.8 | 172.3 | -62.8 | -60.5 | -26.9 | 0 | 0 | 110.7 | E55 D56 K57 | Q53-E55 VanDerWaalsContact C-N 3.27Å; Q53-E55 PolarHBondContact O-N 3.11Å; Q53-D56 PolarHBondContact O-N 3.14Å; Q53-D56 VanDerWaalsContact O-N 3.15Å; Q53-K57 PolarHBondContact O-N 3.32Å | ||
| 54 | P | 95.2 | Very high | 93.1 | Very high | 100 Ų | 100 | 67.4 Ų | 67.4 | 65% | 0.649 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -53.7 | -39.2 | -175.8 | -29.2 | 36.3 | 0 | 0 | 0 | 114.7 | K57 A58 | P54-K57 PolarHBondContact O-N 3.47Å; P54-A58 PolarHBondContact O-N 3.01Å |
| 55 | E | 93.9 | Very high | 92.8 | Very high | 135 Ų | 135 | 66.3 Ų | 66.3 | 63% | 0.631 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68 | -43.5 | 178.7 | -174.9 | 173.2 | -175.2 | 0 | 0 | 112.5 | Q53 K57 A58 S59 | Q53-E55 VanDerWaalsContact C-N 3.27Å; Q53-E55 PolarHBondContact O-N 3.11Å; E55-K57 VanDerWaalsContact C-N 3.34Å; E55-K57 PolarHBondContact O-N 3.01Å; E55-A58 PolarHBondContact O-N 3.09Å; E55-S59 WeakPolarHBondContact O-CB 3.14Å; E55-S59 PolarHBondContact O-N 3.06Å; E55-S59 PolarHBondContact O-OG 2.66Å |
| 56 | D | 95.4 | Very high | 92.8 | Very high | 14 Ų | 14 | 66.4 Ų | 66.4 | 8% | 0.075 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 174.4 | -74.1 | -20.2 | 0 | 0 | 0 | 111.1 | C52 Q53 A58 S59 L60 H96 V101 | C52-D56 HydrophobicContact CB-CB 3.73Å; Q53-D56 PolarHBondContact O-N 3.14Å; Q53-D56 VanDerWaalsContact O-N 3.15Å; D56-A58 VanDerWaalsContact C-N 3.32Å; D56-A58 PolarHBondContact O-N 3.2Å; D56-S59 WeakPolarHBondContact O-CB 3.44Å; D56-S59 PolarHBondContact O-N 3.2Å; D56-L60 WeakPolarHBondContact O-CB 3.28Å; D56-L60 VanDerWaalsContact O-CG 3.3Å; D56-L60 WeakPolarHBondContact O-CG 3.34Å; D56-L60 PolarHBondContact O-N 3.46Å; D56-H96 IonicContact OD1-CD2 2.75Å; D56-H96 IonicContact OD1-CE1 3.15Å; D56-H96 IonicContact OD1-NE2 2.71Å; D56-H96 PolarHBondContact OD1-NE2 3.37Å; D56-H96 IonicContact OD2-CE1 3.26Å; D56-H96 IonicContact OD2-NE2 2.73Å; D56-H96 PolarHBondContact OD2-NE2 2.82Å; D56-V101 HydrophobicContact CB-CG1 4.06Å; D56-V101 HydrophobicContact CB-CG2 4.3Å |
| 57 | K | 95.2 | Very high | 92.9 | Very high | 66 Ų | 66 | 64.3 Ų | 64.3 | 29% | 0.287 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 174.4 | -74.3 | 176.2 | 172 | 158.8 | 0 | 111.3 | F49 A50 C52 Q53 P54 E55 K61 | F49-K57 HydrophobicContact CB-CG 4.41Å; F49-K57 HydrophobicContact CD2-CB 4.5Å; F49-K57 HydrophobicContact CD2-CG 3.96Å; F49-K57 HydrophobicContact CG-CG 4.46Å; F49-K57 WeakPolarHBondContact O-CE 3.36Å; F49-K57 WeakPolarHBondContact O-CG 3.01Å; A50-K57 WeakPolarHBondContact O-CE 2.94Å; A50-K57 PolarHBondContact O-NZ 2.98Å; C52-K57 HydrophobicContact CB-CG 3.89Å; C52-K57 WeakPolarHBondContact O-CD 3.35Å; C52-K57 WeakPolarHBondContact O-CE 3.12Å; C52-K57 PolarHBondContact O-NZ 3.44Å; Q53-K57 PolarHBondContact O-N 3.32Å; P54-K57 PolarHBondContact O-N 3.47Å; E55-K57 VanDerWaalsContact C-N 3.34Å; E55-K57 PolarHBondContact O-N 3.01Å; K57-K61 VanDerWaalsContact O-CB 3.3Å; K57-K61 WeakPolarHBondContact O-CB 3.43Å; K57-K61 WeakPolarHBondContact O-CE 3.36Å; K57-K61 WeakPolarHBondContact O-CG 3.29Å; K57-K61 PolarHBondContact O-N 3.13Å |
| 58 | A | 93.4 | Very high | 93 | Very high | 54 Ų | 54 | 56.7 Ų | 56.7 | 45% | 0.446 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P54 E55 D56 K61 S62 | P54-A58 PolarHBondContact O-N 3.01Å; E55-A58 PolarHBondContact O-N 3.09Å; D56-A58 VanDerWaalsContact C-N 3.32Å; D56-A58 PolarHBondContact O-N 3.2Å; A58-K61 PolarHBondContact O-N 2.96Å; A58-S62 PolarHBondContact O-N 2.72Å; A58-S62 VanDerWaalsContact O-N 3.11Å |
| 59 | S | 92.6 | Very high | 93.2 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 7% | 0.07 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 177 | -67.5 | 0 | 0 | 0 | 0 | 113 | E55 D56 S62 R65 | E55-S59 WeakPolarHBondContact O-CB 3.14Å; E55-S59 PolarHBondContact O-N 3.06Å; E55-S59 PolarHBondContact O-OG 2.66Å; D56-S59 WeakPolarHBondContact O-CB 3.44Å; D56-S59 PolarHBondContact O-N 3.2Å; S59-S62 PolarHBondContact O-OG 2.95Å; S59-R65 WeakPolarHBondContact OG-CD 3.43Å; S59-R65 PolarHBondContact OG-NH1 3.09Å |
| 60 | L | 93.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72.2 | -39.6 | 179.9 | -68.2 | 175.6 | 0 | 0 | 0 | 111.6 | R37 F49 D56 S62 M63 N67 V101 | R37-L60 PolarHBondContact NE-O 2.92Å; R37-L60 PolarHBondContact NH2-O 3.49Å; F49-L60 HydrophobicContact CB-CB 4.43Å; F49-L60 HydrophobicContact CB-CD1 3.57Å; F49-L60 HydrophobicContact CD1-CB 3.96Å; F49-L60 HydrophobicContact CG-CD1 4.5Å; D56-L60 WeakPolarHBondContact O-CB 3.28Å; D56-L60 VanDerWaalsContact O-CG 3.3Å; D56-L60 WeakPolarHBondContact O-CG 3.34Å; D56-L60 PolarHBondContact O-N 3.46Å; L60-S62 VanDerWaalsContact C-N 3.3Å; L60-S62 PolarHBondContact O-N 3.14Å; L60-M63 PolarHBondContact O-N 2.65Å; L60-N67 HydrophobicContact CD2-CB 3.59Å; L60-V101 HydrophobicContact CD1-CG1 4.15Å; L60-V101 HydrophobicContact CD2-CB 4.08Å; L60-V101 HydrophobicContact CD2-CG1 4.33Å; L60-V101 HydrophobicContact CD2-CG2 4.22Å; L60-V101 HydrophobicContact CG-CB 4.4Å; L60-V101 HydrophobicContact CG-CG1 4.31Å; L60-V101 HydrophobicContact CG-CG2 4.22Å |
| 61 | K | 91.9 | Very high | 93.6 | Very high | 125 Ų | 125 | 51.7 Ų | 51.7 | 54% | 0.543 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.5 | -30.9 | 176.1 | -77.5 | -178.2 | -63 | 176.5 | 0 | 113.7 | F49 K57 A58 M63 | F49-K61 HydrophobicContact CE1-CG 3.77Å; F49-K61 HydrophobicContact CE2-CG 4.35Å; F49-K61 HydrophobicContact CZ-CD 4.15Å; F49-K61 HydrophobicContact CZ-CG 3.61Å; K57-K61 VanDerWaalsContact O-CB 3.3Å; K57-K61 WeakPolarHBondContact O-CB 3.43Å; K57-K61 WeakPolarHBondContact O-CE 3.36Å; K57-K61 WeakPolarHBondContact O-CG 3.29Å; K57-K61 PolarHBondContact O-N 3.13Å; A58-K61 PolarHBondContact O-N 2.96Å; K61-M63 PolarHBondContact O-N 3.34Å |
| 62 | S | 88.5 | Confident | 93.8 | Very high | 55 Ų | 55 | 47.8 Ų | 47.8 | 39% | 0.385 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -16.8 | -178.8 | 73.5 | 0 | 0 | 0 | 0 | 113.1 | A58 S59 L60 L64 | A58-S62 PolarHBondContact O-N 2.72Å; A58-S62 VanDerWaalsContact O-N 3.11Å; S59-S62 PolarHBondContact O-OG 2.95Å; L60-S62 VanDerWaalsContact C-N 3.3Å; L60-S62 PolarHBondContact O-N 3.14Å; S62-L64 WeakPolarHBondContact O-CG 3.26Å; S62-L64 PolarHBondContact O-N 3.47Å; S62-L64 VanDerWaalsContact O-N 3.14Å; S62-L64 PolarHBondContact OG-N 3.12Å |
| 63 | M | 87.9 | Confident | 94 | Very high | 51 Ų | 51 | 47 Ų | 47 | 25% | 0.251 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 14.7 | -174.3 | -51.8 | -56.2 | 167.3 | 0 | 0 | 114.6 | V35 R37 L45 L60 K61 | V35-M63 WeakPolarHBondContact CG1-O 3.34Å; V35-M63 HydrophobicContact CG2-CB 3.78Å; V35-M63 HydrophobicContact CG2-CG 4.49Å; V35-M63 VanDerWaalsContact CG2-O 3.24Å; V35-M63 WeakPolarHBondContact CG2-O 3.36Å; V35-M63 HydrophobicContact CG2-SD 4.08Å; R37-M63 HydrophobicContact CG-SD 3.76Å; L45-M63 HydrophobicContact CD1-CE 3.41Å; L45-M63 VanDerWaalsContact CD1-CE 3.41Å; L45-M63 HydrophobicContact CD2-CE 3.88Å; L45-M63 HydrophobicContact CG-CE 4.27Å; L60-M63 PolarHBondContact O-N 2.65Å; K61-M63 PolarHBondContact O-N 3.34Å |
| 64 | L | 85.1 | Confident | 94.2 | Very high | 132 Ų | 132 | 44.9 Ų | 44.9 | 69% | 0.691 | 23% | 0.232 | S | C | * | . | trans | -101.2 | -33.7 | -178 | -63.5 | 174.2 | 0 | 0 | 0 | 113 | S62 | S62-L64 WeakPolarHBondContact O-CG 3.26Å; S62-L64 PolarHBondContact O-N 3.47Å; S62-L64 VanDerWaalsContact O-N 3.14Å; S62-L64 PolarHBondContact OG-N 3.12Å | ||
| 65 | R | 89 | Confident | 94.3 | Very high | 76 Ų | 76 | 42.1 Ų | 42.1 | 29% | 0.287 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -90.9 | 146.7 | -174.3 | -69 | -173.9 | 173.6 | -165.6 | -3.3 | 111.9 | R37 S59 N99 | R37-R65 VanDerWaalsContact CZ-O 3.26Å; R37-R65 PolarHBondContact NH1-O 3.26Å; R37-R65 PolarHBondContact NH2-O 2.89Å; S59-R65 WeakPolarHBondContact OG-CD 3.43Å; S59-R65 PolarHBondContact OG-NH1 3.09Å; R65-N99 WeakPolarHBondContact CB-O 3.47Å; R65-N99 VanDerWaalsContact CD-O 3.25Å; R65-N99 WeakPolarHBondContact CD-O 3.28Å; R65-N99 VanDerWaalsContact CG-O 3.29Å; R65-N99 WeakPolarHBondContact CG-O 3.49Å; R65-N99 PolarHBondContact NH2-OD1 2.8Å |
| 66 | N | 92.4 | Very high | 94.4 | Very high | 16 Ų | 16 | 40.8 Ų | 40.8 | 9% | 0.086 | 21% | 0.209 | C | C | . | . | trans | -66.6 | 141.7 | 174.4 | -67.9 | -33.5 | 0 | 0 | 0 | 111.1 | I68 A100 V101 D146 T269 N271 | N66-I68 HydrophobicContact CB-CD1 4.24Å; N66-A100 HydrophobicContact CB-CB 4.11Å; N66-V101 PolarHBondContact O-N 2.89Å; N66-D146 WeakPolarHBondContact CA-OD2 3.48Å; N66-D146 HydrophobicContact CB-CB 4.38Å; N66-T269 PolarHBondContact ND2-OG1 2.96Å; N66-T269 PolarHBondContact OD1-OG1 3.39Å; N66-N271 WeakPolarHBondContact OD1-CB 3.24Å; N66-N271 PolarHBondContact OD1-ND2 2.86Å | ||
| 67 | N | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 121.1 | 165.7 | -168.2 | 20.8 | 0 | 0 | 0 | 109.6 | L60 V101 Q103 M144 F145 D146 | L60-N67 HydrophobicContact CD2-CB 3.59Å; N67-V101 CarbonylContact C-O 3.6Å; N67-V101 WeakPolarHBondContact CA-O 3.22Å; N67-V101 PolarHBondContact OD1-O 3.22Å; N67-Q103 PolarHBondContact ND2-OE1 3.25Å; N67-Q103 PolarHBondContact OD1-OE1 3.5Å; N67-M144 WeakPolarHBondContact CB-O 3.41Å; N67-M144 PolarHBondContact ND2-O 3.15Å; N67-M144 VanDerWaalsContact ND2-O 3.1Å; N67-F145 CarbonylContact O-C 3.54Å; N67-F145 VanDerWaalsContact O-CA 3.26Å; N67-F145 WeakPolarHBondContact O-CA 3.4Å; N67-D146 PolarHBondContact N-OD2 2.92Å; N67-D146 PolarHBondContact O-N 2.94Å |
| 68 | I | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 124.4 | -175 | -56.6 | -54.8 | 0 | 0 | 0 | 109.5 | N66 L95 V101 G102 Q103 G147 L149 V265 T266 T269 | N66-I68 HydrophobicContact CB-CD1 4.24Å; I68-L95 HydrophobicContact CB-CD1 3.88Å; I68-L95 HydrophobicContact CB-CD2 4.15Å; I68-L95 HydrophobicContact CG1-CD1 4.28Å; I68-L95 HydrophobicContact CG1-CD2 3.66Å; I68-L95 HydrophobicContact CG2-CD1 4.36Å; I68-V101 PolarHBondContact N-O 3.31Å; I68-G102 WeakPolarHBondContact O-CA 3.29Å; I68-Q103 PolarHBondContact O-N 2.84Å; I68-G147 WeakPolarHBondContact CA-O 3.38Å; I68-L149 HydrophobicContact CG2-CD1 4.06Å; I68-L149 HydrophobicContact CG2-CG 4.03Å; I68-V265 HydrophobicContact CD1-CG1 4.14Å; I68-V265 HydrophobicContact CG1-CG1 4.17Å; I68-V265 HydrophobicContact CG2-CG1 3.78Å; I68-T266 HydrophobicContact CD1-CG2 4.14Å; I68-T266 HydrophobicContact CG1-CG2 3.92Å; I68-T269 HydrophobicContact CD1-CG2 4.29Å |
| 69 | A | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 137.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q103 A105 L140 F145 G147 A148 L149 | A69-Q103 CarbonylContact C-O 3.54Å; A69-A105 HydrophobicContact CB-CB 3.68Å; A69-L140 HydrophobicContact CB-CD2 3.59Å; A69-F145 HydrophobicContact CB-CB 3.98Å; A69-F145 HydrophobicContact CB-CD1 3.79Å; A69-F145 HydrophobicContact CB-CD2 3.78Å; A69-F145 HydrophobicContact CB-CE1 4.2Å; A69-F145 HydrophobicContact CB-CE2 4.18Å; A69-F145 HydrophobicContact CB-CG 3.57Å; A69-F145 HydrophobicContact CB-CZ 4.39Å; A69-G147 PolarHBondContact N-O 3.21Å; A69-A148 HydrophobicContact CB-CB 3.94Å; A69-A148 CarbonylContact O-C 3.56Å; A69-A148 WeakPolarHBondContact O-CA 3.41Å; A69-L149 PolarHBondContact O-N 3.25Å |
| 70 | I | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 112.3 | 165.5 | -52 | 169.3 | 0 | 0 | 0 | 106.8 | P88 I91 Q103 V104 A105 L151 | I70-P88 HydrophobicContact CD1-CB 4.28Å; I70-I91 HydrophobicContact CD1-CB 4.13Å; I70-I91 HydrophobicContact CD1-CD1 4.48Å; I70-I91 HydrophobicContact CD1-CG2 3.58Å; I70-I91 HydrophobicContact CG1-CG2 4Å; I70-I91 HydrophobicContact CG2-CD1 4.34Å; I70-Q103 PolarHBondContact N-O 2.95Å; I70-V104 HydrophobicContact CB-CG2 4.31Å; I70-V104 WeakPolarHBondContact O-CA 3.49Å; I70-A105 PolarHBondContact O-N 3.15Å; I70-L151 HydrophobicContact CG2-CD1 3.62Å; I70-L151 HydrophobicContact CG2-CG 4.02Å |
| 71 | I | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 114.1 | 171.4 | -58.3 | -64.1 | 0 | 0 | 0 | 107.1 | A105 V108 A136 L140 L149 F150 L151 L161 | I71-A105 HydrophobicContact CD1-CB 3.77Å; I71-V108 HydrophobicContact CG2-CG1 3.73Å; I71-A136 HydrophobicContact CG2-CB 3.96Å; I71-L140 HydrophobicContact CD1-CD2 4.2Å; I71-L140 HydrophobicContact CD1-CG 4.13Å; I71-L140 HydrophobicContact CG1-CD2 4.23Å; I71-L140 HydrophobicContact CG1-CG 4.33Å; I71-L149 PolarHBondContact N-O 3.28Å; I71-F150 HydrophobicContact CB-CD1 4Å; I71-F150 HydrophobicContact CB-CE1 4.22Å; I71-F150 HydrophobicContact CG1-CD1 4.3Å; I71-F150 HydrophobicContact CG1-CE1 4.02Å; I71-F150 HydrophobicContact CG2-CD1 4.33Å; I71-L151 PolarHBondContact O-N 3.41Å; I71-L161 HydrophobicContact CG2-CD2 3.7Å |
| 72 | T | 98.8 | Very high | 95.1 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 10% | 0.104 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 135.7 | -173.4 | -176.5 | 0 | 0 | 0 | 0 | 112 | Y74 V104 G106 G107 V108 | T72-Y74 WeakPolarHBondContact OG1-CB 3.33Å; T72-Y74 PolarHBondContact OG1-N 3.18Å; T72-Y74 VanDerWaalsContact OG1-N 3.1Å; T72-V104 HydrophobicContact CG2-CG1 4.13Å; T72-G106 PolarHBondContact N-O 2.79Å; T72-G107 CarbonylContact O-C 3.51Å; T72-G107 VanDerWaalsContact O-CA 3.32Å; T72-G107 WeakPolarHBondContact O-CA 3.39Å; T72-V108 PolarHBondContact O-N 3.03Å |
| 73 | S | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -102.2 | 33.2 | 165.6 | 63.8 | 0 | 0 | 0 | 0 | 111.9 | N75 H81 V108 A110 L151 G152 I157 | S73-N75 PolarHBondContact O-N 3.5Å; S73-H81 VanDerWaalsContact O-CB 3.29Å; S73-H81 WeakPolarHBondContact O-CB 3.35Å; S73-H81 PolarHBondContact O-CD2 3.35Å; S73-H81 PolarHBondContact OG-CD2 3Å; S73-H81 PolarHBondContact OG-NE2 3.24Å; S73-V108 VanDerWaalsContact CB-CG2 3.47Å; S73-A110 VanDerWaalsContact O-CB 3.26Å; S73-A110 WeakPolarHBondContact O-CB 3.32Å; S73-L151 PolarHBondContact N-O 3.28Å; S73-L151 PolarHBondContact OG-O 3.08Å; S73-G152 VanDerWaalsContact OG-CA 3.27Å; S73-G152 WeakPolarHBondContact OG-CA 3.42Å; S73-I157 WeakPolarHBondContact OG-CG2 3.17Å | ||
| 74 | Y | 98.3 | Very high | 96 | Very high | 91 Ų | 91 | 35 Ų | 35 | 36% | 0.357 | 18% | 0.177 | S | C | . | . | trans | -52.1 | 131.8 | 173.7 | 168.6 | -111.7 | 0 | 0 | 0 | 111.5 | T72 Q82 E85 | T72-Y74 WeakPolarHBondContact OG1-CB 3.33Å; T72-Y74 PolarHBondContact OG1-N 3.18Å; T72-Y74 VanDerWaalsContact OG1-N 3.1Å; Y74-Q82 WeakPolarHBondContact CE2-O 3.44Å; Y74-E85 HydrophobicContact CD2-CB 3.99Å; Y74-E85 HydrophobicContact CE2-CB 3.47Å; Y74-E85 VanDerWaalsContact CE2-CB 3.47Å; Y74-E85 HydrophobicContact CE2-CG 3.95Å | ||
| 75 | N | 97.5 | Very high | 96.6 | Very high | 43 Ų | 43 | 32.8 Ų | 32.8 | 23% | 0.23 | 16% | 0.163 | C | C | . | . | trans | -154.8 | 117.7 | 173.7 | -176.3 | -41.1 | 0 | 0 | 0 | 108.6 | S73 M77 L78 H81 Q82 A110 | S73-N75 PolarHBondContact O-N 3.5Å; N75-M77 VanDerWaalsContact C-N 3.28Å; N75-M77 PolarHBondContact O-N 3.03Å; N75-M77 WeakPolarHBondContact OD1-CB 3.45Å; N75-M77 PolarHBondContact OD1-N 3.1Å; N75-L78 HydrophobicContact CB-CB 4.3Å; N75-L78 HydrophobicContact CB-CD1 4.19Å; N75-L78 HydrophobicContact CB-CG 4.12Å; N75-L78 PolarHBondContact O-N 3.37Å; N75-H81 HydrophobicContact CB-CB 4.34Å; N75-Q82 WeakPolarHBondContact O-CA 3.44Å; N75-Q82 PolarHBondContact O-N 3.35Å; N75-Q82 VanDerWaalsContact O-N 3.16Å; N75-A110 HydrophobicContact CB-CB 3.86Å | ||
| 76 | D | 95.9 | Very high | 97 | Very high | 107 Ų | 107 | 33.9 Ų | 33.9 | 57% | 0.572 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -31.5 | -175.6 | -171.2 | 40.2 | 0 | 0 | 0 | 113.7 | ||
| 77 | M | 95.1 | Very high | 97.2 | Very high | 134 Ų | 134 | 33.4 Ų | 33.4 | 66% | 0.66 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -27.8 | 179.5 | 176.4 | -175.6 | 48.6 | 0 | 0 | 112.5 | N75 | N75-M77 VanDerWaalsContact C-N 3.28Å; N75-M77 PolarHBondContact O-N 3.03Å; N75-M77 WeakPolarHBondContact OD1-CB 3.45Å; N75-M77 PolarHBondContact OD1-N 3.1Å |
| 78 | L | 95.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | trans | -96.7 | 112.5 | -169.9 | -59 | -172.2 | 0 | 0 | 0 | 110.1 | N75 A80 H81 Q82 A110 C112 V115 | N75-L78 HydrophobicContact CB-CB 4.3Å; N75-L78 HydrophobicContact CB-CD1 4.19Å; N75-L78 HydrophobicContact CB-CG 4.12Å; N75-L78 PolarHBondContact O-N 3.37Å; L78-A80 PolarHBondContact O-N 3.45Å; L78-H81 HydrophobicContact CB-CB 4.23Å; L78-H81 CarbonylContact O-C 3.54Å; L78-H81 PolarHBondContact O-N 3.19Å; L78-Q82 PolarHBondContact O-N 3.18Å; L78-A110 HydrophobicContact CD1-CB 3.76Å; L78-A110 WeakPolarHBondContact CD1-O 3.21Å; L78-C112 HydrophobicContact CD1-CB 3.85Å; L78-C112 HydrophobicContact CD2-CB 3.41Å; L78-C112 VanDerWaalsContact CD2-CB 3.41Å; L78-C112 HydrophobicContact CG-CB 4.16Å; L78-V115 HydrophobicContact CD2-CG2 3.85Å | ||
| 79 | S | 95.1 | Very high | 97.4 | Very high | 41 Ų | 41 | 40 Ų | 40 | 29% | 0.287 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -40.1 | -177 | 68.3 | 0 | 0 | 0 | 0 | 113.5 | H81 P83 G219 | S79-H81 VanDerWaalsContact C-N 3.27Å; S79-H81 PolarHBondContact O-N 3.46Å; S79-P83 WeakPolarHBondContact O-CD 3.33Å; S79-G219 CarbonylContact C-O 3.1Å; S79-G219 PolarHBondContact O-N 3.39Å; S79-G219 PolarHBondContact OG-O 2.78Å |
| 80 | A | 95.6 | Very high | 97.4 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 8% | 0.083 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -13.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L78 V153 S178 G219 T220 | L78-A80 PolarHBondContact O-N 3.45Å; A80-V153 HydrophobicContact CB-CG2 3.9Å; A80-V153 VanDerWaalsContact O-CG2 3.3Å; A80-V153 WeakPolarHBondContact O-CG2 3.35Å; A80-S178 PolarHBondContact O-OG 2.93Å; A80-G219 WeakPolarHBondContact CA-O 3.48Å; A80-G219 PolarHBondContact N-O 3.21Å; A80-T220 HydrophobicContact CB-CG2 3.88Å |
| 81 | H | 97.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | -18.4 | -173.3 | -69.6 | 76.9 | 0 | 0 | 0 | 113.8 | S73 N75 L78 S79 P83 Y84 V153 C154 I157 | S73-H81 VanDerWaalsContact O-CB 3.29Å; S73-H81 WeakPolarHBondContact O-CB 3.35Å; S73-H81 PolarHBondContact O-CD2 3.35Å; S73-H81 PolarHBondContact OG-CD2 3Å; S73-H81 PolarHBondContact OG-NE2 3.24Å; N75-H81 HydrophobicContact CB-CB 4.34Å; L78-H81 HydrophobicContact CB-CB 4.23Å; L78-H81 CarbonylContact O-C 3.54Å; L78-H81 PolarHBondContact O-N 3.19Å; S79-H81 VanDerWaalsContact C-N 3.27Å; S79-H81 PolarHBondContact O-N 3.46Å; H81-P83 VanDerWaalsContact C-N 3.27Å; H81-Y84 HydrophobicContact CB-CD2 4.24Å; H81-Y84 AromaticContact CD2-CD2 3.76Å; H81-Y84 AromaticContact CD2-CE2 3.55Å; H81-Y84 WeakPolarHBondContact O-CB 3.37Å; H81-Y84 PolarHBondContact O-N 3.31Å; H81-Y84 VanDerWaalsContact O-N 3.13Å; H81-V153 PolarHBondContact NE2-N 3.31Å; H81-V153 VanDerWaalsContact NE2-N 3.17Å; H81-C154 PolarHBondContact CE1-N 3.27Å; H81-C154 VanDerWaalsContact CE1-N 3.32Å; H81-I157 VanDerWaalsContact CE1-CD1 3.4Å; H81-I157 WeakPolarHBondContact CE1-CD1 3.19Å; H81-I157 VanDerWaalsContact NE2-CD1 3.26Å; H81-I157 WeakPolarHBondContact NE2-CD1 3.48Å |
| 82 | Q | 97.3 | Very high | 97.3 | Very high | 47 Ų | 47 | 46.7 Ų | 46.7 | 22% | 0.22 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -52.7 | -40.1 | 170.7 | -173.9 | -78.3 | -32.7 | 0 | 0 | 112.2 | Y74 N75 L78 Y84 E85 | Y74-Q82 WeakPolarHBondContact CE2-O 3.44Å; N75-Q82 WeakPolarHBondContact O-CA 3.44Å; N75-Q82 PolarHBondContact O-N 3.35Å; N75-Q82 VanDerWaalsContact O-N 3.16Å; L78-Q82 PolarHBondContact O-N 3.18Å; Q82-Y84 PolarHBondContact O-N 3.06Å; Q82-E85 PolarHBondContact NE2-OE2 2.88Å; Q82-E85 PolarHBondContact O-N 2.93Å; Q82-E85 VanDerWaalsContact O-N 3.13Å |
| 83 | P | 97.2 | Very high | 97.3 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 10% | 0.097 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -55.7 | -24.9 | 178 | -29.7 | 36.6 | 0 | 0 | 0 | 114.9 | S79 H81 E85 Y87 P218 P249 | S79-P83 WeakPolarHBondContact O-CD 3.33Å; H81-P83 VanDerWaalsContact C-N 3.27Å; P83-E85 PolarHBondContact O-N 3.45Å; P83-E85 VanDerWaalsContact O-N 3.12Å; P83-Y87 HydrophobicContact CB-CE1 4.25Å; P83-Y87 WeakPolarHBondContact O-CD1 3.48Å; P83-Y87 WeakPolarHBondContact O-CE1 3.39Å; P83-P218 HydrophobicContact CG-CB 3.94Å; P83-P249 HydrophobicContact CB-CB 4.11Å; P83-P249 HydrophobicContact CG-CB 3.9Å; P83-P249 HydrophobicContact CG-CG 4.19Å |
| 84 | Y | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -69.2 | -5.2 | -178.9 | -66.7 | -51.7 | 0 | 0 | 0 | 114.8 | H81 Q82 H86 Y87 P88 L151 G152 V176 S178 | H81-Y84 HydrophobicContact CB-CD2 4.24Å; H81-Y84 AromaticContact CD2-CD2 3.76Å; H81-Y84 AromaticContact CD2-CE2 3.55Å; H81-Y84 WeakPolarHBondContact O-CB 3.37Å; H81-Y84 PolarHBondContact O-N 3.31Å; H81-Y84 VanDerWaalsContact O-N 3.13Å; Q82-Y84 PolarHBondContact O-N 3.06Å; Y84-H86 VanDerWaalsContact C-N 3.28Å; Y84-H86 PolarHBondContact O-N 2.98Å; Y84-Y87 HydrophobicContact CD1-CD1 4.41Å; Y84-Y87 AromaticContact CD1-CD2 3.41Å; Y84-Y87 HydrophobicContact CD1-CD2 3.41Å; Y84-Y87 VanDerWaalsContact CD1-CD2 3.41Å; Y84-Y87 AromaticContact CD1-CE2 3.61Å; Y84-Y87 HydrophobicContact CD1-CE2 3.61Å; Y84-Y87 AromaticContact CD1-CG 3.82Å; Y84-Y87 HydrophobicContact CD1-CG 3.82Å; Y84-Y87 AromaticContact CE1-CD2 3.7Å; Y84-Y87 HydrophobicContact CE1-CD2 3.7Å; Y84-Y87 AromaticContact CE1-CE2 3.57Å; Y84-Y87 HydrophobicContact CE1-CE2 3.57Å; Y84-Y87 PolarHBondContact O-N 3.47Å; Y84-P88 VanDerWaalsContact O-CD 3.25Å; Y84-P88 WeakPolarHBondContact O-CD 3.43Å; Y84-L151 HydrophobicContact CD1-CB 3.71Å; Y84-L151 HydrophobicContact CD1-CD1 4.16Å; Y84-L151 HydrophobicContact CD1-CG 4.45Å; Y84-L151 HydrophobicContact CD2-CB 4.39Å; Y84-L151 HydrophobicContact CE1-CB 3.64Å; Y84-L151 HydrophobicContact CE2-CB 4.34Å; Y84-L151 HydrophobicContact CG-CB 4.09Å; Y84-G152 WeakPolarHBondContact OH-CA 3.39Å; Y84-G152 PolarHBondContact OH-N 3.19Å; Y84-V176 WeakPolarHBondContact CE1-O 3.48Å; Y84-V176 PolarHBondContact OH-O 2.96Å; Y84-S178 PolarHBondContact OH-N 3.35Å |
| 85 | E | 97.6 | Very high | 97.3 | Very high | 85 Ų | 85 | 48.1 Ų | 48.1 | 40% | 0.397 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -50.2 | -47.9 | 177.7 | -168.5 | 174.1 | 167.6 | 0 | 0 | 112.4 | Y74 Q82 P83 | Y74-E85 HydrophobicContact CD2-CB 3.99Å; Y74-E85 HydrophobicContact CE2-CB 3.47Å; Y74-E85 VanDerWaalsContact CE2-CB 3.47Å; Y74-E85 HydrophobicContact CE2-CG 3.95Å; Q82-E85 PolarHBondContact NE2-OE2 2.88Å; Q82-E85 PolarHBondContact O-N 2.93Å; Q82-E85 VanDerWaalsContact O-N 3.13Å; P83-E85 PolarHBondContact O-N 3.45Å; P83-E85 VanDerWaalsContact O-N 3.12Å |
| 86 | H | 96.9 | Very high | 97.2 | Very high | 98 Ų | 98 | 50 Ų | 50 | 45% | 0.454 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -99 | -8.4 | -172.4 | -53.3 | -56.1 | 0 | 0 | 0 | 113.6 | Y84 E89 I90 | Y84-H86 VanDerWaalsContact C-N 3.28Å; Y84-H86 PolarHBondContact O-N 2.98Å; H86-E89 WeakPolarHBondContact O-CB 3.48Å; H86-E89 PolarHBondContact O-N 3.21Å; H86-I90 PolarHBondContact O-N 3.2Å |
| 87 | Y | 98.2 | Very high | 97.3 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.1 | -40.6 | -176.1 | -80.3 | 38.8 | 0 | 0 | 0 | 112.8 | P83 Y84 E89 I90 I91 V176 R254 T258 | P83-Y87 HydrophobicContact CB-CE1 4.25Å; P83-Y87 WeakPolarHBondContact O-CD1 3.48Å; P83-Y87 WeakPolarHBondContact O-CE1 3.39Å; Y84-Y87 HydrophobicContact CD1-CD1 4.41Å; Y84-Y87 AromaticContact CD1-CD2 3.41Å; Y84-Y87 HydrophobicContact CD1-CD2 3.41Å; Y84-Y87 VanDerWaalsContact CD1-CD2 3.41Å; Y84-Y87 AromaticContact CD1-CE2 3.61Å; Y84-Y87 HydrophobicContact CD1-CE2 3.61Å; Y84-Y87 AromaticContact CD1-CG 3.82Å; Y84-Y87 HydrophobicContact CD1-CG 3.82Å; Y84-Y87 AromaticContact CE1-CD2 3.7Å; Y84-Y87 HydrophobicContact CE1-CD2 3.7Å; Y84-Y87 AromaticContact CE1-CE2 3.57Å; Y84-Y87 HydrophobicContact CE1-CE2 3.57Å; Y84-Y87 PolarHBondContact O-N 3.47Å; Y87-E89 PolarHBondContact O-N 3.44Å; Y87-E89 VanDerWaalsContact O-N 3.13Å; Y87-I90 PolarHBondContact O-N 3.38Å; Y87-I91 WeakPolarHBondContact O-CB 3.07Å; Y87-I91 WeakPolarHBondContact O-CD1 3.47Å; Y87-I91 WeakPolarHBondContact O-CG1 3.49Å; Y87-I91 PolarHBondContact O-N 3.21Å; Y87-V176 HydrophobicContact CD2-CG1 4.25Å; Y87-V176 HydrophobicContact CE2-CG1 4.21Å; Y87-R254 VanDerWaalsContact OH-CD 3.24Å; Y87-R254 WeakPolarHBondContact OH-CD 3.44Å; Y87-R254 VanDerWaalsContact OH-CG 3.26Å; Y87-R254 WeakPolarHBondContact OH-CG 3.47Å; Y87-T258 HydrophobicContact CD2-CG2 3.76Å; Y87-T258 HydrophobicContact CE2-CG2 4.3Å; Y87-T258 HydrophobicContact CG-CG2 4.14Å |
| 88 | P | 98.3 | Very high | 97.2 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 10% | 0.104 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.7 | -26 | 175.9 | -27.5 | 36 | 0 | 0 | 0 | 114.6 | I70 Y84 R92 V104 | I70-P88 HydrophobicContact CD1-CB 4.28Å; Y84-P88 VanDerWaalsContact O-CD 3.25Å; Y84-P88 WeakPolarHBondContact O-CD 3.43Å; P88-R92 WeakPolarHBondContact O-CB 3.48Å; P88-R92 VanDerWaalsContact O-CG 3.24Å; P88-R92 WeakPolarHBondContact O-CG 3.31Å; P88-R92 PolarHBondContact O-N 2.92Å; P88-R92 VanDerWaalsContact O-N 3.1Å; P88-R92 PolarHBondContact O-NE 3.03Å; P88-R92 VanDerWaalsContact O-NE 3.11Å; P88-V104 HydrophobicContact CB-CG2 4.03Å; P88-V104 HydrophobicContact CG-CG2 4.15Å |
| 89 | E | 97.7 | Very high | 97.1 | Very high | 123 Ų | 123 | 49.8 Ų | 49.8 | 58% | 0.575 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -76.4 | -48.4 | 176.2 | -61.8 | -176.5 | 167.9 | 0 | 0 | 111.3 | H86 Y87 I91 R92 K93 | H86-E89 WeakPolarHBondContact O-CB 3.48Å; H86-E89 PolarHBondContact O-N 3.21Å; Y87-E89 PolarHBondContact O-N 3.44Å; Y87-E89 VanDerWaalsContact O-N 3.13Å; E89-I91 VanDerWaalsContact C-N 3.28Å; E89-I91 PolarHBondContact O-N 2.69Å; E89-R92 PolarHBondContact O-N 3.1Å; E89-K93 WeakPolarHBondContact O-CB 3.39Å; E89-K93 PolarHBondContact O-N 3.22Å |
| 90 | I | 98.3 | Very high | 97.1 | Very high | 39 Ų | 39 | 47.9 Ų | 47.9 | 20% | 0.2 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.6 | -46.1 | 174.8 | -60 | 171.9 | 0 | 0 | 0 | 110.3 | H86 Y87 K93 A94 D255 T258 A259 | H86-I90 PolarHBondContact O-N 3.2Å; Y87-I90 PolarHBondContact O-N 3.38Å; I90-K93 PolarHBondContact O-N 3.18Å; I90-A94 WeakPolarHBondContact O-CB 3.5Å; I90-A94 PolarHBondContact O-N 3.29Å; I90-D255 HydrophobicContact CD1-CB 4.33Å; I90-D255 WeakPolarHBondContact CD1-OD1 3.33Å; I90-T258 HydrophobicContact CB-CG2 4.42Å; I90-T258 HydrophobicContact CG2-CG2 4.07Å; I90-A259 HydrophobicContact CG2-CB 4.15Å |
| 91 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.6 | -50.3 | 179.4 | -70.3 | 165.8 | 0 | 0 | 0 | 110.8 | I70 Y87 E89 K93 A94 L95 L149 L151 T258 A262 | I70-I91 HydrophobicContact CD1-CB 4.13Å; I70-I91 HydrophobicContact CD1-CD1 4.48Å; I70-I91 HydrophobicContact CD1-CG2 3.58Å; I70-I91 HydrophobicContact CG1-CG2 4Å; I70-I91 HydrophobicContact CG2-CD1 4.34Å; Y87-I91 WeakPolarHBondContact O-CB 3.07Å; Y87-I91 WeakPolarHBondContact O-CD1 3.47Å; Y87-I91 WeakPolarHBondContact O-CG1 3.49Å; Y87-I91 PolarHBondContact O-N 3.21Å; E89-I91 VanDerWaalsContact C-N 3.28Å; E89-I91 PolarHBondContact O-N 2.69Å; I91-K93 VanDerWaalsContact C-N 3.32Å; I91-K93 PolarHBondContact O-N 2.9Å; I91-A94 PolarHBondContact O-N 3.4Å; I91-L95 HydrophobicContact CG2-CD1 3.67Å; I91-L95 HydrophobicContact CG2-CG 4.26Å; I91-L95 VanDerWaalsContact O-CG 3.28Å; I91-L95 WeakPolarHBondContact O-CG 3.23Å; I91-L95 PolarHBondContact O-N 3.03Å; I91-L149 HydrophobicContact CB-CD1 4.43Å; I91-L149 HydrophobicContact CD1-CD1 4.08Å; I91-L149 HydrophobicContact CG1-CD1 4.18Å; I91-L149 HydrophobicContact CG2-CD1 3.4Å; I91-L151 HydrophobicContact CD1-CD1 4.06Å; I91-L151 HydrophobicContact CD1-CD2 3.88Å; I91-T258 HydrophobicContact CD1-CG2 4.29Å; I91-T258 HydrophobicContact CG1-CG2 3.82Å; I91-A262 HydrophobicContact CB-CB 4.39Å; I91-A262 HydrophobicContact CG1-CB 4.44Å; I91-A262 HydrophobicContact CG2-CB 3.94Å |
| 92 | R | 98.2 | Very high | 97.2 | Very high | 102 Ų | 102 | 47.6 Ų | 47.6 | 39% | 0.385 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.5 | -44.1 | -179.8 | -81.2 | -177.3 | -69 | 172.3 | -0 | 111.7 | P88 E89 A94 L95 H96 G102 | P88-R92 WeakPolarHBondContact O-CB 3.48Å; P88-R92 VanDerWaalsContact O-CG 3.24Å; P88-R92 WeakPolarHBondContact O-CG 3.31Å; P88-R92 PolarHBondContact O-N 2.92Å; P88-R92 VanDerWaalsContact O-N 3.1Å; P88-R92 PolarHBondContact O-NE 3.03Å; P88-R92 VanDerWaalsContact O-NE 3.11Å; E89-R92 PolarHBondContact O-N 3.1Å; R92-A94 PolarHBondContact O-N 3.03Å; R92-L95 PolarHBondContact O-N 3.34Å; R92-H96 VanDerWaalsContact O-CG 3.26Å; R92-H96 PolarHBondContact O-N 2.95Å; R92-H96 PolarHBondContact O-ND1 3.23Å; R92-G102 WeakPolarHBondContact CD-O 3.45Å; R92-G102 WeakPolarHBondContact CG-O 3.42Å |
| 93 | K | 98 | Very high | 97.2 | Very high | 136 Ų | 136 | 46.9 Ų | 46.9 | 59% | 0.591 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -57 | -49.6 | 175.5 | -176.8 | -175.8 | 173.5 | -172.2 | 0 | 111.5 | E89 I90 I91 L95 H96 E97 | E89-K93 WeakPolarHBondContact O-CB 3.39Å; E89-K93 PolarHBondContact O-N 3.22Å; I90-K93 PolarHBondContact O-N 3.18Å; I91-K93 VanDerWaalsContact C-N 3.32Å; I91-K93 PolarHBondContact O-N 2.9Å; K93-L95 VanDerWaalsContact C-N 3.32Å; K93-L95 PolarHBondContact O-N 2.73Å; K93-H96 PolarHBondContact O-N 3.35Å; K93-E97 WeakPolarHBondContact CE-OE1 3.43Å; K93-E97 WeakPolarHBondContact O-CG 3.44Å; K93-E97 PolarHBondContact O-N 3.06Å; K93-E97 VanDerWaalsContact O-N 3.07Å |
| 94 | A | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -33.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I90 I91 R92 A98 A259 A262 R263 | I90-A94 WeakPolarHBondContact O-CB 3.5Å; I90-A94 PolarHBondContact O-N 3.29Å; I91-A94 PolarHBondContact O-N 3.4Å; R92-A94 PolarHBondContact O-N 3.03Å; A94-A98 PolarHBondContact O-N 3.43Å; A94-A259 HydrophobicContact CB-CB 3.7Å; A94-A259 WeakPolarHBondContact CB-O 3.39Å; A94-A262 HydrophobicContact CB-CB 4.03Å; A94-R263 HydrophobicContact CB-CG 4.44Å |
| 95 | L | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.2 | -42.6 | 174.2 | -70.7 | 170 | 0 | 0 | 0 | 111.4 | I68 I91 R92 K93 E97 A98 N99 A100 A262 T266 | I68-L95 HydrophobicContact CB-CD1 3.88Å; I68-L95 HydrophobicContact CB-CD2 4.15Å; I68-L95 HydrophobicContact CG1-CD1 4.28Å; I68-L95 HydrophobicContact CG1-CD2 3.66Å; I68-L95 HydrophobicContact CG2-CD1 4.36Å; I91-L95 HydrophobicContact CG2-CD1 3.67Å; I91-L95 HydrophobicContact CG2-CG 4.26Å; I91-L95 VanDerWaalsContact O-CG 3.28Å; I91-L95 WeakPolarHBondContact O-CG 3.23Å; I91-L95 PolarHBondContact O-N 3.03Å; R92-L95 PolarHBondContact O-N 3.34Å; K93-L95 VanDerWaalsContact C-N 3.32Å; K93-L95 PolarHBondContact O-N 2.73Å; L95-E97 VanDerWaalsContact C-N 3.32Å; L95-E97 PolarHBondContact O-N 3.29Å; L95-A98 CarbonylContact O-C 3.37Å; L95-A98 WeakPolarHBondContact O-CA 3.31Å; L95-A98 PolarHBondContact O-N 2.84Å; L95-N99 PolarHBondContact O-N 2.87Å; L95-A100 CarbonylContact C-O 3.6Å; L95-A100 HydrophobicContact CB-CB 4.16Å; L95-A100 HydrophobicContact CD2-CB 4.03Å; L95-A100 WeakPolarHBondContact O-CA 3.4Å; L95-A100 PolarHBondContact O-N 3.02Å; L95-A100 VanDerWaalsContact O-O 3.1Å; L95-A262 HydrophobicContact CD2-CB 4.18Å; L95-A262 VanDerWaalsContact CD2-O 3.24Å; L95-A262 WeakPolarHBondContact CD2-O 3.12Å; L95-A262 HydrophobicContact CG-CB 4.09Å; L95-T266 HydrophobicContact CD2-CG2 3.49Å; L95-T266 VanDerWaalsContact CD2-CG2 3.49Å |
| 96 | H | 97 | Very high | 97.2 | Very high | 82 Ų | 82 | 47.1 Ų | 47.1 | 38% | 0.38 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 175.7 | -67.7 | 161 | 0 | 0 | 0 | 111.7 | D56 R92 K93 A98 N99 A100 | D56-H96 IonicContact OD1-CD2 2.75Å; D56-H96 IonicContact OD1-CE1 3.15Å; D56-H96 IonicContact OD1-NE2 2.71Å; D56-H96 PolarHBondContact OD1-NE2 3.37Å; D56-H96 IonicContact OD2-CE1 3.26Å; D56-H96 IonicContact OD2-NE2 2.73Å; D56-H96 PolarHBondContact OD2-NE2 2.82Å; R92-H96 VanDerWaalsContact O-CG 3.26Å; R92-H96 PolarHBondContact O-N 2.95Å; R92-H96 PolarHBondContact O-ND1 3.23Å; K93-H96 PolarHBondContact O-N 3.35Å; H96-A98 PolarHBondContact O-N 3.39Å; H96-N99 PolarHBondContact O-N 2.88Å; H96-A100 PolarHBondContact CD2-O 3.19Å; H96-A100 PolarHBondContact N-O 2.89Å |
| 97 | E | 96.2 | Very high | 97.3 | Very high | 111 Ų | 111 | 45 Ų | 45 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.1 | -30.1 | 173.2 | -69.2 | 166.2 | -175.7 | 0 | 0 | 112.6 | K93 L95 R263 | K93-E97 WeakPolarHBondContact CE-OE1 3.43Å; K93-E97 WeakPolarHBondContact O-CG 3.44Å; K93-E97 PolarHBondContact O-N 3.06Å; K93-E97 VanDerWaalsContact O-N 3.07Å; L95-E97 VanDerWaalsContact C-N 3.32Å; L95-E97 PolarHBondContact O-N 3.29Å; E97-R263 IonicContact OE2-NH1 2.89Å; E97-R263 PolarHBondContact OE2-NH1 3.26Å |
| 98 | A | 93.9 | Very high | 97.3 | Very high | 36 Ų | 36 | 45.1 Ų | 45.1 | 30% | 0.298 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 16 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A94 L95 H96 A100 R263 | A94-A98 PolarHBondContact O-N 3.43Å; L95-A98 CarbonylContact O-C 3.37Å; L95-A98 WeakPolarHBondContact O-CA 3.31Å; L95-A98 PolarHBondContact O-N 2.84Å; H96-A98 PolarHBondContact O-N 3.39Å; A98-A100 VanDerWaalsContact C-N 3.25Å; A98-A100 PolarHBondContact O-N 3.17Å; A98-R263 HydrophobicContact CB-CG 4.13Å |
| 99 | N | 93.5 | Very high | 97.3 | Very high | 96 Ų | 96 | 47.1 Ų | 47.1 | 51% | 0.513 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 34.6 | -176.4 | -63.6 | -69.7 | 0 | 0 | 0 | 114.2 | R65 L95 H96 | R65-N99 WeakPolarHBondContact CB-O 3.47Å; R65-N99 VanDerWaalsContact CD-O 3.25Å; R65-N99 WeakPolarHBondContact CD-O 3.28Å; R65-N99 VanDerWaalsContact CG-O 3.29Å; R65-N99 WeakPolarHBondContact CG-O 3.49Å; R65-N99 PolarHBondContact NH2-OD1 2.8Å; L95-N99 PolarHBondContact O-N 2.87Å; H96-N99 PolarHBondContact O-N 2.88Å |
| 100 | A | 95.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | trans | -120.6 | 164.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | N66 L95 H96 A98 T266 | N66-A100 HydrophobicContact CB-CB 4.11Å; L95-A100 CarbonylContact C-O 3.6Å; L95-A100 HydrophobicContact CB-CB 4.16Å; L95-A100 HydrophobicContact CD2-CB 4.03Å; L95-A100 WeakPolarHBondContact O-CA 3.4Å; L95-A100 PolarHBondContact O-N 3.02Å; L95-A100 VanDerWaalsContact O-O 3.1Å; H96-A100 PolarHBondContact CD2-O 3.19Å; H96-A100 PolarHBondContact N-O 2.89Å; A98-A100 VanDerWaalsContact C-N 3.25Å; A98-A100 PolarHBondContact O-N 3.17Å; A100-T266 HydrophobicContact CB-CG2 3.59Å | ||
| 101 | V | 96.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 144.8 | 174.8 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | D56 L60 N66 N67 I68 Q103 | D56-V101 HydrophobicContact CB-CG1 4.06Å; D56-V101 HydrophobicContact CB-CG2 4.3Å; L60-V101 HydrophobicContact CD1-CG1 4.15Å; L60-V101 HydrophobicContact CD2-CB 4.08Å; L60-V101 HydrophobicContact CD2-CG1 4.33Å; L60-V101 HydrophobicContact CD2-CG2 4.22Å; L60-V101 HydrophobicContact CG-CB 4.4Å; L60-V101 HydrophobicContact CG-CG1 4.31Å; L60-V101 HydrophobicContact CG-CG2 4.22Å; N66-V101 PolarHBondContact O-N 2.89Å; N67-V101 CarbonylContact C-O 3.6Å; N67-V101 WeakPolarHBondContact CA-O 3.22Å; N67-V101 PolarHBondContact OD1-O 3.22Å; I68-V101 PolarHBondContact N-O 3.31Å; V101-Q103 HydrophobicContact CG1-CG 4.38Å |
| 102 | G | 97.2 | Very high | 96.7 | Very high | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 135.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I68 R92 | I68-G102 WeakPolarHBondContact O-CA 3.29Å; R92-G102 WeakPolarHBondContact CD-O 3.45Å; R92-G102 WeakPolarHBondContact CG-O 3.42Å |
| 103 | Q | 97.6 | Very high | 96.3 | Very high | 33 Ų | 33 | 38.6 Ų | 38.6 | 15% | 0.154 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.4 | 174.4 | -59 | -178.2 | -98.7 | 0 | 0 | 109.8 | G48 C52 N67 I68 A69 I70 V101 A105 F145 | G48-Q103 PolarHBondContact O-NE2 3.31Å; C52-Q103 PolarHBondContact SG-NE2 3.01Å; C52-Q103 VanDerWaalsContact SG-NE2 3.38Å; N67-Q103 PolarHBondContact ND2-OE1 3.25Å; N67-Q103 PolarHBondContact OD1-OE1 3.5Å; I68-Q103 PolarHBondContact O-N 2.84Å; A69-Q103 CarbonylContact C-O 3.54Å; I70-Q103 PolarHBondContact N-O 2.95Å; V101-Q103 HydrophobicContact CG1-CG 4.38Å; Q103-A105 PolarHBondContact O-N 2.8Å; Q103-A105 VanDerWaalsContact O-N 3.08Å; Q103-F145 HydrophobicContact CB-CE1 4.21Å |
| 104 | V | 98.2 | Very high | 95.8 | Very high | 78 Ų | 78 | 34.7 Ų | 34.7 | 47% | 0.473 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 110.7 | 165.8 | 179 | 0 | 0 | 0 | 0 | 107.5 | I70 T72 P88 | I70-V104 HydrophobicContact CB-CG2 4.31Å; I70-V104 WeakPolarHBondContact O-CA 3.49Å; T72-V104 HydrophobicContact CG2-CG1 4.13Å; P88-V104 HydrophobicContact CB-CG2 4.03Å; P88-V104 HydrophobicContact CG-CG2 4.15Å |
| 105 | A | 97.9 | Very high | 95.5 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -28.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A69 I70 I71 Q103 G139 F145 | A69-A105 HydrophobicContact CB-CB 3.68Å; I70-A105 PolarHBondContact O-N 3.15Å; I71-A105 HydrophobicContact CD1-CB 3.77Å; Q103-A105 PolarHBondContact O-N 2.8Å; Q103-A105 VanDerWaalsContact O-N 3.08Å; A105-G139 VanDerWaalsContact O-CA 3.23Å; A105-G139 WeakPolarHBondContact O-CA 3.46Å; A105-F145 HydrophobicContact CB-CD2 4.29Å; A105-F145 HydrophobicContact CB-CE1 4.13Å; A105-F145 HydrophobicContact CB-CE2 3.44Å; A105-F145 VanDerWaalsContact CB-CE2 3.44Å; A105-F145 HydrophobicContact CB-CZ 3.35Å |
| 106 | G | 97.6 | Very high | 95.3 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.9 | 153.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T72 | T72-G106 PolarHBondContact N-O 2.79Å |
| 107 | G | 98.3 | Very high | 94.9 | Very high | 54 Ų | 54 | 37.7 Ų | 37.7 | 56% | 0.557 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 138.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | T72 | T72-G107 CarbonylContact O-C 3.51Å; T72-G107 VanDerWaalsContact O-CA 3.32Å; T72-G107 WeakPolarHBondContact O-CA 3.39Å |
| 108 | V | 98.7 | Very high | 94.6 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | trans | -107.6 | 150.2 | 168.5 | -60 | 0 | 0 | 0 | 0 | 109.6 | I71 T72 S73 A110 I132 A136 L161 | I71-V108 HydrophobicContact CG2-CG1 3.73Å; T72-V108 PolarHBondContact O-N 3.03Å; S73-V108 VanDerWaalsContact CB-CG2 3.47Å; V108-A110 PolarHBondContact O-N 3.34Å; V108-I132 HydrophobicContact CB-CG1 4.42Å; V108-I132 HydrophobicContact CB-CG2 4.09Å; V108-I132 HydrophobicContact CG1-CG2 4.33Å; V108-I132 HydrophobicContact CG2-CG2 4.09Å; V108-A136 HydrophobicContact CG1-CB 3.83Å; V108-L161 HydrophobicContact CG1-CD2 4.01Å; V108-L161 HydrophobicContact CG2-CD2 3.91Å | ||
| 109 | P | 97.5 | Very high | 94.5 | Very high | 57 Ų | 57 | 36.4 Ų | 36.4 | 37% | 0.37 | 23% | 0.233 | S | C | . | . | trans | -63.6 | 139.5 | 175.7 | 26.7 | -33.1 | 0 | 0 | 0 | 110.2 | V131 I132 | P109-V131 HydrophobicContact CG-CG1 3.87Å; P109-I132 HydrophobicContact CG-CG1 3.88Å; P109-I132 VanDerWaalsContact O-CD1 3.31Å; P109-I132 WeakPolarHBondContact O-CD1 3.23Å; P109-I132 VanDerWaalsContact O-CG1 3.3Å; P109-I132 WeakPolarHBondContact O-CG1 3.45Å | ||
| 110 | A | 96.2 | Very high | 94.5 | Very high | 15 Ų | 15 | 35.1 Ų | 35.1 | 12% | 0.124 | 23% | 0.226 | C | C | . | . | trans | -109.7 | 114.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | S73 N75 L78 V108 I157 | S73-A110 VanDerWaalsContact O-CB 3.26Å; S73-A110 WeakPolarHBondContact O-CB 3.32Å; N75-A110 HydrophobicContact CB-CB 3.86Å; L78-A110 HydrophobicContact CD1-CB 3.76Å; L78-A110 WeakPolarHBondContact CD1-O 3.21Å; V108-A110 PolarHBondContact O-N 3.34Å; A110-I157 HydrophobicContact CB-CD1 3.77Å | ||
| 111 | M | 93.5 | Very high | 94.6 | Very high | 34 Ų | 34 | 35.5 Ų | 35.5 | 17% | 0.167 | 23% | 0.231 | C | C | . | . | trans | -105.4 | 137.2 | 172.6 | -172.9 | 164.8 | -153.2 | 0 | 0 | 109.3 | T116 G121 L124 S125 | M111-T116 HydrophobicContact CE-CG2 3.63Å; M111-G121 WeakPolarHBondContact CE-O 3.24Å; M111-L124 HydrophobicContact CE-CB 4.24Å; M111-S125 VanDerWaalsContact SD-CA 3.52Å | ||
| 112 | C | 92.9 | Very high | 94.5 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | trans | -114.6 | 117.6 | 173.6 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | L78 G114 V115 T116 | L78-C112 HydrophobicContact CD1-CB 3.85Å; L78-C112 HydrophobicContact CD2-CB 3.41Å; L78-C112 VanDerWaalsContact CD2-CB 3.41Å; L78-C112 HydrophobicContact CG-CB 4.16Å; C112-G114 PolarHBondContact O-N 2.84Å; C112-G114 PolarHBondContact SG-N 3.17Å; C112-G114 VanDerWaalsContact SG-N 3.43Å; C112-V115 HydrophobicContact CB-CB 4.44Å; C112-V115 HydrophobicContact CB-CG2 3.97Å; C112-V115 WeakPolarHBondContact O-CB 3.47Å; C112-V115 PolarHBondContact O-N 3.22Å; C112-T116 PolarHBondContact O-N 2.99Å | ||
| 113 | D | 90 | Very high | 94.5 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 5% | 0.053 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.6 | -33.4 | 176.1 | -66 | -29.1 | 0 | 0 | 0 | 111.3 | V115 T116 Q117 M122 S125 D155 K156 | D113-V115 PolarHBondContact O-N 3.49Å; D113-V115 VanDerWaalsContact O-N 3.14Å; D113-T116 PolarHBondContact O-N 2.98Å; D113-T116 VanDerWaalsContact O-N 3.08Å; D113-Q117 WeakPolarHBondContact O-CB 3.35Å; D113-Q117 WeakPolarHBondContact O-CG 3.02Å; D113-Q117 PolarHBondContact O-N 2.96Å; D113-M122 HydrophobicContact CB-CE 3.81Å; D113-M122 HydrophobicContact CB-SD 4.23Å; D113-M122 VanDerWaalsContact CG-CE 3.44Å; D113-M122 VanDerWaalsContact OD1-CE 3.23Å; D113-M122 WeakPolarHBondContact OD1-CE 3.44Å; D113-S125 VanDerWaalsContact OD1-CB 3.29Å; D113-S125 WeakPolarHBondContact OD1-CB 3.06Å; D113-S125 PolarHBondContact OD1-OG 2.98Å; D113-D155 WeakPolarHBondContact OD2-CB 3.42Å; D113-K156 IonicContact OD1-NZ 3.02Å; D113-K156 IonicContact OD2-NZ 3.09Å; D113-K156 PolarHBondContact OD2-NZ 2.77Å |
| 114 | G | 88.6 | Confident | 94.5 | Very high | 53 Ų | 53 | 35.6 Ų | 35.6 | 55% | 0.546 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.1 | -23.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | C112 | C112-G114 PolarHBondContact O-N 2.84Å; C112-G114 PolarHBondContact SG-N 3.17Å; C112-G114 VanDerWaalsContact SG-N 3.43Å |
| 115 | V | 91.7 | Very high | 94.4 | Very high | 85 Ų | 85 | 31.9 Ų | 31.9 | 52% | 0.515 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -86.8 | -32.6 | 175.5 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | L78 C112 D113 | L78-V115 HydrophobicContact CD2-CG2 3.85Å; C112-V115 HydrophobicContact CB-CB 4.44Å; C112-V115 HydrophobicContact CB-CG2 3.97Å; C112-V115 WeakPolarHBondContact O-CB 3.47Å; C112-V115 PolarHBondContact O-N 3.22Å; D113-V115 PolarHBondContact O-N 3.49Å; D113-V115 VanDerWaalsContact O-N 3.14Å |
| 116 | T | 93 | Very high | 94.4 | Very high | 21 Ų | 21 | 31.3 Ų | 31.3 | 13% | 0.129 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -103.1 | -7.5 | -172.3 | 57.3 | 0 | 0 | 0 | 0 | 114.9 | M111 C112 D113 G118 Q119 M122 | M111-T116 HydrophobicContact CE-CG2 3.63Å; C112-T116 PolarHBondContact O-N 2.99Å; D113-T116 PolarHBondContact O-N 2.98Å; D113-T116 VanDerWaalsContact O-N 3.08Å; T116-G118 PolarHBondContact O-N 3.2Å; T116-Q119 WeakPolarHBondContact O-CB 3.43Å; T116-Q119 PolarHBondContact O-N 2.84Å; T116-M122 PolarHBondContact OG1-SD 3.37Å; T116-M122 VanDerWaalsContact OG1-SD 3.37Å |
| 117 | Q | 89.2 | Confident | 94.4 | Very high | 41 Ų | 41 | 30.5 Ų | 30.5 | 19% | 0.192 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 125 | -177.4 | -93.9 | 170.9 | 17.5 | 0 | 0 | 112.3 | D113 Q119 M122 H488 | D113-Q117 WeakPolarHBondContact O-CB 3.35Å; D113-Q117 WeakPolarHBondContact O-CG 3.02Å; D113-Q117 PolarHBondContact O-N 2.96Å; Q117-Q119 PolarHBondContact O-N 3.15Å; Q117-M122 HydrophobicContact CG-SD 4.29Å; Q117-H488 HydrophobicContact CB-CB 4.05Å; Q117-H488 HydrophobicContact CG-CB 3.91Å |
| 118 | G | 88.7 | Confident | 94.4 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 9.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T116 K489 | T116-G118 PolarHBondContact O-N 3.2Å; G118-K489 WeakPolarHBondContact O-CE 3.47Å; G118-K489 PolarHBondContact O-NZ 2.82Å |
| 119 | Q | 93.3 | Very high | 94.4 | Very high | 118 Ų | 118 | 28 Ų | 28 | 55% | 0.551 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -115 | 161.1 | 174.6 | -50.1 | -59.6 | -36.2 | 0 | 0 | 110.6 | T116 Q117 G121 M122 | T116-Q119 WeakPolarHBondContact O-CB 3.43Å; T116-Q119 PolarHBondContact O-N 2.84Å; Q117-Q119 PolarHBondContact O-N 3.15Å; Q119-G121 PolarHBondContact O-N 2.73Å; Q119-G121 VanDerWaalsContact O-N 3.12Å; Q119-M122 VanDerWaalsContact O-CB 3.26Å; Q119-M122 WeakPolarHBondContact O-CB 3.28Å; Q119-M122 PolarHBondContact O-N 2.73Å |
| 120 | D | 93.8 | Very high | 94.4 | Very high | 69 Ų | 69 | 25.3 Ų | 25.3 | 37% | 0.369 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -53.4 | -34 | 178.7 | -71.3 | 17.7 | 0 | 0 | 0 | 113.5 | M122 E123 R581 | D120-M122 PolarHBondContact O-N 3.03Å; D120-M122 VanDerWaalsContact O-N 3.09Å; D120-E123 WeakPolarHBondContact O-CB 3.42Å; D120-E123 PolarHBondContact O-N 2.95Å; D120-E123 VanDerWaalsContact O-N 3.09Å; D120-R581 IonicContact OD2-CZ 2.74Å; D120-R581 IonicContact OD2-NH1 3.29Å; D120-R581 PolarHBondContact OD2-NH1 2.88Å; D120-R581 IonicContact OD2-NH2 2.74Å; D120-R581 PolarHBondContact OD2-NH2 3.04Å |
| 121 | G | 95.8 | Very high | 94.5 | Very high | 10 Ų | 10 | 26.4 Ų | 26.4 | 10% | 0.103 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -57.6 | -24.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | M111 Q119 E123 L124 | M111-G121 WeakPolarHBondContact CE-O 3.24Å; Q119-G121 PolarHBondContact O-N 2.73Å; Q119-G121 VanDerWaalsContact O-N 3.12Å; G121-E123 PolarHBondContact O-N 2.94Å; G121-L124 PolarHBondContact O-N 2.81Å |
| 122 | M | 96 | Very high | 94.8 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -62.2 | -25.4 | 178.2 | -161.3 | 67.8 | -157.5 | 0 | 0 | 112.8 | D113 T116 Q117 Q119 D120 L124 S125 P485 E486 | D113-M122 HydrophobicContact CB-CE 3.81Å; D113-M122 HydrophobicContact CB-SD 4.23Å; D113-M122 VanDerWaalsContact CG-CE 3.44Å; D113-M122 VanDerWaalsContact OD1-CE 3.23Å; D113-M122 WeakPolarHBondContact OD1-CE 3.44Å; T116-M122 PolarHBondContact OG1-SD 3.37Å; T116-M122 VanDerWaalsContact OG1-SD 3.37Å; Q117-M122 HydrophobicContact CG-SD 4.29Å; Q119-M122 VanDerWaalsContact O-CB 3.26Å; Q119-M122 WeakPolarHBondContact O-CB 3.28Å; Q119-M122 PolarHBondContact O-N 2.73Å; D120-M122 PolarHBondContact O-N 3.03Å; D120-M122 VanDerWaalsContact O-N 3.09Å; M122-L124 PolarHBondContact O-N 2.89Å; M122-S125 WeakPolarHBondContact O-CB 3.36Å; M122-S125 PolarHBondContact O-N 3.41Å; M122-P485 HydrophobicContact CB-CB 3.99Å; M122-P485 HydrophobicContact CG-CB 3.78Å; M122-E486 HydrophobicContact CE-CB 3.48Å; M122-E486 VanDerWaalsContact CE-CB 3.48Å; M122-E486 HydrophobicContact CE-CG 3.45Å; M122-E486 VanDerWaalsContact CE-CG 3.45Å |
| 123 | E | 96.5 | Very high | 95.1 | Very high | 19 Ų | 19 | 23.8 Ų | 23.8 | 9% | 0.089 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -65.9 | -14.7 | 174.9 | -66.8 | -173.9 | 169.3 | 0 | 0 | 112.7 | D120 G121 N482 P485 S575 R581 | D120-E123 WeakPolarHBondContact O-CB 3.42Å; D120-E123 PolarHBondContact O-N 2.95Å; D120-E123 VanDerWaalsContact O-N 3.09Å; G121-E123 PolarHBondContact O-N 2.94Å; E123-N482 WeakPolarHBondContact CA-O 3.4Å; E123-N482 WeakPolarHBondContact CB-O 3.32Å; E123-N482 HydrophobicContact CG-CB 4.28Å; E123-N482 WeakPolarHBondContact CG-O 3.4Å; E123-P485 HydrophobicContact CG-CB 4.33Å; E123-P485 HydrophobicContact CG-CG 4.26Å; E123-S575 PolarHBondContact OE1-OG 2.85Å; E123-S575 WeakPolarHBondContact OE2-CB 3.49Å; E123-R581 IonicContact OE1-NH1 2.66Å; E123-R581 WeakPolarHBondContact OE2-CD 3.44Å; E123-R581 IonicContact OE2-CZ 2.71Å; E123-R581 IonicContact OE2-NE 3.59Å; E123-R581 IonicContact OE2-NH1 3.65Å; E123-R581 PolarHBondContact OE2-NH1 3.05Å |
| 124 | L | 97.3 | Very high | 95.5 | Very high | 18 Ų | 18 | 27 Ų | 27 | 9% | 0.094 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -97.1 | -7.4 | 172.7 | -60 | -175.2 | 0 | 0 | 0 | 113.4 | M111 G121 M122 L127 S128 T579 R581 F584 | M111-L124 HydrophobicContact CE-CB 4.24Å; G121-L124 PolarHBondContact O-N 2.81Å; M122-L124 PolarHBondContact O-N 2.89Å; L124-L127 HydrophobicContact CD2-CD1 4.17Å; L124-L127 PolarHBondContact O-N 2.81Å; L124-S128 PolarHBondContact O-N 3.23Å; L124-T579 WeakPolarHBondContact CD1-O 3.38Å; L124-R581 HydrophobicContact CD2-CG 4.03Å; L124-R581 HydrophobicContact CG-CG 4.28Å; L124-F584 HydrophobicContact CD1-CD2 4.17Å; L124-F584 HydrophobicContact CD1-CE2 3.79Å; L124-F584 HydrophobicContact CD1-CZ 4.31Å; L124-F584 HydrophobicContact CD2-CB 4.1Å; L124-F584 HydrophobicContact CD2-CD1 4.18Å; L124-F584 HydrophobicContact CD2-CD2 3.48Å; L124-F584 VanDerWaalsContact CD2-CD2 3.48Å; L124-F584 HydrophobicContact CD2-CE1 4.46Å; L124-F584 HydrophobicContact CD2-CE2 3.87Å; L124-F584 HydrophobicContact CD2-CG 3.67Å; L124-F584 HydrophobicContact CD2-CZ 4.33Å; L124-F584 HydrophobicContact CG-CD2 4.45Å; L124-F584 HydrophobicContact CG-CE2 4.4Å |
| 125 | S | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58 | -55.7 | -175 | 169.4 | 0 | 0 | 0 | 0 | 112.3 | M111 D113 M122 L127 S128 K156 R511 | M111-S125 VanDerWaalsContact SD-CA 3.52Å; D113-S125 VanDerWaalsContact OD1-CB 3.29Å; D113-S125 WeakPolarHBondContact OD1-CB 3.06Å; D113-S125 PolarHBondContact OD1-OG 2.98Å; M122-S125 WeakPolarHBondContact O-CB 3.36Å; M122-S125 PolarHBondContact O-N 3.41Å; S125-L127 VanDerWaalsContact C-N 3.34Å; S125-L127 PolarHBondContact O-N 3.08Å; S125-S128 WeakPolarHBondContact O-CB 3.23Å; S125-S128 PolarHBondContact O-N 3.48Å; S125-S128 PolarHBondContact O-OG 3.27Å; S125-K156 VanDerWaalsContact O-CG 3.29Å; S125-K156 WeakPolarHBondContact O-CG 3.29Å; S125-K156 WeakPolarHBondContact OG-CE 3.2Å; S125-K156 PolarHBondContact OG-NZ 2.82Å; S125-R511 PolarHBondContact OG-NH2 2.67Å |
| 126 | L | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64 | -42.7 | -179.9 | -175.4 | 59.3 | 0 | 0 | 0 | 111.9 | S128 R129 G483 M484 A598 | L126-S128 PolarHBondContact O-N 3.24Å; L126-R129 WeakPolarHBondContact O-CB 3.41Å; L126-R129 PolarHBondContact O-N 2.92Å; L126-G483 WeakPolarHBondContact CB-O 3.24Å; L126-M484 HydrophobicContact CD2-CB 3.91Å; L126-M484 HydrophobicContact CD2-CE 3.72Å; L126-M484 HydrophobicContact CD2-SD 4.27Å; L126-A598 HydrophobicContact CD2-CB 3.69Å |
| 127 | L | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.4 | -30.5 | 177.8 | -76.7 | 159.3 | 0 | 0 | 0 | 112.6 | L124 S125 R129 E130 V131 F584 L587 R588 L591 | L124-L127 HydrophobicContact CD2-CD1 4.17Å; L124-L127 PolarHBondContact O-N 2.81Å; S125-L127 VanDerWaalsContact C-N 3.34Å; S125-L127 PolarHBondContact O-N 3.08Å; L127-R129 PolarHBondContact O-N 3.14Å; L127-E130 WeakPolarHBondContact O-CB 3.29Å; L127-E130 PolarHBondContact O-N 3.35Å; L127-V131 PolarHBondContact O-N 3.39Å; L127-F584 HydrophobicContact CB-CD1 3.81Å; L127-F584 HydrophobicContact CB-CE1 4.18Å; L127-F584 HydrophobicContact CD1-CB 3.93Å; L127-F584 HydrophobicContact CD1-CD1 4.18Å; L127-F584 HydrophobicContact CD1-CG 4.34Å; L127-F584 HydrophobicContact CD2-CD1 4.43Å; L127-F584 HydrophobicContact CG-CD1 4.37Å; L127-L587 HydrophobicContact CD2-CB 3.71Å; L127-R588 HydrophobicContact CD1-CB 4.37Å; L127-L591 HydrophobicContact CD2-CD1 3.87Å; L127-L591 HydrophobicContact CD2-CD2 4.33Å; L127-L591 HydrophobicContact CD2-CG 4.28Å; L127-L591 HydrophobicContact CG-CD1 4.23Å |
| 128 | S | 97.9 | Very high | 97 | Very high | 10 Ų | 10 | 25.2 Ų | 25.2 | 7% | 0.07 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.9 | -30.1 | 175.9 | 78.3 | 0 | 0 | 0 | 0 | 112.4 | L124 S125 L126 E130 V131 I132 K156 | L124-S128 PolarHBondContact O-N 3.23Å; S125-S128 WeakPolarHBondContact O-CB 3.23Å; S125-S128 PolarHBondContact O-N 3.48Å; S125-S128 PolarHBondContact O-OG 3.27Å; L126-S128 PolarHBondContact O-N 3.24Å; S128-E130 VanDerWaalsContact C-N 3.29Å; S128-E130 PolarHBondContact O-N 3.13Å; S128-V131 PolarHBondContact O-N 2.85Å; S128-I132 WeakPolarHBondContact O-CB 3.3Å; S128-I132 WeakPolarHBondContact O-CD1 3.49Å; S128-I132 WeakPolarHBondContact O-CG1 3.35Å; S128-I132 PolarHBondContact O-N 3.46Å; S128-K156 WeakPolarHBondContact OG-CB 3.17Å |
| 129 | R | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.5 | -45.5 | 173.2 | -173.3 | -168.7 | 67.9 | -162.9 | -2 | 111.2 | L126 L127 I132 A133 K156 P159 G160 M163 G597 A598 T599 | L126-R129 WeakPolarHBondContact O-CB 3.41Å; L126-R129 PolarHBondContact O-N 2.92Å; L127-R129 PolarHBondContact O-N 3.14Å; R129-I132 PolarHBondContact O-N 2.79Å; R129-A133 PolarHBondContact O-N 3.4Å; R129-K156 HydrophobicContact CB-CB 4.27Å; R129-P159 HydrophobicContact CG-CB 4.02Å; R129-G160 WeakPolarHBondContact O-CA 3.37Å; R129-M163 HydrophobicContact CG-SD 4.04Å; R129-G597 PolarHBondContact NH1-O 3.39Å; R129-G597 PolarHBondContact NH2-O 3.49Å; R129-G597 VanDerWaalsContact NH2-O 3.15Å; R129-A598 PolarHBondContact NH2-O 3.24Å; R129-T599 VanDerWaalsContact NH2-CA 3.32Å; R129-T599 VanDerWaalsContact NH2-CB 3.27Å |
| 130 | E | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.1 | -43.6 | -179.6 | -48.9 | -61.2 | 97.4 | 0 | 0 | 110.4 | L127 S128 I132 A133 M134 L591 T599 C600 I601 | L127-E130 WeakPolarHBondContact O-CB 3.29Å; L127-E130 PolarHBondContact O-N 3.35Å; S128-E130 VanDerWaalsContact C-N 3.29Å; S128-E130 PolarHBondContact O-N 3.13Å; E130-I132 VanDerWaalsContact C-N 3.32Å; E130-I132 PolarHBondContact O-N 2.66Å; E130-A133 PolarHBondContact O-N 3.21Å; E130-M134 VanDerWaalsContact O-CG 3.28Å; E130-M134 WeakPolarHBondContact O-CG 3.44Å; E130-M134 PolarHBondContact O-N 2.77Å; E130-L591 HydrophobicContact CG-CD2 4.46Å; E130-T599 WeakPolarHBondContact OE2-CA 3.28Å; E130-T599 PolarHBondContact OE2-OG1 2.92Å; E130-C600 PolarHBondContact OE2-N 2.58Å; E130-C600 PolarHBondContact OE2-SG 2.99Å; E130-I601 HydrophobicContact CB-CD1 4.41Å; E130-I601 PolarHBondContact OE2-N 2.64Å |
| 131 | V | 98.5 | Very high | 97.7 | Very high | 37 Ų | 37 | 20 Ų | 20 | 22% | 0.224 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.3 | -39 | 176.5 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | P109 L127 S128 M134 S135 F584 L587 | P109-V131 HydrophobicContact CG-CG1 3.87Å; L127-V131 PolarHBondContact O-N 3.39Å; S128-V131 PolarHBondContact O-N 2.85Å; V131-M134 PolarHBondContact O-N 2.58Å; V131-S135 VanDerWaalsContact O-CB 3.27Å; V131-S135 WeakPolarHBondContact O-CB 3.46Å; V131-S135 PolarHBondContact O-N 3.45Å; V131-S135 PolarHBondContact O-OG 2.99Å; V131-F584 HydrophobicContact CG2-CD1 4.38Å; V131-F584 HydrophobicContact CG2-CE1 3.55Å; V131-F584 HydrophobicContact CG2-CZ 4.3Å; V131-L587 HydrophobicContact CG2-CD1 4.25Å |
| 132 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.9 | -45.1 | 176.3 | -70.8 | 164.6 | 0 | 0 | 0 | 110.5 | V108 P109 S128 R129 E130 M134 S135 A136 I157 L161 | V108-I132 HydrophobicContact CB-CG1 4.42Å; V108-I132 HydrophobicContact CB-CG2 4.09Å; V108-I132 HydrophobicContact CG1-CG2 4.33Å; V108-I132 HydrophobicContact CG2-CG2 4.09Å; P109-I132 HydrophobicContact CG-CG1 3.88Å; P109-I132 VanDerWaalsContact O-CD1 3.31Å; P109-I132 WeakPolarHBondContact O-CD1 3.23Å; P109-I132 VanDerWaalsContact O-CG1 3.3Å; P109-I132 WeakPolarHBondContact O-CG1 3.45Å; S128-I132 WeakPolarHBondContact O-CB 3.3Å; S128-I132 WeakPolarHBondContact O-CD1 3.49Å; S128-I132 WeakPolarHBondContact O-CG1 3.35Å; S128-I132 PolarHBondContact O-N 3.46Å; R129-I132 PolarHBondContact O-N 2.79Å; E130-I132 VanDerWaalsContact C-N 3.32Å; E130-I132 PolarHBondContact O-N 2.66Å; I132-M134 VanDerWaalsContact C-N 3.35Å; I132-M134 PolarHBondContact O-N 3.35Å; I132-S135 PolarHBondContact O-N 2.93Å; I132-A136 WeakPolarHBondContact O-CB 3.07Å; I132-A136 PolarHBondContact O-N 3.47Å; I132-I157 HydrophobicContact CD1-CB 4.2Å; I132-I157 HydrophobicContact CD1-CG1 3.78Å; I132-L161 HydrophobicContact CG2-CD2 3.82Å; I132-L161 HydrophobicContact CG2-CG 3.99Å |
| 133 | A | 98.8 | Very high | 97.5 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 6% | 0.058 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.6 | -46.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R129 E130 A137 G160 M163 I601 | R129-A133 PolarHBondContact O-N 3.4Å; E130-A133 PolarHBondContact O-N 3.21Å; A133-A137 WeakPolarHBondContact O-CB 3.38Å; A133-A137 PolarHBondContact O-N 3Å; A133-G160 WeakPolarHBondContact CA-O 3.19Å; A133-G160 WeakPolarHBondContact CB-O 3.41Å; A133-M163 HydrophobicContact CB-CB 4Å; A133-M163 HydrophobicContact CB-CE 4.42Å; A133-I601 HydrophobicContact CB-CD1 3.95Å |
| 134 | M | 98.5 | Very high | 97.4 | Very high | 78 Ų | 78 | 26.8 Ų | 26.8 | 38% | 0.384 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64.7 | -43.3 | 177.9 | -67.3 | 175.3 | -172.9 | 0 | 0 | 112.3 | E130 V131 I132 A137 V138 L587 I601 | E130-M134 VanDerWaalsContact O-CG 3.28Å; E130-M134 WeakPolarHBondContact O-CG 3.44Å; E130-M134 PolarHBondContact O-N 2.77Å; V131-M134 PolarHBondContact O-N 2.58Å; I132-M134 VanDerWaalsContact C-N 3.35Å; I132-M134 PolarHBondContact O-N 3.35Å; M134-A137 WeakPolarHBondContact O-CB 3.45Å; M134-A137 PolarHBondContact O-N 3.16Å; M134-V138 WeakPolarHBondContact O-CG2 3.34Å; M134-V138 PolarHBondContact O-N 3.33Å; M134-L587 HydrophobicContact CE-CD2 3.89Å; M134-I601 HydrophobicContact CE-CD1 4.2Å; M134-I601 HydrophobicContact CE-CG1 3.89Å |
| 135 | S | 98.6 | Very high | 97.4 | Very high | 37 Ų | 37 | 26.4 Ų | 26.4 | 26% | 0.259 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 179.3 | -69.3 | 0 | 0 | 0 | 0 | 112.4 | V131 I132 A137 V138 G139 | V131-S135 VanDerWaalsContact O-CB 3.27Å; V131-S135 WeakPolarHBondContact O-CB 3.46Å; V131-S135 PolarHBondContact O-N 3.45Å; V131-S135 PolarHBondContact O-OG 2.99Å; I132-S135 PolarHBondContact O-N 2.93Å; S135-A137 VanDerWaalsContact C-N 3.29Å; S135-A137 PolarHBondContact O-N 3.4Å; S135-V138 PolarHBondContact O-N 3.01Å; S135-G139 PolarHBondContact O-N 3.01Å; S135-G139 VanDerWaalsContact O-N 3.16Å |
| 136 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.1 | -38.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I71 V108 I132 V138 G139 L140 L161 A164 | I71-A136 HydrophobicContact CG2-CB 3.96Å; V108-A136 HydrophobicContact CG1-CB 3.83Å; I132-A136 WeakPolarHBondContact O-CB 3.07Å; I132-A136 PolarHBondContact O-N 3.47Å; A136-V138 VanDerWaalsContact C-N 3.35Å; A136-V138 PolarHBondContact O-N 3.49Å; A136-G139 PolarHBondContact O-N 3.03Å; A136-L140 WeakPolarHBondContact O-CG 3.46Å; A136-L140 PolarHBondContact O-N 3.4Å; A136-L161 HydrophobicContact CB-CD2 4.17Å; A136-A164 HydrophobicContact CB-CB 3.42Å; A136-A164 VanDerWaalsContact CB-CB 3.42Å |
| 137 | A | 98.5 | Very high | 97.3 | Very high | 28 Ų | 28 | 26.9 Ų | 26.9 | 23% | 0.231 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.5 | -39.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A133 M134 S135 G139 L140 S141 F168 | A133-A137 WeakPolarHBondContact O-CB 3.38Å; A133-A137 PolarHBondContact O-N 3Å; M134-A137 WeakPolarHBondContact O-CB 3.45Å; M134-A137 PolarHBondContact O-N 3.16Å; S135-A137 VanDerWaalsContact C-N 3.29Å; S135-A137 PolarHBondContact O-N 3.4Å; A137-G139 PolarHBondContact O-N 2.81Å; A137-L140 PolarHBondContact O-N 3.31Å; A137-S141 VanDerWaalsContact O-CB 3.26Å; A137-S141 WeakPolarHBondContact O-CB 3.33Å; A137-S141 PolarHBondContact O-N 3.49Å; A137-F168 HydrophobicContact CB-CE2 3.81Å; A137-F168 HydrophobicContact CB-CZ 4.47Å; A137-F168 WeakPolarHBondContact O-CZ 3.13Å |
| 138 | V | 98.6 | Very high | 97.3 | Very high | 96 Ų | 96 | 27 Ų | 27 | 58% | 0.582 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -58.4 | -48.6 | 173.3 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | M134 S135 A136 L140 S141 | M134-V138 WeakPolarHBondContact O-CG2 3.34Å; M134-V138 PolarHBondContact O-N 3.33Å; S135-V138 PolarHBondContact O-N 3.01Å; A136-V138 VanDerWaalsContact C-N 3.35Å; A136-V138 PolarHBondContact O-N 3.49Å; V138-L140 PolarHBondContact O-N 3.22Å; V138-S141 PolarHBondContact O-N 2.99Å; V138-S141 PolarHBondContact O-OG 2.82Å |
| 139 | G | 97.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.4 | -40.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A105 S135 A136 A137 H142 | A105-G139 VanDerWaalsContact O-CA 3.23Å; A105-G139 WeakPolarHBondContact O-CA 3.46Å; S135-G139 PolarHBondContact O-N 3.01Å; S135-G139 VanDerWaalsContact O-N 3.16Å; A136-G139 PolarHBondContact O-N 3.03Å; A137-G139 PolarHBondContact O-N 2.81Å; G139-H142 PolarHBondContact O-CD2 3.35Å |
| 140 | L | 97.9 | Very high | 97.4 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -75.7 | -24.1 | 178.8 | -66.1 | 172.7 | 0 | 0 | 0 | 113 | A69 I71 A136 A137 V138 H142 N143 F145 A148 F150 F168 | A69-L140 HydrophobicContact CB-CD2 3.59Å; I71-L140 HydrophobicContact CD1-CD2 4.2Å; I71-L140 HydrophobicContact CD1-CG 4.13Å; I71-L140 HydrophobicContact CG1-CD2 4.23Å; I71-L140 HydrophobicContact CG1-CG 4.33Å; A136-L140 WeakPolarHBondContact O-CG 3.46Å; A136-L140 PolarHBondContact O-N 3.4Å; A137-L140 PolarHBondContact O-N 3.31Å; V138-L140 PolarHBondContact O-N 3.22Å; L140-H142 PolarHBondContact O-N 3.24Å; L140-N143 PolarHBondContact O-N 3.26Å; L140-N143 VanDerWaalsContact O-N 3.09Å; L140-F145 HydrophobicContact CD2-CD2 4.36Å; L140-A148 HydrophobicContact CD2-CB 4.17Å; L140-F150 HydrophobicContact CD1-CE1 4.29Å; L140-F150 HydrophobicContact CD1-CZ 4Å; L140-F168 HydrophobicContact CB-CD1 3.8Å; L140-F168 HydrophobicContact CB-CD2 3.91Å; L140-F168 HydrophobicContact CB-CE1 3.65Å; L140-F168 HydrophobicContact CB-CE2 3.81Å; L140-F168 HydrophobicContact CB-CG 3.92Å; L140-F168 HydrophobicContact CB-CZ 3.66Å; L140-F168 HydrophobicContact CD1-CB 4.18Å; L140-F168 HydrophobicContact CD1-CD2 3.73Å; L140-F168 HydrophobicContact CD1-CE2 4.3Å; L140-F168 HydrophobicContact CD1-CG 3.9Å; L140-F168 HydrophobicContact CG-CD2 4.49Å |
| 141 | S | 96.2 | Very high | 97.4 | Very high | 73 Ų | 73 | 26.6 Ų | 26.6 | 51% | 0.51 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -11.8 | -179.1 | 75.5 | 0 | 0 | 0 | 0 | 114.6 | A137 V138 N143 | A137-S141 VanDerWaalsContact O-CB 3.26Å; A137-S141 WeakPolarHBondContact O-CB 3.33Å; A137-S141 PolarHBondContact O-N 3.49Å; V138-S141 PolarHBondContact O-N 2.99Å; V138-S141 PolarHBondContact O-OG 2.82Å; S141-N143 PolarHBondContact O-N 2.66Å; S141-N143 VanDerWaalsContact O-N 3.1Å |
| 142 | H | 94.5 | Very high | 97.3 | Very high | 108 Ų | 108 | 25 Ų | 25 | 50% | 0.5 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.4 | 169.7 | -64.1 | -47.7 | 0 | 0 | 0 | 113 | G139 L140 M144 F145 | G139-H142 PolarHBondContact O-CD2 3.35Å; L140-H142 PolarHBondContact O-N 3.24Å; H142-M144 PolarHBondContact O-N 2.85Å; H142-F145 HydrophobicContact CB-CE2 4.26Å |
| 143 | N | 92.6 | Very high | 97.1 | Very high | 54 Ų | 54 | 25 Ų | 25 | 29% | 0.289 | 15% | 0.147 | S | C | . | . | trans | 54.6 | 36.7 | 174.2 | -166 | 33.7 | 0 | 0 | 0 | 113.1 | L140 S141 | L140-N143 PolarHBondContact O-N 3.26Å; L140-N143 VanDerWaalsContact O-N 3.09Å; S141-N143 PolarHBondContact O-N 2.66Å; S141-N143 VanDerWaalsContact O-N 3.1Å | ||
| 144 | M | 94.5 | Very high | 96.8 | Very high | 10 Ų | 10 | 25.3 Ų | 25.3 | 5% | 0.049 | 15% | 0.148 | C | C | . | . | trans | -102.6 | -7.5 | -178.6 | -81.4 | -163 | 66.1 | 0 | 0 | 114 | L40 G48 N67 H142 | L40-M144 HydrophobicContact CD1-CG 3.73Å; G48-M144 WeakPolarHBondContact CA-SD 3.38Å; N67-M144 WeakPolarHBondContact CB-O 3.41Å; N67-M144 PolarHBondContact ND2-O 3.15Å; N67-M144 VanDerWaalsContact ND2-O 3.1Å; H142-M144 PolarHBondContact O-N 2.85Å | ||
| 145 | F | 95.7 | Very high | 96.4 | Very high | 10 Ų | 10 | 21.9 Ų | 21.9 | 4% | 0.044 | 13% | 0.131 | C | C | . | . | trans | -114.3 | 146 | -160 | -50.5 | -67.5 | 0 | 0 | 0 | 111.3 | H36 N67 A69 Q103 A105 L140 H142 L171 | H36-F145 PolarHBondContact CD2-O 2.98Å; N67-F145 CarbonylContact O-C 3.54Å; N67-F145 VanDerWaalsContact O-CA 3.26Å; N67-F145 WeakPolarHBondContact O-CA 3.4Å; A69-F145 HydrophobicContact CB-CB 3.98Å; A69-F145 HydrophobicContact CB-CD1 3.79Å; A69-F145 HydrophobicContact CB-CD2 3.78Å; A69-F145 HydrophobicContact CB-CE1 4.2Å; A69-F145 HydrophobicContact CB-CE2 4.18Å; A69-F145 HydrophobicContact CB-CG 3.57Å; A69-F145 HydrophobicContact CB-CZ 4.39Å; Q103-F145 HydrophobicContact CB-CE1 4.21Å; A105-F145 HydrophobicContact CB-CD2 4.29Å; A105-F145 HydrophobicContact CB-CE1 4.13Å; A105-F145 HydrophobicContact CB-CE2 3.44Å; A105-F145 VanDerWaalsContact CB-CE2 3.44Å; A105-F145 HydrophobicContact CB-CZ 3.35Å; L140-F145 HydrophobicContact CD2-CD2 4.36Å; H142-F145 HydrophobicContact CB-CE2 4.26Å; F145-L171 WeakPolarHBondContact O-CD2 3.44Å | ||
| 146 | D | 95.4 | Very high | 96.3 | Very high | 10 Ų | 10 | 20.1 Ų | 20.1 | 5% | 0.053 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -108.9 | -3.2 | -178.6 | -52.9 | -62.5 | 0 | 0 | 0 | 111.7 | V35 H36 R37 N66 N67 P172 T269 | V35-D146 WeakPolarHBondContact CA-OD1 3.41Å; V35-D146 VanDerWaalsContact CB-OD1 3.3Å; V35-D146 WeakPolarHBondContact CB-OD1 3.49Å; H36-D146 IonicContact CD2-OD1 3.24Å; H36-D146 PolarHBondContact N-OD1 3.34Å; R37-D146 IonicContact NH1-OD2 3.7Å; R37-D146 PolarHBondContact NH1-OD2 3.49Å; N66-D146 WeakPolarHBondContact CA-OD2 3.48Å; N66-D146 HydrophobicContact CB-CB 4.38Å; N67-D146 PolarHBondContact N-OD2 2.92Å; N67-D146 PolarHBondContact O-N 2.94Å; D146-P172 VanDerWaalsContact O-CD 3.26Å; D146-P172 WeakPolarHBondContact O-CD 3.37Å; D146-T269 HydrophobicContact CB-CG2 4.48Å; D146-T269 WeakPolarHBondContact O-CG2 3.49Å |
| 147 | G | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.2 | 170.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | I68 A69 P172 | I68-G147 WeakPolarHBondContact CA-O 3.38Å; A69-G147 PolarHBondContact N-O 3.21Å; G147-P172 CarbonylContact C-O 3.31Å; G147-P172 VanDerWaalsContact CA-O 3.27Å; G147-P172 WeakPolarHBondContact CA-O 3.38Å |
| 148 | A | 98.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 144 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A69 L140 F150 P172 A173 V174 | A69-A148 HydrophobicContact CB-CB 3.94Å; A69-A148 CarbonylContact O-C 3.56Å; A69-A148 WeakPolarHBondContact O-CA 3.41Å; L140-A148 HydrophobicContact CD2-CB 4.17Å; A148-F150 HydrophobicContact CB-CD2 4.32Å; A148-F150 HydrophobicContact CB-CE2 3.54Å; A148-F150 HydrophobicContact CB-CZ 3.86Å; A148-P172 PolarHBondContact N-O 3.01Å; A148-A173 VanDerWaalsContact O-CA 3.29Å; A148-A173 WeakPolarHBondContact O-CA 3.44Å; A148-V174 PolarHBondContact O-N 3.46Å |
| 149 | L | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 130.4 | 168.3 | -66.3 | 164.1 | 0 | 0 | 0 | 109.1 | I68 A69 I71 I91 L151 V174 V176 A261 A262 V265 | I68-L149 HydrophobicContact CG2-CD1 4.06Å; I68-L149 HydrophobicContact CG2-CG 4.03Å; A69-L149 PolarHBondContact O-N 3.25Å; I71-L149 PolarHBondContact N-O 3.28Å; I91-L149 HydrophobicContact CB-CD1 4.43Å; I91-L149 HydrophobicContact CD1-CD1 4.08Å; I91-L149 HydrophobicContact CG1-CD1 4.18Å; I91-L149 HydrophobicContact CG2-CD1 3.4Å; L149-L151 HydrophobicContact CB-CD2 4.38Å; L149-V174 WeakPolarHBondContact CA-O 3.44Å; L149-V174 HydrophobicContact CD2-CB 3.94Å; L149-V174 HydrophobicContact CD2-CG1 4.47Å; L149-V176 HydrophobicContact CD2-CG2 3.9Å; L149-A261 HydrophobicContact CD2-CB 4.31Å; L149-A262 HydrophobicContact CD1-CB 3.98Å; L149-V265 HydrophobicContact CD1-CG1 4.49Å; L149-V265 HydrophobicContact CD2-CB 4.34Å; L149-V265 HydrophobicContact CD2-CG1 4.02Å; L149-V265 HydrophobicContact CG-CG1 4.11Å |
| 150 | F | 98.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 108.9 | -178.8 | -67.9 | -85.7 | 0 | 0 | 0 | 109.4 | I71 L140 A148 L161 A165 A173 V174 F175 V176 | I71-F150 HydrophobicContact CB-CD1 4Å; I71-F150 HydrophobicContact CB-CE1 4.22Å; I71-F150 HydrophobicContact CG1-CD1 4.3Å; I71-F150 HydrophobicContact CG1-CE1 4.02Å; I71-F150 HydrophobicContact CG2-CD1 4.33Å; L140-F150 HydrophobicContact CD1-CE1 4.29Å; L140-F150 HydrophobicContact CD1-CZ 4Å; A148-F150 HydrophobicContact CB-CD2 4.32Å; A148-F150 HydrophobicContact CB-CE2 3.54Å; A148-F150 HydrophobicContact CB-CZ 3.86Å; F150-L161 HydrophobicContact CB-CB 4.48Å; F150-L161 HydrophobicContact CB-CD1 4.2Å; F150-L161 HydrophobicContact CD1-CB 3.98Å; F150-L161 HydrophobicContact CD1-CD2 4.04Å; F150-L161 HydrophobicContact CD1-CG 4.39Å; F150-A165 HydrophobicContact CD2-CB 4.23Å; F150-A165 HydrophobicContact CE1-CB 4.03Å; F150-A165 HydrophobicContact CE2-CB 3.54Å; F150-A165 HydrophobicContact CZ-CB 3.41Å; F150-A165 VanDerWaalsContact CZ-CB 3.41Å; F150-A173 HydrophobicContact CD2-CB 3.95Å; F150-A173 HydrophobicContact CE2-CB 3.53Å; F150-V174 PolarHBondContact N-O 3.33Å; F150-F175 HydrophobicContact CB-CD1 3.94Å; F150-F175 HydrophobicContact CB-CD2 4.16Å; F150-F175 HydrophobicContact CB-CE1 3.88Å; F150-F175 HydrophobicContact CB-CE2 4.06Å; F150-F175 HydrophobicContact CB-CG 4.08Å; F150-F175 HydrophobicContact CB-CZ 3.93Å; F150-F175 HydrophobicContact CD2-CD2 4.37Å; F150-F175 AromaticContact CD2-CE2 3.95Å; F150-F175 HydrophobicContact CD2-CE2 3.95Å; F150-F175 HydrophobicContact CD2-CZ 4.34Å; F150-F175 HydrophobicContact CG-CE1 4.47Å; F150-F175 HydrophobicContact CG-CE2 4.09Å; F150-F175 HydrophobicContact CG-CZ 4.04Å; F150-V176 PolarHBondContact O-N 3Å |
| 151 | L | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 98.5 | -178.3 | -41.1 | -173.9 | 0 | 0 | 0 | 108.4 | I70 I71 S73 Y84 I91 L149 V176 | I70-L151 HydrophobicContact CG2-CD1 3.62Å; I70-L151 HydrophobicContact CG2-CG 4.02Å; I71-L151 PolarHBondContact O-N 3.41Å; S73-L151 PolarHBondContact N-O 3.28Å; S73-L151 PolarHBondContact OG-O 3.08Å; Y84-L151 HydrophobicContact CD1-CB 3.71Å; Y84-L151 HydrophobicContact CD1-CD1 4.16Å; Y84-L151 HydrophobicContact CD1-CG 4.45Å; Y84-L151 HydrophobicContact CD2-CB 4.39Å; Y84-L151 HydrophobicContact CE1-CB 3.64Å; Y84-L151 HydrophobicContact CE2-CB 4.34Å; Y84-L151 HydrophobicContact CG-CB 4.09Å; I91-L151 HydrophobicContact CD1-CD1 4.06Å; I91-L151 HydrophobicContact CD1-CD2 3.88Å; L149-L151 HydrophobicContact CB-CD2 4.38Å; L151-V176 HydrophobicContact CD2-CB 3.58Å; L151-V176 HydrophobicContact CD2-CG1 4.22Å; L151-V176 HydrophobicContact CD2-CG2 3.81Å |
| 152 | G | 97.5 | Very high | 96.4 | Very high | 3 Ų | 3 | 10.6 Ų | 10.6 | 3% | 0.031 | 5% | 0.054 | C | C | . | . | trans | -173.6 | 148.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | S73 Y84 V158 | S73-G152 VanDerWaalsContact OG-CA 3.27Å; S73-G152 WeakPolarHBondContact OG-CA 3.42Å; Y84-G152 WeakPolarHBondContact OH-CA 3.39Å; Y84-G152 PolarHBondContact OH-N 3.19Å; G152-V158 WeakPolarHBondContact O-CG2 3.38Å | ||
| 153 | V | 94.7 | Very high | 96.6 | Very high | 2 Ų | 2 | 5.5 Ų | 5.5 | 1% | 0.012 | 3% | 0.031 | C | C | . | . | trans | -137.9 | -20.3 | -175.9 | -72.3 | 0 | 0 | 0 | 0 | 115.4 | A80 H81 P177 T220 Q231 | A80-V153 HydrophobicContact CB-CG2 3.9Å; A80-V153 VanDerWaalsContact O-CG2 3.3Å; A80-V153 WeakPolarHBondContact O-CG2 3.35Å; H81-V153 PolarHBondContact NE2-N 3.31Å; H81-V153 VanDerWaalsContact NE2-N 3.17Å; V153-P177 HydrophobicContact CG1-CB 3.79Å; V153-T220 HydrophobicContact CB-CG2 3.78Å; V153-T220 HydrophobicContact CG2-CG2 3.49Å; V153-T220 VanDerWaalsContact CG2-CG2 3.49Å; V153-Q231 HydrophobicContact CG1-CG 4.32Å | ||
| 154 | C | 91.7 | Very high | 96.9 | Very high | 13 Ų | 13 | 3 Ų | 3 | 9% | 0.088 | 2% | 0.017 | C | C | . | . | S | Bend | trans | -70.2 | 169.7 | -175 | -146.1 | 0 | 0 | 0 | 0 | 111.8 | H81 K156 I157 V158 N230 | H81-C154 PolarHBondContact CE1-N 3.27Å; H81-C154 VanDerWaalsContact CE1-N 3.32Å; C154-K156 PolarHBondContact O-N 2.84Å; C154-I157 HydrophobicContact CB-CB 4.48Å; C154-I157 HydrophobicContact CB-CD1 3.48Å; C154-I157 VanDerWaalsContact CB-CD1 3.48Å; C154-I157 HydrophobicContact CB-CG1 3.97Å; C154-I157 PolarHBondContact O-N 2.83Å; C154-V158 PolarHBondContact O-N 3.06Å; C154-N230 PolarHBondContact O-ND2 3.25Å |
| 155 | D | 90.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 2.6 Ų | 2.6 | 3% | 0.027 | 2% | 0.016 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | -59.9 | -173.1 | -174 | -38.6 | 0 | 0 | 0 | 113.2 | D113 P159 T226 N230 N302 H306 | D113-D155 WeakPolarHBondContact OD2-CB 3.42Å; D155-P159 WeakPolarHBondContact O-CD 3.4Å; D155-P159 WeakPolarHBondContact O-CG 3.12Å; D155-T226 HydrophobicContact CB-CG2 4.08Å; D155-T226 WeakPolarHBondContact OD1-CG2 3.4Å; D155-T226 WeakPolarHBondContact OD2-CB 3.39Å; D155-T226 VanDerWaalsContact OD2-CG2 3.22Å; D155-T226 WeakPolarHBondContact OD2-CG2 3.44Å; D155-T226 PolarHBondContact OD2-OG1 3.49Å; D155-N230 WeakPolarHBondContact CA-ND2 3.43Å; D155-N230 PolarHBondContact O-ND2 2.79Å; D155-N302 PolarHBondContact OD2-ND2 2.9Å; D155-H306 IonicContact OD1-CD2 3.84Å; D155-H306 IonicContact OD1-CE1 2.73Å; D155-H306 IonicContact OD1-NE2 2.73Å; D155-H306 PolarHBondContact OD1-NE2 3.09Å |
| 156 | K | 95.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 2.2 Ų | 2.2 | 0% | 0.004 | 1% | 0.014 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -18.1 | -172.4 | -47.8 | -60.8 | -176.2 | -65.6 | 0 | 112.9 | D113 S125 S128 R129 C154 G160 E486 R511 | D113-K156 IonicContact OD1-NZ 3.02Å; D113-K156 IonicContact OD2-NZ 3.09Å; D113-K156 PolarHBondContact OD2-NZ 2.77Å; S125-K156 VanDerWaalsContact O-CG 3.29Å; S125-K156 WeakPolarHBondContact O-CG 3.29Å; S125-K156 WeakPolarHBondContact OG-CE 3.2Å; S125-K156 PolarHBondContact OG-NZ 2.82Å; S128-K156 WeakPolarHBondContact OG-CB 3.17Å; R129-K156 HydrophobicContact CB-CB 4.27Å; C154-K156 PolarHBondContact O-N 2.84Å; K156-G160 PolarHBondContact O-N 3.02Å; K156-E486 IonicContact NZ-OE1 3.21Å; K156-R511 VanDerWaalsContact CE-CZ 3.43Å |
| 157 | I | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -72.4 | -52.6 | -173.2 | -57.4 | 174.4 | 0 | 0 | 0 | 110.3 | S73 H81 A110 I132 C154 G160 L161 | S73-I157 WeakPolarHBondContact OG-CG2 3.17Å; H81-I157 VanDerWaalsContact CE1-CD1 3.4Å; H81-I157 WeakPolarHBondContact CE1-CD1 3.19Å; H81-I157 VanDerWaalsContact NE2-CD1 3.26Å; H81-I157 WeakPolarHBondContact NE2-CD1 3.48Å; A110-I157 HydrophobicContact CB-CD1 3.77Å; I132-I157 HydrophobicContact CD1-CB 4.2Å; I132-I157 HydrophobicContact CD1-CG1 3.78Å; C154-I157 HydrophobicContact CB-CB 4.48Å; C154-I157 HydrophobicContact CB-CD1 3.48Å; C154-I157 VanDerWaalsContact CB-CD1 3.48Å; C154-I157 HydrophobicContact CB-CG1 3.97Å; C154-I157 PolarHBondContact O-N 2.83Å; I157-G160 PolarHBondContact O-N 3.11Å; I157-L161 HydrophobicContact CG2-CD1 3.78Å; I157-L161 HydrophobicContact CG2-CG 4.12Å; I157-L161 WeakPolarHBondContact O-CB 3.4Å; I157-L161 VanDerWaalsContact O-CG 3.31Å; I157-L161 WeakPolarHBondContact O-CG 3.21Å; I157-L161 PolarHBondContact O-N 2.81Å |
| 158 | V | 97.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 6.6 Ų | 6.6 | 2% | 0.024 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -58.1 | -50.2 | -178.8 | 168.6 | 0 | 0 | 0 | 0 | 111.8 | G152 C154 G160 L161 T162 F175 N230 V234 | G152-V158 WeakPolarHBondContact O-CG2 3.38Å; C154-V158 PolarHBondContact O-N 3.06Å; V158-G160 VanDerWaalsContact C-N 3.35Å; V158-G160 PolarHBondContact O-N 3.09Å; V158-L161 PolarHBondContact O-N 2.99Å; V158-T162 WeakPolarHBondContact O-CB 3.46Å; V158-T162 PolarHBondContact O-N 2.86Å; V158-T162 PolarHBondContact O-OG1 3.3Å; V158-F175 HydrophobicContact CG1-CE1 4.44Å; V158-N230 HydrophobicContact CB-CB 3.96Å; V158-N230 HydrophobicContact CG1-CB 4.01Å; V158-N230 HydrophobicContact CG2-CB 4.08Å; V158-V234 HydrophobicContact CG1-CG2 3.44Å; V158-V234 VanDerWaalsContact CG1-CG2 3.44Å |
| 159 | P | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -60.9 | -40.5 | 177.5 | -24.5 | 35 | 0 | 0 | 0 | 113.6 | R129 D155 T162 M163 H306 M310 | R129-P159 HydrophobicContact CG-CB 4.02Å; D155-P159 WeakPolarHBondContact O-CD 3.4Å; D155-P159 WeakPolarHBondContact O-CG 3.12Å; P159-T162 PolarHBondContact O-N 3.05Å; P159-M163 WeakPolarHBondContact O-CG 3.29Å; P159-M163 PolarHBondContact O-N 2.63Å; P159-H306 HydrophobicContact CB-CB 3.93Å; P159-H306 HydrophobicContact CG-CB 3.66Å; P159-M310 HydrophobicContact CB-CG 4.13Å; P159-M310 HydrophobicContact CB-SD 4.05Å; P159-M310 HydrophobicContact CG-SD 4.45Å |
| 160 | G | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R129 A133 K156 I157 V158 M163 A164 | R129-G160 WeakPolarHBondContact O-CA 3.37Å; A133-G160 WeakPolarHBondContact CA-O 3.19Å; A133-G160 WeakPolarHBondContact CB-O 3.41Å; K156-G160 PolarHBondContact O-N 3.02Å; I157-G160 PolarHBondContact O-N 3.11Å; V158-G160 VanDerWaalsContact C-N 3.35Å; V158-G160 PolarHBondContact O-N 3.09Å; G160-M163 PolarHBondContact O-N 3.25Å; G160-A164 PolarHBondContact O-N 3.22Å |
| 161 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63.9 | -40 | 175 | -68.2 | -178 | 0 | 0 | 0 | 111.5 | I71 V108 I132 A136 F150 I157 V158 A164 A165 F175 | I71-L161 HydrophobicContact CG2-CD2 3.7Å; V108-L161 HydrophobicContact CG1-CD2 4.01Å; V108-L161 HydrophobicContact CG2-CD2 3.91Å; I132-L161 HydrophobicContact CG2-CD2 3.82Å; I132-L161 HydrophobicContact CG2-CG 3.99Å; A136-L161 HydrophobicContact CB-CD2 4.17Å; F150-L161 HydrophobicContact CB-CB 4.48Å; F150-L161 HydrophobicContact CB-CD1 4.2Å; F150-L161 HydrophobicContact CD1-CB 3.98Å; F150-L161 HydrophobicContact CD1-CD2 4.04Å; F150-L161 HydrophobicContact CD1-CG 4.39Å; I157-L161 HydrophobicContact CG2-CD1 3.78Å; I157-L161 HydrophobicContact CG2-CG 4.12Å; I157-L161 WeakPolarHBondContact O-CB 3.4Å; I157-L161 VanDerWaalsContact O-CG 3.31Å; I157-L161 WeakPolarHBondContact O-CG 3.21Å; I157-L161 PolarHBondContact O-N 2.81Å; V158-L161 PolarHBondContact O-N 2.99Å; L161-A164 PolarHBondContact O-N 3.43Å; L161-A165 WeakPolarHBondContact O-CB 3.25Å; L161-A165 PolarHBondContact O-N 2.87Å; L161-F175 HydrophobicContact CB-CE1 3.79Å; L161-F175 HydrophobicContact CB-CZ 4.05Å |
| 162 | T | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 175.9 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | V158 P159 A164 A165 L166 F175 M239 M310 | V158-T162 WeakPolarHBondContact O-CB 3.46Å; V158-T162 PolarHBondContact O-N 2.86Å; V158-T162 PolarHBondContact O-OG1 3.3Å; P159-T162 PolarHBondContact O-N 3.05Å; T162-A164 VanDerWaalsContact C-N 3.31Å; T162-A164 PolarHBondContact O-N 3.28Å; T162-A165 PolarHBondContact O-N 2.98Å; T162-L166 HydrophobicContact CG2-CD1 3.77Å; T162-L166 HydrophobicContact CG2-CG 4.36Å; T162-L166 WeakPolarHBondContact O-CB 3.18Å; T162-L166 VanDerWaalsContact O-CG 3.29Å; T162-L166 WeakPolarHBondContact O-CG 3.31Å; T162-L166 PolarHBondContact O-N 2.99Å; T162-F175 WeakPolarHBondContact OG1-CZ 3.26Å; T162-M239 HydrophobicContact CG2-CE 3.92Å; T162-M310 VanDerWaalsContact CB-SD 3.59Å; T162-M310 HydrophobicContact CG2-CB 3.97Å; T162-M310 HydrophobicContact CG2-CG 3.73Å; T162-M310 HydrophobicContact CG2-SD 3.63Å |
| 163 | M | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 7.9 Ų | 7.9 | 1% | 0.005 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -59.8 | -41.4 | 175.7 | -70.6 | 161 | 66.3 | 0 | 0 | 111.8 | R129 A133 P159 G160 S167 A309 M310 A313 I601 F603 | R129-M163 HydrophobicContact CG-SD 4.04Å; A133-M163 HydrophobicContact CB-CB 4Å; A133-M163 HydrophobicContact CB-CE 4.42Å; P159-M163 WeakPolarHBondContact O-CG 3.29Å; P159-M163 PolarHBondContact O-N 2.63Å; G160-M163 PolarHBondContact O-N 3.25Å; M163-S167 PolarHBondContact O-N 2.54Å; M163-S167 VanDerWaalsContact O-N 3.07Å; M163-S167 PolarHBondContact O-OG 2.69Å; M163-A309 HydrophobicContact CE-CB 4.49Å; M163-A309 HydrophobicContact SD-CB 4.04Å; M163-M310 HydrophobicContact CG-CG 4.46Å; M163-A313 HydrophobicContact CB-CB 4.35Å; M163-A313 HydrophobicContact CG-CB 4.29Å; M163-I601 HydrophobicContact CE-CD1 3.74Å; M163-F603 HydrophobicContact CB-CZ 4.17Å; M163-F603 HydrophobicContact CE-CE2 4.05Å; M163-F603 HydrophobicContact CE-CZ 3.66Å; M163-F603 HydrophobicContact CG-CZ 4.23Å |
| 164 | A | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.008 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -66.7 | -47.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A136 G160 L161 T162 L166 S167 F168 | A136-A164 HydrophobicContact CB-CB 3.42Å; A136-A164 VanDerWaalsContact CB-CB 3.42Å; G160-A164 PolarHBondContact O-N 3.22Å; L161-A164 PolarHBondContact O-N 3.43Å; T162-A164 VanDerWaalsContact C-N 3.31Å; T162-A164 PolarHBondContact O-N 3.28Å; A164-L166 VanDerWaalsContact C-N 3.26Å; A164-L166 PolarHBondContact O-N 3.4Å; A164-S167 WeakPolarHBondContact O-CB 3.17Å; A164-S167 PolarHBondContact O-N 3.24Å; A164-F168 WeakPolarHBondContact O-CD2 3.26Å; A164-F168 PolarHBondContact O-N 2.74Å; A164-F168 VanDerWaalsContact O-N 3.1Å |
| 165 | A | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 7.4 Ų | 7.4 | 2% | 0.017 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -57.1 | -41.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F150 L161 T162 F168 G169 A173 F175 I278 | F150-A165 HydrophobicContact CD2-CB 4.23Å; F150-A165 HydrophobicContact CE1-CB 4.03Å; F150-A165 HydrophobicContact CE2-CB 3.54Å; F150-A165 HydrophobicContact CZ-CB 3.41Å; F150-A165 VanDerWaalsContact CZ-CB 3.41Å; L161-A165 WeakPolarHBondContact O-CB 3.25Å; L161-A165 PolarHBondContact O-N 2.87Å; T162-A165 PolarHBondContact O-N 2.98Å; A165-F168 CarbonylContact O-C 3.32Å; A165-F168 PolarHBondContact O-N 3.14Å; A165-G169 WeakPolarHBondContact O-CA 3.16Å; A165-G169 PolarHBondContact O-N 2.98Å; A165-G169 VanDerWaalsContact O-N 3.17Å; A165-A173 HydrophobicContact CB-CB 4.38Å; A165-F175 HydrophobicContact CB-CE2 4.41Å; A165-I278 HydrophobicContact CB-CD1 3.91Å; A165-I278 HydrophobicContact CB-CG2 4.48Å; A165-I278 WeakPolarHBondContact O-CG2 3.45Å |
| 166 | L | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -70.9 | -30.6 | 176.7 | -69.8 | 168.9 | 0 | 0 | 0 | 113 | Y23 T162 A164 F168 G169 I278 I282 M310 A313 A314 | Y23-L166 VanDerWaalsContact CE2-O 3.28Å; Y23-L166 WeakPolarHBondContact CE2-O 3.35Å; Y23-L166 PolarHBondContact OH-O 2.87Å; T162-L166 HydrophobicContact CG2-CD1 3.77Å; T162-L166 HydrophobicContact CG2-CG 4.36Å; T162-L166 WeakPolarHBondContact O-CB 3.18Å; T162-L166 VanDerWaalsContact O-CG 3.29Å; T162-L166 WeakPolarHBondContact O-CG 3.31Å; T162-L166 PolarHBondContact O-N 2.99Å; A164-L166 VanDerWaalsContact C-N 3.26Å; A164-L166 PolarHBondContact O-N 3.4Å; L166-F168 PolarHBondContact O-N 2.95Å; L166-G169 WeakPolarHBondContact O-CA 3.47Å; L166-G169 PolarHBondContact O-N 3.46Å; L166-I278 HydrophobicContact CD2-CG1 4.26Å; L166-I282 HydrophobicContact CD2-CB 3.97Å; L166-I282 HydrophobicContact CD2-CG1 3.99Å; L166-I282 HydrophobicContact CD2-CG2 4.35Å; L166-M310 WeakPolarHBondContact CD1-O 3.25Å; L166-A313 HydrophobicContact CB-CB 3.92Å; L166-A313 HydrophobicContact CD1-CB 3.99Å; L166-A314 HydrophobicContact CD1-CB 4.01Å; L166-A314 HydrophobicContact CD2-CB 3.94Å; L166-A314 HydrophobicContact CG-CB 4.48Å |
| 167 | S | 97.9 | Very high | 98.1 | Very high | 64 Ų | 64 | 7.4 Ų | 7.4 | 45% | 0.448 | 4% | 0.043 | S | C | . | . | H | α-helix | trans | -65.3 | -30.9 | 171.8 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | M163 A164 G169 | M163-S167 PolarHBondContact O-N 2.54Å; M163-S167 VanDerWaalsContact O-N 3.07Å; M163-S167 PolarHBondContact O-OG 2.69Å; A164-S167 WeakPolarHBondContact O-CB 3.17Å; A164-S167 PolarHBondContact O-N 3.24Å; S167-G169 VanDerWaalsContact C-N 3.33Å |
| 168 | F | 97.6 | Very high | 98.1 | Very high | 38 Ų | 38 | 7.4 Ų | 7.4 | 17% | 0.167 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 36.3 | 169.5 | -67.4 | -98.9 | 0 | 0 | 0 | 111.3 | A137 L140 A164 A165 L166 H170 L171 | A137-F168 HydrophobicContact CB-CE2 3.81Å; A137-F168 HydrophobicContact CB-CZ 4.47Å; A137-F168 WeakPolarHBondContact O-CZ 3.13Å; L140-F168 HydrophobicContact CB-CD1 3.8Å; L140-F168 HydrophobicContact CB-CD2 3.91Å; L140-F168 HydrophobicContact CB-CE1 3.65Å; L140-F168 HydrophobicContact CB-CE2 3.81Å; L140-F168 HydrophobicContact CB-CG 3.92Å; L140-F168 HydrophobicContact CB-CZ 3.66Å; L140-F168 HydrophobicContact CD1-CB 4.18Å; L140-F168 HydrophobicContact CD1-CD2 3.73Å; L140-F168 HydrophobicContact CD1-CE2 4.3Å; L140-F168 HydrophobicContact CD1-CG 3.9Å; L140-F168 HydrophobicContact CG-CD2 4.49Å; A164-F168 WeakPolarHBondContact O-CD2 3.26Å; A164-F168 PolarHBondContact O-N 2.74Å; A164-F168 VanDerWaalsContact O-N 3.1Å; A165-F168 CarbonylContact O-C 3.32Å; A165-F168 PolarHBondContact O-N 3.14Å; L166-F168 PolarHBondContact O-N 2.95Å; F168-H170 PolarHBondContact O-N 3.2Å; F168-L171 HydrophobicContact CB-CD1 4.15Å; F168-L171 HydrophobicContact CB-CG 4.48Å; F168-L171 WeakPolarHBondContact O-CB 3.43Å; F168-L171 PolarHBondContact O-N 2.59Å |
| 169 | G | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -1.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | Y23 A165 L166 S167 P277 G279 | Y23-G169 WeakPolarHBondContact OH-CA 3.46Å; A165-G169 WeakPolarHBondContact O-CA 3.16Å; A165-G169 PolarHBondContact O-N 2.98Å; A165-G169 VanDerWaalsContact O-N 3.17Å; L166-G169 WeakPolarHBondContact O-CA 3.47Å; L166-G169 PolarHBondContact O-N 3.46Å; S167-G169 VanDerWaalsContact C-N 3.33Å; G169-P277 WeakPolarHBondContact O-CB 2.95Å; G169-G279 VanDerWaalsContact O-CA 3.29Å; G169-G279 WeakPolarHBondContact O-CA 3.24Å; G169-G279 PolarHBondContact O-N 3.16Å |
| 170 | H | 96.3 | Very high | 97.9 | Very high | 21 Ų | 21 | 7.2 Ų | 7.2 | 10% | 0.097 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -14.6 | 171.5 | 61 | -86.6 | 0 | 0 | 0 | 113 | I27 A30 H36 F168 W275 P277 | I27-H170 HydrophobicContact CG2-CB 4.04Å; A30-H170 HydrophobicContact CB-CB 3.85Å; A30-H170 WeakPolarHBondContact CB-ND1 3.36Å; H36-H170 AromaticContact CE1-CD2 3.25Å; H36-H170 PolarHBondContact CE1-CD2 3.43Å; H36-H170 AromaticContact CE1-NE2 3.55Å; H36-H170 AromaticContact NE2-CD2 3.55Å; F168-H170 PolarHBondContact O-N 3.2Å; H170-W275 PolarHBondContact O-NE1 3.32Å; H170-P277 VanDerWaalsContact O-CB 3.25Å; H170-P277 WeakPolarHBondContact O-CB 3.47Å |
| 171 | L | 96.9 | Very high | 97.7 | Very high | 9 Ų | 9 | 7.3 Ų | 7.3 | 5% | 0.047 | 4% | 0.042 | C | C | . | . | S | Bend | trans | -85.7 | 139.9 | 173 | -59.6 | -178.5 | 0 | 0 | 0 | 110.1 | F145 F168 I278 | F145-L171 WeakPolarHBondContact O-CD2 3.44Å; F168-L171 HydrophobicContact CB-CD1 4.15Å; F168-L171 HydrophobicContact CB-CG 4.48Å; F168-L171 WeakPolarHBondContact O-CB 3.43Å; F168-L171 PolarHBondContact O-N 2.59Å; L171-I278 WeakPolarHBondContact O-CG2 3.41Å; L171-I278 PolarHBondContact O-N 3.05Å |
| 172 | P | 97.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 9.7 Ų | 9.7 | 1% | 0.006 | 6% | 0.062 | C | C | . | . | trans | -60.1 | 140.4 | 159.5 | -18.8 | 32.1 | 0 | 0 | 0 | 110.2 | D146 G147 A148 V265 M268 T269 | D146-P172 VanDerWaalsContact O-CD 3.26Å; D146-P172 WeakPolarHBondContact O-CD 3.37Å; G147-P172 CarbonylContact C-O 3.31Å; G147-P172 VanDerWaalsContact CA-O 3.27Å; G147-P172 WeakPolarHBondContact CA-O 3.38Å; A148-P172 PolarHBondContact N-O 3.01Å; P172-V265 HydrophobicContact CB-CG2 4.08Å; P172-M268 HydrophobicContact CB-CB 3.71Å; P172-M268 HydrophobicContact CB-CE 4.31Å; P172-M268 HydrophobicContact CG-CB 4.11Å; P172-M268 WeakPolarHBondContact CG-O 3.45Å; P172-T269 HydrophobicContact CG-CG2 4.19Å | ||
| 173 | A | 98.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 12.7 Ų | 12.7 | 2% | 0.017 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 138.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A148 F150 A165 I278 | A148-A173 VanDerWaalsContact O-CA 3.29Å; A148-A173 WeakPolarHBondContact O-CA 3.44Å; F150-A173 HydrophobicContact CD2-CB 3.95Å; F150-A173 HydrophobicContact CE2-CB 3.53Å; A165-A173 HydrophobicContact CB-CB 4.38Å; A173-I278 HydrophobicContact CB-CB 3.85Å; A173-I278 HydrophobicContact CB-CD1 3.69Å; A173-I278 HydrophobicContact CB-CG1 4.3Å; A173-I278 HydrophobicContact CB-CG2 4.02Å |
| 174 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130.6 | 173.7 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | A148 L149 F150 A261 V265 M268 V373 | A148-V174 PolarHBondContact O-N 3.46Å; L149-V174 WeakPolarHBondContact CA-O 3.44Å; L149-V174 HydrophobicContact CD2-CB 3.94Å; L149-V174 HydrophobicContact CD2-CG1 4.47Å; F150-V174 PolarHBondContact N-O 3.33Å; V174-A261 HydrophobicContact CG1-CB 3.93Å; V174-V265 HydrophobicContact CB-CB 4.46Å; V174-V265 HydrophobicContact CG2-CB 3.81Å; V174-V265 HydrophobicContact CG2-CG2 4.26Å; V174-M268 HydrophobicContact CG2-SD 4.34Å; V174-V373 HydrophobicContact CB-CG1 4.48Å; V174-V373 HydrophobicContact CG2-CB 4.18Å; V174-V373 HydrophobicContact CG2-CG1 3.87Å |
| 175 | F | 98.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 16 Ų | 16 | 2% | 0.022 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 138.5 | 174.5 | -80 | -112.2 | 0 | 0 | 0 | 110 | F150 V158 L161 T162 A165 V234 M239 Q240 I278 | F150-F175 HydrophobicContact CB-CD1 3.94Å; F150-F175 HydrophobicContact CB-CD2 4.16Å; F150-F175 HydrophobicContact CB-CE1 3.88Å; F150-F175 HydrophobicContact CB-CE2 4.06Å; F150-F175 HydrophobicContact CB-CG 4.08Å; F150-F175 HydrophobicContact CB-CZ 3.93Å; F150-F175 HydrophobicContact CD2-CD2 4.37Å; F150-F175 AromaticContact CD2-CE2 3.95Å; F150-F175 HydrophobicContact CD2-CE2 3.95Å; F150-F175 HydrophobicContact CD2-CZ 4.34Å; F150-F175 HydrophobicContact CG-CE1 4.47Å; F150-F175 HydrophobicContact CG-CE2 4.09Å; F150-F175 HydrophobicContact CG-CZ 4.04Å; V158-F175 HydrophobicContact CG1-CE1 4.44Å; L161-F175 HydrophobicContact CB-CE1 3.79Å; L161-F175 HydrophobicContact CB-CZ 4.05Å; T162-F175 WeakPolarHBondContact OG1-CZ 3.26Å; A165-F175 HydrophobicContact CB-CE2 4.41Å; F175-V234 HydrophobicContact CB-CG1 3.96Å; F175-V234 HydrophobicContact CD1-CG1 4.49Å; F175-V234 HydrophobicContact CG-CG1 4.17Å; F175-M239 HydrophobicContact CD2-CB 4.27Å; F175-M239 HydrophobicContact CD2-CE 3.5Å; F175-M239 VanDerWaalsContact CD2-CE 3.5Å; F175-M239 HydrophobicContact CE1-CE 4.38Å; F175-M239 HydrophobicContact CE2-CE 3.17Å; F175-M239 HydrophobicContact CG-CE 4.26Å; F175-M239 HydrophobicContact CZ-CE 3.67Å; F175-M239 PolarHBondContact N-O 2.96Å; F175-Q240 HydrophobicContact CB-CB 4.25Å; F175-Q240 VanDerWaalsContact O-CB 3.26Å; F175-Q240 WeakPolarHBondContact O-CB 3.16Å; F175-I278 HydrophobicContact CE2-CD1 4.32Å |
| 176 | V | 98.7 | Very high | 96 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | trans | -123.2 | 99.2 | -176.9 | -171.9 | 0 | 0 | 0 | 0 | 109.3 | Y84 Y87 L149 F150 L151 T258 A261 | Y84-V176 WeakPolarHBondContact CE1-O 3.48Å; Y84-V176 PolarHBondContact OH-O 2.96Å; Y87-V176 HydrophobicContact CD2-CG1 4.25Å; Y87-V176 HydrophobicContact CE2-CG1 4.21Å; L149-V176 HydrophobicContact CD2-CG2 3.9Å; F150-V176 PolarHBondContact O-N 3Å; L151-V176 HydrophobicContact CD2-CB 3.58Å; L151-V176 HydrophobicContact CD2-CG1 4.22Å; L151-V176 HydrophobicContact CD2-CG2 3.81Å; V176-T258 HydrophobicContact CG1-CG2 4.23Å; V176-A261 HydrophobicContact CG2-CB 3.84Å | ||
| 177 | P | 97.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.019 | 13% | 0.134 | C | C | . | . | trans | -70.6 | 152.2 | 177.6 | 27.9 | -33.7 | 0 | 0 | 0 | 111.7 | V153 S244 R254 | V153-P177 HydrophobicContact CG1-CB 3.79Å; P177-S244 VanDerWaalsContact CG-O 3.27Å; P177-S244 WeakPolarHBondContact CG-O 3.49Å; P177-R254 PolarHBondContact O-NE 3.16Å; P177-R254 PolarHBondContact O-NH1 3.41Å | ||
| 178 | S | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -80.6 | -33.6 | 167.8 | 66.3 | 0 | 0 | 0 | 0 | 112 | A80 Y84 P249 R254 | A80-S178 PolarHBondContact O-OG 2.93Å; Y84-S178 PolarHBondContact OH-N 3.35Å; S178-P249 WeakPolarHBondContact O-CG 3.47Å; S178-R254 PolarHBondContact O-NE 2.91Å; S178-R254 PolarHBondContact O-NH2 3.46Å | ||
| 179 | G | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | 91.1 | 170.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115 | G219 T220 S245 V247 | G179-G219 CarbonylContact O-C 3.5Å; G179-G219 VanDerWaalsContact O-CA 3.25Å; G179-G219 WeakPolarHBondContact O-CA 3.49Å; G179-T220 PolarHBondContact O-N 3Å; G179-S245 WeakPolarHBondContact CA-O 3.25Å; G179-V247 WeakPolarHBondContact CA-O 3.36Å | ||
| 180 | P | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -80.4 | 155 | -178.6 | 33.9 | -36 | 0 | 0 | 0 | 112.4 | T220 F246 H248 P249 I344 N345 | P180-T220 VanDerWaalsContact CA-OG1 3.22Å; P180-T220 WeakPolarHBondContact CA-OG1 3.47Å; P180-F246 HydrophobicContact CG-CB 4.42Å; P180-F246 HydrophobicContact CG-CD1 4.33Å; P180-H248 PolarHBondContact O-ND1 3.46Å; P180-P249 WeakPolarHBondContact O-CD 3.41Å; P180-I344 HydrophobicContact CB-CG2 3.68Å; P180-I344 HydrophobicContact CG-CG2 3.96Å; P180-N345 WeakPolarHBondContact CG-OD1 3.03Å |
| 181 | M | 95.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 161.3 | 163.9 | 67.6 | -171.1 | 64.8 | 0 | 0 | 110.8 | A217 P218 G219 T220 T222 N345 | M181-A217 HydrophobicContact CB-CB 4.31Å; M181-A217 WeakPolarHBondContact CE-O 3.46Å; M181-P218 WeakPolarHBondContact CA-O 3.46Å; M181-P218 VanDerWaalsContact CB-O 3.31Å; M181-P218 WeakPolarHBondContact CB-O 3.25Å; M181-G219 VanDerWaalsContact CE-O 3.26Å; M181-G219 WeakPolarHBondContact CE-O 3.32Å; M181-T220 WeakPolarHBondContact CG-O 3.39Å; M181-T220 PolarHBondContact N-O 3.23Å; M181-T222 HydrophobicContact CG-CG2 3.63Å; M181-T222 WeakPolarHBondContact O-CG2 3.43Å; M181-N345 PolarHBondContact O-ND2 2.85Å |
| 182 | A | 94.7 | Very high | 93.2 | Very high | 50 Ų | 50 | 33.2 Ų | 33.2 | 41% | 0.413 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -61.5 | 161.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G184 H216 T222 | A182-G184 PolarHBondContact O-N 2.92Å; A182-H216 PolarHBondContact O-NE2 2.84Å; A182-T222 WeakPolarHBondContact O-CG2 3.27Å |
| 183 | S | 93.9 | Very high | 93.1 | Very high | 63 Ų | 63 | 34.2 Ų | 34.2 | 44% | 0.441 | 19% | 0.188 | S | C | . | . | P | Polyproline II helix | trans | -66.2 | 119.3 | 179 | -64.6 | 0 | 0 | 0 | 0 | 111.3 | D343 N345 | S183-D343 VanDerWaalsContact CB-OD2 3.23Å; S183-D343 WeakPolarHBondContact CB-OD2 3.29Å; S183-D343 VanDerWaalsContact OG-CG 3.3Å; S183-D343 PolarHBondContact OG-OD1 2.81Å; S183-D343 PolarHBondContact OG-OD2 3Å; S183-N345 PolarHBondContact N-ND2 3.41Å; S183-N345 VanDerWaalsContact N-ND2 3.12Å; S183-N345 WeakPolarHBondContact OG-CB 3.3Å; S183-N345 PolarHBondContact OG-ND2 3.26Å; S183-N345 VanDerWaalsContact OG-ND2 3.08Å |
| 184 | G | 91.4 | Very high | 92.7 | Very high | 26 Ų | 26 | 36 Ų | 36 | 27% | 0.268 | 19% | 0.194 | S | C | . | . | trans | -100.2 | -140.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | A182 H216 | A182-G184 PolarHBondContact O-N 2.92Å; G184-H216 VanDerWaalsContact CA-CD2 3.48Å; G184-H216 WeakPolarHBondContact CA-CD2 3.42Å; G184-H216 VanDerWaalsContact CA-NE2 3.33Å; G184-H216 WeakPolarHBondContact CA-NE2 3.32Å; G184-H216 PolarHBondContact N-NE2 2.86Å | ||
| 185 | L | 90.4 | Very high | 92.4 | Very high | 46 Ų | 46 | 37.7 Ų | 37.7 | 24% | 0.241 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -54.8 | 130.3 | 175.6 | -171.9 | 75.2 | 0 | 0 | 0 | 111.2 | N187 E189 K190 S210 A213 | L185-N187 PolarHBondContact O-N 3.23Å; L185-E189 HydrophobicContact CD1-CB 4.43Å; L185-E189 HydrophobicContact CD1-CG 4.05Å; L185-E189 HydrophobicContact CD2-CG 4.38Å; L185-E189 HydrophobicContact CG-CB 4.36Å; L185-E189 HydrophobicContact CG-CG 4.37Å; L185-K190 HydrophobicContact CD2-CB 4.23Å; L185-S210 WeakPolarHBondContact CD2-O 3.32Å; L185-A213 HydrophobicContact CB-CB 4.11Å; L185-A213 PolarHBondContact N-O 3.39Å; L185-A213 VanDerWaalsContact N-O 3.12Å |
| 186 | P | 87.7 | Confident | 92.2 | Very high | 88 Ų | 88 | 39.1 Ų | 39.1 | 57% | 0.571 | 21% | 0.21 | S | C | * | . | trans | -57 | 134.3 | 177.3 | -27.1 | 35.4 | 0 | 0 | 0 | 112.3 | K188 E189 K190 | P186-K188 PolarHBondContact O-N 3.07Å; P186-K188 VanDerWaalsContact O-N 3.12Å; P186-E189 WeakPolarHBondContact O-CB 3.5Å; P186-E189 PolarHBondContact O-N 2.92Å; P186-K190 PolarHBondContact O-N 2.89Å | ||
| 187 | N | 83.9 | Confident | 91.9 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.032 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.4 | -32.7 | -175.3 | -75.8 | -62 | 0 | 0 | 0 | 113.8 | L185 E189 K190 V191 Y337 | L185-N187 PolarHBondContact O-N 3.23Å; N187-E189 VanDerWaalsContact C-N 3.3Å; N187-E189 PolarHBondContact O-N 2.92Å; N187-K190 PolarHBondContact O-N 3.26Å; N187-K190 PolarHBondContact OD1-NZ 3.27Å; N187-V191 WeakPolarHBondContact O-CG2 3.28Å; N187-V191 PolarHBondContact O-N 3.38Å; N187-Y337 HydrophobicContact CB-CD1 3.31Å; N187-Y337 HydrophobicContact CB-CD2 3.64Å; N187-Y337 HydrophobicContact CB-CE1 3.52Å; N187-Y337 HydrophobicContact CB-CE2 3.81Å; N187-Y337 HydrophobicContact CB-CG 3.42Å; N187-Y337 VanDerWaalsContact CB-CG 3.42Å; N187-Y337 VanDerWaalsContact CG-CE1 3.45Å; N187-Y337 VanDerWaalsContact ND2-CD1 3.32Å; N187-Y337 WeakPolarHBondContact ND2-CD1 3.48Å; N187-Y337 WeakPolarHBondContact OD1-CE1 3.2Å |
| 188 | K | 84.3 | Confident | 91.4 | Very high | 178 Ų | 178 | 44.4 Ų | 44.4 | 77% | 0.774 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -61.6 | -39.4 | 175.6 | -174.5 | 176.6 | 179.5 | -180 | 0 | 111.9 | P186 V191 R192 | P186-K188 PolarHBondContact O-N 3.07Å; P186-K188 VanDerWaalsContact O-N 3.12Å; K188-V191 PolarHBondContact O-N 3.23Å; K188-R192 WeakPolarHBondContact O-CB 3.4Å; K188-R192 PolarHBondContact O-N 3.38Å |
| 189 | E | 90.8 | Very high | 91.2 | Very high | 63 Ų | 63 | 47.6 Ų | 47.6 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.2 | -41.7 | 178.9 | -177.1 | 58.1 | -167.7 | 0 | 0 | 111.1 | L185 P186 N187 V191 R192 I193 | L185-E189 HydrophobicContact CD1-CB 4.43Å; L185-E189 HydrophobicContact CD1-CG 4.05Å; L185-E189 HydrophobicContact CD2-CG 4.38Å; L185-E189 HydrophobicContact CG-CB 4.36Å; L185-E189 HydrophobicContact CG-CG 4.37Å; P186-E189 WeakPolarHBondContact O-CB 3.5Å; P186-E189 PolarHBondContact O-N 2.92Å; N187-E189 VanDerWaalsContact C-N 3.3Å; N187-E189 PolarHBondContact O-N 2.92Å; E189-V191 VanDerWaalsContact C-N 3.35Å; E189-V191 PolarHBondContact O-N 3.24Å; E189-R192 WeakPolarHBondContact O-CB 3.39Å; E189-R192 PolarHBondContact O-N 3.37Å; E189-R192 IonicContact OE1-CZ 3.59Å; E189-R192 IonicContact OE1-NE 2.9Å; E189-R192 PolarHBondContact OE1-NE 3.44Å; E189-R192 IonicContact OE1-NH2 2.77Å; E189-R192 PolarHBondContact OE1-NH2 3.12Å; E189-R192 IonicContact OE2-CZ 3.66Å; E189-R192 IonicContact OE2-NE 2.79Å; E189-R192 PolarHBondContact OE2-NE 2.94Å; E189-R192 IonicContact OE2-NH2 2.87Å; E189-I193 HydrophobicContact CG-CD1 4.18Å; E189-I193 WeakPolarHBondContact O-CG1 3.35Å; E189-I193 PolarHBondContact O-N 3.17Å |
| 190 | K | 89.1 | Confident | 91 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.2 | -47.9 | 171.5 | -179.1 | 176.8 | 64 | -169.2 | 0 | 112.1 | L185 P186 N187 R192 I193 R194 S214 Y215 | L185-K190 HydrophobicContact CD2-CB 4.23Å; P186-K190 PolarHBondContact O-N 2.89Å; N187-K190 PolarHBondContact O-N 3.26Å; N187-K190 PolarHBondContact OD1-NZ 3.27Å; K190-R192 PolarHBondContact O-N 3.18Å; K190-I193 PolarHBondContact O-N 3.46Å; K190-R194 WeakPolarHBondContact O-CG 3.35Å; K190-R194 PolarHBondContact O-N 3.1Å; K190-S214 WeakPolarHBondContact CD-OG 3.44Å; K190-Y215 PolarHBondContact NZ-OH 3.32Å |
| 191 | V | 87.7 | Confident | 91 | Very high | 45 Ų | 45 | 56.8 Ų | 56.8 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 178.4 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | N187 K188 E189 I193 R194 Q195 Y337 | N187-V191 WeakPolarHBondContact O-CG2 3.28Å; N187-V191 PolarHBondContact O-N 3.38Å; K188-V191 PolarHBondContact O-N 3.23Å; E189-V191 VanDerWaalsContact C-N 3.35Å; E189-V191 PolarHBondContact O-N 3.24Å; V191-I193 VanDerWaalsContact C-N 3.31Å; V191-I193 PolarHBondContact O-N 3.12Å; V191-R194 WeakPolarHBondContact O-CB 3.48Å; V191-R194 PolarHBondContact O-N 3.43Å; V191-Q195 HydrophobicContact CG1-CG 4.4Å; V191-Q195 WeakPolarHBondContact O-CG 3.43Å; V191-Q195 PolarHBondContact O-N 3.21Å; V191-Y337 HydrophobicContact CG2-CE2 4.13Å; V191-Y337 WeakPolarHBondContact CG2-OH 3.16Å |
| 192 | R | 91.6 | Very high | 91.1 | Very high | 112 Ų | 112 | 58.7 Ų | 58.7 | 42% | 0.423 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.2 | -45.6 | 177.1 | -170.9 | -170.3 | 73.1 | 79.2 | 4.1 | 111.3 | K188 E189 K190 Q195 L196 | K188-R192 WeakPolarHBondContact O-CB 3.4Å; K188-R192 PolarHBondContact O-N 3.38Å; E189-R192 WeakPolarHBondContact O-CB 3.39Å; E189-R192 PolarHBondContact O-N 3.37Å; E189-R192 IonicContact OE1-CZ 3.59Å; E189-R192 IonicContact OE1-NE 2.9Å; E189-R192 PolarHBondContact OE1-NE 3.44Å; E189-R192 IonicContact OE1-NH2 2.77Å; E189-R192 PolarHBondContact OE1-NH2 3.12Å; E189-R192 IonicContact OE2-CZ 3.66Å; E189-R192 IonicContact OE2-NE 2.79Å; E189-R192 PolarHBondContact OE2-NE 2.94Å; E189-R192 IonicContact OE2-NH2 2.87Å; K190-R192 PolarHBondContact O-N 3.18Å; R192-Q195 PolarHBondContact O-N 3.37Å; R192-L196 WeakPolarHBondContact O-CG 3.38Å; R192-L196 PolarHBondContact O-N 3.01Å |
| 193 | I | 93.6 | Very high | 91.2 | Very high | 22 Ų | 22 | 61 Ų | 61 | 11% | 0.113 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 178.9 | -65.4 | 169.1 | 0 | 0 | 0 | 111 | E189 K190 V191 Q195 L196 Y197 V202 L207 S210 | E189-I193 HydrophobicContact CG-CD1 4.18Å; E189-I193 WeakPolarHBondContact O-CG1 3.35Å; E189-I193 PolarHBondContact O-N 3.17Å; K190-I193 PolarHBondContact O-N 3.46Å; V191-I193 VanDerWaalsContact C-N 3.31Å; V191-I193 PolarHBondContact O-N 3.12Å; I193-Q195 PolarHBondContact O-N 3.15Å; I193-L196 PolarHBondContact O-N 2.68Å; I193-Y197 WeakPolarHBondContact O-CB 3.4Å; I193-Y197 PolarHBondContact O-N 2.89Å; I193-V202 HydrophobicContact CG2-CG2 4.42Å; I193-L207 HydrophobicContact CG2-CD1 4.29Å; I193-S210 VanDerWaalsContact CD1-CB 3.46Å |
| 194 | R | 91.5 | Very high | 91.3 | Very high | 41 Ų | 41 | 66 Ų | 66 | 16% | 0.155 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 173 | -72.8 | 174.9 | 178.9 | -165.3 | -5.9 | 112.9 | K190 V191 Y197 A198 L207 E211 H488 | K190-R194 WeakPolarHBondContact O-CG 3.35Å; K190-R194 PolarHBondContact O-N 3.1Å; V191-R194 WeakPolarHBondContact O-CB 3.48Å; V191-R194 PolarHBondContact O-N 3.43Å; R194-Y197 PolarHBondContact O-N 3.3Å; R194-A198 PolarHBondContact O-N 3.47Å; R194-L207 HydrophobicContact CG-CD1 3.81Å; R194-E211 IonicContact CZ-OE1 3.33Å; R194-E211 IonicContact CZ-OE2 3.87Å; R194-E211 IonicContact NE-OE1 3.54Å; R194-E211 PolarHBondContact NE-OE1 3.28Å; R194-E211 IonicContact NH2-OE1 3.52Å; R194-E211 PolarHBondContact NH2-OE1 3.04Å; R194-E211 IonicContact NH2-OE2 3.52Å; R194-E211 PolarHBondContact NH2-OE2 3.21Å; R194-H488 PolarHBondContact NH1-CE1 3.26Å; R194-H488 VanDerWaalsContact NH1-CE1 3.27Å; R194-H488 PolarHBondContact NH1-NE2 3.45Å |
| 195 | Q | 91.1 | Very high | 91.5 | Very high | 35 Ų | 35 | 70.2 Ų | 70.2 | 16% | 0.164 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 177.1 | -71.5 | 179.8 | -54.9 | 0 | 0 | 111.2 | V191 R192 I193 Y197 A198 E199 V496 D499 | V191-Q195 HydrophobicContact CG1-CG 4.4Å; V191-Q195 WeakPolarHBondContact O-CG 3.43Å; V191-Q195 PolarHBondContact O-N 3.21Å; R192-Q195 PolarHBondContact O-N 3.37Å; I193-Q195 PolarHBondContact O-N 3.15Å; Q195-Y197 PolarHBondContact O-N 3.17Å; Q195-A198 PolarHBondContact O-N 2.97Å; Q195-A198 VanDerWaalsContact O-N 3.15Å; Q195-E199 WeakPolarHBondContact O-CG 3.27Å; Q195-E199 PolarHBondContact O-N 3.16Å; Q195-V496 HydrophobicContact CB-CG2 4.24Å; Q195-V496 HydrophobicContact CG-CG2 4.26Å; Q195-D499 PolarHBondContact NE2-OD2 3.48Å |
| 196 | L | 94.1 | Very high | 91.7 | Very high | 35 Ų | 35 | 70 Ų | 70 | 18% | 0.183 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.7 | -36.4 | 175.1 | -71.8 | -179.9 | 0 | 0 | 0 | 112.4 | R192 I193 E199 G200 K201 V202 | R192-L196 WeakPolarHBondContact O-CG 3.38Å; R192-L196 PolarHBondContact O-N 3.01Å; I193-L196 PolarHBondContact O-N 2.68Å; L196-E199 CarbonylContact O-C 3.42Å; L196-E199 PolarHBondContact O-N 3.46Å; L196-G200 PolarHBondContact O-N 2.93Å; L196-K201 HydrophobicContact CB-CB 4.28Å; L196-K201 HydrophobicContact CD2-CB 4.06Å; L196-K201 HydrophobicContact CD2-CD 3.61Å; L196-K201 HydrophobicContact CD2-CG 4.49Å; L196-K201 PolarHBondContact O-N 3.38Å; L196-V202 HydrophobicContact CB-CG1 3.98Å; L196-V202 HydrophobicContact CB-CG2 3.87Å; L196-V202 HydrophobicContact CD1-CG1 4.05Å |
| 197 | Y | 93.1 | Very high | 92 | Very high | 101 Ų | 101 | 67.3 Ų | 67.3 | 40% | 0.396 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 176 | -179.7 | -101.4 | 0 | 0 | 0 | 111.1 | I193 R194 Q195 E199 G200 V202 R204 L207 | I193-Y197 WeakPolarHBondContact O-CB 3.4Å; I193-Y197 PolarHBondContact O-N 2.89Å; R194-Y197 PolarHBondContact O-N 3.3Å; Q195-Y197 PolarHBondContact O-N 3.17Å; Y197-E199 PolarHBondContact O-N 3.13Å; Y197-G200 PolarHBondContact O-N 3.26Å; Y197-V202 HydrophobicContact CD2-CG2 4.45Å; Y197-V202 WeakPolarHBondContact CD2-O 3.34Å; Y197-R204 HydrophobicContact CE2-CB 4.21Å; Y197-L207 HydrophobicContact CD1-CD2 3.58Å; Y197-L207 HydrophobicContact CD2-CB 4.19Å; Y197-L207 HydrophobicContact CD2-CD2 4.12Å; Y197-L207 HydrophobicContact CE1-CD2 3.85Å; Y197-L207 HydrophobicContact CE2-CD2 4.39Å; Y197-L207 HydrophobicContact CG-CB 4.32Å; Y197-L207 HydrophobicContact CG-CD2 3.72Å; Y197-L207 HydrophobicContact CG-CG 4.5Å |
| 198 | A | 88.6 | Confident | 92.6 | Very high | 16 Ų | 16 | 71 Ų | 71 | 13% | 0.132 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62 | -29.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R194 Q195 G200 M458 P492 | R194-A198 PolarHBondContact O-N 3.47Å; Q195-A198 PolarHBondContact O-N 2.97Å; Q195-A198 VanDerWaalsContact O-N 3.15Å; A198-G200 VanDerWaalsContact C-N 3.29Å; A198-M458 HydrophobicContact CB-CE 4.08Å; A198-M458 WeakPolarHBondContact O-CE 3.42Å; A198-P492 HydrophobicContact CB-CB 4.17Å |
| 199 | E | 91.1 | Very high | 93.1 | Very high | 66 Ų | 66 | 68.8 Ų | 68.8 | 31% | 0.308 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -0.1 | 172.5 | -65.5 | -177.4 | 107.2 | 0 | 0 | 113.9 | Q195 L196 Y197 K201 V496 | Q195-E199 WeakPolarHBondContact O-CG 3.27Å; Q195-E199 PolarHBondContact O-N 3.16Å; L196-E199 CarbonylContact O-C 3.42Å; L196-E199 PolarHBondContact O-N 3.46Å; Y197-E199 PolarHBondContact O-N 3.13Å; E199-K201 VanDerWaalsContact C-N 3.26Å; E199-K201 HydrophobicContact CB-CD 4.02Å; E199-K201 HydrophobicContact CB-CG 4.05Å; E199-K201 PolarHBondContact O-N 2.79Å; E199-K201 IonicContact OE1-NZ 3.47Å; E199-K201 PolarHBondContact OE1-NZ 3.25Å; E199-K201 WeakPolarHBondContact OE2-CE 3.42Å; E199-K201 IonicContact OE2-NZ 2.8Å; E199-K201 PolarHBondContact OE2-NZ 3.48Å; E199-V496 HydrophobicContact CG-CG1 4.4Å; E199-V496 HydrophobicContact CG-CG2 4.28Å |
| 200 | G | 92.4 | Very high | 93.3 | Very high | 64 Ų | 64 | 66.1 Ų | 66.1 | 66% | 0.66 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 15.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | L196 Y197 A198 | L196-G200 PolarHBondContact O-N 2.93Å; Y197-G200 PolarHBondContact O-N 3.26Å; A198-G200 VanDerWaalsContact C-N 3.29Å |
| 201 | K | 95.7 | Very high | 93.4 | Very high | 130 Ų | 130 | 67.5 Ų | 67.5 | 57% | 0.565 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -89 | -16.2 | -175.9 | -66.4 | 174.3 | -174 | 161 | 0 | 114.2 | L196 E199 | L196-K201 HydrophobicContact CB-CB 4.28Å; L196-K201 HydrophobicContact CD2-CB 4.06Å; L196-K201 HydrophobicContact CD2-CD 3.61Å; L196-K201 HydrophobicContact CD2-CG 4.49Å; L196-K201 PolarHBondContact O-N 3.38Å; E199-K201 VanDerWaalsContact C-N 3.26Å; E199-K201 HydrophobicContact CB-CD 4.02Å; E199-K201 HydrophobicContact CB-CG 4.05Å; E199-K201 PolarHBondContact O-N 2.79Å; E199-K201 IonicContact OE1-NZ 3.47Å; E199-K201 PolarHBondContact OE1-NZ 3.25Å; E199-K201 WeakPolarHBondContact OE2-CE 3.42Å; E199-K201 IonicContact OE2-NZ 2.8Å; E199-K201 PolarHBondContact OE2-NZ 3.48Å |
| 202 | V | 96.6 | Very high | 93.7 | Very high | 41 Ų | 41 | 67.7 Ų | 67.7 | 25% | 0.248 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -130.8 | 154.4 | 171.9 | -62.4 | 0 | 0 | 0 | 0 | 109.5 | I193 L196 Y197 A206 | I193-V202 HydrophobicContact CG2-CG2 4.42Å; L196-V202 HydrophobicContact CB-CG1 3.98Å; L196-V202 HydrophobicContact CB-CG2 3.87Å; L196-V202 HydrophobicContact CD1-CG1 4.05Å; Y197-V202 HydrophobicContact CD2-CG2 4.45Å; Y197-V202 WeakPolarHBondContact CD2-O 3.34Å; V202-A206 HydrophobicContact CB-CB 4.1Å |
| 203 | D | 96.7 | Very high | 93.7 | Very high | 98 Ų | 98 | 64.2 Ų | 64.2 | 52% | 0.524 | 34% | 0.34 | S | S | . | . | trans | -85 | 176.3 | 179.7 | 71.5 | 18.2 | 0 | 0 | 0 | 112.7 | M205 A206 L207 | D203-M205 VanDerWaalsContact C-N 3.26Å; D203-M205 PolarHBondContact O-N 3.26Å; D203-M205 WeakPolarHBondContact OD1-CA 3.49Å; D203-M205 WeakPolarHBondContact OD1-CB 3.36Å; D203-M205 PolarHBondContact OD1-N 3.04Å; D203-A206 PolarHBondContact O-N 3.35Å; D203-A206 PolarHBondContact OD1-N 3.38Å; D203-L207 PolarHBondContact O-N 2.93Å | ||
| 204 | R | 95.4 | Very high | 93.6 | Very high | 168 Ų | 168 | 63.4 Ų | 63.4 | 63% | 0.634 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.1 | -29.9 | 179 | -176.7 | 177.8 | 177.3 | -85.4 | -0.4 | 112.6 | Y197 L208 | Y197-R204 HydrophobicContact CE2-CB 4.21Å; R204-L208 WeakPolarHBondContact O-CB 3.35Å; R204-L208 PolarHBondContact O-N 3.02Å |
| 205 | M | 96.2 | Very high | 93.5 | Very high | 115 Ų | 115 | 65.3 Ų | 65.3 | 57% | 0.567 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -72.5 | -43 | -178.6 | -73.3 | -56.7 | -57.1 | 0 | 0 | 111.1 | D203 L207 L208 E209 | D203-M205 VanDerWaalsContact C-N 3.26Å; D203-M205 PolarHBondContact O-N 3.26Å; D203-M205 WeakPolarHBondContact OD1-CA 3.49Å; D203-M205 WeakPolarHBondContact OD1-CB 3.36Å; D203-M205 PolarHBondContact OD1-N 3.04Å; M205-L207 VanDerWaalsContact C-N 3.31Å; M205-L207 PolarHBondContact O-N 3.44Å; M205-L208 PolarHBondContact O-N 2.9Å; M205-E209 PolarHBondContact O-N 3.26Å |
| 206 | A | 95.1 | Very high | 93.5 | Very high | 41 Ų | 41 | 67.9 Ų | 67.9 | 34% | 0.339 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | V202 D203 S210 | V202-A206 HydrophobicContact CB-CB 4.1Å; D203-A206 PolarHBondContact O-N 3.35Å; D203-A206 PolarHBondContact OD1-N 3.38Å; A206-S210 PolarHBondContact O-N 2.82Å |
| 207 | L | 94 | Very high | 93.5 | Very high | 32 Ų | 32 | 67.8 Ų | 67.8 | 17% | 0.168 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 173.6 | 178.9 | 62.7 | 0 | 0 | 0 | 111.1 | I193 R194 Y197 D203 M205 E209 S210 E211 | I193-L207 HydrophobicContact CG2-CD1 4.29Å; R194-L207 HydrophobicContact CG-CD1 3.81Å; Y197-L207 HydrophobicContact CD1-CD2 3.58Å; Y197-L207 HydrophobicContact CD2-CB 4.19Å; Y197-L207 HydrophobicContact CD2-CD2 4.12Å; Y197-L207 HydrophobicContact CE1-CD2 3.85Å; Y197-L207 HydrophobicContact CE2-CD2 4.39Å; Y197-L207 HydrophobicContact CG-CB 4.32Å; Y197-L207 HydrophobicContact CG-CD2 3.72Å; Y197-L207 HydrophobicContact CG-CG 4.5Å; D203-L207 PolarHBondContact O-N 2.93Å; M205-L207 VanDerWaalsContact C-N 3.31Å; M205-L207 PolarHBondContact O-N 3.44Å; L207-E209 PolarHBondContact O-N 3Å; L207-S210 PolarHBondContact O-N 3.38Å; L207-S210 PolarHBondContact O-OG 3.15Å; L207-E211 HydrophobicContact CD1-CG 4.45Å; L207-E211 WeakPolarHBondContact O-CG 3.33Å; L207-E211 PolarHBondContact O-N 2.84Å; L207-E211 VanDerWaalsContact O-N 3.1Å |
| 208 | L | 95.3 | Very high | 93.6 | Very high | 85 Ų | 85 | 66 Ų | 66 | 45% | 0.445 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | -179 | 179.9 | 60.8 | 0 | 0 | 0 | 112.5 | R204 M205 S210 E211 A212 | R204-L208 WeakPolarHBondContact O-CB 3.35Å; R204-L208 PolarHBondContact O-N 3.02Å; M205-L208 PolarHBondContact O-N 2.9Å; L208-S210 VanDerWaalsContact C-N 3.28Å; L208-S210 PolarHBondContact O-N 3.37Å; L208-E211 PolarHBondContact O-N 3.4Å; L208-A212 WeakPolarHBondContact O-CB 3.34Å; L208-A212 PolarHBondContact O-N 2.98Å |
| 209 | E | 95.7 | Very high | 93.9 | Very high | 131 Ų | 131 | 65.2 Ų | 65.2 | 61% | 0.612 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -59.7 | -41 | 177.8 | -169.7 | 62.5 | -149 | 0 | 0 | 111.2 | M205 L207 E211 A212 A213 | M205-E209 PolarHBondContact O-N 3.26Å; L207-E209 PolarHBondContact O-N 3Å; E209-E211 PolarHBondContact O-N 3.23Å; E209-A212 PolarHBondContact O-N 2.96Å; E209-A213 WeakPolarHBondContact O-CB 3.41Å; E209-A213 PolarHBondContact O-N 2.84Å |
| 210 | S | 94.2 | Very high | 94.1 | Very high | 6 Ų | 6 | 62.1 Ų | 62.1 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 177.2 | 79.7 | 0 | 0 | 0 | 0 | 113.5 | L185 I193 A206 L207 L208 S214 | L185-S210 WeakPolarHBondContact CD2-O 3.32Å; I193-S210 VanDerWaalsContact CD1-CB 3.46Å; A206-S210 PolarHBondContact O-N 2.82Å; L207-S210 PolarHBondContact O-N 3.38Å; L207-S210 PolarHBondContact O-OG 3.15Å; L208-S210 VanDerWaalsContact C-N 3.28Å; L208-S210 PolarHBondContact O-N 3.37Å; S210-S214 PolarHBondContact O-N 2.77Å; S210-S214 PolarHBondContact O-OG 2.9Å |
| 211 | E | 91.8 | Very high | 94 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.9 | -44.3 | 176.1 | -63.1 | -68.9 | 168.3 | 0 | 0 | 110.6 | R194 L207 L208 E209 A213 S214 Y215 | R194-E211 IonicContact CZ-OE1 3.33Å; R194-E211 IonicContact CZ-OE2 3.87Å; R194-E211 IonicContact NE-OE1 3.54Å; R194-E211 PolarHBondContact NE-OE1 3.28Å; R194-E211 IonicContact NH2-OE1 3.52Å; R194-E211 PolarHBondContact NH2-OE1 3.04Å; R194-E211 IonicContact NH2-OE2 3.52Å; R194-E211 PolarHBondContact NH2-OE2 3.21Å; L207-E211 HydrophobicContact CD1-CG 4.45Å; L207-E211 WeakPolarHBondContact O-CG 3.33Å; L207-E211 PolarHBondContact O-N 2.84Å; L207-E211 VanDerWaalsContact O-N 3.1Å; L208-E211 PolarHBondContact O-N 3.4Å; E209-E211 PolarHBondContact O-N 3.23Å; E211-A213 PolarHBondContact O-N 3.12Å; E211-S214 WeakPolarHBondContact O-CA 3.31Å; E211-S214 WeakPolarHBondContact O-CB 3.3Å; E211-S214 PolarHBondContact O-N 2.85Å; E211-Y215 HydrophobicContact CB-CD2 4.5Å; E211-Y215 HydrophobicContact CB-CE2 4.36Å; E211-Y215 WeakPolarHBondContact O-CD2 3.38Å; E211-Y215 PolarHBondContact O-N 3.04Å; E211-Y215 VanDerWaalsContact OE2-CE2 3.23Å; E211-Y215 WeakPolarHBondContact OE2-CE2 3.35Å; E211-Y215 PolarHBondContact OE2-OH 2.64Å |
| 212 | A | 93.1 | Very high | 93.8 | Very high | 50 Ų | 50 | 54.9 Ų | 54.9 | 41% | 0.413 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | L208 E209 S214 Y215 H216 | L208-A212 WeakPolarHBondContact O-CB 3.34Å; L208-A212 PolarHBondContact O-N 2.98Å; E209-A212 PolarHBondContact O-N 2.96Å; A212-S214 PolarHBondContact O-N 3.11Å; A212-Y215 CarbonylContact O-C 3.59Å; A212-Y215 PolarHBondContact O-N 2.84Å; A212-H216 PolarHBondContact O-N 3.13Å |
| 213 | A | 93.3 | Very high | 93.4 | Very high | 38 Ų | 38 | 54.4 Ų | 54.4 | 31% | 0.314 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L185 E209 E211 H216 | L185-A213 HydrophobicContact CB-CB 4.11Å; L185-A213 PolarHBondContact N-O 3.39Å; L185-A213 VanDerWaalsContact N-O 3.12Å; E209-A213 WeakPolarHBondContact O-CB 3.41Å; E209-A213 PolarHBondContact O-N 2.84Å; E211-A213 PolarHBondContact O-N 3.12Å; A213-H216 PolarHBondContact O-CD2 2.85Å |
| 214 | S | 89.7 | Confident | 93.2 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -31 | 174.7 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | K190 S210 E211 A212 | K190-S214 WeakPolarHBondContact CD-OG 3.44Å; S210-S214 PolarHBondContact O-N 2.77Å; S210-S214 PolarHBondContact O-OG 2.9Å; E211-S214 WeakPolarHBondContact O-CA 3.31Å; E211-S214 WeakPolarHBondContact O-CB 3.3Å; E211-S214 PolarHBondContact O-N 2.85Å; A212-S214 PolarHBondContact O-N 3.11Å |
| 215 | Y | 90 | Very high | 92.9 | Very high | 81 Ų | 81 | 41.9 Ų | 41.9 | 32% | 0.318 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -114.6 | 54.2 | -178.1 | -49.2 | -55.7 | 0 | 0 | 0 | 111 | K190 E211 A212 C221 | K190-Y215 PolarHBondContact NZ-OH 3.32Å; E211-Y215 HydrophobicContact CB-CD2 4.5Å; E211-Y215 HydrophobicContact CB-CE2 4.36Å; E211-Y215 WeakPolarHBondContact O-CD2 3.38Å; E211-Y215 PolarHBondContact O-N 3.04Å; E211-Y215 VanDerWaalsContact OE2-CE2 3.23Å; E211-Y215 WeakPolarHBondContact OE2-CE2 3.35Å; E211-Y215 PolarHBondContact OE2-OH 2.64Å; A212-Y215 CarbonylContact O-C 3.59Å; A212-Y215 PolarHBondContact O-N 2.84Å; Y215-C221 HydrophobicContact CE1-CB 4.46Å |
| 216 | H | 91.9 | Very high | 92.7 | Very high | 89 Ų | 89 | 36.8 Ų | 36.8 | 41% | 0.412 | 21% | 0.211 | S | C | . | . | trans | -86.7 | -8.4 | -166.1 | 62.8 | 58.9 | 0 | 0 | 0 | 115.1 | A182 G184 A212 A213 | A182-H216 PolarHBondContact O-NE2 2.84Å; G184-H216 VanDerWaalsContact CA-CD2 3.48Å; G184-H216 WeakPolarHBondContact CA-CD2 3.42Å; G184-H216 VanDerWaalsContact CA-NE2 3.33Å; G184-H216 WeakPolarHBondContact CA-NE2 3.32Å; G184-H216 PolarHBondContact N-NE2 2.86Å; A212-H216 PolarHBondContact O-N 3.13Å; A213-H216 PolarHBondContact O-CD2 2.85Å | ||
| 217 | A | 94.2 | Very high | 92.6 | Very high | 32 Ų | 32 | 35.7 Ų | 35.7 | 26% | 0.264 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -152 | 165.2 | -172 | 0 | 0 | 0 | 0 | 0 | 112.9 | M181 | M181-A217 HydrophobicContact CB-CB 4.31Å; M181-A217 WeakPolarHBondContact CE-O 3.46Å |
| 218 | P | 95.2 | Very high | 92.6 | Very high | 64 Ų | 64 | 34.2 Ų | 34.2 | 42% | 0.416 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -58.2 | 150.9 | 169.2 | -23.2 | 34.5 | 0 | 0 | 0 | 113 | P83 M181 | P83-P218 HydrophobicContact CG-CB 3.94Å; M181-P218 WeakPolarHBondContact CA-O 3.46Å; M181-P218 VanDerWaalsContact CB-O 3.31Å; M181-P218 WeakPolarHBondContact CB-O 3.25Å |
| 219 | G | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 117.8 | 171.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S79 A80 G179 M181 | S79-G219 CarbonylContact C-O 3.1Å; S79-G219 PolarHBondContact O-N 3.39Å; S79-G219 PolarHBondContact OG-O 2.78Å; A80-G219 WeakPolarHBondContact CA-O 3.48Å; A80-G219 PolarHBondContact N-O 3.21Å; G179-G219 CarbonylContact O-C 3.5Å; G179-G219 VanDerWaalsContact O-CA 3.25Å; G179-G219 WeakPolarHBondContact O-CA 3.49Å; M181-G219 VanDerWaalsContact CE-O 3.26Å; M181-G219 WeakPolarHBondContact CE-O 3.32Å |
| 220 | T | 93.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -66.7 | 154.5 | 172.8 | 62 | 0 | 0 | 0 | 0 | 111.1 | A80 V153 G179 P180 M181 A227 N228 Q231 | A80-T220 HydrophobicContact CB-CG2 3.88Å; V153-T220 HydrophobicContact CB-CG2 3.78Å; V153-T220 HydrophobicContact CG2-CG2 3.49Å; V153-T220 VanDerWaalsContact CG2-CG2 3.49Å; G179-T220 PolarHBondContact O-N 3Å; P180-T220 VanDerWaalsContact CA-OG1 3.22Å; P180-T220 WeakPolarHBondContact CA-OG1 3.47Å; M181-T220 WeakPolarHBondContact CG-O 3.39Å; M181-T220 PolarHBondContact N-O 3.23Å; T220-A227 HydrophobicContact CG2-CB 4.5Å; T220-N228 PolarHBondContact OG1-OD1 2.82Å; T220-Q231 PolarHBondContact OG1-NE2 3.05Å |
| 221 | C | 90.1 | Very high | 92.6 | Very high | 32 Ų | 32 | 23.8 Ų | 23.8 | 22% | 0.216 | 14% | 0.143 | C | C | . | . | trans | -54.2 | 150.8 | 172.5 | -52.2 | 0 | 0 | 0 | 0 | 110.7 | Y215 F223 N228 | Y215-C221 HydrophobicContact CE1-CB 4.46Å; C221-F223 HydrophobicContact CB-CD1 3.6Å; C221-F223 HydrophobicContact CB-CE1 3.46Å; C221-F223 VanDerWaalsContact CB-CE1 3.46Å; C221-F223 HydrophobicContact CB-CZ 4.4Å; C221-N228 PolarHBondContact O-ND2 3.31Å | ||
| 222 | T | 91.8 | Very high | 92.8 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 6% | 0.055 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -81.5 | -20.7 | -176.3 | 61.8 | 0 | 0 | 0 | 0 | 113.9 | M181 A182 D343 I344 | M181-T222 HydrophobicContact CG-CG2 3.63Å; M181-T222 WeakPolarHBondContact O-CG2 3.43Å; A182-T222 WeakPolarHBondContact O-CG2 3.27Å; T222-D343 WeakPolarHBondContact O-CB 3.12Å; T222-I344 WeakPolarHBondContact O-CB 3.31Å; T222-I344 WeakPolarHBondContact O-CG2 3.41Å; T222-I344 PolarHBondContact O-N 3.11Å |
| 223 | F | 89.6 | Confident | 93 | Very high | 32 Ų | 32 | 19.8 Ų | 19.8 | 14% | 0.14 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -71.5 | 157.1 | 177.3 | 70.3 | -87.1 | 0 | 0 | 0 | 112.8 | C221 G225 N228 Y337 A515 | C221-F223 HydrophobicContact CB-CD1 3.6Å; C221-F223 HydrophobicContact CB-CE1 3.46Å; C221-F223 VanDerWaalsContact CB-CE1 3.46Å; C221-F223 HydrophobicContact CB-CZ 4.4Å; F223-G225 PolarHBondContact O-N 3.36Å; F223-N228 PolarHBondContact O-ND2 2.8Å; F223-Y337 HydrophobicContact CB-CD1 3.33Å; F223-Y337 HydrophobicContact CB-CE1 3.71Å; F223-Y337 HydrophobicContact CG-CD1 4.31Å; F223-Y337 HydrophobicContact CG-CE1 4.23Å; F223-A515 HydrophobicContact CD2-CB 3.88Å; F223-A515 HydrophobicContact CE2-CB 3.7Å |
| 224 | Y | 91.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -82.2 | 60.7 | 177.3 | -162.5 | -127.1 | 0 | 0 | 0 | 112.5 | N228 M232 T297 L336 Y337 I344 | Y224-N228 HydrophobicContact CD2-CB 3.79Å; Y224-N228 HydrophobicContact CE2-CB 4.21Å; Y224-M232 HydrophobicContact CE2-CB 4.31Å; Y224-M232 HydrophobicContact CE2-CG 3.66Å; Y224-M232 WeakPolarHBondContact OH-CB 3.38Å; Y224-M232 WeakPolarHBondContact OH-CG 3.46Å; Y224-T297 VanDerWaalsContact CE1-CB 3.5Å; Y224-T297 VanDerWaalsContact CE1-O 3.3Å; Y224-T297 WeakPolarHBondContact CE1-O 3.48Å; Y224-T297 WeakPolarHBondContact CE1-OG1 3.26Å; Y224-T297 WeakPolarHBondContact OH-CB 3.49Å; Y224-T297 PolarHBondContact OH-OG1 2.95Å; Y224-L336 HydrophobicContact CD1-CB 4.32Å; Y224-L336 HydrophobicContact CD1-CD1 4.13Å; Y224-L336 HydrophobicContact CD2-CD1 3.83Å; Y224-L336 HydrophobicContact CE2-CD1 4.38Å; Y224-L336 HydrophobicContact CG-CB 4.04Å; Y224-L336 HydrophobicContact CG-CD1 3.73Å; Y224-L336 HydrophobicContact CG-CG 4.48Å; Y224-Y337 WeakPolarHBondContact CA-O 3.41Å; Y224-Y337 WeakPolarHBondContact CB-O 3.35Å; Y224-Y337 PolarHBondContact N-O 3.24Å; Y224-I344 HydrophobicContact CD2-CD1 4.1Å |
| 225 | G | 89.8 | Confident | 93.6 | Very high | 3 Ų | 3 | 18 Ų | 18 | 3% | 0.031 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -83.8 | -173.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F223 A227 N228 T229 | F223-G225 PolarHBondContact O-N 3.36Å; G225-A227 VanDerWaalsContact C-N 3.29Å; G225-A227 PolarHBondContact O-N 3Å; G225-N228 PolarHBondContact O-N 3.07Å; G225-N228 VanDerWaalsContact O-N 3.16Å; G225-T229 PolarHBondContact O-N 3.26Å; G225-T229 PolarHBondContact O-OG1 2.73Å; G225-T229 VanDerWaalsContact O-OG1 3.05Å |
| 226 | T | 91.4 | Very high | 94 | Very high | 7 Ų | 7 | 14.1 Ų | 14.1 | 4% | 0.043 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.4 | -33.8 | -173.4 | -36.6 | 0 | 0 | 0 | 0 | 113.8 | D155 T229 N230 S300 N302 H303 | D155-T226 HydrophobicContact CB-CG2 4.08Å; D155-T226 WeakPolarHBondContact OD1-CG2 3.4Å; D155-T226 WeakPolarHBondContact OD2-CB 3.39Å; D155-T226 VanDerWaalsContact OD2-CG2 3.22Å; D155-T226 WeakPolarHBondContact OD2-CG2 3.44Å; D155-T226 PolarHBondContact OD2-OG1 3.49Å; T226-T229 PolarHBondContact O-N 3.32Å; T226-N230 WeakPolarHBondContact O-CB 2.9Å; T226-N230 PolarHBondContact O-N 3.01Å; T226-N230 PolarHBondContact O-ND2 3.38Å; T226-S300 WeakPolarHBondContact OG1-CB 3.2Å; T226-S300 PolarHBondContact OG1-OG 3.08Å; T226-N302 HydrophobicContact CG2-CB 3.85Å; T226-N302 PolarHBondContact OG1-ND2 3.17Å; T226-H303 VanDerWaalsContact CG2-CE1 3.46Å; T226-H303 WeakPolarHBondContact CG2-CE1 3.22Å |
| 227 | A | 92.8 | Very high | 94.3 | Very high | 18 Ų | 18 | 10.1 Ų | 10.1 | 15% | 0.149 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.3 | -46.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | T220 G225 N230 Q231 | T220-A227 HydrophobicContact CG2-CB 4.5Å; G225-A227 VanDerWaalsContact C-N 3.29Å; G225-A227 PolarHBondContact O-N 3Å; A227-N230 WeakPolarHBondContact O-CB 3.27Å; A227-N230 PolarHBondContact O-N 3.37Å; A227-Q231 WeakPolarHBondContact O-CG 3.44Å; A227-Q231 PolarHBondContact O-N 3.11Å; A227-Q231 VanDerWaalsContact O-N 3.16Å |
| 228 | N | 94.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 8.6 Ų | 8.6 | 1% | 0.011 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -76.1 | -29 | 177.1 | -70.2 | -22 | 0 | 0 | 0 | 112.5 | T220 C221 F223 Y224 G225 N230 Q231 M232 I344 | T220-N228 PolarHBondContact OG1-OD1 2.82Å; C221-N228 PolarHBondContact O-ND2 3.31Å; F223-N228 PolarHBondContact O-ND2 2.8Å; Y224-N228 HydrophobicContact CD2-CB 3.79Å; Y224-N228 HydrophobicContact CE2-CB 4.21Å; G225-N228 PolarHBondContact O-N 3.07Å; G225-N228 VanDerWaalsContact O-N 3.16Å; N228-N230 VanDerWaalsContact C-N 3.33Å; N228-Q231 PolarHBondContact O-N 3.47Å; N228-Q231 PolarHBondContact OD1-NE2 2.9Å; N228-M232 PolarHBondContact O-N 2.86Å; N228-I344 HydrophobicContact CB-CD1 4.42Å; N228-I344 HydrophobicContact CB-CG1 4.41Å |
| 229 | T | 95 | Very high | 94.7 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 168.2 | -52.5 | 0 | 0 | 0 | 0 | 111 | G225 T226 Q231 M232 V233 L294 S300 H303 | G225-T229 PolarHBondContact O-N 3.26Å; G225-T229 PolarHBondContact O-OG1 2.73Å; G225-T229 VanDerWaalsContact O-OG1 3.05Å; T226-T229 PolarHBondContact O-N 3.32Å; T229-Q231 VanDerWaalsContact C-N 3.35Å; T229-Q231 PolarHBondContact O-N 3.32Å; T229-M232 WeakPolarHBondContact O-CB 3.49Å; T229-M232 PolarHBondContact O-N 3.38Å; T229-V233 HydrophobicContact CG2-CG2 4.08Å; T229-V233 WeakPolarHBondContact O-CB 3.41Å; T229-V233 VanDerWaalsContact O-CG2 3.24Å; T229-V233 WeakPolarHBondContact O-CG2 3.29Å; T229-V233 PolarHBondContact O-N 2.99Å; T229-L294 HydrophobicContact CG2-CD1 3.64Å; T229-S300 PolarHBondContact OG1-N 3.3Å; T229-S300 VanDerWaalsContact OG1-N 3.09Å; T229-H303 VanDerWaalsContact CB-CE1 3.48Å; T229-H303 WeakPolarHBondContact CB-CE1 3.08Å; T229-H303 VanDerWaalsContact CG2-CE1 3.41Å; T229-H303 WeakPolarHBondContact CG2-CE1 3.45Å |
| 230 | N | 95 | Very high | 94.9 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -58 | -48.3 | 175.4 | -83.1 | -33.7 | 0 | 0 | 0 | 110.6 | C154 D155 V158 T226 A227 N228 M232 V233 V234 H303 | C154-N230 PolarHBondContact O-ND2 3.25Å; D155-N230 WeakPolarHBondContact CA-ND2 3.43Å; D155-N230 PolarHBondContact O-ND2 2.79Å; V158-N230 HydrophobicContact CB-CB 3.96Å; V158-N230 HydrophobicContact CG1-CB 4.01Å; V158-N230 HydrophobicContact CG2-CB 4.08Å; T226-N230 WeakPolarHBondContact O-CB 2.9Å; T226-N230 PolarHBondContact O-N 3.01Å; T226-N230 PolarHBondContact O-ND2 3.38Å; A227-N230 WeakPolarHBondContact O-CB 3.27Å; A227-N230 PolarHBondContact O-N 3.37Å; N228-N230 VanDerWaalsContact C-N 3.33Å; N230-M232 PolarHBondContact O-N 2.78Å; N230-V233 PolarHBondContact O-N 2.97Å; N230-V234 VanDerWaalsContact O-CB 3.32Å; N230-V234 WeakPolarHBondContact O-CB 3.45Å; N230-V234 VanDerWaalsContact O-CG2 3.26Å; N230-V234 WeakPolarHBondContact O-CG2 3.49Å; N230-V234 PolarHBondContact O-N 3.27Å; N230-H303 WeakPolarHBondContact CA-NE2 3.46Å; N230-H303 PolarHBondContact N-NE2 3.25Å; N230-H303 PolarHBondContact OD1-CE1 3.19Å; N230-H303 PolarHBondContact OD1-NE2 3.13Å |
| 231 | Q | 95.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 6.3 Ų | 6.3 | 1% | 0.009 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -58.3 | -48.5 | 179.1 | -68 | -171.8 | 105.7 | 0 | 0 | 111.6 | V153 T220 A227 N228 T229 V233 E235 S245 F246 | V153-Q231 HydrophobicContact CG1-CG 4.32Å; T220-Q231 PolarHBondContact OG1-NE2 3.05Å; A227-Q231 WeakPolarHBondContact O-CG 3.44Å; A227-Q231 PolarHBondContact O-N 3.11Å; A227-Q231 VanDerWaalsContact O-N 3.16Å; N228-Q231 PolarHBondContact O-N 3.47Å; N228-Q231 PolarHBondContact OD1-NE2 2.9Å; T229-Q231 VanDerWaalsContact C-N 3.35Å; T229-Q231 PolarHBondContact O-N 3.32Å; Q231-V233 PolarHBondContact O-N 3.17Å; Q231-E235 WeakPolarHBondContact O-CB 3.46Å; Q231-E235 PolarHBondContact O-N 3.22Å; Q231-S245 PolarHBondContact O-OG 3.17Å; Q231-S245 VanDerWaalsContact O-OG 3.12Å; Q231-S245 PolarHBondContact OE1-O 3.16Å; Q231-S245 VanDerWaalsContact OE1-O 3.09Å; Q231-F246 HydrophobicContact CB-CE1 4.06Å; Q231-F246 HydrophobicContact CB-CZ 4.22Å |
| 232 | M | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -55.3 | -50.3 | 173.1 | -85.4 | -60.5 | -50.5 | 0 | 0 | 112.7 | Y224 N228 T229 N230 E235 F236 F246 T297 F347 V353 L356 | Y224-M232 HydrophobicContact CE2-CB 4.31Å; Y224-M232 HydrophobicContact CE2-CG 3.66Å; Y224-M232 WeakPolarHBondContact OH-CB 3.38Å; Y224-M232 WeakPolarHBondContact OH-CG 3.46Å; N228-M232 PolarHBondContact O-N 2.86Å; T229-M232 WeakPolarHBondContact O-CB 3.49Å; T229-M232 PolarHBondContact O-N 3.38Å; N230-M232 PolarHBondContact O-N 2.78Å; M232-E235 PolarHBondContact O-N 2.79Å; M232-F236 HydrophobicContact CE-CD2 3.82Å; M232-F236 HydrophobicContact CE-CE2 3.3Å; M232-F236 HydrophobicContact CE-CZ 4.02Å; M232-F236 WeakPolarHBondContact O-CD2 3.41Å; M232-F236 PolarHBondContact O-N 3.31Å; M232-F246 HydrophobicContact CG-CE2 4.23Å; M232-F246 HydrophobicContact CG-CZ 3.81Å; M232-F246 HydrophobicContact SD-CE2 3.64Å; M232-F246 HydrophobicContact SD-CZ 3.87Å; M232-T297 HydrophobicContact CE-CG2 3.79Å; M232-F347 HydrophobicContact SD-CE1 3.77Å; M232-F347 HydrophobicContact SD-CZ 4.01Å; M232-V353 HydrophobicContact CE-CG2 4.12Å; M232-V353 HydrophobicContact SD-CG2 3.6Å; M232-V353 VanDerWaalsContact SD-CG2 3.6Å; M232-L356 HydrophobicContact CE-CD1 3.97Å |
| 233 | V | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -66.7 | -45.5 | -174.7 | 166.6 | 0 | 0 | 0 | 0 | 111 | T229 N230 Q231 E235 F236 M237 A293 L294 L307 | T229-V233 HydrophobicContact CG2-CG2 4.08Å; T229-V233 WeakPolarHBondContact O-CB 3.41Å; T229-V233 VanDerWaalsContact O-CG2 3.24Å; T229-V233 WeakPolarHBondContact O-CG2 3.29Å; T229-V233 PolarHBondContact O-N 2.99Å; N230-V233 PolarHBondContact O-N 2.97Å; Q231-V233 PolarHBondContact O-N 3.17Å; V233-E235 VanDerWaalsContact C-N 3.29Å; V233-E235 PolarHBondContact O-N 2.83Å; V233-F236 PolarHBondContact O-N 3.15Å; V233-M237 HydrophobicContact CG1-CG 4.36Å; V233-M237 HydrophobicContact CG1-SD 3.74Å; V233-M237 WeakPolarHBondContact O-CB 3.19Å; V233-M237 VanDerWaalsContact O-CG 3.22Å; V233-M237 WeakPolarHBondContact O-CG 3.39Å; V233-M237 PolarHBondContact O-N 3.18Å; V233-A293 HydrophobicContact CG2-CB 4.32Å; V233-L294 HydrophobicContact CG2-CB 4.33Å; V233-L307 HydrophobicContact CG1-CD2 3.93Å |
| 234 | V | 97.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 3.4 Ų | 3.4 | 2% | 0.024 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -64.1 | -35.4 | 178.4 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | V158 F175 N230 M237 G238 M239 Q240 | V158-V234 HydrophobicContact CG1-CG2 3.44Å; V158-V234 VanDerWaalsContact CG1-CG2 3.44Å; F175-V234 HydrophobicContact CB-CG1 3.96Å; F175-V234 HydrophobicContact CD1-CG1 4.49Å; F175-V234 HydrophobicContact CG-CG1 4.17Å; N230-V234 VanDerWaalsContact O-CB 3.32Å; N230-V234 WeakPolarHBondContact O-CB 3.45Å; N230-V234 VanDerWaalsContact O-CG2 3.26Å; N230-V234 WeakPolarHBondContact O-CG2 3.49Å; N230-V234 PolarHBondContact O-N 3.27Å; V234-M237 PolarHBondContact O-N 3.39Å; V234-G238 PolarHBondContact O-N 3.49Å; V234-M239 HydrophobicContact CG1-CB 3.55Å; V234-M239 PolarHBondContact O-N 3.36Å; V234-Q240 HydrophobicContact CG1-CB 4.34Å; V234-Q240 HydrophobicContact CG1-CG 4.05Å |
| 235 | E | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 3.4 Ų | 3.4 | 1% | 0.005 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -67.2 | -44.4 | 174.1 | -166.4 | 161.6 | 167 | 0 | 0 | 112 | Q231 M232 V233 M237 G238 Q240 G243 S245 V353 Y381 | Q231-E235 WeakPolarHBondContact O-CB 3.46Å; Q231-E235 PolarHBondContact O-N 3.22Å; M232-E235 PolarHBondContact O-N 2.79Å; V233-E235 VanDerWaalsContact C-N 3.29Å; V233-E235 PolarHBondContact O-N 2.83Å; E235-M237 VanDerWaalsContact C-N 3.28Å; E235-M237 PolarHBondContact O-N 3.46Å; E235-G238 WeakPolarHBondContact O-CA 3.26Å; E235-G238 PolarHBondContact O-N 3.13Å; E235-Q240 HydrophobicContact CB-CG 4.05Å; E235-Q240 HydrophobicContact CG-CG 4.32Å; E235-Q240 PolarHBondContact OE2-NE2 3.04Å; E235-G243 VanDerWaalsContact OE1-CA 3.22Å; E235-G243 WeakPolarHBondContact OE1-CA 3.37Å; E235-G243 PolarHBondContact OE1-N 2.94Å; E235-S245 WeakPolarHBondContact OE2-CB 3.31Å; E235-S245 PolarHBondContact OE2-N 2.7Å; E235-S245 PolarHBondContact OE2-OG 3.03Å; E235-V353 HydrophobicContact CG-CG1 4.19Å; E235-Y381 HydrophobicContact CG-CD1 3.61Å; E235-Y381 HydrophobicContact CG-CE1 3.82Å; E235-Y381 WeakPolarHBondContact O-CD1 3.24Å; E235-Y381 VanDerWaalsContact O-CE1 3.23Å; E235-Y381 WeakPolarHBondContact O-CE1 2.93Å |
| 236 | F | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 3.6 Ų | 3.6 | 0% | 0.004 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -67.3 | -28 | 174.5 | -89.8 | -121.8 | 0 | 0 | 0 | 113.6 | M232 V233 G238 A293 V353 L356 V357 L360 L366 L378 | M232-F236 HydrophobicContact CE-CD2 3.82Å; M232-F236 HydrophobicContact CE-CE2 3.3Å; M232-F236 HydrophobicContact CE-CZ 4.02Å; M232-F236 WeakPolarHBondContact O-CD2 3.41Å; M232-F236 PolarHBondContact O-N 3.31Å; V233-F236 PolarHBondContact O-N 3.15Å; F236-G238 PolarHBondContact O-N 3.12Å; F236-A293 HydrophobicContact CB-CB 3.55Å; F236-A293 HydrophobicContact CD1-CB 3.4Å; F236-A293 HydrophobicContact CD2-CB 4.05Å; F236-A293 HydrophobicContact CE1-CB 4.03Å; F236-A293 HydrophobicContact CG-CB 3.4Å; F236-V353 HydrophobicContact CD2-CG1 4.39Å; F236-V353 HydrophobicContact CE2-CG1 3.9Å; F236-L356 HydrophobicContact CZ-CB 4Å; F236-V357 HydrophobicContact CD2-CG2 4.22Å; F236-V357 HydrophobicContact CE1-CG2 4.05Å; F236-V357 HydrophobicContact CE2-CG2 3.62Å; F236-V357 HydrophobicContact CZ-CG2 3.52Å; F236-L360 HydrophobicContact CE1-CD1 3.7Å; F236-L360 HydrophobicContact CZ-CD1 4.21Å; F236-L366 HydrophobicContact CD1-CD1 4.14Å; F236-L366 HydrophobicContact CD1-CD2 3.93Å; F236-L366 HydrophobicContact CE1-CD1 3.82Å; F236-L366 HydrophobicContact CE1-CD2 4.22Å; F236-L378 WeakPolarHBondContact O-CD1 3.33Å |
| 237 | M | 98.7 | Very high | 97.1 | Very high | 5 Ų | 5 | 4.1 Ų | 4.1 | 3% | 0.025 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -2.7 | 171.5 | -70.7 | 177.4 | 69.2 | 0 | 0 | 112.5 | V233 V234 E235 M239 I282 V286 L307 | V233-M237 HydrophobicContact CG1-CG 4.36Å; V233-M237 HydrophobicContact CG1-SD 3.74Å; V233-M237 WeakPolarHBondContact O-CB 3.19Å; V233-M237 VanDerWaalsContact O-CG 3.22Å; V233-M237 WeakPolarHBondContact O-CG 3.39Å; V233-M237 PolarHBondContact O-N 3.18Å; V234-M237 PolarHBondContact O-N 3.39Å; E235-M237 VanDerWaalsContact C-N 3.28Å; E235-M237 PolarHBondContact O-N 3.46Å; M237-M239 VanDerWaalsContact C-N 3.31Å; M237-M239 HydrophobicContact CB-CG 4.1Å; M237-M239 HydrophobicContact CB-SD 4.03Å; M237-M239 HydrophobicContact CE-SD 3.92Å; M237-M239 PolarHBondContact O-N 3.22Å; M237-M239 HydrophobicContact SD-SD 4.39Å; M237-I282 HydrophobicContact CE-CD1 4.18Å; M237-I282 HydrophobicContact CE-CG2 4.34Å; M237-V286 HydrophobicContact CB-CG1 3.75Å; M237-V286 HydrophobicContact CE-CG1 4.22Å; M237-V286 HydrophobicContact CG-CG1 4.04Å; M237-V286 VanDerWaalsContact O-CG1 3.25Å; M237-V286 WeakPolarHBondContact O-CG1 3.44Å; M237-L307 HydrophobicContact SD-CD2 4.11Å |
| 238 | G | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 25.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | V234 E235 F236 V373 Y381 | V234-G238 PolarHBondContact O-N 3.49Å; E235-G238 WeakPolarHBondContact O-CA 3.26Å; E235-G238 PolarHBondContact O-N 3.13Å; F236-G238 PolarHBondContact O-N 3.12Å; G238-V373 WeakPolarHBondContact O-CG1 3.19Å; G238-V373 WeakPolarHBondContact O-CG2 3.27Å; G238-V373 PolarHBondContact O-N 3.1Å; G238-Y381 WeakPolarHBondContact CA-OH 3.44Å; G238-Y381 PolarHBondContact O-OH 2.98Å |
| 239 | M | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | trans | -93 | -8.5 | -173.1 | -71.9 | 174.9 | 60.6 | 0 | 0 | 114.4 | T162 F175 V234 M237 I278 M281 I282 | T162-M239 HydrophobicContact CG2-CE 3.92Å; F175-M239 HydrophobicContact CD2-CB 4.27Å; F175-M239 HydrophobicContact CD2-CE 3.5Å; F175-M239 VanDerWaalsContact CD2-CE 3.5Å; F175-M239 HydrophobicContact CE1-CE 4.38Å; F175-M239 HydrophobicContact CE2-CE 3.17Å; F175-M239 HydrophobicContact CG-CE 4.26Å; F175-M239 HydrophobicContact CZ-CE 3.67Å; F175-M239 PolarHBondContact N-O 2.96Å; V234-M239 HydrophobicContact CG1-CB 3.55Å; V234-M239 PolarHBondContact O-N 3.36Å; M237-M239 VanDerWaalsContact C-N 3.31Å; M237-M239 HydrophobicContact CB-CG 4.1Å; M237-M239 HydrophobicContact CB-SD 4.03Å; M237-M239 HydrophobicContact CE-SD 3.92Å; M237-M239 PolarHBondContact O-N 3.22Å; M237-M239 HydrophobicContact SD-SD 4.39Å; M239-I278 HydrophobicContact CE-CD1 4.01Å; M239-M281 HydrophobicContact CB-CE 4.34Å; M239-M281 HydrophobicContact CG-CE 3.72Å; M239-I282 HydrophobicContact CG-CD1 3.65Å; M239-I282 HydrophobicContact SD-CD1 3.75Å | ||
| 240 | Q | 98.4 | Very high | 97.3 | Very high | 5 Ų | 5 | 14 Ų | 14 | 2% | 0.023 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -137.6 | 162.6 | 178.6 | 60.3 | 178 | 56.6 | 0 | 0 | 109.6 | F175 V234 E235 S244 S245 V373 Y381 | F175-Q240 HydrophobicContact CB-CB 4.25Å; F175-Q240 VanDerWaalsContact O-CB 3.26Å; F175-Q240 WeakPolarHBondContact O-CB 3.16Å; V234-Q240 HydrophobicContact CG1-CB 4.34Å; V234-Q240 HydrophobicContact CG1-CG 4.05Å; E235-Q240 HydrophobicContact CB-CG 4.05Å; E235-Q240 HydrophobicContact CG-CG 4.32Å; E235-Q240 PolarHBondContact OE2-NE2 3.04Å; Q240-S244 PolarHBondContact NE2-OG 2.88Å; Q240-S245 PolarHBondContact NE2-OG 3.14Å; Q240-V373 VanDerWaalsContact O-CG2 3.3Å; Q240-V373 WeakPolarHBondContact O-CG2 3.38Å; Q240-Y381 VanDerWaalsContact O-CE1 3.32Å; Q240-Y381 WeakPolarHBondContact O-CE1 3.4Å; Q240-Y381 PolarHBondContact O-OH 3.26Å |
| 241 | L | 98.6 | Very high | 97.4 | Very high | 10 Ų | 10 | 15.7 Ų | 15.7 | 5% | 0.052 | 9% | 0.087 | C | C | . | . | trans | -62.4 | 146.7 | -176.3 | -68.3 | 176.5 | 0 | 0 | 0 | 112.4 | G243 S244 L257 A260 A261 Q264 V373 W394 | L241-G243 PolarHBondContact O-N 2.79Å; L241-S244 PolarHBondContact N-OG 2.83Å; L241-S244 WeakPolarHBondContact O-CB 3.48Å; L241-S244 PolarHBondContact O-N 2.94Å; L241-S244 VanDerWaalsContact O-N 3.09Å; L241-S244 PolarHBondContact O-OG 2.8Å; L241-L257 HydrophobicContact CB-CD2 4.4Å; L241-L257 HydrophobicContact CD1-CD2 4.23Å; L241-A260 HydrophobicContact CD1-CB 3.77Å; L241-A261 HydrophobicContact CD1-CB 4.07Å; L241-Q264 HydrophobicContact CD2-CB 4.27Å; L241-Q264 HydrophobicContact CD2-CG 4.09Å; L241-V373 HydrophobicContact CD2-CG2 4.44Å; L241-W394 HydrophobicContact CD1-CZ2 4.39Å | ||
| 242 | P | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 3% | 0.026 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 131.3 | 175.9 | -28.2 | 35.4 | 0 | 0 | 0 | 112.6 | S244 A374 Y381 P385 W394 | P242-S244 PolarHBondContact O-N 3.26Å; P242-A374 HydrophobicContact CG-CB 3.81Å; P242-Y381 HydrophobicContact CB-CD1 4.11Å; P242-Y381 HydrophobicContact CB-CE1 4.35Å; P242-Y381 HydrophobicContact CB-CG 4.43Å; P242-Y381 HydrophobicContact CG-CD1 4.09Å; P242-Y381 HydrophobicContact CG-CD2 4.34Å; P242-Y381 HydrophobicContact CG-CE1 3.97Å; P242-Y381 HydrophobicContact CG-CE2 4.19Å; P242-Y381 HydrophobicContact CG-CG 4.28Å; P242-P385 WeakPolarHBondContact O-CD 3.39Å; P242-W394 PolarHBondContact O-NE1 3.34Å |
| 243 | G | 97.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 21 Ų | 21 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 12.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E235 L241 | E235-G243 VanDerWaalsContact OE1-CA 3.22Å; E235-G243 WeakPolarHBondContact OE1-CA 3.37Å; E235-G243 PolarHBondContact OE1-N 2.94Å; L241-G243 PolarHBondContact O-N 2.79Å |
| 244 | S | 98.1 | Very high | 97.6 | Very high | 4 Ų | 4 | 21 Ų | 21 | 3% | 0.028 | 12% | 0.12 | C | C | . | . | trans | -83.2 | -18.1 | -175.4 | 68.1 | 0 | 0 | 0 | 0 | 114.6 | P177 Q240 L241 P242 F246 R254 | P177-S244 VanDerWaalsContact CG-O 3.27Å; P177-S244 WeakPolarHBondContact CG-O 3.49Å; Q240-S244 PolarHBondContact NE2-OG 2.88Å; L241-S244 PolarHBondContact N-OG 2.83Å; L241-S244 WeakPolarHBondContact O-CB 3.48Å; L241-S244 PolarHBondContact O-N 2.94Å; L241-S244 VanDerWaalsContact O-N 3.09Å; L241-S244 PolarHBondContact O-OG 2.8Å; P242-S244 PolarHBondContact O-N 3.26Å; S244-F246 PolarHBondContact O-N 2.7Å; S244-R254 PolarHBondContact O-NH1 3.07Å; S244-R254 VanDerWaalsContact O-NH1 3.1Å; S244-R254 PolarHBondContact O-NH2 3.1Å | ||
| 245 | S | 97.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -49.4 | -177.2 | -73.9 | 0 | 0 | 0 | 0 | 112.9 | G179 Q231 E235 Q240 | G179-S245 WeakPolarHBondContact CA-O 3.25Å; Q231-S245 PolarHBondContact O-OG 3.17Å; Q231-S245 VanDerWaalsContact O-OG 3.12Å; Q231-S245 PolarHBondContact OE1-O 3.16Å; Q231-S245 VanDerWaalsContact OE1-O 3.09Å; E235-S245 WeakPolarHBondContact OE2-CB 3.31Å; E235-S245 PolarHBondContact OE2-N 2.7Å; E235-S245 PolarHBondContact OE2-OG 3.03Å; Q240-S245 PolarHBondContact NE2-OG 3.14Å |
| 246 | F | 97 | Very high | 97.7 | Very high | 8 Ų | 8 | 25.5 Ų | 25.5 | 4% | 0.035 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 17.2 | -161 | -53.5 | -57.8 | 0 | 0 | 0 | 113.9 | P180 Q231 M232 S244 I344 F347 Q348 V353 | P180-F246 HydrophobicContact CG-CB 4.42Å; P180-F246 HydrophobicContact CG-CD1 4.33Å; Q231-F246 HydrophobicContact CB-CE1 4.06Å; Q231-F246 HydrophobicContact CB-CZ 4.22Å; M232-F246 HydrophobicContact CG-CE2 4.23Å; M232-F246 HydrophobicContact CG-CZ 3.81Å; M232-F246 HydrophobicContact SD-CE2 3.64Å; M232-F246 HydrophobicContact SD-CZ 3.87Å; S244-F246 PolarHBondContact O-N 2.7Å; F246-I344 HydrophobicContact CD1-CD1 4.16Å; F246-I344 HydrophobicContact CD1-CG1 3.38Å; F246-I344 HydrophobicContact CE1-CD1 3.66Å; F246-I344 HydrophobicContact CE1-CG1 3.31Å; F246-I344 HydrophobicContact CE2-CD1 4.28Å; F246-I344 HydrophobicContact CE2-CG1 4.49Å; F246-I344 HydrophobicContact CG-CG1 4.07Å; F246-I344 HydrophobicContact CZ-CD1 3.75Å; F246-I344 HydrophobicContact CZ-CG1 3.92Å; F246-F347 HydrophobicContact CD2-CD1 4.46Å; F246-F347 HydrophobicContact CD2-CE1 4.36Å; F246-F347 HydrophobicContact CE2-CD1 4.36Å; F246-F347 HydrophobicContact CE2-CE1 4.03Å; F246-Q348 HydrophobicContact CB-CB 4.23Å; F246-Q348 HydrophobicContact CB-CG 4.09Å; F246-V353 HydrophobicContact CD2-CG2 4.29Å; F246-V353 HydrophobicContact CE2-CG2 3.82Å |
| 247 | V | 97.5 | Very high | 97.7 | Very high | 17 Ų | 17 | 25.6 Ų | 25.6 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -76.7 | 126.5 | 169.6 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | G179 L253 R254 L257 | G179-V247 WeakPolarHBondContact CA-O 3.36Å; V247-L253 HydrophobicContact CG1-CB 3.93Å; V247-L253 HydrophobicContact CG1-CD2 4.14Å; V247-L253 HydrophobicContact CG1-CG 4.03Å; V247-L253 HydrophobicContact CG2-CD2 3.89Å; V247-L253 HydrophobicContact CG2-CG 4.29Å; V247-R254 HydrophobicContact CG1-CB 4.03Å; V247-R254 PolarHBondContact O-NH2 2.67Å; V247-L257 HydrophobicContact CB-CD1 4.21Å; V247-L257 HydrophobicContact CG1-CD1 4.49Å; V247-L257 HydrophobicContact CG2-CD1 3.68Å |
| 248 | H | 97.1 | Very high | 97.7 | Very high | 61 Ų | 61 | 25.3 Ų | 25.3 | 28% | 0.282 | 15% | 0.146 | S | C | . | . | trans | -59.5 | 145.2 | -178.6 | -65.6 | -61 | 0 | 0 | 0 | 113 | P180 D250 S251 R254 N345 | P180-H248 PolarHBondContact O-ND1 3.46Å; H248-D250 VanDerWaalsContact C-N 3.25Å; H248-D250 WeakPolarHBondContact CB-OD1 3.48Å; H248-D250 PolarHBondContact O-N 3.29Å; H248-S251 WeakPolarHBondContact O-CB 3.34Å; H248-S251 PolarHBondContact O-N 3.42Å; H248-S251 VanDerWaalsContact O-N 3.14Å; H248-R254 WeakPolarHBondContact O-CB 3.43Å; H248-N345 PolarHBondContact CE1-OD1 3.46Å | ||
| 249 | P | 96.7 | Very high | 97.7 | Very high | 21 Ų | 21 | 26 Ų | 26 | 14% | 0.136 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -33.8 | -178.3 | -25.4 | 31.5 | 0 | 0 | 0 | 114.9 | P83 S178 P180 | P83-P249 HydrophobicContact CB-CB 4.11Å; P83-P249 HydrophobicContact CG-CB 3.9Å; P83-P249 HydrophobicContact CG-CG 4.19Å; S178-P249 WeakPolarHBondContact O-CG 3.47Å; P180-P249 WeakPolarHBondContact O-CD 3.41Å |
| 250 | D | 93.7 | Very high | 97.7 | Very high | 145 Ų | 145 | 26.5 Ų | 26.5 | 78% | 0.775 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -2.1 | -177 | 63.4 | -22.8 | 0 | 0 | 0 | 113.7 | H248 | H248-D250 VanDerWaalsContact C-N 3.25Å; H248-D250 WeakPolarHBondContact CB-OD1 3.48Å; H248-D250 PolarHBondContact O-N 3.29Å |
| 251 | S | 95.9 | Very high | 97.7 | Very high | 36 Ų | 36 | 26.4 Ų | 26.4 | 25% | 0.252 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -75.5 | 134.9 | 178.8 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | H248 L253 R254 | H248-S251 WeakPolarHBondContact O-CB 3.34Å; H248-S251 PolarHBondContact O-N 3.42Å; H248-S251 VanDerWaalsContact O-N 3.14Å; S251-L253 PolarHBondContact O-N 3.26Å; S251-L253 WeakPolarHBondContact OG-CB 3.46Å; S251-L253 PolarHBondContact OG-N 3.37Å; S251-R254 VanDerWaalsContact O-CB 3.27Å; S251-R254 WeakPolarHBondContact O-CB 3.32Å; S251-R254 PolarHBondContact O-N 3.25Å |
| 252 | P | 97.3 | Very high | 97.7 | Very high | 88 Ų | 88 | 25.9 Ų | 25.9 | 57% | 0.571 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -56 | -25.3 | 170.4 | -25.2 | 34.3 | 0 | 0 | 0 | 113.4 | R254 D255 A256 L387 | P252-R254 VanDerWaalsContact C-N 3.29Å; P252-R254 PolarHBondContact O-N 2.99Å; P252-D255 PolarHBondContact O-N 3.27Å; P252-A256 PolarHBondContact O-N 3.44Å; P252-L387 HydrophobicContact CB-CD1 3.88Å |
| 253 | L | 98.2 | Very high | 97.6 | Very high | 25 Ų | 25 | 29.6 Ų | 29.6 | 13% | 0.131 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.6 | -31.7 | 174.3 | -177.6 | 61.1 | 0 | 0 | 0 | 112 | V247 S251 A256 L257 P385 L387 L392 | V247-L253 HydrophobicContact CG1-CB 3.93Å; V247-L253 HydrophobicContact CG1-CD2 4.14Å; V247-L253 HydrophobicContact CG1-CG 4.03Å; V247-L253 HydrophobicContact CG2-CD2 3.89Å; V247-L253 HydrophobicContact CG2-CG 4.29Å; S251-L253 PolarHBondContact O-N 3.26Å; S251-L253 WeakPolarHBondContact OG-CB 3.46Å; S251-L253 PolarHBondContact OG-N 3.37Å; L253-A256 PolarHBondContact O-N 3.38Å; L253-L257 HydrophobicContact CD1-CD1 4.48Å; L253-L257 HydrophobicContact CD1-CG 4.43Å; L253-L257 HydrophobicContact CG-CD1 4.07Å; L253-L257 HydrophobicContact CG-CG 4.48Å; L253-L257 WeakPolarHBondContact O-CB 2.99Å; L253-L257 WeakPolarHBondContact O-CG 3.33Å; L253-L257 PolarHBondContact O-N 2.83Å; L253-P385 HydrophobicContact CD1-CB 4.29Å; L253-P385 HydrophobicContact CD2-CG 4.49Å; L253-L387 HydrophobicContact CB-CG 4.35Å; L253-L387 HydrophobicContact CD1-CD2 3.9Å; L253-L387 HydrophobicContact CD1-CG 3.99Å; L253-L392 HydrophobicContact CD1-CD1 3.58Å |
| 254 | R | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.9 | -45.4 | 175.6 | 170 | 55.2 | 68.3 | -154.7 | -2.4 | 111 | Y87 P177 S178 S244 V247 H248 S251 P252 A256 L257 T258 | Y87-R254 VanDerWaalsContact OH-CD 3.24Å; Y87-R254 WeakPolarHBondContact OH-CD 3.44Å; Y87-R254 VanDerWaalsContact OH-CG 3.26Å; Y87-R254 WeakPolarHBondContact OH-CG 3.47Å; P177-R254 PolarHBondContact O-NE 3.16Å; P177-R254 PolarHBondContact O-NH1 3.41Å; S178-R254 PolarHBondContact O-NE 2.91Å; S178-R254 PolarHBondContact O-NH2 3.46Å; S244-R254 PolarHBondContact O-NH1 3.07Å; S244-R254 VanDerWaalsContact O-NH1 3.1Å; S244-R254 PolarHBondContact O-NH2 3.1Å; V247-R254 HydrophobicContact CG1-CB 4.03Å; V247-R254 PolarHBondContact O-NH2 2.67Å; H248-R254 WeakPolarHBondContact O-CB 3.43Å; S251-R254 VanDerWaalsContact O-CB 3.27Å; S251-R254 WeakPolarHBondContact O-CB 3.32Å; S251-R254 PolarHBondContact O-N 3.25Å; P252-R254 VanDerWaalsContact C-N 3.29Å; P252-R254 PolarHBondContact O-N 2.99Å; R254-A256 VanDerWaalsContact C-N 3.31Å; R254-A256 PolarHBondContact O-N 3.41Å; R254-L257 PolarHBondContact O-N 3.39Å; R254-T258 WeakPolarHBondContact O-CB 3.48Å; R254-T258 PolarHBondContact O-N 2.93Å; R254-T258 PolarHBondContact O-OG1 3.14Å |
| 255 | D | 98.1 | Very high | 97.5 | Very high | 78 Ų | 78 | 30.5 Ų | 30.5 | 42% | 0.417 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 177.5 | -72.1 | -4.5 | 0 | 0 | 0 | 110.8 | I90 P252 L257 T258 A259 | I90-D255 HydrophobicContact CD1-CB 4.33Å; I90-D255 WeakPolarHBondContact CD1-OD1 3.33Å; P252-D255 PolarHBondContact O-N 3.27Å; D255-L257 PolarHBondContact O-N 2.88Å; D255-T258 PolarHBondContact O-N 3.28Å; D255-A259 WeakPolarHBondContact O-CB 3.48Å; D255-A259 PolarHBondContact O-N 3.32Å |
| 256 | A | 98.5 | Very high | 97.4 | Very high | 21 Ų | 21 | 31.1 Ų | 31.1 | 17% | 0.174 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P252 L253 R254 A259 A260 L387 L392 | P252-A256 PolarHBondContact O-N 3.44Å; L253-A256 PolarHBondContact O-N 3.38Å; R254-A256 VanDerWaalsContact C-N 3.31Å; R254-A256 PolarHBondContact O-N 3.41Å; A256-A259 PolarHBondContact O-N 3.06Å; A256-A260 WeakPolarHBondContact O-CB 3.2Å; A256-A260 PolarHBondContact O-N 3.5Å; A256-L387 HydrophobicContact CB-CD2 3.76Å; A256-L392 HydrophobicContact CB-CB 4.12Å |
| 257 | L | 98.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.6 | -38.9 | 174.7 | -79.1 | 167.7 | 0 | 0 | 0 | 112.6 | L241 V247 L253 R254 D255 A260 A261 P385 L392 W394 | L241-L257 HydrophobicContact CB-CD2 4.4Å; L241-L257 HydrophobicContact CD1-CD2 4.23Å; V247-L257 HydrophobicContact CB-CD1 4.21Å; V247-L257 HydrophobicContact CG1-CD1 4.49Å; V247-L257 HydrophobicContact CG2-CD1 3.68Å; L253-L257 HydrophobicContact CD1-CD1 4.48Å; L253-L257 HydrophobicContact CD1-CG 4.43Å; L253-L257 HydrophobicContact CG-CD1 4.07Å; L253-L257 HydrophobicContact CG-CG 4.48Å; L253-L257 WeakPolarHBondContact O-CB 2.99Å; L253-L257 WeakPolarHBondContact O-CG 3.33Å; L253-L257 PolarHBondContact O-N 2.83Å; R254-L257 PolarHBondContact O-N 3.39Å; D255-L257 PolarHBondContact O-N 2.88Å; L257-A260 PolarHBondContact O-N 2.8Å; L257-A261 PolarHBondContact O-N 2.97Å; L257-P385 HydrophobicContact CD1-CB 4.4Å; L257-P385 HydrophobicContact CD1-CG 4.05Å; L257-P385 HydrophobicContact CD2-CB 3.86Å; L257-P385 HydrophobicContact CD2-CG 4.14Å; L257-P385 HydrophobicContact CG-CB 4.42Å; L257-L392 HydrophobicContact CD2-CD1 4.17Å; L257-L392 HydrophobicContact CD2-CD2 4.21Å; L257-L392 HydrophobicContact CG-CD1 4.29Å; L257-W394 HydrophobicContact CD2-CZ2 4.34Å |
| 258 | T | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.2 | -45.8 | 177 | -60.2 | 0 | 0 | 0 | 0 | 110.6 | Y87 I90 I91 V176 R254 D255 A260 A261 A262 | Y87-T258 HydrophobicContact CD2-CG2 3.76Å; Y87-T258 HydrophobicContact CE2-CG2 4.3Å; Y87-T258 HydrophobicContact CG-CG2 4.14Å; I90-T258 HydrophobicContact CB-CG2 4.42Å; I90-T258 HydrophobicContact CG2-CG2 4.07Å; I91-T258 HydrophobicContact CD1-CG2 4.29Å; I91-T258 HydrophobicContact CG1-CG2 3.82Å; V176-T258 HydrophobicContact CG1-CG2 4.23Å; R254-T258 WeakPolarHBondContact O-CB 3.48Å; R254-T258 PolarHBondContact O-N 2.93Å; R254-T258 PolarHBondContact O-OG1 3.14Å; D255-T258 PolarHBondContact O-N 3.28Å; T258-A260 VanDerWaalsContact C-N 3.33Å; T258-A260 PolarHBondContact O-N 3.07Å; T258-A261 PolarHBondContact O-N 3.25Å; T258-A262 PolarHBondContact O-N 3.32Å |
| 259 | A | 98.6 | Very high | 97 | Very high | 14 Ų | 14 | 34.5 Ų | 34.5 | 12% | 0.116 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -39.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I90 A94 D255 A256 A262 R263 | I90-A259 HydrophobicContact CG2-CB 4.15Å; A94-A259 HydrophobicContact CB-CB 3.7Å; A94-A259 WeakPolarHBondContact CB-O 3.39Å; D255-A259 WeakPolarHBondContact O-CB 3.48Å; D255-A259 PolarHBondContact O-N 3.32Å; A256-A259 PolarHBondContact O-N 3.06Å; A259-A262 WeakPolarHBondContact O-CB 3.26Å; A259-A262 PolarHBondContact O-N 3.38Å; A259-R263 PolarHBondContact O-N 3.49Å; A259-R263 VanDerWaalsContact O-N 3.12Å |
| 260 | A | 98.5 | Very high | 96.2 | Very high | 11 Ų | 11 | 36.2 Ų | 36.2 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.5 | -39.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L241 A256 L257 T258 A262 R263 Q264 L392 W394 | L241-A260 HydrophobicContact CD1-CB 3.77Å; A256-A260 WeakPolarHBondContact O-CB 3.2Å; A256-A260 PolarHBondContact O-N 3.5Å; L257-A260 PolarHBondContact O-N 2.8Å; T258-A260 VanDerWaalsContact C-N 3.33Å; T258-A260 PolarHBondContact O-N 3.07Å; A260-A262 VanDerWaalsContact C-N 3.27Å; A260-A262 PolarHBondContact O-N 2.92Å; A260-R263 PolarHBondContact O-N 2.84Å; A260-Q264 VanDerWaalsContact O-CB 3.32Å; A260-Q264 WeakPolarHBondContact O-CB 3.37Å; A260-Q264 PolarHBondContact O-N 3.22Å; A260-L392 HydrophobicContact CB-CD2 3.34Å; A260-W394 HydrophobicContact CB-CH2 4.35Å |
| 261 | A | 98.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61 | -40.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L149 V174 V176 L241 L257 T258 Q264 V265 | L149-A261 HydrophobicContact CD2-CB 4.31Å; V174-A261 HydrophobicContact CG1-CB 3.93Å; V176-A261 HydrophobicContact CG2-CB 3.84Å; L241-A261 HydrophobicContact CD1-CB 4.07Å; L257-A261 PolarHBondContact O-N 2.97Å; T258-A261 PolarHBondContact O-N 3.25Å; A261-Q264 PolarHBondContact O-N 3.06Å; A261-Q264 VanDerWaalsContact O-N 3.16Å; A261-V265 PolarHBondContact O-N 3.41Å |
| 262 | A | 98.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I91 A94 L95 L149 T258 A259 A260 Q264 V265 | I91-A262 HydrophobicContact CB-CB 4.39Å; I91-A262 HydrophobicContact CG1-CB 4.44Å; I91-A262 HydrophobicContact CG2-CB 3.94Å; A94-A262 HydrophobicContact CB-CB 4.03Å; L95-A262 HydrophobicContact CD2-CB 4.18Å; L95-A262 VanDerWaalsContact CD2-O 3.24Å; L95-A262 WeakPolarHBondContact CD2-O 3.12Å; L95-A262 HydrophobicContact CG-CB 4.09Å; L149-A262 HydrophobicContact CD1-CB 3.98Å; T258-A262 PolarHBondContact O-N 3.32Å; A259-A262 WeakPolarHBondContact O-CB 3.26Å; A259-A262 PolarHBondContact O-N 3.38Å; A260-A262 VanDerWaalsContact C-N 3.27Å; A260-A262 PolarHBondContact O-N 2.92Å; A262-Q264 VanDerWaalsContact C-N 3.35Å; A262-V265 VanDerWaalsContact O-CG1 3.28Å; A262-V265 WeakPolarHBondContact O-CG1 3.49Å |
| 263 | R | 97 | Very high | 93.2 | Very high | 81 Ų | 81 | 35.7 Ų | 35.7 | 31% | 0.306 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71 | -30.7 | 172.1 | -66.7 | -174.9 | -72.1 | -93 | -4.6 | 112.6 | A94 E97 A98 A259 A260 T266 R267 | A94-R263 HydrophobicContact CB-CG 4.44Å; E97-R263 IonicContact OE2-NH1 2.89Å; E97-R263 PolarHBondContact OE2-NH1 3.26Å; A98-R263 HydrophobicContact CB-CG 4.13Å; A259-R263 PolarHBondContact O-N 3.49Å; A259-R263 VanDerWaalsContact O-N 3.12Å; A260-R263 PolarHBondContact O-N 2.84Å; R263-T266 PolarHBondContact O-OG1 3.15Å; R263-R267 WeakPolarHBondContact O-CG 3.44Å; R263-R267 PolarHBondContact O-N 2.97Å |
| 264 | Q | 97.1 | Very high | 92.5 | Very high | 28 Ų | 28 | 40.7 Ų | 40.7 | 13% | 0.131 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72 | -41.8 | -177.1 | -171.8 | 59.5 | 14.5 | 0 | 0 | 111.7 | L241 A260 A261 A262 T266 R267 M268 V373 | L241-Q264 HydrophobicContact CD2-CB 4.27Å; L241-Q264 HydrophobicContact CD2-CG 4.09Å; A260-Q264 VanDerWaalsContact O-CB 3.32Å; A260-Q264 WeakPolarHBondContact O-CB 3.37Å; A260-Q264 PolarHBondContact O-N 3.22Å; A261-Q264 PolarHBondContact O-N 3.06Å; A261-Q264 VanDerWaalsContact O-N 3.16Å; A262-Q264 VanDerWaalsContact C-N 3.35Å; Q264-T266 PolarHBondContact O-N 3.31Å; Q264-R267 WeakPolarHBondContact O-CB 3.27Å; Q264-R267 PolarHBondContact O-N 3.42Å; Q264-R267 VanDerWaalsContact O-N 3.12Å; Q264-M268 PolarHBondContact O-N 2.76Å; Q264-V373 VanDerWaalsContact CD-O 3.29Å; Q264-V373 WeakPolarHBondContact CG-O 3.41Å; Q264-V373 PolarHBondContact NE2-O 3.48Å |
| 265 | V | 97 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -34.5 | 177.8 | 68.9 | 0 | 0 | 0 | 0 | 111.8 | I68 L149 P172 V174 A261 A262 R267 M268 T269 | I68-V265 HydrophobicContact CD1-CG1 4.14Å; I68-V265 HydrophobicContact CG1-CG1 4.17Å; I68-V265 HydrophobicContact CG2-CG1 3.78Å; L149-V265 HydrophobicContact CD1-CG1 4.49Å; L149-V265 HydrophobicContact CD2-CB 4.34Å; L149-V265 HydrophobicContact CD2-CG1 4.02Å; L149-V265 HydrophobicContact CG-CG1 4.11Å; P172-V265 HydrophobicContact CB-CG2 4.08Å; V174-V265 HydrophobicContact CB-CB 4.46Å; V174-V265 HydrophobicContact CG2-CB 3.81Å; V174-V265 HydrophobicContact CG2-CG2 4.26Å; A261-V265 PolarHBondContact O-N 3.41Å; A262-V265 VanDerWaalsContact O-CG1 3.28Å; A262-V265 WeakPolarHBondContact O-CG1 3.49Å; V265-R267 VanDerWaalsContact C-N 3.34Å; V265-R267 PolarHBondContact O-N 3.48Å; V265-M268 PolarHBondContact O-N 3.23Å; V265-T269 WeakPolarHBondContact O-CG2 3.42Å |
| 266 | T | 95 | Very high | 92.1 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 8% | 0.08 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.9 | -34.2 | 177.6 | 63.2 | 0 | 0 | 0 | 0 | 112.4 | I68 L95 A100 R263 Q264 M268 T269 | I68-T266 HydrophobicContact CD1-CG2 4.14Å; I68-T266 HydrophobicContact CG1-CG2 3.92Å; L95-T266 HydrophobicContact CD2-CG2 3.49Å; L95-T266 VanDerWaalsContact CD2-CG2 3.49Å; A100-T266 HydrophobicContact CB-CG2 3.59Å; R263-T266 PolarHBondContact O-OG1 3.15Å; Q264-T266 PolarHBondContact O-N 3.31Å; T266-M268 PolarHBondContact O-N 3.39Å; T266-T269 PolarHBondContact O-N 2.73Å; T266-T269 PolarHBondContact O-OG1 3.08Å |
| 267 | R | 94.6 | Very high | 92 | Very high | 146 Ų | 146 | 39.7 Ų | 39.7 | 55% | 0.551 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -67.3 | -25.8 | 178.2 | -67.2 | 172.5 | 72.3 | -167.3 | 10 | 113.2 | R263 Q264 V265 N273 | R263-R267 WeakPolarHBondContact O-CG 3.44Å; R263-R267 PolarHBondContact O-N 2.97Å; Q264-R267 WeakPolarHBondContact O-CB 3.27Å; Q264-R267 PolarHBondContact O-N 3.42Å; Q264-R267 VanDerWaalsContact O-N 3.12Å; V265-R267 VanDerWaalsContact C-N 3.34Å; V265-R267 PolarHBondContact O-N 3.48Å; R267-N273 PolarHBondContact O-N 2.87Å |
| 268 | M | 95.3 | Very high | 92 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -6.5 | 179.6 | -64.6 | 168.7 | 58.1 | 0 | 0 | 113.5 | P172 V174 Q264 V265 T266 E274 W275 M276 M281 V373 | P172-M268 HydrophobicContact CB-CB 3.71Å; P172-M268 HydrophobicContact CB-CE 4.31Å; P172-M268 HydrophobicContact CG-CB 4.11Å; P172-M268 WeakPolarHBondContact CG-O 3.45Å; V174-M268 HydrophobicContact CG2-SD 4.34Å; Q264-M268 PolarHBondContact O-N 2.76Å; V265-M268 PolarHBondContact O-N 3.23Å; T266-M268 PolarHBondContact O-N 3.39Å; M268-E274 CarbonylContact C-O 3.49Å; M268-E274 WeakPolarHBondContact CA-O 3.23Å; M268-W275 WeakPolarHBondContact O-CA 3.41Å; M268-M276 HydrophobicContact CB-CB 4.38Å; M268-M276 HydrophobicContact CE-CB 4.02Å; M268-M276 HydrophobicContact CE-CG 4.01Å; M268-M276 WeakPolarHBondContact CE-O 3.21Å; M268-M276 HydrophobicContact CG-CB 4.4Å; M268-M276 PolarHBondContact O-N 3.33Å; M268-M281 HydrophobicContact CE-SD 4.36Å; M268-V373 HydrophobicContact CE-CG1 4.32Å; M268-V373 HydrophobicContact SD-CB 4.22Å; M268-V373 HydrophobicContact SD-CG1 4.36Å |
| 269 | T | 92.3 | Very high | 92 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -71.8 | 166.4 | 177.6 | 67 | 0 | 0 | 0 | 0 | 112.3 | N66 I68 D146 P172 V265 T266 N271 G272 | N66-T269 PolarHBondContact ND2-OG1 2.96Å; N66-T269 PolarHBondContact OD1-OG1 3.39Å; I68-T269 HydrophobicContact CD1-CG2 4.29Å; D146-T269 HydrophobicContact CB-CG2 4.48Å; D146-T269 WeakPolarHBondContact O-CG2 3.49Å; P172-T269 HydrophobicContact CG-CG2 4.19Å; V265-T269 WeakPolarHBondContact O-CG2 3.42Å; T266-T269 PolarHBondContact O-N 2.73Å; T266-T269 PolarHBondContact O-OG1 3.08Å; T269-N271 PolarHBondContact O-N 3.18Å; T269-N271 PolarHBondContact OG1-N 2.93Å; T269-G272 WeakPolarHBondContact O-CA 3.32Å; T269-G272 PolarHBondContact O-N 3.19Å; T269-G272 PolarHBondContact OG1-N 2.93Å |
| 270 | G | 80.6 | Confident | 91.9 | Very high | 58 Ų | 58 | 42.5 Ų | 42.5 | 60% | 0.598 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -22.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G272 | G270-G272 VanDerWaalsContact C-N 3.33Š|
| 271 | N | 76.1 | Confident | 91.9 | Very high | 79 Ų | 79 | 42 Ų | 42 | 42% | 0.422 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -8 | 172 | -64.1 | -35.4 | 0 | 0 | 0 | 112.8 | V35 N66 T269 | V35-N271 WeakPolarHBondContact CG1-ND2 3.48Å; N66-N271 WeakPolarHBondContact OD1-CB 3.24Å; N66-N271 PolarHBondContact OD1-ND2 2.86Å; T269-N271 PolarHBondContact O-N 3.18Å; T269-N271 PolarHBondContact OG1-N 2.93Å |
| 272 | G | 75.1 | Confident | 91.9 | Very high | 26 Ų | 26 | 41.9 Ų | 41.9 | 27% | 0.268 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -82.5 | -166.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T269 G270 | T269-G272 WeakPolarHBondContact O-CA 3.32Å; T269-G272 PolarHBondContact O-N 3.19Å; T269-G272 PolarHBondContact OG1-N 2.93Å; G270-G272 VanDerWaalsContact C-N 3.33Å |
| 273 | N | 72.6 | Confident | 91.9 | Very high | 153 Ų | 153 | 43.5 Ų | 43.5 | 82% | 0.818 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -78.1 | -32.4 | -177.6 | -67.4 | -11.6 | 0 | 0 | 0 | 112.2 | R267 | R267-N273 PolarHBondContact O-N 2.87Š|
| 274 | E | 82.4 | Confident | 92 | Very high | 129 Ų | 129 | 40.9 Ų | 40.9 | 60% | 0.603 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -148.6 | 110.2 | -172.2 | -169.2 | 171.7 | -168 | 0 | 0 | 109.5 | M268 M276 | M268-E274 CarbonylContact C-O 3.49Å; M268-E274 WeakPolarHBondContact CA-O 3.23Å; E274-M276 PolarHBondContact O-N 3.28Å |
| 275 | W | 92.2 | Very high | 92.1 | Very high | 56 Ų | 56 | 42 Ų | 42 | 21% | 0.212 | 22% | 0.218 | C | C | . | . | trans | -68.9 | 106.1 | 177.4 | 177.7 | 61.6 | 0 | 0 | 0 | 110 | I27 K31 H170 M268 P277 K280 | I27-W275 HydrophobicContact CG2-CH2 4.43Å; K31-W275 HydrophobicContact CB-CH2 3.86Å; K31-W275 HydrophobicContact CB-CZ2 4.02Å; K31-W275 HydrophobicContact CD-CE3 4.06Å; K31-W275 HydrophobicContact CD-CH2 3.56Å; K31-W275 HydrophobicContact CD-CZ2 4.14Å; K31-W275 HydrophobicContact CD-CZ3 3.5Å; K31-W275 HydrophobicContact CG-CH2 3.67Å; K31-W275 HydrophobicContact CG-CZ2 3.76Å; K31-W275 HydrophobicContact CG-CZ3 4.07Å; H170-W275 PolarHBondContact O-NE1 3.32Å; M268-W275 WeakPolarHBondContact O-CA 3.41Å; W275-P277 HydrophobicContact CD2-CG 4.11Å; W275-P277 HydrophobicContact CE3-CG 4.33Å; W275-P277 HydrophobicContact CH2-CB 4.48Å; W275-P277 HydrophobicContact CH2-CG 3.78Å; W275-P277 HydrophobicContact CZ2-CB 3.72Å; W275-P277 HydrophobicContact CZ2-CG 3.47Å; W275-P277 VanDerWaalsContact CZ2-CG 3.47Å; W275-P277 HydrophobicContact CZ3-CG 4.2Å; W275-P277 WeakPolarHBondContact O-CD 3.34Å; W275-K280 HydrophobicContact CZ3-CD 4.27Å | ||
| 276 | M | 96 | Very high | 92.2 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 12% | 0.118 | 22% | 0.219 | C | C | . | . | trans | -121.6 | 85.9 | 178.3 | -175.2 | 54.9 | 61.6 | 0 | 0 | 109.5 | M268 E274 M281 N371 | M268-M276 HydrophobicContact CB-CB 4.38Å; M268-M276 HydrophobicContact CE-CB 4.02Å; M268-M276 HydrophobicContact CE-CG 4.01Å; M268-M276 WeakPolarHBondContact CE-O 3.21Å; M268-M276 HydrophobicContact CG-CB 4.4Å; M268-M276 PolarHBondContact O-N 3.33Å; E274-M276 PolarHBondContact O-N 3.28Å; M276-M281 HydrophobicContact CG-CB 4.31Å; M276-M281 HydrophobicContact SD-CB 4.14Å; M276-N371 HydrophobicContact CE-CB 3.87Å; M276-N371 WeakPolarHBondContact CE-OD1 3.14Å; M276-N371 HydrophobicContact SD-CB 3.79Å | ||
| 277 | P | 96.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -78.1 | 149 | -179.8 | 38.2 | -41.1 | 0 | 0 | 0 | 110.5 | I27 G169 H170 W275 G279 K280 M281 | I27-P277 HydrophobicContact CG2-CG 4.4Å; G169-P277 WeakPolarHBondContact O-CB 2.95Å; H170-P277 VanDerWaalsContact O-CB 3.25Å; H170-P277 WeakPolarHBondContact O-CB 3.47Å; W275-P277 HydrophobicContact CD2-CG 4.11Å; W275-P277 HydrophobicContact CE3-CG 4.33Å; W275-P277 HydrophobicContact CH2-CB 4.48Å; W275-P277 HydrophobicContact CH2-CG 3.78Å; W275-P277 HydrophobicContact CZ2-CB 3.72Å; W275-P277 HydrophobicContact CZ2-CG 3.47Å; W275-P277 VanDerWaalsContact CZ2-CG 3.47Å; W275-P277 HydrophobicContact CZ3-CG 4.2Å; W275-P277 WeakPolarHBondContact O-CD 3.34Å; P277-G279 PolarHBondContact O-N 3.01Å; P277-G279 VanDerWaalsContact O-N 3.16Å; P277-K280 HydrophobicContact CG-CB 3.89Å; P277-K280 HydrophobicContact CG-CD 3.87Å; P277-K280 HydrophobicContact CG-CG 3.74Å; P277-K280 PolarHBondContact O-N 3.17Å; P277-M281 PolarHBondContact O-N 3.1Å | ||
| 278 | I | 98.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.1 | -33.4 | -174 | -172.1 | 167.7 | 0 | 0 | 0 | 112.8 | A165 L166 L171 A173 F175 M239 K280 M281 I282 | A165-I278 HydrophobicContact CB-CD1 3.91Å; A165-I278 HydrophobicContact CB-CG2 4.48Å; A165-I278 WeakPolarHBondContact O-CG2 3.45Å; L166-I278 HydrophobicContact CD2-CG1 4.26Å; L171-I278 WeakPolarHBondContact O-CG2 3.41Å; L171-I278 PolarHBondContact O-N 3.05Å; A173-I278 HydrophobicContact CB-CB 3.85Å; A173-I278 HydrophobicContact CB-CD1 3.69Å; A173-I278 HydrophobicContact CB-CG1 4.3Å; A173-I278 HydrophobicContact CB-CG2 4.02Å; F175-I278 HydrophobicContact CE2-CD1 4.32Å; M239-I278 HydrophobicContact CE-CD1 4.01Å; I278-K280 PolarHBondContact O-N 2.87Å; I278-M281 HydrophobicContact CG1-CE 4.19Å; I278-M281 PolarHBondContact O-N 3.37Å; I278-I282 HydrophobicContact CD1-CG1 4.44Å; I278-I282 HydrophobicContact CG1-CG1 3.8Å; I278-I282 WeakPolarHBondContact O-CG1 3.03Å; I278-I282 PolarHBondContact O-N 3.23Å |
| 279 | G | 98.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.1 | -26.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R20 Y23 G169 P277 | R20-G279 PolarHBondContact NH1-O 2.92Å; R20-G279 PolarHBondContact NH2-O 3.46Å; Y23-G279 WeakPolarHBondContact OH-CA 3.43Å; G169-G279 VanDerWaalsContact O-CA 3.29Å; G169-G279 WeakPolarHBondContact O-CA 3.24Å; G169-G279 PolarHBondContact O-N 3.16Å; P277-G279 PolarHBondContact O-N 3.01Å; P277-G279 VanDerWaalsContact O-N 3.16Å |
| 280 | K | 97.6 | Very high | 93 | Very high | 74 Ų | 74 | 34.1 Ų | 34.1 | 32% | 0.322 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -88.3 | -35.2 | 171.3 | -67.7 | -171.1 | -177.8 | -170.7 | 0 | 112.3 | L24 E28 W275 P277 I278 | L24-K280 HydrophobicContact CD2-CG 4.17Å; E28-K280 IonicContact OE2-NZ 2.87Å; E28-K280 PolarHBondContact OE2-NZ 3.44Å; W275-K280 HydrophobicContact CZ3-CD 4.27Å; P277-K280 HydrophobicContact CG-CB 3.89Å; P277-K280 HydrophobicContact CG-CD 3.87Å; P277-K280 HydrophobicContact CG-CG 3.74Å; P277-K280 PolarHBondContact O-N 3.17Å; I278-K280 PolarHBondContact O-N 2.87Å |
| 281 | M | 98.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 177.1 | -171.4 | -177.1 | 79.7 | 0 | 0 | 111.4 | M239 M268 M276 P277 I278 D283 V286 N371 V373 | M239-M281 HydrophobicContact CB-CE 4.34Å; M239-M281 HydrophobicContact CG-CE 3.72Å; M268-M281 HydrophobicContact CE-SD 4.36Å; M276-M281 HydrophobicContact CG-CB 4.31Å; M276-M281 HydrophobicContact SD-CB 4.14Å; P277-M281 PolarHBondContact O-N 3.1Å; I278-M281 HydrophobicContact CG1-CE 4.19Å; I278-M281 PolarHBondContact O-N 3.37Å; M281-D283 PolarHBondContact O-N 2.88Å; M281-V286 WeakPolarHBondContact O-CG2 3.42Å; M281-N371 HydrophobicContact CG-CB 4.21Å; M281-N371 WeakPolarHBondContact CG-O 3.31Å; M281-V373 HydrophobicContact CE-CG1 4.05Å; M281-V373 HydrophobicContact SD-CG1 3.83Å |
| 282 | I | 98.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -82.2 | 104.3 | 175.8 | -54.9 | -52.1 | 0 | 0 | 0 | 109.1 | R20 L166 M237 M239 I278 V286 V287 A314 | R20-I282 PolarHBondContact NH1-O 2.75Å; R20-I282 VanDerWaalsContact NH1-O 3.16Å; R20-I282 PolarHBondContact NH2-O 3.46Å; L166-I282 HydrophobicContact CD2-CB 3.97Å; L166-I282 HydrophobicContact CD2-CG1 3.99Å; L166-I282 HydrophobicContact CD2-CG2 4.35Å; M237-I282 HydrophobicContact CE-CD1 4.18Å; M237-I282 HydrophobicContact CE-CG2 4.34Å; M239-I282 HydrophobicContact CG-CD1 3.65Å; M239-I282 HydrophobicContact SD-CD1 3.75Å; I278-I282 HydrophobicContact CD1-CG1 4.44Å; I278-I282 HydrophobicContact CG1-CG1 3.8Å; I278-I282 WeakPolarHBondContact O-CG1 3.03Å; I278-I282 PolarHBondContact O-N 3.23Å; I282-V286 HydrophobicContact CD1-CG1 3.66Å; I282-V287 HydrophobicContact CG2-CG2 4.14Å; I282-A314 HydrophobicContact CG2-CB 4.29Å |
| 283 | D | 98.7 | Very high | 96 | Very high | 34 Ų | 34 | 26.4 Ų | 26.4 | 18% | 0.182 | 13% | 0.126 | C | C | . | . | trans | -118.9 | -177.1 | 172 | 71.5 | 12.6 | 0 | 0 | 0 | 111.5 | M281 K285 V286 V287 I316 | M281-D283 PolarHBondContact O-N 2.88Å; D283-K285 PolarHBondContact O-N 3.05Å; D283-K285 WeakPolarHBondContact OD1-CA 3.25Å; D283-K285 WeakPolarHBondContact OD1-CB 3.46Å; D283-K285 PolarHBondContact OD1-N 3.04Å; D283-V286 PolarHBondContact O-N 2.89Å; D283-V286 WeakPolarHBondContact OD1-CG2 3.48Å; D283-V286 PolarHBondContact OD1-N 3.46Å; D283-V287 WeakPolarHBondContact O-CG2 3.25Å; D283-V287 PolarHBondContact O-N 3.18Å; D283-I316 VanDerWaalsContact C-CD1 3.41Å | ||
| 284 | E | 98.8 | Very high | 97.1 | Very high | 25 Ų | 25 | 19.1 Ų | 19.1 | 12% | 0.117 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.7 | -35.1 | -179.2 | -63.4 | 90.7 | 150.9 | 0 | 0 | 112.5 | I12 I13 V287 V288 I316 | I12-E284 HydrophobicContact CG2-CB 4.13Å; I12-E284 HydrophobicContact CG2-CG 3.95Å; I13-E284 HydrophobicContact CG1-CB 3.7Å; I13-E284 HydrophobicContact CG1-CG 3.72Å; E284-V287 PolarHBondContact O-N 3.39Å; E284-V288 VanDerWaalsContact O-CG2 3.31Å; E284-V288 WeakPolarHBondContact O-CG2 3.48Å; E284-V288 PolarHBondContact O-N 3.19Å; E284-I316 HydrophobicContact CG-CD1 4.43Å; E284-I316 HydrophobicContact CG-CG1 4.21Å; E284-I316 HydrophobicContact CG-CG2 4.04Å |
| 285 | K | 98.9 | Very high | 97.7 | Very high | 53 Ų | 53 | 13 Ų | 13 | 23% | 0.23 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -69.6 | -43.1 | 178.4 | -65.2 | 179.1 | -177.7 | 175 | 0 | 111 | T9 D283 V287 V288 N289 H367 D369 V370 | T9-K285 HydrophobicContact CG2-CG 4.13Å; D283-K285 PolarHBondContact O-N 3.05Å; D283-K285 WeakPolarHBondContact OD1-CA 3.25Å; D283-K285 WeakPolarHBondContact OD1-CB 3.46Å; D283-K285 PolarHBondContact OD1-N 3.04Å; K285-V287 VanDerWaalsContact C-N 3.34Å; K285-V287 PolarHBondContact O-N 2.72Å; K285-V288 PolarHBondContact O-N 3.16Å; K285-N289 PolarHBondContact O-N 3.09Å; K285-H367 HydrophobicContact CB-CB 3.82Å; K285-H367 HydrophobicContact CD-CB 4.15Å; K285-H367 HydrophobicContact CG-CB 4.26Å; K285-D369 VanDerWaalsContact NZ-CG 3.31Å; K285-D369 IonicContact NZ-OD1 3.83Å; K285-D369 IonicContact NZ-OD2 2.85Å; K285-D369 PolarHBondContact NZ-OD2 3.22Å; K285-V370 HydrophobicContact CB-CG1 3.73Å; K285-V370 HydrophobicContact CD-CG1 4.33Å |
| 286 | V | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.006 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.1 | -42.1 | 175.7 | 172 | 0 | 0 | 0 | 0 | 111.1 | M237 M281 I282 D283 V288 N289 G290 V370 | M237-V286 HydrophobicContact CB-CG1 3.75Å; M237-V286 HydrophobicContact CE-CG1 4.22Å; M237-V286 HydrophobicContact CG-CG1 4.04Å; M237-V286 VanDerWaalsContact O-CG1 3.25Å; M237-V286 WeakPolarHBondContact O-CG1 3.44Å; M281-V286 WeakPolarHBondContact O-CG2 3.42Å; I282-V286 HydrophobicContact CD1-CG1 3.66Å; D283-V286 PolarHBondContact O-N 2.89Å; D283-V286 WeakPolarHBondContact OD1-CG2 3.48Å; D283-V286 PolarHBondContact OD1-N 3.46Å; V286-V288 PolarHBondContact O-N 2.89Å; V286-N289 WeakPolarHBondContact O-CB 3.02Å; V286-N289 PolarHBondContact O-N 3.39Å; V286-G290 PolarHBondContact O-N 3.29Å; V286-V370 HydrophobicContact CG2-CB 3.8Å; V286-V370 HydrophobicContact CG2-CG1 3.83Å; V286-V370 HydrophobicContact CG2-CG2 4.45Å |
| 287 | V | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 9.2 Ų | 9.2 | 1% | 0.012 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 174.2 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | I282 D283 E284 K285 N289 G290 I291 A311 I316 I318 | I282-V287 HydrophobicContact CG2-CG2 4.14Å; D283-V287 WeakPolarHBondContact O-CG2 3.25Å; D283-V287 PolarHBondContact O-N 3.18Å; E284-V287 PolarHBondContact O-N 3.39Å; K285-V287 VanDerWaalsContact C-N 3.34Å; K285-V287 PolarHBondContact O-N 2.72Å; V287-N289 PolarHBondContact O-N 3.35Å; V287-G290 PolarHBondContact O-N 3.26Å; V287-G290 VanDerWaalsContact O-N 3.16Å; V287-I291 HydrophobicContact CG1-CD1 4.47Å; V287-I291 PolarHBondContact O-N 2.9Å; V287-A311 HydrophobicContact CG1-CB 3.96Å; V287-A311 HydrophobicContact CG2-CB 4.1Å; V287-I316 HydrophobicContact CG2-CD1 3.76Å; V287-I316 HydrophobicContact CG2-CG2 4.37Å; V287-I318 HydrophobicContact CG1-CD1 3.9Å; V287-I318 HydrophobicContact CG1-CG2 3.87Å |
| 288 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -61.7 | -41.9 | 175.4 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | L5 T9 I12 E284 K285 V286 G290 I291 V292 L326 | L5-V288 HydrophobicContact CD1-CG1 4.36Å; L5-V288 HydrophobicContact CD2-CG1 4.32Å; L5-V288 HydrophobicContact CG-CG1 4.06Å; T9-V288 HydrophobicContact CG2-CG2 4.45Å; I12-V288 HydrophobicContact CD1-CG2 3.6Å; E284-V288 VanDerWaalsContact O-CG2 3.31Å; E284-V288 WeakPolarHBondContact O-CG2 3.48Å; E284-V288 PolarHBondContact O-N 3.19Å; K285-V288 PolarHBondContact O-N 3.16Å; V286-V288 PolarHBondContact O-N 2.89Å; V288-G290 VanDerWaalsContact C-N 3.27Å; V288-G290 PolarHBondContact O-N 3.35Å; V288-I291 PolarHBondContact O-N 3.5Å; V288-I291 VanDerWaalsContact O-N 3.09Å; V288-V292 HydrophobicContact CG1-CG2 4.34Å; V288-V292 WeakPolarHBondContact O-CG2 3.46Å; V288-V292 PolarHBondContact O-N 2.81Å; V288-L326 HydrophobicContact CG1-CD1 4.23Å; V288-L326 HydrophobicContact CG1-CD2 4.35Å |
| 289 | N | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -59.1 | -39 | 174.3 | -72.8 | -8.5 | 0 | 0 | 0 | 111.8 | K285 V286 V287 V292 A293 L366 H367 | K285-N289 PolarHBondContact O-N 3.09Å; V286-N289 WeakPolarHBondContact O-CB 3.02Å; V286-N289 PolarHBondContact O-N 3.39Å; V287-N289 PolarHBondContact O-N 3.35Å; N289-V292 PolarHBondContact O-N 3.14Å; N289-A293 WeakPolarHBondContact O-CB 3.48Å; N289-A293 PolarHBondContact O-N 3.4Å; N289-L366 HydrophobicContact CB-CD2 3.85Å; N289-L366 WeakPolarHBondContact OD1-CA 3.48Å; N289-H367 PolarHBondContact ND2-O 3.01Å; N289-H367 PolarHBondContact OD1-N 3.03Å |
| 290 | G | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -62 | -40.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | V286 V287 V288 A293 L294 | V286-G290 PolarHBondContact O-N 3.29Å; V287-G290 PolarHBondContact O-N 3.26Å; V287-G290 VanDerWaalsContact O-N 3.16Å; V288-G290 VanDerWaalsContact C-N 3.27Å; V288-G290 PolarHBondContact O-N 3.35Å; G290-A293 WeakPolarHBondContact O-CB 3.33Å; G290-A293 PolarHBondContact O-N 3.37Å; G290-L294 PolarHBondContact O-N 3.04Å; G290-L294 VanDerWaalsContact O-N 3.11Å |
| 291 | I | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -66.4 | -42.4 | 174.5 | -60.7 | 168.8 | 0 | 0 | 0 | 110.7 | V287 V288 A293 L294 L295 L307 I318 F323 L326 | V287-I291 HydrophobicContact CG1-CD1 4.47Å; V287-I291 PolarHBondContact O-N 2.9Å; V288-I291 PolarHBondContact O-N 3.5Å; V288-I291 VanDerWaalsContact O-N 3.09Å; I291-A293 VanDerWaalsContact C-N 3.32Å; I291-A293 PolarHBondContact O-N 2.85Å; I291-L294 WeakPolarHBondContact O-CB 3.41Å; I291-L294 PolarHBondContact O-N 3.46Å; I291-L295 HydrophobicContact CG2-CD1 3.78Å; I291-L295 HydrophobicContact CG2-CG 4.29Å; I291-L295 VanDerWaalsContact O-CG 3.29Å; I291-L295 WeakPolarHBondContact O-CG 3.41Å; I291-L295 PolarHBondContact O-N 3.37Å; I291-L307 HydrophobicContact CG1-CD1 4.1Å; I291-I318 HydrophobicContact CD1-CD1 3.94Å; I291-I318 HydrophobicContact CD1-CG2 4.45Å; I291-F323 HydrophobicContact CB-CE1 4.44Å; I291-F323 HydrophobicContact CD1-CE1 4.42Å; I291-F323 HydrophobicContact CD1-CE2 4.32Å; I291-F323 HydrophobicContact CD1-CZ 4.19Å; I291-F323 HydrophobicContact CG1-CD1 4.4Å; I291-F323 HydrophobicContact CG1-CE1 3.88Å; I291-F323 HydrophobicContact CG1-CZ 3.99Å; I291-F323 HydrophobicContact CG2-CD1 3.67Å; I291-F323 HydrophobicContact CG2-CE1 3.95Å; I291-F323 HydrophobicContact CG2-CG 4.23Å; I291-L326 HydrophobicContact CB-CD1 3.99Å; I291-L326 HydrophobicContact CD1-CD1 4.19Å; I291-L326 HydrophobicContact CG2-CB 4.44Å; I291-L326 HydrophobicContact CG2-CD1 3.59Å |
| 292 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -60.2 | -43.4 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | L5 V288 N289 L294 L295 A296 V330 L360 L365 L366 | L5-V292 HydrophobicContact CD1-CG2 4.03Å; V288-V292 HydrophobicContact CG1-CG2 4.34Å; V288-V292 WeakPolarHBondContact O-CG2 3.46Å; V288-V292 PolarHBondContact O-N 2.81Å; N289-V292 PolarHBondContact O-N 3.14Å; V292-L294 VanDerWaalsContact C-N 3.34Å; V292-L294 PolarHBondContact O-N 3.09Å; V292-L295 PolarHBondContact O-N 3.27Å; V292-A296 VanDerWaalsContact O-CB 3.24Å; V292-A296 WeakPolarHBondContact O-CB 3.49Å; V292-A296 PolarHBondContact O-N 3.4Å; V292-V330 HydrophobicContact CB-CG2 4.35Å; V292-V330 HydrophobicContact CG1-CG1 3.98Å; V292-V330 HydrophobicContact CG1-CG2 4.08Å; V292-V330 HydrophobicContact CG2-CG2 3.91Å; V292-L360 HydrophobicContact CG1-CD1 4.11Å; V292-L360 HydrophobicContact CG1-CD2 4.25Å; V292-L365 WeakPolarHBondContact CG1-O 3.46Å; V292-L365 VanDerWaalsContact CG2-O 3.31Å; V292-L365 WeakPolarHBondContact CG2-O 3.41Å; V292-L366 HydrophobicContact CB-CD2 3.94Å; V292-L366 HydrophobicContact CG1-CD2 3.73Å; V292-L366 HydrophobicContact CG1-CG 4.3Å |
| 293 | A | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -58.1 | -46.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V233 F236 N289 G290 I291 L295 T297 | V233-A293 HydrophobicContact CG2-CB 4.32Å; F236-A293 HydrophobicContact CB-CB 3.55Å; F236-A293 HydrophobicContact CD1-CB 3.4Å; F236-A293 HydrophobicContact CD2-CB 4.05Å; F236-A293 HydrophobicContact CE1-CB 4.03Å; F236-A293 HydrophobicContact CG-CB 3.4Å; N289-A293 WeakPolarHBondContact O-CB 3.48Å; N289-A293 PolarHBondContact O-N 3.4Å; G290-A293 WeakPolarHBondContact O-CB 3.33Å; G290-A293 PolarHBondContact O-N 3.37Å; I291-A293 VanDerWaalsContact C-N 3.32Å; I291-A293 PolarHBondContact O-N 2.85Å; A293-L295 PolarHBondContact O-N 2.91Å; A293-T297 WeakPolarHBondContact O-CB 3.25Å; A293-T297 WeakPolarHBondContact O-CG2 3.47Å; A293-T297 PolarHBondContact O-N 3.23Å; A293-T297 PolarHBondContact O-OG1 3.32Å |
| 294 | L | 96.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 4.2 Ų | 4.2 | 1% | 0.005 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -56.8 | -48.5 | 176.6 | 171.6 | 66.7 | 0 | 0 | 0 | 111.5 | T229 V233 G290 I291 V292 T297 G298 G299 S300 H303 L307 F323 | T229-L294 HydrophobicContact CG2-CD1 3.64Å; V233-L294 HydrophobicContact CG2-CB 4.33Å; G290-L294 PolarHBondContact O-N 3.04Å; G290-L294 VanDerWaalsContact O-N 3.11Å; I291-L294 WeakPolarHBondContact O-CB 3.41Å; I291-L294 PolarHBondContact O-N 3.46Å; V292-L294 VanDerWaalsContact C-N 3.34Å; V292-L294 PolarHBondContact O-N 3.09Å; L294-T297 PolarHBondContact O-OG1 3.02Å; L294-G298 PolarHBondContact O-N 2.9Å; L294-G298 VanDerWaalsContact O-N 3.13Å; L294-G299 PolarHBondContact O-N 3.35Å; L294-S300 WeakPolarHBondContact CD1-O 3.3Å; L294-H303 HydrophobicContact CD1-CB 3.76Å; L294-H303 HydrophobicContact CD2-CB 3.68Å; L294-H303 HydrophobicContact CG-CB 4.3Å; L294-L307 HydrophobicContact CD2-CD1 4.13Å; L294-F323 HydrophobicContact CD2-CD1 4.06Å; L294-F323 HydrophobicContact CD2-CE1 3.74Å |
| 295 | L | 96 | Very high | 96.4 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -70.8 | -47.1 | -176.6 | -68.3 | 170.5 | 0 | 0 | 0 | 111.9 | I291 V292 A293 T297 G298 L326 V330 G418 | I291-L295 HydrophobicContact CG2-CD1 3.78Å; I291-L295 HydrophobicContact CG2-CG 4.29Å; I291-L295 VanDerWaalsContact O-CG 3.29Å; I291-L295 WeakPolarHBondContact O-CG 3.41Å; I291-L295 PolarHBondContact O-N 3.37Å; V292-L295 PolarHBondContact O-N 3.27Å; A293-L295 PolarHBondContact O-N 2.91Å; L295-T297 PolarHBondContact O-N 2.88Å; L295-T297 VanDerWaalsContact O-N 3.1Å; L295-G298 PolarHBondContact O-N 2.88Å; L295-G298 VanDerWaalsContact O-N 3.1Å; L295-L326 HydrophobicContact CD1-CB 3.64Å; L295-V330 HydrophobicContact CB-CB 4.06Å; L295-V330 HydrophobicContact CB-CG1 3.74Å; L295-V330 HydrophobicContact CD1-CB 4.28Å; L295-V330 HydrophobicContact CD1-CG2 4.36Å; L295-G418 CarbonylContact O-C 3.51Å |
| 296 | A | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 0.5 Ų | 0.5 | 0% | 0 | 0% | 0.003 | C | C | . | . | H | α-helix | trans | -63 | -22.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V292 V330 P331 M333 A334 L360 | V292-A296 VanDerWaalsContact O-CB 3.24Å; V292-A296 WeakPolarHBondContact O-CB 3.49Å; V292-A296 PolarHBondContact O-N 3.4Å; A296-V330 HydrophobicContact CB-CG1 3.83Å; A296-P331 VanDerWaalsContact CA-O 3.31Å; A296-P331 WeakPolarHBondContact CA-O 3.49Å; A296-M333 PolarHBondContact O-N 3.25Å; A296-A334 PolarHBondContact O-N 3.48Å; A296-A334 VanDerWaalsContact O-N 3.16Å; A296-L360 HydrophobicContact CB-CD1 3.83Å; A296-L360 HydrophobicContact CB-CD2 4.16Å |
| 297 | T | 94.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 0.5 Ų | 0.5 | 0% | 0 | 0% | 0.003 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -4.8 | 179.1 | 58.5 | 0 | 0 | 0 | 0 | 114.2 | Y224 M232 A293 L294 L295 G299 A334 N339 L356 | Y224-T297 VanDerWaalsContact CE1-CB 3.5Å; Y224-T297 VanDerWaalsContact CE1-O 3.3Å; Y224-T297 WeakPolarHBondContact CE1-O 3.48Å; Y224-T297 WeakPolarHBondContact CE1-OG1 3.26Å; Y224-T297 WeakPolarHBondContact OH-CB 3.49Å; Y224-T297 PolarHBondContact OH-OG1 2.95Å; M232-T297 HydrophobicContact CE-CG2 3.79Å; A293-T297 WeakPolarHBondContact O-CB 3.25Å; A293-T297 WeakPolarHBondContact O-CG2 3.47Å; A293-T297 PolarHBondContact O-N 3.23Å; A293-T297 PolarHBondContact O-OG1 3.32Å; L294-T297 PolarHBondContact O-OG1 3.02Å; L295-T297 PolarHBondContact O-N 2.88Å; L295-T297 VanDerWaalsContact O-N 3.1Å; T297-G299 VanDerWaalsContact C-N 3.33Å; T297-G299 PolarHBondContact O-N 2.76Å; T297-A334 HydrophobicContact CG2-CB 4.13Å; T297-N339 PolarHBondContact O-ND2 3.22Å; T297-L356 HydrophobicContact CG2-CD1 3.63Å |
| 298 | G | 92 | Very high | 96.3 | Very high | 0 Ų | 0 | 0.5 Ų | 0.5 | 0% | 0 | 0% | 0.003 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 46.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L294 L295 L332 N339 K433 | L294-G298 PolarHBondContact O-N 2.9Å; L294-G298 VanDerWaalsContact O-N 3.13Å; L295-G298 PolarHBondContact O-N 2.88Å; L295-G298 VanDerWaalsContact O-N 3.1Å; G298-L332 VanDerWaalsContact N-CD1 3.34Å; G298-N339 PolarHBondContact O-ND2 2.98Å; G298-K433 WeakPolarHBondContact O-CE 3.48Å; G298-K433 PolarHBondContact O-NZ 3.49Å |
| 299 | G | 92.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 0.5 Ų | 0.5 | 0% | 0 | 0% | 0.003 | C | C | . | . | trans | -71.2 | -175.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L294 T297 T301 | L294-G299 PolarHBondContact O-N 3.35Å; T297-G299 VanDerWaalsContact C-N 3.33Å; T297-G299 PolarHBondContact O-N 2.76Å; G299-T301 PolarHBondContact O-N 3.12Å | ||
| 300 | S | 93 | Very high | 96.3 | Very high | 0 Ų | 0 | 0.7 Ų | 0.7 | 0% | 0 | 0% | 0.004 | C | C | . | . | trans | -64.5 | 130.6 | -175.3 | -178.6 | 0 | 0 | 0 | 0 | 112.5 | T226 T229 L294 N302 H303 G514 | T226-S300 WeakPolarHBondContact OG1-CB 3.2Å; T226-S300 PolarHBondContact OG1-OG 3.08Å; T229-S300 PolarHBondContact OG1-N 3.3Å; T229-S300 VanDerWaalsContact OG1-N 3.09Å; L294-S300 WeakPolarHBondContact CD1-O 3.3Å; S300-N302 PolarHBondContact O-N 2.93Å; S300-N302 VanDerWaalsContact O-N 3.11Å; S300-N302 PolarHBondContact OG-N 2.97Å; S300-H303 WeakPolarHBondContact O-CB 3.46Å; S300-H303 PolarHBondContact O-N 2.7Å; S300-G514 VanDerWaalsContact OG-CA 3.27Å; S300-G514 WeakPolarHBondContact OG-CA 3.49Å | ||
| 301 | T | 93.4 | Very high | 96.3 | Very high | 5 Ų | 5 | 0.8 Ų | 0.8 | 3% | 0.031 | 1% | 0.005 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.9 | 173.5 | 45.2 | 0 | 0 | 0 | 0 | 113.2 | G299 H303 T304 V431 K433 I523 | G299-T301 PolarHBondContact O-N 3.12Å; T301-H303 PolarHBondContact O-N 2.59Å; T301-H303 VanDerWaalsContact O-N 3.11Å; T301-T304 WeakPolarHBondContact O-CB 3.34Å; T301-T304 WeakPolarHBondContact O-CG2 3.3Å; T301-T304 PolarHBondContact O-N 3.29Å; T301-T304 PolarHBondContact O-OG1 3.5Å; T301-V431 HydrophobicContact CG2-CG2 4.42Å; T301-K433 HydrophobicContact CG2-CB 3.91Å; T301-I523 HydrophobicContact CG2-CD1 4.26Å; T301-I523 VanDerWaalsContact OG1-CD1 3.24Å; T301-I523 WeakPolarHBondContact OG1-CD1 3.49Å |
| 302 | N | 94.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.02 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -28.7 | 171.3 | -76.8 | -20.7 | 0 | 0 | 0 | 112.7 | D155 T226 S300 T304 M305 H306 E486 R511 | D155-N302 PolarHBondContact OD2-ND2 2.9Å; T226-N302 HydrophobicContact CG2-CB 3.85Å; T226-N302 PolarHBondContact OG1-ND2 3.17Å; S300-N302 PolarHBondContact O-N 2.93Å; S300-N302 VanDerWaalsContact O-N 3.11Å; S300-N302 PolarHBondContact OG-N 2.97Å; N302-T304 PolarHBondContact O-N 3.11Å; N302-M305 HydrophobicContact CB-CE 4.46Å; N302-M305 PolarHBondContact O-N 3.02Å; N302-H306 PolarHBondContact O-N 2.81Å; N302-E486 PolarHBondContact ND2-OE1 3.32Å; N302-R511 WeakPolarHBondContact OD1-CD 3.48Å |
| 303 | H | 95.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -67.7 | -19.1 | 177.5 | -78.4 | 64.6 | 0 | 0 | 0 | 113.6 | T226 T229 N230 L294 S300 T301 M305 H306 L307 | T226-H303 VanDerWaalsContact CG2-CE1 3.46Å; T226-H303 WeakPolarHBondContact CG2-CE1 3.22Å; T229-H303 VanDerWaalsContact CB-CE1 3.48Å; T229-H303 WeakPolarHBondContact CB-CE1 3.08Å; T229-H303 VanDerWaalsContact CG2-CE1 3.41Å; T229-H303 WeakPolarHBondContact CG2-CE1 3.45Å; N230-H303 WeakPolarHBondContact CA-NE2 3.46Å; N230-H303 PolarHBondContact N-NE2 3.25Å; N230-H303 PolarHBondContact OD1-CE1 3.19Å; N230-H303 PolarHBondContact OD1-NE2 3.13Å; L294-H303 HydrophobicContact CD1-CB 3.76Å; L294-H303 HydrophobicContact CD2-CB 3.68Å; L294-H303 HydrophobicContact CG-CB 4.3Å; S300-H303 WeakPolarHBondContact O-CB 3.46Å; S300-H303 PolarHBondContact O-N 2.7Å; T301-H303 PolarHBondContact O-N 2.59Å; T301-H303 VanDerWaalsContact O-N 3.11Å; H303-M305 PolarHBondContact O-N 2.94Å; H303-H306 PolarHBondContact O-N 3.19Å; H303-L307 HydrophobicContact CB-CD1 4.14Å; H303-L307 HydrophobicContact CB-CG 4.49Å; H303-L307 VanDerWaalsContact O-CB 3.25Å; H303-L307 WeakPolarHBondContact O-CB 3.12Å; H303-L307 PolarHBondContact O-N 3.23Å |
| 304 | T | 95.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 5 Ų | 5 | 1% | 0.006 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -65.2 | -17 | 171 | 66.3 | 0 | 0 | 0 | 0 | 112.6 | T301 N302 V308 W320 F323 T420 V431 | T301-T304 WeakPolarHBondContact O-CB 3.34Å; T301-T304 WeakPolarHBondContact O-CG2 3.3Å; T301-T304 PolarHBondContact O-N 3.29Å; T301-T304 PolarHBondContact O-OG1 3.5Å; N302-T304 PolarHBondContact O-N 3.11Å; T304-V308 WeakPolarHBondContact O-CG2 3.24Å; T304-W320 PolarHBondContact O-NE1 2.95Å; T304-F323 HydrophobicContact CG2-CD1 4.22Å; T304-F323 HydrophobicContact CG2-CE1 4.35Å; T304-T420 HydrophobicContact CG2-CG2 4.39Å; T304-V431 HydrophobicContact CG2-CG1 4.29Å |
| 305 | M | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -102.3 | -44.9 | 171.2 | -59.6 | 175.5 | -67.9 | 0 | 0 | 111.2 | N302 H303 L307 V308 A309 M484 H524 A594 G597 A598 | N302-M305 HydrophobicContact CB-CE 4.46Å; N302-M305 PolarHBondContact O-N 3.02Å; H303-M305 PolarHBondContact O-N 2.94Å; M305-L307 PolarHBondContact O-N 2.97Å; M305-V308 PolarHBondContact O-N 3.1Å; M305-A309 PolarHBondContact O-N 3.07Å; M305-M484 HydrophobicContact CE-CE 3.25Å; M305-M484 HydrophobicContact SD-CE 3.18Å; M305-M484 WeakPolarHBondContact SD-CE 3.31Å; M305-M484 HydrophobicContact SD-SD 3.84Å; M305-H524 WeakPolarHBondContact CE-CE1 3.4Å; M305-H524 WeakPolarHBondContact CE-NE2 3.39Å; M305-A594 HydrophobicContact CG-CB 4.22Å; M305-A594 WeakPolarHBondContact CG-O 3.27Å; M305-A594 HydrophobicContact SD-CB 3.82Å; M305-G597 WeakPolarHBondContact O-CA 3.35Å; M305-A598 HydrophobicContact SD-CB 4.24Å |
| 306 | H | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | -176.4 | -60.9 | -31.7 | 0 | 0 | 0 | 112.1 | D155 P159 N302 H303 V308 A309 M310 | D155-H306 IonicContact OD1-CD2 3.84Å; D155-H306 IonicContact OD1-CE1 2.73Å; D155-H306 IonicContact OD1-NE2 2.73Å; D155-H306 PolarHBondContact OD1-NE2 3.09Å; P159-H306 HydrophobicContact CB-CB 3.93Å; P159-H306 HydrophobicContact CG-CB 3.66Å; N302-H306 PolarHBondContact O-N 2.81Å; H303-H306 PolarHBondContact O-N 3.19Å; H306-V308 VanDerWaalsContact C-N 3.29Å; H306-V308 PolarHBondContact O-N 3.42Å; H306-A309 PolarHBondContact O-N 3.04Å; H306-M310 HydrophobicContact CB-CE 4.21Å; H306-M310 WeakPolarHBondContact O-CB 3.26Å; H306-M310 VanDerWaalsContact O-CG 3.25Å; H306-M310 WeakPolarHBondContact O-CG 3.35Å; H306-M310 PolarHBondContact O-N 2.68Å |
| 307 | L | 98.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 8.2 Ų | 8.2 | 1% | 0.01 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -64.1 | -36.3 | 177 | -77.2 | 163 | 0 | 0 | 0 | 111.6 | V233 M237 I291 L294 H303 M305 M310 A311 I318 F323 | V233-L307 HydrophobicContact CG1-CD2 3.93Å; M237-L307 HydrophobicContact SD-CD2 4.11Å; I291-L307 HydrophobicContact CG1-CD1 4.1Å; L294-L307 HydrophobicContact CD2-CD1 4.13Å; H303-L307 HydrophobicContact CB-CD1 4.14Å; H303-L307 HydrophobicContact CB-CG 4.49Å; H303-L307 VanDerWaalsContact O-CB 3.25Å; H303-L307 WeakPolarHBondContact O-CB 3.12Å; H303-L307 PolarHBondContact O-N 3.23Å; M305-L307 PolarHBondContact O-N 2.97Å; L307-M310 HydrophobicContact CB-CE 4.46Å; L307-M310 HydrophobicContact CD2-CE 3.75Å; L307-M310 HydrophobicContact CG-CE 4Å; L307-M310 PolarHBondContact O-N 3.03Å; L307-A311 WeakPolarHBondContact O-CB 3.4Å; L307-A311 PolarHBondContact O-N 2.97Å; L307-I318 HydrophobicContact CB-CD1 3.99Å; L307-F323 HydrophobicContact CB-CZ 3.99Å; L307-F323 HydrophobicContact CD1-CE1 3.93Å; L307-F323 HydrophobicContact CD1-CZ 4.13Å |
| 308 | V | 98.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 8.7 Ų | 8.7 | 1% | 0.012 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 175.5 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | T304 M305 H306 R312 I318 F323 | T304-V308 WeakPolarHBondContact O-CG2 3.24Å; M305-V308 PolarHBondContact O-N 3.1Å; H306-V308 VanDerWaalsContact C-N 3.29Å; H306-V308 PolarHBondContact O-N 3.42Å; V308-R312 VanDerWaalsContact O-CB 3.27Å; V308-R312 WeakPolarHBondContact O-CB 3.21Å; V308-R312 PolarHBondContact O-N 3.39Å; V308-I318 HydrophobicContact CB-CG1 4.39Å; V308-I318 HydrophobicContact CG2-CD1 4.23Å; V308-I318 HydrophobicContact CG2-CG1 3.99Å; V308-F323 HydrophobicContact CG2-CE2 4.17Å |
| 309 | A | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -65.1 | -44.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M163 M305 H306 R312 A313 | M163-A309 HydrophobicContact CE-CB 4.49Å; M163-A309 HydrophobicContact SD-CB 4.04Å; M305-A309 PolarHBondContact O-N 3.07Å; H306-A309 PolarHBondContact O-N 3.04Å; A309-R312 PolarHBondContact O-N 3.22Å; A309-A313 PolarHBondContact O-N 3.2Å; A309-A313 VanDerWaalsContact O-N 3.16Å |
| 310 | M | 98.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 10.4 Ų | 10.4 | 2% | 0.02 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.4 | -47.6 | 176.9 | -71 | -174.4 | -67.9 | 0 | 0 | 111.8 | P159 T162 M163 L166 H306 L307 R312 A313 | P159-M310 HydrophobicContact CB-CG 4.13Å; P159-M310 HydrophobicContact CB-SD 4.05Å; P159-M310 HydrophobicContact CG-SD 4.45Å; T162-M310 VanDerWaalsContact CB-SD 3.59Å; T162-M310 HydrophobicContact CG2-CB 3.97Å; T162-M310 HydrophobicContact CG2-CG 3.73Å; T162-M310 HydrophobicContact CG2-SD 3.63Å; M163-M310 HydrophobicContact CG-CG 4.46Å; L166-M310 WeakPolarHBondContact CD1-O 3.25Å; H306-M310 HydrophobicContact CB-CE 4.21Å; H306-M310 WeakPolarHBondContact O-CB 3.26Å; H306-M310 VanDerWaalsContact O-CG 3.25Å; H306-M310 WeakPolarHBondContact O-CG 3.35Å; H306-M310 PolarHBondContact O-N 2.68Å; L307-M310 HydrophobicContact CB-CE 4.46Å; L307-M310 HydrophobicContact CD2-CE 3.75Å; L307-M310 HydrophobicContact CG-CE 4Å; L307-M310 PolarHBondContact O-N 3.03Å; M310-R312 VanDerWaalsContact C-N 3.32Å; M310-R312 PolarHBondContact O-N 2.93Å; M310-A313 WeakPolarHBondContact O-CB 3.46Å; M310-A313 PolarHBondContact O-N 3.16Å |
| 311 | A | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 2% | 0.017 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V287 L307 A313 A314 G315 I316 I318 | V287-A311 HydrophobicContact CG1-CB 3.96Å; V287-A311 HydrophobicContact CG2-CB 4.1Å; L307-A311 WeakPolarHBondContact O-CB 3.4Å; L307-A311 PolarHBondContact O-N 2.97Å; A311-A313 VanDerWaalsContact C-N 3.26Å; A311-A313 PolarHBondContact O-N 3.31Å; A311-A314 CarbonylContact O-C 3.6Å; A311-A314 WeakPolarHBondContact O-CA 3.4Å; A311-A314 WeakPolarHBondContact O-CB 3.22Å; A311-A314 PolarHBondContact O-N 2.84Å; A311-G315 PolarHBondContact O-N 3.47Å; A311-I316 CarbonylContact C-O 3.47Å; A311-I316 HydrophobicContact CB-CB 4.05Å; A311-I316 HydrophobicContact CB-CG2 4.17Å; A311-I316 WeakPolarHBondContact O-CA 3.38Å; A311-I316 WeakPolarHBondContact O-CB 3.36Å; A311-I316 PolarHBondContact O-N 3.42Å; A311-I316 VanDerWaalsContact O-O 3.13Å; A311-I318 HydrophobicContact CB-CD1 4.1Å; A311-I318 HydrophobicContact CB-CG1 3.97Å |
| 312 | R | 98.4 | Very high | 97.7 | Very high | 87 Ų | 87 | 13.2 Ų | 13.2 | 33% | 0.328 | 7% | 0.065 | S | C | . | . | H | α-helix | trans | -61.1 | -35.7 | 178.1 | -173.7 | 171.5 | -111.1 | 121.1 | 3.6 | 112.1 | V308 A309 M310 A314 G315 I316 Q596 F603 | V308-R312 VanDerWaalsContact O-CB 3.27Å; V308-R312 WeakPolarHBondContact O-CB 3.21Å; V308-R312 PolarHBondContact O-N 3.39Å; A309-R312 PolarHBondContact O-N 3.22Å; M310-R312 VanDerWaalsContact C-N 3.32Å; M310-R312 PolarHBondContact O-N 2.93Å; R312-A314 PolarHBondContact O-N 3.15Å; R312-G315 PolarHBondContact O-N 2.99Å; R312-I316 WeakPolarHBondContact CA-O 3.41Å; R312-I316 PolarHBondContact N-O 2.74Å; R312-I316 VanDerWaalsContact N-O 3.15Å; R312-Q596 PolarHBondContact NH1-O 2.87Å; R312-F603 HydrophobicContact CB-CD2 4.41Å; R312-F603 HydrophobicContact CG-CD2 4Å |
| 313 | A | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.008 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.9 | -21.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y23 M163 L166 A309 M310 A311 F603 | Y23-A313 WeakPolarHBondContact CE2-O 3.42Å; M163-A313 HydrophobicContact CB-CB 4.35Å; M163-A313 HydrophobicContact CG-CB 4.29Å; L166-A313 HydrophobicContact CB-CB 3.92Å; L166-A313 HydrophobicContact CD1-CB 3.99Å; A309-A313 PolarHBondContact O-N 3.2Å; A309-A313 VanDerWaalsContact O-N 3.16Å; M310-A313 WeakPolarHBondContact O-CB 3.46Å; M310-A313 PolarHBondContact O-N 3.16Å; A311-A313 VanDerWaalsContact C-N 3.26Å; A311-A313 PolarHBondContact O-N 3.31Å; A313-F603 HydrophobicContact CB-CD1 3.83Å; A313-F603 HydrophobicContact CB-CD2 4.33Å; A313-F603 HydrophobicContact CB-CE1 3.53Å; A313-F603 HydrophobicContact CB-CE2 4.06Å; A313-F603 HydrophobicContact CB-CG 4.22Å; A313-F603 HydrophobicContact CB-CZ 3.64Å |
| 314 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 8.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R20 Y23 L166 I282 A311 R312 I316 | R20-A314 VanDerWaalsContact CD-O 3.27Å; R20-A314 WeakPolarHBondContact CD-O 3.45Å; R20-A314 PolarHBondContact NH1-O 2.91Å; Y23-A314 VanDerWaalsContact CD1-O 3.26Å; Y23-A314 WeakPolarHBondContact CD1-O 3.41Å; Y23-A314 HydrophobicContact CE1-CB 4.47Å; L166-A314 HydrophobicContact CD1-CB 4.01Å; L166-A314 HydrophobicContact CD2-CB 3.94Å; L166-A314 HydrophobicContact CG-CB 4.48Å; I282-A314 HydrophobicContact CG2-CB 4.29Å; A311-A314 CarbonylContact O-C 3.6Å; A311-A314 WeakPolarHBondContact O-CA 3.4Å; A311-A314 WeakPolarHBondContact O-CB 3.22Å; A311-A314 PolarHBondContact O-N 2.84Å; R312-A314 PolarHBondContact O-N 3.15Å; A314-I316 VanDerWaalsContact C-N 3.28Å; A314-I316 HydrophobicContact CB-CD1 3.96Å; A314-I316 HydrophobicContact CB-CG1 4.23Å; A314-I316 PolarHBondContact O-N 3.44Å |
| 315 | G | 98.5 | Very high | 97.7 | Very high | 9 Ų | 9 | 15.9 Ų | 15.9 | 9% | 0.093 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 14.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T19 R20 A311 R312 | T19-G315 CarbonylContact C-O 3.21Å; T19-G315 WeakPolarHBondContact CB-O 3.47Å; T19-G315 PolarHBondContact OG1-O 3.12Å; R20-G315 PolarHBondContact N-O 2.8Å; R20-G315 VanDerWaalsContact N-O 3.16Å; A311-G315 PolarHBondContact O-N 3.47Å; R312-G315 PolarHBondContact O-N 2.99Å |
| 316 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -101.1 | 130 | -177.7 | -58.6 | 165.7 | 0 | 0 | 0 | 109.5 | I12 D283 E284 V287 A311 R312 A314 I318 | I12-I316 HydrophobicContact CG2-CG2 3.71Å; D283-I316 VanDerWaalsContact C-CD1 3.41Å; E284-I316 HydrophobicContact CG-CD1 4.43Å; E284-I316 HydrophobicContact CG-CG1 4.21Å; E284-I316 HydrophobicContact CG-CG2 4.04Å; V287-I316 HydrophobicContact CG2-CD1 3.76Å; V287-I316 HydrophobicContact CG2-CG2 4.37Å; A311-I316 CarbonylContact C-O 3.47Å; A311-I316 HydrophobicContact CB-CB 4.05Å; A311-I316 HydrophobicContact CB-CG2 4.17Å; A311-I316 WeakPolarHBondContact O-CA 3.38Å; A311-I316 WeakPolarHBondContact O-CB 3.36Å; A311-I316 PolarHBondContact O-N 3.42Å; A311-I316 VanDerWaalsContact O-O 3.13Å; R312-I316 WeakPolarHBondContact CA-O 3.41Å; R312-I316 PolarHBondContact N-O 2.74Å; R312-I316 VanDerWaalsContact N-O 3.15Å; A314-I316 VanDerWaalsContact C-N 3.28Å; A314-I316 HydrophobicContact CB-CD1 3.96Å; A314-I316 HydrophobicContact CB-CG1 4.23Å; A314-I316 PolarHBondContact O-N 3.44Å; I316-I318 HydrophobicContact CG2-CG2 4.32Å | ||
| 317 | Q | 98.6 | Very high | 97.6 | Very high | 59 Ų | 59 | 15.9 Ų | 15.9 | 28% | 0.276 | 8% | 0.08 | S | C | . | . | trans | -107.8 | 109 | -177.5 | -58.2 | -174.8 | 15.6 | 0 | 0 | 110.2 | R15 S16 T19 | R15-Q317 HydrophobicContact CG-CB 4.17Å; R15-Q317 PolarHBondContact NE-O 3.24Å; R15-Q317 VanDerWaalsContact NE-O 3.08Å; R15-Q317 PolarHBondContact NH2-O 3.14Å; S16-Q317 PolarHBondContact OG-N 3.08Å; T19-Q317 VanDerWaalsContact CG2-NE2 3.28Å; T19-Q317 PolarHBondContact OG1-NE2 2.99Å | ||
| 318 | I | 98.6 | Very high | 97.4 | Very high | 10 Ų | 10 | 19.3 Ų | 19.3 | 5% | 0.051 | 10% | 0.099 | C | C | . | . | trans | -115.2 | 153.2 | 169.4 | 60.3 | 169.2 | 0 | 0 | 0 | 110.3 | I12 V287 I291 L307 V308 A311 I316 D322 F323 | I12-I318 HydrophobicContact CD1-CG2 3.75Å; I12-I318 HydrophobicContact CG1-CG2 3.99Å; I12-I318 HydrophobicContact CG2-CG2 3.89Å; V287-I318 HydrophobicContact CG1-CD1 3.9Å; V287-I318 HydrophobicContact CG1-CG2 3.87Å; I291-I318 HydrophobicContact CD1-CD1 3.94Å; I291-I318 HydrophobicContact CD1-CG2 4.45Å; L307-I318 HydrophobicContact CB-CD1 3.99Å; V308-I318 HydrophobicContact CB-CG1 4.39Å; V308-I318 HydrophobicContact CG2-CD1 4.23Å; V308-I318 HydrophobicContact CG2-CG1 3.99Å; A311-I318 HydrophobicContact CB-CD1 4.1Å; A311-I318 HydrophobicContact CB-CG1 3.97Å; I316-I318 HydrophobicContact CG2-CG2 4.32Å; I318-D322 VanDerWaalsContact CA-OD2 3.31Å; I318-D322 WeakPolarHBondContact CA-OD2 3.49Å; I318-F323 HydrophobicContact CD1-CE2 3.89Å; I318-F323 HydrophobicContact CD1-CZ 3.96Å | ||
| 319 | N | 97.5 | Very high | 97.2 | Very high | 36 Ų | 36 | 20.9 Ų | 20.9 | 19% | 0.193 | 11% | 0.108 | C | C | . | . | trans | -139.8 | 176.6 | 175.9 | 71.3 | -4.6 | 0 | 0 | 0 | 110.7 | R15 D321 D322 F323 | R15-N319 PolarHBondContact NH1-ND2 3.39Å; R15-N319 PolarHBondContact NH1-OD1 3.32Å; N319-D321 PolarHBondContact ND2-OD2 2.83Å; N319-D321 PolarHBondContact O-N 3.3Å; N319-D321 PolarHBondContact OD1-N 3.41Å; N319-D322 PolarHBondContact N-OD2 3.47Å; N319-D322 WeakPolarHBondContact O-CB 3.34Å; N319-D322 PolarHBondContact O-N 2.89Å; N319-D322 VanDerWaalsContact O-N 3.07Å; N319-D322 PolarHBondContact OD1-N 2.62Å; N319-D322 PolarHBondContact OD1-OD2 3.46Å; N319-D322 VanDerWaalsContact OD1-OD2 3.14Å; N319-F323 VanDerWaalsContact O-CD2 3.3Å; N319-F323 WeakPolarHBondContact O-CD2 3.23Å | ||
| 320 | W | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.7 | -24.2 | -176.5 | -71.8 | -13.4 | 0 | 0 | 0 | 114.1 | T304 D322 F323 S324 V422 R429 V431 H524 A594 E595 | T304-W320 PolarHBondContact O-NE1 2.95Å; W320-D322 PolarHBondContact O-N 3.2Å; W320-F323 PolarHBondContact O-N 2.88Å; W320-F323 VanDerWaalsContact O-N 3.15Å; W320-S324 PolarHBondContact O-N 3.1Å; W320-V422 HydrophobicContact CB-CG1 4.1Å; W320-V422 HydrophobicContact CB-CG2 3.69Å; W320-V422 HydrophobicContact CE3-CG1 4.34Å; W320-V422 HydrophobicContact CG-CG2 4.41Å; W320-V422 WeakPolarHBondContact O-CG2 3.49Å; W320-R429 HydrophobicContact CE3-CB 4.03Å; W320-R429 HydrophobicContact CZ3-CB 3.78Å; W320-V431 HydrophobicContact CD2-CG1 3.72Å; W320-V431 HydrophobicContact CE3-CG1 4.1Å; W320-V431 HydrophobicContact CG-CG1 4.19Å; W320-V431 HydrophobicContact CH2-CG1 4.24Å; W320-V431 HydrophobicContact CZ2-CG1 3.86Å; W320-V431 HydrophobicContact CZ3-CG1 4.35Å; W320-H524 HydrophobicContact CH2-CB 3.83Å; W320-H524 WeakPolarHBondContact CH2-O 3.41Å; W320-H524 HydrophobicContact CZ2-CB 3.96Å; W320-A594 HydrophobicContact CH2-CB 4.35Å; W320-A594 HydrophobicContact CZ2-CB 4.22Å; W320-E595 HydrophobicContact CB-CG 4.33Å; W320-E595 WeakPolarHBondContact CB-OE1 3.41Å; W320-E595 HydrophobicContact CD2-CB 3.8Å; W320-E595 HydrophobicContact CD2-CG 3.69Å; W320-E595 HydrophobicContact CE3-CB 3.85Å; W320-E595 HydrophobicContact CE3-CG 3.92Å; W320-E595 HydrophobicContact CG-CB 4.45Å; W320-E595 HydrophobicContact CG-CG 3.86Å; W320-E595 HydrophobicContact CH2-CB 3.94Å; W320-E595 HydrophobicContact CZ2-CB 3.9Å; W320-E595 HydrophobicContact CZ3-CB 3.9Å; W320-E595 HydrophobicContact CZ3-CG 4.48Å; W320-E595 PolarHBondContact N-OE1 2.96Å |
| 321 | D | 95.9 | Very high | 97.1 | Very high | 64 Ų | 64 | 20.9 Ų | 20.9 | 34% | 0.342 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -62.4 | -33.3 | 174.2 | -50.9 | -43.4 | 0 | 0 | 0 | 111.5 | R11 N319 S324 D325 R429 | R11-D321 PolarHBondContact NH2-O 2.93Å; N319-D321 PolarHBondContact ND2-OD2 2.83Å; N319-D321 PolarHBondContact O-N 3.3Å; N319-D321 PolarHBondContact OD1-N 3.41Å; D321-S324 PolarHBondContact O-N 3.29Å; D321-D325 VanDerWaalsContact O-CB 3.27Å; D321-D325 WeakPolarHBondContact O-CB 3.37Å; D321-D325 VanDerWaalsContact O-CG 3.3Å; D321-D325 PolarHBondContact O-N 2.83Å; D321-R429 IonicContact OD1-CZ 2.85Å; D321-R429 IonicContact OD1-NH1 2.79Å; D321-R429 PolarHBondContact OD1-NH1 3.3Å; D321-R429 IonicContact OD1-NH2 3.12Å; D321-R429 PolarHBondContact OD1-NH2 2.87Å; D321-R429 IonicContact OD2-NH2 3.71Å |
| 322 | D | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.2 | -42.1 | 174.4 | -51.6 | -46.2 | 0 | 0 | 0 | 111.8 | V8 R11 I12 R15 I318 N319 W320 L326 | V8-D322 HydrophobicContact CG1-CB 3.78Å; R11-D322 IonicContact CZ-OD1 2.74Å; R11-D322 IonicContact NE-OD1 2.86Å; R11-D322 PolarHBondContact NE-OD1 3.21Å; R11-D322 VanDerWaalsContact NE-OD1 3.09Å; R11-D322 IonicContact NH2-OD1 3.51Å; R11-D322 PolarHBondContact NH2-OD1 3.07Å; I12-D322 HydrophobicContact CD1-CB 4.2Å; R15-D322 IonicContact CZ-OD2 2.77Å; R15-D322 IonicContact NH1-OD1 3.78Å; R15-D322 IonicContact NH1-OD2 3.35Å; R15-D322 IonicContact NH2-OD1 3.71Å; R15-D322 PolarHBondContact NH2-OD1 3.34Å; R15-D322 IonicContact NH2-OD2 2.58Å; R15-D322 PolarHBondContact NH2-OD2 3.35Å; I318-D322 VanDerWaalsContact CA-OD2 3.31Å; I318-D322 WeakPolarHBondContact CA-OD2 3.49Å; N319-D322 PolarHBondContact N-OD2 3.47Å; N319-D322 WeakPolarHBondContact O-CB 3.34Å; N319-D322 PolarHBondContact O-N 2.89Å; N319-D322 VanDerWaalsContact O-N 3.07Å; N319-D322 PolarHBondContact OD1-N 2.62Å; N319-D322 PolarHBondContact OD1-OD2 3.46Å; N319-D322 VanDerWaalsContact OD1-OD2 3.14Å; W320-D322 PolarHBondContact O-N 3.2Å; D322-L326 VanDerWaalsContact O-CB 3.29Å; D322-L326 WeakPolarHBondContact O-CB 3.34Å; D322-L326 WeakPolarHBondContact O-CD1 3.37Å; D322-L326 VanDerWaalsContact O-CG 3.23Å; D322-L326 WeakPolarHBondContact O-CG 3.44Å; D322-L326 PolarHBondContact O-N 2.81Å |
| 323 | F | 96.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 1% | 0.013 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 175 | -71.4 | -97.7 | 0 | 0 | 0 | 111 | I291 L294 T304 L307 V308 I318 N319 W320 S327 | I291-F323 HydrophobicContact CB-CE1 4.44Å; I291-F323 HydrophobicContact CD1-CE1 4.42Å; I291-F323 HydrophobicContact CD1-CE2 4.32Å; I291-F323 HydrophobicContact CD1-CZ 4.19Å; I291-F323 HydrophobicContact CG1-CD1 4.4Å; I291-F323 HydrophobicContact CG1-CE1 3.88Å; I291-F323 HydrophobicContact CG1-CZ 3.99Å; I291-F323 HydrophobicContact CG2-CD1 3.67Å; I291-F323 HydrophobicContact CG2-CE1 3.95Å; I291-F323 HydrophobicContact CG2-CG 4.23Å; L294-F323 HydrophobicContact CD2-CD1 4.06Å; L294-F323 HydrophobicContact CD2-CE1 3.74Å; T304-F323 HydrophobicContact CG2-CD1 4.22Å; T304-F323 HydrophobicContact CG2-CE1 4.35Å; L307-F323 HydrophobicContact CB-CZ 3.99Å; L307-F323 HydrophobicContact CD1-CE1 3.93Å; L307-F323 HydrophobicContact CD1-CZ 4.13Å; V308-F323 HydrophobicContact CG2-CE2 4.17Å; I318-F323 HydrophobicContact CD1-CE2 3.89Å; I318-F323 HydrophobicContact CD1-CZ 3.96Å; N319-F323 VanDerWaalsContact O-CD2 3.3Å; N319-F323 WeakPolarHBondContact O-CD2 3.23Å; W320-F323 PolarHBondContact O-N 2.88Å; W320-F323 VanDerWaalsContact O-N 3.15Å; F323-S327 VanDerWaalsContact O-CB 3.23Å; F323-S327 WeakPolarHBondContact O-CB 3.39Å; F323-S327 PolarHBondContact O-N 2.91Å |
| 324 | S | 93.8 | Very high | 96.6 | Very high | 21 Ų | 21 | 16.9 Ų | 16.9 | 15% | 0.147 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.7 | -51.7 | 179.6 | -168.2 | 0 | 0 | 0 | 0 | 111.5 | W320 D321 L326 S327 D328 | W320-S324 PolarHBondContact O-N 3.1Å; D321-S324 PolarHBondContact O-N 3.29Å; S324-L326 VanDerWaalsContact C-N 3.27Å; S324-L326 PolarHBondContact O-N 3.5Å; S324-S327 WeakPolarHBondContact O-CB 3.28Å; S324-S327 PolarHBondContact O-N 3.23Å; S324-S327 VanDerWaalsContact O-N 3.09Å; S324-D328 PolarHBondContact O-N 3.38Å; S324-D328 VanDerWaalsContact O-N 3.17Å |
| 325 | D | 95.1 | Very high | 96.3 | Very high | 33 Ų | 33 | 21.7 Ų | 21.7 | 18% | 0.176 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.8 | -32.8 | -177.8 | -79.4 | -26.8 | 0 | 0 | 0 | 112.6 | Q4 R7 V8 R11 D321 | Q4-D325 PolarHBondContact NE2-O 3Å; R7-D325 IonicContact NH2-OD1 3.23Å; R7-D325 IonicContact NH2-OD2 2.63Å; V8-D325 HydrophobicContact CG2-CB 3.59Å; R11-D325 IonicContact CZ-OD2 3.69Å; R11-D325 IonicContact NH1-OD2 3.88Å; R11-D325 PolarHBondContact NH1-OD2 3.32Å; R11-D325 IonicContact NH2-OD2 3.17Å; R11-D325 PolarHBondContact NH2-OD2 3.36Å; D321-D325 VanDerWaalsContact O-CB 3.27Å; D321-D325 WeakPolarHBondContact O-CB 3.37Å; D321-D325 VanDerWaalsContact O-CG 3.3Å; D321-D325 PolarHBondContact O-N 2.83Å |
| 326 | L | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -74.1 | -39 | 172.7 | -73.1 | 168.8 | 0 | 0 | 0 | 111.5 | L5 V8 V288 I291 L295 D322 S324 D328 V329 V330 | L5-L326 HydrophobicContact CB-CD2 4.2Å; L5-L326 HydrophobicContact CG-CD2 4.12Å; V8-L326 HydrophobicContact CB-CD2 4.16Å; V8-L326 HydrophobicContact CB-CG 4.23Å; V8-L326 HydrophobicContact CG1-CD1 3.98Å; V8-L326 HydrophobicContact CG1-CD2 4.3Å; V8-L326 HydrophobicContact CG1-CG 3.92Å; V8-L326 HydrophobicContact CG2-CD2 4.34Å; V8-L326 HydrophobicContact CG2-CG 4.25Å; V288-L326 HydrophobicContact CG1-CD1 4.23Å; V288-L326 HydrophobicContact CG1-CD2 4.35Å; I291-L326 HydrophobicContact CB-CD1 3.99Å; I291-L326 HydrophobicContact CD1-CD1 4.19Å; I291-L326 HydrophobicContact CG2-CB 4.44Å; I291-L326 HydrophobicContact CG2-CD1 3.59Å; L295-L326 HydrophobicContact CD1-CB 3.64Å; D322-L326 VanDerWaalsContact O-CB 3.29Å; D322-L326 WeakPolarHBondContact O-CB 3.34Å; D322-L326 WeakPolarHBondContact O-CD1 3.37Å; D322-L326 VanDerWaalsContact O-CG 3.23Å; D322-L326 WeakPolarHBondContact O-CG 3.44Å; D322-L326 PolarHBondContact O-N 2.81Å; S324-L326 VanDerWaalsContact C-N 3.27Å; S324-L326 PolarHBondContact O-N 3.5Å; L326-D328 PolarHBondContact O-N 3.06Å; L326-V329 WeakPolarHBondContact O-CG2 3.4Å; L326-V329 PolarHBondContact O-N 2.88Å; L326-V330 WeakPolarHBondContact O-CB 3.36Å; L326-V330 WeakPolarHBondContact O-CG2 3.42Å; L326-V330 PolarHBondContact O-N 3.04Å |
| 327 | S | 95 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.2 | -28.8 | 179 | -172.3 | 0 | 0 | 0 | 0 | 112.7 | F323 S324 V329 H417 G418 T420 | F323-S327 VanDerWaalsContact O-CB 3.23Å; F323-S327 WeakPolarHBondContact O-CB 3.39Å; F323-S327 PolarHBondContact O-N 2.91Å; S324-S327 WeakPolarHBondContact O-CB 3.28Å; S324-S327 PolarHBondContact O-N 3.23Å; S324-S327 VanDerWaalsContact O-N 3.09Å; S327-V329 PolarHBondContact O-N 2.82Å; S327-H417 VanDerWaalsContact O-CA 3.32Å; S327-H417 WeakPolarHBondContact O-CA 3.43Å; S327-H417 PolarHBondContact O-CD2 3.05Å; S327-H417 VanDerWaalsContact O-CD2 3.23Å; S327-H417 PolarHBondContact OG-CD2 2.79Å; S327-H417 PolarHBondContact OG-CE1 2.66Å; S327-H417 PolarHBondContact OG-ND1 2.91Å; S327-H417 PolarHBondContact OG-NE2 2.95Å; S327-G418 PolarHBondContact O-N 2.89Å; S327-G418 PolarHBondContact OG-N 3.09Å; S327-T420 WeakPolarHBondContact CB-O 3.38Å; S327-T420 PolarHBondContact OG-O 3Å |
| 328 | D | 93.1 | Very high | 94.8 | Very high | 74 Ų | 74 | 21 Ų | 21 | 40% | 0.396 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -16.3 | 175.7 | -69.4 | -24.9 | 0 | 0 | 0 | 113.8 | S324 L326 H417 K421 | S324-D328 PolarHBondContact O-N 3.38Å; S324-D328 VanDerWaalsContact O-N 3.17Å; L326-D328 PolarHBondContact O-N 3.06Å; D328-H417 IonicContact OD1-CD2 2.82Å; D328-H417 PolarHBondContact OD1-CD2 3.05Å; D328-H417 IonicContact OD1-NE2 2.66Å; D328-K421 IonicContact OD1-NZ 2.66Å; D328-K421 PolarHBondContact OD1-NZ 3.4Å; D328-K421 VanDerWaalsContact OD1-NZ 3.17Å |
| 329 | V | 95.7 | Very high | 94.2 | Very high | 36 Ų | 36 | 21.3 Ų | 21.3 | 22% | 0.218 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | -17.5 | -179.5 | -64.9 | 0 | 0 | 0 | 0 | 114.8 | Q4 L326 S327 P331 L365 | Q4-V329 HydrophobicContact CB-CB 4.41Å; Q4-V329 HydrophobicContact CB-CG1 3.69Å; Q4-V329 HydrophobicContact CB-CG2 4.03Å; Q4-V329 HydrophobicContact CG-CB 4.41Å; Q4-V329 HydrophobicContact CG-CG1 3.7Å; Q4-V329 HydrophobicContact CG-CG2 3.82Å; L326-V329 WeakPolarHBondContact O-CG2 3.4Å; L326-V329 PolarHBondContact O-N 2.88Å; S327-V329 PolarHBondContact O-N 2.82Å; V329-P331 WeakPolarHBondContact O-CD 3.17Å; V329-L365 HydrophobicContact CG2-CD2 4.36Å |
| 330 | V | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -90.4 | 112.6 | 175.4 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | V292 L295 A296 L326 L365 H417 G418 | V292-V330 HydrophobicContact CB-CG2 4.35Å; V292-V330 HydrophobicContact CG1-CG1 3.98Å; V292-V330 HydrophobicContact CG1-CG2 4.08Å; V292-V330 HydrophobicContact CG2-CG2 3.91Å; L295-V330 HydrophobicContact CB-CB 4.06Å; L295-V330 HydrophobicContact CB-CG1 3.74Å; L295-V330 HydrophobicContact CD1-CB 4.28Å; L295-V330 HydrophobicContact CD1-CG2 4.36Å; A296-V330 HydrophobicContact CB-CG1 3.83Å; L326-V330 WeakPolarHBondContact O-CB 3.36Å; L326-V330 WeakPolarHBondContact O-CG2 3.42Å; L326-V330 PolarHBondContact O-N 3.04Å; V330-L365 HydrophobicContact CG2-CD2 4.31Å; V330-H417 CarbonylContact O-C 3.52Å; V330-G418 WeakPolarHBondContact O-CA 3.45Å; V330-G418 PolarHBondContact O-N 3.18Å |
| 331 | P | 96.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.019 | 14% | 0.144 | C | C | . | . | trans | -75.8 | 153.4 | -179.6 | 29.6 | -32.6 | 0 | 0 | 0 | 112 | A296 V329 M333 L365 F410 P413 S415 | A296-P331 VanDerWaalsContact CA-O 3.31Å; A296-P331 WeakPolarHBondContact CA-O 3.49Å; V329-P331 WeakPolarHBondContact O-CD 3.17Å; P331-M333 HydrophobicContact CB-CG 4.36Å; P331-M333 HydrophobicContact CG-CG 3.9Å; P331-M333 HydrophobicContact CG-SD 4.09Å; P331-M333 PolarHBondContact O-N 3.32Å; P331-L365 HydrophobicContact CG-CD1 4.47Å; P331-F410 HydrophobicContact CG-CD2 3.7Å; P331-F410 HydrophobicContact CG-CE2 3.99Å; P331-P413 HydrophobicContact CB-CB 3.45Å; P331-P413 VanDerWaalsContact CB-CB 3.45Å; P331-P413 HydrophobicContact CB-CG 3.78Å; P331-P413 HydrophobicContact CG-CB 4.24Å; P331-S415 CarbonylContact C-O 3.57Å; P331-S415 VanDerWaalsContact CA-O 3.27Å; P331-S415 WeakPolarHBondContact CA-O 3.45Å; P331-S415 VanDerWaalsContact CB-O 3.26Å; P331-S415 WeakPolarHBondContact CB-O 3.37Å | ||
| 332 | L | 95.1 | Very high | 93.1 | Very high | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -73.3 | 110 | 167.3 | -177.2 | 66 | 0 | 0 | 0 | 109.5 | G298 F414 S415 | G298-L332 VanDerWaalsContact N-CD1 3.34Å; L332-F414 HydrophobicContact CD2-CB 4.3Å; L332-F414 HydrophobicContact CG-CB 4.38Å; L332-F414 WeakPolarHBondContact O-CB 3.36Å; L332-F414 PolarHBondContact O-N 3.17Å; L332-S415 PolarHBondContact N-O 2.82Å |
| 333 | M | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -110.4 | -10.8 | -177.1 | -53.9 | -162.6 | -24.6 | 0 | 0 | 114.1 | A296 P331 L356 E359 L360 I407 A408 F410 F414 | A296-M333 PolarHBondContact O-N 3.25Å; P331-M333 HydrophobicContact CB-CG 4.36Å; P331-M333 HydrophobicContact CG-CG 3.9Å; P331-M333 HydrophobicContact CG-SD 4.09Å; P331-M333 PolarHBondContact O-N 3.32Å; M333-L356 HydrophobicContact CB-CD2 3.74Å; M333-L356 HydrophobicContact CE-CD2 3.42Å; M333-L356 VanDerWaalsContact CE-CD2 3.42Å; M333-E359 HydrophobicContact CE-CB 3.68Å; M333-E359 HydrophobicContact SD-CB 4.39Å; M333-L360 HydrophobicContact CE-CD1 4.32Å; M333-L360 HydrophobicContact CE-CD2 4.02Å; M333-L360 HydrophobicContact CE-CG 3.73Å; M333-L360 HydrophobicContact SD-CD2 3.97Å; M333-L360 HydrophobicContact SD-CG 4.33Å; M333-I407 CarbonylContact O-C 3.59Å; M333-I407 WeakPolarHBondContact O-CA 3.47Å; M333-A408 PolarHBondContact O-N 3.09Å; M333-F410 HydrophobicContact SD-CB 4.25Å; M333-F414 VanDerWaalsContact O-CE2 3.31Å; M333-F414 WeakPolarHBondContact O-CE2 3.44Å | ||
| 334 | A | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -118.6 | 137 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A296 T297 L336 F347 V406 | A296-A334 PolarHBondContact O-N 3.48Å; A296-A334 VanDerWaalsContact O-N 3.16Å; T297-A334 HydrophobicContact CG2-CB 4.13Å; A334-L336 HydrophobicContact CB-CG 4.29Å; A334-F347 HydrophobicContact CB-CD2 4.5Å; A334-F347 HydrophobicContact CB-CE2 4.27Å; A334-V406 CarbonylContact C-O 3.55Å; A334-V406 WeakPolarHBondContact CA-O 3.19Å |
| 335 | R | 91.5 | Very high | 93 | Very high | 102 Ų | 102 | 24.1 Ų | 24.1 | 39% | 0.385 | 13% | 0.133 | S | C | . | . | trans | -115.6 | 77.4 | 175.8 | -94 | -174.5 | -177.9 | 173 | 4.7 | 111.7 | V406 F414 | R335-V406 PolarHBondContact N-O 2.87Å; R335-F414 HydrophobicContact CB-CD2 4.1Å; R335-F414 HydrophobicContact CB-CE2 3.75Å; R335-F414 HydrophobicContact CB-CZ 3.99Å; R335-F414 VanDerWaalsContact CD-CD1 3.46Å; R335-F414 HydrophobicContact CG-CB 4.33Å; R335-F414 HydrophobicContact CG-CD1 4.04Å; R335-F414 HydrophobicContact CG-CD2 3.54Å; R335-F414 HydrophobicContact CG-CE1 4.2Å; R335-F414 HydrophobicContact CG-CE2 3.71Å; R335-F414 HydrophobicContact CG-CG 3.7Å; R335-F414 HydrophobicContact CG-CZ 4.05Å; R335-F414 VanDerWaalsContact CZ-CD1 3.45Å; R335-F414 VanDerWaalsContact NE-CD1 3.32Å | ||
| 336 | L | 91.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -102.6 | 143.9 | 176.9 | -48.9 | -179.2 | 0 | 0 | 0 | 109.9 | Y224 A334 P338 N339 G340 A342 I344 F347 V406 | Y224-L336 HydrophobicContact CD1-CB 4.32Å; Y224-L336 HydrophobicContact CD1-CD1 4.13Å; Y224-L336 HydrophobicContact CD2-CD1 3.83Å; Y224-L336 HydrophobicContact CE2-CD1 4.38Å; Y224-L336 HydrophobicContact CG-CB 4.04Å; Y224-L336 HydrophobicContact CG-CD1 3.73Å; Y224-L336 HydrophobicContact CG-CG 4.48Å; A334-L336 HydrophobicContact CB-CG 4.29Å; L336-P338 CarbonylContact O-C 3.55Å; L336-N339 WeakPolarHBondContact O-CA 3.05Å; L336-N339 WeakPolarHBondContact O-CB 3.37Å; L336-N339 PolarHBondContact O-N 3.02Å; L336-G340 PolarHBondContact O-N 3.19Å; L336-A342 CarbonylContact C-O 3.6Å; L336-A342 WeakPolarHBondContact CA-O 3.4Å; L336-A342 HydrophobicContact CD2-CB 4.43Å; L336-I344 HydrophobicContact CD1-CD1 3.8Å; L336-F347 HydrophobicContact CD1-CB 4.16Å; L336-F347 HydrophobicContact CD1-CD2 4.11Å; L336-F347 HydrophobicContact CD1-CG 4Å; L336-F347 HydrophobicContact CD2-CB 3.48Å; L336-F347 VanDerWaalsContact CD2-CB 3.48Å; L336-F347 HydrophobicContact CD2-CD2 3.92Å; L336-F347 HydrophobicContact CD2-CG 3.96Å; L336-F347 HydrophobicContact CG-CB 4.44Å; L336-F347 HydrophobicContact CG-CD2 4.44Å; L336-V406 HydrophobicContact CD2-CG1 4.01Å |
| 337 | Y | 88.8 | Confident | 93 | Very high | 31 Ų | 31 | 26.4 Ų | 26.4 | 12% | 0.122 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 123.7 | 174.6 | 173.1 | -97.9 | 0 | 0 | 0 | 109.7 | N187 V191 F223 Y224 G340 A342 | N187-Y337 HydrophobicContact CB-CD1 3.31Å; N187-Y337 HydrophobicContact CB-CD2 3.64Å; N187-Y337 HydrophobicContact CB-CE1 3.52Å; N187-Y337 HydrophobicContact CB-CE2 3.81Å; N187-Y337 HydrophobicContact CB-CG 3.42Å; N187-Y337 VanDerWaalsContact CB-CG 3.42Å; N187-Y337 VanDerWaalsContact CG-CE1 3.45Å; N187-Y337 VanDerWaalsContact ND2-CD1 3.32Å; N187-Y337 WeakPolarHBondContact ND2-CD1 3.48Å; N187-Y337 WeakPolarHBondContact OD1-CE1 3.2Å; V191-Y337 HydrophobicContact CG2-CE2 4.13Å; V191-Y337 WeakPolarHBondContact CG2-OH 3.16Å; F223-Y337 HydrophobicContact CB-CD1 3.33Å; F223-Y337 HydrophobicContact CB-CE1 3.71Å; F223-Y337 HydrophobicContact CG-CD1 4.31Å; F223-Y337 HydrophobicContact CG-CE1 4.23Å; Y224-Y337 WeakPolarHBondContact CA-O 3.41Å; Y224-Y337 WeakPolarHBondContact CB-O 3.35Å; Y224-Y337 PolarHBondContact N-O 3.24Å; Y337-G340 WeakPolarHBondContact CA-O 3.37Å; Y337-G340 WeakPolarHBondContact CB-O 3.29Å; Y337-G340 PolarHBondContact N-O 2.94Å; Y337-G340 VanDerWaalsContact N-O 3.14Å; Y337-A342 PolarHBondContact N-O 2.84Å |
| 338 | P | 84.5 | Confident | 93.1 | Very high | 21 Ų | 21 | 28.9 Ų | 28.9 | 14% | 0.136 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -89 | -8.8 | 20.9 | 38.2 | -41.8 | 0 | 0 | 0 | 117.7 | L336 G340 G514 A515 | L336-P338 CarbonylContact O-C 3.55Å; P338-G340 VanDerWaalsContact C-N 3.27Å; P338-G340 PolarHBondContact O-N 3.15Å; P338-G514 WeakPolarHBondContact CG-O 3.3Å; P338-A515 WeakPolarHBondContact CB-O 3.41Å |
| 339 | N | 85.6 | Confident | 93.3 | Very high | 18 Ų | 18 | 28.6 Ų | 28.6 | 10% | 0.096 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -77.8 | -10.8 | -177.3 | -48 | -33.3 | 0 | 0 | 0 | 113.5 | T297 G298 L336 K433 | T297-N339 PolarHBondContact O-ND2 3.22Å; G298-N339 PolarHBondContact O-ND2 2.98Å; L336-N339 WeakPolarHBondContact O-CA 3.05Å; L336-N339 WeakPolarHBondContact O-CB 3.37Å; L336-N339 PolarHBondContact O-N 3.02Å; N339-K433 VanDerWaalsContact OD1-CE 3.24Å; N339-K433 WeakPolarHBondContact OD1-CE 3.48Å; N339-K433 PolarHBondContact OD1-NZ 3.42Å |
| 340 | G | 87.3 | Confident | 93.4 | Very high | 16 Ų | 16 | 27 Ų | 27 | 17% | 0.165 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -160.4 | 179.7 | 180 | 0 | 0 | 0 | 0 | 0 | 111.2 | L336 Y337 P338 | L336-G340 PolarHBondContact O-N 3.19Å; Y337-G340 WeakPolarHBondContact CA-O 3.37Å; Y337-G340 WeakPolarHBondContact CB-O 3.29Å; Y337-G340 PolarHBondContact N-O 2.94Å; Y337-G340 VanDerWaalsContact N-O 3.14Å; P338-G340 VanDerWaalsContact C-N 3.27Å; P338-G340 PolarHBondContact O-N 3.15Å |
| 341 | P | 88.1 | Confident | 93.4 | Very high | 120 Ų | 120 | 27.3 Ų | 27.3 | 78% | 0.779 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -80.6 | -23.5 | -179.4 | 30.7 | -34.1 | 0 | 0 | 0 | 113.8 | ||
| 342 | A | 93.1 | Very high | 93.4 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -70.8 | 147 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L336 Y337 H346 V406 | L336-A342 CarbonylContact C-O 3.6Å; L336-A342 WeakPolarHBondContact CA-O 3.4Å; L336-A342 HydrophobicContact CD2-CB 4.43Å; Y337-A342 PolarHBondContact N-O 2.84Å; A342-H346 HydrophobicContact CB-CB 4.08Å; A342-V406 HydrophobicContact CB-CG1 3.97Å; A342-V406 HydrophobicContact CB-CG2 3.78Å |
| 343 | D | 93.6 | Very high | 93.6 | Very high | 22 Ų | 22 | 27 Ų | 27 | 12% | 0.118 | 15% | 0.154 | C | C | . | . | trans | -97.5 | -178.5 | 169.7 | 69.9 | 17.2 | 0 | 0 | 0 | 111.2 | S183 T222 N345 H346 F347 | S183-D343 VanDerWaalsContact CB-OD2 3.23Å; S183-D343 WeakPolarHBondContact CB-OD2 3.29Å; S183-D343 VanDerWaalsContact OG-CG 3.3Å; S183-D343 PolarHBondContact OG-OD1 2.81Å; S183-D343 PolarHBondContact OG-OD2 3Å; T222-D343 WeakPolarHBondContact O-CB 3.12Å; D343-N345 PolarHBondContact O-N 3.43Å; D343-N345 WeakPolarHBondContact OD1-CB 3.27Å; D343-N345 PolarHBondContact OD1-N 3.44Å; D343-H346 PolarHBondContact O-N 3.47Å; D343-H346 PolarHBondContact OD1-N 3.26Å; D343-F347 PolarHBondContact O-N 3.24Å | ||
| 344 | I | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.9 | -21.5 | -177.1 | -157.5 | 62.9 | 0 | 0 | 0 | 113.6 | P180 T222 Y224 N228 F246 L336 F347 Q348 | P180-I344 HydrophobicContact CB-CG2 3.68Å; P180-I344 HydrophobicContact CG-CG2 3.96Å; T222-I344 WeakPolarHBondContact O-CB 3.31Å; T222-I344 WeakPolarHBondContact O-CG2 3.41Å; T222-I344 PolarHBondContact O-N 3.11Å; Y224-I344 HydrophobicContact CD2-CD1 4.1Å; N228-I344 HydrophobicContact CB-CD1 4.42Å; N228-I344 HydrophobicContact CB-CG1 4.41Å; F246-I344 HydrophobicContact CD1-CD1 4.16Å; F246-I344 HydrophobicContact CD1-CG1 3.38Å; F246-I344 HydrophobicContact CE1-CD1 3.66Å; F246-I344 HydrophobicContact CE1-CG1 3.31Å; F246-I344 HydrophobicContact CE2-CD1 4.28Å; F246-I344 HydrophobicContact CE2-CG1 4.49Å; F246-I344 HydrophobicContact CG-CG1 4.07Å; F246-I344 HydrophobicContact CZ-CD1 3.75Å; F246-I344 HydrophobicContact CZ-CG1 3.92Å; L336-I344 HydrophobicContact CD1-CD1 3.8Å; I344-F347 HydrophobicContact CD1-CB 4.3Å; I344-F347 HydrophobicContact CD1-CD1 3.77Å; I344-F347 HydrophobicContact CD1-CG 4.27Å; I344-F347 WeakPolarHBondContact O-CB 3.48Å; I344-Q348 PolarHBondContact O-N 3.34Å; I344-Q348 VanDerWaalsContact O-N 3.1Å |
| 345 | N | 96 | Very high | 93.8 | Very high | 19 Ų | 19 | 27.1 Ų | 27.1 | 10% | 0.102 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -79.2 | -41.2 | 177.6 | -58.6 | -40.2 | 0 | 0 | 0 | 109.7 | P180 M181 S183 H248 D343 F347 Q348 A349 | P180-N345 WeakPolarHBondContact CG-OD1 3.03Å; M181-N345 PolarHBondContact O-ND2 2.85Å; S183-N345 PolarHBondContact N-ND2 3.41Å; S183-N345 VanDerWaalsContact N-ND2 3.12Å; S183-N345 WeakPolarHBondContact OG-CB 3.3Å; S183-N345 PolarHBondContact OG-ND2 3.26Å; S183-N345 VanDerWaalsContact OG-ND2 3.08Å; H248-N345 PolarHBondContact CE1-OD1 3.46Å; D343-N345 PolarHBondContact O-N 3.43Å; D343-N345 WeakPolarHBondContact OD1-CB 3.27Å; D343-N345 PolarHBondContact OD1-N 3.44Å; N345-F347 VanDerWaalsContact C-N 3.31Å; N345-F347 PolarHBondContact O-N 3.29Å; N345-Q348 PolarHBondContact O-N 2.97Å; N345-A349 WeakPolarHBondContact O-CB 3.4Å; N345-A349 PolarHBondContact O-N 3.01Å |
| 346 | H | 96.5 | Very high | 94.1 | Very high | 81 Ų | 81 | 22.2 Ų | 22.2 | 38% | 0.375 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -64.3 | -37.2 | 171.9 | -169.2 | -171.5 | 0 | 0 | 0 | 111.5 | A342 D343 Q348 A349 A350 D403 | A342-H346 HydrophobicContact CB-CB 4.08Å; D343-H346 PolarHBondContact O-N 3.47Å; D343-H346 PolarHBondContact OD1-N 3.26Å; H346-Q348 PolarHBondContact O-N 3.23Å; H346-A349 PolarHBondContact O-N 3.01Å; H346-A350 WeakPolarHBondContact O-CB 2.95Å; H346-A350 PolarHBondContact O-N 3.28Å; H346-D403 IonicContact CE1-OD2 3.43Å; H346-D403 IonicContact NE2-OD2 2.75Å |
| 347 | F | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -53.2 | -52.7 | 168.9 | 174.9 | -111.8 | 0 | 0 | 0 | 112.6 | M232 F246 A334 L336 D343 I344 N345 A349 A350 G351 G352 V353 L356 V406 I407 | M232-F347 HydrophobicContact SD-CE1 3.77Å; M232-F347 HydrophobicContact SD-CZ 4.01Å; F246-F347 HydrophobicContact CD2-CD1 4.46Å; F246-F347 HydrophobicContact CD2-CE1 4.36Å; F246-F347 HydrophobicContact CE2-CD1 4.36Å; F246-F347 HydrophobicContact CE2-CE1 4.03Å; A334-F347 HydrophobicContact CB-CD2 4.5Å; A334-F347 HydrophobicContact CB-CE2 4.27Å; L336-F347 HydrophobicContact CD1-CB 4.16Å; L336-F347 HydrophobicContact CD1-CD2 4.11Å; L336-F347 HydrophobicContact CD1-CG 4Å; L336-F347 HydrophobicContact CD2-CB 3.48Å; L336-F347 VanDerWaalsContact CD2-CB 3.48Å; L336-F347 HydrophobicContact CD2-CD2 3.92Å; L336-F347 HydrophobicContact CD2-CG 3.96Å; L336-F347 HydrophobicContact CG-CB 4.44Å; L336-F347 HydrophobicContact CG-CD2 4.44Å; D343-F347 PolarHBondContact O-N 3.24Å; I344-F347 HydrophobicContact CD1-CB 4.3Å; I344-F347 HydrophobicContact CD1-CD1 3.77Å; I344-F347 HydrophobicContact CD1-CG 4.27Å; I344-F347 WeakPolarHBondContact O-CB 3.48Å; N345-F347 VanDerWaalsContact C-N 3.31Å; N345-F347 PolarHBondContact O-N 3.29Å; F347-A349 VanDerWaalsContact C-N 3.31Å; F347-A349 PolarHBondContact O-N 3.23Å; F347-A350 PolarHBondContact O-N 3.28Å; F347-A350 VanDerWaalsContact O-N 3.17Å; F347-G351 PolarHBondContact O-N 3.5Å; F347-G352 WeakPolarHBondContact O-CA 3.43Å; F347-G352 PolarHBondContact O-N 3.38Å; F347-V353 HydrophobicContact CE1-CG2 4.32Å; F347-L356 HydrophobicContact CE2-CD1 3.65Å; F347-L356 HydrophobicContact CE2-CG 4.14Å; F347-L356 HydrophobicContact CZ-CD1 3.52Å; F347-L356 HydrophobicContact CZ-CG 4.18Å; F347-V406 HydrophobicContact CB-CG1 4.46Å; F347-I407 HydrophobicContact CD2-CD1 3.68Å; F347-I407 HydrophobicContact CD2-CG1 3.73Å; F347-I407 HydrophobicContact CE2-CD1 3.49Å; F347-I407 VanDerWaalsContact CE2-CD1 3.49Å; F347-I407 HydrophobicContact CE2-CG1 3.72Å; F347-I407 HydrophobicContact CZ-CD1 4.33Å |
| 348 | Q | 97 | Very high | 94.8 | Very high | 52 Ų | 52 | 23.5 Ų | 23.5 | 24% | 0.243 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.5 | -42.3 | -178.3 | -173.8 | 62.1 | 14.5 | 0 | 0 | 110.9 | F246 I344 N345 H346 A350 G351 G352 | F246-Q348 HydrophobicContact CB-CB 4.23Å; F246-Q348 HydrophobicContact CB-CG 4.09Å; I344-Q348 PolarHBondContact O-N 3.34Å; I344-Q348 VanDerWaalsContact O-N 3.1Å; N345-Q348 PolarHBondContact O-N 2.97Å; H346-Q348 PolarHBondContact O-N 3.23Å; Q348-A350 VanDerWaalsContact C-N 3.31Å; Q348-A350 PolarHBondContact O-N 3.33Å; Q348-G351 PolarHBondContact O-N 3.11Å; Q348-G351 VanDerWaalsContact O-N 3.15Å; Q348-G352 PolarHBondContact O-N 3.1Å |
| 349 | A | 97 | Very high | 95.4 | Very high | 68 Ų | 68 | 23.5 Ų | 23.5 | 56% | 0.562 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -65.5 | -30.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N345 H346 F347 G351 | N345-A349 WeakPolarHBondContact O-CB 3.4Å; N345-A349 PolarHBondContact O-N 3.01Å; H346-A349 PolarHBondContact O-N 3.01Å; F347-A349 VanDerWaalsContact C-N 3.31Å; F347-A349 PolarHBondContact O-N 3.23Å; A349-G351 PolarHBondContact O-N 3.3Å |
| 350 | A | 97.7 | Very high | 96 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 2% | 0.017 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -7.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H346 F347 Q348 S401 L402 D403 V406 I407 | H346-A350 WeakPolarHBondContact O-CB 2.95Å; H346-A350 PolarHBondContact O-N 3.28Å; F347-A350 PolarHBondContact O-N 3.28Å; F347-A350 VanDerWaalsContact O-N 3.17Å; Q348-A350 VanDerWaalsContact C-N 3.31Å; Q348-A350 PolarHBondContact O-N 3.33Å; A350-S401 WeakPolarHBondContact O-CA 3.27Å; A350-L402 PolarHBondContact O-N 3Å; A350-D403 HydrophobicContact CB-CB 4.16Å; A350-V406 HydrophobicContact CB-CB 4Å; A350-V406 HydrophobicContact CB-CG1 4.06Å; A350-I407 HydrophobicContact CB-CD1 4.04Å; A350-I407 HydrophobicContact CB-CG1 4.16Å |
| 351 | G | 97.4 | Very high | 96.5 | Very high | 8 Ų | 8 | 23.6 Ų | 23.6 | 8% | 0.082 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 127.7 | -12.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F347 Q348 A349 P354 | F347-G351 PolarHBondContact O-N 3.5Å; Q348-G351 PolarHBondContact O-N 3.11Å; Q348-G351 VanDerWaalsContact O-N 3.15Å; A349-G351 PolarHBondContact O-N 3.3Å; G351-P354 WeakPolarHBondContact O-CD 3.38Å |
| 352 | G | 96.9 | Very high | 97 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | 58.7 | -150.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | F347 Q348 V355 L356 I407 | F347-G352 WeakPolarHBondContact O-CA 3.43Å; F347-G352 PolarHBondContact O-N 3.38Å; Q348-G352 PolarHBondContact O-N 3.1Å; G352-V355 PolarHBondContact O-N 2.87Å; G352-L356 PolarHBondContact O-N 3.13Å; G352-I407 VanDerWaalsContact N-CD1 3.29Å |
| 353 | V | 97.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -53.8 | -45 | 178.3 | 171.8 | 0 | 0 | 0 | 0 | 112.7 | M232 E235 F236 F246 F347 V355 L356 V357 | M232-V353 HydrophobicContact CE-CG2 4.12Å; M232-V353 HydrophobicContact SD-CG2 3.6Å; M232-V353 VanDerWaalsContact SD-CG2 3.6Å; E235-V353 HydrophobicContact CG-CG1 4.19Å; F236-V353 HydrophobicContact CD2-CG1 4.39Å; F236-V353 HydrophobicContact CE2-CG1 3.9Å; F246-V353 HydrophobicContact CD2-CG2 4.29Å; F246-V353 HydrophobicContact CE2-CG2 3.82Å; F347-V353 HydrophobicContact CE1-CG2 4.32Å; V353-V355 VanDerWaalsContact C-N 3.34Å; V353-V355 PolarHBondContact O-N 2.52Å; V353-L356 PolarHBondContact O-N 3.06Å; V353-L356 VanDerWaalsContact O-N 3.17Å; V353-V357 HydrophobicContact CG1-CG2 3.79Å; V353-V357 WeakPolarHBondContact O-CG2 3.45Å; V353-V357 PolarHBondContact O-N 3.22Å |
| 354 | P | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -53.6 | -45.1 | -178.8 | -32.5 | 38.1 | 0 | 0 | 0 | 115.1 | G351 R358 E384 | G351-P354 WeakPolarHBondContact O-CD 3.38Å; P354-R358 WeakPolarHBondContact O-CB 3.37Å; P354-R358 PolarHBondContact O-N 3.12Å; P354-R358 VanDerWaalsContact O-N 3.07Å; P354-E384 HydrophobicContact CG-CB 4.5Å |
| 355 | V | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.5 | -45.6 | 179.4 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | G352 V353 R358 E359 A398 I407 | G352-V355 PolarHBondContact O-N 2.87Å; V353-V355 VanDerWaalsContact C-N 3.34Å; V353-V355 PolarHBondContact O-N 2.52Å; V355-R358 PolarHBondContact O-N 3.07Å; V355-E359 HydrophobicContact CG1-CG 4.43Å; V355-E359 WeakPolarHBondContact O-CB 3.23Å; V355-E359 WeakPolarHBondContact O-CG 3.44Å; V355-E359 PolarHBondContact O-N 2.86Å; V355-A398 HydrophobicContact CG2-CB 3.76Å; V355-A398 VanDerWaalsContact CG2-O 3.31Å; V355-A398 WeakPolarHBondContact CG2-O 3.23Å; V355-I407 HydrophobicContact CB-CG2 4.44Å; V355-I407 HydrophobicContact CG1-CG2 3.8Å |
| 356 | L | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 179.6 | -73.9 | -176.8 | 0 | 0 | 0 | 112.1 | M232 F236 T297 M333 F347 G352 V353 R358 E359 L360 I407 | M232-L356 HydrophobicContact CE-CD1 3.97Å; F236-L356 HydrophobicContact CZ-CB 4Å; T297-L356 HydrophobicContact CG2-CD1 3.63Å; M333-L356 HydrophobicContact CB-CD2 3.74Å; M333-L356 HydrophobicContact CE-CD2 3.42Å; M333-L356 VanDerWaalsContact CE-CD2 3.42Å; F347-L356 HydrophobicContact CE2-CD1 3.65Å; F347-L356 HydrophobicContact CE2-CG 4.14Å; F347-L356 HydrophobicContact CZ-CD1 3.52Å; F347-L356 HydrophobicContact CZ-CG 4.18Å; G352-L356 PolarHBondContact O-N 3.13Å; V353-L356 PolarHBondContact O-N 3.06Å; V353-L356 VanDerWaalsContact O-N 3.17Å; L356-R358 VanDerWaalsContact C-N 3.32Å; L356-R358 PolarHBondContact O-N 3.45Å; L356-E359 PolarHBondContact O-N 3.34Å; L356-L360 WeakPolarHBondContact O-CB 3.39Å; L356-L360 WeakPolarHBondContact O-CD1 3.32Å; L356-L360 VanDerWaalsContact O-CG 3.28Å; L356-L360 WeakPolarHBondContact O-CG 3.26Å; L356-L360 PolarHBondContact O-N 3.1Å; L356-I407 HydrophobicContact CD2-CG2 3.75Å; L356-I407 HydrophobicContact CG-CG2 4.24Å |
| 357 | V | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 179.2 | 172 | 0 | 0 | 0 | 0 | 110.1 | F236 V353 L360 L361 L366 L378 T382 | F236-V357 HydrophobicContact CD2-CG2 4.22Å; F236-V357 HydrophobicContact CE1-CG2 4.05Å; F236-V357 HydrophobicContact CE2-CG2 3.62Å; F236-V357 HydrophobicContact CZ-CG2 3.52Å; V353-V357 HydrophobicContact CG1-CG2 3.79Å; V353-V357 WeakPolarHBondContact O-CG2 3.45Å; V353-V357 PolarHBondContact O-N 3.22Å; V357-L360 PolarHBondContact O-N 2.7Å; V357-L361 HydrophobicContact CG1-CD1 3.65Å; V357-L361 HydrophobicContact CG1-CG 4.24Å; V357-L361 VanDerWaalsContact O-CB 3.31Å; V357-L361 WeakPolarHBondContact O-CB 3.29Å; V357-L361 VanDerWaalsContact O-CG 3.26Å; V357-L361 WeakPolarHBondContact O-CG 3.45Å; V357-L361 PolarHBondContact O-N 3.33Å; V357-L366 HydrophobicContact CG1-CD1 4.43Å; V357-L378 HydrophobicContact CG1-CG 4.44Å; V357-T382 HydrophobicContact CB-CG2 4.33Å; V357-T382 HydrophobicContact CG1-CG2 3.91Å |
| 358 | R | 97.8 | Very high | 97.8 | Very high | 58 Ų | 58 | 23 Ų | 23 | 22% | 0.219 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.7 | -50.3 | 178.5 | -172 | -175.2 | -54.7 | -92.2 | -3.7 | 112.1 | P354 V355 L356 L361 K362 T382 E396 | P354-R358 WeakPolarHBondContact O-CB 3.37Å; P354-R358 PolarHBondContact O-N 3.12Å; P354-R358 VanDerWaalsContact O-N 3.07Å; V355-R358 PolarHBondContact O-N 3.07Å; L356-R358 VanDerWaalsContact C-N 3.32Å; L356-R358 PolarHBondContact O-N 3.45Å; R358-L361 PolarHBondContact O-N 3.1Å; R358-K362 VanDerWaalsContact O-CB 3.31Å; R358-K362 WeakPolarHBondContact O-CB 3.24Å; R358-K362 PolarHBondContact O-N 2.77Å; R358-T382 HydrophobicContact CB-CG2 3.99Å; R358-E396 IonicContact CZ-OE1 3.77Å; R358-E396 IonicContact NH1-OE1 3.39Å; R358-E396 PolarHBondContact NH1-OE1 3.44Å; R358-E396 IonicContact NH2-OE1 2.64Å; R358-E396 PolarHBondContact NH2-OE1 2.96Å |
| 359 | E | 97.7 | Very high | 97.9 | Very high | 21 Ų | 21 | 24.2 Ų | 24.2 | 10% | 0.098 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | -178.7 | -77.7 | -68.2 | 116.2 | 0 | 0 | 111.8 | M333 V355 L356 K362 A363 S409 F410 | M333-E359 HydrophobicContact CE-CB 3.68Å; M333-E359 HydrophobicContact SD-CB 4.39Å; V355-E359 HydrophobicContact CG1-CG 4.43Å; V355-E359 WeakPolarHBondContact O-CB 3.23Å; V355-E359 WeakPolarHBondContact O-CG 3.44Å; V355-E359 PolarHBondContact O-N 2.86Å; L356-E359 PolarHBondContact O-N 3.34Å; E359-K362 PolarHBondContact O-N 2.65Å; E359-A363 WeakPolarHBondContact O-CB 3.34Å; E359-A363 PolarHBondContact O-N 2.63Å; E359-S409 WeakPolarHBondContact OE2-CA 3.43Å; E359-S409 WeakPolarHBondContact OE2-CB 3.24Å; E359-F410 PolarHBondContact OE2-N 3.26Å |
| 360 | L | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -71.1 | -37 | 179.1 | -68.1 | 166 | 0 | 0 | 0 | 112.6 | F236 V292 A296 M333 L356 V357 A363 G364 L365 L366 | F236-L360 HydrophobicContact CE1-CD1 3.7Å; F236-L360 HydrophobicContact CZ-CD1 4.21Å; V292-L360 HydrophobicContact CG1-CD1 4.11Å; V292-L360 HydrophobicContact CG1-CD2 4.25Å; A296-L360 HydrophobicContact CB-CD1 3.83Å; A296-L360 HydrophobicContact CB-CD2 4.16Å; M333-L360 HydrophobicContact CE-CD1 4.32Å; M333-L360 HydrophobicContact CE-CD2 4.02Å; M333-L360 HydrophobicContact CE-CG 3.73Å; M333-L360 HydrophobicContact SD-CD2 3.97Å; M333-L360 HydrophobicContact SD-CG 4.33Å; L356-L360 WeakPolarHBondContact O-CB 3.39Å; L356-L360 WeakPolarHBondContact O-CD1 3.32Å; L356-L360 VanDerWaalsContact O-CG 3.28Å; L356-L360 WeakPolarHBondContact O-CG 3.26Å; L356-L360 PolarHBondContact O-N 3.1Å; V357-L360 PolarHBondContact O-N 2.7Å; L360-A363 PolarHBondContact O-N 3.13Å; L360-G364 PolarHBondContact O-N 2.9Å; L360-L365 HydrophobicContact CB-CB 4.37Å; L360-L365 HydrophobicContact CD2-CB 4.01Å; L360-L365 HydrophobicContact CD2-CD1 3.92Å; L360-L365 PolarHBondContact O-N 2.88Å; L360-L366 HydrophobicContact CB-CD1 3.51Å; L360-L366 HydrophobicContact CB-CG 3.76Å; L360-L366 HydrophobicContact CD1-CD1 4.12Å; L360-L366 HydrophobicContact CD1-CG 4.49Å; L360-L366 HydrophobicContact CG-CD1 4.48Å |
| 361 | L | 98.1 | Very high | 97.9 | Very high | 36 Ų | 36 | 23 Ų | 23 | 19% | 0.188 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 172.3 | -77.5 | 171.3 | 0 | 0 | 0 | 111.3 | V357 R358 A363 G364 L366 E368 | V357-L361 HydrophobicContact CG1-CD1 3.65Å; V357-L361 HydrophobicContact CG1-CG 4.24Å; V357-L361 VanDerWaalsContact O-CB 3.31Å; V357-L361 WeakPolarHBondContact O-CB 3.29Å; V357-L361 VanDerWaalsContact O-CG 3.26Å; V357-L361 WeakPolarHBondContact O-CG 3.45Å; V357-L361 PolarHBondContact O-N 3.33Å; R358-L361 PolarHBondContact O-N 3.1Å; L361-A363 VanDerWaalsContact C-N 3.26Å; L361-A363 PolarHBondContact O-N 2.88Å; L361-G364 WeakPolarHBondContact O-CA 3.29Å; L361-G364 PolarHBondContact O-N 3.16Å; L361-L366 HydrophobicContact CD2-CB 3.75Å; L361-L366 HydrophobicContact CG-CB 4.21Å; L361-L366 HydrophobicContact CG-CD1 4.27Å; L361-E368 WeakPolarHBondContact CD1-OE2 3.35Å; L361-E368 HydrophobicContact CD2-CB 3.84Å; L361-E368 VanDerWaalsContact CD2-OE2 3.25Å; L361-E368 WeakPolarHBondContact CD2-OE2 3.45Å |
| 362 | K | 96.9 | Very high | 98 | Very high | 138 Ų | 138 | 22.8 Ų | 22.8 | 60% | 0.6 | 11% | 0.113 | S | C | * | . | H | α-helix | trans | -57.9 | -40 | 175.7 | -179.2 | -169.1 | 176.2 | -156.7 | 0 | 111.7 | R358 E359 G364 E411 | R358-K362 VanDerWaalsContact O-CB 3.31Å; R358-K362 WeakPolarHBondContact O-CB 3.24Å; R358-K362 PolarHBondContact O-N 2.77Å; E359-K362 PolarHBondContact O-N 2.65Å; K362-G364 PolarHBondContact O-N 3.27Å; K362-E411 IonicContact NZ-OE1 2.8Å; K362-E411 PolarHBondContact NZ-OE1 3.16Å |
| 363 | A | 96.9 | Very high | 98 | Very high | 23 Ų | 23 | 22.8 Ų | 22.8 | 19% | 0.19 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -7.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E359 L360 L361 L365 F410 | E359-A363 WeakPolarHBondContact O-CB 3.34Å; E359-A363 PolarHBondContact O-N 2.63Å; L360-A363 PolarHBondContact O-N 3.13Å; L361-A363 VanDerWaalsContact C-N 3.26Å; L361-A363 PolarHBondContact O-N 2.88Å; A363-L365 VanDerWaalsContact C-N 3.28Å; A363-L365 HydrophobicContact CB-CB 4.41Å; A363-L365 HydrophobicContact CB-CD1 3.99Å; A363-L365 HydrophobicContact CB-CG 3.99Å; A363-L365 PolarHBondContact O-N 2.8Å; A363-F410 HydrophobicContact CB-CB 4.24Å; A363-F410 HydrophobicContact CB-CD1 3.77Å; A363-F410 HydrophobicContact CB-CD2 3.43Å; A363-F410 VanDerWaalsContact CB-CD2 3.43Å; A363-F410 HydrophobicContact CB-CE1 3.96Å; A363-F410 HydrophobicContact CB-CE2 3.66Å; A363-F410 HydrophobicContact CB-CG 3.51Å; A363-F410 HydrophobicContact CB-CZ 3.91Å |
| 364 | G | 98.1 | Very high | 98 | Very high | 7 Ų | 7 | 23.9 Ų | 23.9 | 7% | 0.072 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 39.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1 N2 L360 L361 K362 | M1-G364 WeakPolarHBondContact CE-O 3.15Å; M1-G364 VanDerWaalsContact SD-C 3.56Å; M1-G364 WeakPolarHBondContact SD-CA 3.39Å; M1-G364 VanDerWaalsContact SD-O 3.42Å; N2-G364 WeakPolarHBondContact CB-O 3.39Å; N2-G364 PolarHBondContact N-O 3.16Å; L360-G364 PolarHBondContact O-N 2.9Å; L361-G364 WeakPolarHBondContact O-CA 3.29Å; L361-G364 PolarHBondContact O-N 3.16Å; K362-G364 PolarHBondContact O-N 3.27Å |
| 365 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -105.9 | 1.9 | 175.9 | -72 | 176.5 | 0 | 0 | 0 | 112.9 | N2 L5 V292 V329 V330 P331 L360 A363 F410 | N2-L365 HydrophobicContact CB-CD2 3.85Å; L5-L365 HydrophobicContact CD1-CB 4.49Å; L5-L365 HydrophobicContact CD1-CD2 4.45Å; L5-L365 WeakPolarHBondContact CD1-O 3.47Å; V292-L365 WeakPolarHBondContact CG1-O 3.46Å; V292-L365 VanDerWaalsContact CG2-O 3.31Å; V292-L365 WeakPolarHBondContact CG2-O 3.41Å; V329-L365 HydrophobicContact CG2-CD2 4.36Å; V330-L365 HydrophobicContact CG2-CD2 4.31Å; P331-L365 HydrophobicContact CG-CD1 4.47Å; L360-L365 HydrophobicContact CB-CB 4.37Å; L360-L365 HydrophobicContact CD2-CB 4.01Å; L360-L365 HydrophobicContact CD2-CD1 3.92Å; L360-L365 PolarHBondContact O-N 2.88Å; A363-L365 VanDerWaalsContact C-N 3.28Å; A363-L365 HydrophobicContact CB-CB 4.41Å; A363-L365 HydrophobicContact CB-CD1 3.99Å; A363-L365 HydrophobicContact CB-CG 3.99Å; A363-L365 PolarHBondContact O-N 2.8Å; L365-F410 HydrophobicContact CD1-CD2 3.93Å; L365-F410 HydrophobicContact CD1-CE2 3.62Å | ||
| 366 | L | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -128.4 | 143.2 | 169.8 | -70.3 | 169 | 0 | 0 | 0 | 109.3 | F236 N289 V292 V357 L360 L361 E368 L378 | F236-L366 HydrophobicContact CD1-CD1 4.14Å; F236-L366 HydrophobicContact CD1-CD2 3.93Å; F236-L366 HydrophobicContact CE1-CD1 3.82Å; F236-L366 HydrophobicContact CE1-CD2 4.22Å; N289-L366 HydrophobicContact CB-CD2 3.85Å; N289-L366 WeakPolarHBondContact OD1-CA 3.48Å; V292-L366 HydrophobicContact CB-CD2 3.94Å; V292-L366 HydrophobicContact CG1-CD2 3.73Å; V292-L366 HydrophobicContact CG1-CG 4.3Å; V357-L366 HydrophobicContact CG1-CD1 4.43Å; L360-L366 HydrophobicContact CB-CD1 3.51Å; L360-L366 HydrophobicContact CB-CG 3.76Å; L360-L366 HydrophobicContact CD1-CD1 4.12Å; L360-L366 HydrophobicContact CD1-CG 4.49Å; L360-L366 HydrophobicContact CG-CD1 4.48Å; L361-L366 HydrophobicContact CD2-CB 3.75Å; L361-L366 HydrophobicContact CG-CB 4.21Å; L361-L366 HydrophobicContact CG-CD1 4.27Å; L366-E368 PolarHBondContact O-N 3.1Å; L366-L378 HydrophobicContact CB-CD2 3.87Å; L366-L378 HydrophobicContact CD1-CD2 3.81Å; L366-L378 HydrophobicContact CD2-CD2 4.24Å; L366-L378 HydrophobicContact CG-CD2 4.19Å |
| 367 | H | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | trans | -74.2 | 113.2 | 167.2 | -65.5 | -78.5 | 0 | 0 | 0 | 108.9 | L5 T9 K285 N289 V370 | L5-H367 VanDerWaalsContact CD2-CE1 3.47Å; L5-H367 WeakPolarHBondContact CD2-CE1 3.32Å; L5-H367 WeakPolarHBondContact CD2-NE2 3.34Å; T9-H367 WeakPolarHBondContact CG2-NE2 3.41Å; T9-H367 PolarHBondContact OG1-CE1 3.01Å; T9-H367 PolarHBondContact OG1-NE2 3.36Å; K285-H367 HydrophobicContact CB-CB 3.82Å; K285-H367 HydrophobicContact CD-CB 4.15Å; K285-H367 HydrophobicContact CG-CB 4.26Å; N289-H367 PolarHBondContact ND2-O 3.01Å; N289-H367 PolarHBondContact OD1-N 3.03Å; H367-V370 HydrophobicContact CB-CG1 3.98Å | ||
| 368 | E | 98.4 | Very high | 97.9 | Very high | 62 Ų | 62 | 30.8 Ų | 30.8 | 29% | 0.29 | 16% | 0.161 | S | C | . | . | trans | -74.9 | -33.5 | 176.2 | 176.4 | 52.1 | -161.4 | 0 | 0 | 112 | L361 L366 V370 G377 L378 S379 | L361-E368 WeakPolarHBondContact CD1-OE2 3.35Å; L361-E368 HydrophobicContact CD2-CB 3.84Å; L361-E368 VanDerWaalsContact CD2-OE2 3.25Å; L361-E368 WeakPolarHBondContact CD2-OE2 3.45Å; L366-E368 PolarHBondContact O-N 3.1Å; E368-V370 PolarHBondContact O-N 3.42Å; E368-G377 VanDerWaalsContact O-CA 3.32Å; E368-G377 WeakPolarHBondContact O-CA 3.48Å; E368-G377 WeakPolarHBondContact OE1-CA 3.49Å; E368-L378 PolarHBondContact O-N 2.93Å; E368-L378 VanDerWaalsContact O-N 3.08Å; E368-L378 PolarHBondContact OE1-N 2.96Å; E368-L378 WeakPolarHBondContact OE2-CA 3.49Å; E368-L378 WeakPolarHBondContact OE2-CB 3.34Å; E368-L378 PolarHBondContact OE2-N 2.89Å; E368-S379 VanDerWaalsContact CD-N 3.28Å; E368-S379 WeakPolarHBondContact OE1-CB 3.5Å; E368-S379 PolarHBondContact OE1-N 3.39Å; E368-S379 PolarHBondContact OE1-OG 2.74Å; E368-S379 PolarHBondContact OE2-N 2.78Å | ||
| 369 | D | 98.4 | Very high | 97.9 | Very high | 76 Ų | 76 | 30.6 Ų | 30.6 | 41% | 0.406 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -83.8 | 57 | -171.5 | 62.8 | -36 | 0 | 0 | 0 | 112.3 | K285 F376 | K285-D369 VanDerWaalsContact NZ-CG 3.31Å; K285-D369 IonicContact NZ-OD1 3.83Å; K285-D369 IonicContact NZ-OD2 2.85Å; K285-D369 PolarHBondContact NZ-OD2 3.22Å; D369-F376 HydrophobicContact CB-CZ 3.9Å |
| 370 | V | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | trans | -124.1 | 151.9 | -179.7 | -64.1 | 0 | 0 | 0 | 0 | 111.8 | K285 V286 H367 E368 T372 G377 L378 | K285-V370 HydrophobicContact CB-CG1 3.73Å; K285-V370 HydrophobicContact CD-CG1 4.33Å; V286-V370 HydrophobicContact CG2-CB 3.8Å; V286-V370 HydrophobicContact CG2-CG1 3.83Å; V286-V370 HydrophobicContact CG2-CG2 4.45Å; H367-V370 HydrophobicContact CB-CG1 3.98Å; E368-V370 PolarHBondContact O-N 3.42Å; V370-T372 HydrophobicContact CG2-CG2 4.27Å; V370-G377 PolarHBondContact O-N 3.39Å; V370-L378 HydrophobicContact CG2-CB 3.99Å; V370-L378 HydrophobicContact CG2-CD1 4.33Å | ||
| 371 | N | 98 | Very high | 98 | Very high | 42 Ų | 42 | 34.9 Ų | 34.9 | 23% | 0.225 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 143.6 | 168.6 | -70.9 | -64.3 | 0 | 0 | 0 | 110.1 | M276 M281 | M276-N371 HydrophobicContact CE-CB 3.87Å; M276-N371 WeakPolarHBondContact CE-OD1 3.14Å; M276-N371 HydrophobicContact SD-CB 3.79Å; M281-N371 HydrophobicContact CG-CB 4.21Å; M281-N371 WeakPolarHBondContact CG-O 3.31Å |
| 372 | T | 98.3 | Very high | 98 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 169.6 | 175.9 | 78.5 | 0 | 0 | 0 | 0 | 109.8 | V370 A374 G375 L378 Y381 | V370-T372 HydrophobicContact CG2-CG2 4.27Å; T372-A374 PolarHBondContact O-N 3.23Å; T372-A374 VanDerWaalsContact O-N 3.11Å; T372-A374 PolarHBondContact OG1-N 3.48Å; T372-G375 PolarHBondContact N-O 2.96Å; T372-G375 VanDerWaalsContact N-O 3.13Å; T372-G375 PolarHBondContact O-N 2.84Å; T372-G375 PolarHBondContact OG1-N 3.03Å; T372-G375 PolarHBondContact OG1-O 3.14Å; T372-L378 HydrophobicContact CG2-CD1 4.32Å; T372-Y381 HydrophobicContact CG2-CD2 4.46Å; T372-Y381 HydrophobicContact CG2-CE2 3.71Å |
| 373 | V | 97.8 | Very high | 98 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17.4 | 171.8 | -59.3 | 0 | 0 | 0 | 0 | 112.6 | V174 G238 Q240 L241 Q264 M268 M281 | V174-V373 HydrophobicContact CB-CG1 4.48Å; V174-V373 HydrophobicContact CG2-CB 4.18Å; V174-V373 HydrophobicContact CG2-CG1 3.87Å; G238-V373 WeakPolarHBondContact O-CG1 3.19Å; G238-V373 WeakPolarHBondContact O-CG2 3.27Å; G238-V373 PolarHBondContact O-N 3.1Å; Q240-V373 VanDerWaalsContact O-CG2 3.3Å; Q240-V373 WeakPolarHBondContact O-CG2 3.38Å; L241-V373 HydrophobicContact CD2-CG2 4.44Å; Q264-V373 VanDerWaalsContact CD-O 3.29Å; Q264-V373 WeakPolarHBondContact CG-O 3.41Å; Q264-V373 PolarHBondContact NE2-O 3.48Å; M268-V373 HydrophobicContact CE-CG1 4.32Å; M268-V373 HydrophobicContact SD-CB 4.22Å; M268-V373 HydrophobicContact SD-CG1 4.36Å; M281-V373 HydrophobicContact CE-CG1 4.05Å; M281-V373 HydrophobicContact SD-CG1 3.83Å |
| 374 | A | 97 | Very high | 98.1 | Very high | 24 Ų | 24 | 30.5 Ų | 30.5 | 20% | 0.198 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 3.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P242 T372 R380 Y381 | P242-A374 HydrophobicContact CG-CB 3.81Å; T372-A374 PolarHBondContact O-N 3.23Å; T372-A374 VanDerWaalsContact O-N 3.11Å; T372-A374 PolarHBondContact OG1-N 3.48Å; A374-R380 HydrophobicContact CB-CB 4.31Å; A374-R380 WeakPolarHBondContact O-CD 3.44Å; A374-R380 PolarHBondContact O-NE 2.89Å; A374-Y381 HydrophobicContact CB-CE2 4.39Å |
| 375 | G | 96 | Very high | 98.1 | Very high | 25 Ų | 25 | 30.8 Ų | 30.8 | 26% | 0.258 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 103.5 | -177.3 | -173 | 0 | 0 | 0 | 0 | 0 | 112.8 | T372 | T372-G375 PolarHBondContact N-O 2.96Å; T372-G375 VanDerWaalsContact N-O 3.13Å; T372-G375 PolarHBondContact O-N 2.84Å; T372-G375 PolarHBondContact OG1-N 3.03Å; T372-G375 PolarHBondContact OG1-O 3.14Å |
| 376 | F | 97.2 | Very high | 98 | Very high | 119 Ų | 119 | 34.4 Ų | 34.4 | 52% | 0.522 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 139.7 | 179.5 | -172.5 | -98.4 | 0 | 0 | 0 | 111.9 | D369 R380 | D369-F376 HydrophobicContact CB-CZ 3.9Å; F376-R380 PolarHBondContact O-NE 3.15Å |
| 377 | G | 98.2 | Very high | 98 | Very high | 4 Ų | 4 | 37 Ų | 37 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | trans | 101.5 | 120.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E368 V370 S379 R380 | E368-G377 VanDerWaalsContact O-CA 3.32Å; E368-G377 WeakPolarHBondContact O-CA 3.48Å; E368-G377 WeakPolarHBondContact OE1-CA 3.49Å; V370-G377 PolarHBondContact O-N 3.39Å; G377-S379 VanDerWaalsContact C-N 3.27Å; G377-S379 PolarHBondContact O-N 2.88Å; G377-R380 WeakPolarHBondContact O-CG 3.47Å; G377-R380 PolarHBondContact O-N 3.35Å | ||
| 378 | L | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -71.6 | -21.5 | 175.8 | -165.3 | 68.7 | 0 | 0 | 0 | 112.7 | F236 V357 L366 E368 V370 T372 R380 Y381 | F236-L378 WeakPolarHBondContact O-CD1 3.33Å; V357-L378 HydrophobicContact CG1-CG 4.44Å; L366-L378 HydrophobicContact CB-CD2 3.87Å; L366-L378 HydrophobicContact CD1-CD2 3.81Å; L366-L378 HydrophobicContact CD2-CD2 4.24Å; L366-L378 HydrophobicContact CG-CD2 4.19Å; E368-L378 PolarHBondContact O-N 2.93Å; E368-L378 VanDerWaalsContact O-N 3.08Å; E368-L378 PolarHBondContact OE1-N 2.96Å; E368-L378 WeakPolarHBondContact OE2-CA 3.49Å; E368-L378 WeakPolarHBondContact OE2-CB 3.34Å; E368-L378 PolarHBondContact OE2-N 2.89Å; V370-L378 HydrophobicContact CG2-CB 3.99Å; V370-L378 HydrophobicContact CG2-CD1 4.33Å; T372-L378 HydrophobicContact CG2-CD1 4.32Å; L378-R380 PolarHBondContact O-N 3.45Å; L378-Y381 HydrophobicContact CD1-CD2 3.99Å; L378-Y381 HydrophobicContact CD1-CE2 4.5Å; L378-Y381 HydrophobicContact CD1-CG 4.48Å; L378-Y381 WeakPolarHBondContact O-CB 3.27Å; L378-Y381 PolarHBondContact O-N 3.06Å |
| 379 | S | 98.1 | Very high | 97.8 | Very high | 53 Ų | 53 | 44.2 Ų | 44.2 | 37% | 0.371 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -55.9 | -20.4 | 174.5 | 54 | 0 | 0 | 0 | 0 | 113.3 | E368 G377 Y381 T382 | E368-S379 VanDerWaalsContact CD-N 3.28Å; E368-S379 WeakPolarHBondContact OE1-CB 3.5Å; E368-S379 PolarHBondContact OE1-N 3.39Å; E368-S379 PolarHBondContact OE1-OG 2.74Å; E368-S379 PolarHBondContact OE2-N 2.78Å; G377-S379 VanDerWaalsContact C-N 3.27Å; G377-S379 PolarHBondContact O-N 2.88Å; S379-Y381 PolarHBondContact O-N 3.14Å; S379-Y381 VanDerWaalsContact O-N 3.1Å; S379-T382 WeakPolarHBondContact O-CB 3.31Å; S379-T382 PolarHBondContact O-N 2.98Å; S379-T382 PolarHBondContact O-OG1 2.97Å |
| 380 | R | 98.2 | Very high | 97.6 | Very high | 111 Ų | 111 | 43.5 Ų | 43.5 | 42% | 0.419 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -58.3 | -22.2 | 170.2 | -64.2 | -179.9 | 179.4 | -81 | -4.3 | 113.5 | A374 F376 G377 L378 T382 L383 | A374-R380 HydrophobicContact CB-CB 4.31Å; A374-R380 WeakPolarHBondContact O-CD 3.44Å; A374-R380 PolarHBondContact O-NE 2.89Å; F376-R380 PolarHBondContact O-NE 3.15Å; G377-R380 WeakPolarHBondContact O-CG 3.47Å; G377-R380 PolarHBondContact O-N 3.35Å; L378-R380 PolarHBondContact O-N 3.45Å; R380-T382 VanDerWaalsContact C-N 3.28Å; R380-L383 WeakPolarHBondContact O-CB 3.15Å; R380-L383 WeakPolarHBondContact O-CG 3.26Å; R380-L383 PolarHBondContact O-N 3.41Å |
| 381 | Y | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -86.9 | 6.5 | 176.8 | -68 | -100.8 | 0 | 0 | 0 | 113.2 | E235 G238 Q240 P242 T372 A374 L378 S379 L383 | E235-Y381 HydrophobicContact CG-CD1 3.61Å; E235-Y381 HydrophobicContact CG-CE1 3.82Å; E235-Y381 WeakPolarHBondContact O-CD1 3.24Å; E235-Y381 VanDerWaalsContact O-CE1 3.23Å; E235-Y381 WeakPolarHBondContact O-CE1 2.93Å; G238-Y381 WeakPolarHBondContact CA-OH 3.44Å; G238-Y381 PolarHBondContact O-OH 2.98Å; Q240-Y381 VanDerWaalsContact O-CE1 3.32Å; Q240-Y381 WeakPolarHBondContact O-CE1 3.4Å; Q240-Y381 PolarHBondContact O-OH 3.26Å; P242-Y381 HydrophobicContact CB-CD1 4.11Å; P242-Y381 HydrophobicContact CB-CE1 4.35Å; P242-Y381 HydrophobicContact CB-CG 4.43Å; P242-Y381 HydrophobicContact CG-CD1 4.09Å; P242-Y381 HydrophobicContact CG-CD2 4.34Å; P242-Y381 HydrophobicContact CG-CE1 3.97Å; P242-Y381 HydrophobicContact CG-CE2 4.19Å; P242-Y381 HydrophobicContact CG-CG 4.28Å; T372-Y381 HydrophobicContact CG2-CD2 4.46Å; T372-Y381 HydrophobicContact CG2-CE2 3.71Å; A374-Y381 HydrophobicContact CB-CE2 4.39Å; L378-Y381 HydrophobicContact CD1-CD2 3.99Å; L378-Y381 HydrophobicContact CD1-CE2 4.5Å; L378-Y381 HydrophobicContact CD1-CG 4.48Å; L378-Y381 WeakPolarHBondContact O-CB 3.27Å; L378-Y381 PolarHBondContact O-N 3.06Å; S379-Y381 PolarHBondContact O-N 3.14Å; S379-Y381 VanDerWaalsContact O-N 3.1Å; Y381-L383 VanDerWaalsContact C-N 3.3Å |
| 382 | T | 98.4 | Very high | 97.5 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 8% | 0.08 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -86.6 | -3.4 | 161 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | V357 R358 S379 R380 G397 | V357-T382 HydrophobicContact CB-CG2 4.33Å; V357-T382 HydrophobicContact CG1-CG2 3.91Å; R358-T382 HydrophobicContact CB-CG2 3.99Å; S379-T382 WeakPolarHBondContact O-CB 3.31Å; S379-T382 PolarHBondContact O-N 2.98Å; S379-T382 PolarHBondContact O-OG1 2.97Å; R380-T382 VanDerWaalsContact C-N 3.28Å; T382-G397 WeakPolarHBondContact O-CA 3.38Å; T382-G397 PolarHBondContact O-N 3.31Å |
| 383 | L | 98.3 | Very high | 97.5 | Very high | 46 Ų | 46 | 53.5 Ų | 53.5 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 148.8 | 174.8 | -56 | 177.4 | 0 | 0 | 0 | 110.8 | R380 Y381 W394 R395 E396 | R380-L383 WeakPolarHBondContact O-CB 3.15Å; R380-L383 WeakPolarHBondContact O-CG 3.26Å; R380-L383 PolarHBondContact O-N 3.41Å; Y381-L383 VanDerWaalsContact C-N 3.3Å; L383-W394 HydrophobicContact CB-CB 4.28Å; L383-W394 HydrophobicContact CD1-CB 4.28Å; L383-R395 CarbonylContact C-O 3.52Å; L383-R395 VanDerWaalsContact CA-O 3.27Å; L383-R395 WeakPolarHBondContact CA-O 3.05Å; L383-E396 WeakPolarHBondContact CD2-OE2 3.33Å |
| 384 | E | 97 | Very high | 97.5 | Very high | 45 Ų | 45 | 57.5 Ų | 57.5 | 21% | 0.21 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 138.8 | 172.7 | 66.8 | 178.2 | -165.5 | 0 | 0 | 111.6 | P354 W394 R395 | P354-E384 HydrophobicContact CG-CB 4.5Å; E384-W394 WeakPolarHBondContact O-CA 3.45Å; E384-R395 HydrophobicContact CG-CG 3.71Å; E384-R395 PolarHBondContact N-O 2.95Å; E384-R395 PolarHBondContact O-N 3.34Å; E384-R395 IonicContact OE1-CZ 3.54Å; E384-R395 IonicContact OE1-NE 3.21Å; E384-R395 PolarHBondContact OE1-NE 3.37Å; E384-R395 IonicContact OE1-NH2 3.13Å; E384-R395 PolarHBondContact OE1-NH2 3.29Å |
| 385 | P | 98.3 | Very high | 97.5 | Very high | 13 Ų | 13 | 62 Ų | 62 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 143.8 | 175.8 | 32.4 | -33.9 | 0 | 0 | 0 | 110.4 | P242 L253 L257 L392 D393 | P242-P385 WeakPolarHBondContact O-CD 3.39Å; L253-P385 HydrophobicContact CD1-CB 4.29Å; L253-P385 HydrophobicContact CD2-CG 4.49Å; L257-P385 HydrophobicContact CD1-CB 4.4Å; L257-P385 HydrophobicContact CD1-CG 4.05Å; L257-P385 HydrophobicContact CD2-CB 3.86Å; L257-P385 HydrophobicContact CD2-CG 4.14Å; L257-P385 HydrophobicContact CG-CB 4.42Å; P385-L392 HydrophobicContact CB-CD1 3.92Å; P385-D393 WeakPolarHBondContact CA-O 3.27Å |
| 386 | W | 97.9 | Very high | 97.6 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 29% | 0.292 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 167.2 | 174.7 | 73.6 | -60.2 | 0 | 0 | 0 | 110.9 | N388 D393 R395 | W386-N388 HydrophobicContact CD2-CB 4.33Å; W386-N388 HydrophobicContact CE3-CB 4.46Å; W386-N388 HydrophobicContact CH2-CB 3.65Å; W386-N388 HydrophobicContact CZ2-CB 3.48Å; W386-N388 VanDerWaalsContact CZ2-CB 3.48Å; W386-N388 HydrophobicContact CZ3-CB 4.15Å; W386-D393 VanDerWaalsContact CD1-O 3.26Å; W386-D393 PolarHBondContact N-O 3.04Å; W386-D393 PolarHBondContact O-N 3.47Å; W386-R395 HydrophobicContact CG-CG 4.34Å |
| 387 | L | 98.2 | Very high | 97.6 | Very high | 56 Ų | 56 | 59.8 Ų | 59.8 | 29% | 0.293 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 103.6 | 173.4 | -63.6 | -177.2 | 0 | 0 | 0 | 110 | P252 L253 A256 N389 E391 | P252-L387 HydrophobicContact CB-CD1 3.88Å; L253-L387 HydrophobicContact CB-CG 4.35Å; L253-L387 HydrophobicContact CD1-CD2 3.9Å; L253-L387 HydrophobicContact CD1-CG 3.99Å; A256-L387 HydrophobicContact CB-CD2 3.76Å; L387-N389 PolarHBondContact O-N 3.21Å; L387-E391 CarbonylContact C-O 3.58Å; L387-E391 WeakPolarHBondContact CA-O 3.42Å |
| 388 | N | 97 | Very high | 97.5 | Very high | 56 Ų | 56 | 61 Ų | 61 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 101.9 | 172.8 | -172.5 | 1.3 | 0 | 0 | 0 | 109 | W386 G390 E391 D393 | W386-N388 HydrophobicContact CD2-CB 4.33Å; W386-N388 HydrophobicContact CE3-CB 4.46Å; W386-N388 HydrophobicContact CH2-CB 3.65Å; W386-N388 HydrophobicContact CZ2-CB 3.48Å; W386-N388 VanDerWaalsContact CZ2-CB 3.48Å; W386-N388 HydrophobicContact CZ3-CB 4.15Å; N388-G390 PolarHBondContact O-N 3.06Å; N388-E391 PolarHBondContact N-O 3.34Å; N388-E391 PolarHBondContact O-N 3.09Å; N388-D393 HydrophobicContact CB-CB 3.97Å; N388-D393 PolarHBondContact ND2-OD2 2.89Å |
| 389 | N | 95.3 | Very high | 97.3 | Very high | 161 Ų | 161 | 67.6 Ų | 67.6 | 86% | 0.861 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 35.6 | -174.7 | -56.9 | -46.7 | 0 | 0 | 0 | 113.7 | L387 E391 | L387-N389 PolarHBondContact O-N 3.21Å; N389-E391 VanDerWaalsContact C-N 3.34Å |
| 390 | G | 94.1 | Very high | 97.2 | Very high | 60 Ų | 60 | 72.5 Ų | 72.5 | 62% | 0.619 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | -7.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N388 | N388-G390 PolarHBondContact O-N 3.06Š|
| 391 | E | 96.7 | Very high | 97.2 | Very high | 154 Ų | 154 | 68.6 Ų | 68.6 | 72% | 0.72 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 140.2 | 174.3 | -63.6 | -172.3 | 171.4 | 0 | 0 | 110.9 | L387 N388 N389 D393 | L387-E391 CarbonylContact C-O 3.58Å; L387-E391 WeakPolarHBondContact CA-O 3.42Å; N388-E391 PolarHBondContact N-O 3.34Å; N388-E391 PolarHBondContact O-N 3.09Å; N389-E391 VanDerWaalsContact C-N 3.34Å; E391-D393 PolarHBondContact O-N 3.37Å |
| 392 | L | 98.5 | Very high | 97.1 | Very high | 36 Ų | 36 | 74.9 Ų | 74.9 | 19% | 0.188 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 127.4 | 176.2 | 179.4 | 68.3 | 0 | 0 | 0 | 110.3 | L253 A256 L257 A260 P385 W394 | L253-L392 HydrophobicContact CD1-CD1 3.58Å; A256-L392 HydrophobicContact CB-CB 4.12Å; L257-L392 HydrophobicContact CD2-CD1 4.17Å; L257-L392 HydrophobicContact CD2-CD2 4.21Å; L257-L392 HydrophobicContact CG-CD1 4.29Å; A260-L392 HydrophobicContact CB-CD2 3.34Å; P385-L392 HydrophobicContact CB-CD1 3.92Å; L392-W394 HydrophobicContact CD2-CH2 3.33Å; L392-W394 HydrophobicContact CD2-CZ2 3.89Å; L392-W394 HydrophobicContact CD2-CZ3 3.87Å; L392-W394 HydrophobicContact CG-CE3 4.49Å; L392-W394 HydrophobicContact CG-CH2 3.83Å; L392-W394 HydrophobicContact CG-CZ2 4.35Å; L392-W394 HydrophobicContact CG-CZ3 3.89Å |
| 393 | D | 98.3 | Very high | 97.1 | Very high | 68 Ų | 68 | 76.2 Ų | 76.2 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 166 | 174.2 | -164.2 | 5.7 | 0 | 0 | 0 | 109.8 | P385 W386 N388 E391 | P385-D393 WeakPolarHBondContact CA-O 3.27Å; W386-D393 VanDerWaalsContact CD1-O 3.26Å; W386-D393 PolarHBondContact N-O 3.04Å; W386-D393 PolarHBondContact O-N 3.47Å; N388-D393 HydrophobicContact CB-CB 3.97Å; N388-D393 PolarHBondContact ND2-OD2 2.89Å; E391-D393 PolarHBondContact O-N 3.37Å |
| 394 | W | 98.4 | Very high | 97 | Very high | 85 Ų | 85 | 78 Ų | 78 | 32% | 0.322 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 132.6 | 175.5 | -75.4 | -97.6 | 0 | 0 | 0 | 109.8 | L241 P242 L257 A260 L383 E384 L392 | L241-W394 HydrophobicContact CD1-CZ2 4.39Å; P242-W394 PolarHBondContact O-NE1 3.34Å; L257-W394 HydrophobicContact CD2-CZ2 4.34Å; A260-W394 HydrophobicContact CB-CH2 4.35Å; L383-W394 HydrophobicContact CB-CB 4.28Å; L383-W394 HydrophobicContact CD1-CB 4.28Å; E384-W394 WeakPolarHBondContact O-CA 3.45Å; L392-W394 HydrophobicContact CD2-CH2 3.33Å; L392-W394 HydrophobicContact CD2-CZ2 3.89Å; L392-W394 HydrophobicContact CD2-CZ3 3.87Å; L392-W394 HydrophobicContact CG-CE3 4.49Å; L392-W394 HydrophobicContact CG-CH2 3.83Å; L392-W394 HydrophobicContact CG-CZ2 4.35Å; L392-W394 HydrophobicContact CG-CZ3 3.89Å |
| 395 | R | 97.4 | Very high | 96.9 | Very high | 118 Ų | 118 | 81.2 Ų | 81.2 | 45% | 0.445 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 167.2 | 174.9 | 67.2 | -176 | -171.7 | -168.9 | 1.7 | 110.3 | L383 E384 W386 G397 | L383-R395 CarbonylContact C-O 3.52Å; L383-R395 VanDerWaalsContact CA-O 3.27Å; L383-R395 WeakPolarHBondContact CA-O 3.05Å; E384-R395 HydrophobicContact CG-CG 3.71Å; E384-R395 PolarHBondContact N-O 2.95Å; E384-R395 PolarHBondContact O-N 3.34Å; E384-R395 IonicContact OE1-CZ 3.54Å; E384-R395 IonicContact OE1-NE 3.21Å; E384-R395 PolarHBondContact OE1-NE 3.37Å; E384-R395 IonicContact OE1-NH2 3.13Å; E384-R395 PolarHBondContact OE1-NH2 3.29Å; W386-R395 HydrophobicContact CG-CG 4.34Å; R395-G397 PolarHBondContact O-N 3.44Å |
| 396 | E | 97.8 | Very high | 96.9 | Very high | 93 Ų | 93 | 80.8 Ų | 80.8 | 44% | 0.435 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 125.1 | 172.7 | -163.2 | 67 | -174.3 | 0 | 0 | 109.6 | R358 L383 | R358-E396 IonicContact CZ-OE1 3.77Å; R358-E396 IonicContact NH1-OE1 3.39Å; R358-E396 PolarHBondContact NH1-OE1 3.44Å; R358-E396 IonicContact NH2-OE1 2.64Å; R358-E396 PolarHBondContact NH2-OE1 2.96Å; L383-E396 WeakPolarHBondContact CD2-OE2 3.33Å |
| 397 | G | 96.5 | Very high | 96.9 | Very high | 5 Ų | 5 | 77.1 Ų | 77.1 | 5% | 0.052 | 41% | 0.405 | C | S | . | . | trans | -71.7 | 177.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T382 R395 E399 | T382-G397 WeakPolarHBondContact O-CA 3.38Å; T382-G397 PolarHBondContact O-N 3.31Å; R395-G397 PolarHBondContact O-N 3.44Å; G397-E399 PolarHBondContact O-N 3.04Å | ||
| 398 | A | 95.7 | Very high | 96.8 | Very high | 28 Ų | 28 | 74.7 Ų | 74.7 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | trans | -54.2 | 132.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V355 | V355-A398 HydrophobicContact CG2-CB 3.76Å; V355-A398 VanDerWaalsContact CG2-O 3.31Å; V355-A398 WeakPolarHBondContact CG2-O 3.23Å | ||
| 399 | E | 94.9 | Very high | 96.7 | Very high | 141 Ų | 141 | 73.9 Ų | 73.9 | 66% | 0.659 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -76.4 | -26.3 | 178.6 | -67.9 | -175.6 | 171.8 | 0 | 0 | 112.8 | G397 | G397-E399 PolarHBondContact O-N 3.04Š|
| 400 | K | 96 | Very high | 96.7 | Very high | 155 Ų | 155 | 69.4 Ų | 69.4 | 67% | 0.674 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -143.3 | 157.2 | -179 | 63.8 | -177.9 | 179.3 | -177.7 | 0 | 109.9 | L402 | K400-L402 PolarHBondContact O-N 3.16Š|
| 401 | S | 97.6 | Very high | 96.7 | Very high | 30 Ų | 30 | 71.6 Ų | 71.6 | 21% | 0.21 | 36% | 0.358 | C | S | . | . | trans | -58.5 | 135.9 | 173.4 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | A350 D403 I407 | A350-S401 WeakPolarHBondContact O-CA 3.27Å; S401-D403 PolarHBondContact OG-N 3.17Å; S401-D403 VanDerWaalsContact OG-N 3.17Å; S401-D403 PolarHBondContact OG-O 2.77Å; S401-I407 WeakPolarHBondContact CB-O 3.37Å; S401-I407 PolarHBondContact OG-O 2.99Å | ||
| 402 | L | 97.4 | Very high | 96.7 | Very high | 132 Ų | 132 | 71.9 Ų | 71.9 | 69% | 0.691 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -85.7 | -15.8 | 170.9 | -59.6 | 179.6 | 0 | 0 | 0 | 112.1 | A350 K400 | A350-L402 PolarHBondContact O-N 3Å; K400-L402 PolarHBondContact O-N 3.16Å |
| 403 | D | 97.7 | Very high | 96.6 | Very high | 41 Ų | 41 | 71 Ų | 71 | 22% | 0.219 | 36% | 0.356 | C | S | . | . | trans | -141.7 | 102.8 | 170.7 | -172.9 | -7.3 | 0 | 0 | 0 | 110.4 | H346 A350 S401 N405 V406 I407 | H346-D403 IonicContact CE1-OD2 3.43Å; H346-D403 IonicContact NE2-OD2 2.75Å; A350-D403 HydrophobicContact CB-CB 4.16Å; S401-D403 PolarHBondContact OG-N 3.17Å; S401-D403 VanDerWaalsContact OG-N 3.17Å; S401-D403 PolarHBondContact OG-O 2.77Å; D403-N405 PolarHBondContact O-N 3.28Å; D403-N405 VanDerWaalsContact O-N 3.13Å; D403-N405 VanDerWaalsContact OD1-CB 3.26Å; D403-N405 WeakPolarHBondContact OD1-CB 3.34Å; D403-N405 PolarHBondContact OD1-N 3.26Å; D403-N405 PolarHBondContact OD1-ND2 2.98Å; D403-V406 HydrophobicContact CB-CB 4.39Å; D403-V406 HydrophobicContact CB-CG2 4.17Å; D403-V406 PolarHBondContact O-N 3.3Å; D403-V406 WeakPolarHBondContact OD2-CG2 3.33Å; D403-I407 PolarHBondContact O-N 3.4Å | ||
| 404 | S | 96.3 | Very high | 96.3 | Very high | 85 Ų | 85 | 69.8 Ų | 69.8 | 59% | 0.594 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -9.9 | 179.4 | 57.4 | 0 | 0 | 0 | 0 | 114 | V406 I407 F414 | S404-V406 VanDerWaalsContact C-N 3.33Å; S404-I407 WeakPolarHBondContact CA-O 3.23Å; S404-F414 WeakPolarHBondContact O-CE1 3.5Å; S404-F414 VanDerWaalsContact O-CZ 3.23Å; S404-F414 WeakPolarHBondContact O-CZ 3.26Å |
| 405 | N | 95.9 | Very high | 96 | Very high | 112 Ų | 112 | 68 Ų | 68 | 60% | 0.599 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -14.8 | 171.1 | -55.8 | -68.6 | 0 | 0 | 0 | 112.8 | D403 F414 | D403-N405 PolarHBondContact O-N 3.28Å; D403-N405 VanDerWaalsContact O-N 3.13Å; D403-N405 VanDerWaalsContact OD1-CB 3.26Å; D403-N405 WeakPolarHBondContact OD1-CB 3.34Å; D403-N405 PolarHBondContact OD1-N 3.26Å; D403-N405 PolarHBondContact OD1-ND2 2.98Å; N405-F414 VanDerWaalsContact C-CZ 3.46Å; N405-F414 VanDerWaalsContact O-CZ 3.31Å; N405-F414 WeakPolarHBondContact O-CZ 3.41Å |
| 406 | V | 96.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.024 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -49 | 179.4 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | A334 R335 L336 A342 F347 A350 D403 S404 | A334-V406 CarbonylContact C-O 3.55Å; A334-V406 WeakPolarHBondContact CA-O 3.19Å; R335-V406 PolarHBondContact N-O 2.87Å; L336-V406 HydrophobicContact CD2-CG1 4.01Å; A342-V406 HydrophobicContact CB-CG1 3.97Å; A342-V406 HydrophobicContact CB-CG2 3.78Å; F347-V406 HydrophobicContact CB-CG1 4.46Å; A350-V406 HydrophobicContact CB-CB 4Å; A350-V406 HydrophobicContact CB-CG1 4.06Å; D403-V406 HydrophobicContact CB-CB 4.39Å; D403-V406 HydrophobicContact CB-CG2 4.17Å; D403-V406 PolarHBondContact O-N 3.3Å; D403-V406 WeakPolarHBondContact OD2-CG2 3.33Å; S404-V406 VanDerWaalsContact C-N 3.33Å |
| 407 | I | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -122.6 | 112.4 | 176.1 | -52.8 | 177.5 | 0 | 0 | 0 | 108.6 | M333 F347 A350 G352 V355 L356 S401 D403 S404 | M333-I407 CarbonylContact O-C 3.59Å; M333-I407 WeakPolarHBondContact O-CA 3.47Å; F347-I407 HydrophobicContact CD2-CD1 3.68Å; F347-I407 HydrophobicContact CD2-CG1 3.73Å; F347-I407 HydrophobicContact CE2-CD1 3.49Å; F347-I407 VanDerWaalsContact CE2-CD1 3.49Å; F347-I407 HydrophobicContact CE2-CG1 3.72Å; F347-I407 HydrophobicContact CZ-CD1 4.33Å; A350-I407 HydrophobicContact CB-CD1 4.04Å; A350-I407 HydrophobicContact CB-CG1 4.16Å; G352-I407 VanDerWaalsContact N-CD1 3.29Å; V355-I407 HydrophobicContact CB-CG2 4.44Å; V355-I407 HydrophobicContact CG1-CG2 3.8Å; L356-I407 HydrophobicContact CD2-CG2 3.75Å; L356-I407 HydrophobicContact CG-CG2 4.24Å; S401-I407 WeakPolarHBondContact CB-O 3.37Å; S401-I407 PolarHBondContact OG-O 2.99Å; D403-I407 PolarHBondContact O-N 3.4Å; S404-I407 WeakPolarHBondContact CA-O 3.23Å |
| 408 | A | 96.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 66 Ų | 66 | 3% | 0.033 | 34% | 0.342 | C | S | . | . | trans | -84.2 | 161.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M333 Q412 F414 | M333-A408 PolarHBondContact O-N 3.09Å; A408-Q412 WeakPolarHBondContact CB-O 3.31Å; A408-F414 HydrophobicContact CB-CD1 4.38Å; A408-F414 HydrophobicContact CB-CD2 3.88Å; A408-F414 HydrophobicContact CB-CE1 4.19Å; A408-F414 HydrophobicContact CB-CE2 3.68Å; A408-F414 HydrophobicContact CB-CG 4.24Å; A408-F414 HydrophobicContact CB-CZ 3.84Å | ||
| 409 | S | 96.1 | Very high | 94.4 | Very high | 39 Ų | 39 | 64.7 Ų | 64.7 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | trans | -82.8 | 163.6 | 167.4 | 88.4 | 0 | 0 | 0 | 0 | 110.7 | E359 E411 Q412 | E359-S409 WeakPolarHBondContact OE2-CA 3.43Å; E359-S409 WeakPolarHBondContact OE2-CB 3.24Å; S409-E411 VanDerWaalsContact C-N 3.26Å; S409-E411 WeakPolarHBondContact CB-OE2 3.32Å; S409-E411 PolarHBondContact O-N 3.04Å; S409-E411 PolarHBondContact OG-N 3.26Å; S409-E411 PolarHBondContact OG-OE2 3.25Å; S409-Q412 CarbonylContact O-C 3.44Å; S409-Q412 VanDerWaalsContact O-C 3.31Å; S409-Q412 PolarHBondContact O-N 3.12Å; S409-Q412 PolarHBondContact OG-N 3.39Å | ||
| 410 | F | 93.7 | Very high | 94.1 | Very high | 68 Ų | 68 | 58.2 Ų | 58.2 | 30% | 0.298 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -61.6 | -34.5 | 174.3 | 171.8 | -100.5 | 0 | 0 | 0 | 112.3 | P331 M333 E359 A363 L365 P413 | P331-F410 HydrophobicContact CG-CD2 3.7Å; P331-F410 HydrophobicContact CG-CE2 3.99Å; M333-F410 HydrophobicContact SD-CB 4.25Å; E359-F410 PolarHBondContact OE2-N 3.26Å; A363-F410 HydrophobicContact CB-CB 4.24Å; A363-F410 HydrophobicContact CB-CD1 3.77Å; A363-F410 HydrophobicContact CB-CD2 3.43Å; A363-F410 VanDerWaalsContact CB-CD2 3.43Å; A363-F410 HydrophobicContact CB-CE1 3.96Å; A363-F410 HydrophobicContact CB-CE2 3.66Å; A363-F410 HydrophobicContact CB-CG 3.51Å; A363-F410 HydrophobicContact CB-CZ 3.91Å; L365-F410 HydrophobicContact CD1-CD2 3.93Å; L365-F410 HydrophobicContact CD1-CE2 3.62Å; F410-P413 WeakPolarHBondContact O-CD 3.47Å |
| 411 | E | 94.8 | Very high | 93.9 | Very high | 105 Ų | 105 | 52.3 Ų | 52.3 | 49% | 0.491 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -75.1 | -27.4 | -180 | -55.4 | 84.4 | 178.1 | 0 | 0 | 113.3 | K362 S409 P413 | K362-E411 IonicContact NZ-OE1 2.8Å; K362-E411 PolarHBondContact NZ-OE1 3.16Å; S409-E411 VanDerWaalsContact C-N 3.26Å; S409-E411 WeakPolarHBondContact CB-OE2 3.32Å; S409-E411 PolarHBondContact O-N 3.04Å; S409-E411 PolarHBondContact OG-N 3.26Å; S409-E411 PolarHBondContact OG-OE2 3.25Å; E411-P413 VanDerWaalsContact C-CD 3.45Å |
| 412 | Q | 96.2 | Very high | 93.8 | Very high | 161 Ų | 161 | 51.4 Ų | 51.4 | 75% | 0.752 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -127.3 | 60.7 | 178.7 | -64 | -175.7 | 6.2 | 0 | 0 | 111.4 | A408 S409 | A408-Q412 WeakPolarHBondContact CB-O 3.31Å; S409-Q412 CarbonylContact O-C 3.44Å; S409-Q412 VanDerWaalsContact O-C 3.31Å; S409-Q412 PolarHBondContact O-N 3.12Å; S409-Q412 PolarHBondContact OG-N 3.39Å |
| 413 | P | 96.2 | Very high | 93.8 | Very high | 18 Ų | 18 | 45.1 Ų | 45.1 | 12% | 0.117 | 24% | 0.237 | C | C | . | . | trans | -73.1 | 163.5 | -175.9 | 33.3 | -34.5 | 0 | 0 | 0 | 111.3 | P331 F410 E411 S415 | P331-P413 HydrophobicContact CB-CB 3.45Å; P331-P413 VanDerWaalsContact CB-CB 3.45Å; P331-P413 HydrophobicContact CB-CG 3.78Å; P331-P413 HydrophobicContact CG-CB 4.24Å; F410-P413 WeakPolarHBondContact O-CD 3.47Å; E411-P413 VanDerWaalsContact C-CD 3.45Å; P413-S415 PolarHBondContact O-N 3.43Å | ||
| 414 | F | 93.7 | Very high | 93.8 | Very high | 41 Ų | 41 | 45.3 Ų | 45.3 | 18% | 0.18 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -68.3 | -28.2 | 174.2 | -61.7 | -58.9 | 0 | 0 | 0 | 112.9 | L332 M333 R335 S404 N405 A408 | L332-F414 HydrophobicContact CD2-CB 4.3Å; L332-F414 HydrophobicContact CG-CB 4.38Å; L332-F414 WeakPolarHBondContact O-CB 3.36Å; L332-F414 PolarHBondContact O-N 3.17Å; M333-F414 VanDerWaalsContact O-CE2 3.31Å; M333-F414 WeakPolarHBondContact O-CE2 3.44Å; R335-F414 HydrophobicContact CB-CD2 4.1Å; R335-F414 HydrophobicContact CB-CE2 3.75Å; R335-F414 HydrophobicContact CB-CZ 3.99Å; R335-F414 VanDerWaalsContact CD-CD1 3.46Å; R335-F414 HydrophobicContact CG-CB 4.33Å; R335-F414 HydrophobicContact CG-CD1 4.04Å; R335-F414 HydrophobicContact CG-CD2 3.54Å; R335-F414 HydrophobicContact CG-CE1 4.2Å; R335-F414 HydrophobicContact CG-CE2 3.71Å; R335-F414 HydrophobicContact CG-CG 3.7Å; R335-F414 HydrophobicContact CG-CZ 4.05Å; R335-F414 VanDerWaalsContact CZ-CD1 3.45Å; R335-F414 VanDerWaalsContact NE-CD1 3.32Å; S404-F414 WeakPolarHBondContact O-CE1 3.5Å; S404-F414 VanDerWaalsContact O-CZ 3.23Å; S404-F414 WeakPolarHBondContact O-CZ 3.26Å; N405-F414 VanDerWaalsContact C-CZ 3.46Å; N405-F414 VanDerWaalsContact O-CZ 3.31Å; N405-F414 WeakPolarHBondContact O-CZ 3.41Å; A408-F414 HydrophobicContact CB-CD1 4.38Å; A408-F414 HydrophobicContact CB-CD2 3.88Å; A408-F414 HydrophobicContact CB-CE1 4.19Å; A408-F414 HydrophobicContact CB-CE2 3.68Å; A408-F414 HydrophobicContact CB-CG 4.24Å; A408-F414 HydrophobicContact CB-CZ 3.84Å |
| 415 | S | 92.1 | Very high | 93.9 | Very high | 47 Ų | 47 | 43.1 Ų | 43.1 | 33% | 0.329 | 23% | 0.231 | S | C | . | . | B | Isolated β-bridge | trans | -154 | 143 | 171.4 | 176 | 0 | 0 | 0 | 0 | 108.4 | P331 L332 P413 H417 | P331-S415 CarbonylContact C-O 3.57Å; P331-S415 VanDerWaalsContact CA-O 3.27Å; P331-S415 WeakPolarHBondContact CA-O 3.45Å; P331-S415 VanDerWaalsContact CB-O 3.26Å; P331-S415 WeakPolarHBondContact CB-O 3.37Å; L332-S415 PolarHBondContact N-O 2.82Å; P413-S415 PolarHBondContact O-N 3.43Å; S415-H417 PolarHBondContact O-N 3.17Å; S415-H417 PolarHBondContact OG-N 2.81Å; S415-H417 VanDerWaalsContact OG-N 3.16Å; S415-H417 PolarHBondContact OG-O 2.89Å |
| 416 | H | 92.5 | Very high | 94 | Very high | 142 Ų | 142 | 41.1 Ų | 41.1 | 66% | 0.657 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -74.1 | -3 | 173.1 | -67 | -72 | 0 | 0 | 0 | 113.4 | ||
| 417 | H | 90 | Very high | 94.1 | Very high | 32 Ų | 32 | 41 Ų | 41 | 15% | 0.148 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -120.3 | 141.8 | 176.3 | 179.6 | -88.6 | 0 | 0 | 0 | 110.5 | S327 D328 V330 S415 G419 T420 | S327-H417 VanDerWaalsContact O-CA 3.32Å; S327-H417 WeakPolarHBondContact O-CA 3.43Å; S327-H417 PolarHBondContact O-CD2 3.05Å; S327-H417 VanDerWaalsContact O-CD2 3.23Å; S327-H417 PolarHBondContact OG-CD2 2.79Å; S327-H417 PolarHBondContact OG-CE1 2.66Å; S327-H417 PolarHBondContact OG-ND1 2.91Å; S327-H417 PolarHBondContact OG-NE2 2.95Å; D328-H417 IonicContact OD1-CD2 2.82Å; D328-H417 PolarHBondContact OD1-CD2 3.05Å; D328-H417 IonicContact OD1-NE2 2.66Å; V330-H417 CarbonylContact O-C 3.52Å; S415-H417 PolarHBondContact O-N 3.17Å; S415-H417 PolarHBondContact OG-N 2.81Å; S415-H417 VanDerWaalsContact OG-N 3.16Å; S415-H417 PolarHBondContact OG-O 2.89Å; H417-G419 PolarHBondContact ND1-N 3.16Å; H417-G419 PolarHBondContact O-N 2.71Å; H417-T420 PolarHBondContact CE1-O 3.43Å |
| 418 | G | 85.9 | Confident | 94.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -68.7 | 10.1 | -172 | 0 | 0 | 0 | 0 | 0 | 116.2 | L295 S327 V330 T420 | L295-G418 CarbonylContact O-C 3.51Å; S327-G418 PolarHBondContact O-N 2.89Å; S327-G418 PolarHBondContact OG-N 3.09Å; V330-G418 WeakPolarHBondContact O-CA 3.45Å; V330-G418 PolarHBondContact O-N 3.18Å; G418-T420 VanDerWaalsContact C-N 3.27Å; G418-T420 PolarHBondContact O-N 3.09Å | ||
| 419 | G | 84.2 | Confident | 94.2 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 74.1 | 8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | H417 K433 T434 S435 | H417-G419 PolarHBondContact ND1-N 3.16Å; H417-G419 PolarHBondContact O-N 2.71Å; G419-K433 CarbonylContact O-C 3.48Å; G419-K433 WeakPolarHBondContact O-CA 3.37Å; G419-T434 PolarHBondContact O-N 2.82Å; G419-T434 PolarHBondContact O-OG1 3.45Å; G419-S435 PolarHBondContact O-N 2.8Å; G419-S435 VanDerWaalsContact O-N 3.14Å; G419-S435 PolarHBondContact O-OG 3.48Å |
| 420 | T | 88.8 | Confident | 94.3 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 123.1 | 173.2 | -58.1 | 0 | 0 | 0 | 0 | 108.9 | T304 S327 H417 G418 M432 | T304-T420 HydrophobicContact CG2-CG2 4.39Å; S327-T420 WeakPolarHBondContact CB-O 3.38Å; S327-T420 PolarHBondContact OG-O 3Å; H417-T420 PolarHBondContact CE1-O 3.43Å; G418-T420 VanDerWaalsContact C-N 3.27Å; G418-T420 PolarHBondContact O-N 3.09Å; T420-M432 WeakPolarHBondContact CA-O 3.29Å |
| 421 | K | 91.4 | Very high | 94.4 | Very high | 31 Ų | 31 | 39.4 Ų | 39.4 | 14% | 0.135 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 138.1 | 177.4 | -158.6 | 69.9 | 175.2 | 175.4 | 0 | 109.9 | D328 L423 V431 M432 T434 | D328-K421 IonicContact OD1-NZ 2.66Å; D328-K421 PolarHBondContact OD1-NZ 3.4Å; D328-K421 VanDerWaalsContact OD1-NZ 3.17Å; K421-L423 HydrophobicContact CG-CD2 4.49Å; K421-V431 WeakPolarHBondContact O-CA 3.32Å; K421-M432 PolarHBondContact N-O 2.99Å; K421-M432 PolarHBondContact O-N 3.32Å; K421-T434 HydrophobicContact CB-CG2 3.89Å |
| 422 | V | 95.5 | Very high | 94.3 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 7% | 0.073 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 130.4 | 166.7 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | W320 A430 G551 | W320-V422 HydrophobicContact CB-CG1 4.1Å; W320-V422 HydrophobicContact CB-CG2 3.69Å; W320-V422 HydrophobicContact CE3-CG1 4.34Å; W320-V422 HydrophobicContact CG-CG2 4.41Å; W320-V422 WeakPolarHBondContact O-CG2 3.49Å; V422-A430 WeakPolarHBondContact CA-O 3.45Å; V422-G551 WeakPolarHBondContact O-CA 3.4Å |
| 423 | L | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 145.2 | 173.8 | -48.8 | 179.5 | 0 | 0 | 0 | 109.5 | K421 R429 A430 M432 A522 V546 G551 L553 | K421-L423 HydrophobicContact CG-CD2 4.49Å; L423-R429 WeakPolarHBondContact O-CA 3.15Å; L423-A430 HydrophobicContact CB-CB 4.29Å; L423-A430 PolarHBondContact N-O 3.26Å; L423-A430 PolarHBondContact O-N 3.32Å; L423-M432 HydrophobicContact CD1-CB 3.89Å; L423-M432 HydrophobicContact CD1-SD 4.39Å; L423-M432 HydrophobicContact CD2-CB 4.26Å; L423-M432 HydrophobicContact CG-CB 4.07Å; L423-A522 HydrophobicContact CD1-CB 3.49Å; L423-A522 VanDerWaalsContact CD1-CB 3.49Å; L423-V546 HydrophobicContact CD1-CG1 4.09Å; L423-G551 CarbonylContact C-O 3.49Å; L423-G551 VanDerWaalsContact CA-O 3.25Å; L423-G551 WeakPolarHBondContact CA-O 3.39Å; L423-L553 HydrophobicContact CB-CB 3.87Å; L423-L553 HydrophobicContact CD1-CB 4.47Å |
| 424 | S | 98 | Very high | 93.8 | Very high | 45 Ų | 45 | 27.2 Ų | 27.2 | 32% | 0.315 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 144.5 | 178.7 | -67.5 | 0 | 0 | 0 | 0 | 110.7 | G428 R429 G551 E552 L553 | S424-G428 WeakPolarHBondContact CA-O 3.39Å; S424-R429 PolarHBondContact OG-NH1 2.93Å; S424-G551 PolarHBondContact N-O 3.3Å; S424-E552 WeakPolarHBondContact O-CA 3.43Å; S424-L553 PolarHBondContact O-N 2.93Å |
| 425 | G | 98.1 | Very high | 93.4 | Very high | 38 Ų | 38 | 26.6 Ų | 26.6 | 39% | 0.392 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.9 | -161 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L427 G428 L553 | G425-L427 PolarHBondContact O-N 3.02Å; G425-G428 PolarHBondContact N-O 3.16Å; G425-G428 VanDerWaalsContact N-O 3.09Å; G425-G428 PolarHBondContact O-N 2.9Å; G425-L553 CarbonylContact C-O 3.05Å; G425-L553 WeakPolarHBondContact CA-O 3.41Å |
| 426 | N | 98.1 | Very high | 93.1 | Very high | 71 Ų | 71 | 25.3 Ų | 25.3 | 38% | 0.38 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -23.9 | -176.7 | 67.1 | -10.7 | 0 | 0 | 0 | 113.2 | G428 L534 T554 L555 | N426-G428 PolarHBondContact O-N 2.78Å; N426-L534 HydrophobicContact CB-CD2 4.01Å; N426-L534 WeakPolarHBondContact O-CD2 3.34Å; N426-T554 VanDerWaalsContact OD1-CA 3.32Å; N426-T554 WeakPolarHBondContact OD1-CA 3.35Å; N426-L555 PolarHBondContact ND2-O 3Å; N426-L555 PolarHBondContact OD1-N 3.3Å |
| 427 | L | 98.4 | Very high | 93 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -9.7 | 173.6 | -78.3 | 171.5 | 0 | 0 | 0 | 113.6 | G425 L534 L535 V538 I544 L553 L555 | G425-L427 PolarHBondContact O-N 3.02Å; L427-L534 HydrophobicContact CD2-CB 4.31Å; L427-L534 HydrophobicContact CD2-CD2 4.29Å; L427-L534 HydrophobicContact CD2-CG 4.28Å; L427-L535 HydrophobicContact CD2-CD1 4.44Å; L427-V538 HydrophobicContact CD2-CG2 3.91Å; L427-I544 HydrophobicContact CD1-CG2 4.06Å; L427-L553 HydrophobicContact CB-CD2 4.08Å; L427-L553 HydrophobicContact CB-CG 3.97Å; L427-L553 HydrophobicContact CD1-CD1 4.08Å; L427-L553 HydrophobicContact CD1-CG 3.96Å; L427-L555 HydrophobicContact CD1-CB 4.1Å; L427-L555 HydrophobicContact CD2-CB 3.99Å; L427-L555 HydrophobicContact CD2-CD2 4.32Å; L427-L555 HydrophobicContact CG-CB 3.82Å |
| 428 | G | 98 | Very high | 92.9 | Very high | 16 Ų | 16 | 19.6 Ų | 19.6 | 17% | 0.165 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 112.1 | -145.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | S424 G425 N426 | S424-G428 WeakPolarHBondContact CA-O 3.39Å; G425-G428 PolarHBondContact N-O 3.16Å; G425-G428 VanDerWaalsContact N-O 3.09Å; G425-G428 PolarHBondContact O-N 2.9Å; N426-G428 PolarHBondContact O-N 2.78Å |
| 429 | R | 98.4 | Very high | 93.1 | Very high | 59 Ų | 59 | 24 Ų | 24 | 22% | 0.223 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 145 | 177.6 | -67.1 | 175.5 | 59.4 | 90.7 | -16.7 | 110.4 | W320 D321 L423 S424 V525 T526 E595 | W320-R429 HydrophobicContact CE3-CB 4.03Å; W320-R429 HydrophobicContact CZ3-CB 3.78Å; D321-R429 IonicContact OD1-CZ 2.85Å; D321-R429 IonicContact OD1-NH1 2.79Å; D321-R429 PolarHBondContact OD1-NH1 3.3Å; D321-R429 IonicContact OD1-NH2 3.12Å; D321-R429 PolarHBondContact OD1-NH2 2.87Å; D321-R429 IonicContact OD2-NH2 3.71Å; L423-R429 WeakPolarHBondContact O-CA 3.15Å; S424-R429 PolarHBondContact OG-NH1 2.93Å; R429-V525 CarbonylContact O-C 3.55Å; R429-V525 WeakPolarHBondContact O-CA 3.29Å; R429-T526 PolarHBondContact N-O 2.87Å; R429-T526 PolarHBondContact O-N 2.86Å; R429-E595 WeakPolarHBondContact CD-OE2 3.41Å; R429-E595 IonicContact CZ-OE1 3.91Å; R429-E595 IonicContact CZ-OE2 2.82Å; R429-E595 IonicContact NE-OE1 3.16Å; R429-E595 PolarHBondContact NE-OE1 3.22Å; R429-E595 VanDerWaalsContact NE-OE1 3.13Å; R429-E595 IonicContact NE-OE2 3.71Å; R429-E595 PolarHBondContact NE-OE2 3.35Å; R429-E595 IonicContact NH2-OE1 3.47Å; R429-E595 PolarHBondContact NH2-OE1 3.44Å |
| 430 | A | 98 | Very high | 93.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 174.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V422 L423 A522 I523 V525 L553 | V422-A430 WeakPolarHBondContact CA-O 3.45Å; L423-A430 HydrophobicContact CB-CB 4.29Å; L423-A430 PolarHBondContact N-O 3.26Å; L423-A430 PolarHBondContact O-N 3.32Å; A430-A522 HydrophobicContact CB-CB 4.3Å; A430-I523 WeakPolarHBondContact CB-O 3.33Å; A430-V525 HydrophobicContact CB-CG2 3.89Å; A430-L553 HydrophobicContact CB-CD2 3.85Å |
| 431 | V | 96 | Very high | 93.5 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 146 | 170.1 | -61.6 | 0 | 0 | 0 | 0 | 110.5 | T301 T304 W320 K421 I523 H524 | T301-V431 HydrophobicContact CG2-CG2 4.42Å; T304-V431 HydrophobicContact CG2-CG1 4.29Å; W320-V431 HydrophobicContact CD2-CG1 3.72Å; W320-V431 HydrophobicContact CE3-CG1 4.1Å; W320-V431 HydrophobicContact CG-CG1 4.19Å; W320-V431 HydrophobicContact CH2-CG1 4.24Å; W320-V431 HydrophobicContact CZ2-CG1 3.86Å; W320-V431 HydrophobicContact CZ3-CG1 4.35Å; K421-V431 WeakPolarHBondContact O-CA 3.32Å; V431-I523 HydrophobicContact CG2-CD1 4.31Å; V431-I523 HydrophobicContact CG2-CG1 3.79Å; V431-I523 PolarHBondContact N-O 3Å; V431-I523 WeakPolarHBondContact O-CG1 3.46Å; V431-I523 PolarHBondContact O-N 2.84Å; V431-H524 HydrophobicContact CG2-CB 4.26Å; V431-H524 WeakPolarHBondContact CG2-ND1 3.43Å |
| 432 | M | 93.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 131.5 | 176.1 | 175.2 | 175.5 | 168.7 | 0 | 0 | 109.9 | T420 K421 L423 T434 V437 P520 S521 V546 | T420-M432 WeakPolarHBondContact CA-O 3.29Å; K421-M432 PolarHBondContact N-O 2.99Å; K421-M432 PolarHBondContact O-N 3.32Å; L423-M432 HydrophobicContact CD1-CB 3.89Å; L423-M432 HydrophobicContact CD1-SD 4.39Å; L423-M432 HydrophobicContact CD2-CB 4.26Å; L423-M432 HydrophobicContact CG-CB 4.07Å; M432-T434 HydrophobicContact CE-CG2 4.24Å; M432-T434 HydrophobicContact CG-CG2 4.19Å; M432-T434 PolarHBondContact O-N 3Å; M432-T434 HydrophobicContact SD-CG2 4.42Å; M432-V437 HydrophobicContact CE-CB 4.35Å; M432-V437 HydrophobicContact CE-CG1 4.18Å; M432-V437 HydrophobicContact CE-CG2 4.12Å; M432-P520 HydrophobicContact CE-CB 3.45Å; M432-P520 VanDerWaalsContact CE-CB 3.45Å; M432-P520 HydrophobicContact SD-CB 4.45Å; M432-S521 WeakPolarHBondContact CA-O 3.39Å; M432-S521 WeakPolarHBondContact CB-O 3.45Å; M432-S521 WeakPolarHBondContact CG-O 3.48Å; M432-V546 HydrophobicContact SD-CG1 4.28Å |
| 433 | K | 91 | Very high | 93.8 | Very high | 17 Ų | 17 | 33 Ų | 33 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 102.6 | 171.2 | -163.6 | -178 | -168.2 | -171.7 | 0 | 109.1 | G298 T301 N339 G419 V437 G514 | G298-K433 WeakPolarHBondContact O-CE 3.48Å; G298-K433 PolarHBondContact O-NZ 3.49Å; T301-K433 HydrophobicContact CG2-CB 3.91Å; N339-K433 VanDerWaalsContact OD1-CE 3.24Å; N339-K433 WeakPolarHBondContact OD1-CE 3.48Å; N339-K433 PolarHBondContact OD1-NZ 3.42Å; G419-K433 CarbonylContact O-C 3.48Å; G419-K433 WeakPolarHBondContact O-CA 3.37Å; K433-V437 WeakPolarHBondContact O-CG2 3.19Å; K433-G514 PolarHBondContact NZ-O 2.91Å |
| 434 | T | 89.8 | Confident | 93.8 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | trans | -85.4 | -21.2 | -179.5 | 55.5 | 0 | 0 | 0 | 0 | 113 | G419 K421 M432 A436 V437 Q442 | G419-T434 PolarHBondContact O-N 2.82Å; G419-T434 PolarHBondContact O-OG1 3.45Å; K421-T434 HydrophobicContact CB-CG2 3.89Å; M432-T434 HydrophobicContact CE-CG2 4.24Å; M432-T434 HydrophobicContact CG-CG2 4.19Å; M432-T434 PolarHBondContact O-N 3Å; M432-T434 HydrophobicContact SD-CG2 4.42Å; T434-A436 VanDerWaalsContact C-N 3.27Å; T434-A436 PolarHBondContact O-N 3.01Å; T434-V437 PolarHBondContact O-N 3.42Å; T434-V437 VanDerWaalsContact O-N 3.15Å; T434-Q442 PolarHBondContact O-NE2 3.22Å | ||
| 435 | S | 86.6 | Confident | 93.8 | Very high | 28 Ų | 28 | 36 Ų | 36 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -28 | -177.9 | 43.4 | 0 | 0 | 0 | 0 | 114.9 | G419 | G419-S435 PolarHBondContact O-N 2.8Å; G419-S435 VanDerWaalsContact O-N 3.14Å; G419-S435 PolarHBondContact O-OG 3.48Å |
| 436 | A | 85.1 | Confident | 93.8 | Very high | 19 Ų | 19 | 34.4 Ų | 34.4 | 16% | 0.157 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -5.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T434 K518 | T434-A436 VanDerWaalsContact C-N 3.27Å; T434-A436 PolarHBondContact O-N 3.01Å; A436-K518 VanDerWaalsContact O-CA 3.29Å; A436-K518 WeakPolarHBondContact O-CA 3.33Å |
| 437 | V | 89.1 | Confident | 93.8 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 5% | 0.048 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -104.4 | 121.6 | -172.3 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | M432 K433 T434 N441 Q442 P520 | M432-V437 HydrophobicContact CE-CB 4.35Å; M432-V437 HydrophobicContact CE-CG1 4.18Å; M432-V437 HydrophobicContact CE-CG2 4.12Å; K433-V437 WeakPolarHBondContact O-CG2 3.19Å; T434-V437 PolarHBondContact O-N 3.42Å; T434-V437 VanDerWaalsContact O-N 3.15Å; V437-N441 HydrophobicContact CG1-CB 4.17Å; V437-Q442 HydrophobicContact CB-CG 4.17Å; V437-Q442 HydrophobicContact CG1-CG 3.79Å; V437-Q442 PolarHBondContact O-NE2 2.89Å; V437-P520 HydrophobicContact CG1-CB 4.05Å |
| 438 | P | 88.4 | Confident | 93.9 | Very high | 46 Ų | 46 | 33.1 Ų | 33.1 | 30% | 0.299 | 18% | 0.184 | S | C | . | . | trans | -54.5 | 141.6 | 174.2 | -24.2 | 33.6 | 0 | 0 | 0 | 111.9 | E440 N441 Q442 | P438-E440 VanDerWaalsContact CB-CD 3.44Å; P438-E440 HydrophobicContact CB-CG 4.35Å; P438-E440 WeakPolarHBondContact CB-OE1 3.26Å; P438-E440 WeakPolarHBondContact CB-OE2 3.27Å; P438-E440 PolarHBondContact O-N 2.94Å; P438-E440 VanDerWaalsContact O-N 3.17Å; P438-N441 CarbonylContact O-C 3.55Å; P438-N441 WeakPolarHBondContact O-CA 3.17Å; P438-N441 PolarHBondContact O-N 2.97Å; P438-Q442 PolarHBondContact O-N 3.49Å | ||
| 439 | V | 89.8 | Confident | 93.9 | Very high | 93 Ų | 93 | 33 Ų | 33 | 56% | 0.564 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -55.5 | -39 | -171.8 | 175.8 | 0 | 0 | 0 | 0 | 112 | N441 Q442 Q549 | V439-N441 PolarHBondContact O-N 3.22Å; V439-Q442 PolarHBondContact O-N 2.79Å; V439-Q549 PolarHBondContact O-NE2 3.44Å |
| 440 | E | 90.5 | Very high | 93.9 | Very high | 129 Ų | 129 | 31.1 Ų | 31.1 | 60% | 0.603 | 18% | 0.175 | S | C | * | . | G | 310 helix | trans | -67.3 | -11.9 | 178.2 | 66.8 | -87.9 | -156.5 | 0 | 0 | 114.9 | P438 K503 | P438-E440 VanDerWaalsContact CB-CD 3.44Å; P438-E440 HydrophobicContact CB-CG 4.35Å; P438-E440 WeakPolarHBondContact CB-OE1 3.26Å; P438-E440 WeakPolarHBondContact CB-OE2 3.27Å; P438-E440 PolarHBondContact O-N 2.94Å; P438-E440 VanDerWaalsContact O-N 3.17Å; E440-K503 PolarHBondContact O-NZ 3.17Å |
| 441 | N | 92.7 | Very high | 93.9 | Very high | 24 Ų | 24 | 32.1 Ų | 32.1 | 13% | 0.128 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -114.8 | 5.1 | 177.6 | -66.7 | -18.4 | 0 | 0 | 0 | 112 | V437 P438 V439 V443 K503 P520 | V437-N441 HydrophobicContact CG1-CB 4.17Å; P438-N441 CarbonylContact O-C 3.55Å; P438-N441 WeakPolarHBondContact O-CA 3.17Å; P438-N441 PolarHBondContact O-N 2.97Å; V439-N441 PolarHBondContact O-N 3.22Å; N441-V443 VanDerWaalsContact C-N 3.26Å; N441-V443 PolarHBondContact O-N 2.86Å; N441-K503 PolarHBondContact OD1-NZ 2.98Å; N441-P520 WeakPolarHBondContact O-CB 3.15Å; N441-P520 VanDerWaalsContact O-CG 3.25Å; N441-P520 WeakPolarHBondContact O-CG 3.15Å |
| 442 | Q | 94.4 | Very high | 93.8 | Very high | 28 Ų | 28 | 34.8 Ų | 34.8 | 13% | 0.131 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -77.7 | -11.7 | 177.5 | -69.6 | 178.9 | 7 | 0 | 0 | 113.3 | T434 V437 P438 V439 G548 Q549 | T434-Q442 PolarHBondContact O-NE2 3.22Å; V437-Q442 HydrophobicContact CB-CG 4.17Å; V437-Q442 HydrophobicContact CG1-CG 3.79Å; V437-Q442 PolarHBondContact O-NE2 2.89Å; P438-Q442 PolarHBondContact O-N 3.49Å; V439-Q442 PolarHBondContact O-N 2.79Å; Q442-G548 PolarHBondContact O-N 3.19Å; Q442-Q549 HydrophobicContact CB-CG 4.02Å |
| 443 | V | 97.1 | Very high | 93.8 | Very high | 58 Ų | 58 | 36.6 Ų | 36.6 | 35% | 0.352 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 115.8 | 175.4 | -171.3 | 0 | 0 | 0 | 0 | 108.6 | N441 V546 N547 Q549 | N441-V443 VanDerWaalsContact C-N 3.26Å; N441-V443 PolarHBondContact O-N 2.86Å; V443-V546 WeakPolarHBondContact CA-O 3.41Å; V443-N547 HydrophobicContact CG1-CB 4.37Å; V443-N547 WeakPolarHBondContact CG2-OD1 3.2Å; V443-Q549 HydrophobicContact CG2-CB 4.37Å; V443-Q549 HydrophobicContact CG2-CG 3.87Å |
| 444 | I | 97.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 126.9 | 177.8 | -56.2 | -66.3 | 0 | 0 | 0 | 107.7 | A446 V471 K503 A505 P520 R545 V546 | I444-A446 HydrophobicContact CG2-CB 4.18Å; I444-V471 HydrophobicContact CG2-CG2 4.23Å; I444-K503 HydrophobicContact CD1-CB 3.86Å; I444-K503 HydrophobicContact CD1-CD 3.86Å; I444-K503 HydrophobicContact CD1-CG 4.41Å; I444-A505 HydrophobicContact CB-CB 3.88Å; I444-A505 HydrophobicContact CG1-CB 4.05Å; I444-A505 HydrophobicContact CG2-CB 3.88Å; I444-P520 HydrophobicContact CD1-CG 4.49Å; I444-P520 HydrophobicContact CG1-CG 3.76Å; I444-R545 CarbonylContact O-C 3.59Å; I444-R545 WeakPolarHBondContact O-CA 3.48Å; I444-V546 PolarHBondContact N-O 2.82Å; I444-V546 PolarHBondContact O-N 3.06Å |
| 445 | E | 98.4 | Very high | 94.1 | Very high | 103 Ų | 103 | 39.5 Ų | 39.5 | 48% | 0.481 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 109.3 | 169.1 | -176.3 | 176.3 | 122.6 | 0 | 0 | 107.3 | I543 I544 R545 | E445-I543 HydrophobicContact CG-CG2 3.51Å; E445-I544 VanDerWaalsContact CA-O 3.32Å; E445-I544 WeakPolarHBondContact CA-O 3.32Å; E445-R545 HydrophobicContact CB-CB 4.48Å; E445-R545 HydrophobicContact CG-CB 4.33Å; E445-R545 IonicContact OE2-CZ 3.83Å; E445-R545 IonicContact OE2-NE 2.81Å; E445-R545 PolarHBondContact OE2-NE 3.41Å; E445-R545 IonicContact OE2-NH2 3.37Å; E445-R545 PolarHBondContact OE2-NH2 3.5Å |
| 446 | A | 98.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 163.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I444 D469 V471 I544 | I444-A446 HydrophobicContact CG2-CB 4.18Å; A446-D469 HydrophobicContact CB-CB 4.38Å; A446-V471 HydrophobicContact CB-CG2 4.12Å; A446-I544 PolarHBondContact N-O 3.4Å; A446-I544 VanDerWaalsContact N-O 3.15Å; A446-I544 PolarHBondContact O-N 3.35Å |
| 447 | P | 98.7 | Very high | 95 | Very high | 47 Ų | 47 | 40.8 Ų | 40.8 | 31% | 0.305 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 140.7 | 175.9 | -19.2 | 31.7 | 0 | 0 | 0 | 112.3 | C470 V471 D542 I543 | P447-C470 CarbonylContact O-C 3.59Å; P447-C470 VanDerWaalsContact O-CA 3.28Å; P447-C470 WeakPolarHBondContact O-CA 3.49Å; P447-C470 WeakPolarHBondContact O-CB 3.46Å; P447-V471 PolarHBondContact O-N 2.89Å; P447-D542 CarbonylContact C-O 3.58Å; P447-D542 WeakPolarHBondContact CA-O 3.17Å; P447-I543 HydrophobicContact CB-CD1 4.23Å; P447-I543 HydrophobicContact CG-CD1 3.85Å |
| 448 | A | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 140.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | V450 V471 V473 V538 D540 G541 D542 I544 | A448-V450 HydrophobicContact CB-CG2 4.32Å; A448-V471 CarbonylContact C-O 3.43Å; A448-V471 VanDerWaalsContact CA-O 3.29Å; A448-V471 WeakPolarHBondContact CA-O 3.16Å; A448-V473 HydrophobicContact CB-CG2 4.09Å; A448-V538 HydrophobicContact CB-CG1 3.84Å; A448-D540 WeakPolarHBondContact O-CA 3.41Å; A448-G541 PolarHBondContact O-N 3.44Å; A448-D542 HydrophobicContact CB-CB 4.36Å; A448-D542 WeakPolarHBondContact CB-O 3.19Å; A448-D542 PolarHBondContact N-O 3.37Å; A448-I544 HydrophobicContact CB-CD1 3.81Å; A448-I544 HydrophobicContact CB-CG1 4.34Å |
| 449 | V | 98.6 | Very high | 95.6 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111.2 | 162.3 | -174.2 | 0 | 0 | 0 | 0 | 107.2 | F451 L466 C470 V471 V473 D540 | V449-F451 HydrophobicContact CB-CE2 4.16Å; V449-F451 HydrophobicContact CG1-CD2 4.45Å; V449-F451 HydrophobicContact CG1-CE2 3.54Å; V449-F451 HydrophobicContact CG1-CZ 3.65Å; V449-L466 HydrophobicContact CB-CD2 4.16Å; V449-L466 HydrophobicContact CG1-CD2 3.84Å; V449-L466 HydrophobicContact CG2-CD2 4.22Å; V449-C470 HydrophobicContact CG2-CB 3.88Å; V449-V471 PolarHBondContact N-O 3.02Å; V449-V473 PolarHBondContact O-N 3.27Å; V449-D540 WeakPolarHBondContact CA-OD1 3.48Å |
| 450 | V | 98.4 | Very high | 95.9 | Very high | 20 Ų | 20 | 39.9 Ų | 39.9 | 12% | 0.121 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 132.7 | -166.8 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | A448 V473 R475 V538 D540 | A448-V450 HydrophobicContact CB-CG2 4.32Å; V450-V473 CarbonylContact C-O 3.59Å; V450-V473 HydrophobicContact CG2-CB 4.3Å; V450-R475 HydrophobicContact CG1-CG 4.48Å; V450-V538 HydrophobicContact CG2-CB 4.49Å; V450-V538 HydrophobicContact CG2-CG1 3.8Å; V450-D540 PolarHBondContact N-OD1 3.49Å |
| 451 | F | 97.7 | Very high | 96.2 | Very high | 21 Ų | 21 | 34.3 Ų | 34.3 | 9% | 0.092 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 149.2 | 176.2 | -60 | -82.8 | 0 | 0 | 0 | 110.5 | V449 D456 V457 A460 L466 V472 V473 V474 R475 | V449-F451 HydrophobicContact CB-CE2 4.16Å; V449-F451 HydrophobicContact CG1-CD2 4.45Å; V449-F451 HydrophobicContact CG1-CE2 3.54Å; V449-F451 HydrophobicContact CG1-CZ 3.65Å; F451-D456 HydrophobicContact CD1-CB 3.57Å; F451-D456 HydrophobicContact CE1-CB 4.24Å; F451-D456 HydrophobicContact CG-CB 4.45Å; F451-V457 HydrophobicContact CB-CG2 4.27Å; F451-V457 HydrophobicContact CD1-CG2 4.11Å; F451-V457 HydrophobicContact CD2-CG2 3.7Å; F451-V457 HydrophobicContact CE1-CG2 4.35Å; F451-V457 HydrophobicContact CE2-CG2 3.97Å; F451-V457 HydrophobicContact CG-CG2 3.76Å; F451-V457 HydrophobicContact CZ-CG2 4.27Å; F451-A460 HydrophobicContact CE1-CB 3.7Å; F451-A460 HydrophobicContact CZ-CB 3.68Å; F451-L466 HydrophobicContact CE2-CD2 4.25Å; F451-L466 HydrophobicContact CZ-CD2 4.1Å; F451-V472 HydrophobicContact CD2-CG1 3.84Å; F451-V472 HydrophobicContact CE2-CG1 3.89Å; F451-V473 PolarHBondContact N-O 3.48Å; F451-V474 HydrophobicContact CB-CG2 4.35Å; F451-V474 WeakPolarHBondContact O-CA 3.3Å; F451-R475 PolarHBondContact O-N 2.87Å; F451-R475 VanDerWaalsContact O-N 3.17Å |
| 452 | E | 93.8 | Very high | 96.4 | Very high | 57 Ų | 57 | 39.8 Ų | 39.8 | 27% | 0.266 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -97 | -16.3 | 174.2 | -56.2 | -56.6 | 150.2 | 0 | 0 | 112 | R475 H476 Q477 H568 | E452-R475 IonicContact OE1-CZ 3.39Å; E452-R475 IonicContact OE1-NE 3.57Å; E452-R475 PolarHBondContact OE1-NE 3.36Å; E452-R475 IonicContact OE1-NH2 3.17Å; E452-R475 PolarHBondContact OE1-NH2 3.22Å; E452-R475 WeakPolarHBondContact OE2-CG 3.42Å; E452-R475 IonicContact OE2-NE 2.76Å; E452-R475 PolarHBondContact OE2-NE 3.16Å; E452-H476 IonicContact OE2-CE1 3.25Å; E452-H476 IonicContact OE2-CG 3.51Å; E452-H476 IonicContact OE2-ND1 3.51Å; E452-H476 PolarHBondContact OE2-ND1 2.63Å; E452-Q477 PolarHBondContact O-NE2 2.88Å; E452-H568 IonicContact OE1-CD2 3.71Å; E452-H568 PolarHBondContact OE1-CD2 2.94Å; E452-H568 VanDerWaalsContact OE1-CD2 3.25Å; E452-H568 IonicContact OE1-NE2 3.56Å; E452-H568 IonicContact OE2-CD2 2.68Å |
| 453 | S | 93.4 | Very high | 96.5 | Very high | 37 Ų | 37 | 41.9 Ų | 41.9 | 26% | 0.259 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -143 | 149.2 | 178.3 | 179 | 0 | 0 | 0 | 0 | 112.4 | H455 D456 | S453-H455 PolarHBondContact O-N 3.47Å; S453-H455 VanDerWaalsContact O-N 3.14Å; S453-H455 PolarHBondContact OG-N 2.74Å; S453-H455 VanDerWaalsContact OG-N 3.16Å; S453-D456 WeakPolarHBondContact CB-OD2 3.26Å; S453-D456 PolarHBondContact N-OD2 3.28Å; S453-D456 VanDerWaalsContact N-OD2 3.17Å; S453-D456 PolarHBondContact O-N 3.03Å |
| 454 | Q | 94.1 | Very high | 96.4 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -17.8 | 170.7 | 73.6 | -179.8 | -68.7 | 0 | 0 | 112.9 | D456 L487 K489 L490 | Q454-D456 VanDerWaalsContact C-N 3.29Å; Q454-L487 HydrophobicContact CB-CB 4.29Å; Q454-L487 HydrophobicContact CB-CD2 4.22Å; Q454-L487 HydrophobicContact CG-CD2 4.47Å; Q454-K489 HydrophobicContact CG-CB 4.49Å; Q454-L490 HydrophobicContact CB-CD2 3.79Å; Q454-L490 HydrophobicContact CB-CG 4.07Å |
| 455 | H | 93.6 | Very high | 96.4 | Very high | 77 Ų | 77 | 45.5 Ų | 45.5 | 36% | 0.356 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -76.7 | -17.9 | 179.4 | -65.8 | 2.6 | 0 | 0 | 0 | 112.8 | S453 P459 K489 | S453-H455 PolarHBondContact O-N 3.47Å; S453-H455 VanDerWaalsContact O-N 3.14Å; S453-H455 PolarHBondContact OG-N 2.74Å; S453-H455 VanDerWaalsContact OG-N 3.16Å; H455-P459 WeakPolarHBondContact O-CD 3.4Å; H455-K489 PolarHBondContact CE1-NZ 3.38Å |
| 456 | D | 94.5 | Very high | 96.3 | Very high | 74 Ų | 74 | 40.6 Ų | 40.6 | 40% | 0.396 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -84.4 | -19.6 | -178.8 | -53.5 | -33.8 | 0 | 0 | 0 | 112.2 | F451 S453 Q454 P459 A460 | F451-D456 HydrophobicContact CD1-CB 3.57Å; F451-D456 HydrophobicContact CE1-CB 4.24Å; F451-D456 HydrophobicContact CG-CB 4.45Å; S453-D456 WeakPolarHBondContact CB-OD2 3.26Å; S453-D456 PolarHBondContact N-OD2 3.28Å; S453-D456 VanDerWaalsContact N-OD2 3.17Å; S453-D456 PolarHBondContact O-N 3.03Å; Q454-D456 VanDerWaalsContact C-N 3.29Å; D456-P459 WeakPolarHBondContact O-CD 3.43Å; D456-A460 PolarHBondContact O-N 2.96Å |
| 457 | V | 96.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.3 | -40 | -175.2 | 178.6 | 0 | 0 | 0 | 0 | 112.3 | F451 A460 F461 L466 V472 V474 L490 P493 | F451-V457 HydrophobicContact CB-CG2 4.27Å; F451-V457 HydrophobicContact CD1-CG2 4.11Å; F451-V457 HydrophobicContact CD2-CG2 3.7Å; F451-V457 HydrophobicContact CE1-CG2 4.35Å; F451-V457 HydrophobicContact CE2-CG2 3.97Å; F451-V457 HydrophobicContact CG-CG2 3.76Å; F451-V457 HydrophobicContact CZ-CG2 4.27Å; V457-A460 PolarHBondContact O-N 3.41Å; V457-F461 WeakPolarHBondContact O-CB 3.37Å; V457-F461 PolarHBondContact O-N 3.16Å; V457-L466 HydrophobicContact CG1-CD1 3.99Å; V457-V472 HydrophobicContact CG2-CG1 4.39Å; V457-V474 HydrophobicContact CG2-CG2 4.35Å; V457-L490 HydrophobicContact CB-CD2 3.75Å; V457-L490 HydrophobicContact CG1-CD2 3.99Å; V457-L490 HydrophobicContact CG2-CD2 3.47Å; V457-L490 VanDerWaalsContact CG2-CD2 3.47Å; V457-P493 HydrophobicContact CG1-CG 4.5Å |
| 458 | M | 93.5 | Very high | 96.2 | Very high | 46 Ų | 46 | 47.6 Ų | 47.6 | 23% | 0.227 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.6 | -46.7 | -179.4 | -169.1 | 69.6 | -166 | 0 | 0 | 112.2 | A198 A460 F461 E462 P493 | A198-M458 HydrophobicContact CB-CE 4.08Å; A198-M458 WeakPolarHBondContact O-CE 3.42Å; M458-A460 VanDerWaalsContact C-N 3.29Å; M458-A460 PolarHBondContact O-N 3.43Å; M458-F461 HydrophobicContact CE-CD1 3.77Å; M458-F461 HydrophobicContact CE-CE1 4.13Å; M458-F461 WeakPolarHBondContact O-CB 3.48Å; M458-F461 PolarHBondContact O-N 3.41Å; M458-F461 VanDerWaalsContact O-N 3.14Å; M458-F461 HydrophobicContact SD-CD1 3.99Å; M458-E462 HydrophobicContact CE-CG 3.94Å; M458-E462 WeakPolarHBondContact CE-OE1 3.47Å; M458-E462 WeakPolarHBondContact O-CG 3.34Å; M458-E462 PolarHBondContact O-N 2.91Å; M458-P493 HydrophobicContact SD-CB 4.09Å; M458-P493 HydrophobicContact SD-CG 4.17Å |
| 459 | P | 96.6 | Very high | 96.2 | Very high | 72 Ų | 72 | 51.3 Ų | 51.3 | 47% | 0.468 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.2 | -40.2 | 171.8 | -27.2 | 35.5 | 0 | 0 | 0 | 113.6 | H455 D456 E462 A463 | H455-P459 WeakPolarHBondContact O-CD 3.4Å; D456-P459 WeakPolarHBondContact O-CD 3.43Å; P459-E462 PolarHBondContact O-N 3.01Å; P459-A463 WeakPolarHBondContact O-CB 3.46Å; P459-A463 PolarHBondContact O-N 3.23Å |
| 460 | A | 97.3 | Very high | 96.2 | Very high | 10 Ų | 10 | 50.7 Ų | 50.7 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.1 | -37.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F451 D456 V457 M458 A463 G464 L465 L466 | F451-A460 HydrophobicContact CE1-CB 3.7Å; F451-A460 HydrophobicContact CZ-CB 3.68Å; D456-A460 PolarHBondContact O-N 2.96Å; V457-A460 PolarHBondContact O-N 3.41Å; M458-A460 VanDerWaalsContact C-N 3.29Å; M458-A460 PolarHBondContact O-N 3.43Å; A460-A463 PolarHBondContact O-N 2.85Å; A460-G464 PolarHBondContact O-N 3.4Å; A460-L465 HydrophobicContact CB-CB 4.41Å; A460-L465 HydrophobicContact CB-CD1 4.35Å; A460-L465 WeakPolarHBondContact O-CB 3.31Å; A460-L465 PolarHBondContact O-N 3.25Å; A460-L466 HydrophobicContact CB-CD1 4.46Å; A460-L466 HydrophobicContact CB-CG 4.32Å |
| 461 | F | 96.8 | Very high | 96.2 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 5% | 0.053 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 172.6 | 172.1 | -99.4 | 0 | 0 | 0 | 111.7 | V457 M458 A463 G464 L466 P493 V496 L497 | V457-F461 WeakPolarHBondContact O-CB 3.37Å; V457-F461 PolarHBondContact O-N 3.16Å; M458-F461 HydrophobicContact CE-CD1 3.77Å; M458-F461 HydrophobicContact CE-CE1 4.13Å; M458-F461 WeakPolarHBondContact O-CB 3.48Å; M458-F461 PolarHBondContact O-N 3.41Å; M458-F461 VanDerWaalsContact O-N 3.14Å; M458-F461 HydrophobicContact SD-CD1 3.99Å; F461-A463 VanDerWaalsContact C-N 3.27Å; F461-A463 PolarHBondContact O-N 2.9Å; F461-G464 PolarHBondContact O-N 2.81Å; F461-L466 HydrophobicContact CB-CD1 4.17Å; F461-P493 HydrophobicContact CB-CB 3.99Å; F461-P493 HydrophobicContact CD1-CB 3.93Å; F461-P493 HydrophobicContact CD2-CB 3.78Å; F461-P493 HydrophobicContact CE1-CB 4.37Å; F461-P493 HydrophobicContact CE2-CB 4.24Å; F461-P493 HydrophobicContact CG-CB 3.61Å; F461-V496 HydrophobicContact CE2-CB 4.16Å; F461-V496 HydrophobicContact CE2-CG1 4.09Å; F461-V496 HydrophobicContact CZ-CB 3.97Å; F461-V496 HydrophobicContact CZ-CG1 3.76Å; F461-L497 HydrophobicContact CD2-CD1 4.27Å; F461-L497 HydrophobicContact CD2-CD2 3.93Å; F461-L497 HydrophobicContact CD2-CG 3.96Å; F461-L497 HydrophobicContact CE2-CD2 3.81Å; F461-L497 HydrophobicContact CE2-CG 3.91Å |
| 462 | E | 95.6 | Very high | 96.3 | Very high | 139 Ų | 139 | 48.8 Ų | 48.8 | 65% | 0.65 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.3 | -34.5 | 178.3 | -71.2 | 172.7 | 177.9 | 0 | 0 | 112.4 | M458 P459 G464 | M458-E462 HydrophobicContact CE-CG 3.94Å; M458-E462 WeakPolarHBondContact CE-OE1 3.47Å; M458-E462 WeakPolarHBondContact O-CG 3.34Å; M458-E462 PolarHBondContact O-N 2.91Å; P459-E462 PolarHBondContact O-N 3.01Å; E462-G464 PolarHBondContact O-N 3.32Å |
| 463 | A | 96.6 | Very high | 96.5 | Very high | 71 Ų | 71 | 46 Ų | 46 | 59% | 0.587 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -2.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | P459 A460 F461 L465 | P459-A463 WeakPolarHBondContact O-CB 3.46Å; P459-A463 PolarHBondContact O-N 3.23Å; A460-A463 PolarHBondContact O-N 2.85Å; F461-A463 VanDerWaalsContact C-N 3.27Å; F461-A463 PolarHBondContact O-N 2.9Å; A463-L465 HydrophobicContact CB-CD1 4.25Å; A463-L465 HydrophobicContact CB-CG 3.98Å; A463-L465 PolarHBondContact O-N 3.02Å |
| 464 | G | 96.2 | Very high | 96.7 | Very high | 29 Ų | 29 | 44.3 Ų | 44.3 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 10.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | A460 F461 E462 L466 D467 | A460-G464 PolarHBondContact O-N 3.4Å; F461-G464 PolarHBondContact O-N 2.81Å; E462-G464 PolarHBondContact O-N 3.32Å; G464-L466 PolarHBondContact O-N 3.07Å; G464-D467 PolarHBondContact O-N 2.86Å |
| 465 | L | 96.4 | Very high | 96.9 | Very high | 109 Ų | 109 | 44.5 Ų | 44.5 | 57% | 0.571 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -18.4 | -178.1 | -61.4 | 177.5 | 0 | 0 | 0 | 113 | A460 A463 R468 | A460-L465 HydrophobicContact CB-CB 4.41Å; A460-L465 HydrophobicContact CB-CD1 4.35Å; A460-L465 WeakPolarHBondContact O-CB 3.31Å; A460-L465 PolarHBondContact O-N 3.25Å; A463-L465 HydrophobicContact CB-CD1 4.25Å; A463-L465 HydrophobicContact CB-CG 3.98Å; A463-L465 PolarHBondContact O-N 3.02Å; L465-R468 PolarHBondContact O-NE 3.47Å |
| 466 | L | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 3.4 | 178.4 | -56.8 | -178 | 0 | 0 | 0 | 113.4 | V449 F451 V457 A460 F461 G464 R468 V472 L497 | V449-L466 HydrophobicContact CB-CD2 4.16Å; V449-L466 HydrophobicContact CG1-CD2 3.84Å; V449-L466 HydrophobicContact CG2-CD2 4.22Å; F451-L466 HydrophobicContact CE2-CD2 4.25Å; F451-L466 HydrophobicContact CZ-CD2 4.1Å; V457-L466 HydrophobicContact CG1-CD1 3.99Å; A460-L466 HydrophobicContact CB-CD1 4.46Å; A460-L466 HydrophobicContact CB-CG 4.32Å; F461-L466 HydrophobicContact CB-CD1 4.17Å; G464-L466 PolarHBondContact O-N 3.07Å; L466-R468 PolarHBondContact O-N 3.25Å; L466-V472 HydrophobicContact CD2-CG2 4.33Å; L466-L497 HydrophobicContact CB-CD1 3.58Å; L466-L497 HydrophobicContact CB-CD2 4.34Å; L466-L497 HydrophobicContact CD1-CD1 4.26Å; L466-L497 WeakPolarHBondContact O-CD2 3.22Å |
| 467 | D | 97.2 | Very high | 97.2 | Very high | 66 Ų | 66 | 37.9 Ų | 37.9 | 35% | 0.353 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -76.1 | 56.3 | 177.7 | -74.2 | -27.9 | 0 | 0 | 0 | 111.5 | G464 L497 R500 F502 | G464-D467 PolarHBondContact O-N 2.86Å; D467-L497 WeakPolarHBondContact OD1-CD2 3.35Å; D467-R500 IonicContact OD1-NH1 3.46Å; D467-R500 PolarHBondContact OD1-NH1 3.41Å; D467-R500 IonicContact OD2-NH1 2.62Å; D467-F502 VanDerWaalsContact C-CE1 3.45Å; D467-F502 HydrophobicContact CB-CE2 3.88Å; D467-F502 HydrophobicContact CB-CZ 3.86Å; D467-F502 WeakPolarHBondContact O-CE1 3.45Å; D467-F502 VanDerWaalsContact O-CZ 3.23Å; D467-F502 WeakPolarHBondContact O-CZ 3.41Å |
| 468 | R | 97.9 | Very high | 97.3 | Very high | 132 Ų | 132 | 37.8 Ų | 37.8 | 50% | 0.498 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -162.1 | 163.5 | 178.8 | 59.1 | -176.4 | 176.7 | 172.8 | 4.6 | 110.4 | L465 L466 C470 I504 | L465-R468 PolarHBondContact O-NE 3.47Å; L466-R468 PolarHBondContact O-N 3.25Å; R468-C470 PolarHBondContact O-N 3.4Å; R468-C470 PolarHBondContact O-SG 3.46Å; R468-C470 VanDerWaalsContact O-SG 3.41Å; R468-I504 WeakPolarHBondContact O-CD1 3.46Å |
| 469 | D | 98.4 | Very high | 97.5 | Very high | 78 Ų | 78 | 35.7 Ų | 35.7 | 42% | 0.417 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -60.4 | 125.4 | 169 | -64.7 | -6.4 | 0 | 0 | 0 | 109.5 | A446 F502 K503 | A446-D469 HydrophobicContact CB-CB 4.38Å; D469-F502 WeakPolarHBondContact OD1-CA 3.39Å; D469-K503 WeakPolarHBondContact CA-O 3.3Å; D469-K503 HydrophobicContact CB-CB 4.09Å; D469-K503 PolarHBondContact OD1-N 3.48Å |
| 470 | C | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 157 | -178 | 58.9 | 0 | 0 | 0 | 0 | 113.3 | P447 V449 R468 K503 I504 A505 | P447-C470 CarbonylContact O-C 3.59Å; P447-C470 VanDerWaalsContact O-CA 3.28Å; P447-C470 WeakPolarHBondContact O-CA 3.49Å; P447-C470 WeakPolarHBondContact O-CB 3.46Å; V449-C470 HydrophobicContact CG2-CB 3.88Å; R468-C470 PolarHBondContact O-N 3.4Å; R468-C470 PolarHBondContact O-SG 3.46Å; R468-C470 VanDerWaalsContact O-SG 3.41Å; C470-K503 PolarHBondContact N-O 2.93Å; C470-I504 WeakPolarHBondContact O-CA 3.41Å; C470-I504 WeakPolarHBondContact SG-CD1 3.41Å; C470-A505 PolarHBondContact O-N 3.25Å |
| 471 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 108.4 | 165.1 | -178.3 | 0 | 0 | 0 | 0 | 108 | I444 A446 P447 A448 V449 V473 A505 V507 I544 V546 | I444-V471 HydrophobicContact CG2-CG2 4.23Å; A446-V471 HydrophobicContact CB-CG2 4.12Å; P447-V471 PolarHBondContact O-N 2.89Å; A448-V471 CarbonylContact C-O 3.43Å; A448-V471 VanDerWaalsContact CA-O 3.29Å; A448-V471 WeakPolarHBondContact CA-O 3.16Å; V449-V471 PolarHBondContact N-O 3.02Å; V471-V473 HydrophobicContact CG1-CG2 4.16Å; V471-V473 PolarHBondContact O-N 3.25Å; V471-A505 CarbonylContact C-O 3.58Å; V471-A505 WeakPolarHBondContact CA-O 3.38Å; V471-A505 HydrophobicContact CG1-CB 4.42Å; V471-A505 HydrophobicContact CG2-CB 4.31Å; V471-V507 HydrophobicContact CG1-CB 4.27Å; V471-V507 HydrophobicContact CG1-CG2 3.49Å; V471-V507 VanDerWaalsContact CG1-CG2 3.49Å; V471-I544 HydrophobicContact CB-CB 4.16Å; V471-I544 HydrophobicContact CB-CD1 4.5Å; V471-I544 HydrophobicContact CG1-CB 4.15Å; V471-I544 HydrophobicContact CG1-CD1 4.14Å; V471-I544 HydrophobicContact CG1-CG2 4.1Å; V471-I544 HydrophobicContact CG2-CB 4.01Å; V471-I544 HydrophobicContact CG2-CG2 4.4Å; V471-V546 HydrophobicContact CG1-CG2 4.41Å |
| 472 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 118 | 174 | 175.3 | 0 | 0 | 0 | 0 | 108 | F451 V457 L466 V474 L494 A505 L506 V507 | F451-V472 HydrophobicContact CD2-CG1 3.84Å; F451-V472 HydrophobicContact CE2-CG1 3.89Å; V457-V472 HydrophobicContact CG2-CG1 4.39Å; L466-V472 HydrophobicContact CD2-CG2 4.33Å; V472-V474 HydrophobicContact CG1-CG2 4.11Å; V472-L494 HydrophobicContact CB-CD2 4.29Å; V472-L494 HydrophobicContact CG2-CD2 3.72Å; V472-A505 PolarHBondContact N-O 3.22Å; V472-L506 HydrophobicContact CB-CD1 4.48Å; V472-L506 HydrophobicContact CG1-CD1 4.2Å; V472-L506 CarbonylContact O-C 3.55Å; V472-L506 WeakPolarHBondContact O-CA 3.42Å; V472-L506 WeakPolarHBondContact O-CD1 3.43Å; V472-V507 PolarHBondContact O-N 3.04Å |
| 473 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120 | 179.8 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | A448 V449 V450 F451 V471 V507 L535 V538 I544 | A448-V473 HydrophobicContact CB-CG2 4.09Å; V449-V473 PolarHBondContact O-N 3.27Å; V450-V473 CarbonylContact C-O 3.59Å; V450-V473 HydrophobicContact CG2-CB 4.3Å; F451-V473 PolarHBondContact N-O 3.48Å; V471-V473 HydrophobicContact CG1-CG2 4.16Å; V471-V473 PolarHBondContact O-N 3.25Å; V473-V507 WeakPolarHBondContact CA-O 3.27Å; V473-V507 HydrophobicContact CG2-CB 4.36Å; V473-L535 HydrophobicContact CG1-CD1 3.7Å; V473-L535 HydrophobicContact CG1-CG 4.38Å; V473-V538 HydrophobicContact CG2-CG1 4.27Å; V473-I544 HydrophobicContact CG2-CD1 3.55Å |
| 474 | V | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 103.9 | 173.9 | -167.1 | 0 | 0 | 0 | 0 | 108 | F451 V457 V472 Q477 L487 L490 L506 V507 T508 | F451-V474 HydrophobicContact CB-CG2 4.35Å; F451-V474 WeakPolarHBondContact O-CA 3.3Å; V457-V474 HydrophobicContact CG2-CG2 4.35Å; V472-V474 HydrophobicContact CG1-CG2 4.11Å; V474-Q477 HydrophobicContact CG1-CG 3.75Å; V474-L487 HydrophobicContact CB-CD1 4.3Å; V474-L487 HydrophobicContact CG1-CD1 4.21Å; V474-L490 HydrophobicContact CG2-CD1 3.9Å; V474-L490 HydrophobicContact CG2-CD2 4.31Å; V474-L506 HydrophobicContact CG2-CD1 3.98Å; V474-V507 PolarHBondContact N-O 3.41Å; V474-T508 VanDerWaalsContact O-CA 3.28Å; V474-T508 WeakPolarHBondContact O-CA 3.29Å; V474-T508 WeakPolarHBondContact O-CB 3.25Å; V474-T508 PolarHBondContact O-OG1 3.35Å |
| 475 | R | 97.3 | Very high | 97.6 | Very high | 18 Ų | 18 | 22.5 Ų | 22.5 | 7% | 0.068 | 11% | 0.106 | C | C | . | . | trans | -103.7 | 172 | -174.2 | 61.4 | 172 | -179.8 | -147.6 | -7.1 | 112.1 | V450 F451 E452 Q477 D509 A529 L535 A536 V538 H568 | V450-R475 HydrophobicContact CG1-CG 4.48Å; F451-R475 PolarHBondContact O-N 2.87Å; F451-R475 VanDerWaalsContact O-N 3.17Å; E452-R475 IonicContact OE1-CZ 3.39Å; E452-R475 IonicContact OE1-NE 3.57Å; E452-R475 PolarHBondContact OE1-NE 3.36Å; E452-R475 IonicContact OE1-NH2 3.17Å; E452-R475 PolarHBondContact OE1-NH2 3.22Å; E452-R475 WeakPolarHBondContact OE2-CG 3.42Å; E452-R475 IonicContact OE2-NE 2.76Å; E452-R475 PolarHBondContact OE2-NE 3.16Å; R475-Q477 PolarHBondContact O-N 3.47Å; R475-Q477 PolarHBondContact O-NE2 3.38Å; R475-Q477 VanDerWaalsContact O-NE2 3.14Å; R475-D509 WeakPolarHBondContact CA-OD1 3.25Å; R475-A529 HydrophobicContact CB-CB 3.97Å; R475-L535 HydrophobicContact CB-CD2 3.89Å; R475-L535 HydrophobicContact CB-CG 3.95Å; R475-A536 PolarHBondContact NH1-O 2.83Å; R475-V538 PolarHBondContact NH1-O 3.39Å; R475-H568 VanDerWaalsContact NH2-CB 3.32Å; R475-H568 PolarHBondContact NH2-CD2 3.17Å; R475-H568 VanDerWaalsContact NH2-CG 3.31Å | ||
| 476 | H | 97.2 | Very high | 97.5 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | S | Bend | trans | 59.9 | 32.5 | -176.4 | -52.9 | 112 | 0 | 0 | 0 | 112.7 | E452 A481 D509 A529 H568 P570 L572 | E452-H476 IonicContact OE2-CE1 3.25Å; E452-H476 IonicContact OE2-CG 3.51Å; E452-H476 IonicContact OE2-ND1 3.51Å; E452-H476 PolarHBondContact OE2-ND1 2.63Å; H476-A481 VanDerWaalsContact C-CB 3.41Å; H476-A481 HydrophobicContact CB-CB 4.27Å; H476-A481 WeakPolarHBondContact O-CB 3.28Å; H476-D509 PolarHBondContact N-OD1 2.86Å; H476-D509 VanDerWaalsContact N-OD1 3.13Å; H476-D509 PolarHBondContact N-OD2 3.48Å; H476-A529 WeakPolarHBondContact NE2-CB 3.5Å; H476-H568 AromaticContact CE1-CD2 3.85Å; H476-P570 HydrophobicContact CB-CB 4.44Å; H476-P570 HydrophobicContact CB-CG 4.14Å; H476-P570 WeakPolarHBondContact NE2-CD 3.31Å; H476-L572 HydrophobicContact CB-CD2 4.42Å |
| 477 | Q | 97.6 | Very high | 97.4 | Very high | 9 Ų | 9 | 17.4 Ų | 17.4 | 4% | 0.042 | 8% | 0.079 | C | C | . | . | trans | -107.9 | 11.8 | 174.5 | -54.2 | -54.2 | -54.1 | 0 | 0 | 111.5 | E452 V474 R475 N482 M484 L487 D509 G510 | E452-Q477 PolarHBondContact O-NE2 2.88Å; V474-Q477 HydrophobicContact CG1-CG 3.75Å; R475-Q477 PolarHBondContact O-N 3.47Å; R475-Q477 PolarHBondContact O-NE2 3.38Å; R475-Q477 VanDerWaalsContact O-NE2 3.14Å; Q477-N482 WeakPolarHBondContact CA-OD1 3.44Å; Q477-N482 PolarHBondContact O-OD1 3.47Å; Q477-N482 PolarHBondContact OE1-ND2 2.91Å; Q477-M484 VanDerWaalsContact O-CA 3.24Å; Q477-M484 WeakPolarHBondContact O-CA 3.33Å; Q477-M484 WeakPolarHBondContact O-CG 3.46Å; Q477-L487 HydrophobicContact CB-CD1 4.17Å; Q477-L487 HydrophobicContact CB-CD2 4.35Å; Q477-L487 HydrophobicContact CG-CD1 3.89Å; Q477-L487 HydrophobicContact CG-CD2 4.07Å; Q477-D509 WeakPolarHBondContact CA-OD1 3.36Å; Q477-D509 PolarHBondContact N-OD1 3.35Å; Q477-G510 WeakPolarHBondContact O-CA 3.39Å; Q477-G510 PolarHBondContact O-N 3.09Å | ||
| 478 | G | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -73.8 | 176.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | K480 A481 N482 G483 M484 D509 E528 | G478-K480 PolarHBondContact O-N 3.41Å; G478-A481 PolarHBondContact O-N 2.94Å; G478-N482 PolarHBondContact O-N 3.25Å; G478-G483 PolarHBondContact O-N 3.23Å; G478-M484 PolarHBondContact O-N 3.19Å; G478-M484 VanDerWaalsContact O-N 3.15Å; G478-D509 WeakPolarHBondContact CA-O 3.29Å; G478-E528 WeakPolarHBondContact CA-OE2 3.37Å |
| 479 | P | 98.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.013 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -49.4 | -53.9 | 177.8 | -27.6 | 33.6 | 0 | 0 | 0 | 113.9 | G483 M484 E528 R588 L591 A598 | P479-G483 WeakPolarHBondContact O-CA 3.36Å; P479-G483 PolarHBondContact O-N 3.33Å; P479-M484 HydrophobicContact CG-CB 4.36Å; P479-M484 HydrophobicContact CG-CG 4.38Å; P479-M484 HydrophobicContact CG-SD 3.73Å; P479-E528 VanDerWaalsContact CD-OE1 3.23Å; P479-E528 WeakPolarHBondContact CD-OE1 3.49Å; P479-R588 WeakPolarHBondContact O-CG 3.25Å; P479-L591 HydrophobicContact CB-CB 3.7Å; P479-L591 HydrophobicContact CB-CD1 3.91Å; P479-L591 HydrophobicContact CB-CG 4.43Å; P479-L591 WeakPolarHBondContact O-CD1 3.46Å; P479-A598 HydrophobicContact CB-CB 4.25Å; P479-A598 HydrophobicContact CG-CB 3.81Å |
| 480 | K | 97.7 | Very high | 96.4 | Very high | 48 Ų | 48 | 9.9 Ų | 9.9 | 21% | 0.209 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -79.2 | -31.6 | -177.5 | -66.2 | 178.5 | -176 | 162.4 | 0 | 112.2 | G478 E528 Y530 D531 R576 R588 L591 | G478-K480 PolarHBondContact O-N 3.41Å; K480-E528 WeakPolarHBondContact CB-OE1 3.22Å; K480-E528 PolarHBondContact N-OE1 3.04Å; K480-E528 PolarHBondContact N-OE2 3.26Å; K480-Y530 HydrophobicContact CB-CD1 3.65Å; K480-Y530 HydrophobicContact CB-CE1 3.94Å; K480-D531 VanDerWaalsContact CD-OD1 3.31Å; K480-D531 WeakPolarHBondContact CD-OD1 2.97Å; K480-D531 WeakPolarHBondContact CE-OD2 3.24Å; K480-D531 IonicContact NZ-OD1 3.7Å; K480-D531 PolarHBondContact NZ-OD1 2.93Å; K480-D531 IonicContact NZ-OD2 2.75Å; K480-D531 PolarHBondContact NZ-OD2 3.48Å; K480-R576 PolarHBondContact O-NH2 2.71Å; K480-R588 WeakPolarHBondContact O-CD 3.33Å; K480-L591 WeakPolarHBondContact CE-O 3.28Å |
| 481 | A | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -58.6 | -56.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | H476 G478 E528 Y530 L572 R576 | H476-A481 VanDerWaalsContact C-CB 3.41Å; H476-A481 HydrophobicContact CB-CB 4.27Å; H476-A481 WeakPolarHBondContact O-CB 3.28Å; G478-A481 PolarHBondContact O-N 2.94Å; A481-E528 VanDerWaalsContact CB-OE2 3.31Å; A481-E528 WeakPolarHBondContact CB-OE2 3.33Å; A481-E528 PolarHBondContact N-OE2 2.87Å; A481-Y530 HydrophobicContact CB-CG 4.27Å; A481-L572 HydrophobicContact CB-CD1 4.24Å; A481-R576 PolarHBondContact O-NH1 2.73Å; A481-R576 PolarHBondContact O-NH2 3.49Å |
| 482 | N | 96.9 | Very high | 95.7 | Very high | 4 Ų | 4 | 12.6 Ų | 12.6 | 2% | 0.021 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -151.7 | 27.1 | -177.9 | 65.3 | -6.6 | 0 | 0 | 0 | 113.7 | E123 Q477 G478 M484 P485 | E123-N482 WeakPolarHBondContact CA-O 3.4Å; E123-N482 WeakPolarHBondContact CB-O 3.32Å; E123-N482 HydrophobicContact CG-CB 4.28Å; E123-N482 WeakPolarHBondContact CG-O 3.4Å; Q477-N482 WeakPolarHBondContact CA-OD1 3.44Å; Q477-N482 PolarHBondContact O-OD1 3.47Å; Q477-N482 PolarHBondContact OE1-ND2 2.91Å; G478-N482 PolarHBondContact O-N 3.25Å; N482-M484 VanDerWaalsContact C-N 3.29Å; N482-M484 PolarHBondContact O-N 2.86Å; N482-P485 WeakPolarHBondContact OD1-CD 3.5Å |
| 483 | G | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | S | Bend | trans | 78.4 | 13.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L126 G478 P479 | L126-G483 WeakPolarHBondContact CB-O 3.24Å; G478-G483 PolarHBondContact O-N 3.23Å; P479-G483 WeakPolarHBondContact O-CA 3.36Å; P479-G483 PolarHBondContact O-N 3.33Å |
| 484 | M | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | trans | 56 | 63.3 | 174.7 | -146.1 | -173.7 | 75.5 | 0 | 0 | 114.8 | L126 M305 Q477 G478 P479 N482 R511 A594 | L126-M484 HydrophobicContact CD2-CB 3.91Å; L126-M484 HydrophobicContact CD2-CE 3.72Å; L126-M484 HydrophobicContact CD2-SD 4.27Å; M305-M484 HydrophobicContact CE-CE 3.25Å; M305-M484 HydrophobicContact SD-CE 3.18Å; M305-M484 WeakPolarHBondContact SD-CE 3.31Å; M305-M484 HydrophobicContact SD-SD 3.84Å; Q477-M484 VanDerWaalsContact O-CA 3.24Å; Q477-M484 WeakPolarHBondContact O-CA 3.33Å; Q477-M484 WeakPolarHBondContact O-CG 3.46Å; G478-M484 PolarHBondContact O-N 3.19Å; G478-M484 VanDerWaalsContact O-N 3.15Å; P479-M484 HydrophobicContact CG-CB 4.36Å; P479-M484 HydrophobicContact CG-CG 4.38Å; P479-M484 HydrophobicContact CG-SD 3.73Å; N482-M484 VanDerWaalsContact C-N 3.29Å; N482-M484 PolarHBondContact O-N 2.86Å; M484-R511 HydrophobicContact CE-CB 4Å; M484-R511 HydrophobicContact CE-CG 3.83Å; M484-R511 HydrophobicContact CG-CG 4.33Å; M484-R511 PolarHBondContact O-NE 2.91Å; M484-R511 PolarHBondContact O-NH2 3.46Å; M484-A594 HydrophobicContact SD-CB 4.39Å | ||
| 485 | P | 96 | Very high | 95 | Very high | 3 Ų | 3 | 12.9 Ų | 12.9 | 2% | 0.019 | 6% | 0.062 | C | C | . | . | trans | -64.9 | 155.5 | 179.1 | 29.6 | -35 | 0 | 0 | 0 | 111.7 | M122 E123 N482 L487 R511 | M122-P485 HydrophobicContact CB-CB 3.99Å; M122-P485 HydrophobicContact CG-CB 3.78Å; E123-P485 HydrophobicContact CG-CB 4.33Å; E123-P485 HydrophobicContact CG-CG 4.26Å; N482-P485 WeakPolarHBondContact OD1-CD 3.5Å; P485-L487 HydrophobicContact CG-CD2 3.98Å; P485-R511 VanDerWaalsContact O-CG 3.3Å; P485-R511 WeakPolarHBondContact O-CG 3.34Å | ||
| 486 | E | 94.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 12.3 Ų | 12.3 | 1% | 0.009 | 6% | 0.06 | C | C | . | . | B | Isolated β-bridge | trans | -77.3 | 122.3 | 164.5 | -64.9 | -178.9 | 173.7 | 0 | 0 | 109.9 | M122 K156 N302 H488 R511 S513 | M122-E486 HydrophobicContact CE-CB 3.48Å; M122-E486 VanDerWaalsContact CE-CB 3.48Å; M122-E486 HydrophobicContact CE-CG 3.45Å; M122-E486 VanDerWaalsContact CE-CG 3.45Å; K156-E486 IonicContact NZ-OE1 3.21Å; N302-E486 PolarHBondContact ND2-OE1 3.32Å; E486-H488 PolarHBondContact O-N 3.3Å; E486-R511 WeakPolarHBondContact CA-O 3.4Å; E486-R511 HydrophobicContact CG-CG 3.88Å; E486-S513 VanDerWaalsContact CD-CA 3.48Å; E486-S513 VanDerWaalsContact OE2-CA 3.26Å; E486-S513 WeakPolarHBondContact OE2-CA 3.39Å; E486-S513 WeakPolarHBondContact OE2-CB 3.47Å |
| 487 | L | 94.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | trans | -84.7 | 59 | -174.6 | -50.1 | 177.3 | 0 | 0 | 0 | 111.5 | Q454 V474 Q477 P485 K489 L490 T508 R511 L512 | Q454-L487 HydrophobicContact CB-CB 4.29Å; Q454-L487 HydrophobicContact CB-CD2 4.22Å; Q454-L487 HydrophobicContact CG-CD2 4.47Å; V474-L487 HydrophobicContact CB-CD1 4.3Å; V474-L487 HydrophobicContact CG1-CD1 4.21Å; Q477-L487 HydrophobicContact CB-CD1 4.17Å; Q477-L487 HydrophobicContact CB-CD2 4.35Å; Q477-L487 HydrophobicContact CG-CD1 3.89Å; Q477-L487 HydrophobicContact CG-CD2 4.07Å; P485-L487 HydrophobicContact CG-CD2 3.98Å; L487-K489 VanDerWaalsContact C-N 3.26Å; L487-K489 PolarHBondContact O-N 3.49Å; L487-L490 HydrophobicContact CB-CD1 3.5Å; L487-L490 HydrophobicContact CB-CG 3.89Å; L487-L490 HydrophobicContact CD1-CD1 3.82Å; L487-L490 HydrophobicContact CG-CD1 4.32Å; L487-L490 WeakPolarHBondContact O-CB 3.26Å; L487-L490 WeakPolarHBondContact O-CG 3.35Å; L487-L490 PolarHBondContact O-N 3.18Å; L487-T508 HydrophobicContact CD1-CG2 4.15Å; L487-T508 WeakPolarHBondContact CD1-OG1 3.24Å; L487-R511 PolarHBondContact N-O 2.93Å; L487-L512 HydrophobicContact CB-CD2 4.08Å | ||
| 488 | H | 88.4 | Confident | 94.5 | Very high | 35 Ų | 35 | 12.6 Ų | 12.6 | 16% | 0.162 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -59.2 | -33.1 | -171 | -173.6 | 64.3 | 0 | 0 | 0 | 114 | Q117 R194 E486 L490 M491 | Q117-H488 HydrophobicContact CB-CB 4.05Å; Q117-H488 HydrophobicContact CG-CB 3.91Å; R194-H488 PolarHBondContact NH1-CE1 3.26Å; R194-H488 VanDerWaalsContact NH1-CE1 3.27Å; R194-H488 PolarHBondContact NH1-NE2 3.45Å; E486-H488 PolarHBondContact O-N 3.3Å; H488-L490 PolarHBondContact O-N 3.42Å; H488-L490 VanDerWaalsContact O-N 3.15Å; H488-M491 PolarHBondContact O-N 2.72Å |
| 489 | K | 90.3 | Very high | 94.2 | Very high | 84 Ų | 84 | 17 Ų | 17 | 37% | 0.365 | 9% | 0.086 | S | C | . | . | G | 310 helix | trans | -67.1 | -14.9 | -177 | -67 | -174.8 | 177.8 | 171.5 | 0 | 113.6 | G118 Q454 H455 L487 P493 | G118-K489 WeakPolarHBondContact O-CE 3.47Å; G118-K489 PolarHBondContact O-NZ 2.82Å; Q454-K489 HydrophobicContact CG-CB 4.49Å; H455-K489 PolarHBondContact CE1-NZ 3.38Å; L487-K489 VanDerWaalsContact C-N 3.26Å; L487-K489 PolarHBondContact O-N 3.49Å; K489-P493 VanDerWaalsContact O-CD 3.29Å; K489-P493 WeakPolarHBondContact O-CD 3.47Å |
| 490 | L | 93.7 | Very high | 94 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -73.8 | -33.1 | 179.6 | -58 | -176.2 | 0 | 0 | 0 | 112.7 | Q454 V457 V474 L487 H488 P493 L494 L506 | Q454-L490 HydrophobicContact CB-CD2 3.79Å; Q454-L490 HydrophobicContact CB-CG 4.07Å; V457-L490 HydrophobicContact CB-CD2 3.75Å; V457-L490 HydrophobicContact CG1-CD2 3.99Å; V457-L490 HydrophobicContact CG2-CD2 3.47Å; V457-L490 VanDerWaalsContact CG2-CD2 3.47Å; V474-L490 HydrophobicContact CG2-CD1 3.9Å; V474-L490 HydrophobicContact CG2-CD2 4.31Å; L487-L490 HydrophobicContact CB-CD1 3.5Å; L487-L490 HydrophobicContact CB-CG 3.89Å; L487-L490 HydrophobicContact CD1-CD1 3.82Å; L487-L490 HydrophobicContact CG-CD1 4.32Å; L487-L490 WeakPolarHBondContact O-CB 3.26Å; L487-L490 WeakPolarHBondContact O-CG 3.35Å; L487-L490 PolarHBondContact O-N 3.18Å; H488-L490 PolarHBondContact O-N 3.42Å; H488-L490 VanDerWaalsContact O-N 3.15Å; L490-P493 WeakPolarHBondContact O-CD 3.32Å; L490-P493 WeakPolarHBondContact O-CG 3.17Å; L490-L494 HydrophobicContact CB-CD1 4.18Å; L490-L494 WeakPolarHBondContact O-CB 3.23Å; L490-L494 WeakPolarHBondContact O-CG 3.41Å; L490-L494 PolarHBondContact O-N 3.41Å; L490-L506 HydrophobicContact CD1-CD1 3.79Å; L490-L506 HydrophobicContact CD1-CD2 3.92Å |
| 491 | M | 91.4 | Very high | 93.8 | Very high | 29 Ų | 29 | 25 Ų | 25 | 14% | 0.143 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.3 | -42.8 | -167 | -63.5 | -63.7 | 95.6 | 0 | 0 | 114.3 | H488 L494 G495 L506 L512 | H488-M491 PolarHBondContact O-N 2.72Å; M491-L494 HydrophobicContact CE-CD1 4.09Å; M491-G495 PolarHBondContact O-N 3.47Å; M491-L506 HydrophobicContact CE-CD2 3.96Å; M491-L512 HydrophobicContact CE-CD1 3.61Å; M491-L512 HydrophobicContact CE-CD2 3.7Å; M491-L512 HydrophobicContact CE-CG 4.31Å; M491-L512 HydrophobicContact CG-CD2 4.49Å; M491-L512 HydrophobicContact SD-CD1 3.76Å; M491-L512 HydrophobicContact SD-CD2 4.31Å |
| 492 | P | 90.4 | Very high | 93.8 | Very high | 28 Ų | 28 | 27.4 Ų | 27.4 | 18% | 0.182 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.3 | -55 | 177.6 | -22.7 | 33.6 | 0 | 0 | 0 | 114.4 | A198 L494 G495 V496 | A198-P492 HydrophobicContact CB-CB 4.17Å; P492-L494 PolarHBondContact O-N 3.27Å; P492-G495 PolarHBondContact O-N 3.45Å; P492-V496 WeakPolarHBondContact O-CG2 3.47Å; P492-V496 PolarHBondContact O-N 3.05Å; P492-V496 VanDerWaalsContact O-N 3.08Å |
| 493 | P | 94.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.013 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.5 | -43.1 | -178.2 | 24.1 | -33.1 | 0 | 0 | 0 | 112.3 | V457 M458 F461 K489 L490 G495 V496 L497 | V457-P493 HydrophobicContact CG1-CG 4.5Å; M458-P493 HydrophobicContact SD-CB 4.09Å; M458-P493 HydrophobicContact SD-CG 4.17Å; F461-P493 HydrophobicContact CB-CB 3.99Å; F461-P493 HydrophobicContact CD1-CB 3.93Å; F461-P493 HydrophobicContact CD2-CB 3.78Å; F461-P493 HydrophobicContact CE1-CB 4.37Å; F461-P493 HydrophobicContact CE2-CB 4.24Å; F461-P493 HydrophobicContact CG-CB 3.61Å; K489-P493 VanDerWaalsContact O-CD 3.29Å; K489-P493 WeakPolarHBondContact O-CD 3.47Å; L490-P493 WeakPolarHBondContact O-CD 3.32Å; L490-P493 WeakPolarHBondContact O-CG 3.17Å; P493-G495 VanDerWaalsContact C-N 3.27Å; P493-G495 PolarHBondContact O-N 3.15Å; P493-V496 WeakPolarHBondContact O-CB 3.37Å; P493-V496 PolarHBondContact O-N 3.42Å; P493-V496 VanDerWaalsContact O-N 3.1Å; P493-L497 WeakPolarHBondContact O-CG 3.38Å; P493-L497 PolarHBondContact O-N 3.3Å |
| 494 | L | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.8 | -35.3 | 177.1 | -59.2 | -178.5 | 0 | 0 | 0 | 111.9 | V472 L490 M491 P492 V496 L497 L498 I504 L506 V519 | V472-L494 HydrophobicContact CB-CD2 4.29Å; V472-L494 HydrophobicContact CG2-CD2 3.72Å; L490-L494 HydrophobicContact CB-CD1 4.18Å; L490-L494 WeakPolarHBondContact O-CB 3.23Å; L490-L494 WeakPolarHBondContact O-CG 3.41Å; L490-L494 PolarHBondContact O-N 3.41Å; M491-L494 HydrophobicContact CE-CD1 4.09Å; P492-L494 PolarHBondContact O-N 3.27Å; L494-V496 VanDerWaalsContact C-N 3.33Å; L494-V496 PolarHBondContact O-N 3.47Å; L494-L497 HydrophobicContact CD2-CD1 4.17Å; L494-L497 PolarHBondContact O-N 3.17Å; L494-L498 PolarHBondContact O-N 3.17Å; L494-L498 VanDerWaalsContact O-N 3.13Å; L494-I504 HydrophobicContact CB-CG2 4.34Å; L494-I504 HydrophobicContact CD2-CG2 3.87Å; L494-L506 HydrophobicContact CD1-CB 4.33Å; L494-V519 HydrophobicContact CB-CG1 4.25Å; L494-V519 HydrophobicContact CB-CG2 3.94Å; L494-V519 HydrophobicContact CD1-CG1 4.22Å |
| 495 | G | 91.7 | Very high | 93.8 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 5% | 0.052 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.7 | -38.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M491 P492 P493 D499 K518 | M491-G495 PolarHBondContact O-N 3.47Å; P492-G495 PolarHBondContact O-N 3.45Å; P493-G495 VanDerWaalsContact C-N 3.27Å; P493-G495 PolarHBondContact O-N 3.15Å; G495-D499 PolarHBondContact O-N 3.43Å; G495-D499 VanDerWaalsContact O-N 3.16Å; G495-D499 VanDerWaalsContact O-OD2 3.13Å; G495-K518 WeakPolarHBondContact O-CE 3.47Å; G495-K518 PolarHBondContact O-NZ 3.27Å |
| 496 | V | 93.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.03 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.8 | -42.3 | 175.1 | 174 | 0 | 0 | 0 | 0 | 111.2 | Q195 E199 F461 P492 P493 L494 L498 D499 R500 | Q195-V496 HydrophobicContact CB-CG2 4.24Å; Q195-V496 HydrophobicContact CG-CG2 4.26Å; E199-V496 HydrophobicContact CG-CG1 4.4Å; E199-V496 HydrophobicContact CG-CG2 4.28Å; F461-V496 HydrophobicContact CE2-CB 4.16Å; F461-V496 HydrophobicContact CE2-CG1 4.09Å; F461-V496 HydrophobicContact CZ-CB 3.97Å; F461-V496 HydrophobicContact CZ-CG1 3.76Å; P492-V496 WeakPolarHBondContact O-CG2 3.47Å; P492-V496 PolarHBondContact O-N 3.05Å; P492-V496 VanDerWaalsContact O-N 3.08Å; P493-V496 WeakPolarHBondContact O-CB 3.37Å; P493-V496 PolarHBondContact O-N 3.42Å; P493-V496 VanDerWaalsContact O-N 3.1Å; L494-V496 VanDerWaalsContact C-N 3.33Å; L494-V496 PolarHBondContact O-N 3.47Å; V496-L498 VanDerWaalsContact C-N 3.3Å; V496-L498 PolarHBondContact O-N 3.23Å; V496-D499 WeakPolarHBondContact O-CB 3.48Å; V496-D499 PolarHBondContact O-N 2.82Å; V496-R500 WeakPolarHBondContact O-CG 3.34Å; V496-R500 PolarHBondContact O-N 3Å |
| 497 | L | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.6 | -39.3 | 177.2 | -66.1 | 172.9 | 0 | 0 | 0 | 112.3 | F461 L466 D467 P493 L494 R500 C501 F502 I504 | F461-L497 HydrophobicContact CD2-CD1 4.27Å; F461-L497 HydrophobicContact CD2-CD2 3.93Å; F461-L497 HydrophobicContact CD2-CG 3.96Å; F461-L497 HydrophobicContact CE2-CD2 3.81Å; F461-L497 HydrophobicContact CE2-CG 3.91Å; L466-L497 HydrophobicContact CB-CD1 3.58Å; L466-L497 HydrophobicContact CB-CD2 4.34Å; L466-L497 HydrophobicContact CD1-CD1 4.26Å; L466-L497 WeakPolarHBondContact O-CD2 3.22Å; D467-L497 WeakPolarHBondContact OD1-CD2 3.35Å; P493-L497 WeakPolarHBondContact O-CG 3.38Å; P493-L497 PolarHBondContact O-N 3.3Å; L494-L497 HydrophobicContact CD2-CD1 4.17Å; L494-L497 PolarHBondContact O-N 3.17Å; L497-R500 CarbonylContact O-C 3.58Å; L497-R500 WeakPolarHBondContact O-CB 3.35Å; L497-R500 PolarHBondContact O-N 2.86Å; L497-C501 PolarHBondContact O-N 2.85Å; L497-F502 HydrophobicContact CB-CD2 4.35Å; L497-F502 HydrophobicContact CD2-CD2 4.06Å; L497-F502 HydrophobicContact CD2-CE2 4.38Å; L497-F502 PolarHBondContact O-N 3.13Å; L497-I504 HydrophobicContact CB-CD1 4.1Å; L497-I504 HydrophobicContact CB-CG1 3.7Å; L497-I504 HydrophobicContact CD1-CD1 4.03Å; L497-I504 HydrophobicContact CD1-CG1 4.32Å |
| 498 | L | 92.7 | Very high | 94.3 | Very high | 17 Ų | 17 | 30.6 Ų | 30.6 | 9% | 0.089 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.3 | -38.7 | 172.2 | -70.9 | 175.5 | 0 | 0 | 0 | 112.6 | L494 V496 R500 C501 F502 I504 K518 V519 | L494-L498 PolarHBondContact O-N 3.17Å; L494-L498 VanDerWaalsContact O-N 3.13Å; V496-L498 VanDerWaalsContact C-N 3.3Å; V496-L498 PolarHBondContact O-N 3.23Å; L498-R500 PolarHBondContact O-N 2.75Å; L498-C501 WeakPolarHBondContact O-CA 3.31Å; L498-C501 PolarHBondContact O-N 3.09Å; L498-F502 WeakPolarHBondContact CD2-O 3.46Å; L498-I504 HydrophobicContact CD2-CB 3.94Å; L498-I504 HydrophobicContact CD2-CG1 4.32Å; L498-I504 HydrophobicContact CG-CB 4.3Å; L498-K518 HydrophobicContact CD1-CD 4.42Å; L498-K518 HydrophobicContact CD1-CG 3.9Å; L498-V519 HydrophobicContact CD1-CB 4.13Å; L498-V519 HydrophobicContact CD1-CG2 3.56Å |
| 499 | D | 91.4 | Very high | 94.7 | Very high | 92 Ų | 92 | 29 Ų | 29 | 49% | 0.492 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -66.6 | -23.1 | 175.3 | -71.2 | -33.3 | 0 | 0 | 0 | 112.4 | Q195 G495 V496 C501 K518 | Q195-D499 PolarHBondContact NE2-OD2 3.48Å; G495-D499 PolarHBondContact O-N 3.43Å; G495-D499 VanDerWaalsContact O-N 3.16Å; G495-D499 VanDerWaalsContact O-OD2 3.13Å; V496-D499 WeakPolarHBondContact O-CB 3.48Å; V496-D499 PolarHBondContact O-N 2.82Å; D499-C501 PolarHBondContact O-N 2.71Å; D499-K518 IonicContact OD1-NZ 3.74Å; D499-K518 PolarHBondContact OD1-NZ 2.89Å; D499-K518 IonicContact OD2-NZ 3.46Å; D499-K518 PolarHBondContact OD2-NZ 3.34Å |
| 500 | R | 94.6 | Very high | 95.1 | Very high | 106 Ų | 106 | 25 Ų | 25 | 40% | 0.4 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 9.8 | 169.7 | -64.2 | 175.8 | -174.9 | -177.8 | 0.6 | 113.3 | D467 V496 L497 L498 F502 | D467-R500 IonicContact OD1-NH1 3.46Å; D467-R500 PolarHBondContact OD1-NH1 3.41Å; D467-R500 IonicContact OD2-NH1 2.62Å; V496-R500 WeakPolarHBondContact O-CG 3.34Å; V496-R500 PolarHBondContact O-N 3Å; L497-R500 CarbonylContact O-C 3.58Å; L497-R500 WeakPolarHBondContact O-CB 3.35Å; L497-R500 PolarHBondContact O-N 2.86Å; L498-R500 PolarHBondContact O-N 2.75Å; R500-F502 VanDerWaalsContact C-N 3.3Å; R500-F502 HydrophobicContact CB-CD2 3.9Å; R500-F502 HydrophobicContact CB-CE2 3.91Å; R500-F502 PolarHBondContact O-N 3.39Å |
| 501 | C | 93.9 | Very high | 95.1 | Very high | 113 Ų | 113 | 25 Ų | 25 | 76% | 0.764 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 15.9 | 177.9 | -56 | 0 | 0 | 0 | 0 | 116 | L497 L498 D499 | L497-C501 PolarHBondContact O-N 2.85Å; L498-C501 WeakPolarHBondContact O-CA 3.31Å; L498-C501 PolarHBondContact O-N 3.09Å; D499-C501 PolarHBondContact O-N 2.71Å |
| 502 | F | 96.9 | Very high | 95.1 | Very high | 51 Ų | 51 | 23.6 Ų | 23.6 | 22% | 0.224 | 12% | 0.123 | C | C | . | . | trans | -73.5 | 151.5 | 170 | -63.8 | -61.8 | 0 | 0 | 0 | 111.6 | D467 D469 L497 L498 R500 I504 | D467-F502 VanDerWaalsContact C-CE1 3.45Å; D467-F502 HydrophobicContact CB-CE2 3.88Å; D467-F502 HydrophobicContact CB-CZ 3.86Å; D467-F502 WeakPolarHBondContact O-CE1 3.45Å; D467-F502 VanDerWaalsContact O-CZ 3.23Å; D467-F502 WeakPolarHBondContact O-CZ 3.41Å; D469-F502 WeakPolarHBondContact OD1-CA 3.39Å; L497-F502 HydrophobicContact CB-CD2 4.35Å; L497-F502 HydrophobicContact CD2-CD2 4.06Å; L497-F502 HydrophobicContact CD2-CE2 4.38Å; L497-F502 PolarHBondContact O-N 3.13Å; L498-F502 WeakPolarHBondContact CD2-O 3.46Å; R500-F502 VanDerWaalsContact C-N 3.3Å; R500-F502 HydrophobicContact CB-CD2 3.9Å; R500-F502 HydrophobicContact CB-CE2 3.91Å; R500-F502 PolarHBondContact O-N 3.39Å; F502-I504 HydrophobicContact CB-CD1 3.89Å; F502-I504 HydrophobicContact CB-CG1 3.95Å; F502-I504 PolarHBondContact O-N 3.42Å | ||
| 503 | K | 96.6 | Very high | 94.5 | Very high | 75 Ų | 75 | 22.7 Ų | 22.7 | 33% | 0.326 | 12% | 0.117 | S | C | . | . | trans | -89 | 100.9 | 171.3 | -64.6 | -64.3 | -178.1 | 178.9 | 0 | 109.6 | E440 N441 I444 D469 C470 | E440-K503 PolarHBondContact O-NZ 3.17Å; N441-K503 PolarHBondContact OD1-NZ 2.98Å; I444-K503 HydrophobicContact CD1-CB 3.86Å; I444-K503 HydrophobicContact CD1-CD 3.86Å; I444-K503 HydrophobicContact CD1-CG 4.41Å; D469-K503 WeakPolarHBondContact CA-O 3.3Å; D469-K503 HydrophobicContact CB-CB 4.09Å; D469-K503 PolarHBondContact OD1-N 3.48Å; C470-K503 PolarHBondContact N-O 2.93Å | ||
| 504 | I | 97.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.6 | -174.7 | -54.7 | -63.1 | 0 | 0 | 0 | 110.2 | R468 C470 L494 L497 L498 F502 P520 | R468-I504 WeakPolarHBondContact O-CD1 3.46Å; C470-I504 WeakPolarHBondContact O-CA 3.41Å; C470-I504 WeakPolarHBondContact SG-CD1 3.41Å; L494-I504 HydrophobicContact CB-CG2 4.34Å; L494-I504 HydrophobicContact CD2-CG2 3.87Å; L497-I504 HydrophobicContact CB-CD1 4.1Å; L497-I504 HydrophobicContact CB-CG1 3.7Å; L497-I504 HydrophobicContact CD1-CD1 4.03Å; L497-I504 HydrophobicContact CD1-CG1 4.32Å; L498-I504 HydrophobicContact CD2-CB 3.94Å; L498-I504 HydrophobicContact CD2-CG1 4.32Å; L498-I504 HydrophobicContact CG-CB 4.3Å; F502-I504 HydrophobicContact CB-CD1 3.89Å; F502-I504 HydrophobicContact CB-CG1 3.95Å; F502-I504 PolarHBondContact O-N 3.42Å; I504-P520 VanDerWaalsContact O-CD 3.28Å; I504-P520 WeakPolarHBondContact O-CD 3.04Å; I504-P520 WeakPolarHBondContact O-CG 3.4Å |
| 505 | A | 97.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 158.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I444 C470 V471 V472 P520 V546 | I444-A505 HydrophobicContact CB-CB 3.88Å; I444-A505 HydrophobicContact CG1-CB 4.05Å; I444-A505 HydrophobicContact CG2-CB 3.88Å; C470-A505 PolarHBondContact O-N 3.25Å; V471-A505 CarbonylContact C-O 3.58Å; V471-A505 WeakPolarHBondContact CA-O 3.38Å; V471-A505 HydrophobicContact CG1-CB 4.42Å; V471-A505 HydrophobicContact CG2-CB 4.31Å; V472-A505 PolarHBondContact N-O 3.22Å; A505-P520 CarbonylContact C-O 3.52Å; A505-P520 VanDerWaalsContact CA-O 3.29Å; A505-P520 WeakPolarHBondContact CA-O 3.13Å; A505-P520 HydrophobicContact CB-CG 4.02Å; A505-V546 HydrophobicContact CB-CB 4.31Å; A505-V546 HydrophobicContact CB-CG2 4.09Å |
| 506 | L | 97.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 135.8 | 170.6 | 175.7 | 68.4 | 0 | 0 | 0 | 110 | V472 V474 L490 M491 L494 T508 L512 P520 S521 A522 | V472-L506 HydrophobicContact CB-CD1 4.48Å; V472-L506 HydrophobicContact CG1-CD1 4.2Å; V472-L506 CarbonylContact O-C 3.55Å; V472-L506 WeakPolarHBondContact O-CA 3.42Å; V472-L506 WeakPolarHBondContact O-CD1 3.43Å; V474-L506 HydrophobicContact CG2-CD1 3.98Å; L490-L506 HydrophobicContact CD1-CD1 3.79Å; L490-L506 HydrophobicContact CD1-CD2 3.92Å; M491-L506 HydrophobicContact CE-CD2 3.96Å; L494-L506 HydrophobicContact CD1-CB 4.33Å; L506-T508 HydrophobicContact CD2-CG2 4.22Å; L506-T508 HydrophobicContact CG-CG2 4.31Å; L506-L512 HydrophobicContact CD2-CD1 3.77Å; L506-L512 HydrophobicContact CD2-CD2 3.88Å; L506-L512 HydrophobicContact CD2-CG 4.05Å; L506-P520 PolarHBondContact N-O 2.93Å; L506-S521 CarbonylContact O-C 3.59Å; L506-S521 WeakPolarHBondContact O-CA 3.45Å; L506-A522 PolarHBondContact O-N 2.9Å |
| 507 | V | 98.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.3 | 167.9 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | V471 V472 V473 V474 A522 V525 L535 I544 V546 L553 | V471-V507 HydrophobicContact CG1-CB 4.27Å; V471-V507 HydrophobicContact CG1-CG2 3.49Å; V471-V507 VanDerWaalsContact CG1-CG2 3.49Å; V472-V507 PolarHBondContact O-N 3.04Å; V473-V507 WeakPolarHBondContact CA-O 3.27Å; V473-V507 HydrophobicContact CG2-CB 4.36Å; V474-V507 PolarHBondContact N-O 3.41Å; V507-A522 WeakPolarHBondContact CA-O 3.3Å; V507-A522 HydrophobicContact CG2-CB 4.17Å; V507-V525 HydrophobicContact CG1-CG2 3.83Å; V507-L535 HydrophobicContact CG1-CD1 3.81Å; V507-I544 HydrophobicContact CG2-CG2 4.31Å; V507-V546 HydrophobicContact CG2-CG2 3.66Å; V507-L553 HydrophobicContact CG1-CD1 4.46Å; V507-L553 HydrophobicContact CG2-CD1 4.12Å |
| 508 | T | 98.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 144.7 | 179.7 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | V474 L487 L506 G510 A522 I523 H524 V525 | V474-T508 VanDerWaalsContact O-CA 3.28Å; V474-T508 WeakPolarHBondContact O-CA 3.29Å; V474-T508 WeakPolarHBondContact O-CB 3.25Å; V474-T508 PolarHBondContact O-OG1 3.35Å; L487-T508 HydrophobicContact CD1-CG2 4.15Å; L487-T508 WeakPolarHBondContact CD1-OG1 3.24Å; L506-T508 HydrophobicContact CD2-CG2 4.22Å; L506-T508 HydrophobicContact CG-CG2 4.31Å; T508-G510 PolarHBondContact OG1-N 2.93Å; T508-A522 PolarHBondContact N-O 2.63Å; T508-I523 HydrophobicContact CG2-CB 4.29Å; T508-I523 HydrophobicContact CG2-CG2 3.89Å; T508-I523 CarbonylContact O-C 3.57Å; T508-I523 WeakPolarHBondContact O-CA 3.47Å; T508-H524 PolarHBondContact O-N 3.48Å; T508-V525 VanDerWaalsContact O-CG2 3.28Å; T508-V525 WeakPolarHBondContact O-CG2 3.31Å; T508-V525 PolarHBondContact O-N 3.29Å; T508-V525 VanDerWaalsContact O-N 3.11Å |
| 509 | D | 98.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -76.8 | -9.6 | 166.5 | 51.8 | 1.4 | 0 | 0 | 0 | 112.6 | R475 H476 Q477 G478 V525 E528 A529 L535 | R475-D509 WeakPolarHBondContact CA-OD1 3.25Å; H476-D509 PolarHBondContact N-OD1 2.86Å; H476-D509 VanDerWaalsContact N-OD1 3.13Å; H476-D509 PolarHBondContact N-OD2 3.48Å; Q477-D509 WeakPolarHBondContact CA-OD1 3.36Å; Q477-D509 PolarHBondContact N-OD1 3.35Å; G478-D509 WeakPolarHBondContact CA-O 3.29Å; D509-V525 HydrophobicContact CB-CB 4.36Å; D509-V525 WeakPolarHBondContact CB-O 3.14Å; D509-E528 HydrophobicContact CB-CB 3.78Å; D509-A529 VanDerWaalsContact OD2-CB 3.3Å; D509-A529 WeakPolarHBondContact OD2-CB 3.24Å; D509-A529 PolarHBondContact OD2-N 3.45Å; D509-L535 HydrophobicContact CB-CD2 3.79Å |
| 510 | G | 97 | Very high | 89 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -83.9 | -158.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q477 T508 H524 | Q477-G510 WeakPolarHBondContact O-CA 3.39Å; Q477-G510 PolarHBondContact O-N 3.09Å; T508-G510 PolarHBondContact OG1-N 2.93Å; G510-H524 PolarHBondContact O-CD2 2.99Å; G510-H524 PolarHBondContact O-N 3.48Å |
| 511 | R | 95.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -135.7 | 169 | -176.9 | 60.4 | 165 | 171.7 | -160.1 | 0.9 | 112.4 | S125 K156 N302 M484 P485 E486 L487 H524 | S125-R511 PolarHBondContact OG-NH2 2.67Å; K156-R511 VanDerWaalsContact CE-CZ 3.43Å; N302-R511 WeakPolarHBondContact OD1-CD 3.48Å; M484-R511 HydrophobicContact CE-CB 4Å; M484-R511 HydrophobicContact CE-CG 3.83Å; M484-R511 HydrophobicContact CG-CG 4.33Å; M484-R511 PolarHBondContact O-NE 2.91Å; M484-R511 PolarHBondContact O-NH2 3.46Å; P485-R511 VanDerWaalsContact O-CG 3.3Å; P485-R511 WeakPolarHBondContact O-CG 3.34Å; E486-R511 WeakPolarHBondContact CA-O 3.4Å; E486-R511 HydrophobicContact CG-CG 3.88Å; L487-R511 PolarHBondContact N-O 2.93Å; R511-H524 WeakPolarHBondContact CB-NE2 3.25Å |
| 512 | L | 91.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | trans | -121.7 | 164.1 | 169.1 | -60.4 | 173.4 | 0 | 0 | 0 | 110.3 | L487 M491 L506 S516 I523 | L487-L512 HydrophobicContact CB-CD2 4.08Å; M491-L512 HydrophobicContact CE-CD1 3.61Å; M491-L512 HydrophobicContact CE-CD2 3.7Å; M491-L512 HydrophobicContact CE-CG 4.31Å; M491-L512 HydrophobicContact CG-CD2 4.49Å; M491-L512 HydrophobicContact SD-CD1 3.76Å; M491-L512 HydrophobicContact SD-CD2 4.31Å; L506-L512 HydrophobicContact CD2-CD1 3.77Å; L506-L512 HydrophobicContact CD2-CD2 3.88Å; L506-L512 HydrophobicContact CD2-CG 4.05Å; L512-S516 WeakPolarHBondContact CB-OG 3.46Å; L512-S516 WeakPolarHBondContact CD1-OG 3.26Å; L512-I523 HydrophobicContact CD1-CG2 4.04Å; L512-I523 HydrophobicContact CG-CG2 3.96Å | ||
| 513 | S | 76.4 | Confident | 89.3 | Confident | 8 Ų | 8 | 10.9 Ų | 10.9 | 6% | 0.056 | 6% | 0.063 | C | C | . | . | trans | -62.5 | 156.4 | 173.4 | 75.9 | 0 | 0 | 0 | 0 | 111.8 | E486 A515 S516 | E486-S513 VanDerWaalsContact CD-CA 3.48Å; E486-S513 VanDerWaalsContact OE2-CA 3.26Å; E486-S513 WeakPolarHBondContact OE2-CA 3.39Å; E486-S513 WeakPolarHBondContact OE2-CB 3.47Å; S513-A515 PolarHBondContact O-N 3.33Å; S513-A515 PolarHBondContact OG-N 2.71Å; S513-S516 WeakPolarHBondContact O-CB 3.47Å; S513-S516 PolarHBondContact O-N 3.42Å; S513-S516 PolarHBondContact O-OG 3.19Å | ||
| 514 | G | 66.4 | Low | 89.3 | Confident | 2 Ų | 2 | 7.3 Ų | 7.3 | 2% | 0.021 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -15.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S300 P338 K433 S516 | S300-G514 VanDerWaalsContact OG-CA 3.27Å; S300-G514 WeakPolarHBondContact OG-CA 3.49Å; P338-G514 WeakPolarHBondContact CG-O 3.3Å; K433-G514 PolarHBondContact NZ-O 2.91Å; G514-S516 VanDerWaalsContact C-N 3.28Å; G514-S516 PolarHBondContact O-N 2.99Å |
| 515 | A | 60.9 | Low | 89.4 | Confident | 18 Ų | 18 | 7.3 Ų | 7.3 | 15% | 0.149 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 5.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F223 P338 S513 G517 | F223-A515 HydrophobicContact CD2-CB 3.88Å; F223-A515 HydrophobicContact CE2-CB 3.7Å; P338-A515 WeakPolarHBondContact CB-O 3.41Å; S513-A515 PolarHBondContact O-N 3.33Å; S513-A515 PolarHBondContact OG-N 2.71Å; A515-G517 PolarHBondContact O-N 3.4Å |
| 516 | S | 66.4 | Low | 89.4 | Confident | 12 Ų | 12 | 8.2 Ų | 8.2 | 8% | 0.084 | 5% | 0.053 | C | C | . | . | trans | -62.1 | 120.8 | -179.4 | -54.2 | 0 | 0 | 0 | 0 | 110.9 | L512 S513 G514 | L512-S516 WeakPolarHBondContact CB-OG 3.46Å; L512-S516 WeakPolarHBondContact CD1-OG 3.26Å; S513-S516 WeakPolarHBondContact O-CB 3.47Å; S513-S516 PolarHBondContact O-N 3.42Å; S513-S516 PolarHBondContact O-OG 3.19Å; G514-S516 VanDerWaalsContact C-N 3.28Å; G514-S516 PolarHBondContact O-N 2.99Å | ||
| 517 | G | 73.6 | Confident | 89.4 | Confident | 25 Ų | 25 | 11.5 Ų | 11.5 | 26% | 0.258 | 7% | 0.074 | S | C | . | . | trans | -96.7 | -130.3 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A515 V519 | A515-G517 PolarHBondContact O-N 3.4Å; G517-V519 PolarHBondContact O-N 3.14Å | ||
| 518 | K | 86.7 | Confident | 89.4 | Confident | 64 Ų | 64 | 11.7 Ų | 11.7 | 28% | 0.278 | 8% | 0.075 | S | C | . | . | S | Bend | trans | -65.5 | -5 | -171.1 | 66.2 | -177.2 | -178.2 | -166.5 | 0 | 117.1 | A436 G495 L498 D499 | A436-K518 VanDerWaalsContact O-CA 3.29Å; A436-K518 WeakPolarHBondContact O-CA 3.33Å; G495-K518 WeakPolarHBondContact O-CE 3.47Å; G495-K518 PolarHBondContact O-NZ 3.27Å; L498-K518 HydrophobicContact CD1-CD 4.42Å; L498-K518 HydrophobicContact CD1-CG 3.9Å; D499-K518 IonicContact OD1-NZ 3.74Å; D499-K518 PolarHBondContact OD1-NZ 2.89Å; D499-K518 IonicContact OD2-NZ 3.46Å; D499-K518 PolarHBondContact OD2-NZ 3.34Å |
| 519 | V | 91.8 | Very high | 89.4 | Confident | 8 Ų | 8 | 11.9 Ų | 11.9 | 5% | 0.048 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -85.1 | 117.6 | -177.8 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | L494 L498 G517 S521 | L494-V519 HydrophobicContact CB-CG1 4.25Å; L494-V519 HydrophobicContact CB-CG2 3.94Å; L494-V519 HydrophobicContact CD1-CG1 4.22Å; L498-V519 HydrophobicContact CD1-CB 4.13Å; L498-V519 HydrophobicContact CD1-CG2 3.56Å; G517-V519 PolarHBondContact O-N 3.14Å; V519-S521 PolarHBondContact O-N 3.11Å; V519-S521 VanDerWaalsContact O-N 3.14Å; V519-S521 PolarHBondContact O-OG 2.71Å |
| 520 | P | 94.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -62.5 | 118.6 | 174.6 | 27.1 | -33.6 | 0 | 0 | 0 | 109.6 | M432 V437 N441 I444 I504 A505 L506 | M432-P520 HydrophobicContact CE-CB 3.45Å; M432-P520 VanDerWaalsContact CE-CB 3.45Å; M432-P520 HydrophobicContact SD-CB 4.45Å; V437-P520 HydrophobicContact CG1-CB 4.05Å; N441-P520 WeakPolarHBondContact O-CB 3.15Å; N441-P520 VanDerWaalsContact O-CG 3.25Å; N441-P520 WeakPolarHBondContact O-CG 3.15Å; I444-P520 HydrophobicContact CD1-CG 4.49Å; I444-P520 HydrophobicContact CG1-CG 3.76Å; I504-P520 VanDerWaalsContact O-CD 3.28Å; I504-P520 WeakPolarHBondContact O-CD 3.04Å; I504-P520 WeakPolarHBondContact O-CG 3.4Å; A505-P520 CarbonylContact C-O 3.52Å; A505-P520 VanDerWaalsContact CA-O 3.29Å; A505-P520 WeakPolarHBondContact CA-O 3.13Å; A505-P520 HydrophobicContact CB-CG 4.02Å; L506-P520 PolarHBondContact N-O 2.93Å | ||
| 521 | S | 96 | Very high | 89.2 | Confident | 9 Ų | 9 | 20.6 Ų | 20.6 | 6% | 0.063 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 113.3 | -170.9 | -55.5 | 0 | 0 | 0 | 0 | 110.4 | M432 L506 V519 | M432-S521 WeakPolarHBondContact CA-O 3.39Å; M432-S521 WeakPolarHBondContact CB-O 3.45Å; M432-S521 WeakPolarHBondContact CG-O 3.48Å; L506-S521 CarbonylContact O-C 3.59Å; L506-S521 WeakPolarHBondContact O-CA 3.45Å; V519-S521 PolarHBondContact O-N 3.11Å; V519-S521 VanDerWaalsContact O-N 3.14Å; V519-S521 PolarHBondContact O-OG 2.71Å |
| 522 | A | 97.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 101.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | L423 A430 L506 V507 T508 V546 L553 | L423-A522 HydrophobicContact CD1-CB 3.49Å; L423-A522 VanDerWaalsContact CD1-CB 3.49Å; A430-A522 HydrophobicContact CB-CB 4.3Å; L506-A522 PolarHBondContact O-N 2.9Å; V507-A522 WeakPolarHBondContact CA-O 3.3Å; V507-A522 HydrophobicContact CG2-CB 4.17Å; T508-A522 PolarHBondContact N-O 2.63Å; A522-V546 HydrophobicContact CB-CG1 4.25Å; A522-L553 HydrophobicContact CB-CD1 3.93Å; A522-L553 HydrophobicContact CB-CD2 4.19Å |
| 523 | I | 97.1 | Very high | 89.5 | Confident | 5 Ų | 5 | 23.3 Ų | 23.3 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 167.9 | -177.4 | 64.3 | 171.9 | 0 | 0 | 0 | 110.4 | T301 A430 V431 T508 L512 V525 | T301-I523 HydrophobicContact CG2-CD1 4.26Å; T301-I523 VanDerWaalsContact OG1-CD1 3.24Å; T301-I523 WeakPolarHBondContact OG1-CD1 3.49Å; A430-I523 WeakPolarHBondContact CB-O 3.33Å; V431-I523 HydrophobicContact CG2-CD1 4.31Å; V431-I523 HydrophobicContact CG2-CG1 3.79Å; V431-I523 PolarHBondContact N-O 3Å; V431-I523 WeakPolarHBondContact O-CG1 3.46Å; V431-I523 PolarHBondContact O-N 2.84Å; T508-I523 HydrophobicContact CG2-CB 4.29Å; T508-I523 HydrophobicContact CG2-CG2 3.89Å; T508-I523 CarbonylContact O-C 3.57Å; T508-I523 WeakPolarHBondContact O-CA 3.47Å; L512-I523 HydrophobicContact CD1-CG2 4.04Å; L512-I523 HydrophobicContact CG-CG2 3.96Å; I523-V525 PolarHBondContact O-N 2.95Å |
| 524 | H | 97.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 61.9 | 25.2 | -179.2 | -51.5 | 169.8 | 0 | 0 | 0 | 113 | M305 W320 V431 T508 G510 R511 T526 A594 | M305-H524 WeakPolarHBondContact CE-CE1 3.4Å; M305-H524 WeakPolarHBondContact CE-NE2 3.39Å; W320-H524 HydrophobicContact CH2-CB 3.83Å; W320-H524 WeakPolarHBondContact CH2-O 3.41Å; W320-H524 HydrophobicContact CZ2-CB 3.96Å; V431-H524 HydrophobicContact CG2-CB 4.26Å; V431-H524 WeakPolarHBondContact CG2-ND1 3.43Å; T508-H524 PolarHBondContact O-N 3.48Å; G510-H524 PolarHBondContact O-CD2 2.99Å; G510-H524 PolarHBondContact O-N 3.48Å; R511-H524 WeakPolarHBondContact CB-NE2 3.25Å; H524-T526 PolarHBondContact O-N 3.44Å; H524-T526 PolarHBondContact O-OG1 2.73Å; H524-A594 HydrophobicContact CB-CB 3.66Å |
| 525 | V | 98.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.2 | 118.7 | -179.4 | 176.5 | 0 | 0 | 0 | 0 | 109.7 | R429 A430 V507 T508 D509 I523 L535 L553 | R429-V525 CarbonylContact O-C 3.55Å; R429-V525 WeakPolarHBondContact O-CA 3.29Å; A430-V525 HydrophobicContact CB-CG2 3.89Å; V507-V525 HydrophobicContact CG1-CG2 3.83Å; T508-V525 VanDerWaalsContact O-CG2 3.28Å; T508-V525 WeakPolarHBondContact O-CG2 3.31Å; T508-V525 PolarHBondContact O-N 3.29Å; T508-V525 VanDerWaalsContact O-N 3.11Å; D509-V525 HydrophobicContact CB-CB 4.36Å; D509-V525 WeakPolarHBondContact CB-O 3.14Å; I523-V525 PolarHBondContact O-N 2.95Å; V525-L535 HydrophobicContact CB-CD2 4.32Å; V525-L535 HydrophobicContact CG1-CB 4.46Å; V525-L535 HydrophobicContact CG1-CD2 4.27Å; V525-L553 HydrophobicContact CG2-CD2 4.06Å |
| 526 | T | 98.3 | Very high | 93.9 | Very high | 19 Ų | 19 | 23.9 Ų | 23.9 | 12% | 0.117 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 130.9 | -174.7 | -61.4 | 0 | 0 | 0 | 0 | 109.1 | R429 H524 A594 | R429-T526 PolarHBondContact N-O 2.87Å; R429-T526 PolarHBondContact O-N 2.86Å; H524-T526 PolarHBondContact O-N 3.44Å; H524-T526 PolarHBondContact O-OG1 2.73Å; T526-A594 PolarHBondContact OG1-N 2.84Å |
| 527 | P | 98.1 | Very high | 95.4 | Very high | 69 Ų | 69 | 25.6 Ų | 25.6 | 45% | 0.448 | 15% | 0.149 | S | C | . | . | S | Bend | cis | -63.4 | 144.1 | 0.3 | -19.5 | 32.8 | 0 | 0 | 0 | 113.3 | ||
| 528 | E | 98.2 | Very high | 96.6 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 2% | 0.023 | 14% | 0.137 | C | C | . | . | trans | -65.6 | 159.1 | 175.7 | 66.1 | 177.4 | 101 | 0 | 0 | 110.8 | G478 P479 K480 A481 D509 Y530 D531 G533 | G478-E528 WeakPolarHBondContact CA-OE2 3.37Å; P479-E528 VanDerWaalsContact CD-OE1 3.23Å; P479-E528 WeakPolarHBondContact CD-OE1 3.49Å; K480-E528 WeakPolarHBondContact CB-OE1 3.22Å; K480-E528 PolarHBondContact N-OE1 3.04Å; K480-E528 PolarHBondContact N-OE2 3.26Å; A481-E528 VanDerWaalsContact CB-OE2 3.31Å; A481-E528 WeakPolarHBondContact CB-OE2 3.33Å; A481-E528 PolarHBondContact N-OE2 2.87Å; D509-E528 HydrophobicContact CB-CB 3.78Å; E528-Y530 PolarHBondContact O-N 2.9Å; E528-Y530 WeakPolarHBondContact OE2-CB 3.47Å; E528-D531 HydrophobicContact CG-CB 4.01Å; E528-D531 PolarHBondContact O-N 3.39Å; E528-D531 VanDerWaalsContact O-N 3.17Å; E528-G533 PolarHBondContact O-N 3.15Å | ||
| 529 | A | 98.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.033 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -59.5 | -36.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R475 H476 D509 D531 G532 L535 A536 | R475-A529 HydrophobicContact CB-CB 3.97Å; H476-A529 WeakPolarHBondContact NE2-CB 3.5Å; D509-A529 VanDerWaalsContact OD2-CB 3.3Å; D509-A529 WeakPolarHBondContact OD2-CB 3.24Å; D509-A529 PolarHBondContact OD2-N 3.45Å; A529-D531 VanDerWaalsContact C-N 3.32Å; A529-D531 PolarHBondContact O-N 3.35Å; A529-G532 PolarHBondContact O-N 3.47Å; A529-L535 HydrophobicContact CB-CB 4.25Å; A529-L535 HydrophobicContact CB-CD2 4.48Å; A529-A536 HydrophobicContact CB-CB 3.93Å |
| 530 | Y | 96.7 | Very high | 97.5 | Very high | 107 Ų | 107 | 32.2 Ų | 32.2 | 42% | 0.42 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -63.8 | -32.8 | 179.2 | -176.5 | -99 | 0 | 0 | 0 | 113.8 | K480 A481 E528 G532 L572 | K480-Y530 HydrophobicContact CB-CD1 3.65Å; K480-Y530 HydrophobicContact CB-CE1 3.94Å; A481-Y530 HydrophobicContact CB-CG 4.27Å; E528-Y530 PolarHBondContact O-N 2.9Å; E528-Y530 WeakPolarHBondContact OE2-CB 3.47Å; Y530-G532 PolarHBondContact O-N 2.93Å; Y530-L572 HydrophobicContact CD2-CD1 3.55Å; Y530-L572 HydrophobicContact CE2-CD1 3.73Å |
| 531 | D | 95.4 | Very high | 97.6 | Very high | 77 Ų | 77 | 34.6 Ų | 34.6 | 41% | 0.412 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -84.6 | 11 | 175.3 | -87.9 | -17.6 | 0 | 0 | 0 | 112.3 | K480 E528 A529 | K480-D531 VanDerWaalsContact CD-OD1 3.31Å; K480-D531 WeakPolarHBondContact CD-OD1 2.97Å; K480-D531 WeakPolarHBondContact CE-OD2 3.24Å; K480-D531 IonicContact NZ-OD1 3.7Å; K480-D531 PolarHBondContact NZ-OD1 2.93Å; K480-D531 IonicContact NZ-OD2 2.75Å; K480-D531 PolarHBondContact NZ-OD2 3.48Å; E528-D531 HydrophobicContact CG-CB 4.01Å; E528-D531 PolarHBondContact O-N 3.39Å; E528-D531 VanDerWaalsContact O-N 3.17Å; A529-D531 VanDerWaalsContact C-N 3.32Å; A529-D531 PolarHBondContact O-N 3.35Å |
| 532 | G | 95 | Very high | 97.8 | Very high | 53 Ų | 53 | 35 Ų | 35 | 55% | 0.546 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 17.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A529 Y530 | A529-G532 PolarHBondContact O-N 3.47Å; Y530-G532 PolarHBondContact O-N 2.93Å |
| 533 | G | 97.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | trans | -58.2 | 153.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E528 L535 A536 | E528-G533 PolarHBondContact O-N 3.15Å; G533-L535 PolarHBondContact O-N 3.46Å; G533-A536 WeakPolarHBondContact O-CB 3.48Å; G533-A536 PolarHBondContact O-N 2.88Å | ||
| 534 | L | 98.3 | Very high | 97.9 | Very high | 39 Ų | 39 | 37.4 Ų | 37.4 | 20% | 0.204 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -58.6 | -22.9 | -175.6 | -169.5 | 66.9 | 0 | 0 | 0 | 112.9 | N426 L427 A536 K537 L555 L562 | N426-L534 HydrophobicContact CB-CD2 4.01Å; N426-L534 WeakPolarHBondContact O-CD2 3.34Å; L427-L534 HydrophobicContact CD2-CB 4.31Å; L427-L534 HydrophobicContact CD2-CD2 4.29Å; L427-L534 HydrophobicContact CD2-CG 4.28Å; L534-A536 PolarHBondContact O-N 3.36Å; L534-A536 VanDerWaalsContact O-N 3.13Å; L534-K537 HydrophobicContact CD1-CB 4.28Å; L534-K537 HydrophobicContact CD1-CD 4.06Å; L534-K537 HydrophobicContact CD1-CG 4.45Å; L534-K537 PolarHBondContact O-N 3.29Å; L534-L555 HydrophobicContact CD2-CD2 4.18Å; L534-L555 HydrophobicContact CG-CD2 4.27Å; L534-L562 HydrophobicContact CD1-CD1 4.34Å; L534-L562 HydrophobicContact CD1-CD2 4.3Å; L534-L562 HydrophobicContact CD2-CD1 4.12Å |
| 535 | L | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -52.9 | -30.7 | 172.5 | -164.6 | 68 | 0 | 0 | 0 | 113 | L427 V473 R475 V507 D509 V525 A529 G533 K537 V538 | L427-L535 HydrophobicContact CD2-CD1 4.44Å; V473-L535 HydrophobicContact CG1-CD1 3.7Å; V473-L535 HydrophobicContact CG1-CG 4.38Å; R475-L535 HydrophobicContact CB-CD2 3.89Å; R475-L535 HydrophobicContact CB-CG 3.95Å; V507-L535 HydrophobicContact CG1-CD1 3.81Å; D509-L535 HydrophobicContact CB-CD2 3.79Å; V525-L535 HydrophobicContact CB-CD2 4.32Å; V525-L535 HydrophobicContact CG1-CB 4.46Å; V525-L535 HydrophobicContact CG1-CD2 4.27Å; A529-L535 HydrophobicContact CB-CB 4.25Å; A529-L535 HydrophobicContact CB-CD2 4.48Å; G533-L535 PolarHBondContact O-N 3.46Å; L535-K537 PolarHBondContact O-N 2.71Å; L535-V538 HydrophobicContact CD1-CG2 4.34Å; L535-V538 PolarHBondContact O-N 3.29Å |
| 536 | A | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -68 | -18.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R475 A529 G533 L534 P567 H568 | R475-A536 PolarHBondContact NH1-O 2.83Å; A529-A536 HydrophobicContact CB-CB 3.93Å; G533-A536 WeakPolarHBondContact O-CB 3.48Å; G533-A536 PolarHBondContact O-N 2.88Å; L534-A536 PolarHBondContact O-N 3.36Å; L534-A536 VanDerWaalsContact O-N 3.13Å; A536-P567 HydrophobicContact CB-CB 3.71Å; A536-H568 PolarHBondContact O-N 3.07Å |
| 537 | K | 98.5 | Very high | 97.9 | Very high | 47 Ų | 47 | 40.5 Ų | 40.5 | 20% | 0.204 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -98.6 | -5.1 | -178.9 | -61.7 | -165.8 | -179.1 | -157.7 | 0 | 114.1 | L534 L535 L562 R565 P567 | L534-K537 HydrophobicContact CD1-CB 4.28Å; L534-K537 HydrophobicContact CD1-CD 4.06Å; L534-K537 HydrophobicContact CD1-CG 4.45Å; L534-K537 PolarHBondContact O-N 3.29Å; L535-K537 PolarHBondContact O-N 2.71Å; K537-L562 WeakPolarHBondContact CD-O 3.34Å; K537-L562 PolarHBondContact NZ-O 3.23Å; K537-R565 HydrophobicContact CB-CB 4.38Å; K537-R565 HydrophobicContact CD-CB 4.11Å; K537-R565 WeakPolarHBondContact CD-O 3.41Å; K537-R565 WeakPolarHBondContact CE-O 3.42Å; K537-R565 PolarHBondContact NZ-O 2.99Å; K537-R565 PolarHBondContact O-NH1 3.29Å; K537-P567 HydrophobicContact CG-CB 4.23Å |
| 538 | V | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | trans | -64.2 | 138.5 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | L427 A448 V450 V473 R475 L535 I544 L555 | L427-V538 HydrophobicContact CD2-CG2 3.91Å; A448-V538 HydrophobicContact CB-CG1 3.84Å; V450-V538 HydrophobicContact CG2-CB 4.49Å; V450-V538 HydrophobicContact CG2-CG1 3.8Å; V473-V538 HydrophobicContact CG2-CG1 4.27Å; R475-V538 PolarHBondContact NH1-O 3.39Å; L535-V538 HydrophobicContact CD1-CG2 4.34Å; L535-V538 PolarHBondContact O-N 3.29Å; V538-I544 HydrophobicContact CG1-CD1 3.96Å; V538-L555 HydrophobicContact CG1-CD1 4.47Å; V538-L555 HydrophobicContact CG2-CD1 4.23Å; V538-L555 HydrophobicContact CG2-CD2 3.99Å | ||
| 539 | R | 98.3 | Very high | 97.5 | Very high | 129 Ų | 129 | 42 Ų | 42 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | trans | -125.7 | 156.9 | 177.3 | -65 | 177.6 | 177.8 | 173.7 | -4 | 109.9 | G541 D542 | R539-G541 PolarHBondContact O-N 3.45Å; R539-D542 PolarHBondContact N-OD2 3.3Å; R539-D542 WeakPolarHBondContact O-CB 3.45Å; R539-D542 VanDerWaalsContact O-CG 3.28Å; R539-D542 PolarHBondContact O-N 3.16Å | ||
| 540 | D | 98.3 | Very high | 97.3 | Very high | 106 Ų | 106 | 46.2 Ų | 46.2 | 57% | 0.567 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | 135.9 | 172.8 | -68 | -59.5 | 0 | 0 | 0 | 111.2 | A448 V449 V450 D542 | A448-D540 WeakPolarHBondContact O-CA 3.41Å; V449-D540 WeakPolarHBondContact CA-OD1 3.48Å; V450-D540 PolarHBondContact N-OD1 3.49Å; D540-D542 VanDerWaalsContact C-N 3.34Å |
| 541 | G | 98.3 | Very high | 97.2 | Very high | 50 Ų | 50 | 41.6 Ų | 41.6 | 52% | 0.515 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -15.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A448 R539 I543 | A448-G541 PolarHBondContact O-N 3.44Å; R539-G541 PolarHBondContact O-N 3.45Å; G541-I543 PolarHBondContact O-N 3.42Å |
| 542 | D | 98.7 | Very high | 97.4 | Very high | 17 Ų | 17 | 40.5 Ų | 40.5 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | trans | -59.8 | 138 | 174.7 | -69.5 | -22.6 | 0 | 0 | 0 | 110.9 | P447 A448 R539 D540 I544 L555 V557 R565 | P447-D542 CarbonylContact C-O 3.58Å; P447-D542 WeakPolarHBondContact CA-O 3.17Å; A448-D542 HydrophobicContact CB-CB 4.36Å; A448-D542 WeakPolarHBondContact CB-O 3.19Å; A448-D542 PolarHBondContact N-O 3.37Å; R539-D542 PolarHBondContact N-OD2 3.3Å; R539-D542 WeakPolarHBondContact O-CB 3.45Å; R539-D542 VanDerWaalsContact O-CG 3.28Å; R539-D542 PolarHBondContact O-N 3.16Å; D540-D542 VanDerWaalsContact C-N 3.34Å; D542-I544 PolarHBondContact O-N 2.91Å; D542-L555 HydrophobicContact CB-CD1 3.63Å; D542-V557 HydrophobicContact CB-CG2 4.11Å; D542-R565 IonicContact OD1-CZ 3.47Å; D542-R565 IonicContact OD1-NH1 3.4Å; D542-R565 PolarHBondContact OD1-NH1 3.26Å; D542-R565 IonicContact OD1-NH2 2.73Å; D542-R565 PolarHBondContact OD1-NH2 3.28Å; D542-R565 IonicContact OD2-CZ 3.6Å; D542-R565 IonicContact OD2-NH1 3.15Å; D542-R565 PolarHBondContact OD2-NH1 3.48Å; D542-R565 IonicContact OD2-NH2 3.85Å | ||
| 543 | I | 98.8 | Very high | 97.5 | Very high | 57 Ų | 57 | 38 Ų | 38 | 29% | 0.292 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 126.2 | 176.2 | -56.4 | -54.8 | 0 | 0 | 0 | 109.5 | E445 P447 G541 L556 | E445-I543 HydrophobicContact CG-CG2 3.51Å; P447-I543 HydrophobicContact CB-CD1 4.23Å; P447-I543 HydrophobicContact CG-CD1 3.85Å; G541-I543 PolarHBondContact O-N 3.42Å; I543-L556 HydrophobicContact CB-CB 4.06Å; I543-L556 HydrophobicContact CG2-CB 4.23Å; I543-L556 HydrophobicContact CG2-CD1 4.36Å; I543-L556 HydrophobicContact CG2-CD2 3.99Å; I543-L556 HydrophobicContact CG2-CG 4.44Å; I543-L556 PolarHBondContact O-N 2.84Å |
| 544 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 132.7 | 173.2 | -62.2 | 174.9 | 0 | 0 | 0 | 108.9 | L427 E445 A446 A448 V471 V473 V507 V538 D542 V546 T554 L555 | L427-I544 HydrophobicContact CD1-CG2 4.06Å; E445-I544 VanDerWaalsContact CA-O 3.32Å; E445-I544 WeakPolarHBondContact CA-O 3.32Å; A446-I544 PolarHBondContact N-O 3.4Å; A446-I544 VanDerWaalsContact N-O 3.15Å; A446-I544 PolarHBondContact O-N 3.35Å; A448-I544 HydrophobicContact CB-CD1 3.81Å; A448-I544 HydrophobicContact CB-CG1 4.34Å; V471-I544 HydrophobicContact CB-CB 4.16Å; V471-I544 HydrophobicContact CB-CD1 4.5Å; V471-I544 HydrophobicContact CG1-CB 4.15Å; V471-I544 HydrophobicContact CG1-CD1 4.14Å; V471-I544 HydrophobicContact CG1-CG2 4.1Å; V471-I544 HydrophobicContact CG2-CB 4.01Å; V471-I544 HydrophobicContact CG2-CG2 4.4Å; V473-I544 HydrophobicContact CG2-CD1 3.55Å; V507-I544 HydrophobicContact CG2-CG2 4.31Å; V538-I544 HydrophobicContact CG1-CD1 3.96Å; D542-I544 PolarHBondContact O-N 2.91Å; I544-V546 HydrophobicContact CG2-CG2 4.07Å; I544-T554 CarbonylContact C-O 3.57Å; I544-T554 WeakPolarHBondContact CA-O 3.4Å; I544-L555 HydrophobicContact CD1-CD1 4.34Å; I544-L555 HydrophobicContact CG1-CD1 3.72Å |
| 545 | R | 98.7 | Very high | 97.6 | Very high | 66 Ų | 66 | 37.3 Ų | 37.3 | 25% | 0.249 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 120.1 | 169.7 | -175.9 | -174.8 | -62.1 | 136.9 | 0.4 | 110.2 | I444 E445 N547 E552 L553 T554 L556 | I444-R545 CarbonylContact O-C 3.59Å; I444-R545 WeakPolarHBondContact O-CA 3.48Å; E445-R545 HydrophobicContact CB-CB 4.48Å; E445-R545 HydrophobicContact CG-CB 4.33Å; E445-R545 IonicContact OE2-CZ 3.83Å; E445-R545 IonicContact OE2-NE 2.81Å; E445-R545 PolarHBondContact OE2-NE 3.41Å; E445-R545 IonicContact OE2-NH2 3.37Å; E445-R545 PolarHBondContact OE2-NH2 3.5Å; R545-N547 HydrophobicContact CG-CB 4.46Å; R545-E552 VanDerWaalsContact CD-OE2 3.31Å; R545-E552 WeakPolarHBondContact CD-OE2 3.3Å; R545-E552 IonicContact CZ-OE1 3.89Å; R545-E552 IonicContact NH1-OE1 2.71Å; R545-E552 PolarHBondContact NH1-OE1 3.05Å; R545-E552 IonicContact NH1-OE2 2.73Å; R545-L553 WeakPolarHBondContact O-CA 3.31Å; R545-T554 PolarHBondContact N-O 2.83Å; R545-T554 PolarHBondContact O-N 2.68Å; R545-L556 HydrophobicContact CB-CD1 3.68Å |
| 546 | V | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 107.7 | 169.6 | -175 | 0 | 0 | 0 | 0 | 107.5 | L423 M432 V443 I444 V471 A505 V507 A522 I544 L553 | L423-V546 HydrophobicContact CD1-CG1 4.09Å; M432-V546 HydrophobicContact SD-CG1 4.28Å; V443-V546 WeakPolarHBondContact CA-O 3.41Å; I444-V546 PolarHBondContact N-O 2.82Å; I444-V546 PolarHBondContact O-N 3.06Å; V471-V546 HydrophobicContact CG1-CG2 4.41Å; A505-V546 HydrophobicContact CB-CB 4.31Å; A505-V546 HydrophobicContact CB-CG2 4.09Å; V507-V546 HydrophobicContact CG2-CG2 3.66Å; A522-V546 HydrophobicContact CB-CG1 4.25Å; I544-V546 HydrophobicContact CG2-CG2 4.07Å; V546-L553 HydrophobicContact CG2-CD1 3.92Å |
| 547 | N | 97.6 | Very high | 97.6 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 10% | 0.096 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 93.2 | -177.5 | -168.1 | -27.7 | 0 | 0 | 0 | 110.8 | V443 R545 Q549 T550 G551 E552 | V443-N547 HydrophobicContact CG1-CB 4.37Å; V443-N547 WeakPolarHBondContact CG2-OD1 3.2Å; R545-N547 HydrophobicContact CG-CB 4.46Å; N547-Q549 PolarHBondContact O-N 3Å; N547-Q549 WeakPolarHBondContact OD1-CA 3.46Å; N547-Q549 WeakPolarHBondContact OD1-CB 3.48Å; N547-Q549 PolarHBondContact OD1-N 2.99Å; N547-T550 WeakPolarHBondContact CB-OG1 3.17Å; N547-T550 PolarHBondContact ND2-OG1 2.8Å; N547-T550 VanDerWaalsContact ND2-OG1 3.13Å; N547-T550 PolarHBondContact OD1-N 3.33Å; N547-T550 PolarHBondContact OD1-OG1 3.28Å; N547-G551 CarbonylContact O-C 3.58Å; N547-G551 VanDerWaalsContact O-CA 3.32Å; N547-G551 WeakPolarHBondContact O-CA 3.43Å; N547-G551 PolarHBondContact O-N 3.12Å; N547-E552 HydrophobicContact CB-CB 3.92Å; N547-E552 PolarHBondContact N-O 3.11Å; N547-E552 PolarHBondContact O-N 2.8Å; N547-E552 VanDerWaalsContact O-N 3.12Å |
| 548 | G | 94.1 | Very high | 97.6 | Very high | 4 Ų | 4 | 45 Ų | 45 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -12.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q442 | Q442-G548 PolarHBondContact O-N 3.19Š|
| 549 | Q | 92.6 | Very high | 97.5 | Very high | 101 Ų | 101 | 53 Ų | 53 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -49.6 | 176.5 | -59.9 | -177.2 | -1.8 | 0 | 0 | 111.1 | V439 Q442 V443 N547 | V439-Q549 PolarHBondContact O-NE2 3.44Å; Q442-Q549 HydrophobicContact CB-CG 4.02Å; V443-Q549 HydrophobicContact CG2-CB 4.37Å; V443-Q549 HydrophobicContact CG2-CG 3.87Å; N547-Q549 PolarHBondContact O-N 3Å; N547-Q549 WeakPolarHBondContact OD1-CA 3.46Å; N547-Q549 WeakPolarHBondContact OD1-CB 3.48Å; N547-Q549 PolarHBondContact OD1-N 2.99Å |
| 550 | T | 94 | Very high | 97.5 | Very high | 92 Ų | 92 | 50.7 Ų | 50.7 | 56% | 0.564 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -21.2 | -180 | 62.7 | 0 | 0 | 0 | 0 | 113.3 | N547 E552 | N547-T550 WeakPolarHBondContact CB-OG1 3.17Å; N547-T550 PolarHBondContact ND2-OG1 2.8Å; N547-T550 VanDerWaalsContact ND2-OG1 3.13Å; N547-T550 PolarHBondContact OD1-N 3.33Å; N547-T550 PolarHBondContact OD1-OG1 3.28Å; T550-E552 WeakPolarHBondContact OG1-CB 3.26Å; T550-E552 PolarHBondContact OG1-N 3.48Å |
| 551 | G | 95.4 | Very high | 97.5 | Very high | 11 Ų | 11 | 49.9 Ų | 49.9 | 11% | 0.113 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 24.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V422 L423 S424 N547 | V422-G551 WeakPolarHBondContact O-CA 3.4Å; L423-G551 CarbonylContact C-O 3.49Å; L423-G551 VanDerWaalsContact CA-O 3.25Å; L423-G551 WeakPolarHBondContact CA-O 3.39Å; S424-G551 PolarHBondContact N-O 3.3Å; N547-G551 CarbonylContact O-C 3.58Å; N547-G551 VanDerWaalsContact O-CA 3.32Å; N547-G551 WeakPolarHBondContact O-CA 3.43Å; N547-G551 PolarHBondContact O-N 3.12Å |
| 552 | E | 98.1 | Very high | 97.4 | Very high | 53 Ų | 53 | 48.1 Ų | 48.1 | 25% | 0.248 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 135.8 | 179.8 | -170.3 | -170.9 | 165.9 | 0 | 0 | 111.6 | S424 R545 N547 T550 T554 | S424-E552 WeakPolarHBondContact O-CA 3.43Å; R545-E552 VanDerWaalsContact CD-OE2 3.31Å; R545-E552 WeakPolarHBondContact CD-OE2 3.3Å; R545-E552 IonicContact CZ-OE1 3.89Å; R545-E552 IonicContact NH1-OE1 2.71Å; R545-E552 PolarHBondContact NH1-OE1 3.05Å; R545-E552 IonicContact NH1-OE2 2.73Å; N547-E552 HydrophobicContact CB-CB 3.92Å; N547-E552 PolarHBondContact N-O 3.11Å; N547-E552 PolarHBondContact O-N 2.8Å; N547-E552 VanDerWaalsContact O-N 3.12Å; T550-E552 WeakPolarHBondContact OG1-CB 3.26Å; T550-E552 PolarHBondContact OG1-N 3.48Å; E552-T554 WeakPolarHBondContact CG-OG1 3.41Å; E552-T554 WeakPolarHBondContact OE1-CB 3.28Å; E552-T554 PolarHBondContact OE1-OG1 2.97Å |
| 553 | L | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 98.3 | 168.9 | -179.5 | 66.4 | 0 | 0 | 0 | 110.1 | L423 S424 G425 L427 A430 V507 A522 V525 R545 V546 | L423-L553 HydrophobicContact CB-CB 3.87Å; L423-L553 HydrophobicContact CD1-CB 4.47Å; S424-L553 PolarHBondContact O-N 2.93Å; G425-L553 CarbonylContact C-O 3.05Å; G425-L553 WeakPolarHBondContact CA-O 3.41Å; L427-L553 HydrophobicContact CB-CD2 4.08Å; L427-L553 HydrophobicContact CB-CG 3.97Å; L427-L553 HydrophobicContact CD1-CD1 4.08Å; L427-L553 HydrophobicContact CD1-CG 3.96Å; A430-L553 HydrophobicContact CB-CD2 3.85Å; V507-L553 HydrophobicContact CG1-CD1 4.46Å; V507-L553 HydrophobicContact CG2-CD1 4.12Å; A522-L553 HydrophobicContact CB-CD1 3.93Å; A522-L553 HydrophobicContact CB-CD2 4.19Å; V525-L553 HydrophobicContact CG2-CD2 4.06Å; R545-L553 WeakPolarHBondContact O-CA 3.31Å; V546-L553 HydrophobicContact CG2-CD1 3.92Å |
| 554 | T | 98.6 | Very high | 97.2 | Very high | 27 Ų | 27 | 51.9 Ų | 51.9 | 17% | 0.166 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133.8 | -169.5 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | N426 I544 R545 E552 L556 | N426-T554 VanDerWaalsContact OD1-CA 3.32Å; N426-T554 WeakPolarHBondContact OD1-CA 3.35Å; I544-T554 CarbonylContact C-O 3.57Å; I544-T554 WeakPolarHBondContact CA-O 3.4Å; R545-T554 PolarHBondContact N-O 2.83Å; R545-T554 PolarHBondContact O-N 2.68Å; E552-T554 WeakPolarHBondContact CG-OG1 3.41Å; E552-T554 WeakPolarHBondContact OE1-CB 3.28Å; E552-T554 PolarHBondContact OE1-OG1 2.97Å; T554-L556 HydrophobicContact CG2-CD1 4.06Å; T554-L556 WeakPolarHBondContact O-CD1 3.36Å |
| 555 | L | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 113.6 | 163.3 | 178.6 | 65.3 | 0 | 0 | 0 | 108.6 | N426 L427 L534 V538 D542 I544 V557 L562 | N426-L555 PolarHBondContact ND2-O 3Å; N426-L555 PolarHBondContact OD1-N 3.3Å; L427-L555 HydrophobicContact CD1-CB 4.1Å; L427-L555 HydrophobicContact CD2-CB 3.99Å; L427-L555 HydrophobicContact CD2-CD2 4.32Å; L427-L555 HydrophobicContact CG-CB 3.82Å; L534-L555 HydrophobicContact CD2-CD2 4.18Å; L534-L555 HydrophobicContact CG-CD2 4.27Å; V538-L555 HydrophobicContact CG1-CD1 4.47Å; V538-L555 HydrophobicContact CG2-CD1 4.23Å; V538-L555 HydrophobicContact CG2-CD2 3.99Å; D542-L555 HydrophobicContact CB-CD1 3.63Å; I544-L555 HydrophobicContact CD1-CD1 4.34Å; I544-L555 HydrophobicContact CG1-CD1 3.72Å; L555-V557 VanDerWaalsContact C-N 3.25Å; L555-V557 HydrophobicContact CD1-CG2 4.01Å; L555-V557 HydrophobicContact CD2-CG2 4.45Å; L555-V557 HydrophobicContact CG-CB 4.3Å; L555-V557 HydrophobicContact CG-CG2 3.89Å; L555-V557 PolarHBondContact O-N 2.73Å; L555-L562 HydrophobicContact CD2-CD1 4.35Å; L555-L562 HydrophobicContact CD2-CD2 3.54Å; L555-L562 HydrophobicContact CG-CD2 4.45Å |
| 556 | L | 98.6 | Very high | 97.1 | Very high | 64 Ų | 64 | 56.5 Ų | 56.5 | 34% | 0.335 | 32% | 0.324 | S | S | . | . | trans | -85.6 | 68.3 | -175.6 | -74.6 | 74.2 | 0 | 0 | 0 | 110.2 | I543 R545 T554 | I543-L556 HydrophobicContact CB-CB 4.06Å; I543-L556 HydrophobicContact CG2-CB 4.23Å; I543-L556 HydrophobicContact CG2-CD1 4.36Å; I543-L556 HydrophobicContact CG2-CD2 3.99Å; I543-L556 HydrophobicContact CG2-CG 4.44Å; I543-L556 PolarHBondContact O-N 2.84Å; R545-L556 HydrophobicContact CB-CD1 3.68Å; T554-L556 HydrophobicContact CG2-CD1 4.06Å; T554-L556 WeakPolarHBondContact O-CD1 3.36Å | ||
| 557 | V | 98.3 | Very high | 97 | Very high | 20 Ų | 20 | 58.7 Ų | 58.7 | 12% | 0.121 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -130.3 | 138.8 | 175.2 | 178.4 | 0 | 0 | 0 | 0 | 107.4 | D542 L555 E561 L562 | D542-V557 HydrophobicContact CB-CG2 4.11Å; L555-V557 VanDerWaalsContact C-N 3.25Å; L555-V557 HydrophobicContact CD1-CG2 4.01Å; L555-V557 HydrophobicContact CD2-CG2 4.45Å; L555-V557 HydrophobicContact CG-CB 4.3Å; L555-V557 HydrophobicContact CG-CG2 3.89Å; L555-V557 PolarHBondContact O-N 2.73Å; V557-E561 HydrophobicContact CG1-CB 3.87Å; V557-E561 HydrophobicContact CG1-CG 3.95Å; V557-L562 HydrophobicContact CB-CD1 4.24Å; V557-L562 HydrophobicContact CB-CD2 3.83Å; V557-L562 HydrophobicContact CB-CG 3.89Å; V557-L562 HydrophobicContact CG1-CD2 3.77Å; V557-L562 HydrophobicContact CG1-CG 3.77Å |
| 558 | D | 97.5 | Very high | 96.9 | Very high | 126 Ų | 126 | 61.7 Ų | 61.7 | 67% | 0.674 | 35% | 0.352 | S | S | * | . | trans | -57 | 140.1 | -179.9 | -73.9 | -40.2 | 0 | 0 | 0 | 111.3 | A560 E561 L562 | D558-A560 PolarHBondContact O-N 2.84Å; D558-E561 WeakPolarHBondContact O-CB 3.45Å; D558-E561 PolarHBondContact O-N 3.48Å; D558-L562 PolarHBondContact O-N 3.26Å | ||
| 559 | E | 96.9 | Very high | 96.9 | Very high | 171 Ų | 171 | 68.6 Ų | 68.6 | 80% | 0.799 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -57.3 | -36.9 | -178.4 | -69.4 | -174.9 | 169.5 | 0 | 0 | 112.5 | E561 L562 A563 | E559-E561 VanDerWaalsContact C-N 3.33Å; E559-E561 PolarHBondContact O-N 3.44Å; E559-L562 PolarHBondContact O-N 3Å; E559-A563 VanDerWaalsContact O-CB 3.3Å; E559-A563 WeakPolarHBondContact O-CB 3.35Å; E559-A563 PolarHBondContact O-N 3.12Å |
| 560 | A | 97.7 | Very high | 96.9 | Very high | 80 Ų | 80 | 65 Ų | 65 | 66% | 0.661 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.1 | -38.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D558 A564 | D558-A560 PolarHBondContact O-N 2.84Å; A560-A564 PolarHBondContact O-N 2.9Å |
| 561 | E | 98 | Very high | 96.9 | Very high | 88 Ų | 88 | 67 Ų | 67 | 41% | 0.411 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.6 | -46.3 | 175.4 | -174.7 | -177.3 | 157.7 | 0 | 0 | 110.4 | V557 D558 E559 A563 A564 R565 | V557-E561 HydrophobicContact CG1-CB 3.87Å; V557-E561 HydrophobicContact CG1-CG 3.95Å; D558-E561 WeakPolarHBondContact O-CB 3.45Å; D558-E561 PolarHBondContact O-N 3.48Å; E559-E561 VanDerWaalsContact C-N 3.33Å; E559-E561 PolarHBondContact O-N 3.44Å; E561-A563 VanDerWaalsContact C-N 3.27Å; E561-A563 PolarHBondContact O-N 2.8Å; E561-A564 PolarHBondContact O-N 3.46Å; E561-R565 WeakPolarHBondContact O-CG 3.47Å; E561-R565 PolarHBondContact O-N 3.37Å; E561-R565 IonicContact OE1-CZ 3.34Å; E561-R565 IonicContact OE1-NE 3.19Å; E561-R565 PolarHBondContact OE1-NE 3.44Å; E561-R565 IonicContact OE1-NH2 3.87Å; E561-R565 PolarHBondContact OE1-NH2 3.22Å |
| 562 | L | 97.2 | Very high | 96.8 | Very high | 13 Ų | 13 | 67.7 Ų | 67.7 | 7% | 0.068 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.7 | -35.4 | 177.2 | -69 | 176.8 | 0 | 0 | 0 | 113 | L534 K537 L555 V557 D558 E559 A564 R565 | L534-L562 HydrophobicContact CD1-CD1 4.34Å; L534-L562 HydrophobicContact CD1-CD2 4.3Å; L534-L562 HydrophobicContact CD2-CD1 4.12Å; K537-L562 WeakPolarHBondContact CD-O 3.34Å; K537-L562 PolarHBondContact NZ-O 3.23Å; L555-L562 HydrophobicContact CD2-CD1 4.35Å; L555-L562 HydrophobicContact CD2-CD2 3.54Å; L555-L562 HydrophobicContact CG-CD2 4.45Å; V557-L562 HydrophobicContact CB-CD1 4.24Å; V557-L562 HydrophobicContact CB-CD2 3.83Å; V557-L562 HydrophobicContact CB-CG 3.89Å; V557-L562 HydrophobicContact CG1-CD2 3.77Å; V557-L562 HydrophobicContact CG1-CG 3.77Å; D558-L562 PolarHBondContact O-N 3.26Å; E559-L562 PolarHBondContact O-N 3Å; L562-A564 VanDerWaalsContact C-N 3.34Å; L562-R565 PolarHBondContact O-N 2.98Å |
| 563 | A | 96.6 | Very high | 96.6 | Very high | 74 Ų | 74 | 68.3 Ų | 68.3 | 61% | 0.612 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.3 | -37.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E559 E561 | E559-A563 VanDerWaalsContact O-CB 3.3Å; E559-A563 WeakPolarHBondContact O-CB 3.35Å; E559-A563 PolarHBondContact O-N 3.12Å; E561-A563 VanDerWaalsContact C-N 3.27Å; E561-A563 PolarHBondContact O-N 2.8Å |
| 564 | A | 97.7 | Very high | 96.2 | Very high | 80 Ų | 80 | 71.6 Ų | 71.6 | 66% | 0.661 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -78.2 | -16.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A560 E561 L562 | A560-A564 PolarHBondContact O-N 2.9Å; E561-A564 PolarHBondContact O-N 3.46Å; L562-A564 VanDerWaalsContact C-N 3.34Å |
| 565 | R | 97.4 | Very high | 96 | Very high | 8 Ų | 8 | 71.2 Ų | 71.2 | 3% | 0.03 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 130.2 | 176.8 | -70.6 | -179.5 | -175.9 | -163.8 | 4.3 | 111 | K537 D542 E561 L562 | K537-R565 HydrophobicContact CB-CB 4.38Å; K537-R565 HydrophobicContact CD-CB 4.11Å; K537-R565 WeakPolarHBondContact CD-O 3.41Å; K537-R565 WeakPolarHBondContact CE-O 3.42Å; K537-R565 PolarHBondContact NZ-O 2.99Å; K537-R565 PolarHBondContact O-NH1 3.29Å; D542-R565 IonicContact OD1-CZ 3.47Å; D542-R565 IonicContact OD1-NH1 3.4Å; D542-R565 PolarHBondContact OD1-NH1 3.26Å; D542-R565 IonicContact OD1-NH2 2.73Å; D542-R565 PolarHBondContact OD1-NH2 3.28Å; D542-R565 IonicContact OD2-CZ 3.6Å; D542-R565 IonicContact OD2-NH1 3.15Å; D542-R565 PolarHBondContact OD2-NH1 3.48Å; D542-R565 IonicContact OD2-NH2 3.85Å; E561-R565 WeakPolarHBondContact O-CG 3.47Å; E561-R565 PolarHBondContact O-N 3.37Å; E561-R565 IonicContact OE1-CZ 3.34Å; E561-R565 IonicContact OE1-NE 3.19Å; E561-R565 PolarHBondContact OE1-NE 3.44Å; E561-R565 IonicContact OE1-NH2 3.87Å; E561-R565 PolarHBondContact OE1-NH2 3.22Å; L562-R565 PolarHBondContact O-N 2.98Å |
| 566 | E | 96.4 | Very high | 95.8 | Very high | 154 Ų | 154 | 73.3 Ų | 73.3 | 72% | 0.72 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 139.5 | 163.9 | -66 | -57.7 | 138 | 0 | 0 | 110.3 | ||
| 567 | P | 96.5 | Very high | 95.7 | Very high | 47 Ų | 47 | 74.2 Ų | 74.2 | 31% | 0.305 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 141.3 | 172.2 | 29.1 | -33 | 0 | 0 | 0 | 110.3 | A536 K537 I569 | A536-P567 HydrophobicContact CB-CB 3.71Å; K537-P567 HydrophobicContact CG-CB 4.23Å; P567-I569 PolarHBondContact O-N 3.42Å |
| 568 | H | 95.8 | Very high | 95.5 | Very high | 81 Ų | 81 | 74.8 Ų | 74.8 | 38% | 0.375 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 130.5 | 170.9 | -177.3 | 67.9 | 0 | 0 | 0 | 109.9 | E452 R475 H476 A536 | E452-H568 IonicContact OE1-CD2 3.71Å; E452-H568 PolarHBondContact OE1-CD2 2.94Å; E452-H568 VanDerWaalsContact OE1-CD2 3.25Å; E452-H568 IonicContact OE1-NE2 3.56Å; E452-H568 IonicContact OE2-CD2 2.68Å; R475-H568 VanDerWaalsContact NH2-CB 3.32Å; R475-H568 PolarHBondContact NH2-CD2 3.17Å; R475-H568 VanDerWaalsContact NH2-CG 3.31Å; H476-H568 AromaticContact CE1-CD2 3.85Å; A536-H568 PolarHBondContact O-N 3.07Å |
| 569 | I | 93.6 | Very high | 95.4 | Very high | 148 Ų | 148 | 73.2 Ų | 73.2 | 76% | 0.759 | 44% | 0.436 | S | S | * | . | trans | -105.2 | 113.3 | 175.4 | -57.9 | 174.4 | 0 | 0 | 0 | 107.5 | P567 | P567-I569 PolarHBondContact O-N 3.42Š| ||
| 570 | P | 92.3 | Very high | 95.4 | Very high | 26 Ų | 26 | 66.1 Ų | 66.1 | 17% | 0.169 | 41% | 0.408 | C | S | . | . | trans | -78.9 | 154.3 | -178 | 35.1 | -39.1 | 0 | 0 | 0 | 111.4 | H476 L572 | H476-P570 HydrophobicContact CB-CB 4.44Å; H476-P570 HydrophobicContact CB-CG 4.14Å; H476-P570 WeakPolarHBondContact NE2-CD 3.31Å; P570-L572 HydrophobicContact CB-CD2 4.19Å; P570-L572 HydrophobicContact CB-CG 4.04Å; P570-L572 HydrophobicContact CG-CD1 3.77Å; P570-L572 HydrophobicContact CG-CD2 4.19Å; P570-L572 HydrophobicContact CG-CG 3.7Å; P570-L572 PolarHBondContact O-N 3Å | ||
| 571 | D | 94.1 | Very high | 95.4 | Very high | 135 Ų | 135 | 62.9 Ų | 62.9 | 72% | 0.722 | 38% | 0.379 | S | S | * | . | trans | -85.1 | 103.5 | 159.7 | -178.7 | 4.1 | 0 | 0 | 0 | 109.4 | S573 | D571-S573 WeakPolarHBondContact OD1-CB 3.22Å; D571-S573 PolarHBondContact OD1-N 3.46Å; D571-S573 PolarHBondContact OD1-OG 3.37Å; D571-S573 PolarHBondContact OD2-OG 3.3Å | ||
| 572 | L | 93.8 | Very high | 95.3 | Very high | 24 Ų | 24 | 63.3 Ų | 63.3 | 13% | 0.126 | 38% | 0.381 | C | S | . | . | trans | -98.5 | 10.6 | 178.8 | -64.6 | 171.8 | 0 | 0 | 0 | 113 | H476 A481 Y530 P570 A574 S575 R576 | H476-L572 HydrophobicContact CB-CD2 4.42Å; A481-L572 HydrophobicContact CB-CD1 4.24Å; Y530-L572 HydrophobicContact CD2-CD1 3.55Å; Y530-L572 HydrophobicContact CE2-CD1 3.73Å; P570-L572 HydrophobicContact CB-CD2 4.19Å; P570-L572 HydrophobicContact CB-CG 4.04Å; P570-L572 HydrophobicContact CG-CD1 3.77Å; P570-L572 HydrophobicContact CG-CD2 4.19Å; P570-L572 HydrophobicContact CG-CG 3.7Å; P570-L572 PolarHBondContact O-N 3Å; L572-A574 PolarHBondContact O-N 3.34Å; L572-S575 PolarHBondContact O-N 2.99Å; L572-R576 WeakPolarHBondContact O-CG 3.34Å; L572-R576 PolarHBondContact O-N 3.27Å | ||
| 573 | S | 93.4 | Very high | 95.3 | Very high | 67 Ų | 67 | 69.4 Ų | 69.4 | 47% | 0.469 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -54 | -38.7 | -176.6 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | D571 S575 R576 | D571-S573 WeakPolarHBondContact OD1-CB 3.22Å; D571-S573 PolarHBondContact OD1-N 3.46Å; D571-S573 PolarHBondContact OD1-OG 3.37Å; D571-S573 PolarHBondContact OD2-OG 3.3Å; S573-S575 PolarHBondContact O-N 2.82Å; S573-R576 WeakPolarHBondContact O-CB 3.4Å; S573-R576 PolarHBondContact O-N 3.39Å; S573-R576 VanDerWaalsContact O-N 3.14Å |
| 574 | A | 92 | Very high | 95.4 | Very high | 68 Ų | 68 | 67.6 Ų | 67.6 | 56% | 0.562 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -64.3 | -35.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L572 R576 R581 | L572-A574 PolarHBondContact O-N 3.34Å; A574-R576 PolarHBondContact O-N 3.19Å; A574-R581 PolarHBondContact O-NH1 2.95Å; A574-R581 PolarHBondContact O-NH2 2.91Å |
| 575 | S | 93.1 | Very high | 95.3 | Very high | 19 Ų | 19 | 65.3 Ų | 65.3 | 13% | 0.133 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -81.9 | 6.6 | 175.7 | -64.7 | 0 | 0 | 0 | 0 | 113.3 | E123 L572 S573 | E123-S575 PolarHBondContact OE1-OG 2.85Å; E123-S575 WeakPolarHBondContact OE2-CB 3.49Å; L572-S575 PolarHBondContact O-N 2.99Å; S573-S575 PolarHBondContact O-N 2.82Å |
| 576 | R | 95 | Very high | 95.3 | Very high | 46 Ų | 46 | 68.4 Ų | 68.4 | 17% | 0.174 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -101.6 | -22.3 | 176.2 | -61.9 | -70.9 | 171.3 | -92 | 4.2 | 113.1 | K480 A481 L572 S573 A574 R581 E582 | K480-R576 PolarHBondContact O-NH2 2.71Å; A481-R576 PolarHBondContact O-NH1 2.73Å; A481-R576 PolarHBondContact O-NH2 3.49Å; L572-R576 WeakPolarHBondContact O-CG 3.34Å; L572-R576 PolarHBondContact O-N 3.27Å; S573-R576 WeakPolarHBondContact O-CB 3.4Å; S573-R576 PolarHBondContact O-N 3.39Å; S573-R576 VanDerWaalsContact O-N 3.14Å; A574-R576 PolarHBondContact O-N 3.19Å; R576-R581 CarbonylContact O-C 3.34Å; R576-E582 WeakPolarHBondContact O-CA 3.35Å; R576-E582 PolarHBondContact O-N 3.45Å |
| 577 | V | 95.6 | Very high | 95.3 | Very high | 84 Ų | 84 | 63 Ų | 63 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -133.2 | 156.3 | -172.5 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | R581 E582 | V577-R581 PolarHBondContact O-NE 3.24Å; V577-R581 PolarHBondContact O-NH2 2.61Å; V577-E582 WeakPolarHBondContact CA-OE2 3.32Å; V577-E582 HydrophobicContact CG1-CB 4.48Å |
| 578 | G | 95.8 | Very high | 95.4 | Very high | 31 Ų | 31 | 60.9 Ų | 60.9 | 32% | 0.32 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 89.2 | 148.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G580 R581 E582 | G578-G580 PolarHBondContact O-N 3.2Å; G578-G580 VanDerWaalsContact O-N 3.12Å; G578-R581 WeakPolarHBondContact O-CB 3.15Å; G578-R581 VanDerWaalsContact O-CG 3.26Å; G578-R581 WeakPolarHBondContact O-CG 3.34Å; G578-R581 PolarHBondContact O-N 3.3Å; G578-R581 PolarHBondContact O-NE 2.75Å; G578-E582 PolarHBondContact N-OE2 3.13Å |
| 579 | T | 94.9 | Very high | 95.4 | Very high | 94 Ų | 94 | 62.8 Ų | 62.8 | 58% | 0.577 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 27.2 | -171.2 | -45.6 | 0 | 0 | 0 | 0 | 112.3 | L124 R581 | L124-T579 WeakPolarHBondContact CD1-O 3.38Å; T579-R581 VanDerWaalsContact C-N 3.34Å; T579-R581 PolarHBondContact O-N 2.82Å |
| 580 | G | 96.4 | Very high | 95.6 | Very high | 21 Ų | 21 | 62.9 Ų | 62.9 | 22% | 0.216 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 7.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | G578 E582 L583 F584 | G578-G580 PolarHBondContact O-N 3.2Å; G578-G580 VanDerWaalsContact O-N 3.12Å; G580-E582 PolarHBondContact O-N 3.37Å; G580-E582 VanDerWaalsContact O-N 3.11Å; G580-L583 WeakPolarHBondContact O-CB 3.41Å; G580-L583 PolarHBondContact O-N 2.93Å; G580-F584 WeakPolarHBondContact O-CD2 2.82Å |
| 581 | R | 97.5 | Very high | 95.9 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 5% | 0.049 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -56.4 | -27.6 | -179 | -75.6 | 178.8 | -69 | -159.8 | -8.3 | 114.3 | D120 E123 L124 A574 R576 V577 G578 T579 L583 F584 R588 | D120-R581 IonicContact OD2-CZ 2.74Å; D120-R581 IonicContact OD2-NH1 3.29Å; D120-R581 PolarHBondContact OD2-NH1 2.88Å; D120-R581 IonicContact OD2-NH2 2.74Å; D120-R581 PolarHBondContact OD2-NH2 3.04Å; E123-R581 IonicContact OE1-NH1 2.66Å; E123-R581 WeakPolarHBondContact OE2-CD 3.44Å; E123-R581 IonicContact OE2-CZ 2.71Å; E123-R581 IonicContact OE2-NE 3.59Å; E123-R581 IonicContact OE2-NH1 3.65Å; E123-R581 PolarHBondContact OE2-NH1 3.05Å; L124-R581 HydrophobicContact CD2-CG 4.03Å; L124-R581 HydrophobicContact CG-CG 4.28Å; A574-R581 PolarHBondContact O-NH1 2.95Å; A574-R581 PolarHBondContact O-NH2 2.91Å; R576-R581 CarbonylContact O-C 3.34Å; V577-R581 PolarHBondContact O-NE 3.24Å; V577-R581 PolarHBondContact O-NH2 2.61Å; G578-R581 WeakPolarHBondContact O-CB 3.15Å; G578-R581 VanDerWaalsContact O-CG 3.26Å; G578-R581 WeakPolarHBondContact O-CG 3.34Å; G578-R581 PolarHBondContact O-N 3.3Å; G578-R581 PolarHBondContact O-NE 2.75Å; T579-R581 VanDerWaalsContact C-N 3.34Å; T579-R581 PolarHBondContact O-N 2.82Å; R581-L583 PolarHBondContact O-N 2.94Å; R581-F584 PolarHBondContact O-N 3.07Å; R581-F584 VanDerWaalsContact O-N 3.16Å; R581-R588 PolarHBondContact O-NH2 3.48Å; R581-R588 VanDerWaalsContact O-NH2 3.14Å |
| 582 | E | 96.6 | Very high | 96 | Very high | 97 Ų | 97 | 56.8 Ų | 56.8 | 45% | 0.453 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -62.9 | -28.4 | 176.8 | 57.6 | -84.4 | -168.5 | 0 | 0 | 113 | R576 V577 G578 G580 F584 S585 | R576-E582 WeakPolarHBondContact O-CA 3.35Å; R576-E582 PolarHBondContact O-N 3.45Å; V577-E582 WeakPolarHBondContact CA-OE2 3.32Å; V577-E582 HydrophobicContact CG1-CB 4.48Å; G578-E582 PolarHBondContact N-OE2 3.13Å; G580-E582 PolarHBondContact O-N 3.37Å; G580-E582 VanDerWaalsContact O-N 3.11Å; E582-F584 PolarHBondContact O-N 3.44Å; E582-S585 PolarHBondContact O-OG 3.38Å |
| 583 | L | 97.8 | Very high | 96.2 | Very high | 140 Ų | 140 | 56.2 Ų | 56.2 | 73% | 0.733 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -72.3 | -16.2 | 177.8 | -58.6 | 178.2 | 0 | 0 | 0 | 112.7 | G580 R581 | G580-L583 WeakPolarHBondContact O-CB 3.41Å; G580-L583 PolarHBondContact O-N 2.93Å; R581-L583 PolarHBondContact O-N 2.94Å |
| 584 | F | 97.7 | Very high | 96.4 | Very high | 36 Ų | 36 | 53 Ų | 53 | 16% | 0.158 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -107.3 | 0.6 | -172.5 | -67.4 | -100.4 | 0 | 0 | 0 | 113.7 | L124 L127 V131 G580 R581 E582 A586 L587 R588 | L124-F584 HydrophobicContact CD1-CD2 4.17Å; L124-F584 HydrophobicContact CD1-CE2 3.79Å; L124-F584 HydrophobicContact CD1-CZ 4.31Å; L124-F584 HydrophobicContact CD2-CB 4.1Å; L124-F584 HydrophobicContact CD2-CD1 4.18Å; L124-F584 HydrophobicContact CD2-CD2 3.48Å; L124-F584 VanDerWaalsContact CD2-CD2 3.48Å; L124-F584 HydrophobicContact CD2-CE1 4.46Å; L124-F584 HydrophobicContact CD2-CE2 3.87Å; L124-F584 HydrophobicContact CD2-CG 3.67Å; L124-F584 HydrophobicContact CD2-CZ 4.33Å; L124-F584 HydrophobicContact CG-CD2 4.45Å; L124-F584 HydrophobicContact CG-CE2 4.4Å; L127-F584 HydrophobicContact CB-CD1 3.81Å; L127-F584 HydrophobicContact CB-CE1 4.18Å; L127-F584 HydrophobicContact CD1-CB 3.93Å; L127-F584 HydrophobicContact CD1-CD1 4.18Å; L127-F584 HydrophobicContact CD1-CG 4.34Å; L127-F584 HydrophobicContact CD2-CD1 4.43Å; L127-F584 HydrophobicContact CG-CD1 4.37Å; V131-F584 HydrophobicContact CG2-CD1 4.38Å; V131-F584 HydrophobicContact CG2-CE1 3.55Å; V131-F584 HydrophobicContact CG2-CZ 4.3Å; G580-F584 WeakPolarHBondContact O-CD2 2.82Å; R581-F584 PolarHBondContact O-N 3.07Å; R581-F584 VanDerWaalsContact O-N 3.16Å; E582-F584 PolarHBondContact O-N 3.44Å; F584-A586 VanDerWaalsContact C-N 3.31Å; F584-A586 PolarHBondContact O-N 3.38Å; F584-L587 HydrophobicContact CD1-CD1 4.18Å; F584-L587 PolarHBondContact O-N 3.49Å; F584-R588 WeakPolarHBondContact O-CB 3.41Å; F584-R588 PolarHBondContact O-N 3.08Å |
| 585 | S | 96.4 | Very high | 96.7 | Very high | 32 Ų | 32 | 50.9 Ų | 50.9 | 22% | 0.224 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.8 | -45.9 | -176 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | E582 L587 R588 E589 | E582-S585 PolarHBondContact O-OG 3.38Å; S585-L587 VanDerWaalsContact C-N 3.31Å; S585-L587 PolarHBondContact O-N 3.47Å; S585-R588 PolarHBondContact O-N 3.25Å; S585-E589 WeakPolarHBondContact O-CG 3.5Å; S585-E589 PolarHBondContact O-N 3.35Å |
| 586 | A | 96.4 | Very high | 96.9 | Very high | 74 Ų | 74 | 53.5 Ų | 53.5 | 61% | 0.612 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.6 | -35.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F584 K590 | F584-A586 VanDerWaalsContact C-N 3.31Å; F584-A586 PolarHBondContact O-N 3.38Å; A586-K590 WeakPolarHBondContact O-CG 3.47Å |
| 587 | L | 97.5 | Very high | 97 | Very high | 39 Ų | 39 | 51.3 Ų | 51.3 | 20% | 0.204 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -74.5 | -45.3 | 176.6 | -62.1 | -179.6 | 0 | 0 | 0 | 110.9 | L127 V131 M134 F584 S585 E589 K590 L591 | L127-L587 HydrophobicContact CD2-CB 3.71Å; V131-L587 HydrophobicContact CG2-CD1 4.25Å; M134-L587 HydrophobicContact CE-CD2 3.89Å; F584-L587 HydrophobicContact CD1-CD1 4.18Å; F584-L587 PolarHBondContact O-N 3.49Å; S585-L587 VanDerWaalsContact C-N 3.31Å; S585-L587 PolarHBondContact O-N 3.47Å; L587-E589 VanDerWaalsContact C-N 3.35Å; L587-E589 PolarHBondContact O-N 2.8Å; L587-K590 CarbonylContact O-C 3.45Å; L587-K590 PolarHBondContact O-N 3.31Å; L587-L591 PolarHBondContact O-N 3.23Å |
| 588 | R | 97.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 1% | 0.011 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.8 | -46.1 | -178.5 | -168.9 | -173.9 | -60.3 | 106 | 1.6 | 111.6 | L127 P479 K480 R581 F584 S585 K590 L591 | L127-R588 HydrophobicContact CD1-CB 4.37Å; P479-R588 WeakPolarHBondContact O-CG 3.25Å; K480-R588 WeakPolarHBondContact O-CD 3.33Å; R581-R588 PolarHBondContact O-NH2 3.48Å; R581-R588 VanDerWaalsContact O-NH2 3.14Å; F584-R588 WeakPolarHBondContact O-CB 3.41Å; F584-R588 PolarHBondContact O-N 3.08Å; S585-R588 PolarHBondContact O-N 3.25Å; R588-K590 PolarHBondContact O-N 2.9Å; R588-L591 PolarHBondContact O-N 2.78Å |
| 589 | E | 96 | Very high | 97.2 | Very high | 122 Ų | 122 | 46.3 Ų | 46.3 | 57% | 0.57 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.6 | 178.5 | -72.3 | 172.9 | -170.2 | 0 | 0 | 113.6 | S585 L587 | S585-E589 WeakPolarHBondContact O-CG 3.5Å; S585-E589 PolarHBondContact O-N 3.35Å; L587-E589 VanDerWaalsContact C-N 3.35Å; L587-E589 PolarHBondContact O-N 2.8Å |
| 590 | K | 97.3 | Very high | 97.3 | Very high | 150 Ų | 150 | 42.9 Ų | 42.9 | 65% | 0.652 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -2.9 | -179.2 | -64.9 | -60 | -178.1 | -170.8 | 0 | 114 | A586 L587 R588 S592 C600 | A586-K590 WeakPolarHBondContact O-CG 3.47Å; L587-K590 CarbonylContact O-C 3.45Å; L587-K590 PolarHBondContact O-N 3.31Å; R588-K590 PolarHBondContact O-N 2.9Å; K590-S592 PolarHBondContact O-N 3.19Å; K590-C600 HydrophobicContact CB-CB 3.86Å; K590-C600 WeakPolarHBondContact O-CA 3.46Å |
| 591 | L | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 131.6 | 174.5 | -68.9 | 172.8 | 0 | 0 | 0 | 110.1 | L127 E130 P479 K480 L587 R588 A598 C600 | L127-L591 HydrophobicContact CD2-CD1 3.87Å; L127-L591 HydrophobicContact CD2-CD2 4.33Å; L127-L591 HydrophobicContact CD2-CG 4.28Å; L127-L591 HydrophobicContact CG-CD1 4.23Å; E130-L591 HydrophobicContact CG-CD2 4.46Å; P479-L591 HydrophobicContact CB-CB 3.7Å; P479-L591 HydrophobicContact CB-CD1 3.91Å; P479-L591 HydrophobicContact CB-CG 4.43Å; P479-L591 WeakPolarHBondContact O-CD1 3.46Å; K480-L591 WeakPolarHBondContact CE-O 3.28Å; L587-L591 PolarHBondContact O-N 3.23Å; R588-L591 PolarHBondContact O-N 2.78Å; L591-A598 WeakPolarHBondContact CD2-O 3.36Å; L591-C600 HydrophobicContact CD2-CB 4.13Å |
| 592 | S | 97.8 | Very high | 97.2 | Very high | 31 Ų | 31 | 49.6 Ų | 49.6 | 22% | 0.217 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 171.1 | 168.4 | 72.7 | 0 | 0 | 0 | 0 | 111.4 | K590 A598 T599 | K590-S592 PolarHBondContact O-N 3.19Å; S592-A598 WeakPolarHBondContact O-CA 3.49Å; S592-A598 WeakPolarHBondContact OG-CA 3.31Å; S592-A598 PolarHBondContact OG-N 2.87Å; S592-T599 PolarHBondContact N-O 3.1Å; S592-T599 PolarHBondContact OG-N 3.31Å; S592-T599 VanDerWaalsContact OG-N 3.1Å |
| 593 | G | 97 | Very high | 96.9 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 13% | 0.134 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 164.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E595 Q596 A598 | G593-E595 PolarHBondContact O-N 3.35Å; G593-Q596 VanDerWaalsContact CA-OE1 3.24Å; G593-Q596 PolarHBondContact O-N 2.95Å; G593-Q596 VanDerWaalsContact O-N 3.15Å; G593-Q596 PolarHBondContact O-OE1 2.72Å; G593-A598 WeakPolarHBondContact O-CA 3.33Å; G593-A598 PolarHBondContact O-N 3.01Å |
| 594 | A | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -42.9 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | M305 W320 M484 H524 T526 Q596 G597 | M305-A594 HydrophobicContact CG-CB 4.22Å; M305-A594 WeakPolarHBondContact CG-O 3.27Å; M305-A594 HydrophobicContact SD-CB 3.82Å; W320-A594 HydrophobicContact CH2-CB 4.35Å; W320-A594 HydrophobicContact CZ2-CB 4.22Å; M484-A594 HydrophobicContact SD-CB 4.39Å; H524-A594 HydrophobicContact CB-CB 3.66Å; T526-A594 PolarHBondContact OG1-N 2.84Å; A594-Q596 PolarHBondContact O-N 2.95Å; A594-Q596 VanDerWaalsContact O-N 3.17Å; A594-G597 WeakPolarHBondContact O-CA 3.13Å; A594-G597 PolarHBondContact O-N 2.84Å |
| 595 | E | 97.4 | Very high | 96.8 | Very high | 22 Ų | 22 | 44.2 Ų | 44.2 | 10% | 0.103 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -29.2 | 176.5 | -177.8 | 166.6 | -156.3 | 0 | 0 | 112.8 | W320 R429 G593 G597 | W320-E595 HydrophobicContact CB-CG 4.33Å; W320-E595 WeakPolarHBondContact CB-OE1 3.41Å; W320-E595 HydrophobicContact CD2-CB 3.8Å; W320-E595 HydrophobicContact CD2-CG 3.69Å; W320-E595 HydrophobicContact CE3-CB 3.85Å; W320-E595 HydrophobicContact CE3-CG 3.92Å; W320-E595 HydrophobicContact CG-CB 4.45Å; W320-E595 HydrophobicContact CG-CG 3.86Å; W320-E595 HydrophobicContact CH2-CB 3.94Å; W320-E595 HydrophobicContact CZ2-CB 3.9Å; W320-E595 HydrophobicContact CZ3-CB 3.9Å; W320-E595 HydrophobicContact CZ3-CG 4.48Å; W320-E595 PolarHBondContact N-OE1 2.96Å; R429-E595 WeakPolarHBondContact CD-OE2 3.41Å; R429-E595 IonicContact CZ-OE1 3.91Å; R429-E595 IonicContact CZ-OE2 2.82Å; R429-E595 IonicContact NE-OE1 3.16Å; R429-E595 PolarHBondContact NE-OE1 3.22Å; R429-E595 VanDerWaalsContact NE-OE1 3.13Å; R429-E595 IonicContact NE-OE2 3.71Å; R429-E595 PolarHBondContact NE-OE2 3.35Å; R429-E595 IonicContact NH2-OE1 3.47Å; R429-E595 PolarHBondContact NH2-OE1 3.44Å; G593-E595 PolarHBondContact O-N 3.35Å; E595-G597 PolarHBondContact O-N 2.79Å |
| 596 | Q | 97.4 | Very high | 96.8 | Very high | 75 Ų | 75 | 44.9 Ų | 44.9 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 7.5 | 176.8 | -61 | 78.4 | 29.4 | 0 | 0 | 113.3 | R312 G593 A594 | R312-Q596 PolarHBondContact NH1-O 2.87Å; G593-Q596 VanDerWaalsContact CA-OE1 3.24Å; G593-Q596 PolarHBondContact O-N 2.95Å; G593-Q596 VanDerWaalsContact O-N 3.15Å; G593-Q596 PolarHBondContact O-OE1 2.72Å; A594-Q596 PolarHBondContact O-N 2.95Å; A594-Q596 VanDerWaalsContact O-N 3.17Å |
| 597 | G | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.6 | 2.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R129 M305 A594 E595 T599 | R129-G597 PolarHBondContact NH1-O 3.39Å; R129-G597 PolarHBondContact NH2-O 3.49Å; R129-G597 VanDerWaalsContact NH2-O 3.15Å; M305-G597 WeakPolarHBondContact O-CA 3.35Å; A594-G597 WeakPolarHBondContact O-CA 3.13Å; A594-G597 PolarHBondContact O-N 2.84Å; E595-G597 PolarHBondContact O-N 2.79Å; G597-T599 VanDerWaalsContact C-N 3.29Å; G597-T599 PolarHBondContact O-N 3.03Å |
| 598 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 41.5 | 56.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L126 R129 M305 P479 L591 S592 G593 | L126-A598 HydrophobicContact CD2-CB 3.69Å; R129-A598 PolarHBondContact NH2-O 3.24Å; M305-A598 HydrophobicContact SD-CB 4.24Å; P479-A598 HydrophobicContact CB-CB 4.25Å; P479-A598 HydrophobicContact CG-CB 3.81Å; L591-A598 WeakPolarHBondContact CD2-O 3.36Å; S592-A598 WeakPolarHBondContact O-CA 3.49Å; S592-A598 WeakPolarHBondContact OG-CA 3.31Å; S592-A598 PolarHBondContact OG-N 2.87Å; G593-A598 WeakPolarHBondContact O-CA 3.33Å; G593-A598 PolarHBondContact O-N 3.01Å |
| 599 | T | 98.1 | Very high | 96.7 | Very high | 10 Ų | 10 | 46.1 Ų | 46.1 | 6% | 0.061 | 24% | 0.239 | C | C | . | . | trans | -117.5 | 146.9 | -178.2 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | R129 E130 S592 G597 I601 | R129-T599 VanDerWaalsContact NH2-CA 3.32Å; R129-T599 VanDerWaalsContact NH2-CB 3.27Å; E130-T599 WeakPolarHBondContact OE2-CA 3.28Å; E130-T599 PolarHBondContact OE2-OG1 2.92Å; S592-T599 PolarHBondContact N-O 3.1Å; S592-T599 PolarHBondContact OG-N 3.31Å; S592-T599 VanDerWaalsContact OG-N 3.1Å; G597-T599 VanDerWaalsContact C-N 3.29Å; G597-T599 PolarHBondContact O-N 3.03Å; T599-I601 PolarHBondContact OG1-N 3.47Å | ||
| 600 | C | 97.6 | Very high | 96.8 | Very high | 22 Ų | 22 | 40.7 Ų | 40.7 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | trans | -100.2 | -6.6 | 171.7 | 66.4 | 0 | 0 | 0 | 0 | 112.4 | E130 K590 L591 | E130-C600 PolarHBondContact OE2-N 2.58Å; E130-C600 PolarHBondContact OE2-SG 2.99Å; K590-C600 HydrophobicContact CB-CB 3.86Å; K590-C600 WeakPolarHBondContact O-CA 3.46Å; L591-C600 HydrophobicContact CD2-CB 4.13Å | ||
| 601 | I | 97.3 | Very high | 96.7 | Very high | 36 Ų | 36 | 32.3 Ų | 32.3 | 19% | 0.185 | 18% | 0.182 | C | C | . | . | trans | -86.9 | 126 | -178.6 | -61.8 | 167.1 | 0 | 0 | 0 | 109.3 | E130 A133 M134 M163 T599 F603 | E130-I601 HydrophobicContact CB-CD1 4.41Å; E130-I601 PolarHBondContact OE2-N 2.64Å; A133-I601 HydrophobicContact CB-CD1 3.95Å; M134-I601 HydrophobicContact CE-CD1 4.2Å; M134-I601 HydrophobicContact CE-CG1 3.89Å; M163-I601 HydrophobicContact CE-CD1 3.74Å; T599-I601 PolarHBondContact OG1-N 3.47Å; I601-F603 HydrophobicContact CB-CE1 4.5Å; I601-F603 HydrophobicContact CB-CE2 3.94Å; I601-F603 HydrophobicContact CB-CZ 3.89Å; I601-F603 HydrophobicContact CG2-CD1 3.97Å; I601-F603 HydrophobicContact CG2-CD2 4.13Å; I601-F603 HydrophobicContact CG2-CE1 3.55Å; I601-F603 HydrophobicContact CG2-CE2 3.73Å; I601-F603 HydrophobicContact CG2-CG 4.25Å; I601-F603 HydrophobicContact CG2-CZ 3.42Å; I601-F603 VanDerWaalsContact CG2-CZ 3.42Å | ||
| 602 | T | 92.7 | Very high | 96.6 | Very high | 138 Ų | 138 | 34.9 Ų | 34.9 | 85% | 0.847 | 20% | 0.197 | S | C | * | . | trans | -95.3 | 118.8 | 171.8 | 53.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 603 | F | 90.4 | Very high | 96.5 | Very high | 72 Ų | 72 | 35.3 Ų | 35.3 | 32% | 0.316 | 20% | 0.195 | S | C | . | . | trans | -98.2 | 0 | -172.5 | -69.6 | -75 | 0 | 0 | 0 | 114.7 | R26 M163 R312 A313 I601 | R26-F603 PolarHBondContact NH1-OXT 3.16Å; R26-F603 PolarHBondContact NH2-OXT 3.14Å; M163-F603 HydrophobicContact CB-CZ 4.17Å; M163-F603 HydrophobicContact CE-CE2 4.05Å; M163-F603 HydrophobicContact CE-CZ 3.66Å; M163-F603 HydrophobicContact CG-CZ 4.23Å; R312-F603 HydrophobicContact CB-CD2 4.41Å; R312-F603 HydrophobicContact CG-CD2 4Å; A313-F603 HydrophobicContact CB-CD1 3.83Å; A313-F603 HydrophobicContact CB-CD2 4.33Å; A313-F603 HydrophobicContact CB-CE1 3.53Å; A313-F603 HydrophobicContact CB-CE2 4.06Å; A313-F603 HydrophobicContact CB-CG 4.22Å; A313-F603 HydrophobicContact CB-CZ 3.64Å; I601-F603 HydrophobicContact CB-CE1 4.5Å; I601-F603 HydrophobicContact CB-CE2 3.94Å; I601-F603 HydrophobicContact CB-CZ 3.89Å; I601-F603 HydrophobicContact CG2-CD1 3.97Å; I601-F603 HydrophobicContact CG2-CD2 4.13Å; I601-F603 HydrophobicContact CG2-CE1 3.55Å; I601-F603 HydrophobicContact CG2-CE2 3.73Å; I601-F603 HydrophobicContact CG2-CG 4.25Å; I601-F603 HydrophobicContact CG2-CZ 3.42Å; I601-F603 VanDerWaalsContact CG2-CZ 3.42Å |
Retrieved 603 of 603 residues in 995.8 ms
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