| 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 | 82.9 | Confident | 94.7 | Very high | 59 Ų | 59 | 64.1 Ų | 64.1 | 29% | 0.291 | 33% | 0.33 | S | S | . | . | 0 | -49.1 | 0 | -160.4 | 55 | -146.4 | 0 | 0 | 111.9 | T3 I4 I5 Q29 L37 | M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 3.07Å; M1-I4 HydrophobicContact CE-CG2 3.63Å; M1-I4 WeakPolarHBondContact O-CG2 3.42Å; M1-I4 PolarHBondContact O-N 3.16Å; M1-I4 HydrophobicContact SD-CG2 3.71Å; M1-I5 HydrophobicContact CE-CD1 4Å; M1-I5 HydrophobicContact CE-CG1 3.68Å; M1-I5 HydrophobicContact CG-CD1 3.86Å; M1-I5 HydrophobicContact CG-CG1 4.4Å; M1-I5 WeakPolarHBondContact O-CG1 3.47Å; M1-I5 PolarHBondContact O-N 3.32Å; M1-I5 VanDerWaalsContact O-N 3.07Å; M1-Q29 HydrophobicContact CE-CG 4.27Å; M1-Q29 HydrophobicContact CG-CG 4.34Å; M1-Q29 HydrophobicContact SD-CB 4.47Å; M1-Q29 HydrophobicContact SD-CG 3.62Å; M1-Q29 PolarHBondContact SD-NE2 2.9Å; M1-Q29 VanDerWaalsContact SD-NE2 3.44Å; M1-L37 HydrophobicContact CE-CD1 4.44Å; M1-L37 HydrophobicContact CE-CD2 3.26Å; M1-L37 HydrophobicContact CE-CG 3.8Å | |||
| 2 | E | 88.6 | Confident | 94.9 | Very high | 169 Ų | 169 | 63.7 Ų | 63.7 | 79% | 0.79 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -53.8 | -43.5 | 178.9 | -64.2 | 176.3 | 176.2 | 0 | 0 | 113.7 | I4 I5 A6 | E2-I4 PolarHBondContact O-N 3.34Å; E2-I5 PolarHBondContact O-N 2.9Å; E2-A6 PolarHBondContact O-N 3.2Å |
| 3 | T | 93.9 | Very high | 95.1 | Very high | 101 Ų | 101 | 64.3 Ų | 64.3 | 62% | 0.62 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58.5 | -48.8 | 179.1 | -45.7 | 0 | 0 | 0 | 0 | 112.9 | M1 I5 A6 H7 | M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 3.07Å; T3-I5 VanDerWaalsContact C-N 3.34Å; T3-I5 PolarHBondContact O-N 3.46Å; T3-A6 WeakPolarHBondContact O-CB 3.39Å; T3-A6 PolarHBondContact O-N 2.98Å; T3-H7 PolarHBondContact O-CD2 3.13Å; T3-H7 PolarHBondContact O-N 3.04Å; T3-H7 VanDerWaalsContact O-N 3.09Å |
| 4 | I | 94.9 | Very high | 95.3 | Very high | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.3 | -34 | 179.6 | -179.6 | 61.8 | 0 | 0 | 0 | 111.4 | M1 E2 A6 H7 V8 V16 W19 L37 | M1-I4 HydrophobicContact CE-CG2 3.63Å; M1-I4 WeakPolarHBondContact O-CG2 3.42Å; M1-I4 PolarHBondContact O-N 3.16Å; M1-I4 HydrophobicContact SD-CG2 3.71Å; E2-I4 PolarHBondContact O-N 3.34Å; I4-A6 VanDerWaalsContact C-N 3.31Å; I4-A6 PolarHBondContact O-N 3.34Å; I4-H7 HydrophobicContact CD1-CB 4.43Å; I4-H7 PolarHBondContact O-N 3.35Å; I4-V8 HydrophobicContact CD1-CG2 4.49Å; I4-V8 WeakPolarHBondContact O-CG2 3.05Å; I4-V8 PolarHBondContact O-N 3Å; I4-V16 HydrophobicContact CD1-CB 4.26Å; I4-V16 HydrophobicContact CD1-CG1 4.41Å; I4-V16 HydrophobicContact CD1-CG2 3.9Å; I4-W19 HydrophobicContact CB-CD2 4.2Å; I4-W19 HydrophobicContact CB-CG 4.14Å; I4-W19 HydrophobicContact CD1-CB 3.62Å; I4-W19 HydrophobicContact CD1-CD2 3.98Å; I4-W19 HydrophobicContact CD1-CE3 4.29Å; I4-W19 HydrophobicContact CD1-CG 3.67Å; I4-W19 HydrophobicContact CG1-CB 4.28Å; I4-W19 HydrophobicContact CG1-CD2 3.64Å; I4-W19 HydrophobicContact CG1-CE3 3.96Å; I4-W19 HydrophobicContact CG1-CG 3.77Å; I4-W19 HydrophobicContact CG2-CD2 4.44Å; I4-W19 HydrophobicContact CG2-CZ2 4.2Å; I4-L37 HydrophobicContact CG1-CD1 3.97Å; I4-L37 HydrophobicContact CG1-CD2 4.1Å; I4-L37 HydrophobicContact CG2-CD2 4.36Å |
| 5 | I | 95.9 | Very high | 95.4 | Very high | 16 Ų | 16 | 69.3 Ų | 69.3 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 172 | -68 | 168.2 | 0 | 0 | 0 | 110.1 | M1 E2 T3 V8 R9 D31 L37 W40 | M1-I5 HydrophobicContact CE-CD1 4Å; M1-I5 HydrophobicContact CE-CG1 3.68Å; M1-I5 HydrophobicContact CG-CD1 3.86Å; M1-I5 HydrophobicContact CG-CG1 4.4Å; M1-I5 WeakPolarHBondContact O-CG1 3.47Å; M1-I5 PolarHBondContact O-N 3.32Å; M1-I5 VanDerWaalsContact O-N 3.07Å; E2-I5 PolarHBondContact O-N 2.9Å; T3-I5 VanDerWaalsContact C-N 3.34Å; T3-I5 PolarHBondContact O-N 3.46Å; I5-V8 PolarHBondContact O-N 3.27Å; I5-R9 HydrophobicContact CG2-CG 4.21Å; I5-R9 VanDerWaalsContact O-CG 3.24Å; I5-R9 WeakPolarHBondContact O-CG 3.4Å; I5-R9 PolarHBondContact O-N 3.02Å; I5-D31 HydrophobicContact CD1-CB 3.96Å; I5-L37 HydrophobicContact CG1-CD2 4.08Å; I5-W40 HydrophobicContact CG2-CD2 3.89Å; I5-W40 HydrophobicContact CG2-CG 3.95Å; I5-W40 HydrophobicContact CG2-CZ2 4.49Å |
| 6 | A | 97.3 | Very high | 95.5 | Very high | 38 Ų | 38 | 65 Ų | 65 | 31% | 0.314 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E2 T3 I4 V8 R9 E10 | E2-A6 PolarHBondContact O-N 3.2Å; T3-A6 WeakPolarHBondContact O-CB 3.39Å; T3-A6 PolarHBondContact O-N 2.98Å; I4-A6 VanDerWaalsContact C-N 3.31Å; I4-A6 PolarHBondContact O-N 3.34Å; A6-V8 VanDerWaalsContact C-N 3.32Å; A6-V8 PolarHBondContact O-N 3.17Å; A6-R9 PolarHBondContact O-N 3.47Å; A6-E10 WeakPolarHBondContact O-CB 3.37Å; A6-E10 WeakPolarHBondContact O-CG 3.37Å; A6-E10 PolarHBondContact O-N 2.84Å |
| 7 | H | 97.9 | Very high | 95.5 | Very high | 47 Ų | 47 | 67.2 Ų | 67.2 | 22% | 0.218 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 175.6 | -70.6 | -57.7 | 0 | 0 | 0 | 113.2 | T3 I4 G11 N12 E15 V16 | T3-H7 PolarHBondContact O-CD2 3.13Å; T3-H7 PolarHBondContact O-N 3.04Å; T3-H7 VanDerWaalsContact O-N 3.09Å; I4-H7 HydrophobicContact CD1-CB 4.43Å; I4-H7 PolarHBondContact O-N 3.35Å; H7-G11 PolarHBondContact O-N 3.21Å; H7-G11 VanDerWaalsContact O-N 3.14Å; H7-N12 HydrophobicContact CB-CB 3.95Å; H7-N12 PolarHBondContact ND1-ND2 3.18Å; H7-N12 VanDerWaalsContact ND1-ND2 3.18Å; H7-N12 WeakPolarHBondContact O-CB 3.44Å; H7-N12 PolarHBondContact O-N 3.02Å; H7-E15 HydrophobicContact CB-CB 4.12Å; H7-V16 HydrophobicContact CB-CG2 4.24Å |
| 8 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 174.8 | 165.2 | 0 | 0 | 0 | 0 | 110.9 | I4 I5 A6 E10 G11 V16 L37 W40 A41 Q46 I49 | I4-V8 HydrophobicContact CD1-CG2 4.49Å; I4-V8 WeakPolarHBondContact O-CG2 3.05Å; I4-V8 PolarHBondContact O-N 3Å; I5-V8 PolarHBondContact O-N 3.27Å; A6-V8 VanDerWaalsContact C-N 3.32Å; A6-V8 PolarHBondContact O-N 3.17Å; V8-E10 VanDerWaalsContact C-N 3.33Å; V8-E10 PolarHBondContact O-N 2.92Å; V8-G11 PolarHBondContact O-N 3.03Å; V8-V16 HydrophobicContact CG2-CG1 4.24Å; V8-V16 HydrophobicContact CG2-CG2 3.58Å; V8-L37 HydrophobicContact CG2-CB 4.4Å; V8-L37 HydrophobicContact CG2-CD2 3.9Å; V8-W40 HydrophobicContact CG1-CB 3.89Å; V8-A41 HydrophobicContact CG1-CB 3.73Å; V8-Q46 WeakPolarHBondContact O-CG 3.35Å; V8-I49 HydrophobicContact CG1-CG2 4.23Å; V8-I49 HydrophobicContact CG2-CG2 4.15Å |
| 9 | R | 97.3 | Very high | 95.4 | Very high | 114 Ų | 114 | 67.2 Ų | 67.2 | 43% | 0.43 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.2 | -39.4 | -178.2 | -68.1 | 173.1 | 67.1 | -161.6 | -7.1 | 112.3 | I5 A6 G11 W40 E44 Q46 | I5-R9 HydrophobicContact CG2-CG 4.21Å; I5-R9 VanDerWaalsContact O-CG 3.24Å; I5-R9 WeakPolarHBondContact O-CG 3.4Å; I5-R9 PolarHBondContact O-N 3.02Å; A6-R9 PolarHBondContact O-N 3.47Å; R9-G11 VanDerWaalsContact C-N 3.29Å; R9-G11 PolarHBondContact O-N 3.24Å; R9-W40 HydrophobicContact CG-CB 4.43Å; R9-W40 HydrophobicContact CG-CD2 4.46Å; R9-W40 HydrophobicContact CG-CE3 3.95Å; R9-E44 HydrophobicContact CB-CG 4Å; R9-E44 HydrophobicContact CG-CG 3.9Å; R9-E44 IonicContact NE-OE1 3.27Å; R9-E44 PolarHBondContact NE-OE1 3.48Å; R9-E44 IonicContact NH2-OE1 3.91Å; R9-Q46 PolarHBondContact O-NE2 3.32Å; R9-Q46 VanDerWaalsContact O-NE2 3.08Å |
| 10 | E | 97.3 | Very high | 95.2 | Very high | 133 Ų | 133 | 63.8 Ų | 63.8 | 62% | 0.621 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -76.4 | -11.5 | 178.7 | -69.9 | 173.3 | -172.2 | 0 | 0 | 114 | A6 V8 N12 | A6-E10 WeakPolarHBondContact O-CB 3.37Å; A6-E10 WeakPolarHBondContact O-CG 3.37Å; A6-E10 PolarHBondContact O-N 2.84Å; V8-E10 VanDerWaalsContact C-N 3.33Å; V8-E10 PolarHBondContact O-N 2.92Å; E10-N12 WeakPolarHBondContact CB-ND2 3.48Å; E10-N12 PolarHBondContact OE2-ND2 3.45Å |
| 11 | G | 97.5 | Very high | 95 | Very high | 23 Ų | 23 | 64.5 Ų | 64.5 | 24% | 0.237 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 19.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H7 V8 R9 L13 Q46 | H7-G11 PolarHBondContact O-N 3.21Å; H7-G11 VanDerWaalsContact O-N 3.14Å; V8-G11 PolarHBondContact O-N 3.03Å; R9-G11 VanDerWaalsContact C-N 3.29Å; R9-G11 PolarHBondContact O-N 3.24Å; G11-L13 PolarHBondContact O-N 3.31Å; G11-Q46 VanDerWaalsContact CA-NE2 3.34Å |
| 12 | N | 97.9 | Very high | 95.2 | Very high | 59 Ų | 59 | 65.4 Ų | 65.4 | 32% | 0.316 | 33% | 0.328 | S | S | . | . | trans | -74.9 | 70.4 | -178.2 | -66.5 | -38.5 | 0 | 0 | 0 | 111.5 | H7 E10 H14 E15 V16 | H7-N12 HydrophobicContact CB-CB 3.95Å; H7-N12 PolarHBondContact ND1-ND2 3.18Å; H7-N12 VanDerWaalsContact ND1-ND2 3.18Å; H7-N12 WeakPolarHBondContact O-CB 3.44Å; H7-N12 PolarHBondContact O-N 3.02Å; E10-N12 WeakPolarHBondContact CB-ND2 3.48Å; E10-N12 PolarHBondContact OE2-ND2 3.45Å; N12-H14 PolarHBondContact O-N 3.43Å; N12-H14 VanDerWaalsContact O-N 3.15Å; N12-E15 HydrophobicContact CB-CB 4.22Å; N12-E15 HydrophobicContact CB-CG 4.24Å; N12-E15 PolarHBondContact O-N 3.05Å; N12-E15 VanDerWaalsContact O-N 3.14Å; N12-V16 WeakPolarHBondContact O-CG2 3.5Å; N12-V16 PolarHBondContact O-N 3.49Å; N12-V16 VanDerWaalsContact O-N 3.08Å | ||
| 13 | L | 97.5 | Very high | 95 | Very high | 72 Ų | 72 | 58.9 Ų | 58.9 | 38% | 0.377 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -53.3 | -37.6 | -174.8 | -178.9 | 65.7 | 0 | 0 | 0 | 113.7 | G11 V16 K17 N48 I49 L52 | G11-L13 PolarHBondContact O-N 3.31Å; L13-V16 PolarHBondContact O-N 3.12Å; L13-K17 WeakPolarHBondContact O-CB 3.5Å; L13-K17 PolarHBondContact O-N 3.08Å; L13-N48 HydrophobicContact CD1-CB 4.45Å; L13-N48 HydrophobicContact CD2-CB 4.19Å; L13-I49 HydrophobicContact CB-CG1 4.37Å; L13-I49 HydrophobicContact CD1-CG1 3.85Å; L13-L52 HydrophobicContact CD1-CB 4.24Å; L13-L52 HydrophobicContact CD1-CD2 3.7Å |
| 14 | H | 97.1 | Very high | 94.5 | Very high | 124 Ų | 124 | 57.4 Ų | 57.4 | 57% | 0.574 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64 | -48.8 | 179.4 | -176.1 | 65.1 | 0 | 0 | 0 | 111.9 | N12 V16 K17 L18 | N12-H14 PolarHBondContact O-N 3.43Å; N12-H14 VanDerWaalsContact O-N 3.15Å; H14-V16 VanDerWaalsContact C-N 3.31Å; H14-V16 PolarHBondContact O-N 3.45Å; H14-K17 WeakPolarHBondContact O-CB 3.45Å; H14-K17 PolarHBondContact O-N 3.08Å; H14-L18 WeakPolarHBondContact NE2-CD1 3.34Å; H14-L18 WeakPolarHBondContact O-CG 3.42Å; H14-L18 PolarHBondContact O-N 2.93Å |
| 15 | E | 97.5 | Very high | 94.2 | Very high | 80 Ų | 80 | 58.7 Ų | 58.7 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 178.4 | -61.7 | -55.5 | 137.1 | 0 | 0 | 111.5 | H7 N12 K17 L18 W19 | H7-E15 HydrophobicContact CB-CB 4.12Å; N12-E15 HydrophobicContact CB-CB 4.22Å; N12-E15 HydrophobicContact CB-CG 4.24Å; N12-E15 PolarHBondContact O-N 3.05Å; N12-E15 VanDerWaalsContact O-N 3.14Å; E15-K17 VanDerWaalsContact C-N 3.34Å; E15-K17 PolarHBondContact O-N 2.85Å; E15-L18 PolarHBondContact O-N 3.47Å; E15-W19 WeakPolarHBondContact O-CB 3.34Å; E15-W19 PolarHBondContact O-N 3.01Å |
| 16 | V | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 174.7 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | I4 H7 V8 N12 L13 H14 W19 L20 I49 L52 L53 | I4-V16 HydrophobicContact CD1-CB 4.26Å; I4-V16 HydrophobicContact CD1-CG1 4.41Å; I4-V16 HydrophobicContact CD1-CG2 3.9Å; H7-V16 HydrophobicContact CB-CG2 4.24Å; V8-V16 HydrophobicContact CG2-CG1 4.24Å; V8-V16 HydrophobicContact CG2-CG2 3.58Å; N12-V16 WeakPolarHBondContact O-CG2 3.5Å; N12-V16 PolarHBondContact O-N 3.49Å; N12-V16 VanDerWaalsContact O-N 3.08Å; L13-V16 PolarHBondContact O-N 3.12Å; H14-V16 VanDerWaalsContact C-N 3.31Å; H14-V16 PolarHBondContact O-N 3.45Å; V16-W19 PolarHBondContact O-N 3.26Å; V16-L20 HydrophobicContact CG1-CD1 3.88Å; V16-L20 HydrophobicContact CG1-CG 4.45Å; V16-L20 WeakPolarHBondContact O-CB 3.39Å; V16-L20 VanDerWaalsContact O-CG 3.28Å; V16-L20 WeakPolarHBondContact O-CG 3.34Å; V16-L20 PolarHBondContact O-N 3.35Å; V16-I49 HydrophobicContact CG1-CG2 4.22Å; V16-I49 HydrophobicContact CG2-CD1 4.07Å; V16-L52 HydrophobicContact CG1-CD2 4.16Å; V16-L53 HydrophobicContact CG1-CD2 4.49Å |
| 17 | K | 95.4 | Very high | 93.2 | Very high | 103 Ų | 103 | 56.8 Ų | 56.8 | 45% | 0.448 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 175.2 | -175.8 | 178.8 | 175.2 | -177.4 | 0 | 111.5 | L13 H14 E15 W19 L20 D21 L52 | L13-K17 WeakPolarHBondContact O-CB 3.5Å; L13-K17 PolarHBondContact O-N 3.08Å; H14-K17 WeakPolarHBondContact O-CB 3.45Å; H14-K17 PolarHBondContact O-N 3.08Å; E15-K17 VanDerWaalsContact C-N 3.34Å; E15-K17 PolarHBondContact O-N 2.85Å; K17-W19 VanDerWaalsContact C-N 3.3Å; K17-W19 PolarHBondContact O-N 3.48Å; K17-L20 CarbonylContact O-C 3.58Å; K17-L20 PolarHBondContact O-N 3.04Å; K17-L20 VanDerWaalsContact O-N 3.14Å; K17-D21 PolarHBondContact O-N 3.46Å; K17-L52 HydrophobicContact CB-CD2 4.01Å |
| 18 | L | 94.6 | Very high | 92.7 | Very high | 83 Ų | 83 | 55.3 Ų | 55.3 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.6 | -42.7 | 177 | -72.3 | 177.6 | 0 | 0 | 0 | 111.8 | H14 E15 D21 | H14-L18 WeakPolarHBondContact NE2-CD1 3.34Å; H14-L18 WeakPolarHBondContact O-CG 3.42Å; H14-L18 PolarHBondContact O-N 2.93Å; E15-L18 PolarHBondContact O-N 3.47Å; L18-D21 PolarHBondContact O-N 2.91Å |
| 19 | W | 94.6 | Very high | 92 | Very high | 50 Ų | 50 | 56 Ų | 56 | 19% | 0.189 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 175.2 | -174.4 | 83.7 | 0 | 0 | 0 | 111.6 | I4 E15 V16 K17 D21 D22 N25 L37 | I4-W19 HydrophobicContact CB-CD2 4.2Å; I4-W19 HydrophobicContact CB-CG 4.14Å; I4-W19 HydrophobicContact CD1-CB 3.62Å; I4-W19 HydrophobicContact CD1-CD2 3.98Å; I4-W19 HydrophobicContact CD1-CE3 4.29Å; I4-W19 HydrophobicContact CD1-CG 3.67Å; I4-W19 HydrophobicContact CG1-CB 4.28Å; I4-W19 HydrophobicContact CG1-CD2 3.64Å; I4-W19 HydrophobicContact CG1-CE3 3.96Å; I4-W19 HydrophobicContact CG1-CG 3.77Å; I4-W19 HydrophobicContact CG2-CD2 4.44Å; I4-W19 HydrophobicContact CG2-CZ2 4.2Å; E15-W19 WeakPolarHBondContact O-CB 3.34Å; E15-W19 PolarHBondContact O-N 3.01Å; V16-W19 PolarHBondContact O-N 3.26Å; K17-W19 VanDerWaalsContact C-N 3.3Å; K17-W19 PolarHBondContact O-N 3.48Å; W19-D21 VanDerWaalsContact C-N 3.25Å; W19-D21 PolarHBondContact O-N 3.33Å; W19-D22 PolarHBondContact O-N 3.09Å; W19-N25 HydrophobicContact CD2-CB 3.97Å; W19-N25 HydrophobicContact CE3-CB 3.99Å; W19-N25 HydrophobicContact CH2-CB 3.59Å; W19-N25 HydrophobicContact CZ2-CB 3.54Å; W19-N25 VanDerWaalsContact CZ2-CG 3.44Å; W19-N25 WeakPolarHBondContact CZ2-OD1 3.23Å; W19-N25 HydrophobicContact CZ3-CB 3.81Å; W19-N25 PolarHBondContact NE1-ND2 3.17Å; W19-N25 PolarHBondContact NE1-OD1 3.25Å; W19-N25 PolarHBondContact O-ND2 2.97Å; W19-L37 HydrophobicContact CE3-CD1 4.06Å; W19-L37 HydrophobicContact CH2-CD1 4.09Å; W19-L37 HydrophobicContact CZ3-CD1 3.57Å |
| 20 | L | 91.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.9 | -14.8 | 177.9 | -69.5 | 168.4 | 0 | 0 | 0 | 113.7 | V16 K17 D22 V27 L52 L53 R56 N249 | V16-L20 HydrophobicContact CG1-CD1 3.88Å; V16-L20 HydrophobicContact CG1-CG 4.45Å; V16-L20 WeakPolarHBondContact O-CB 3.39Å; V16-L20 VanDerWaalsContact O-CG 3.28Å; V16-L20 WeakPolarHBondContact O-CG 3.34Å; V16-L20 PolarHBondContact O-N 3.35Å; K17-L20 CarbonylContact O-C 3.58Å; K17-L20 PolarHBondContact O-N 3.04Å; K17-L20 VanDerWaalsContact O-N 3.14Å; L20-D22 VanDerWaalsContact C-N 3.27Å; L20-V27 HydrophobicContact CD2-CB 3.98Å; L20-V27 HydrophobicContact CD2-CG2 3.89Å; L20-L52 HydrophobicContact CD1-CD2 3.98Å; L20-L52 HydrophobicContact CD1-CG 3.89Å; L20-L53 HydrophobicContact CD1-CD2 3.97Å; L20-L53 HydrophobicContact CD2-CD2 4.5Å; L20-R56 VanDerWaalsContact CB-NH1 3.34Å; L20-R56 HydrophobicContact CD1-CB 4.35Å; L20-R56 HydrophobicContact CD1-CG 4.04Å; L20-R56 PolarHBondContact O-NH1 3.18Å; L20-N249 PolarHBondContact O-ND2 2.7Å |
| 21 | D | 90.1 | Very high | 91.2 | Very high | 79 Ų | 79 | 46 Ų | 46 | 42% | 0.422 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -76.5 | -17.6 | 177.5 | -70.3 | -16.6 | 0 | 0 | 0 | 111.8 | K17 L18 W19 I23 R56 | K17-D21 PolarHBondContact O-N 3.46Å; L18-D21 PolarHBondContact O-N 2.91Å; W19-D21 VanDerWaalsContact C-N 3.25Å; W19-D21 PolarHBondContact O-N 3.33Å; D21-I23 PolarHBondContact O-N 3.23Å; D21-R56 IonicContact OD1-CZ 2.81Å; D21-R56 VanDerWaalsContact OD1-CZ 3.31Å; D21-R56 IonicContact OD1-NH1 3.03Å; D21-R56 PolarHBondContact OD1-NH1 2.9Å; D21-R56 IonicContact OD1-NH2 2.72Å; D21-R56 PolarHBondContact OD1-NH2 3.37Å |
| 22 | D | 88.3 | Confident | 90.7 | Very high | 77 Ų | 77 | 52.4 Ų | 52.4 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -76.6 | 117.5 | 164.1 | -175.3 | -12.5 | 0 | 0 | 0 | 110 | W19 L20 E24 N25 | W19-D22 PolarHBondContact O-N 3.09Å; L20-D22 VanDerWaalsContact C-N 3.27Å; D22-E24 PolarHBondContact O-N 3.42Å; D22-E24 PolarHBondContact OD1-N 2.79Å; D22-N25 WeakPolarHBondContact CB-ND2 3.21Å; D22-N25 WeakPolarHBondContact O-CB 3.48Å; D22-N25 PolarHBondContact O-N 3.03Å |
| 23 | I | 83.7 | Confident | 90.3 | Very high | 32 Ų | 32 | 54.4 Ų | 54.4 | 16% | 0.164 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -24.9 | -176.9 | 61.1 | 170.1 | 0 | 0 | 0 | 113.6 | D21 N25 R246 I247 F248 N249 F314 L320 | D21-I23 PolarHBondContact O-N 3.23Å; I23-N25 VanDerWaalsContact C-N 3.25Å; I23-N25 PolarHBondContact O-N 3.25Å; I23-R246 CarbonylContact C-O 3.59Å; I23-I247 HydrophobicContact CB-CG1 4.25Å; I23-I247 HydrophobicContact CD1-CG1 3.96Å; I23-F248 PolarHBondContact O-N 3.44Å; I23-N249 WeakPolarHBondContact CA-ND2 3.5Å; I23-F314 HydrophobicContact CG2-CZ 4.34Å; I23-L320 HydrophobicContact CD1-CD1 3.83Å; I23-L320 HydrophobicContact CG2-CD1 4.21Å; I23-L320 HydrophobicContact CG2-CD2 4.35Å |
| 24 | E | 83.1 | Confident | 89.8 | Confident | 70 Ų | 70 | 54.9 Ų | 54.9 | 33% | 0.327 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -16.4 | -178.5 | -62.4 | -164.6 | 163.9 | 0 | 0 | 112.4 | D22 D26 L186 R246 | D22-E24 PolarHBondContact O-N 3.42Å; D22-E24 PolarHBondContact OD1-N 2.79Å; E24-D26 PolarHBondContact O-N 3.5Å; E24-L186 WeakPolarHBondContact OE2-CD1 3.4Å; E24-R246 HydrophobicContact CG-CB 4.36Å |
| 25 | N | 88 | Confident | 89.6 | Confident | 33 Ų | 33 | 50.7 Ų | 50.7 | 18% | 0.176 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -76.6 | 114.8 | 177.8 | -77.5 | -32.3 | 0 | 0 | 0 | 110.9 | W19 D22 I23 V27 | W19-N25 HydrophobicContact CD2-CB 3.97Å; W19-N25 HydrophobicContact CE3-CB 3.99Å; W19-N25 HydrophobicContact CH2-CB 3.59Å; W19-N25 HydrophobicContact CZ2-CB 3.54Å; W19-N25 VanDerWaalsContact CZ2-CG 3.44Å; W19-N25 WeakPolarHBondContact CZ2-OD1 3.23Å; W19-N25 HydrophobicContact CZ3-CB 3.81Å; W19-N25 PolarHBondContact NE1-ND2 3.17Å; W19-N25 PolarHBondContact NE1-OD1 3.25Å; W19-N25 PolarHBondContact O-ND2 2.97Å; D22-N25 WeakPolarHBondContact CB-ND2 3.21Å; D22-N25 WeakPolarHBondContact O-CB 3.48Å; D22-N25 PolarHBondContact O-N 3.03Å; I23-N25 VanDerWaalsContact C-N 3.25Å; I23-N25 PolarHBondContact O-N 3.25Å; N25-V27 PolarHBondContact O-N 2.86Å |
| 26 | D | 85.1 | Confident | 89.3 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.064 | 22% | 0.224 | C | C | . | . | trans | -81.7 | 112.7 | 177.3 | -173.6 | -4.1 | 0 | 0 | 0 | 111 | E24 N28 Q29 F248 | E24-D26 PolarHBondContact O-N 3.5Å; D26-N28 PolarHBondContact O-N 3.11Å; D26-N28 VanDerWaalsContact O-N 3.14Å; D26-N28 WeakPolarHBondContact OD1-CA 3.31Å; D26-N28 WeakPolarHBondContact OD1-CB 3.23Å; D26-N28 PolarHBondContact OD1-N 3.36Å; D26-Q29 HydrophobicContact CB-CB 4.43Å; D26-Q29 WeakPolarHBondContact O-CB 3.32Å; D26-Q29 PolarHBondContact O-N 3.07Å; D26-Q29 VanDerWaalsContact O-N 3.07Å; D26-F248 HydrophobicContact CB-CB 3.72Å; D26-F248 HydrophobicContact CB-CD1 4.26Å; D26-F248 HydrophobicContact CB-CG 4.09Å | ||
| 27 | V | 88.1 | Confident | 89.2 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -24.7 | 176.2 | 70.3 | 0 | 0 | 0 | 0 | 112.9 | L20 N25 L53 R56 A58 | L20-V27 HydrophobicContact CD2-CB 3.98Å; L20-V27 HydrophobicContact CD2-CG2 3.89Å; N25-V27 PolarHBondContact O-N 2.86Å; V27-L53 HydrophobicContact CG2-CB 4.34Å; V27-L53 HydrophobicContact CG2-CD2 3.62Å; V27-R56 WeakPolarHBondContact CG1-O 3.44Å; V27-R56 HydrophobicContact CG2-CB 4.41Å; V27-A58 HydrophobicContact CG2-CB 3.97Å |
| 28 | N | 86.6 | Confident | 89.2 | Confident | 17 Ų | 17 | 42 Ų | 42 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 2 | -178.4 | -65.8 | -64.5 | 0 | 0 | 0 | 113.7 | D26 G30 G57 A58 R59 R179 | D26-N28 PolarHBondContact O-N 3.11Å; D26-N28 VanDerWaalsContact O-N 3.14Å; D26-N28 WeakPolarHBondContact OD1-CA 3.31Å; D26-N28 WeakPolarHBondContact OD1-CB 3.23Å; D26-N28 PolarHBondContact OD1-N 3.36Å; N28-G30 PolarHBondContact O-N 3.37Å; N28-G57 PolarHBondContact ND2-O 3.26Å; N28-A58 WeakPolarHBondContact OD1-CA 3.18Å; N28-R59 WeakPolarHBondContact OD1-CB 3.45Å; N28-R59 VanDerWaalsContact OD1-CG 3.29Å; N28-R59 WeakPolarHBondContact OD1-CG 3.43Å; N28-R59 PolarHBondContact OD1-N 2.94Å; N28-R179 PolarHBondContact O-N 3.33Å; N28-R179 VanDerWaalsContact O-N 3.16Å |
| 29 | Q | 84.3 | Confident | 89.3 | Confident | 14 Ų | 14 | 38.1 Ų | 38.1 | 7% | 0.065 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -54.9 | 124.1 | 172.6 | 173 | 157.1 | 4.1 | 0 | 0 | 111.2 | M1 D26 S36 R179 A181 | M1-Q29 HydrophobicContact CE-CG 4.27Å; M1-Q29 HydrophobicContact CG-CG 4.34Å; M1-Q29 HydrophobicContact SD-CB 4.47Å; M1-Q29 HydrophobicContact SD-CG 3.62Å; M1-Q29 PolarHBondContact SD-NE2 2.9Å; M1-Q29 VanDerWaalsContact SD-NE2 3.44Å; D26-Q29 HydrophobicContact CB-CB 4.43Å; D26-Q29 WeakPolarHBondContact O-CB 3.32Å; D26-Q29 PolarHBondContact O-N 3.07Å; D26-Q29 VanDerWaalsContact O-N 3.07Å; Q29-S36 WeakPolarHBondContact O-CA 3.19Å; Q29-R179 WeakPolarHBondContact CA-O 3.46Å; Q29-A181 HydrophobicContact CB-CB 3.45Å; Q29-A181 VanDerWaalsContact CB-CB 3.45Å; Q29-A181 HydrophobicContact CG-CB 3.1Å; Q29-A181 VanDerWaalsContact NE2-CB 3.32Å |
| 30 | G | 86.7 | Confident | 89.4 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 5% | 0.052 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -89.3 | 159.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N28 F35 R179 | N28-G30 PolarHBondContact O-N 3.37Å; G30-F35 CarbonylContact C-O 3.36Å; G30-F35 VanDerWaalsContact CA-O 3.31Å; G30-F35 WeakPolarHBondContact CA-O 3.47Å; G30-R179 PolarHBondContact N-O 3.13Å |
| 31 | D | 89.9 | Confident | 89.7 | Confident | 32 Ų | 32 | 37.6 Ų | 37.6 | 17% | 0.171 | 18% | 0.18 | C | C | . | . | trans | -78.3 | -170.1 | 160.6 | 64.6 | 18.7 | 0 | 0 | 0 | 112.3 | I5 H33 R34 F35 W40 | I5-D31 HydrophobicContact CD1-CB 3.96Å; D31-H33 PolarHBondContact O-N 3.17Å; D31-H33 VanDerWaalsContact O-N 3.17Å; D31-H33 WeakPolarHBondContact OD1-CA 3.46Å; D31-H33 PolarHBondContact OD1-N 3.38Å; D31-R34 WeakPolarHBondContact O-CA 3.5Å; D31-R34 PolarHBondContact O-N 3.31Å; D31-R34 PolarHBondContact OD1-N 3.08Å; D31-R34 VanDerWaalsContact OD1-N 3.1Å; D31-F35 PolarHBondContact N-O 3.45Å; D31-F35 PolarHBondContact OD1-N 2.95Å; D31-F35 WeakPolarHBondContact OD2-CB 3.43Å; D31-W40 WeakPolarHBondContact OD2-CZ2 3.29Å; D31-W40 PolarHBondContact OD2-NE1 2.94Å | ||
| 32 | E | 87.7 | Confident | 90.1 | Very high | 157 Ų | 157 | 33.8 Ų | 33.8 | 73% | 0.734 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.2 | 179.5 | 64.8 | -175.7 | 172.7 | 0 | 0 | 114.2 | M65 | E32-M65 WeakPolarHBondContact O-CE 3.47Š|
| 33 | H | 88.7 | Confident | 90.6 | Very high | 102 Ų | 102 | 33.6 Ų | 33.6 | 47% | 0.472 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 11 | 174.2 | -60.9 | -52.5 | 0 | 0 | 0 | 112.6 | D31 F35 M65 | D31-H33 PolarHBondContact O-N 3.17Å; D31-H33 VanDerWaalsContact O-N 3.17Å; D31-H33 WeakPolarHBondContact OD1-CA 3.46Å; D31-H33 PolarHBondContact OD1-N 3.38Å; H33-F35 HydrophobicContact CB-CD2 4Å; H33-F35 HydrophobicContact CB-CE2 4.44Å; H33-F35 PolarHBondContact O-N 3.39Å; H33-M65 WeakPolarHBondContact O-CG 3.41Å; H33-M65 PolarHBondContact O-N 3.31Å |
| 34 | R | 87.6 | Confident | 91.3 | Very high | 82 Ų | 82 | 34.9 Ų | 34.9 | 31% | 0.309 | 16% | 0.159 | S | C | . | . | trans | 60.7 | 22.6 | -176.3 | -54.7 | -176 | -178.7 | -139.5 | 1.7 | 114 | D31 S36 M65 A178 | D31-R34 WeakPolarHBondContact O-CA 3.5Å; D31-R34 PolarHBondContact O-N 3.31Å; D31-R34 PolarHBondContact OD1-N 3.08Å; D31-R34 VanDerWaalsContact OD1-N 3.1Å; R34-S36 PolarHBondContact O-N 3.41Å; R34-M65 HydrophobicContact CB-CG 4.37Å; R34-M65 HydrophobicContact CG-CE 4.39Å; R34-M65 HydrophobicContact CG-CG 4Å; R34-A178 HydrophobicContact CB-CB 4.34Å; R34-A178 WeakPolarHBondContact O-CB 3.24Å | ||
| 35 | F | 92.5 | Very high | 92 | Very high | 35 Ų | 35 | 32.2 Ų | 32.2 | 15% | 0.154 | 15% | 0.15 | C | C | . | . | trans | -72.6 | 115.1 | 167.1 | -83.3 | -116.6 | 0 | 0 | 0 | 108.7 | G30 D31 H33 H39 W40 N64 L73 | G30-F35 CarbonylContact C-O 3.36Å; G30-F35 VanDerWaalsContact CA-O 3.31Å; G30-F35 WeakPolarHBondContact CA-O 3.47Å; D31-F35 PolarHBondContact N-O 3.45Å; D31-F35 PolarHBondContact OD1-N 2.95Å; D31-F35 WeakPolarHBondContact OD2-CB 3.43Å; H33-F35 HydrophobicContact CB-CD2 4Å; H33-F35 HydrophobicContact CB-CE2 4.44Å; H33-F35 PolarHBondContact O-N 3.39Å; F35-H39 HydrophobicContact CB-CB 4.11Å; F35-H39 HydrophobicContact CD1-CB 3.55Å; F35-H39 HydrophobicContact CE1-CB 4.32Å; F35-H39 HydrophobicContact CG-CB 4.1Å; F35-W40 HydrophobicContact CB-CZ2 4.22Å; F35-W40 VanDerWaalsContact CB-NE1 3.32Å; F35-W40 HydrophobicContact CD1-CD2 4.38Å; F35-W40 HydrophobicContact CD1-CZ2 4.39Å; F35-W40 HydrophobicContact CG-CZ2 4.35Å; F35-N64 HydrophobicContact CD2-CB 3.67Å; F35-N64 HydrophobicContact CE2-CB 3.77Å; F35-N64 WeakPolarHBondContact CE2-ND2 3.27Å; F35-N64 HydrophobicContact CG-CB 4.27Å; F35-N64 HydrophobicContact CZ-CB 4.44Å; F35-N64 WeakPolarHBondContact CZ-ND2 3.5Å; F35-L73 HydrophobicContact CD1-CD1 3.95Å; F35-L73 HydrophobicContact CE1-CD1 3.44Å; F35-L73 VanDerWaalsContact CE1-CD1 3.44Å; F35-L73 HydrophobicContact CE1-CD2 4.01Å; F35-L73 HydrophobicContact CE1-CG 4.39Å; F35-L73 HydrophobicContact CZ-CD1 4.31Å; F35-L73 HydrophobicContact CZ-CD2 4.27Å | ||
| 36 | S | 92.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -73.7 | 166.9 | 169.2 | 72.1 | 0 | 0 | 0 | 0 | 111.6 | Q29 R34 L38 H39 W40 | Q29-S36 WeakPolarHBondContact O-CA 3.19Å; R34-S36 PolarHBondContact O-N 3.41Å; S36-L38 PolarHBondContact O-N 3.45Å; S36-L38 VanDerWaalsContact O-N 3.16Å; S36-L38 PolarHBondContact OG-N 3.35Å; S36-H39 PolarHBondContact N-ND1 2.96Å; S36-H39 VanDerWaalsContact N-ND1 3.13Å; S36-H39 WeakPolarHBondContact O-CB 3.44Å; S36-H39 PolarHBondContact O-N 3.46Å; S36-H39 PolarHBondContact OG-N 3.42Å; S36-H39 PolarHBondContact OG-ND1 3.31Å; S36-W40 PolarHBondContact O-N 2.82Å; S36-W40 VanDerWaalsContact O-N 3.15Å |
| 37 | L | 95 | Very high | 93 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.3 | -33.7 | 171.8 | -65.8 | -176.3 | 0 | 0 | 0 | 112.2 | M1 I4 I5 V8 W19 W40 A41 L53 | M1-L37 HydrophobicContact CE-CD1 4.44Å; M1-L37 HydrophobicContact CE-CD2 3.26Å; M1-L37 HydrophobicContact CE-CG 3.8Å; I4-L37 HydrophobicContact CG1-CD1 3.97Å; I4-L37 HydrophobicContact CG1-CD2 4.1Å; I4-L37 HydrophobicContact CG2-CD2 4.36Å; I5-L37 HydrophobicContact CG1-CD2 4.08Å; V8-L37 HydrophobicContact CG2-CB 4.4Å; V8-L37 HydrophobicContact CG2-CD2 3.9Å; W19-L37 HydrophobicContact CE3-CD1 4.06Å; W19-L37 HydrophobicContact CH2-CD1 4.09Å; W19-L37 HydrophobicContact CZ3-CD1 3.57Å; L37-W40 PolarHBondContact O-N 2.94Å; L37-A41 VanDerWaalsContact O-CB 3.31Å; L37-A41 WeakPolarHBondContact O-CB 3.37Å; L37-A41 PolarHBondContact O-N 2.86Å; L37-L53 HydrophobicContact CB-CD1 3.8Å; L37-L53 HydrophobicContact CB-CD2 3.8Å; L37-L53 HydrophobicContact CB-CG 4.49Å; L37-L53 HydrophobicContact CD1-CD2 3.98Å; L37-L53 WeakPolarHBondContact O-CD1 3.49Å |
| 38 | L | 94.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.5 | -37.6 | 177 | -175.5 | 64.4 | 0 | 0 | 0 | 111.9 | S36 A42 V50 L53 V54 A58 A70 | S36-L38 PolarHBondContact O-N 3.45Å; S36-L38 VanDerWaalsContact O-N 3.16Å; S36-L38 PolarHBondContact OG-N 3.35Å; L38-A42 WeakPolarHBondContact O-CB 3.24Å; L38-A42 PolarHBondContact O-N 3.13Å; L38-V50 HydrophobicContact CD1-CB 4.32Å; L38-V50 HydrophobicContact CD1-CG1 3.86Å; L38-V50 HydrophobicContact CD1-CG2 4.28Å; L38-L53 HydrophobicContact CB-CD1 4.41Å; L38-L53 HydrophobicContact CD1-CB 4.46Å; L38-V54 HydrophobicContact CD1-CG2 4.07Å; L38-V54 HydrophobicContact CD2-CG2 4.48Å; L38-A58 HydrophobicContact CB-CB 4.25Å; L38-A58 HydrophobicContact CD2-CB 4.19Å; L38-A70 HydrophobicContact CD2-CB 4.1Å; L38-A70 HydrophobicContact CG-CB 3.83Å |
| 39 | H | 96 | Very high | 94 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.1 | -47.8 | 174.2 | -69.3 | 92.3 | 0 | 0 | 0 | 111.1 | F35 S36 A42 R43 A62 D68 L73 | F35-H39 HydrophobicContact CB-CB 4.11Å; F35-H39 HydrophobicContact CD1-CB 3.55Å; F35-H39 HydrophobicContact CE1-CB 4.32Å; F35-H39 HydrophobicContact CG-CB 4.1Å; S36-H39 PolarHBondContact N-ND1 2.96Å; S36-H39 VanDerWaalsContact N-ND1 3.13Å; S36-H39 WeakPolarHBondContact O-CB 3.44Å; S36-H39 PolarHBondContact O-N 3.46Å; S36-H39 PolarHBondContact OG-N 3.42Å; S36-H39 PolarHBondContact OG-ND1 3.31Å; H39-A42 PolarHBondContact O-N 3.2Å; H39-R43 VanDerWaalsContact O-CB 3.24Å; H39-R43 WeakPolarHBondContact O-CB 3.24Å; H39-R43 PolarHBondContact O-N 3.31Å; H39-A62 PolarHBondContact CE1-O 3.49Å; H39-A62 PolarHBondContact NE2-O 3.13Å; H39-D68 PolarHBondContact NE2-O 3.15Å; H39-L73 HydrophobicContact CB-CD1 3.52Å; H39-L73 WeakPolarHBondContact O-CD1 3.42Å |
| 40 | W | 97.8 | Very high | 94.5 | Very high | 38 Ų | 38 | 39.1 Ų | 39.1 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.4 | -45.7 | 177.6 | -72.4 | 111.8 | 0 | 0 | 0 | 112 | I5 V8 R9 D31 F35 S36 L37 A42 R43 E44 | I5-W40 HydrophobicContact CG2-CD2 3.89Å; I5-W40 HydrophobicContact CG2-CG 3.95Å; I5-W40 HydrophobicContact CG2-CZ2 4.49Å; V8-W40 HydrophobicContact CG1-CB 3.89Å; R9-W40 HydrophobicContact CG-CB 4.43Å; R9-W40 HydrophobicContact CG-CD2 4.46Å; R9-W40 HydrophobicContact CG-CE3 3.95Å; D31-W40 WeakPolarHBondContact OD2-CZ2 3.29Å; D31-W40 PolarHBondContact OD2-NE1 2.94Å; F35-W40 HydrophobicContact CB-CZ2 4.22Å; F35-W40 VanDerWaalsContact CB-NE1 3.32Å; F35-W40 HydrophobicContact CD1-CD2 4.38Å; F35-W40 HydrophobicContact CD1-CZ2 4.39Å; F35-W40 HydrophobicContact CG-CZ2 4.35Å; S36-W40 PolarHBondContact O-N 2.82Å; S36-W40 VanDerWaalsContact O-N 3.15Å; L37-W40 PolarHBondContact O-N 2.94Å; W40-A42 VanDerWaalsContact C-N 3.33Å; W40-A42 PolarHBondContact O-N 3.38Å; W40-R43 PolarHBondContact O-N 2.9Å; W40-E44 VanDerWaalsContact O-CG 3.29Å; W40-E44 WeakPolarHBondContact O-CG 3.35Å; W40-E44 PolarHBondContact O-N 2.99Å; W40-E44 VanDerWaalsContact O-N 3.11Å |
| 41 | A | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V8 L37 G45 Q46 I49 V50 L53 | V8-A41 HydrophobicContact CG1-CB 3.73Å; L37-A41 VanDerWaalsContact O-CB 3.31Å; L37-A41 WeakPolarHBondContact O-CB 3.37Å; L37-A41 PolarHBondContact O-N 2.86Å; A41-G45 PolarHBondContact O-N 3.07Å; A41-G45 VanDerWaalsContact O-N 3.13Å; A41-Q46 HydrophobicContact CB-CB 4.38Å; A41-Q46 PolarHBondContact O-N 3.44Å; A41-I49 HydrophobicContact CB-CB 4.3Å; A41-I49 HydrophobicContact CB-CG2 3.78Å; A41-V50 HydrophobicContact CB-CG2 3.68Å; A41-L53 HydrophobicContact CB-CD1 3.9Å |
| 42 | A | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.5 | -39.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L38 H39 W40 E44 G45 A70 A74 H79 V82 | L38-A42 WeakPolarHBondContact O-CB 3.24Å; L38-A42 PolarHBondContact O-N 3.13Å; H39-A42 PolarHBondContact O-N 3.2Å; W40-A42 VanDerWaalsContact C-N 3.33Å; W40-A42 PolarHBondContact O-N 3.38Å; A42-E44 VanDerWaalsContact C-N 3.3Å; A42-E44 PolarHBondContact O-N 3.34Å; A42-G45 PolarHBondContact O-N 3.36Å; A42-A70 HydrophobicContact CB-CB 3.8Å; A42-A70 WeakPolarHBondContact CB-O 3.18Å; A42-A74 HydrophobicContact CB-CB 4.26Å; A42-A74 WeakPolarHBondContact O-CA 3.4Å; A42-H79 PolarHBondContact O-CD2 3.37Å; A42-V82 HydrophobicContact CB-CG1 3.95Å |
| 43 | R | 98.1 | Very high | 95.4 | Very high | 73 Ų | 73 | 33.1 Ų | 33.1 | 28% | 0.275 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.9 | -35.5 | 176.1 | -178.5 | 176.2 | -178.8 | -105.5 | 9.6 | 113.1 | H39 W40 L73 H77 H79 | H39-R43 VanDerWaalsContact O-CB 3.24Å; H39-R43 WeakPolarHBondContact O-CB 3.24Å; H39-R43 PolarHBondContact O-N 3.31Å; W40-R43 PolarHBondContact O-N 2.9Å; R43-L73 HydrophobicContact CB-CB 4.12Å; R43-L73 HydrophobicContact CB-CD1 4.4Å; R43-H77 PolarHBondContact NE-NE2 3.47Å; R43-H77 WeakPolarHBondContact O-CB 3.45Å; R43-H79 PolarHBondContact O-CD2 3.4Å; R43-H79 VanDerWaalsContact O-CD2 3.31Å; R43-H79 PolarHBondContact O-NE2 2.94Å |
| 44 | E | 98.3 | Very high | 95.4 | Very high | 59 Ų | 59 | 29 Ų | 29 | 28% | 0.276 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 4.6 | -177.1 | -52.7 | -71.8 | 166.9 | 0 | 0 | 112.6 | R9 W40 A42 Q46 | R9-E44 HydrophobicContact CB-CG 4Å; R9-E44 HydrophobicContact CG-CG 3.9Å; R9-E44 IonicContact NE-OE1 3.27Å; R9-E44 PolarHBondContact NE-OE1 3.48Å; R9-E44 IonicContact NH2-OE1 3.91Å; W40-E44 VanDerWaalsContact O-CG 3.29Å; W40-E44 WeakPolarHBondContact O-CG 3.35Å; W40-E44 PolarHBondContact O-N 2.99Å; W40-E44 VanDerWaalsContact O-N 3.11Å; A42-E44 VanDerWaalsContact C-N 3.3Å; A42-E44 PolarHBondContact O-N 3.34Å; E44-Q46 HydrophobicContact CB-CG 4.08Å; E44-Q46 PolarHBondContact O-N 3.44Å |
| 45 | G | 98 | Very high | 95.4 | Very high | 14 Ų | 14 | 30.2 Ų | 30.2 | 14% | 0.144 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 22.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A41 A42 R47 H79 | A41-G45 PolarHBondContact O-N 3.07Å; A41-G45 VanDerWaalsContact O-N 3.13Å; A42-G45 PolarHBondContact O-N 3.36Å; G45-R47 VanDerWaalsContact C-N 3.28Å; G45-R47 PolarHBondContact O-N 3.39Å; G45-H79 VanDerWaalsContact CA-CD2 3.41Å; G45-H79 WeakPolarHBondContact CA-CD2 3.31Å; G45-H79 WeakPolarHBondContact CA-ND1 3.31Å; G45-H79 PolarHBondContact N-CD2 2.88Å; G45-H79 PolarHBondContact N-NE2 3.16Å |
| 46 | Q | 98.2 | Very high | 95.2 | Very high | 51 Ų | 51 | 30.4 Ų | 30.4 | 24% | 0.238 | 15% | 0.146 | C | C | . | . | trans | -84.6 | 68 | -172.5 | -59.7 | -69.7 | -1.8 | 0 | 0 | 111.2 | V8 R9 G11 A41 E44 N48 I49 V50 | V8-Q46 WeakPolarHBondContact O-CG 3.35Å; R9-Q46 PolarHBondContact O-NE2 3.32Å; R9-Q46 VanDerWaalsContact O-NE2 3.08Å; G11-Q46 VanDerWaalsContact CA-NE2 3.34Å; A41-Q46 HydrophobicContact CB-CB 4.38Å; A41-Q46 PolarHBondContact O-N 3.44Å; E44-Q46 HydrophobicContact CB-CG 4.08Å; E44-Q46 PolarHBondContact O-N 3.44Å; Q46-N48 VanDerWaalsContact C-N 3.31Å; Q46-N48 PolarHBondContact O-N 2.99Å; Q46-N48 VanDerWaalsContact O-N 3.17Å; Q46-I49 HydrophobicContact CB-CB 4.03Å; Q46-I49 HydrophobicContact CB-CD1 4.09Å; Q46-I49 HydrophobicContact CB-CG1 4.34Å; Q46-I49 WeakPolarHBondContact O-CA 3.29Å; Q46-I49 WeakPolarHBondContact O-CB 3.42Å; Q46-I49 PolarHBondContact O-N 3.36Å; Q46-V50 PolarHBondContact O-N 2.98Å | ||
| 47 | R | 96.6 | Very high | 94.8 | Very high | 57 Ų | 57 | 31 Ų | 31 | 22% | 0.215 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -51.5 | -40.7 | -172.8 | 170.5 | 61.3 | -170 | 91.3 | 6.3 | 114.9 | G45 I49 V50 D51 D81 V82 Y85 | G45-R47 VanDerWaalsContact C-N 3.28Å; G45-R47 PolarHBondContact O-N 3.39Å; R47-I49 VanDerWaalsContact C-N 3.35Å; R47-V50 WeakPolarHBondContact O-CB 3.3Å; R47-V50 PolarHBondContact O-N 3.44Å; R47-D51 IonicContact CZ-OD2 3.86Å; R47-D51 VanDerWaalsContact CZ-OD2 3.32Å; R47-D51 VanDerWaalsContact NH1-CG 3.29Å; R47-D51 IonicContact NH1-OD2 3.88Å; R47-D51 PolarHBondContact NH1-OD2 3.14Å; R47-D51 IonicContact NH2-OD2 2.64Å; R47-D51 PolarHBondContact NH2-OD2 3.45Å; R47-D51 PolarHBondContact O-N 3.23Å; R47-D81 HydrophobicContact CB-CB 4.48Å; R47-D81 VanDerWaalsContact CB-OD2 3.23Å; R47-D81 WeakPolarHBondContact CB-OD2 3.3Å; R47-D81 HydrophobicContact CG-CB 4.41Å; R47-V82 HydrophobicContact CB-CG2 4.13Å; R47-Y85 VanDerWaalsContact NH2-CE2 3.33Å |
| 48 | N | 97.3 | Very high | 94.5 | Very high | 111 Ų | 111 | 31.3 Ų | 31.3 | 59% | 0.594 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -67.9 | -35.7 | 178.2 | -67.8 | -26.3 | 0 | 0 | 0 | 112.3 | L13 Q46 D51 L52 | L13-N48 HydrophobicContact CD1-CB 4.45Å; L13-N48 HydrophobicContact CD2-CB 4.19Å; Q46-N48 VanDerWaalsContact C-N 3.31Å; Q46-N48 PolarHBondContact O-N 2.99Å; Q46-N48 VanDerWaalsContact O-N 3.17Å; N48-D51 WeakPolarHBondContact O-CB 3.19Å; N48-D51 PolarHBondContact O-N 3.39Å; N48-L52 PolarHBondContact O-N 3.37Å; N48-L52 VanDerWaalsContact O-N 3.14Å |
| 49 | I | 98.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72.2 | -40.1 | 175.5 | -66.6 | 177.2 | 0 | 0 | 0 | 110 | V8 L13 V16 A41 Q46 R47 D51 L52 L53 | V8-I49 HydrophobicContact CG1-CG2 4.23Å; V8-I49 HydrophobicContact CG2-CG2 4.15Å; L13-I49 HydrophobicContact CB-CG1 4.37Å; L13-I49 HydrophobicContact CD1-CG1 3.85Å; V16-I49 HydrophobicContact CG1-CG2 4.22Å; V16-I49 HydrophobicContact CG2-CD1 4.07Å; A41-I49 HydrophobicContact CB-CB 4.3Å; A41-I49 HydrophobicContact CB-CG2 3.78Å; Q46-I49 HydrophobicContact CB-CB 4.03Å; Q46-I49 HydrophobicContact CB-CD1 4.09Å; Q46-I49 HydrophobicContact CB-CG1 4.34Å; Q46-I49 WeakPolarHBondContact O-CA 3.29Å; Q46-I49 WeakPolarHBondContact O-CB 3.42Å; Q46-I49 PolarHBondContact O-N 3.36Å; R47-I49 VanDerWaalsContact C-N 3.35Å; I49-D51 VanDerWaalsContact C-N 3.27Å; I49-D51 PolarHBondContact O-N 3.14Å; I49-L52 PolarHBondContact O-N 3.22Å; I49-L53 HydrophobicContact CG2-CD1 3.69Å; I49-L53 HydrophobicContact CG2-CG 4.01Å; I49-L53 WeakPolarHBondContact O-CB 3.47Å; I49-L53 WeakPolarHBondContact O-CG 3.45Å; I49-L53 PolarHBondContact O-N 3.3Å |
| 50 | V | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.8 | -45.2 | 171.8 | 170 | 0 | 0 | 0 | 0 | 110.7 | L38 A41 Q46 R47 V54 V82 Y85 L86 | L38-V50 HydrophobicContact CD1-CB 4.32Å; L38-V50 HydrophobicContact CD1-CG1 3.86Å; L38-V50 HydrophobicContact CD1-CG2 4.28Å; A41-V50 HydrophobicContact CB-CG2 3.68Å; Q46-V50 PolarHBondContact O-N 2.98Å; R47-V50 WeakPolarHBondContact O-CB 3.3Å; R47-V50 PolarHBondContact O-N 3.44Å; V50-V54 WeakPolarHBondContact O-CB 3.38Å; V50-V54 VanDerWaalsContact O-CG2 3.27Å; V50-V54 WeakPolarHBondContact O-CG2 3.19Å; V50-V54 PolarHBondContact O-N 2.9Å; V50-V54 VanDerWaalsContact O-N 3.09Å; V50-V82 HydrophobicContact CG1-CG1 4.41Å; V50-V82 HydrophobicContact CG2-CG1 4.1Å; V50-V82 HydrophobicContact CG2-CG2 4.24Å; V50-Y85 HydrophobicContact CG1-CD1 3.65Å; V50-Y85 HydrophobicContact CG1-CE1 3.77Å; V50-L86 HydrophobicContact CG1-CD2 4.2Å |
| 51 | D | 93.6 | Very high | 92.4 | Very high | 43 Ų | 43 | 32.8 Ų | 32.8 | 23% | 0.23 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.7 | -55.3 | 175.1 | -143.7 | -46.6 | 0 | 0 | 0 | 111.7 | R47 N48 I49 L53 V54 I55 Y85 | R47-D51 IonicContact CZ-OD2 3.86Å; R47-D51 VanDerWaalsContact CZ-OD2 3.32Å; R47-D51 VanDerWaalsContact NH1-CG 3.29Å; R47-D51 IonicContact NH1-OD2 3.88Å; R47-D51 PolarHBondContact NH1-OD2 3.14Å; R47-D51 IonicContact NH2-OD2 2.64Å; R47-D51 PolarHBondContact NH2-OD2 3.45Å; R47-D51 PolarHBondContact O-N 3.23Å; N48-D51 WeakPolarHBondContact O-CB 3.19Å; N48-D51 PolarHBondContact O-N 3.39Å; I49-D51 VanDerWaalsContact C-N 3.27Å; I49-D51 PolarHBondContact O-N 3.14Å; D51-L53 PolarHBondContact O-N 3.08Å; D51-V54 PolarHBondContact O-N 2.9Å; D51-I55 WeakPolarHBondContact O-CG1 3.49Å; D51-I55 PolarHBondContact O-N 3.17Å; D51-I55 WeakPolarHBondContact OD1-CD1 3.28Å; D51-Y85 PolarHBondContact OD1-OH 3.02Å |
| 52 | L | 94.5 | Very high | 91.6 | Very high | 26 Ų | 26 | 32.8 Ų | 32.8 | 14% | 0.136 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.1 | -46.6 | -176.2 | 175.5 | 63.3 | 0 | 0 | 0 | 111.4 | L13 V16 K17 L20 N48 I49 V54 I55 R56 | L13-L52 HydrophobicContact CD1-CB 4.24Å; L13-L52 HydrophobicContact CD1-CD2 3.7Å; V16-L52 HydrophobicContact CG1-CD2 4.16Å; K17-L52 HydrophobicContact CB-CD2 4.01Å; L20-L52 HydrophobicContact CD1-CD2 3.98Å; L20-L52 HydrophobicContact CD1-CG 3.89Å; N48-L52 PolarHBondContact O-N 3.37Å; N48-L52 VanDerWaalsContact O-N 3.14Å; I49-L52 PolarHBondContact O-N 3.22Å; L52-V54 VanDerWaalsContact C-N 3.35Å; L52-V54 PolarHBondContact O-N 3.44Å; L52-I55 PolarHBondContact O-N 3.29Å; L52-R56 HydrophobicContact CD1-CG 4.03Å; L52-R56 HydrophobicContact CG-CG 4.5Å; L52-R56 WeakPolarHBondContact O-CB 3.32Å; L52-R56 WeakPolarHBondContact O-CG 3.3Å; L52-R56 PolarHBondContact O-N 2.95Å |
| 53 | L | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 179.5 | -70.1 | 171.7 | 0 | 0 | 0 | 111.1 | V16 L20 V27 L37 L38 A41 I49 D51 R56 G57 A58 | V16-L53 HydrophobicContact CG1-CD2 4.49Å; L20-L53 HydrophobicContact CD1-CD2 3.97Å; L20-L53 HydrophobicContact CD2-CD2 4.5Å; V27-L53 HydrophobicContact CG2-CB 4.34Å; V27-L53 HydrophobicContact CG2-CD2 3.62Å; L37-L53 HydrophobicContact CB-CD1 3.8Å; L37-L53 HydrophobicContact CB-CD2 3.8Å; L37-L53 HydrophobicContact CB-CG 4.49Å; L37-L53 HydrophobicContact CD1-CD2 3.98Å; L37-L53 WeakPolarHBondContact O-CD1 3.49Å; L38-L53 HydrophobicContact CB-CD1 4.41Å; L38-L53 HydrophobicContact CD1-CB 4.46Å; A41-L53 HydrophobicContact CB-CD1 3.9Å; I49-L53 HydrophobicContact CG2-CD1 3.69Å; I49-L53 HydrophobicContact CG2-CG 4.01Å; I49-L53 WeakPolarHBondContact O-CB 3.47Å; I49-L53 WeakPolarHBondContact O-CG 3.45Å; I49-L53 PolarHBondContact O-N 3.3Å; D51-L53 PolarHBondContact O-N 3.08Å; L53-R56 CarbonylContact O-C 3.5Å; L53-R56 PolarHBondContact O-N 3.11Å; L53-G57 PolarHBondContact O-N 3.38Å; L53-A58 VanDerWaalsContact C-CB 3.47Å; L53-A58 HydrophobicContact CB-CB 3.92Å; L53-A58 WeakPolarHBondContact O-CB 3.39Å; L53-A58 PolarHBondContact O-N 2.89Å |
| 54 | V | 89 | Confident | 90.8 | Very high | 16 Ų | 16 | 29.9 Ų | 29.9 | 10% | 0.097 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.8 | -45.7 | 178.1 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | L38 V50 D51 L52 R56 G57 I60 Y85 H90 | L38-V54 HydrophobicContact CD1-CG2 4.07Å; L38-V54 HydrophobicContact CD2-CG2 4.48Å; V50-V54 WeakPolarHBondContact O-CB 3.38Å; V50-V54 VanDerWaalsContact O-CG2 3.27Å; V50-V54 WeakPolarHBondContact O-CG2 3.19Å; V50-V54 PolarHBondContact O-N 2.9Å; V50-V54 VanDerWaalsContact O-N 3.09Å; D51-V54 PolarHBondContact O-N 2.9Å; L52-V54 VanDerWaalsContact C-N 3.35Å; L52-V54 PolarHBondContact O-N 3.44Å; V54-R56 PolarHBondContact O-N 3.46Å; V54-G57 PolarHBondContact O-N 3.18Å; V54-I60 HydrophobicContact CG1-CD1 3.8Å; V54-I60 HydrophobicContact CG1-CG1 4.39Å; V54-I60 HydrophobicContact CG2-CD1 4.15Å; V54-I60 HydrophobicContact CG2-CG1 4.09Å; V54-Y85 HydrophobicContact CB-CE1 4.46Å; V54-Y85 HydrophobicContact CG2-CE1 4.22Å; V54-H90 WeakPolarHBondContact CG1-NE2 3.21Å |
| 55 | I | 87.3 | Confident | 90.3 | Very high | 107 Ų | 107 | 31.4 Ų | 31.4 | 55% | 0.549 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58.5 | -38.7 | 175.3 | -70.8 | 171.1 | 0 | 0 | 0 | 111.1 | D51 L52 G57 | D51-I55 WeakPolarHBondContact O-CG1 3.49Å; D51-I55 PolarHBondContact O-N 3.17Å; D51-I55 WeakPolarHBondContact OD1-CD1 3.28Å; L52-I55 PolarHBondContact O-N 3.29Å; I55-G57 PolarHBondContact O-N 3.09Å |
| 56 | R | 89 | Confident | 90 | Very high | 39 Ų | 39 | 31.2 Ų | 31.2 | 15% | 0.147 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 6.5 | 177.7 | -65.4 | -75.2 | -177.3 | 108.2 | 0.4 | 113.6 | L20 D21 V27 L52 L53 V54 N249 | L20-R56 VanDerWaalsContact CB-NH1 3.34Å; L20-R56 HydrophobicContact CD1-CB 4.35Å; L20-R56 HydrophobicContact CD1-CG 4.04Å; L20-R56 PolarHBondContact O-NH1 3.18Å; D21-R56 IonicContact OD1-CZ 2.81Å; D21-R56 VanDerWaalsContact OD1-CZ 3.31Å; D21-R56 IonicContact OD1-NH1 3.03Å; D21-R56 PolarHBondContact OD1-NH1 2.9Å; D21-R56 IonicContact OD1-NH2 2.72Å; D21-R56 PolarHBondContact OD1-NH2 3.37Å; V27-R56 WeakPolarHBondContact CG1-O 3.44Å; V27-R56 HydrophobicContact CG2-CB 4.41Å; L52-R56 HydrophobicContact CD1-CG 4.03Å; L52-R56 HydrophobicContact CG-CG 4.5Å; L52-R56 WeakPolarHBondContact O-CB 3.32Å; L52-R56 WeakPolarHBondContact O-CG 3.3Å; L52-R56 PolarHBondContact O-N 2.95Å; L53-R56 CarbonylContact O-C 3.5Å; L53-R56 PolarHBondContact O-N 3.11Å; V54-R56 PolarHBondContact O-N 3.46Å; R56-N249 CarbonylContact O-C 3.51Å |
| 57 | G | 84.7 | Confident | 89.6 | Confident | 14 Ų | 14 | 29.4 Ų | 29.4 | 14% | 0.144 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | 23.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | N28 L53 V54 I55 R59 | N28-G57 PolarHBondContact ND2-O 3.26Å; L53-G57 PolarHBondContact O-N 3.38Å; V54-G57 PolarHBondContact O-N 3.18Å; I55-G57 PolarHBondContact O-N 3.09Å; G57-R59 PolarHBondContact O-N 2.88Å |
| 58 | A | 87.1 | Confident | 89.4 | Confident | 6 Ų | 6 | 27.7 Ų | 27.7 | 5% | 0.05 | 15% | 0.147 | C | C | . | . | trans | -60.8 | 130 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V27 N28 L38 L53 I60 | V27-A58 HydrophobicContact CG2-CB 3.97Å; N28-A58 WeakPolarHBondContact OD1-CA 3.18Å; L38-A58 HydrophobicContact CB-CB 4.25Å; L38-A58 HydrophobicContact CD2-CB 4.19Å; L53-A58 VanDerWaalsContact C-CB 3.47Å; L53-A58 HydrophobicContact CB-CB 3.92Å; L53-A58 WeakPolarHBondContact O-CB 3.39Å; L53-A58 PolarHBondContact O-N 2.89Å; A58-I60 PolarHBondContact O-N 3.23Å | ||
| 59 | R | 82.2 | Confident | 89.2 | Confident | 36 Ų | 36 | 23 Ų | 23 | 14% | 0.136 | 12% | 0.122 | C | C | . | . | trans | -70.6 | 112.8 | 175.2 | -70.6 | 169.2 | -173.7 | -158 | -8.1 | 108.9 | N28 G57 A62 R179 | N28-R59 WeakPolarHBondContact OD1-CB 3.45Å; N28-R59 VanDerWaalsContact OD1-CG 3.29Å; N28-R59 WeakPolarHBondContact OD1-CG 3.43Å; N28-R59 PolarHBondContact OD1-N 2.94Å; G57-R59 PolarHBondContact O-N 2.88Å; R59-A62 HydrophobicContact CB-CB 3.93Å; R59-A62 WeakPolarHBondContact O-CB 3.36Å; R59-A62 PolarHBondContact O-N 3.46Å; R59-R179 VanDerWaalsContact NH2-NE 3.15Å; R59-R179 VanDerWaalsContact NH2-NH2 3.15Å | ||
| 60 | I | 83.1 | Confident | 89 | Confident | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -35.6 | -172.7 | -49.3 | -179.7 | 0 | 0 | 0 | 111.7 | V54 A58 A62 L86 H90 L92 A339 | V54-I60 HydrophobicContact CG1-CD1 3.8Å; V54-I60 HydrophobicContact CG1-CG1 4.39Å; V54-I60 HydrophobicContact CG2-CD1 4.15Å; V54-I60 HydrophobicContact CG2-CG1 4.09Å; A58-I60 PolarHBondContact O-N 3.23Å; I60-A62 PolarHBondContact O-N 3.38Å; I60-L86 HydrophobicContact CG2-CD2 3.81Å; I60-H90 HydrophobicContact CD1-CB 4.01Å; I60-H90 WeakPolarHBondContact CD1-CD2 3.03Å; I60-H90 VanDerWaalsContact CD1-CE1 3.48Å; I60-H90 WeakPolarHBondContact CD1-CE1 3.41Å; I60-H90 WeakPolarHBondContact CD1-ND1 3.48Å; I60-H90 VanDerWaalsContact CD1-NE2 3.27Å; I60-H90 WeakPolarHBondContact CD1-NE2 3.28Å; I60-L92 HydrophobicContact CB-CD2 4.19Å; I60-L92 HydrophobicContact CG2-CD1 4.13Å; I60-L92 HydrophobicContact CG2-CD2 3.56Å; I60-L92 HydrophobicContact CG2-CG 4.42Å; I60-A339 HydrophobicContact CD1-CB 4.27Å; I60-A339 HydrophobicContact CG1-CB 4.23Å |
| 61 | N | 79.7 | Confident | 88.9 | Confident | 28 Ų | 28 | 23.3 Ų | 23.3 | 15% | 0.15 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 12.7 | 174.3 | -65.6 | -35 | 0 | 0 | 0 | 112.8 | T63 L92 T176 I338 I341 | N61-T63 PolarHBondContact O-N 3.21Å; N61-L92 WeakPolarHBondContact OD1-CD2 3.38Å; N61-T176 PolarHBondContact O-OG1 2.99Å; N61-I338 PolarHBondContact ND2-O 3.12Å; N61-I341 PolarHBondContact ND2-O 3.03Å |
| 62 | A | 82.2 | Confident | 89.1 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 137.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | H39 R59 I60 T176 | H39-A62 PolarHBondContact CE1-O 3.49Å; H39-A62 PolarHBondContact NE2-O 3.13Å; R59-A62 HydrophobicContact CB-CB 3.93Å; R59-A62 WeakPolarHBondContact O-CB 3.36Å; R59-A62 PolarHBondContact O-N 3.46Å; I60-A62 PolarHBondContact O-N 3.38Å; A62-T176 CarbonylContact C-O 3.47Å; A62-T176 WeakPolarHBondContact CA-O 3.47Å |
| 63 | T | 87 | Confident | 89.2 | Confident | 8 Ų | 8 | 20.8 Ų | 20.8 | 5% | 0.049 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 146.6 | 172.7 | 69.8 | 0 | 0 | 0 | 0 | 112.6 | N61 D67 D68 T69 T176 R177 A178 | N61-T63 PolarHBondContact O-N 3.21Å; T63-D67 WeakPolarHBondContact CG2-O 3.41Å; T63-D68 VanDerWaalsContact CA-O 3.24Å; T63-D68 WeakPolarHBondContact CA-O 3.44Å; T63-T69 HydrophobicContact CG2-CG2 3.89Å; T63-T176 PolarHBondContact N-O 3.18Å; T63-R177 WeakPolarHBondContact O-CA 3.4Å; T63-A178 PolarHBondContact O-N 3.31Å |
| 64 | N | 90.7 | Very high | 89.4 | Confident | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | trans | -78.9 | -171.7 | 169.2 | 71.4 | 10.8 | 0 | 0 | 0 | 111.4 | F35 G66 D67 D68 | F35-N64 HydrophobicContact CD2-CB 3.67Å; F35-N64 HydrophobicContact CE2-CB 3.77Å; F35-N64 WeakPolarHBondContact CE2-ND2 3.27Å; F35-N64 HydrophobicContact CG-CB 4.27Å; F35-N64 HydrophobicContact CZ-CB 4.44Å; F35-N64 WeakPolarHBondContact CZ-ND2 3.5Å; N64-G66 VanDerWaalsContact C-N 3.27Å; N64-G66 PolarHBondContact O-N 2.88Å; N64-G66 WeakPolarHBondContact OD1-CA 3.47Å; N64-G66 PolarHBondContact OD1-N 2.83Å; N64-D67 PolarHBondContact O-N 3.36Å; N64-D67 VanDerWaalsContact O-N 3.13Å; N64-D67 PolarHBondContact OD1-N 3.49Å; N64-D68 PolarHBondContact N-O 3.1Å; N64-D68 PolarHBondContact OD1-N 3.27Å | ||
| 65 | M | 89.1 | Confident | 89.9 | Confident | 90 Ų | 90 | 20 Ų | 20 | 44% | 0.443 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -31.1 | 177.7 | -82.7 | -171.1 | 175.8 | 0 | 0 | 114.6 | E32 H33 R34 D67 | E32-M65 WeakPolarHBondContact O-CE 3.47Å; H33-M65 WeakPolarHBondContact O-CG 3.41Å; H33-M65 PolarHBondContact O-N 3.31Å; R34-M65 HydrophobicContact CB-CG 4.37Å; R34-M65 HydrophobicContact CG-CE 4.39Å; R34-M65 HydrophobicContact CG-CG 4Å; M65-D67 PolarHBondContact O-N 2.86Å |
| 66 | G | 90.5 | Very high | 90.4 | Very high | 11 Ų | 11 | 15.5 Ų | 15.5 | 11% | 0.113 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 11.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | N64 D68 N98 E99 | N64-G66 VanDerWaalsContact C-N 3.27Å; N64-G66 PolarHBondContact O-N 2.88Å; N64-G66 WeakPolarHBondContact OD1-CA 3.47Å; N64-G66 PolarHBondContact OD1-N 2.83Å; G66-D68 PolarHBondContact O-N 3.04Å; G66-N98 WeakPolarHBondContact O-CB 3.22Å; G66-E99 VanDerWaalsContact CA-CD 3.48Å; G66-E99 WeakPolarHBondContact CA-OE1 3.22Å; G66-E99 WeakPolarHBondContact O-CB 3.49Å; G66-E99 WeakPolarHBondContact O-CG 3.27Å; G66-E99 PolarHBondContact O-N 3.38Å |
| 67 | D | 90.1 | Very high | 90.8 | Very high | 13 Ų | 13 | 17.7 Ų | 17.7 | 7% | 0.07 | 10% | 0.097 | C | C | . | . | trans | 59.8 | 18.2 | -173.9 | -62.9 | -29.8 | 0 | 0 | 0 | 115.1 | T63 N64 M65 N98 E99 K175 R177 | T63-D67 WeakPolarHBondContact CG2-O 3.41Å; N64-D67 PolarHBondContact O-N 3.36Å; N64-D67 VanDerWaalsContact O-N 3.13Å; N64-D67 PolarHBondContact OD1-N 3.49Å; M65-D67 PolarHBondContact O-N 2.86Å; D67-N98 HydrophobicContact CB-CB 4.49Å; D67-E99 HydrophobicContact CB-CB 4.42Å; D67-K175 HydrophobicContact CB-CD 3.93Å; D67-K175 VanDerWaalsContact CG-CD 3.41Å; D67-K175 VanDerWaalsContact OD2-CD 3.25Å; D67-K175 WeakPolarHBondContact OD2-CD 3.49Å; D67-K175 WeakPolarHBondContact OD2-CE 3.16Å; D67-K175 IonicContact OD2-NZ 3.9Å; D67-K175 PolarHBondContact OD2-NZ 3Å; D67-R177 IonicContact OD1-CZ 3.31Å; D67-R177 IonicContact OD1-NE 2.82Å; D67-R177 IonicContact OD1-NH2 2.76Å; D67-R177 PolarHBondContact OD1-NH2 3.24Å | ||
| 68 | D | 92.9 | Very high | 91.5 | Very high | 20 Ų | 20 | 18.4 Ų | 18.4 | 11% | 0.107 | 10% | 0.104 | C | C | . | . | trans | -74.2 | 141.6 | 172.4 | -66.2 | -52.4 | 0 | 0 | 0 | 110.5 | H39 T63 N64 G66 H72 L73 N98 Y107 | H39-D68 PolarHBondContact NE2-O 3.15Å; T63-D68 VanDerWaalsContact CA-O 3.24Å; T63-D68 WeakPolarHBondContact CA-O 3.44Å; N64-D68 PolarHBondContact N-O 3.1Å; N64-D68 PolarHBondContact OD1-N 3.27Å; G66-D68 PolarHBondContact O-N 3.04Å; D68-H72 HydrophobicContact CB-CB 3.97Å; D68-H72 IonicContact OD1-CD2 3.14Å; D68-H72 IonicContact OD1-CG 3.7Å; D68-L73 HydrophobicContact CB-CD2 4.45Å; D68-N98 WeakPolarHBondContact OD1-CB 3.36Å; D68-N98 PolarHBondContact OD1-ND2 3.48Å; D68-Y107 WeakPolarHBondContact OD1-CE2 3.46Å; D68-Y107 PolarHBondContact OD1-OH 3.19Å | ||
| 69 | T | 92.3 | Very high | 92 | Very high | 13 Ų | 13 | 20.4 Ų | 20.4 | 8% | 0.08 | 11% | 0.112 | C | C | . | . | B | Isolated β-bridge | trans | -96.3 | 170.2 | 170 | 67.4 | 0 | 0 | 0 | 0 | 111.3 | T63 L71 H72 L73 | T63-T69 HydrophobicContact CG2-CG2 3.89Å; T69-L71 PolarHBondContact O-N 2.96Å; T69-L71 VanDerWaalsContact O-N 3.17Å; T69-L71 PolarHBondContact OG1-N 3.09Å; T69-H72 PolarHBondContact N-ND1 3.42Å; T69-H72 VanDerWaalsContact N-ND1 3.19Å; T69-H72 WeakPolarHBondContact O-CB 3.36Å; T69-H72 PolarHBondContact O-N 3.2Å; T69-H72 PolarHBondContact OG1-ND1 2.96Å; T69-L73 PolarHBondContact O-N 2.87Å |
| 70 | A | 94 | Very high | 92.8 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -53.7 | -34.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L38 A42 L73 A74 L86 | L38-A70 HydrophobicContact CD2-CB 4.1Å; L38-A70 HydrophobicContact CG-CB 3.83Å; A42-A70 HydrophobicContact CB-CB 3.8Å; A42-A70 WeakPolarHBondContact CB-O 3.18Å; A70-L73 PolarHBondContact O-N 3.33Å; A70-A74 WeakPolarHBondContact O-CB 3.43Å; A70-A74 PolarHBondContact O-N 3.25Å; A70-L86 HydrophobicContact CB-CD1 4.23Å |
| 71 | L | 95.3 | Very high | 93.4 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.9 | -40.8 | 176.5 | -176.7 | 65.5 | 0 | 0 | 0 | 112.2 | T69 L73 A75 V83 L86 L87 A104 L120 | T69-L71 PolarHBondContact O-N 2.96Å; T69-L71 VanDerWaalsContact O-N 3.17Å; T69-L71 PolarHBondContact OG1-N 3.09Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L71-L73 PolarHBondContact O-N 2.81Å; L71-A75 VanDerWaalsContact O-CB 3.24Å; L71-A75 WeakPolarHBondContact O-CB 3.44Å; L71-A75 PolarHBondContact O-N 3.44Å; L71-V83 HydrophobicContact CD1-CB 4.37Å; L71-V83 HydrophobicContact CD1-CG1 3.98Å; L71-V83 HydrophobicContact CD1-CG2 4.2Å; L71-L86 HydrophobicContact CB-CD1 4.35Å; L71-L86 HydrophobicContact CD1-CB 4.45Å; L71-L86 HydrophobicContact CD1-CD1 4.42Å; L71-L87 HydrophobicContact CD1-CD1 4.45Å; L71-L87 HydrophobicContact CD1-CD2 4.26Å; L71-L87 HydrophobicContact CD1-CG 4.15Å; L71-L87 HydrophobicContact CD2-CD2 3.82Å; L71-A104 HydrophobicContact CD2-CB 4.06Å; L71-A104 HydrophobicContact CG-CB 3.79Å; L71-L120 HydrophobicContact CD2-CD2 4.45Å |
| 72 | H | 96.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 24 Ų | 24 | 1% | 0.014 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.2 | -47.3 | 175.4 | -70.6 | 83.9 | 0 | 0 | 0 | 110.9 | D68 T69 A75 A76 A96 N102 Y107 | D68-H72 HydrophobicContact CB-CB 3.97Å; D68-H72 IonicContact OD1-CD2 3.14Å; D68-H72 IonicContact OD1-CG 3.7Å; T69-H72 PolarHBondContact N-ND1 3.42Å; T69-H72 VanDerWaalsContact N-ND1 3.19Å; T69-H72 WeakPolarHBondContact O-CB 3.36Å; T69-H72 PolarHBondContact O-N 3.2Å; T69-H72 PolarHBondContact OG1-ND1 2.96Å; H72-A75 PolarHBondContact O-N 3.07Å; H72-A76 WeakPolarHBondContact O-CB 3.4Å; H72-A76 PolarHBondContact O-N 3.04Å; H72-A96 PolarHBondContact CE1-O 3.47Å; H72-A96 PolarHBondContact NE2-O 2.91Å; H72-N102 PolarHBondContact NE2-O 3.36Å; H72-N102 VanDerWaalsContact NE2-O 3.15Å; H72-Y107 HydrophobicContact CB-CD2 3.97Å; H72-Y107 HydrophobicContact CB-CE2 4Å; H72-Y107 AromaticContact CD2-CD2 3.78Å; H72-Y107 AromaticContact CD2-CE2 3.72Å |
| 73 | L | 97.7 | Very high | 95 | Very high | 13 Ų | 13 | 24 Ų | 24 | 7% | 0.068 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.3 | -44.1 | -178 | -61.5 | 175.7 | 0 | 0 | 0 | 112.3 | F35 H39 R43 D68 T69 A70 L71 A75 A76 H77 | F35-L73 HydrophobicContact CD1-CD1 3.95Å; F35-L73 HydrophobicContact CE1-CD1 3.44Å; F35-L73 VanDerWaalsContact CE1-CD1 3.44Å; F35-L73 HydrophobicContact CE1-CD2 4.01Å; F35-L73 HydrophobicContact CE1-CG 4.39Å; F35-L73 HydrophobicContact CZ-CD1 4.31Å; F35-L73 HydrophobicContact CZ-CD2 4.27Å; H39-L73 HydrophobicContact CB-CD1 3.52Å; H39-L73 WeakPolarHBondContact O-CD1 3.42Å; R43-L73 HydrophobicContact CB-CB 4.12Å; R43-L73 HydrophobicContact CB-CD1 4.4Å; D68-L73 HydrophobicContact CB-CD2 4.45Å; T69-L73 PolarHBondContact O-N 2.87Å; A70-L73 PolarHBondContact O-N 3.33Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L71-L73 PolarHBondContact O-N 2.81Å; L73-A75 VanDerWaalsContact C-N 3.31Å; L73-A75 PolarHBondContact O-N 3.4Å; L73-A76 PolarHBondContact O-N 3.35Å; L73-H77 WeakPolarHBondContact O-CB 3.35Å; L73-H77 PolarHBondContact O-CD2 3.06Å; L73-H77 PolarHBondContact O-N 3.5Å; L73-H77 VanDerWaalsContact O-N 3.07Å |
| 74 | A | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A42 A70 G78 H79 V82 V83 | A42-A74 HydrophobicContact CB-CB 4.26Å; A42-A74 WeakPolarHBondContact O-CA 3.4Å; A70-A74 WeakPolarHBondContact O-CB 3.43Å; A70-A74 PolarHBondContact O-N 3.25Å; A74-G78 PolarHBondContact O-N 3.14Å; A74-G78 VanDerWaalsContact O-N 3.12Å; A74-H79 HydrophobicContact CB-CB 4.45Å; A74-H79 PolarHBondContact O-N 3.22Å; A74-V82 HydrophobicContact CB-CB 4.01Å; A74-V82 HydrophobicContact CB-CG1 3.62Å; A74-V83 HydrophobicContact CB-CG2 3.79Å |
| 75 | A | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.2 | -40 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L71 H72 L73 H77 V83 A104 A108 H113 I116 L120 | L71-A75 VanDerWaalsContact O-CB 3.24Å; L71-A75 WeakPolarHBondContact O-CB 3.44Å; L71-A75 PolarHBondContact O-N 3.44Å; H72-A75 PolarHBondContact O-N 3.07Å; L73-A75 VanDerWaalsContact C-N 3.31Å; L73-A75 PolarHBondContact O-N 3.4Å; A75-H77 VanDerWaalsContact C-N 3.33Å; A75-H77 PolarHBondContact O-N 2.99Å; A75-V83 HydrophobicContact CB-CG2 4.44Å; A75-A104 HydrophobicContact CB-CB 3.97Å; A75-A104 WeakPolarHBondContact CB-O 3.4Å; A75-A108 HydrophobicContact CB-CB 4.44Å; A75-H113 PolarHBondContact O-CD2 3.5Å; A75-I116 HydrophobicContact CB-CG2 4.05Å; A75-L120 HydrophobicContact CB-CD1 4.45Å |
| 76 | A | 98 | Very high | 95.5 | Very high | 13 Ų | 13 | 24 Ų | 24 | 11% | 0.107 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.2 | -36 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | H72 L73 Y107 H113 | H72-A76 WeakPolarHBondContact O-CB 3.4Å; H72-A76 PolarHBondContact O-N 3.04Å; L73-A76 PolarHBondContact O-N 3.35Å; A76-Y107 HydrophobicContact CB-CD1 4Å; A76-Y107 HydrophobicContact CB-CG 3.92Å; A76-H113 PolarHBondContact O-CD2 3.08Å; A76-H113 PolarHBondContact O-NE2 2.87Å |
| 77 | H | 98.3 | Very high | 95.4 | Very high | 85 Ų | 85 | 24.4 Ų | 24.4 | 39% | 0.394 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -95.6 | 0.4 | -175.4 | -75 | -91.9 | 0 | 0 | 0 | 114.7 | R43 L73 A75 | R43-H77 PolarHBondContact NE-NE2 3.47Å; R43-H77 WeakPolarHBondContact O-CB 3.45Å; L73-H77 WeakPolarHBondContact O-CB 3.35Å; L73-H77 PolarHBondContact O-CD2 3.06Å; L73-H77 PolarHBondContact O-N 3.5Å; L73-H77 VanDerWaalsContact O-N 3.07Å; A75-H77 VanDerWaalsContact C-N 3.33Å; A75-H77 PolarHBondContact O-N 2.99Å |
| 78 | G | 98 | Very high | 95.1 | Very high | 29 Ų | 29 | 27.9 Ų | 27.9 | 30% | 0.299 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 22.6 | 172 | 0 | 0 | 0 | 0 | 0 | 114.7 | A74 F80 H113 I116 | A74-G78 PolarHBondContact O-N 3.14Å; A74-G78 VanDerWaalsContact O-N 3.12Å; G78-F80 PolarHBondContact O-N 3.46Å; G78-H113 VanDerWaalsContact CA-CE1 3.48Å; G78-H113 WeakPolarHBondContact CA-CE1 3.37Å; G78-H113 PolarHBondContact N-NE2 3.3Å; G78-I116 VanDerWaalsContact C-CD1 3.42Å |
| 79 | H | 98.4 | Very high | 94 | Very high | 47 Ų | 47 | 29.9 Ų | 29.9 | 22% | 0.218 | 16% | 0.161 | C | C | . | . | trans | -92.7 | 80.3 | -176.7 | -60.6 | -52.9 | 0 | 0 | 0 | 112.2 | A42 R43 G45 A74 D81 V82 V83 | A42-H79 PolarHBondContact O-CD2 3.37Å; R43-H79 PolarHBondContact O-CD2 3.4Å; R43-H79 VanDerWaalsContact O-CD2 3.31Å; R43-H79 PolarHBondContact O-NE2 2.94Å; G45-H79 VanDerWaalsContact CA-CD2 3.41Å; G45-H79 WeakPolarHBondContact CA-CD2 3.31Å; G45-H79 WeakPolarHBondContact CA-ND1 3.31Å; G45-H79 PolarHBondContact N-CD2 2.88Å; G45-H79 PolarHBondContact N-NE2 3.16Å; A74-H79 HydrophobicContact CB-CB 4.45Å; A74-H79 PolarHBondContact O-N 3.22Å; H79-D81 VanDerWaalsContact C-N 3.34Å; H79-D81 PolarHBondContact O-N 2.9Å; H79-V82 HydrophobicContact CB-CB 4.18Å; H79-V82 HydrophobicContact CB-CG2 4.18Å; H79-V82 PolarHBondContact O-N 3.45Å; H79-V83 WeakPolarHBondContact O-CG2 3.49Å; H79-V83 PolarHBondContact O-N 3Å; H79-V83 VanDerWaalsContact O-N 3.08Å | ||
| 80 | F | 98 | Very high | 92.8 | Very high | 73 Ų | 73 | 31.5 Ų | 31.5 | 32% | 0.32 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -58.8 | -40.9 | -176.4 | -180 | -87 | 0 | 0 | 0 | 113.5 | G78 V82 V83 H84 E115 I116 Y119 | G78-F80 PolarHBondContact O-N 3.46Å; F80-V82 VanDerWaalsContact C-N 3.34Å; F80-V82 PolarHBondContact O-N 3.37Å; F80-V83 PolarHBondContact O-N 3.37Å; F80-H84 HydrophobicContact CD1-CB 4.34Å; F80-H84 HydrophobicContact CE1-CB 4.04Å; F80-H84 VanDerWaalsContact O-CB 3.23Å; F80-H84 WeakPolarHBondContact O-CB 3.39Å; F80-H84 PolarHBondContact O-N 3.22Å; F80-E115 HydrophobicContact CD2-CB 4.23Å; F80-I116 HydrophobicContact CB-CD1 4.47Å; F80-I116 HydrophobicContact CB-CG1 4.05Å; F80-I116 HydrophobicContact CD2-CG1 4.01Å; F80-Y119 HydrophobicContact CE2-CD2 4.09Å; F80-Y119 AromaticContact CE2-CG 3.87Å; F80-Y119 HydrophobicContact CE2-CG 3.87Å; F80-Y119 AromaticContact CZ-CD2 3.9Å; F80-Y119 HydrophobicContact CZ-CD2 3.9Å; F80-Y119 HydrophobicContact CZ-CE2 4.41Å; F80-Y119 HydrophobicContact CZ-CG 4.09Å |
| 81 | D | 97.1 | Very high | 91.5 | Very high | 74 Ų | 74 | 38.4 Ų | 38.4 | 40% | 0.396 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.7 | -40.1 | -179.8 | 60.2 | -22 | 0 | 0 | 0 | 112.6 | R47 H79 Y85 | R47-D81 HydrophobicContact CB-CB 4.48Å; R47-D81 VanDerWaalsContact CB-OD2 3.23Å; R47-D81 WeakPolarHBondContact CB-OD2 3.3Å; R47-D81 HydrophobicContact CG-CB 4.41Å; H79-D81 VanDerWaalsContact C-N 3.34Å; H79-D81 PolarHBondContact O-N 2.9Å; D81-Y85 WeakPolarHBondContact O-CB 3.38Å; D81-Y85 PolarHBondContact O-N 2.97Å |
| 82 | V | 97.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.4 | -48.8 | 172.5 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | A42 R47 V50 A74 H79 F80 H84 Y85 L86 | A42-V82 HydrophobicContact CB-CG1 3.95Å; R47-V82 HydrophobicContact CB-CG2 4.13Å; V50-V82 HydrophobicContact CG1-CG1 4.41Å; V50-V82 HydrophobicContact CG2-CG1 4.1Å; V50-V82 HydrophobicContact CG2-CG2 4.24Å; A74-V82 HydrophobicContact CB-CB 4.01Å; A74-V82 HydrophobicContact CB-CG1 3.62Å; H79-V82 HydrophobicContact CB-CB 4.18Å; H79-V82 HydrophobicContact CB-CG2 4.18Å; H79-V82 PolarHBondContact O-N 3.45Å; F80-V82 VanDerWaalsContact C-N 3.34Å; F80-V82 PolarHBondContact O-N 3.37Å; V82-H84 VanDerWaalsContact C-N 3.32Å; V82-H84 PolarHBondContact O-N 2.93Å; V82-Y85 PolarHBondContact O-N 3.42Å; V82-L86 HydrophobicContact CG1-CD1 3.77Å; V82-L86 HydrophobicContact CG1-CG 4.2Å; V82-L86 WeakPolarHBondContact O-CB 3.34Å; V82-L86 VanDerWaalsContact O-CG 3.28Å; V82-L86 WeakPolarHBondContact O-CG 3.4Å; V82-L86 PolarHBondContact O-N 3.16Å |
| 83 | V | 96.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.8 | -47.4 | 177.1 | 171.3 | 0 | 0 | 0 | 0 | 111 | L71 A74 A75 H79 F80 Y85 L86 L87 I116 Y119 L120 | L71-V83 HydrophobicContact CD1-CB 4.37Å; L71-V83 HydrophobicContact CD1-CG1 3.98Å; L71-V83 HydrophobicContact CD1-CG2 4.2Å; A74-V83 HydrophobicContact CB-CG2 3.79Å; A75-V83 HydrophobicContact CB-CG2 4.44Å; H79-V83 WeakPolarHBondContact O-CG2 3.49Å; H79-V83 PolarHBondContact O-N 3Å; H79-V83 VanDerWaalsContact O-N 3.08Å; F80-V83 PolarHBondContact O-N 3.37Å; V83-Y85 PolarHBondContact O-N 3.49Å; V83-L86 PolarHBondContact O-N 3.03Å; V83-L87 HydrophobicContact CG1-CD1 3.82Å; V83-L87 HydrophobicContact CG1-CG 4.47Å; V83-L87 WeakPolarHBondContact O-CG 3.5Å; V83-L87 PolarHBondContact O-N 2.72Å; V83-I116 HydrophobicContact CG1-CG2 4.29Å; V83-I116 HydrophobicContact CG2-CD1 4.28Å; V83-I116 HydrophobicContact CG2-CG2 4.08Å; V83-Y119 HydrophobicContact CG1-CD1 4.05Å; V83-L120 HydrophobicContact CG1-CD2 4.44Å |
| 84 | H | 95 | Very high | 89 | Confident | 81 Ų | 81 | 41.7 Ų | 41.7 | 38% | 0.375 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.6 | -45.9 | 178.8 | 177.4 | -87.3 | 0 | 0 | 0 | 111.7 | F80 V82 N88 Y119 | F80-H84 HydrophobicContact CD1-CB 4.34Å; F80-H84 HydrophobicContact CE1-CB 4.04Å; F80-H84 VanDerWaalsContact O-CB 3.23Å; F80-H84 WeakPolarHBondContact O-CB 3.39Å; F80-H84 PolarHBondContact O-N 3.22Å; V82-H84 VanDerWaalsContact C-N 3.32Å; V82-H84 PolarHBondContact O-N 2.93Å; H84-N88 PolarHBondContact CD2-ND2 2.88Å; H84-N88 PolarHBondContact CE1-ND2 2.93Å; H84-N88 PolarHBondContact ND1-ND2 3.15Å; H84-N88 PolarHBondContact NE2-ND2 3.43Å; H84-N88 VanDerWaalsContact O-CB 3.31Å; H84-N88 WeakPolarHBondContact O-CB 3.19Å; H84-N88 PolarHBondContact O-N 3.49Å; H84-N88 PolarHBondContact O-ND2 3.29Å; H84-Y119 HydrophobicContact CB-CE1 4.31Å; H84-Y119 AromaticContact CD2-CE2 3.76Å; H84-Y119 AromaticContact CD2-CZ 3.51Å; H84-Y119 PolarHBondContact CD2-OH 3.38Å; H84-Y119 VanDerWaalsContact CD2-OH 3.25Å |
| 85 | Y | 93 | Very high | 88.5 | Confident | 21 Ų | 21 | 43 Ų | 43 | 8% | 0.082 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64 | -47 | 177.2 | 172.7 | -108.4 | 0 | 0 | 0 | 113.3 | R47 V50 D51 V54 D81 V82 V83 L87 N88 S89 | R47-Y85 VanDerWaalsContact NH2-CE2 3.33Å; V50-Y85 HydrophobicContact CG1-CD1 3.65Å; V50-Y85 HydrophobicContact CG1-CE1 3.77Å; D51-Y85 PolarHBondContact OD1-OH 3.02Å; V54-Y85 HydrophobicContact CB-CE1 4.46Å; V54-Y85 HydrophobicContact CG2-CE1 4.22Å; D81-Y85 WeakPolarHBondContact O-CB 3.38Å; D81-Y85 PolarHBondContact O-N 2.97Å; V82-Y85 PolarHBondContact O-N 3.42Å; V83-Y85 PolarHBondContact O-N 3.49Å; Y85-L87 VanDerWaalsContact C-N 3.35Å; Y85-L87 PolarHBondContact O-N 3.23Å; Y85-N88 PolarHBondContact O-N 3.05Å; Y85-S89 WeakPolarHBondContact CD2-OG 3.49Å; Y85-S89 VanDerWaalsContact CE2-OG 3.3Å; Y85-S89 WeakPolarHBondContact CE2-OG 3.35Å; Y85-S89 WeakPolarHBondContact O-CB 3.08Å; Y85-S89 PolarHBondContact O-N 3.03Å; Y85-S89 PolarHBondContact O-OG 3.44Å |
| 86 | L | 90.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | -178.3 | -72.9 | 177.1 | 0 | 0 | 0 | 111.2 | V50 I60 A70 L71 V82 V83 L92 | V50-L86 HydrophobicContact CG1-CD2 4.2Å; I60-L86 HydrophobicContact CG2-CD2 3.81Å; A70-L86 HydrophobicContact CB-CD1 4.23Å; L71-L86 HydrophobicContact CB-CD1 4.35Å; L71-L86 HydrophobicContact CD1-CB 4.45Å; L71-L86 HydrophobicContact CD1-CD1 4.42Å; V82-L86 HydrophobicContact CG1-CD1 3.77Å; V82-L86 HydrophobicContact CG1-CG 4.2Å; V82-L86 WeakPolarHBondContact O-CB 3.34Å; V82-L86 VanDerWaalsContact O-CG 3.28Å; V82-L86 WeakPolarHBondContact O-CG 3.4Å; V82-L86 PolarHBondContact O-N 3.16Å; V83-L86 PolarHBondContact O-N 3.03Å; L86-L92 HydrophobicContact CB-CD1 3.77Å; L86-L92 VanDerWaalsContact O-CD1 3.28Å; L86-L92 WeakPolarHBondContact O-CD1 3.43Å |
| 87 | L | 88.5 | Confident | 87.5 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -77.1 | -32.6 | -178.3 | -65.9 | 176.4 | 0 | 0 | 0 | 114.2 | L71 V83 Y85 L92 V94 Y119 L120 N123 | L71-L87 HydrophobicContact CD1-CD1 4.45Å; L71-L87 HydrophobicContact CD1-CD2 4.26Å; L71-L87 HydrophobicContact CD1-CG 4.15Å; L71-L87 HydrophobicContact CD2-CD2 3.82Å; V83-L87 HydrophobicContact CG1-CD1 3.82Å; V83-L87 HydrophobicContact CG1-CG 4.47Å; V83-L87 WeakPolarHBondContact O-CG 3.5Å; V83-L87 PolarHBondContact O-N 2.72Å; Y85-L87 VanDerWaalsContact C-N 3.35Å; Y85-L87 PolarHBondContact O-N 3.23Å; L87-L92 HydrophobicContact CD2-CB 4.3Å; L87-L92 HydrophobicContact CD2-CD1 4.34Å; L87-V94 HydrophobicContact CD2-CG2 4.19Å; L87-Y119 HydrophobicContact CB-CE1 4.19Å; L87-Y119 HydrophobicContact CD1-CD1 3.92Å; L87-Y119 HydrophobicContact CD1-CE1 3.83Å; L87-L120 HydrophobicContact CD1-CD2 3.78Å; L87-N123 HydrophobicContact CD1-CB 4.18Å |
| 88 | N | 83.5 | Confident | 87.2 | Confident | 87 Ų | 87 | 41.4 Ų | 41.4 | 47% | 0.465 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -84.1 | -28.6 | -178.8 | -76.7 | -23.3 | 0 | 0 | 0 | 114 | H84 Y85 Y119 | H84-N88 PolarHBondContact CD2-ND2 2.88Å; H84-N88 PolarHBondContact CE1-ND2 2.93Å; H84-N88 PolarHBondContact ND1-ND2 3.15Å; H84-N88 PolarHBondContact NE2-ND2 3.43Å; H84-N88 VanDerWaalsContact O-CB 3.31Å; H84-N88 WeakPolarHBondContact O-CB 3.19Å; H84-N88 PolarHBondContact O-N 3.49Å; H84-N88 PolarHBondContact O-ND2 3.29Å; Y85-N88 PolarHBondContact O-N 3.05Å; N88-Y119 PolarHBondContact ND2-OH 3.15Å; N88-Y119 PolarHBondContact OD1-OH 3.45Å |
| 89 | S | 69.5 | Low | 86.8 | Confident | 61 Ų | 61 | 44.6 Ų | 44.6 | 43% | 0.427 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -92.3 | -14.5 | -173.1 | -46.9 | 0 | 0 | 0 | 0 | 111.9 | Y85 | Y85-S89 WeakPolarHBondContact CD2-OG 3.49Å; Y85-S89 VanDerWaalsContact CE2-OG 3.3Å; Y85-S89 WeakPolarHBondContact CE2-OG 3.35Å; Y85-S89 WeakPolarHBondContact O-CB 3.08Å; Y85-S89 PolarHBondContact O-N 3.03Å; Y85-S89 PolarHBondContact O-OG 3.44Å |
| 90 | H | 67.1 | Low | 86.5 | Confident | 48 Ų | 48 | 45.5 Ų | 45.5 | 22% | 0.222 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -144 | 154 | -171.2 | -56 | 90 | 0 | 0 | 0 | 112 | V54 I60 L92 | V54-H90 WeakPolarHBondContact CG1-NE2 3.21Å; I60-H90 HydrophobicContact CD1-CB 4.01Å; I60-H90 WeakPolarHBondContact CD1-CD2 3.03Å; I60-H90 VanDerWaalsContact CD1-CE1 3.48Å; I60-H90 WeakPolarHBondContact CD1-CE1 3.41Å; I60-H90 WeakPolarHBondContact CD1-ND1 3.48Å; I60-H90 VanDerWaalsContact CD1-NE2 3.27Å; I60-H90 WeakPolarHBondContact CD1-NE2 3.28Å; H90-L92 HydrophobicContact CB-CD2 4.38Å; H90-L92 HydrophobicContact CB-CG 4.24Å; H90-L92 PolarHBondContact O-N 2.8Å |
| 91 | R | 65.3 | Low | 86.3 | Confident | 145 Ų | 145 | 42 Ų | 42 | 55% | 0.547 | 22% | 0.216 | S | C | . | . | trans | -86.2 | 85.1 | 174.1 | -67.1 | -172.4 | 179.2 | -169.8 | 1.8 | 109.3 | ||||
| 92 | L | 72.5 | Confident | 86.2 | Confident | 26 Ų | 26 | 39.5 Ų | 39.5 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | trans | -92.6 | 141.7 | 175.9 | -59.3 | 177.1 | 0 | 0 | 0 | 110.4 | I60 N61 L86 L87 H90 V94 | I60-L92 HydrophobicContact CB-CD2 4.19Å; I60-L92 HydrophobicContact CG2-CD1 4.13Å; I60-L92 HydrophobicContact CG2-CD2 3.56Å; I60-L92 HydrophobicContact CG2-CG 4.42Å; N61-L92 WeakPolarHBondContact OD1-CD2 3.38Å; L86-L92 HydrophobicContact CB-CD1 3.77Å; L86-L92 VanDerWaalsContact O-CD1 3.28Å; L86-L92 WeakPolarHBondContact O-CD1 3.43Å; L87-L92 HydrophobicContact CD2-CB 4.3Å; L87-L92 HydrophobicContact CD2-CD1 4.34Å; H90-L92 HydrophobicContact CB-CD2 4.38Å; H90-L92 HydrophobicContact CB-CG 4.24Å; H90-L92 PolarHBondContact O-N 2.8Å; L92-V94 PolarHBondContact O-N 2.94Å; L92-V94 VanDerWaalsContact O-N 3.09Å | ||
| 93 | N | 77 | Confident | 86.1 | Confident | 51 Ų | 51 | 39.5 Ų | 39.5 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | trans | -70.5 | 104.1 | 162.3 | -179.9 | 7.7 | 0 | 0 | 0 | 108.1 | D95 A96 | N93-D95 PolarHBondContact O-N 3.39Å; N93-D95 PolarHBondContact OD1-N 2.66Å; N93-D95 VanDerWaalsContact OD1-N 3.08Å; N93-A96 HydrophobicContact CB-CB 4.28Å; N93-A96 VanDerWaalsContact O-CB 3.3Å; N93-A96 WeakPolarHBondContact O-CB 3.32Å; N93-A96 PolarHBondContact O-N 2.98Å; N93-A96 VanDerWaalsContact O-N 3.08Å; N93-A96 PolarHBondContact OD1-N 3.39Å | ||
| 94 | V | 87.5 | Confident | 86.1 | Confident | 16 Ų | 16 | 39.5 Ų | 39.5 | 10% | 0.097 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -26.7 | -178.7 | 71.3 | 0 | 0 | 0 | 0 | 112.6 | L87 L92 L120 A125 | L87-V94 HydrophobicContact CD2-CG2 4.19Å; L92-V94 PolarHBondContact O-N 2.94Å; L92-V94 VanDerWaalsContact O-N 3.09Å; V94-L120 HydrophobicContact CG2-CD2 3.61Å; V94-A125 HydrophobicContact CG1-CB 4.09Å; V94-A125 HydrophobicContact CG2-CB 3.73Å |
| 95 | D | 89.4 | Confident | 86.2 | Confident | 28 Ų | 28 | 35.7 Ų | 35.7 | 15% | 0.15 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 21.6 | 177.3 | -72.2 | -31.3 | 0 | 0 | 0 | 112.3 | N93 A97 T103 A125 C126 | N93-D95 PolarHBondContact O-N 3.39Å; N93-D95 PolarHBondContact OD1-N 2.66Å; N93-D95 VanDerWaalsContact OD1-N 3.08Å; D95-A97 PolarHBondContact O-N 3.14Å; D95-T103 HydrophobicContact CB-CG2 4.32Å; D95-A125 WeakPolarHBondContact OD1-CA 3.18Å; D95-C126 PolarHBondContact OD1-N 3.47Å; D95-C126 VanDerWaalsContact OD2-CB 3.32Å; D95-C126 WeakPolarHBondContact OD2-CB 3.44Å; D95-C126 PolarHBondContact OD2-N 2.98Å; D95-C126 VanDerWaalsContact OD2-N 3.09Å |
| 96 | A | 85.7 | Confident | 86.5 | Confident | 27 Ų | 27 | 34.8 Ų | 34.8 | 22% | 0.223 | 18% | 0.181 | C | C | . | . | trans | -55 | 131.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | H72 N93 T103 | H72-A96 PolarHBondContact CE1-O 3.47Å; H72-A96 PolarHBondContact NE2-O 2.91Å; N93-A96 HydrophobicContact CB-CB 4.28Å; N93-A96 VanDerWaalsContact O-CB 3.3Å; N93-A96 WeakPolarHBondContact O-CB 3.32Å; N93-A96 PolarHBondContact O-N 2.98Å; N93-A96 VanDerWaalsContact O-N 3.08Å; N93-A96 PolarHBondContact OD1-N 3.39Å; A96-T103 WeakPolarHBondContact O-CA 3.2Å | ||
| 97 | A | 89.3 | Confident | 86.8 | Confident | 33 Ų | 33 | 37 Ų | 37 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | trans | -110.2 | 134.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D95 N102 | D95-A97 PolarHBondContact O-N 3.14Å; A97-N102 WeakPolarHBondContact CA-O 3.4Å | ||
| 98 | N | 90.9 | Very high | 87.3 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | trans | -77.4 | -170.3 | 176.1 | 78 | 1.2 | 0 | 0 | 0 | 112.1 | G66 D67 D68 H100 G101 N102 Y107 | G66-N98 WeakPolarHBondContact O-CB 3.22Å; D67-N98 HydrophobicContact CB-CB 4.49Å; D68-N98 WeakPolarHBondContact OD1-CB 3.36Å; D68-N98 PolarHBondContact OD1-ND2 3.48Å; N98-H100 PolarHBondContact O-N 3.5Å; N98-H100 VanDerWaalsContact O-N 3.15Å; N98-H100 WeakPolarHBondContact OD1-CA 3.4Å; N98-H100 PolarHBondContact OD1-N 3.45Å; N98-G101 PolarHBondContact O-N 3.18Å; N98-G101 PolarHBondContact OD1-N 2.9Å; N98-N102 PolarHBondContact N-O 2.93Å; N98-N102 WeakPolarHBondContact OD1-CB 3.44Å; N98-N102 PolarHBondContact OD1-N 2.86Å; N98-N102 PolarHBondContact OD1-O 3.31Å; N98-Y107 PolarHBondContact ND2-OH 3.47Å | ||
| 99 | E | 90 | Very high | 88 | Confident | 97 Ų | 97 | 32 Ų | 32 | 45% | 0.453 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.5 | -176 | 74.2 | -179.9 | 150.5 | 0 | 0 | 113.8 | G66 D67 | G66-E99 VanDerWaalsContact CA-CD 3.48Å; G66-E99 WeakPolarHBondContact CA-OE1 3.22Å; G66-E99 WeakPolarHBondContact O-CB 3.49Å; G66-E99 WeakPolarHBondContact O-CG 3.27Å; G66-E99 PolarHBondContact O-N 3.38Å; D67-E99 HydrophobicContact CB-CB 4.42Å |
| 100 | H | 92.7 | Very high | 89.3 | Confident | 66 Ų | 66 | 34.6 Ų | 34.6 | 31% | 0.306 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 2.2 | 177.5 | -60.5 | -62.1 | 0 | 0 | 0 | 113 | N98 N102 K132 Y133 | N98-H100 PolarHBondContact O-N 3.5Å; N98-H100 VanDerWaalsContact O-N 3.15Å; N98-H100 WeakPolarHBondContact OD1-CA 3.4Å; N98-H100 PolarHBondContact OD1-N 3.45Å; H100-N102 PolarHBondContact O-N 2.9Å; H100-K132 WeakPolarHBondContact O-CB 3.3Å; H100-K132 PolarHBondContact O-N 3.15Å; H100-Y133 HydrophobicContact CB-CE2 4.19Å; H100-Y133 PolarHBondContact ND1-OH 3Å |
| 101 | G | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 77.1 | 5.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N98 | N98-G101 PolarHBondContact O-N 3.18Å; N98-G101 PolarHBondContact OD1-N 2.9Å |
| 102 | N | 96.1 | Very high | 92.2 | Very high | 21 Ų | 21 | 34.6 Ų | 34.6 | 11% | 0.112 | 17% | 0.169 | C | C | . | . | trans | -76.7 | 138.1 | 177.7 | -68.9 | -49.5 | 0 | 0 | 0 | 109.7 | H72 A97 N98 H100 H106 Y107 N131 | H72-N102 PolarHBondContact NE2-O 3.36Å; H72-N102 VanDerWaalsContact NE2-O 3.15Å; A97-N102 WeakPolarHBondContact CA-O 3.4Å; N98-N102 PolarHBondContact N-O 2.93Å; N98-N102 WeakPolarHBondContact OD1-CB 3.44Å; N98-N102 PolarHBondContact OD1-N 2.86Å; N98-N102 PolarHBondContact OD1-O 3.31Å; H100-N102 PolarHBondContact O-N 2.9Å; N102-H106 HydrophobicContact CB-CB 3.94Å; N102-H106 PolarHBondContact OD1-CD2 3.24Å; N102-Y107 HydrophobicContact CB-CE2 4.43Å; N102-N131 WeakPolarHBondContact OD1-CB 3.34Å; N102-N131 PolarHBondContact OD1-ND2 2.89Å | ||
| 103 | T | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -98 | 170.7 | 171.5 | 68.4 | 0 | 0 | 0 | 0 | 110.4 | D95 A96 L105 H106 Y107 Q129 | D95-T103 HydrophobicContact CB-CG2 4.32Å; A96-T103 WeakPolarHBondContact O-CA 3.2Å; T103-L105 PolarHBondContact O-N 3.49Å; T103-L105 VanDerWaalsContact O-N 3.16Å; T103-L105 PolarHBondContact OG1-N 3.25Å; T103-H106 PolarHBondContact N-ND1 3.31Å; T103-H106 WeakPolarHBondContact O-CB 3.36Å; T103-H106 PolarHBondContact O-N 3.18Å; T103-H106 PolarHBondContact OG1-N 3.47Å; T103-H106 PolarHBondContact OG1-ND1 3.28Å; T103-Y107 PolarHBondContact O-N 3.03Å; T103-Q129 HydrophobicContact CG2-CG 4.14Å | ||
| 104 | A | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.2 | -32.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L71 A75 Y107 A108 L120 | L71-A104 HydrophobicContact CD2-CB 4.06Å; L71-A104 HydrophobicContact CG-CB 3.79Å; A75-A104 HydrophobicContact CB-CB 3.97Å; A75-A104 WeakPolarHBondContact CB-O 3.4Å; A104-Y107 PolarHBondContact O-N 3.5Å; A104-A108 PolarHBondContact O-N 3.09Å; A104-L120 HydrophobicContact CB-CD1 4.19Å; A104-L120 HydrophobicContact CB-CD2 4.21Å |
| 105 | L | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.2 | -35.9 | 176.5 | -174.6 | 59.9 | 0 | 0 | 0 | 112.4 | T103 Y107 A108 C109 A117 L120 I121 A125 L127 P137 | T103-L105 PolarHBondContact O-N 3.49Å; T103-L105 VanDerWaalsContact O-N 3.16Å; T103-L105 PolarHBondContact OG1-N 3.25Å; L105-Y107 VanDerWaalsContact C-N 3.32Å; L105-Y107 PolarHBondContact O-N 3.07Å; L105-A108 PolarHBondContact O-N 2.96Å; L105-C109 VanDerWaalsContact O-CB 3.32Å; L105-C109 WeakPolarHBondContact O-CB 3.13Å; L105-C109 PolarHBondContact O-N 3.32Å; L105-C109 PolarHBondContact O-SG 3.27Å; L105-C109 VanDerWaalsContact O-SG 3.41Å; L105-A117 HydrophobicContact CD1-CB 3.78Å; L105-L120 HydrophobicContact CB-CD1 4.2Å; L105-L120 HydrophobicContact CD1-CB 4.08Å; L105-L120 HydrophobicContact CD1-CD1 4.21Å; L105-I121 HydrophobicContact CD1-CD1 4.43Å; L105-I121 HydrophobicContact CD1-CG1 4.15Å; L105-I121 HydrophobicContact CD2-CG1 4.03Å; L105-A125 HydrophobicContact CB-CB 4.19Å; L105-A125 HydrophobicContact CD2-CB 3.78Å; L105-A125 HydrophobicContact CG-CB 4.49Å; L105-L127 HydrophobicContact CD2-CD2 3.9Å; L105-L127 HydrophobicContact CD2-CG 4.13Å; L105-P137 HydrophobicContact CB-CB 4.42Å; L105-P137 HydrophobicContact CB-CG 4.28Å; L105-P137 HydrophobicContact CD2-CB 4.05Å; L105-P137 HydrophobicContact CD2-CG 4.07Å; L105-P137 HydrophobicContact CG-CB 3.73Å; L105-P137 HydrophobicContact CG-CG 3.99Å |
| 106 | H | 98.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.9 | -47 | 172.3 | -72 | 80.3 | 0 | 0 | 0 | 110.8 | N102 T103 C109 F110 Q129 E135 P137 L140 | N102-H106 HydrophobicContact CB-CB 3.94Å; N102-H106 PolarHBondContact OD1-CD2 3.24Å; T103-H106 PolarHBondContact N-ND1 3.31Å; T103-H106 WeakPolarHBondContact O-CB 3.36Å; T103-H106 PolarHBondContact O-N 3.18Å; T103-H106 PolarHBondContact OG1-N 3.47Å; T103-H106 PolarHBondContact OG1-ND1 3.28Å; H106-C109 PolarHBondContact O-N 2.98Å; H106-F110 VanDerWaalsContact O-CB 3.27Å; H106-F110 WeakPolarHBondContact O-CB 3.39Å; H106-F110 PolarHBondContact O-N 3.43Å; H106-Q129 PolarHBondContact CE1-O 2.62Å; H106-Q129 PolarHBondContact NE2-O 2.83Å; H106-Q129 VanDerWaalsContact NE2-O 3.16Å; H106-E135 PolarHBondContact NE2-O 2.87Å; H106-P137 WeakPolarHBondContact NE2-CD 3.39Å; H106-L140 HydrophobicContact CB-CD1 4.16Å |
| 107 | Y | 98 | Very high | 95.7 | Very high | 47 Ų | 47 | 39.3 Ų | 39.3 | 18% | 0.184 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -47 | 177.9 | -78.6 | -56 | 0 | 0 | 0 | 112.8 | D68 H72 A76 N98 N102 T103 A104 L105 C109 F110 W111 | D68-Y107 WeakPolarHBondContact OD1-CE2 3.46Å; D68-Y107 PolarHBondContact OD1-OH 3.19Å; H72-Y107 HydrophobicContact CB-CD2 3.97Å; H72-Y107 HydrophobicContact CB-CE2 4Å; H72-Y107 AromaticContact CD2-CD2 3.78Å; H72-Y107 AromaticContact CD2-CE2 3.72Å; A76-Y107 HydrophobicContact CB-CD1 4Å; A76-Y107 HydrophobicContact CB-CG 3.92Å; N98-Y107 PolarHBondContact ND2-OH 3.47Å; N102-Y107 HydrophobicContact CB-CE2 4.43Å; T103-Y107 PolarHBondContact O-N 3.03Å; A104-Y107 PolarHBondContact O-N 3.5Å; L105-Y107 VanDerWaalsContact C-N 3.32Å; L105-Y107 PolarHBondContact O-N 3.07Å; Y107-C109 VanDerWaalsContact C-N 3.3Å; Y107-C109 PolarHBondContact O-N 3.5Å; Y107-F110 PolarHBondContact O-N 3.46Å; Y107-W111 VanDerWaalsContact O-CD1 3.26Å; Y107-W111 PolarHBondContact O-N 3.26Å |
| 108 | A | 98 | Very high | 96 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.4 | -42.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A75 A104 L105 N112 H113 I116 A117 L120 | A75-A108 HydrophobicContact CB-CB 4.44Å; A104-A108 PolarHBondContact O-N 3.09Å; L105-A108 PolarHBondContact O-N 2.96Å; A108-N112 PolarHBondContact O-N 3.37Å; A108-N112 VanDerWaalsContact O-N 3.08Å; A108-H113 PolarHBondContact O-N 3.09Å; A108-I116 HydrophobicContact CB-CB 4.27Å; A108-I116 HydrophobicContact CB-CG2 3.78Å; A108-A117 HydrophobicContact CB-CB 4.05Å; A108-L120 HydrophobicContact CB-CD1 4.03Å |
| 109 | C | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67 | -48.7 | 177 | -77.5 | 0 | 0 | 0 | 0 | 112.7 | L105 H106 Y107 W111 N112 P137 I141 | L105-C109 VanDerWaalsContact O-CB 3.32Å; L105-C109 WeakPolarHBondContact O-CB 3.13Å; L105-C109 PolarHBondContact O-N 3.32Å; L105-C109 PolarHBondContact O-SG 3.27Å; L105-C109 VanDerWaalsContact O-SG 3.41Å; H106-C109 PolarHBondContact O-N 2.98Å; Y107-C109 VanDerWaalsContact C-N 3.3Å; Y107-C109 PolarHBondContact O-N 3.5Å; C109-W111 PolarHBondContact O-N 2.92Å; C109-N112 PolarHBondContact O-N 3.21Å; C109-P137 HydrophobicContact CB-CB 4.28Å; C109-P137 WeakPolarHBondContact CB-O 3.43Å; C109-P137 PolarHBondContact SG-O 2.91Å; C109-I141 HydrophobicContact CB-CB 3.87Å |
| 110 | F | 97.1 | Very high | 96.6 | Very high | 115 Ų | 115 | 37 Ų | 37 | 50% | 0.504 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60 | -44.6 | -179.3 | -179.2 | -92.5 | 0 | 0 | 0 | 112.2 | H106 Y107 N112 L140 | H106-F110 VanDerWaalsContact O-CB 3.27Å; H106-F110 WeakPolarHBondContact O-CB 3.39Å; H106-F110 PolarHBondContact O-N 3.43Å; Y107-F110 PolarHBondContact O-N 3.46Å; F110-N112 PolarHBondContact O-N 3.39Å; F110-L140 HydrophobicContact CB-CB 4.37Å; F110-L140 HydrophobicContact CD2-CD2 4.37Å |
| 111 | W | 97.2 | Very high | 96.7 | Very high | 146 Ų | 146 | 33.9 Ų | 33.9 | 55% | 0.553 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 1 | 177 | -65.2 | 110.5 | 0 | 0 | 0 | 113.7 | Y107 C109 H113 | Y107-W111 VanDerWaalsContact O-CD1 3.26Å; Y107-W111 PolarHBondContact O-N 3.26Å; C109-W111 PolarHBondContact O-N 2.92Å; W111-H113 PolarHBondContact O-N 3.08Å |
| 112 | N | 96 | Very high | 96.8 | Very high | 48 Ų | 48 | 39.4 Ų | 39.4 | 26% | 0.257 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 37.6 | 176.5 | -168.1 | 77.9 | 0 | 0 | 0 | 114.1 | A108 C109 F110 L114 R142 | A108-N112 PolarHBondContact O-N 3.37Å; A108-N112 VanDerWaalsContact O-N 3.08Å; C109-N112 PolarHBondContact O-N 3.21Å; F110-N112 PolarHBondContact O-N 3.39Å; N112-L114 PolarHBondContact O-N 3.37Å; N112-L114 VanDerWaalsContact O-N 3.17Å; N112-R142 HydrophobicContact CB-CG 4.33Å |
| 113 | H | 97.5 | Very high | 96.6 | Very high | 56 Ų | 56 | 41.3 Ų | 41.3 | 26% | 0.259 | 19% | 0.185 | S | C | . | . | trans | -84.8 | 75.1 | 172.4 | -62.8 | -53.2 | 0 | 0 | 0 | 110.5 | A75 A76 G78 A108 W111 E115 I116 A117 | A75-H113 PolarHBondContact O-CD2 3.5Å; A76-H113 PolarHBondContact O-CD2 3.08Å; A76-H113 PolarHBondContact O-NE2 2.87Å; G78-H113 VanDerWaalsContact CA-CE1 3.48Å; G78-H113 WeakPolarHBondContact CA-CE1 3.37Å; G78-H113 PolarHBondContact N-NE2 3.3Å; A108-H113 PolarHBondContact O-N 3.09Å; W111-H113 PolarHBondContact O-N 3.08Å; H113-E115 PolarHBondContact O-N 2.87Å; H113-I116 HydrophobicContact CB-CB 4.19Å; H113-I116 HydrophobicContact CB-CD1 4.19Å; H113-I116 HydrophobicContact CB-CG1 4.43Å; H113-I116 PolarHBondContact O-N 2.93Å; H113-I116 VanDerWaalsContact O-N 3.16Å; H113-A117 PolarHBondContact O-N 3.28Å | ||
| 114 | L | 95.9 | Very high | 96.3 | Very high | 45 Ų | 45 | 43.3 Ų | 43.3 | 24% | 0.236 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.1 | -46.6 | -171.6 | 179.5 | 58 | 0 | 0 | 0 | 113.2 | N112 I116 A117 E118 A145 L148 I149 | N112-L114 PolarHBondContact O-N 3.37Å; N112-L114 VanDerWaalsContact O-N 3.17Å; L114-I116 VanDerWaalsContact C-N 3.31Å; L114-I116 PolarHBondContact O-N 3.48Å; L114-A117 PolarHBondContact O-N 2.85Å; L114-E118 HydrophobicContact CD1-CG 4.2Å; L114-E118 WeakPolarHBondContact O-CG 3.39Å; L114-E118 PolarHBondContact O-N 2.76Å; L114-A145 HydrophobicContact CD1-CB 4.33Å; L114-L148 HydrophobicContact CD2-CD1 3.83Å; L114-I149 HydrophobicContact CD1-CD1 3.33Å; L114-I149 HydrophobicContact CD1-CG1 3.58Å |
| 115 | E | 97 | Very high | 96.2 | Very high | 141 Ų | 141 | 43.3 Ų | 43.3 | 66% | 0.659 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -60.9 | -38.7 | -179.1 | -64.6 | -178.8 | 179.6 | 0 | 0 | 112.7 | F80 H113 Y119 | F80-E115 HydrophobicContact CD2-CB 4.23Å; H113-E115 PolarHBondContact O-N 2.87Å; E115-Y119 WeakPolarHBondContact O-CB 3.24Å; E115-Y119 PolarHBondContact O-N 2.87Å; E115-Y119 VanDerWaalsContact O-N 3.11Å |
| 116 | I | 98.1 | Very high | 96 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70 | -44 | 176.7 | -67.2 | 179.5 | 0 | 0 | 0 | 110.4 | A75 G78 F80 V83 A108 H113 L114 E118 Y119 L120 | A75-I116 HydrophobicContact CB-CG2 4.05Å; G78-I116 VanDerWaalsContact C-CD1 3.42Å; F80-I116 HydrophobicContact CB-CD1 4.47Å; F80-I116 HydrophobicContact CB-CG1 4.05Å; F80-I116 HydrophobicContact CD2-CG1 4.01Å; V83-I116 HydrophobicContact CG1-CG2 4.29Å; V83-I116 HydrophobicContact CG2-CD1 4.28Å; V83-I116 HydrophobicContact CG2-CG2 4.08Å; A108-I116 HydrophobicContact CB-CB 4.27Å; A108-I116 HydrophobicContact CB-CG2 3.78Å; H113-I116 HydrophobicContact CB-CB 4.19Å; H113-I116 HydrophobicContact CB-CD1 4.19Å; H113-I116 HydrophobicContact CB-CG1 4.43Å; H113-I116 PolarHBondContact O-N 2.93Å; H113-I116 VanDerWaalsContact O-N 3.16Å; L114-I116 VanDerWaalsContact C-N 3.31Å; L114-I116 PolarHBondContact O-N 3.48Å; I116-E118 PolarHBondContact O-N 2.86Å; I116-Y119 PolarHBondContact O-N 3.19Å; I116-Y119 VanDerWaalsContact O-N 3.17Å; I116-L120 HydrophobicContact CG2-CD1 3.75Å; I116-L120 HydrophobicContact CG2-CG 4.25Å; I116-L120 WeakPolarHBondContact O-CB 3.45Å; I116-L120 WeakPolarHBondContact O-CG 3.28Å; I116-L120 PolarHBondContact O-N 3.24Å |
| 117 | A | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L105 A108 H113 L114 Y119 L120 I121 I149 | L105-A117 HydrophobicContact CD1-CB 3.78Å; A108-A117 HydrophobicContact CB-CB 4.05Å; H113-A117 PolarHBondContact O-N 3.28Å; L114-A117 PolarHBondContact O-N 2.85Å; A117-Y119 VanDerWaalsContact C-N 3.29Å; A117-Y119 PolarHBondContact O-N 2.85Å; A117-L120 PolarHBondContact O-N 3.17Å; A117-I121 VanDerWaalsContact O-CD1 3.31Å; A117-I121 WeakPolarHBondContact O-CD1 3.36Å; A117-I121 WeakPolarHBondContact O-CG1 3.45Å; A117-I121 PolarHBondContact O-N 3.39Å; A117-I149 HydrophobicContact CB-CD1 3.5Å |
| 118 | E | 96.6 | Very high | 95.7 | Very high | 54 Ų | 54 | 42.2 Ų | 42.2 | 25% | 0.252 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57.9 | -41.6 | 173.2 | -69.6 | -172.2 | -168.6 | 0 | 0 | 112.4 | L114 I116 I121 K122 I149 L152 | L114-E118 HydrophobicContact CD1-CG 4.2Å; L114-E118 WeakPolarHBondContact O-CG 3.39Å; L114-E118 PolarHBondContact O-N 2.76Å; I116-E118 PolarHBondContact O-N 2.86Å; E118-I121 PolarHBondContact O-N 3.39Å; E118-K122 WeakPolarHBondContact O-CG 3.47Å; E118-K122 PolarHBondContact O-N 3.15Å; E118-I149 HydrophobicContact CG-CG1 4.2Å; E118-L152 HydrophobicContact CB-CD2 3.8Å; E118-L152 HydrophobicContact CG-CD2 3.53Å |
| 119 | Y | 96.7 | Very high | 95.5 | Very high | 31 Ų | 31 | 43.9 Ų | 43.9 | 12% | 0.122 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.7 | -40.5 | -179 | -168.8 | -100.6 | 0 | 0 | 0 | 112.9 | F80 V83 H84 L87 N88 E115 I116 A117 I121 K122 N123 | F80-Y119 HydrophobicContact CE2-CD2 4.09Å; F80-Y119 AromaticContact CE2-CG 3.87Å; F80-Y119 HydrophobicContact CE2-CG 3.87Å; F80-Y119 AromaticContact CZ-CD2 3.9Å; F80-Y119 HydrophobicContact CZ-CD2 3.9Å; F80-Y119 HydrophobicContact CZ-CE2 4.41Å; F80-Y119 HydrophobicContact CZ-CG 4.09Å; V83-Y119 HydrophobicContact CG1-CD1 4.05Å; H84-Y119 HydrophobicContact CB-CE1 4.31Å; H84-Y119 AromaticContact CD2-CE2 3.76Å; H84-Y119 AromaticContact CD2-CZ 3.51Å; H84-Y119 PolarHBondContact CD2-OH 3.38Å; H84-Y119 VanDerWaalsContact CD2-OH 3.25Å; L87-Y119 HydrophobicContact CB-CE1 4.19Å; L87-Y119 HydrophobicContact CD1-CD1 3.92Å; L87-Y119 HydrophobicContact CD1-CE1 3.83Å; N88-Y119 PolarHBondContact ND2-OH 3.15Å; N88-Y119 PolarHBondContact OD1-OH 3.45Å; E115-Y119 WeakPolarHBondContact O-CB 3.24Å; E115-Y119 PolarHBondContact O-N 2.87Å; E115-Y119 VanDerWaalsContact O-N 3.11Å; I116-Y119 PolarHBondContact O-N 3.19Å; I116-Y119 VanDerWaalsContact O-N 3.17Å; A117-Y119 VanDerWaalsContact C-N 3.29Å; A117-Y119 PolarHBondContact O-N 2.85Å; Y119-I121 VanDerWaalsContact C-N 3.34Å; Y119-I121 PolarHBondContact O-N 3.19Å; Y119-K122 PolarHBondContact O-N 3.25Å; Y119-N123 VanDerWaalsContact CE1-ND2 3.29Å; Y119-N123 WeakPolarHBondContact CE1-ND2 3.44Å; Y119-N123 PolarHBondContact O-N 3.14Å; Y119-N123 VanDerWaalsContact O-N 3.1Å; Y119-N123 PolarHBondContact O-ND2 2.78Å |
| 120 | L | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 173.6 | -74.7 | 166.1 | 0 | 0 | 0 | 111 | L71 A75 V83 L87 V94 A104 L105 A108 I116 A117 K122 N123 G124 A125 | L71-L120 HydrophobicContact CD2-CD2 4.45Å; A75-L120 HydrophobicContact CB-CD1 4.45Å; V83-L120 HydrophobicContact CG1-CD2 4.44Å; L87-L120 HydrophobicContact CD1-CD2 3.78Å; V94-L120 HydrophobicContact CG2-CD2 3.61Å; A104-L120 HydrophobicContact CB-CD1 4.19Å; A104-L120 HydrophobicContact CB-CD2 4.21Å; L105-L120 HydrophobicContact CB-CD1 4.2Å; L105-L120 HydrophobicContact CD1-CB 4.08Å; L105-L120 HydrophobicContact CD1-CD1 4.21Å; A108-L120 HydrophobicContact CB-CD1 4.03Å; I116-L120 HydrophobicContact CG2-CD1 3.75Å; I116-L120 HydrophobicContact CG2-CG 4.25Å; I116-L120 WeakPolarHBondContact O-CB 3.45Å; I116-L120 WeakPolarHBondContact O-CG 3.28Å; I116-L120 PolarHBondContact O-N 3.24Å; A117-L120 PolarHBondContact O-N 3.17Å; L120-K122 PolarHBondContact O-N 2.91Å; L120-N123 CarbonylContact O-C 3.59Å; L120-N123 WeakPolarHBondContact O-CA 3.5Å; L120-N123 PolarHBondContact O-N 2.96Å; L120-G124 PolarHBondContact O-N 3.4Å; L120-A125 VanDerWaalsContact C-CB 3.47Å; L120-A125 HydrophobicContact CB-CB 3.85Å; L120-A125 WeakPolarHBondContact O-CB 3.47Å; L120-A125 PolarHBondContact O-N 2.91Å |
| 121 | I | 95.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.7 | -65.3 | 160.7 | 0 | 0 | 0 | 111.4 | L105 A117 E118 Y119 N123 G124 L127 I149 A153 L156 H158 | L105-I121 HydrophobicContact CD1-CD1 4.43Å; L105-I121 HydrophobicContact CD1-CG1 4.15Å; L105-I121 HydrophobicContact CD2-CG1 4.03Å; A117-I121 VanDerWaalsContact O-CD1 3.31Å; A117-I121 WeakPolarHBondContact O-CD1 3.36Å; A117-I121 WeakPolarHBondContact O-CG1 3.45Å; A117-I121 PolarHBondContact O-N 3.39Å; E118-I121 PolarHBondContact O-N 3.39Å; Y119-I121 VanDerWaalsContact C-N 3.34Å; Y119-I121 PolarHBondContact O-N 3.19Å; I121-N123 PolarHBondContact O-N 3.39Å; I121-G124 PolarHBondContact O-N 3.02Å; I121-L127 HydrophobicContact CD1-CD1 3.89Å; I121-L127 HydrophobicContact CD1-CD2 3.99Å; I121-L127 HydrophobicContact CD1-CG 3.91Å; I121-L127 HydrophobicContact CG1-CD1 4.45Å; I121-L127 HydrophobicContact CG1-CD2 4.47Å; I121-L127 HydrophobicContact CG1-CG 4.12Å; I121-I149 HydrophobicContact CD1-CD1 4.48Å; I121-I149 HydrophobicContact CD1-CG1 4.27Å; I121-I149 HydrophobicContact CD1-CG2 3.59Å; I121-A153 HydrophobicContact CG2-CB 3.83Å; I121-L156 HydrophobicContact CG2-CD1 3.97Å; I121-H158 PolarHBondContact O-NE2 3.36Å; I121-H158 VanDerWaalsContact O-NE2 3.09Å |
| 122 | K | 94.1 | Very high | 95.2 | Very high | 116 Ų | 116 | 39.1 Ų | 39.1 | 50% | 0.504 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61 | -27 | 173.5 | -74.8 | 170.4 | -175.8 | 165.9 | 0 | 112.6 | E118 Y119 L120 G124 L156 | E118-K122 WeakPolarHBondContact O-CG 3.47Å; E118-K122 PolarHBondContact O-N 3.15Å; Y119-K122 PolarHBondContact O-N 3.25Å; L120-K122 PolarHBondContact O-N 2.91Å; K122-G124 VanDerWaalsContact C-N 3.33Å; K122-L156 HydrophobicContact CG-CD1 3.71Å |
| 123 | N | 91 | Very high | 95.1 | Very high | 60 Ų | 60 | 43.9 Ų | 43.9 | 32% | 0.321 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 14.3 | 174.1 | -75.1 | -85.7 | 0 | 0 | 0 | 113.2 | L87 Y119 L120 I121 | L87-N123 HydrophobicContact CD1-CB 4.18Å; Y119-N123 VanDerWaalsContact CE1-ND2 3.29Å; Y119-N123 WeakPolarHBondContact CE1-ND2 3.44Å; Y119-N123 PolarHBondContact O-N 3.14Å; Y119-N123 VanDerWaalsContact O-N 3.1Å; Y119-N123 PolarHBondContact O-ND2 2.78Å; L120-N123 CarbonylContact O-C 3.59Å; L120-N123 WeakPolarHBondContact O-CA 3.5Å; L120-N123 PolarHBondContact O-N 2.96Å; I121-N123 PolarHBondContact O-N 3.39Å |
| 124 | G | 90.2 | Very high | 95 | Very high | 42 Ų | 42 | 42.6 Ų | 42.6 | 43% | 0.433 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | 7.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116 | L120 I121 K122 C126 | L120-G124 PolarHBondContact O-N 3.4Å; I121-G124 PolarHBondContact O-N 3.02Å; K122-G124 VanDerWaalsContact C-N 3.33Å; G124-C126 PolarHBondContact O-N 3.44Å |
| 125 | A | 93.4 | Very high | 95 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -63 | 132.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V94 D95 L105 L120 L127 H158 | V94-A125 HydrophobicContact CG1-CB 4.09Å; V94-A125 HydrophobicContact CG2-CB 3.73Å; D95-A125 WeakPolarHBondContact OD1-CA 3.18Å; L105-A125 HydrophobicContact CB-CB 4.19Å; L105-A125 HydrophobicContact CD2-CB 3.78Å; L105-A125 HydrophobicContact CG-CB 4.49Å; L120-A125 VanDerWaalsContact C-CB 3.47Å; L120-A125 HydrophobicContact CB-CB 3.85Å; L120-A125 WeakPolarHBondContact O-CB 3.47Å; L120-A125 PolarHBondContact O-N 2.91Å; A125-L127 PolarHBondContact O-N 3.03Å; A125-H158 PolarHBondContact O-CE1 3.41Å | ||
| 126 | C | 93.6 | Very high | 95 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 6% | 0.061 | 19% | 0.188 | C | C | . | . | trans | -84.7 | 114.3 | -175.2 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | D95 G124 M128 Q129 | D95-C126 PolarHBondContact OD1-N 3.47Å; D95-C126 VanDerWaalsContact OD2-CB 3.32Å; D95-C126 WeakPolarHBondContact OD2-CB 3.44Å; D95-C126 PolarHBondContact OD2-N 2.98Å; D95-C126 VanDerWaalsContact OD2-N 3.09Å; G124-C126 PolarHBondContact O-N 3.44Å; C126-M128 PolarHBondContact O-N 3.38Å; C126-M128 PolarHBondContact SG-N 2.84Å; C126-M128 VanDerWaalsContact SG-N 3.43Å; C126-Q129 HydrophobicContact CB-CB 4.13Å; C126-Q129 PolarHBondContact O-N 3.16Å; C126-Q129 PolarHBondContact SG-N 3.05Å | ||
| 127 | L | 94.4 | Very high | 95 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -17 | 172.9 | -85 | 173.2 | 0 | 0 | 0 | 114.5 | L105 I121 A125 T136 P137 L138 I149 A153 L160 | L105-L127 HydrophobicContact CD2-CD2 3.9Å; L105-L127 HydrophobicContact CD2-CG 4.13Å; I121-L127 HydrophobicContact CD1-CD1 3.89Å; I121-L127 HydrophobicContact CD1-CD2 3.99Å; I121-L127 HydrophobicContact CD1-CG 3.91Å; I121-L127 HydrophobicContact CG1-CD1 4.45Å; I121-L127 HydrophobicContact CG1-CD2 4.47Å; I121-L127 HydrophobicContact CG1-CG 4.12Å; A125-L127 PolarHBondContact O-N 3.03Å; L127-T136 WeakPolarHBondContact O-CB 3.19Å; L127-P137 HydrophobicContact CD2-CB 4.2Å; L127-P137 VanDerWaalsContact O-CD 3.3Å; L127-P137 WeakPolarHBondContact O-CD 3.41Å; L127-L138 HydrophobicContact CD2-CB 4.34Å; L127-L138 PolarHBondContact O-N 3.5Å; L127-I149 HydrophobicContact CD1-CG2 3.57Å; L127-I149 HydrophobicContact CD2-CG2 3.73Å; L127-I149 HydrophobicContact CG-CG2 4.27Å; L127-A153 HydrophobicContact CD1-CB 3.31Å; L127-A153 HydrophobicContact CG-CB 4.48Å; L127-L160 HydrophobicContact CB-CD2 3.96Å; L127-L160 HydrophobicContact CD1-CD2 3.98Å |
| 128 | M | 95.6 | Very high | 94.9 | Very high | 17 Ų | 17 | 39.4 Ų | 39.4 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 9 | -176 | -57.7 | -51.7 | -61.7 | 0 | 0 | 112.9 | C126 E130 L138 L160 H162 R163 R164 | C126-M128 PolarHBondContact O-N 3.38Å; C126-M128 PolarHBondContact SG-N 2.84Å; C126-M128 VanDerWaalsContact SG-N 3.43Å; M128-E130 PolarHBondContact O-N 3.22Å; M128-L138 HydrophobicContact SD-CD2 4.23Å; M128-L160 WeakPolarHBondContact CE-O 3.09Å; M128-L160 HydrophobicContact CG-CD2 4.03Å; M128-L160 HydrophobicContact SD-CB 4.2Å; M128-L160 HydrophobicContact SD-CD2 4.07Å; M128-H162 VanDerWaalsContact CB-O 3.32Å; M128-H162 WeakPolarHBondContact CB-O 3.05Å; M128-R163 HydrophobicContact CE-CG 3.74Å; M128-R164 PolarHBondContact O-N 3.13Å |
| 129 | Q | 93.9 | Very high | 94.8 | Very high | 35 Ų | 35 | 42.1 Ų | 42.1 | 16% | 0.164 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -70 | 119 | 173.5 | -177.3 | 55.6 | 58.6 | 0 | 0 | 109.7 | T103 H106 C126 P137 R164 | T103-Q129 HydrophobicContact CG2-CG 4.14Å; H106-Q129 PolarHBondContact CE1-O 2.62Å; H106-Q129 PolarHBondContact NE2-O 2.83Å; H106-Q129 VanDerWaalsContact NE2-O 3.16Å; C126-Q129 HydrophobicContact CB-CB 4.13Å; C126-Q129 PolarHBondContact O-N 3.16Å; C126-Q129 PolarHBondContact SG-N 3.05Å; Q129-P137 WeakPolarHBondContact O-CD 3.04Å; Q129-R164 PolarHBondContact NE2-O 3.42Å |
| 130 | E | 96 | Very high | 94.8 | Very high | 33 Ų | 33 | 42.3 Ų | 42.3 | 15% | 0.154 | 21% | 0.213 | C | C | . | . | trans | -79.4 | 141.3 | 174.3 | -65.9 | 175.3 | -173.9 | 0 | 0 | 110.6 | M128 E135 T136 R163 R164 P165 F166 | M128-E130 PolarHBondContact O-N 3.22Å; E130-E135 WeakPolarHBondContact CA-O 3.42Å; E130-T136 HydrophobicContact CG-CG2 3.91Å; E130-R163 WeakPolarHBondContact OE1-CB 3.36Å; E130-R163 IonicContact OE1-CZ 3.99Å; E130-R163 IonicContact OE1-NE 3.98Å; E130-R163 PolarHBondContact OE1-NE 2.71Å; E130-R163 IonicContact OE1-NH1 2.87Å; E130-R163 IonicContact OE1-NH2 3.32Å; E130-R163 PolarHBondContact OE1-NH2 3.24Å; E130-R163 VanDerWaalsContact OE1-NH2 3.14Å; E130-R164 WeakPolarHBondContact CB-O 3.41Å; E130-R164 PolarHBondContact N-O 2.83Å; E130-P165 WeakPolarHBondContact OE2-CA 3.31Å; E130-F166 HydrophobicContact CB-CB 4.46Å; E130-F166 WeakPolarHBondContact O-CB 3.41Å | ||
| 131 | N | 95.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | trans | -83.8 | -177.3 | 163.8 | 70.6 | 13.4 | 0 | 0 | 0 | 111.2 | N102 Y133 G134 E135 F166 | N102-N131 WeakPolarHBondContact OD1-CB 3.34Å; N102-N131 PolarHBondContact OD1-ND2 2.89Å; N131-Y133 PolarHBondContact O-N 3.23Å; N131-Y133 VanDerWaalsContact O-N 3.1Å; N131-Y133 WeakPolarHBondContact OD1-CA 3.43Å; N131-Y133 WeakPolarHBondContact OD1-CB 3.2Å; N131-Y133 PolarHBondContact OD1-N 3.02Å; N131-G134 PolarHBondContact O-N 2.8Å; N131-G134 PolarHBondContact OD1-N 2.94Å; N131-E135 PolarHBondContact N-O 3.01Å; N131-E135 PolarHBondContact ND2-OE2 3.15Å; N131-E135 PolarHBondContact OD1-N 2.99Å; N131-E135 PolarHBondContact OD1-O 3.33Å; N131-F166 WeakPolarHBondContact O-CB 3.35Å | ||
| 132 | K | 94.7 | Very high | 94.7 | Very high | 125 Ų | 125 | 50.4 Ų | 50.4 | 54% | 0.543 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.5 | 179.6 | -170.9 | 171.1 | -178.3 | 170.8 | 0 | 114 | H100 F166 | H100-K132 WeakPolarHBondContact O-CB 3.3Å; H100-K132 PolarHBondContact O-N 3.15Å; K132-F166 HydrophobicContact CB-CD1 4.08Å; K132-F166 HydrophobicContact CB-CE1 4.02Å; K132-F166 HydrophobicContact CD-CE1 4.46Å; K132-F166 HydrophobicContact CG-CD1 4.34Å; K132-F166 HydrophobicContact CG-CE1 4.14Å |
| 133 | Y | 94.8 | Very high | 94.7 | Very high | 148 Ų | 148 | 50.1 Ų | 50.1 | 58% | 0.58 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -0.9 | 177.3 | -50.9 | -70.5 | 0 | 0 | 0 | 112.7 | H100 N131 E135 | H100-Y133 HydrophobicContact CB-CE2 4.19Å; H100-Y133 PolarHBondContact ND1-OH 3Å; N131-Y133 PolarHBondContact O-N 3.23Å; N131-Y133 VanDerWaalsContact O-N 3.1Å; N131-Y133 WeakPolarHBondContact OD1-CA 3.43Å; N131-Y133 WeakPolarHBondContact OD1-CB 3.2Å; N131-Y133 PolarHBondContact OD1-N 3.02Å; Y133-E135 VanDerWaalsContact C-N 3.28Å |
| 134 | G | 94.9 | Very high | 94.8 | Very high | 29 Ų | 29 | 58.1 Ų | 58.1 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 72.5 | 22.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N131 R163 | N131-G134 PolarHBondContact O-N 2.8Å; N131-G134 PolarHBondContact OD1-N 2.94Å; G134-R163 PolarHBondContact O-NH2 3.2Å |
| 135 | E | 96.4 | Very high | 95 | Very high | 81 Ų | 81 | 56.5 Ų | 56.5 | 38% | 0.379 | 26% | 0.263 | S | S | . | . | trans | -98.6 | 140 | 175.1 | -57.3 | 170.7 | 127.3 | 0 | 0 | 109.3 | H106 E130 N131 Y133 E139 L140 | H106-E135 PolarHBondContact NE2-O 2.87Å; E130-E135 WeakPolarHBondContact CA-O 3.42Å; N131-E135 PolarHBondContact N-O 3.01Å; N131-E135 PolarHBondContact ND2-OE2 3.15Å; N131-E135 PolarHBondContact OD1-N 2.99Å; N131-E135 PolarHBondContact OD1-O 3.33Å; Y133-E135 VanDerWaalsContact C-N 3.28Å; E135-E139 WeakPolarHBondContact CA-OE2 3.43Å; E135-L140 HydrophobicContact CB-CD2 4.14Å; E135-L140 HydrophobicContact CB-CG 4.36Å; E135-L140 HydrophobicContact CG-CD2 4.45Å | ||
| 136 | T | 97 | Very high | 95 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | trans | -100.1 | 158.2 | 173.8 | 62.3 | 0 | 0 | 0 | 0 | 110.9 | L127 E130 L138 E139 L140 | L127-T136 WeakPolarHBondContact O-CB 3.19Å; E130-T136 HydrophobicContact CG-CG2 3.91Å; T136-L138 PolarHBondContact O-N 3.25Å; T136-L138 VanDerWaalsContact O-N 3.13Å; T136-E139 PolarHBondContact N-OE2 3Å; T136-E139 PolarHBondContact O-N 2.98Å; T136-E139 WeakPolarHBondContact OG1-CG 3.34Å; T136-E139 PolarHBondContact OG1-N 3.3Å; T136-E139 PolarHBondContact OG1-OE2 3.44Å; T136-L140 PolarHBondContact O-N 2.86Å | ||
| 137 | P | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.8 | -31.6 | 173.7 | -23.7 | 28.9 | 0 | 0 | 0 | 113.4 | L105 H106 C109 L127 Q129 E139 L140 I141 | L105-P137 HydrophobicContact CB-CB 4.42Å; L105-P137 HydrophobicContact CB-CG 4.28Å; L105-P137 HydrophobicContact CD2-CB 4.05Å; L105-P137 HydrophobicContact CD2-CG 4.07Å; L105-P137 HydrophobicContact CG-CB 3.73Å; L105-P137 HydrophobicContact CG-CG 3.99Å; H106-P137 WeakPolarHBondContact NE2-CD 3.39Å; C109-P137 HydrophobicContact CB-CB 4.28Å; C109-P137 WeakPolarHBondContact CB-O 3.43Å; C109-P137 PolarHBondContact SG-O 2.91Å; L127-P137 HydrophobicContact CD2-CB 4.2Å; L127-P137 VanDerWaalsContact O-CD 3.3Å; L127-P137 WeakPolarHBondContact O-CD 3.41Å; Q129-P137 WeakPolarHBondContact O-CD 3.04Å; P137-E139 VanDerWaalsContact C-N 3.29Å; P137-E139 PolarHBondContact O-N 3.1Å; P137-L140 PolarHBondContact O-N 2.98Å; P137-I141 PolarHBondContact O-N 3.27Å |
| 138 | L | 95.9 | Very high | 95.1 | Very high | 41 Ų | 41 | 65.2 Ų | 65.2 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.8 | -25.1 | 177.3 | -173.8 | 59.4 | 0 | 0 | 0 | 113.2 | L127 M128 T136 I141 A146 A150 L160 | L127-L138 HydrophobicContact CD2-CB 4.34Å; L127-L138 PolarHBondContact O-N 3.5Å; M128-L138 HydrophobicContact SD-CD2 4.23Å; T136-L138 PolarHBondContact O-N 3.25Å; T136-L138 VanDerWaalsContact O-N 3.13Å; L138-I141 HydrophobicContact CD1-CG2 4.22Å; L138-I141 WeakPolarHBondContact O-CG2 3.29Å; L138-A146 HydrophobicContact CD1-CB 4.18Å; L138-A150 HydrophobicContact CD1-CB 4.11Å; L138-L160 HydrophobicContact CD2-CD1 4.45Å |
| 139 | E | 95.4 | Very high | 95 | Very high | 110 Ų | 110 | 64.4 Ų | 64.4 | 51% | 0.514 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -85.2 | -28.6 | 176.8 | -71.4 | 162.9 | 153.3 | 0 | 0 | 112.4 | E135 T136 P137 R163 | E135-E139 WeakPolarHBondContact CA-OE2 3.43Å; T136-E139 PolarHBondContact N-OE2 3Å; T136-E139 PolarHBondContact O-N 2.98Å; T136-E139 WeakPolarHBondContact OG1-CG 3.34Å; T136-E139 PolarHBondContact OG1-N 3.3Å; T136-E139 PolarHBondContact OG1-OE2 3.44Å; P137-E139 VanDerWaalsContact C-N 3.29Å; P137-E139 PolarHBondContact O-N 3.1Å; E139-R163 IonicContact OE1-NH2 3.58Å; E139-R163 IonicContact OE2-NH2 3.38Å |
| 140 | L | 95.2 | Very high | 95 | Very high | 35 Ų | 35 | 63.7 Ų | 63.7 | 18% | 0.183 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -78.7 | -20.2 | 179 | -63.6 | -179.9 | 0 | 0 | 0 | 113.6 | H106 F110 E135 T136 P137 | H106-L140 HydrophobicContact CB-CD1 4.16Å; F110-L140 HydrophobicContact CB-CB 4.37Å; F110-L140 HydrophobicContact CD2-CD2 4.37Å; E135-L140 HydrophobicContact CB-CD2 4.14Å; E135-L140 HydrophobicContact CB-CG 4.36Å; E135-L140 HydrophobicContact CG-CD2 4.45Å; T136-L140 PolarHBondContact O-N 2.86Å; P137-L140 PolarHBondContact O-N 2.98Å |
| 141 | I | 94.7 | Very high | 95 | Very high | 11 Ų | 11 | 65.4 Ų | 65.4 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -77 | 147.6 | -178.2 | -175.4 | 159.2 | 0 | 0 | 0 | 112.2 | C109 P137 L138 A145 A146 I149 | C109-I141 HydrophobicContact CB-CB 3.87Å; P137-I141 PolarHBondContact O-N 3.27Å; L138-I141 HydrophobicContact CD1-CG2 4.22Å; L138-I141 WeakPolarHBondContact O-CG2 3.29Å; I141-A145 HydrophobicContact CD1-CB 3.67Å; I141-A145 HydrophobicContact CG1-CB 3.63Å; I141-A146 HydrophobicContact CG2-CB 3.63Å; I141-I149 HydrophobicContact CD1-CB 4.41Å; I141-I149 HydrophobicContact CD1-CD1 3.37Å; I141-I149 HydrophobicContact CD1-CG1 4.35Å |
| 142 | R | 94.9 | Very high | 94.9 | Very high | 160 Ų | 160 | 67.4 Ų | 67.4 | 60% | 0.604 | 34% | 0.341 | S | S | * | . | trans | -61.7 | 142.6 | 176.1 | -65.3 | -174.2 | 177 | 168 | -2.1 | 111.2 | N112 R144 A145 A146 | N112-R142 HydrophobicContact CB-CG 4.33Å; R142-R144 VanDerWaalsContact C-N 3.31Å; R142-R144 PolarHBondContact O-N 3.19Å; R142-R144 VanDerWaalsContact O-N 3.07Å; R142-A145 PolarHBondContact O-N 3.44Å; R142-A146 PolarHBondContact O-N 3.34Å | ||
| 143 | P | 94 | Very high | 94.9 | Very high | 111 Ų | 111 | 61.4 Ų | 61.4 | 72% | 0.721 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -53.2 | -39 | -172.8 | -30.3 | 34.7 | 0 | 0 | 0 | 115.8 | A147 | P143-A147 PolarHBondContact O-N 3.44Å; P143-A147 VanDerWaalsContact O-N 3.13Å |
| 144 | R | 93.7 | Very high | 94.8 | Very high | 227 Ų | 227 | 60 Ų | 60 | 86% | 0.857 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -67.4 | -37.1 | 177.4 | -72.1 | -173.9 | -179.2 | 174.4 | 0.5 | 112.8 | R142 | R142-R144 VanDerWaalsContact C-N 3.31Å; R142-R144 PolarHBondContact O-N 3.19Å; R142-R144 VanDerWaalsContact O-N 3.07Å |
| 145 | A | 94.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 62.9 Ų | 62.9 | 7% | 0.074 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -77.1 | -35 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L114 I141 R142 A147 L148 I149 | L114-A145 HydrophobicContact CD1-CB 4.33Å; I141-A145 HydrophobicContact CD1-CB 3.67Å; I141-A145 HydrophobicContact CG1-CB 3.63Å; R142-A145 PolarHBondContact O-N 3.44Å; A145-A147 VanDerWaalsContact C-N 3.27Å; A145-A147 PolarHBondContact O-N 3.13Å; A145-L148 PolarHBondContact O-N 2.91Å; A145-I149 PolarHBondContact O-N 2.89Å |
| 146 | A | 94.1 | Very high | 94.6 | Very high | 19 Ų | 19 | 63 Ų | 63 | 16% | 0.157 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.3 | -41.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L138 I141 R142 L148 I149 A150 | L138-A146 HydrophobicContact CD1-CB 4.18Å; I141-A146 HydrophobicContact CG2-CB 3.63Å; R142-A146 PolarHBondContact O-N 3.34Å; A146-L148 PolarHBondContact O-N 3.1Å; A146-I149 PolarHBondContact O-N 3.17Å; A146-A150 WeakPolarHBondContact O-CB 3.35Å; A146-A150 PolarHBondContact O-N 2.97Å |
| 147 | A | 94.4 | Very high | 94.3 | Very high | 68 Ų | 68 | 66.2 Ų | 66.2 | 56% | 0.562 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.8 | -17 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P143 A145 P151 | P143-A147 PolarHBondContact O-N 3.44Å; P143-A147 VanDerWaalsContact O-N 3.13Å; A145-A147 VanDerWaalsContact C-N 3.27Å; A145-A147 PolarHBondContact O-N 3.13Å; A147-P151 WeakPolarHBondContact O-CD 3.3Å; A147-P151 WeakPolarHBondContact O-CG 3.14Å |
| 148 | L | 94.5 | Very high | 94 | Very high | 105 Ų | 105 | 68.1 Ų | 68.1 | 55% | 0.55 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -94.8 | -42.7 | 174 | -62.6 | 173.8 | 0 | 0 | 0 | 111.5 | L114 A145 A146 L152 | L114-L148 HydrophobicContact CD2-CD1 3.83Å; A145-L148 PolarHBondContact O-N 2.91Å; A146-L148 PolarHBondContact O-N 3.1Å; L148-L152 PolarHBondContact O-N 2.91Å |
| 149 | I | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -73 | -41.4 | -174.9 | -90.6 | 172.6 | 0 | 0 | 0 | 113.3 | L114 A117 E118 I121 L127 I141 A145 A146 L152 A153 | L114-I149 HydrophobicContact CD1-CD1 3.33Å; L114-I149 HydrophobicContact CD1-CG1 3.58Å; A117-I149 HydrophobicContact CB-CD1 3.5Å; E118-I149 HydrophobicContact CG-CG1 4.2Å; I121-I149 HydrophobicContact CD1-CD1 4.48Å; I121-I149 HydrophobicContact CD1-CG1 4.27Å; I121-I149 HydrophobicContact CD1-CG2 3.59Å; L127-I149 HydrophobicContact CD1-CG2 3.57Å; L127-I149 HydrophobicContact CD2-CG2 3.73Å; L127-I149 HydrophobicContact CG-CG2 4.27Å; I141-I149 HydrophobicContact CD1-CB 4.41Å; I141-I149 HydrophobicContact CD1-CD1 3.37Å; I141-I149 HydrophobicContact CD1-CG1 4.35Å; A145-I149 PolarHBondContact O-N 2.89Å; A146-I149 PolarHBondContact O-N 3.17Å; I149-L152 WeakPolarHBondContact O-CB 3.49Å; I149-L152 PolarHBondContact O-N 3.09Å; I149-A153 WeakPolarHBondContact O-CB 3.35Å; I149-A153 PolarHBondContact O-N 3.09Å |
| 150 | A | 94.6 | Very high | 93.5 | Very high | 20 Ų | 20 | 67 Ų | 67 | 17% | 0.165 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.7 | -46.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L138 A146 L152 A153 Q154 L160 | L138-A150 HydrophobicContact CD1-CB 4.11Å; A146-A150 WeakPolarHBondContact O-CB 3.35Å; A146-A150 PolarHBondContact O-N 2.97Å; A150-L152 VanDerWaalsContact C-N 3.32Å; A150-L152 PolarHBondContact O-N 2.98Å; A150-A153 PolarHBondContact O-N 3.29Å; A150-Q154 WeakPolarHBondContact O-CG 3.5Å; A150-Q154 PolarHBondContact O-N 3.31Å; A150-L160 HydrophobicContact CB-CD1 3.76Å |
| 151 | P | 94.8 | Very high | 93.3 | Very high | 70 Ų | 70 | 70.3 Ų | 70.3 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.7 | -37.5 | 173.6 | -24.3 | 35.1 | 0 | 0 | 0 | 113.3 | A147 Q154 A155 | A147-P151 WeakPolarHBondContact O-CD 3.3Å; A147-P151 WeakPolarHBondContact O-CG 3.14Å; P151-Q154 PolarHBondContact O-N 2.95Å; P151-A155 WeakPolarHBondContact O-CB 3.08Å; P151-A155 PolarHBondContact O-N 2.77Å |
| 152 | L | 94 | Very high | 93 | Very high | 44 Ų | 44 | 75.4 Ų | 75.4 | 23% | 0.23 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 176.3 | 177.9 | 69.5 | 0 | 0 | 0 | 111.3 | E118 L148 I149 A150 A155 L156 | E118-L152 HydrophobicContact CB-CD2 3.8Å; E118-L152 HydrophobicContact CG-CD2 3.53Å; L148-L152 PolarHBondContact O-N 2.91Å; I149-L152 WeakPolarHBondContact O-CB 3.49Å; I149-L152 PolarHBondContact O-N 3.09Å; A150-L152 VanDerWaalsContact C-N 3.32Å; A150-L152 PolarHBondContact O-N 2.98Å; L152-A155 PolarHBondContact O-N 3.43Å; L152-L156 HydrophobicContact CD1-CD1 4.35Å; L152-L156 HydrophobicContact CG-CD1 4.14Å; L152-L156 WeakPolarHBondContact O-CG 3.4Å; L152-L156 PolarHBondContact O-N 3.08Å |
| 153 | A | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I121 L127 I149 A150 A155 L156 G157 H158 L160 | I121-A153 HydrophobicContact CG2-CB 3.83Å; L127-A153 HydrophobicContact CD1-CB 3.31Å; L127-A153 HydrophobicContact CG-CB 4.48Å; I149-A153 WeakPolarHBondContact O-CB 3.35Å; I149-A153 PolarHBondContact O-N 3.09Å; A150-A153 PolarHBondContact O-N 3.29Å; A153-A155 VanDerWaalsContact C-N 3.34Å; A153-A155 PolarHBondContact O-N 3.28Å; A153-L156 CarbonylContact O-C 3.56Å; A153-L156 PolarHBondContact O-N 3.01Å; A153-L156 VanDerWaalsContact O-N 3.12Å; A153-G157 PolarHBondContact O-N 3.26Å; A153-H158 HydrophobicContact CB-CB 4.04Å; A153-H158 WeakPolarHBondContact O-CB 3.27Å; A153-H158 PolarHBondContact O-CD2 3.21Å; A153-H158 PolarHBondContact O-N 2.98Å; A153-L160 HydrophobicContact CB-CD2 4.37Å |
| 154 | Q | 94.3 | Very high | 92.8 | Very high | 119 Ų | 119 | 73.3 Ų | 73.3 | 56% | 0.556 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.5 | -42.8 | 173.4 | -73.5 | 176.5 | -20.9 | 0 | 0 | 112 | A150 P151 L156 G157 L160 | A150-Q154 WeakPolarHBondContact O-CG 3.5Å; A150-Q154 PolarHBondContact O-N 3.31Å; P151-Q154 PolarHBondContact O-N 2.95Å; Q154-L156 PolarHBondContact O-N 3.41Å; Q154-G157 PolarHBondContact O-N 3.22Å; Q154-L160 HydrophobicContact CG-CD1 3.67Å; Q154-L160 HydrophobicContact CG-CG 3.98Å |
| 155 | A | 94.2 | Very high | 92.6 | Very high | 88 Ų | 88 | 65.9 Ų | 65.9 | 73% | 0.727 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.2 | -26.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | P151 L152 A153 G157 | P151-A155 WeakPolarHBondContact O-CB 3.08Å; P151-A155 PolarHBondContact O-N 2.77Å; L152-A155 PolarHBondContact O-N 3.43Å; A153-A155 VanDerWaalsContact C-N 3.34Å; A153-A155 PolarHBondContact O-N 3.28Å; A155-G157 VanDerWaalsContact C-N 3.32Å |
| 156 | L | 93 | Very high | 92.3 | Very high | 85 Ų | 85 | 68 Ų | 68 | 45% | 0.445 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 2.3 | 173.2 | -67.7 | 170.4 | 0 | 0 | 0 | 113.4 | I121 K122 L152 A153 Q154 | I121-L156 HydrophobicContact CG2-CD1 3.97Å; K122-L156 HydrophobicContact CG-CD1 3.71Å; L152-L156 HydrophobicContact CD1-CD1 4.35Å; L152-L156 HydrophobicContact CG-CD1 4.14Å; L152-L156 WeakPolarHBondContact O-CG 3.4Å; L152-L156 PolarHBondContact O-N 3.08Å; A153-L156 CarbonylContact O-C 3.56Å; A153-L156 PolarHBondContact O-N 3.01Å; A153-L156 VanDerWaalsContact O-N 3.12Å; Q154-L156 PolarHBondContact O-N 3.41Å |
| 157 | G | 91 | Very high | 91.7 | Very high | 69 Ų | 69 | 75.2 Ų | 75.2 | 71% | 0.711 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | 11 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A153 Q154 A155 | A153-G157 PolarHBondContact O-N 3.26Å; Q154-G157 PolarHBondContact O-N 3.22Å; A155-G157 VanDerWaalsContact C-N 3.32Å |
| 158 | H | 89.1 | Confident | 90.7 | Very high | 40 Ų | 40 | 76 Ų | 76 | 19% | 0.185 | 41% | 0.41 | C | S | . | . | trans | -72.4 | 131.4 | 174 | -69.5 | -104.1 | 0 | 0 | 0 | 110.9 | I121 A125 A153 L160 | I121-H158 PolarHBondContact O-NE2 3.36Å; I121-H158 VanDerWaalsContact O-NE2 3.09Å; A125-H158 PolarHBondContact O-CE1 3.41Å; A153-H158 HydrophobicContact CB-CB 4.04Å; A153-H158 WeakPolarHBondContact O-CB 3.27Å; A153-H158 PolarHBondContact O-CD2 3.21Å; A153-H158 PolarHBondContact O-N 2.98Å; H158-L160 HydrophobicContact CB-CD2 4.48Å; H158-L160 PolarHBondContact O-N 2.72Å | ||
| 159 | D | 89.8 | Confident | 89.4 | Confident | 98 Ų | 98 | 73 Ų | 73 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | trans | -83 | 111.9 | 173 | -178.5 | 11.7 | 0 | 0 | 0 | 110.6 | S161 | D159-S161 VanDerWaalsContact OD1-CB 3.3Å; D159-S161 WeakPolarHBondContact OD1-CB 3.48Å; D159-S161 PolarHBondContact OD1-N 3.04Å; D159-S161 PolarHBondContact OD1-OG 3.33Å; D159-S161 PolarHBondContact OD2-OG 3.47Å | ||
| 160 | L | 91.6 | Very high | 87.7 | Confident | 29 Ų | 29 | 76.6 Ų | 76.6 | 15% | 0.152 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -91 | -2.2 | 177.3 | -55.3 | -173.3 | 0 | 0 | 0 | 113.4 | L127 M128 L138 A150 A153 Q154 H158 | L127-L160 HydrophobicContact CB-CD2 3.96Å; L127-L160 HydrophobicContact CD1-CD2 3.98Å; M128-L160 WeakPolarHBondContact CE-O 3.09Å; M128-L160 HydrophobicContact CG-CD2 4.03Å; M128-L160 HydrophobicContact SD-CB 4.2Å; M128-L160 HydrophobicContact SD-CD2 4.07Å; L138-L160 HydrophobicContact CD2-CD1 4.45Å; A150-L160 HydrophobicContact CB-CD1 3.76Å; A153-L160 HydrophobicContact CB-CD2 4.37Å; Q154-L160 HydrophobicContact CG-CD1 3.67Å; Q154-L160 HydrophobicContact CG-CG 3.98Å; H158-L160 HydrophobicContact CB-CD2 4.48Å; H158-L160 PolarHBondContact O-N 2.72Å |
| 161 | S | 90 | Very high | 85.7 | Confident | 104 Ų | 104 | 85.2 Ų | 85.2 | 73% | 0.727 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -85.5 | -23.5 | -179.9 | 73.9 | 0 | 0 | 0 | 0 | 112.9 | D159 | D159-S161 VanDerWaalsContact OD1-CB 3.3Å; D159-S161 WeakPolarHBondContact OD1-CB 3.48Å; D159-S161 PolarHBondContact OD1-N 3.04Å; D159-S161 PolarHBondContact OD1-OG 3.33Å; D159-S161 PolarHBondContact OD2-OG 3.47Å |
| 162 | H | 90.3 | Very high | 83.6 | Confident | 118 Ų | 118 | 83.3 Ų | 83.3 | 55% | 0.546 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -108.4 | 112.6 | -177.1 | -168.6 | 71.9 | 0 | 0 | 0 | 111.7 | M128 | M128-H162 VanDerWaalsContact CB-O 3.32Å; M128-H162 WeakPolarHBondContact CB-O 3.05Å |
| 163 | R | 92.7 | Very high | 81.4 | Confident | 100 Ų | 100 | 85.1 Ų | 85.1 | 38% | 0.377 | 47% | 0.465 | S | S | . | . | trans | -74 | 135.7 | 172.6 | -56.6 | -177.5 | 66.2 | 173.6 | 4.6 | 110 | M128 E130 G134 E139 P165 | M128-R163 HydrophobicContact CE-CG 3.74Å; E130-R163 WeakPolarHBondContact OE1-CB 3.36Å; E130-R163 IonicContact OE1-CZ 3.99Å; E130-R163 IonicContact OE1-NE 3.98Å; E130-R163 PolarHBondContact OE1-NE 2.71Å; E130-R163 IonicContact OE1-NH1 2.87Å; E130-R163 IonicContact OE1-NH2 3.32Å; E130-R163 PolarHBondContact OE1-NH2 3.24Å; E130-R163 VanDerWaalsContact OE1-NH2 3.14Å; G134-R163 PolarHBondContact O-NH2 3.2Å; E139-R163 IonicContact OE1-NH2 3.58Å; E139-R163 IonicContact OE2-NH2 3.38Å; R163-P165 WeakPolarHBondContact O-CD 3.18Å | ||
| 164 | R | 90.9 | Very high | 79.3 | Confident | 128 Ų | 128 | 88 Ų | 88 | 48% | 0.483 | 48% | 0.483 | S | S | . | . | B | Isolated β-bridge | trans | -96.6 | 106.6 | 173.2 | -64.5 | -169.4 | -175.6 | -177 | -2.3 | 108.7 | M128 Q129 E130 | M128-R164 PolarHBondContact O-N 3.13Å; Q129-R164 PolarHBondContact NE2-O 3.42Å; E130-R164 WeakPolarHBondContact CB-O 3.41Å; E130-R164 PolarHBondContact N-O 2.83Å |
| 165 | P | 90.5 | Very high | 77.6 | Confident | 70 Ų | 70 | 85 Ų | 85 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | trans | -64.3 | 144.1 | -176.1 | 25.9 | -33.9 | 0 | 0 | 0 | 111.2 | E130 R163 R167 | E130-P165 WeakPolarHBondContact OE2-CA 3.31Å; R163-P165 WeakPolarHBondContact O-CD 3.18Å; P165-R167 PolarHBondContact O-N 3.14Å | ||
| 166 | F | 87.4 | Confident | 75.9 | Confident | 54 Ų | 54 | 82.1 Ų | 82.1 | 24% | 0.237 | 44% | 0.441 | C | S | . | . | trans | -60.7 | 128.4 | 172.4 | 177 | -109.8 | 0 | 0 | 0 | 109.9 | E130 N131 K132 D168 | E130-F166 HydrophobicContact CB-CB 4.46Å; E130-F166 WeakPolarHBondContact O-CB 3.41Å; N131-F166 WeakPolarHBondContact O-CB 3.35Å; K132-F166 HydrophobicContact CB-CD1 4.08Å; K132-F166 HydrophobicContact CB-CE1 4.02Å; K132-F166 HydrophobicContact CD-CE1 4.46Å; K132-F166 HydrophobicContact CG-CD1 4.34Å; K132-F166 HydrophobicContact CG-CE1 4.14Å; F166-D168 HydrophobicContact CE1-CB 4.11Å; F166-D168 HydrophobicContact CZ-CB 4.4Å | ||
| 167 | R | 81.6 | Confident | 74.5 | Confident | 170 Ų | 170 | 82.7 Ų | 82.7 | 64% | 0.642 | 44% | 0.438 | S | S | * | . | trans | -116.2 | 123 | 170.9 | -66.5 | -175 | 179.8 | -178 | 1.2 | 108.4 | P165 T169 | P165-R167 PolarHBondContact O-N 3.14Å; R167-T169 PolarHBondContact O-N 2.85Å | ||
| 168 | D | 73.1 | Confident | 72.9 | Confident | 84 Ų | 84 | 79.5 Ų | 79.5 | 45% | 0.449 | 41% | 0.405 | S | S | . | . | trans | -68.8 | 107 | 175.1 | -168.2 | -11.5 | 0 | 0 | 0 | 109.5 | F166 S170 W171 | F166-D168 HydrophobicContact CE1-CB 4.11Å; F166-D168 HydrophobicContact CZ-CB 4.4Å; D168-S170 WeakPolarHBondContact OD1-CB 3.47Å; D168-S170 PolarHBondContact OD1-N 3.07Å; D168-S170 PolarHBondContact OD1-OG 3.02Å; D168-W171 VanDerWaalsContact O-CD1 3.29Å; D168-W171 PolarHBondContact O-NE1 2.67Å | ||
| 169 | T | 66.8 | Low | 71.5 | Confident | 44 Ų | 44 | 80.1 Ų | 80.1 | 27% | 0.27 | 41% | 0.405 | S | S | . | . | trans | -104.9 | 12.9 | 177.3 | 52.5 | 0 | 0 | 0 | 0 | 111.8 | R167 W171 I172 | R167-T169 PolarHBondContact O-N 2.85Å; T169-W171 PolarHBondContact O-N 3Å; T169-W171 VanDerWaalsContact O-N 3.08Å; T169-I172 HydrophobicContact CG2-CD1 3.7Å; T169-I172 WeakPolarHBondContact O-CA 3.45Å; T169-I172 VanDerWaalsContact O-CB 3.29Å; T169-I172 WeakPolarHBondContact O-CB 3.32Å; T169-I172 PolarHBondContact O-N 3.37Å | ||
| 170 | S | 58.4 | Low | 69.7 | Low | 74 Ų | 74 | 78.5 Ų | 78.5 | 52% | 0.517 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -23.9 | -180 | 59.1 | 0 | 0 | 0 | 0 | 114 | D168 I172 | D168-S170 WeakPolarHBondContact OD1-CB 3.47Å; D168-S170 PolarHBondContact OD1-N 3.07Å; D168-S170 PolarHBondContact OD1-OG 3.02Å; S170-I172 VanDerWaalsContact C-N 3.32Å |
| 171 | W | 52.3 | Low | 67.5 | Low | 201 Ų | 201 | 77.5 Ų | 77.5 | 76% | 0.761 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -17.8 | 174.5 | 62.8 | -86.7 | 0 | 0 | 0 | 113.5 | D168 T169 G173 | D168-W171 VanDerWaalsContact O-CD1 3.29Å; D168-W171 PolarHBondContact O-NE1 2.67Å; T169-W171 PolarHBondContact O-N 3Å; T169-W171 VanDerWaalsContact O-N 3.08Å; W171-G173 PolarHBondContact O-N 3.16Å |
| 172 | I | 52 | Low | 65.6 | Low | 30 Ų | 30 | 76 Ų | 76 | 15% | 0.154 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -80.7 | 112.9 | 175.7 | -50.7 | -177.1 | 0 | 0 | 0 | 106.4 | T169 S170 T174 | T169-I172 HydrophobicContact CG2-CD1 3.7Å; T169-I172 WeakPolarHBondContact O-CA 3.45Å; T169-I172 VanDerWaalsContact O-CB 3.29Å; T169-I172 WeakPolarHBondContact O-CB 3.32Å; T169-I172 PolarHBondContact O-N 3.37Å; S170-I172 VanDerWaalsContact C-N 3.32Å; I172-T174 HydrophobicContact CG2-CG2 3.64Å; I172-T174 PolarHBondContact O-N 3.18Å; I172-T174 PolarHBondContact O-OG1 3.17Å |
| 173 | G | 48 | Very low | 63.9 | Low | 82 Ų | 82 | 71.9 Ų | 71.9 | 85% | 0.845 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 26.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116 | W171 K175 | W171-G173 PolarHBondContact O-N 3.16Å; G173-K175 VanDerWaalsContact C-N 3.35Å |
| 174 | T | 47.7 | Very low | 62.2 | Low | 62 Ų | 62 | 67.6 Ų | 67.6 | 38% | 0.38 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -11.2 | -176.4 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | I172 T176 V343 | I172-T174 HydrophobicContact CG2-CG2 3.64Å; I172-T174 PolarHBondContact O-N 3.18Å; I172-T174 PolarHBondContact O-OG1 3.17Å; T174-T176 PolarHBondContact O-N 3.31Å; T174-V343 HydrophobicContact CG2-CG2 4.2Å |
| 175 | K | 59.4 | Low | 60.6 | Low | 55 Ų | 55 | 67.5 Ų | 67.5 | 24% | 0.239 | 34% | 0.344 | C | S | . | . | trans | -79.8 | 106.3 | 177.2 | -56.7 | -166.6 | -172.6 | -166.8 | 0 | 110.4 | D67 G173 R177 | D67-K175 HydrophobicContact CB-CD 3.93Å; D67-K175 VanDerWaalsContact CG-CD 3.41Å; D67-K175 VanDerWaalsContact OD2-CD 3.25Å; D67-K175 WeakPolarHBondContact OD2-CD 3.49Å; D67-K175 WeakPolarHBondContact OD2-CE 3.16Å; D67-K175 IonicContact OD2-NZ 3.9Å; D67-K175 PolarHBondContact OD2-NZ 3Å; G173-K175 VanDerWaalsContact C-N 3.35Å; K175-R177 PolarHBondContact O-N 2.65Å | ||
| 176 | T | 58.1 | Low | 59 | Low | 27 Ų | 27 | 67.2 Ų | 67.2 | 17% | 0.166 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 107.3 | 173.6 | 57.1 | 0 | 0 | 0 | 0 | 110.1 | N61 A62 T63 T174 I338 | N61-T176 PolarHBondContact O-OG1 2.99Å; A62-T176 CarbonylContact C-O 3.47Å; A62-T176 WeakPolarHBondContact CA-O 3.47Å; T63-T176 PolarHBondContact N-O 3.18Å; T174-T176 PolarHBondContact O-N 3.31Å; T176-I338 HydrophobicContact CG2-CB 4.37Å; T176-I338 HydrophobicContact CG2-CD1 4.08Å; T176-I338 HydrophobicContact CG2-CG1 4.13Å; T176-I338 HydrophobicContact CG2-CG2 3.33Å; T176-I338 VanDerWaalsContact OG1-CG2 3.29Å; T176-I338 WeakPolarHBondContact OG1-CG2 3.38Å |
| 177 | R | 64.4 | Low | 57.2 | Low | 98 Ų | 98 | 73 Ų | 73 | 37% | 0.37 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 148.8 | 176 | -66.1 | -176.7 | 173.6 | -144.1 | -16.3 | 110.4 | T63 D67 K175 R179 | T63-R177 WeakPolarHBondContact O-CA 3.4Å; D67-R177 IonicContact OD1-CZ 3.31Å; D67-R177 IonicContact OD1-NE 2.82Å; D67-R177 IonicContact OD1-NH2 2.76Å; D67-R177 PolarHBondContact OD1-NH2 3.24Å; K175-R177 PolarHBondContact O-N 2.65Å; R177-R179 PolarHBondContact O-N 3.09Å |
| 178 | A | 56.3 | Low | 55.5 | Low | 2 Ų | 2 | 68.9 Ų | 68.9 | 2% | 0.017 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 135.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | R34 T63 | R34-A178 HydrophobicContact CB-CB 4.34Å; R34-A178 WeakPolarHBondContact O-CB 3.24Å; T63-A178 PolarHBondContact O-N 3.31Å |
| 179 | R | 59.6 | Low | 54.4 | Low | 52 Ų | 52 | 72 Ų | 72 | 20% | 0.196 | 39% | 0.389 | C | S | . | . | B | Isolated β-bridge | trans | -69.7 | 137.8 | -178.2 | -83.6 | -168.8 | 171.7 | 164 | 2.8 | 108.8 | N28 Q29 G30 R59 R177 A181 D271 | N28-R179 PolarHBondContact O-N 3.33Å; N28-R179 VanDerWaalsContact O-N 3.16Å; Q29-R179 WeakPolarHBondContact CA-O 3.46Å; G30-R179 PolarHBondContact N-O 3.13Å; R59-R179 VanDerWaalsContact NH2-NE 3.15Å; R59-R179 VanDerWaalsContact NH2-NH2 3.15Å; R177-R179 PolarHBondContact O-N 3.09Å; R179-A181 PolarHBondContact O-N 2.8Å; R179-D271 IonicContact CZ-OD1 3.6Å; R179-D271 IonicContact CZ-OD2 3.72Å; R179-D271 IonicContact NH1-OD1 3.42Å; R179-D271 IonicContact NH1-OD2 3.94Å; R179-D271 PolarHBondContact NH1-OD2 3.19Å; R179-D271 IonicContact NH2-OD1 3.07Å; R179-D271 PolarHBondContact NH2-OD1 2.72Å; R179-D271 IonicContact NH2-OD2 3.93Å; R179-D271 PolarHBondContact NH2-OD2 3.42Å |
| 180 | D | 52.8 | Low | 54.1 | Low | 64 Ų | 64 | 75.3 Ų | 75.3 | 34% | 0.342 | 41% | 0.414 | S | S | . | . | trans | -78 | 105.4 | 174.7 | -168.9 | -14.8 | 0 | 0 | 0 | 107.9 | T182 L183 | D180-T182 PolarHBondContact O-N 3.46Å; D180-T182 WeakPolarHBondContact OD1-CB 3.25Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.1Å; D180-T182 PolarHBondContact OD1-N 3.19Å; D180-T182 VanDerWaalsContact OD1-N 3.09Å; D180-T182 PolarHBondContact OD1-OG1 3Å; D180-T182 PolarHBondContact OD2-OG1 3.38Å; D180-L183 HydrophobicContact CB-CD1 4.03Å; D180-L183 HydrophobicContact CB-CG 4.06Å; D180-L183 VanDerWaalsContact O-CB 3.24Å; D180-L183 WeakPolarHBondContact O-CB 3.49Å; D180-L183 VanDerWaalsContact O-CG 3.27Å; D180-L183 WeakPolarHBondContact O-CG 3.47Å; D180-L183 PolarHBondContact O-N 3Å | ||
| 181 | A | 46 | Very low | 54.9 | Low | 8 Ų | 8 | 73.6 Ų | 73.6 | 7% | 0.066 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 0.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q29 R179 R185 | Q29-A181 HydrophobicContact CB-CB 3.45Å; Q29-A181 VanDerWaalsContact CB-CB 3.45Å; Q29-A181 HydrophobicContact CG-CB 3.1Å; Q29-A181 VanDerWaalsContact NE2-CB 3.32Å; R179-A181 PolarHBondContact O-N 2.8Å; A181-R185 WeakPolarHBondContact O-CG 3.43Å; A181-R185 PolarHBondContact O-NE 3.34Å |
| 182 | T | 50 | Low | 56.3 | Low | 72 Ų | 72 | 66 Ų | 66 | 44% | 0.442 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -22.7 | 163.3 | 64 | 0 | 0 | 0 | 0 | 111.5 | D180 Y184 | D180-T182 PolarHBondContact O-N 3.46Å; D180-T182 WeakPolarHBondContact OD1-CB 3.25Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.1Å; D180-T182 PolarHBondContact OD1-N 3.19Å; D180-T182 VanDerWaalsContact OD1-N 3.09Å; D180-T182 PolarHBondContact OD1-OG1 3Å; D180-T182 PolarHBondContact OD2-OG1 3.38Å; T182-Y184 PolarHBondContact O-N 3Å; T182-Y184 VanDerWaalsContact O-N 3.12Å |
| 183 | L | 53.5 | Low | 57.9 | Low | 33 Ų | 33 | 66.4 Ų | 66.4 | 17% | 0.173 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -61 | -29.4 | -174.9 | -70.4 | 170.2 | 0 | 0 | 0 | 113.1 | D180 R216 | D180-L183 HydrophobicContact CB-CD1 4.03Å; D180-L183 HydrophobicContact CB-CG 4.06Å; D180-L183 VanDerWaalsContact O-CB 3.24Å; D180-L183 WeakPolarHBondContact O-CB 3.49Å; D180-L183 VanDerWaalsContact O-CG 3.27Å; D180-L183 WeakPolarHBondContact O-CG 3.47Å; D180-L183 PolarHBondContact O-N 3Å; L183-R216 HydrophobicContact CD2-CB 3.82Å; L183-R216 HydrophobicContact CD2-CG 4.43Å; L183-R216 PolarHBondContact O-NH1 3.15Å |
| 184 | Y | 57.6 | Low | 59.7 | Low | 9 Ų | 9 | 72.6 Ų | 72.6 | 4% | 0.035 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -126.7 | 2.7 | -172.4 | -50 | -65.9 | 0 | 0 | 0 | 114.7 | T182 L186 F215 R246 L257 | T182-Y184 PolarHBondContact O-N 3Å; T182-Y184 VanDerWaalsContact O-N 3.12Å; Y184-L186 PolarHBondContact O-N 3.39Å; Y184-F215 HydrophobicContact CD1-CE1 4.29Å; Y184-F215 HydrophobicContact CE1-CD1 4.03Å; Y184-F215 HydrophobicContact CE1-CE1 4.02Å; Y184-R246 PolarHBondContact O-NH1 3.45Å; Y184-R246 VanDerWaalsContact O-NH1 3.08Å; Y184-R246 PolarHBondContact O-NH2 3.07Å; Y184-L257 HydrophobicContact CD1-CB 3.68Å; Y184-L257 HydrophobicContact CD1-CD2 4.24Å; Y184-L257 HydrophobicContact CD1-CG 4.36Å; Y184-L257 HydrophobicContact CD2-CD2 4.12Å; Y184-L257 HydrophobicContact CE1-CB 3.66Å; Y184-L257 HydrophobicContact CE1-CD1 3.72Å; Y184-L257 HydrophobicContact CE1-CD2 4.07Å; Y184-L257 HydrophobicContact CE1-CG 4.02Å; Y184-L257 HydrophobicContact CE2-CD2 3.95Å; Y184-L257 HydrophobicContact CG-CB 4.37Å; Y184-L257 HydrophobicContact CG-CD2 4.26Å |
| 185 | R | 57.4 | Low | 61.5 | Low | 126 Ų | 126 | 73 Ų | 73 | 48% | 0.475 | 37% | 0.37 | S | S | . | . | trans | -61.4 | 133.8 | -178.6 | -102.6 | -175.9 | -96.6 | 164.4 | -3.2 | 111.2 | A181 E187 | A181-R185 WeakPolarHBondContact O-CG 3.43Å; A181-R185 PolarHBondContact O-NE 3.34Å; R185-E187 VanDerWaalsContact C-N 3.34Å; R185-E187 PolarHBondContact O-N 2.89Å | ||
| 186 | L | 55.9 | Low | 62.9 | Low | 65 Ų | 65 | 71.5 Ų | 71.5 | 34% | 0.34 | 37% | 0.366 | S | S | . | . | trans | -79 | -4.4 | -170 | -79.7 | 163.1 | 0 | 0 | 0 | 115.3 | E24 Y184 G188 W191 F242 | E24-L186 WeakPolarHBondContact OE2-CD1 3.4Å; Y184-L186 PolarHBondContact O-N 3.39Å; L186-G188 PolarHBondContact O-N 3.07Å; L186-W191 HydrophobicContact CD2-CH2 3.33Å; L186-W191 HydrophobicContact CD2-CZ2 3.6Å; L186-W191 HydrophobicContact CD2-CZ3 4.46Å; L186-W191 HydrophobicContact CG-CZ2 4.48Å; L186-F242 HydrophobicContact CD2-CE1 4Å | ||
| 187 | E | 49.5 | Very low | 64.5 | Low | 174 Ų | 174 | 76.8 Ų | 76.8 | 81% | 0.813 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -79.1 | 100.7 | -167.9 | -70.3 | -176.1 | 164.7 | 0 | 0 | 112 | R185 E189 | R185-E187 VanDerWaalsContact C-N 3.34Å; R185-E187 PolarHBondContact O-N 2.89Å; E187-E189 PolarHBondContact O-N 2.89Å |
| 188 | G | 46.6 | Very low | 65.9 | Low | 84 Ų | 84 | 76.1 Ų | 76.1 | 87% | 0.866 | 39% | 0.392 | S | S | * | . | S | Bend | trans | 93.1 | -9.2 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | L186 | L186-G188 PolarHBondContact O-N 3.07Š|
| 189 | E | 50.4 | Low | 67.7 | Low | 151 Ų | 151 | 80.3 Ų | 80.3 | 71% | 0.706 | 42% | 0.417 | S | S | * | . | trans | -120.1 | 126.3 | -179.9 | -66.6 | -173.4 | 163.1 | 0 | 0 | 111.7 | E187 W191 | E187-E189 PolarHBondContact O-N 2.89Å; E189-W191 PolarHBondContact O-N 3.22Å | ||
| 190 | S | 60.8 | Low | 69.2 | Low | 113 Ų | 113 | 79.5 Ų | 79.5 | 79% | 0.79 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 119.6 | 163.1 | 54.2 | 0 | 0 | 0 | 0 | 108 | D192 | S190-D192 PolarHBondContact O-N 2.88Å; S190-D192 VanDerWaalsContact O-N 3.16Å |
| 191 | W | 74.5 | Confident | 71.1 | Confident | 38 Ų | 38 | 80.3 Ų | 80.3 | 14% | 0.144 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -50.9 | 127.2 | 172.5 | -57.3 | -77.8 | 0 | 0 | 0 | 109.8 | L186 E189 P193 F215 F242 A258 I259 F260 | L186-W191 HydrophobicContact CD2-CH2 3.33Å; L186-W191 HydrophobicContact CD2-CZ2 3.6Å; L186-W191 HydrophobicContact CD2-CZ3 4.46Å; L186-W191 HydrophobicContact CG-CZ2 4.48Å; E189-W191 PolarHBondContact O-N 3.22Å; W191-P193 WeakPolarHBondContact O-CD 3.44Å; W191-F215 AromaticContact CD1-CZ 4Å; W191-F242 AromaticContact CH2-CE1 3.51Å; W191-F242 HydrophobicContact CH2-CE1 3.51Å; W191-F242 AromaticContact CH2-CZ 3.74Å; W191-F242 HydrophobicContact CH2-CZ 3.74Å; W191-F242 HydrophobicContact CZ2-CE1 4.48Å; W191-F242 HydrophobicContact CZ2-CZ 4.42Å; W191-F242 HydrophobicContact CZ3-CE1 4.1Å; W191-F242 HydrophobicContact CZ3-CZ 4.38Å; W191-A258 HydrophobicContact CD2-CB 3.73Å; W191-A258 HydrophobicContact CE3-CB 4.26Å; W191-A258 HydrophobicContact CG-CB 3.94Å; W191-A258 HydrophobicContact CZ2-CB 4.22Å; W191-I259 HydrophobicContact CE3-CG1 4.34Å; W191-I259 HydrophobicContact CH2-CG1 4.49Å; W191-I259 HydrophobicContact CZ3-CG1 3.67Å; W191-F260 HydrophobicContact CB-CD1 4Å; W191-F260 HydrophobicContact CB-CE1 3.4Å; W191-F260 VanDerWaalsContact CB-CE1 3.4Å; W191-F260 HydrophobicContact CB-CZ 4.17Å; W191-F260 WeakPolarHBondContact O-CD1 3.31Å |
| 192 | D | 82 | Confident | 73.3 | Confident | 40 Ų | 40 | 83.9 Ų | 83.9 | 21% | 0.214 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 119.1 | 179 | -172.7 | -14.9 | 0 | 0 | 0 | 109.2 | S190 R194 E195 | S190-D192 PolarHBondContact O-N 2.88Å; S190-D192 VanDerWaalsContact O-N 3.16Å; D192-R194 VanDerWaalsContact CG-NE 3.32Å; D192-R194 PolarHBondContact O-N 3.21Å; D192-R194 VanDerWaalsContact OD1-CB 3.29Å; D192-R194 WeakPolarHBondContact OD1-CB 3.42Å; D192-R194 VanDerWaalsContact OD1-CG 3.31Å; D192-R194 WeakPolarHBondContact OD1-CG 3.45Å; D192-R194 IonicContact OD1-CZ 3.89Å; D192-R194 PolarHBondContact OD1-N 3.06Å; D192-R194 IonicContact OD1-NE 3.36Å; D192-R194 PolarHBondContact OD1-NE 3.04Å; D192-R194 IonicContact OD1-NH2 2.78Å; D192-R194 IonicContact OD2-CZ 3.47Å; D192-R194 IonicContact OD2-NE 3.13Å; D192-R194 PolarHBondContact OD2-NE 3.01Å; D192-R194 IonicContact OD2-NH2 3.71Å; D192-R194 PolarHBondContact OD2-NH2 2.71Å; D192-E195 HydrophobicContact CB-CG 4.17Å; D192-E195 WeakPolarHBondContact O-CB 3.34Å; D192-E195 PolarHBondContact O-N 2.89Å |
| 193 | P | 84.4 | Confident | 75.3 | Confident | 39 Ų | 39 | 83 Ų | 83 | 25% | 0.253 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -55.5 | -22.7 | 176.6 | -23.3 | 32.6 | 0 | 0 | 0 | 113.7 | W191 E195 V196 F260 A262 T263 | W191-P193 WeakPolarHBondContact O-CD 3.44Å; P193-E195 PolarHBondContact O-N 3.15Å; P193-V196 PolarHBondContact O-N 3.06Å; P193-F260 HydrophobicContact CB-CD1 4.08Å; P193-F260 HydrophobicContact CB-CE1 4.42Å; P193-F260 HydrophobicContact CB-CG 4.43Å; P193-F260 HydrophobicContact CG-CB 4.31Å; P193-F260 HydrophobicContact CG-CD1 3.69Å; P193-F260 HydrophobicContact CG-CE1 4.34Å; P193-F260 HydrophobicContact CG-CG 4.2Å; P193-A262 HydrophobicContact CG-CB 4.37Å; P193-T263 HydrophobicContact CB-CG2 3.7Å; P193-T263 HydrophobicContact CG-CG2 3.76Å |
| 194 | R | 86.1 | Confident | 77.2 | Confident | 213 Ų | 213 | 86.7 Ų | 86.7 | 80% | 0.804 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -69.8 | -14.7 | 177.5 | -61.6 | 175.5 | -69 | -176.8 | 2.6 | 113.6 | D192 V196 | D192-R194 VanDerWaalsContact CG-NE 3.32Å; D192-R194 PolarHBondContact O-N 3.21Å; D192-R194 VanDerWaalsContact OD1-CB 3.29Å; D192-R194 WeakPolarHBondContact OD1-CB 3.42Å; D192-R194 VanDerWaalsContact OD1-CG 3.31Å; D192-R194 WeakPolarHBondContact OD1-CG 3.45Å; D192-R194 IonicContact OD1-CZ 3.89Å; D192-R194 PolarHBondContact OD1-N 3.06Å; D192-R194 IonicContact OD1-NE 3.36Å; D192-R194 PolarHBondContact OD1-NE 3.04Å; D192-R194 IonicContact OD1-NH2 2.78Å; D192-R194 IonicContact OD2-CZ 3.47Å; D192-R194 IonicContact OD2-NE 3.13Å; D192-R194 PolarHBondContact OD2-NE 3.01Å; D192-R194 IonicContact OD2-NH2 3.71Å; D192-R194 PolarHBondContact OD2-NH2 2.71Å; R194-V196 PolarHBondContact O-N 3.04Å |
| 195 | E | 86 | Confident | 78.7 | Confident | 70 Ų | 70 | 87.9 Ų | 87.9 | 33% | 0.327 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -78.1 | -7.1 | 174.1 | -69.8 | 177.7 | -154.4 | 0 | 0 | 113 | D192 P193 F215 R216 | D192-E195 HydrophobicContact CB-CG 4.17Å; D192-E195 WeakPolarHBondContact O-CB 3.34Å; D192-E195 PolarHBondContact O-N 2.89Å; P193-E195 PolarHBondContact O-N 3.15Å; E195-F215 HydrophobicContact CB-CD2 3.96Å; E195-F215 HydrophobicContact CB-CE2 3.63Å; E195-R216 IonicContact OE1-NH2 3.95Å; E195-R216 IonicContact OE2-CZ 3.27Å; E195-R216 VanDerWaalsContact OE2-CZ 3.31Å; E195-R216 IonicContact OE2-NE 2.7Å; E195-R216 PolarHBondContact OE2-NE 3.19Å; E195-R216 IonicContact OE2-NH2 3.38Å; E195-R216 PolarHBondContact OE2-NH2 3.31Å |
| 196 | V | 88.7 | Confident | 80.2 | Confident | 24 Ų | 24 | 88.3 Ų | 88.3 | 15% | 0.145 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.4 | 177.3 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | P193 R194 L198 S214 F215 V222 F260 | P193-V196 PolarHBondContact O-N 3.06Å; R194-V196 PolarHBondContact O-N 3.04Å; V196-L198 HydrophobicContact CG1-CD2 3.98Å; V196-L198 HydrophobicContact CG1-CG 4.36Å; V196-S214 WeakPolarHBondContact CA-O 3.33Å; V196-F215 HydrophobicContact CG2-CB 4.26Å; V196-F215 HydrophobicContact CG2-CD2 3.48Å; V196-F215 VanDerWaalsContact CG2-CD2 3.48Å; V196-F215 HydrophobicContact CG2-CE2 4.17Å; V196-F215 HydrophobicContact CG2-CG 4.17Å; V196-V222 HydrophobicContact CG1-CG2 3.72Å; V196-F260 HydrophobicContact CG2-CE2 3.53Å; V196-F260 HydrophobicContact CG2-CZ 3.44Å; V196-F260 VanDerWaalsContact CG2-CZ 3.44Å |
| 197 | E | 92.7 | Very high | 81.8 | Confident | 137 Ų | 137 | 85.5 Ų | 85.5 | 64% | 0.64 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 110.8 | 171.4 | -174.5 | 177.7 | -174.1 | 0 | 0 | 109.4 | G213 S214 | E197-G213 CarbonylContact O-C 3.57Å; E197-G213 WeakPolarHBondContact O-CA 3.42Å; E197-S214 PolarHBondContact N-O 3.1Å; E197-S214 PolarHBondContact O-N 3.42Å |
| 198 | L | 93.8 | Very high | 83.9 | Confident | 84 Ų | 84 | 77.6 Ų | 77.6 | 44% | 0.44 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 131 | 178.4 | -61.8 | 169.8 | 0 | 0 | 0 | 110.2 | V196 L211 V222 M224 | V196-L198 HydrophobicContact CG1-CD2 3.98Å; V196-L198 HydrophobicContact CG1-CG 4.36Å; L198-L211 HydrophobicContact CD1-CD1 4.01Å; L198-L211 HydrophobicContact CD2-CB 3.98Å; L198-L211 HydrophobicContact CD2-CD1 4.14Å; L198-V222 HydrophobicContact CD2-CB 3.94Å; L198-V222 HydrophobicContact CD2-CG1 4.33Å; L198-V222 HydrophobicContact CD2-CG2 3.78Å; L198-M224 HydrophobicContact CD1-CE 3.78Å |
| 199 | T | 92.7 | Very high | 86.2 | Confident | 90 Ų | 90 | 76.2 Ų | 76.2 | 55% | 0.552 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | -18 | -173.1 | 59 | 0 | 0 | 0 | 0 | 113.9 | K212 | T199-K212 PolarHBondContact N-O 3.36Å; T199-K212 WeakPolarHBondContact OG1-CG 3.47Å; T199-K212 PolarHBondContact OG1-O 2.69Å |
| 200 | G | 91.4 | Very high | 88.4 | Confident | 35 Ų | 35 | 70.7 Ų | 70.7 | 36% | 0.361 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 176 | 162.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L211 K212 | G200-L211 CarbonylContact O-C 3.54Å; G200-L211 WeakPolarHBondContact O-CA 3Å; G200-K212 PolarHBondContact N-O 3.12Å; G200-K212 PolarHBondContact O-N 3.43Å |
| 201 | A | 92.9 | Very high | 90.1 | Very high | 81 Ų | 81 | 66.1 Ų | 66.1 | 67% | 0.669 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 138.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L211 | A201-L211 HydrophobicContact CB-CD2 3.92Å |
| 202 | L | 91.9 | Very high | 91.1 | Very high | 84 Ų | 84 | 67 Ų | 67 | 44% | 0.44 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -46.9 | 176.9 | -65.2 | 175 | 0 | 0 | 0 | 111.2 | V210 K212 V221 F272 | L202-V210 HydrophobicContact CB-CG1 4.22Å; L202-V210 WeakPolarHBondContact CB-O 3.47Å; L202-V210 HydrophobicContact CD1-CG1 4.3Å; L202-V210 PolarHBondContact N-O 3.4Å; L202-K212 HydrophobicContact CD1-CB 3.91Å; L202-K212 HydrophobicContact CD2-CB 4.03Å; L202-K212 HydrophobicContact CG-CB 3.89Å; L202-V221 HydrophobicContact CD1-CG2 3.84Å; L202-F272 HydrophobicContact CD1-CD2 4.28Å; L202-F272 HydrophobicContact CD1-CE2 4.1Å; L202-F272 HydrophobicContact CD2-CE2 4.33Å |
| 203 | A | 91.7 | Very high | 91.6 | Very high | 52 Ų | 52 | 65.2 Ų | 65.2 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 148.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V210 | A203-V210 HydrophobicContact CB-CB 4.19Å; A203-V210 HydrophobicContact CB-CG2 4.43Å; A203-V210 PolarHBondContact N-O 2.95Å; A203-V210 VanDerWaalsContact N-O 3.1Å; A203-V210 PolarHBondContact O-N 3.42Å |
| 204 | D | 93.1 | Very high | 91.9 | Very high | 111 Ų | 111 | 64.9 Ų | 64.9 | 59% | 0.594 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 93.2 | 171.4 | -167.8 | 37.5 | 0 | 0 | 0 | 111.1 | K226 | D204-K226 WeakPolarHBondContact OD1-CE 3.47Å; D204-K226 IonicContact OD1-NZ 2.76Å; D204-K226 PolarHBondContact OD1-NZ 2.68Å; D204-K226 IonicContact OD2-NZ 2.76Å; D204-K226 PolarHBondContact OD2-NZ 2.78Å |
| 205 | G | 89.9 | Confident | 91.8 | Very high | 34 Ų | 34 | 54.7 Ų | 54.7 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | trans | -90.5 | 176.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A208 K226 | G205-A208 CarbonylContact C-O 3.58Å; G205-A208 WeakPolarHBondContact CA-O 3.48Å; G205-A208 PolarHBondContact N-O 2.91Å; G205-K226 WeakPolarHBondContact O-CD 3.48Å; G205-K226 WeakPolarHBondContact O-CE 3.4Å; G205-K226 PolarHBondContact O-NZ 2.93Å | ||
| 206 | H | 88.7 | Confident | 91.3 | Very high | 136 Ų | 136 | 55.5 Ų | 55.5 | 63% | 0.63 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -67.3 | -36.6 | 175.7 | -64.5 | -63.5 | 0 | 0 | 0 | 113 | Y386 | H206-Y386 HydrophobicContact CB-CD1 4.01Å; H206-Y386 HydrophobicContact CB-CD2 4.27Å; H206-Y386 HydrophobicContact CB-CE1 3.48Å; H206-Y386 VanDerWaalsContact CB-CE1 3.48Å; H206-Y386 HydrophobicContact CB-CE2 3.78Å; H206-Y386 HydrophobicContact CB-CG 4.37Å; H206-Y386 AromaticContact CD2-CD1 3.2Å; H206-Y386 WeakPolarHBondContact CD2-CD1 3.47Å; H206-Y386 AromaticContact CD2-CE1 3.28Å; H206-Y386 WeakPolarHBondContact CD2-CE1 3.47Å; H206-Y386 AromaticContact CD2-CG 3.97Å; H206-Y386 AromaticContact CG-CD1 3.77Å; H206-Y386 AromaticContact CG-CE1 3.36Å; H206-Y386 AromaticContact CG-CZ 3.81Å; H206-Y386 AromaticContact NE2-CD1 3.98Å |
| 207 | G | 89.6 | Confident | 90.7 | Very high | 6 Ų | 6 | 65.7 Ų | 65.7 | 6% | 0.062 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -92.3 | -28.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | K226 H380 E381 | G207-K226 WeakPolarHBondContact O-CB 3.35Å; G207-K226 PolarHBondContact O-N 3.3Å; G207-H380 PolarHBondContact O-CE1 2.8Å; G207-H380 PolarHBondContact O-NE2 3.07Å; G207-E381 WeakPolarHBondContact CA-OE1 3.23Å; G207-E381 PolarHBondContact N-OE1 2.69Å; G207-E381 VanDerWaalsContact N-OE1 3.16Å |
| 208 | A | 93.9 | Very high | 90.1 | Very high | 7 Ų | 7 | 60.9 Ų | 60.9 | 6% | 0.058 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 156.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G205 K223 M224 L225 | G205-A208 CarbonylContact C-O 3.58Å; G205-A208 WeakPolarHBondContact CA-O 3.48Å; G205-A208 PolarHBondContact N-O 2.91Å; A208-K223 HydrophobicContact CB-CD 4.23Å; A208-K223 HydrophobicContact CB-CG 3.61Å; A208-M224 CarbonylContact C-O 3.56Å; A208-M224 WeakPolarHBondContact CA-O 3.43Å; A208-M224 WeakPolarHBondContact CB-O 3.45Å; A208-L225 HydrophobicContact CB-CD2 4.18Å |
| 209 | E | 95.4 | Very high | 89.9 | Confident | 56 Ų | 56 | 60.7 Ų | 60.7 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 134.6 | 165.3 | -177.9 | -179.7 | -173.6 | 0 | 0 | 107.3 | L211 K223 M224 R265 | E209-L211 HydrophobicContact CG-CD2 4.06Å; E209-L211 HydrophobicContact CG-CG 4.2Å; E209-K223 CarbonylContact O-C 3.57Å; E209-M224 HydrophobicContact CB-CB 4.48Å; E209-M224 PolarHBondContact N-O 3.41Å; E209-M224 PolarHBondContact O-N 3.37Å; E209-R265 IonicContact OE2-CZ 2.99Å; E209-R265 IonicContact OE2-NH1 3.8Å; E209-R265 PolarHBondContact OE2-NH1 3.41Å; E209-R265 IonicContact OE2-NH2 3.58Å |
| 210 | V | 95.9 | Very high | 89.9 | Confident | 35 Ų | 35 | 56.4 Ų | 56.4 | 21% | 0.212 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 121.3 | -175.3 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | L202 A203 V221 K223 | L202-V210 HydrophobicContact CB-CG1 4.22Å; L202-V210 WeakPolarHBondContact CB-O 3.47Å; L202-V210 HydrophobicContact CD1-CG1 4.3Å; L202-V210 PolarHBondContact N-O 3.4Å; A203-V210 HydrophobicContact CB-CB 4.19Å; A203-V210 HydrophobicContact CB-CG2 4.43Å; A203-V210 PolarHBondContact N-O 2.95Å; A203-V210 VanDerWaalsContact N-O 3.1Å; A203-V210 PolarHBondContact O-N 3.42Å; V210-V221 HydrophobicContact CG1-CG1 3.33Å; V210-K223 HydrophobicContact CG2-CG 4.28Å |
| 211 | L | 95.9 | Very high | 90 | Very high | 17 Ų | 17 | 55.5 Ų | 55.5 | 9% | 0.089 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 144.1 | -173.6 | -57.9 | 165.6 | 0 | 0 | 0 | 109.3 | L198 G200 A201 E209 V221 V222 M224 | L198-L211 HydrophobicContact CD1-CD1 4.01Å; L198-L211 HydrophobicContact CD2-CB 3.98Å; L198-L211 HydrophobicContact CD2-CD1 4.14Å; G200-L211 CarbonylContact O-C 3.54Å; G200-L211 WeakPolarHBondContact O-CA 3Å; A201-L211 HydrophobicContact CB-CD2 3.92Å; E209-L211 HydrophobicContact CG-CD2 4.06Å; E209-L211 HydrophobicContact CG-CG 4.2Å; L211-V221 CarbonylContact O-C 3.35Å; L211-V221 WeakPolarHBondContact O-CA 3.43Å; L211-V222 HydrophobicContact CB-CB 4.47Å; L211-V222 PolarHBondContact N-O 3.39Å; L211-V222 PolarHBondContact O-N 3.12Å; L211-M224 HydrophobicContact CD1-CE 3.53Å; L211-M224 HydrophobicContact CD1-CG 4.08Å; L211-M224 HydrophobicContact CD1-SD 3.61Å |
| 212 | K | 95.5 | Very high | 90.2 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 142.3 | 167.2 | -168.4 | 174.8 | -178.6 | 171.7 | 0 | 108.9 | T199 G200 L202 F272 | T199-K212 PolarHBondContact N-O 3.36Å; T199-K212 WeakPolarHBondContact OG1-CG 3.47Å; T199-K212 PolarHBondContact OG1-O 2.69Å; G200-K212 PolarHBondContact N-O 3.12Å; G200-K212 PolarHBondContact O-N 3.43Å; L202-K212 HydrophobicContact CD1-CB 3.91Å; L202-K212 HydrophobicContact CD2-CB 4.03Å; L202-K212 HydrophobicContact CG-CB 3.89Å; K212-F272 HydrophobicContact CD-CD2 4.19Å; K212-F272 HydrophobicContact CD-CE2 3.9Å; K212-F272 HydrophobicContact CD-CZ 4.16Å; K212-F272 HydrophobicContact CG-CD2 4.07Å; K212-F272 HydrophobicContact CG-CE2 4.21Å |
| 213 | G | 92.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | -169.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | E197 V220 | E197-G213 CarbonylContact O-C 3.57Å; E197-G213 WeakPolarHBondContact O-CA 3.42Å; G213-V220 PolarHBondContact N-O 2.7Å; G213-V220 PolarHBondContact O-N 3.27Å |
| 214 | S | 90.3 | Very high | 90.5 | Very high | 31 Ų | 31 | 48.3 Ų | 48.3 | 22% | 0.217 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 130.1 | 172.7 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | V196 E197 R217 C218 | V196-S214 WeakPolarHBondContact CA-O 3.33Å; E197-S214 PolarHBondContact N-O 3.1Å; E197-S214 PolarHBondContact O-N 3.42Å; S214-R217 WeakPolarHBondContact OG-CA 3.41Å; S214-C218 CarbonylContact C-O 3.45Å; S214-C218 WeakPolarHBondContact CA-O 3.25Å |
| 215 | F | 84.8 | Confident | 90.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 118.3 | 174.1 | 178.8 | -119.1 | 0 | 0 | 0 | 107.8 | Y184 W191 E195 V196 R217 C218 V220 F260 | Y184-F215 HydrophobicContact CD1-CE1 4.29Å; Y184-F215 HydrophobicContact CE1-CD1 4.03Å; Y184-F215 HydrophobicContact CE1-CE1 4.02Å; W191-F215 AromaticContact CD1-CZ 4Å; E195-F215 HydrophobicContact CB-CD2 3.96Å; E195-F215 HydrophobicContact CB-CE2 3.63Å; V196-F215 HydrophobicContact CG2-CB 4.26Å; V196-F215 HydrophobicContact CG2-CD2 3.48Å; V196-F215 VanDerWaalsContact CG2-CD2 3.48Å; V196-F215 HydrophobicContact CG2-CE2 4.17Å; V196-F215 HydrophobicContact CG2-CG 4.17Å; F215-R217 PolarHBondContact O-N 2.96Å; F215-C218 PolarHBondContact N-O 2.93Å; F215-C218 WeakPolarHBondContact O-CB 3.28Å; F215-C218 PolarHBondContact O-N 3.27Å; F215-V220 HydrophobicContact CB-CB 4.47Å; F215-V220 HydrophobicContact CB-CG1 3.94Å; F215-V220 HydrophobicContact CB-CG2 3.73Å; F215-F260 HydrophobicContact CE2-CZ 4.18Å |
| 216 | R | 76.4 | Confident | 90.7 | Very high | 87 Ų | 87 | 44.9 Ų | 44.9 | 33% | 0.328 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 40.2 | -175 | -59.5 | -179.7 | 173.6 | -167.3 | -12.5 | 113.4 | L183 E195 C218 | L183-R216 HydrophobicContact CD2-CB 3.82Å; L183-R216 HydrophobicContact CD2-CG 4.43Å; L183-R216 PolarHBondContact O-NH1 3.15Å; E195-R216 IonicContact OE1-NH2 3.95Å; E195-R216 IonicContact OE2-CZ 3.27Å; E195-R216 VanDerWaalsContact OE2-CZ 3.31Å; E195-R216 IonicContact OE2-NE 2.7Å; E195-R216 PolarHBondContact OE2-NE 3.19Å; E195-R216 IonicContact OE2-NH2 3.38Å; E195-R216 PolarHBondContact OE2-NH2 3.31Å; R216-C218 PolarHBondContact O-N 3.12Å |
| 217 | R | 76.1 | Confident | 90.8 | Very high | 238 Ų | 238 | 40.2 Ų | 40.2 | 90% | 0.898 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 8.5 | -177 | -50.9 | 179.5 | 179 | 178.6 | -0.2 | 115.6 | S214 F215 | S214-R217 WeakPolarHBondContact OG-CA 3.41Å; F215-R217 PolarHBondContact O-N 2.96Å |
| 218 | C | 80 | Confident | 90.6 | Very high | 36 Ų | 36 | 51.6 Ų | 51.6 | 24% | 0.243 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 130.3 | 172.1 | -65.6 | 0 | 0 | 0 | 0 | 109.8 | S214 F215 R216 V220 | S214-C218 CarbonylContact C-O 3.45Å; S214-C218 WeakPolarHBondContact CA-O 3.25Å; F215-C218 PolarHBondContact N-O 2.93Å; F215-C218 WeakPolarHBondContact O-CB 3.28Å; F215-C218 PolarHBondContact O-N 3.27Å; R216-C218 PolarHBondContact O-N 3.12Å; C218-V220 PolarHBondContact O-N 3.02Å |
| 219 | P | 89.1 | Confident | 90.1 | Very high | 80 Ų | 80 | 58 Ų | 58 | 52% | 0.519 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 126.5 | 170.9 | -23 | 33.9 | 0 | 0 | 0 | 111.1 | F272 | P219-F272 HydrophobicContact CB-CB 3.96Å; P219-F272 HydrophobicContact CB-CD1 4.49Å; P219-F272 PolarHBondContact O-N 3.4Å; P219-F272 VanDerWaalsContact O-N 3.16Å |
| 220 | V | 92.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 161.1 | -177 | -68.1 | 0 | 0 | 0 | 0 | 111.9 | G213 F215 C218 V222 L257 V269 S270 | G213-V220 PolarHBondContact N-O 2.7Å; G213-V220 PolarHBondContact O-N 3.27Å; F215-V220 HydrophobicContact CB-CB 4.47Å; F215-V220 HydrophobicContact CB-CG1 3.94Å; F215-V220 HydrophobicContact CB-CG2 3.73Å; C218-V220 PolarHBondContact O-N 3.02Å; V220-V222 HydrophobicContact CG2-CG2 4.31Å; V220-L257 HydrophobicContact CG1-CD1 4.15Å; V220-V269 HydrophobicContact CB-CG1 3.69Å; V220-V269 HydrophobicContact CG1-CG1 3.76Å; V220-V269 HydrophobicContact CG2-CG1 3.97Å; V220-S270 CarbonylContact C-O 3.16Å; V220-S270 VanDerWaalsContact CA-O 3.25Å; V220-S270 WeakPolarHBondContact CA-O 3.44Å; V220-S270 VanDerWaalsContact CB-O 3.25Å; V220-S270 WeakPolarHBondContact CB-O 3.46Å |
| 221 | V | 95.1 | Very high | 89.5 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 133.1 | 163.6 | 172.6 | 0 | 0 | 0 | 0 | 108.5 | L202 V210 L211 V269 S270 F272 | L202-V221 HydrophobicContact CD1-CG2 3.84Å; V210-V221 HydrophobicContact CG1-CG1 3.33Å; L211-V221 CarbonylContact O-C 3.35Å; L211-V221 WeakPolarHBondContact O-CA 3.43Å; V221-V269 VanDerWaalsContact O-CA 3.31Å; V221-V269 WeakPolarHBondContact O-CA 3.36Å; V221-S270 PolarHBondContact N-O 2.83Å; V221-S270 PolarHBondContact O-N 3.28Å; V221-F272 HydrophobicContact CG2-CB 4.35Å; V221-F272 HydrophobicContact CG2-CD2 3.81Å |
| 222 | V | 95 | Very high | 89.3 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 110.1 | 174.2 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | V196 L198 L211 V220 M224 C267 L268 | V196-V222 HydrophobicContact CG1-CG2 3.72Å; L198-V222 HydrophobicContact CD2-CB 3.94Å; L198-V222 HydrophobicContact CD2-CG1 4.33Å; L198-V222 HydrophobicContact CD2-CG2 3.78Å; L211-V222 HydrophobicContact CB-CB 4.47Å; L211-V222 PolarHBondContact N-O 3.39Å; L211-V222 PolarHBondContact O-N 3.12Å; V220-V222 HydrophobicContact CG2-CG2 4.31Å; V222-M224 HydrophobicContact CG1-CE 4.11Å; V222-M224 HydrophobicContact CG1-CG 4.17Å; V222-C267 HydrophobicContact CG1-CB 4.21Å; V222-L268 CarbonylContact C-O 3.39Å; V222-L268 WeakPolarHBondContact CA-O 3.36Å |
| 223 | K | 95.8 | Very high | 89.1 | Confident | 26 Ų | 26 | 69.6 Ų | 69.6 | 11% | 0.113 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 106.4 | 177.1 | -174.9 | 173.3 | -178.3 | -175.9 | 0 | 109.8 | A208 E209 V210 C267 L268 A373 D374 | A208-K223 HydrophobicContact CB-CD 4.23Å; A208-K223 HydrophobicContact CB-CG 3.61Å; E209-K223 CarbonylContact O-C 3.57Å; V210-K223 HydrophobicContact CG2-CG 4.28Å; K223-C267 CarbonylContact O-C 3.6Å; K223-C267 VanDerWaalsContact O-CA 3.32Å; K223-C267 WeakPolarHBondContact O-CA 3.38Å; K223-L268 HydrophobicContact CB-CB 4.36Å; K223-L268 PolarHBondContact N-O 3.35Å; K223-L268 PolarHBondContact O-N 3.25Å; K223-A373 HydrophobicContact CD-CB 4.43Å; K223-A373 WeakPolarHBondContact CD-O 3.49Å; K223-A373 PolarHBondContact NZ-O 2.96Å; K223-D374 IonicContact NZ-OD1 2.72Å; K223-D374 PolarHBondContact NZ-OD1 2.95Å |
| 224 | M | 95 | Very high | 89.1 | Confident | 38 Ų | 38 | 71.2 Ų | 71.2 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 113.9 | 179.1 | -57.6 | -166.4 | 168.9 | 0 | 0 | 110.1 | L198 A208 E209 L211 V222 K226 R265 | L198-M224 HydrophobicContact CD1-CE 3.78Å; A208-M224 CarbonylContact C-O 3.56Å; A208-M224 WeakPolarHBondContact CA-O 3.43Å; A208-M224 WeakPolarHBondContact CB-O 3.45Å; E209-M224 HydrophobicContact CB-CB 4.48Å; E209-M224 PolarHBondContact N-O 3.41Å; E209-M224 PolarHBondContact O-N 3.37Å; L211-M224 HydrophobicContact CD1-CE 3.53Å; L211-M224 HydrophobicContact CD1-CG 4.08Å; L211-M224 HydrophobicContact CD1-SD 3.61Å; V222-M224 HydrophobicContact CG1-CE 4.11Å; V222-M224 HydrophobicContact CG1-CG 4.17Å; M224-K226 PolarHBondContact O-N 3.15Å; M224-R265 PolarHBondContact O-NH2 3.36Å |
| 225 | L | 95.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 134.1 | -179.1 | -58 | -174.3 | 0 | 0 | 0 | 111.4 | A208 L227 F238 R265 L266 L268 F377 F379 | A208-L225 HydrophobicContact CB-CD2 4.18Å; L225-L227 HydrophobicContact CB-CG 4.41Å; L225-L227 PolarHBondContact O-N 2.99Å; L225-F238 HydrophobicContact CD1-CD2 4.37Å; L225-F238 HydrophobicContact CD1-CE2 3.97Å; L225-R265 PolarHBondContact O-NE 3.26Å; L225-L266 WeakPolarHBondContact CB-O 3.49Å; L225-L266 HydrophobicContact CD1-CB 4.22Å; L225-L266 PolarHBondContact N-O 3.29Å; L225-L268 HydrophobicContact CD1-CD1 4.19Å; L225-L268 HydrophobicContact CD2-CD1 3.76Å; L225-L268 HydrophobicContact CG-CD1 3.92Å; L225-F377 HydrophobicContact CD1-CD2 4.14Å; L225-F377 HydrophobicContact CD1-CE2 4.49Å; L225-F379 HydrophobicContact CD1-CE2 4.24Å; L225-F379 HydrophobicContact CD1-CZ 4.46Å |
| 226 | K | 93.3 | Very high | 89.4 | Confident | 70 Ų | 70 | 77.1 Ų | 77.1 | 30% | 0.304 | 36% | 0.363 | S | S | . | . | trans | -85.3 | 103 | 171.1 | -68.7 | -176.7 | 177.5 | 177.2 | 0 | 109 | D204 G205 G207 M224 | D204-K226 WeakPolarHBondContact OD1-CE 3.47Å; D204-K226 IonicContact OD1-NZ 2.76Å; D204-K226 PolarHBondContact OD1-NZ 2.68Å; D204-K226 IonicContact OD2-NZ 2.76Å; D204-K226 PolarHBondContact OD2-NZ 2.78Å; G205-K226 WeakPolarHBondContact O-CD 3.48Å; G205-K226 WeakPolarHBondContact O-CE 3.4Å; G205-K226 PolarHBondContact O-NZ 2.93Å; G207-K226 WeakPolarHBondContact O-CB 3.35Å; G207-K226 PolarHBondContact O-N 3.3Å; M224-K226 PolarHBondContact O-N 3.15Å | ||
| 227 | L | 89.7 | Confident | 90.2 | Very high | 39 Ų | 39 | 74.2 Ų | 74.2 | 20% | 0.204 | 35% | 0.354 | C | S | . | . | trans | -115.8 | 137.1 | 174 | -59.8 | 176.3 | 0 | 0 | 0 | 108.8 | L225 C230 L266 F379 | L225-L227 HydrophobicContact CB-CG 4.41Å; L225-L227 PolarHBondContact O-N 2.99Å; L227-C230 HydrophobicContact CD1-CB 4.17Å; L227-L266 HydrophobicContact CD1-CD1 3.82Å; L227-L266 HydrophobicContact CD1-CG 4.08Å; L227-F379 HydrophobicContact CD1-CD2 4.39Å; L227-F379 HydrophobicContact CD1-CE2 4.02Å; L227-F379 HydrophobicContact CD2-CD2 3.93Å; L227-F379 HydrophobicContact CD2-CE2 4.04Å | ||
| 228 | R | 84.8 | Confident | 90.9 | Very high | 244 Ų | 244 | 62.9 Ų | 62.9 | 92% | 0.921 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -60.4 | -48.4 | 176.5 | -72.7 | -175 | 178.9 | 179.9 | -0.4 | 111.2 | ||
| 229 | N | 84.8 | Confident | 91.4 | Very high | 141 Ų | 141 | 66.3 Ų | 66.3 | 75% | 0.754 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -142.8 | 127.9 | 172 | -73.4 | -30.8 | 0 | 0 | 0 | 107.1 | Q234 | N229-Q234 PolarHBondContact O-OE1 3.29Å; N229-Q234 VanDerWaalsContact O-OE1 3.06Å |
| 230 | C | 88.3 | Confident | 91.4 | Very high | 55 Ų | 55 | 67.3 Ų | 67.3 | 37% | 0.372 | 32% | 0.323 | S | S | . | . | trans | -88.5 | 112.5 | 173.4 | -172 | 0 | 0 | 0 | 0 | 109.4 | L227 | L227-C230 HydrophobicContact CD1-CB 4.17Š| ||
| 231 | S | 90.5 | Very high | 91.3 | Very high | 53 Ų | 53 | 68.3 Ų | 68.3 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | trans | -87.4 | 154.9 | 174.9 | 63.7 | 0 | 0 | 0 | 0 | 111.6 | R233 Q234 A235 | S231-R233 PolarHBondContact O-N 2.9Å; S231-R233 VanDerWaalsContact O-N 3.14Å; S231-Q234 WeakPolarHBondContact O-CB 3.48Å; S231-Q234 PolarHBondContact O-N 3.06Å; S231-Q234 VanDerWaalsContact OG-CG 3.29Å; S231-Q234 WeakPolarHBondContact OG-CG 3.33Å; S231-Q234 PolarHBondContact OG-N 3.46Å; S231-Q234 PolarHBondContact OG-OE1 3.44Å; S231-A235 PolarHBondContact O-N 3.46Å | ||
| 232 | T | 90 | Very high | 91 | Very high | 129 Ų | 129 | 67.9 Ų | 67.9 | 79% | 0.791 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -53.2 | -36 | 173.1 | -45.9 | 0 | 0 | 0 | 0 | 112.1 | A235 R236 | T232-A235 PolarHBondContact O-N 2.9Å; T232-R236 PolarHBondContact O-N 3.36Å |
| 233 | R | 92.1 | Very high | 90.6 | Very high | 171 Ų | 171 | 70 Ų | 70 | 65% | 0.645 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.5 | -46.6 | 174.8 | 179.7 | 175.1 | 177.1 | 171.5 | 3.7 | 111.9 | S231 A235 R236 D237 | S231-R233 PolarHBondContact O-N 2.9Å; S231-R233 VanDerWaalsContact O-N 3.14Å; R233-A235 VanDerWaalsContact C-N 3.35Å; R233-R236 PolarHBondContact O-N 2.93Å; R233-D237 IonicContact NE-OD2 3.26Å; R233-D237 WeakPolarHBondContact O-CB 3.37Å; R233-D237 PolarHBondContact O-N 2.93Å |
| 234 | Q | 92.2 | Very high | 90.1 | Very high | 38 Ų | 38 | 73.6 Ų | 73.6 | 18% | 0.178 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65 | -39.5 | 178.1 | -71.2 | 165.2 | -55.8 | 0 | 0 | 111.9 | N229 S231 R236 D237 F238 F379 | N229-Q234 PolarHBondContact O-OE1 3.29Å; N229-Q234 VanDerWaalsContact O-OE1 3.06Å; S231-Q234 WeakPolarHBondContact O-CB 3.48Å; S231-Q234 PolarHBondContact O-N 3.06Å; S231-Q234 VanDerWaalsContact OG-CG 3.29Å; S231-Q234 WeakPolarHBondContact OG-CG 3.33Å; S231-Q234 PolarHBondContact OG-N 3.46Å; S231-Q234 PolarHBondContact OG-OE1 3.44Å; Q234-R236 VanDerWaalsContact C-N 3.31Å; Q234-R236 PolarHBondContact O-N 3.33Å; Q234-D237 PolarHBondContact O-N 2.86Å; Q234-F238 VanDerWaalsContact O-CB 3.23Å; Q234-F238 WeakPolarHBondContact O-CB 3.42Å; Q234-F238 PolarHBondContact O-N 3.01Å; Q234-F379 HydrophobicContact CB-CD1 4.18Å; Q234-F379 HydrophobicContact CB-CD2 4.24Å; Q234-F379 HydrophobicContact CB-CG 4.04Å; Q234-F379 HydrophobicContact CG-CB 3.72Å; Q234-F379 HydrophobicContact CG-CD1 4.26Å; Q234-F379 HydrophobicContact CG-CD2 4.15Å; Q234-F379 HydrophobicContact CG-CG 3.77Å; Q234-F379 WeakPolarHBondContact O-CE1 3.21Å |
| 235 | A | 91.1 | Very high | 89.9 | Confident | 21 Ų | 21 | 71.8 Ų | 71.8 | 17% | 0.174 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S231 T232 R233 K239 L266 | S231-A235 PolarHBondContact O-N 3.46Å; T232-A235 PolarHBondContact O-N 2.9Å; R233-A235 VanDerWaalsContact C-N 3.35Å; A235-K239 WeakPolarHBondContact O-CG 3.49Å; A235-K239 PolarHBondContact O-N 3.05Å; A235-L266 HydrophobicContact CB-CD2 4.25Å |
| 236 | R | 91.1 | Very high | 89.5 | Confident | 133 Ų | 133 | 72.1 Ų | 72.1 | 50% | 0.502 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.9 | -52.2 | 172.7 | -175.4 | -161 | 63.3 | -162.5 | -1.7 | 111.3 | T232 R233 Q234 F238 K239 D240 | T232-R236 PolarHBondContact O-N 3.36Å; R233-R236 PolarHBondContact O-N 2.93Å; Q234-R236 VanDerWaalsContact C-N 3.31Å; Q234-R236 PolarHBondContact O-N 3.33Å; R236-F238 PolarHBondContact O-N 3.36Å; R236-K239 WeakPolarHBondContact O-CA 3.29Å; R236-K239 WeakPolarHBondContact O-CB 3.29Å; R236-K239 PolarHBondContact O-N 2.77Å; R236-D240 IonicContact NE-OD2 2.57Å; R236-D240 VanDerWaalsContact O-CG 3.29Å; R236-D240 PolarHBondContact O-N 3.08Å |
| 237 | D | 92.1 | Very high | 89.3 | Confident | 26 Ų | 26 | 68.8 Ų | 68.8 | 14% | 0.139 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.5 | -35.1 | -179.7 | -61.2 | -8.8 | 0 | 0 | 0 | 110.7 | R233 Q234 D240 E241 F379 | R233-D237 IonicContact NE-OD2 3.26Å; R233-D237 WeakPolarHBondContact O-CB 3.37Å; R233-D237 PolarHBondContact O-N 2.93Å; Q234-D237 PolarHBondContact O-N 2.86Å; D237-D240 PolarHBondContact O-N 2.61Å; D237-E241 WeakPolarHBondContact O-CB 3.32Å; D237-E241 WeakPolarHBondContact O-CG 3.47Å; D237-E241 PolarHBondContact O-N 3.08Å; D237-F379 HydrophobicContact CB-CD1 4.16Å; D237-F379 HydrophobicContact CB-CE1 4.4Å |
| 238 | F | 92.1 | Very high | 89 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 172.6 | -176.8 | -118.8 | 0 | 0 | 0 | 113.1 | L225 Q234 R236 F242 I259 T261 L266 L268 F377 F379 | L225-F238 HydrophobicContact CD1-CD2 4.37Å; L225-F238 HydrophobicContact CD1-CE2 3.97Å; Q234-F238 VanDerWaalsContact O-CB 3.23Å; Q234-F238 WeakPolarHBondContact O-CB 3.42Å; Q234-F238 PolarHBondContact O-N 3.01Å; R236-F238 PolarHBondContact O-N 3.36Å; F238-F242 WeakPolarHBondContact O-CB 3.24Å; F238-F242 PolarHBondContact O-N 3.12Å; F238-F242 VanDerWaalsContact O-N 3.1Å; F238-I259 HydrophobicContact CD1-CB 4.46Å; F238-I259 HydrophobicContact CD1-CD1 3.87Å; F238-I259 HydrophobicContact CE1-CB 3.59Å; F238-I259 HydrophobicContact CE1-CD1 3.86Å; F238-I259 HydrophobicContact CE1-CG1 4.31Å; F238-I259 HydrophobicContact CE1-CG2 3.78Å; F238-I259 HydrophobicContact CE2-CG2 4.35Å; F238-I259 HydrophobicContact CZ-CB 3.89Å; F238-I259 HydrophobicContact CZ-CG2 3.55Å; F238-T261 HydrophobicContact CD1-CG2 3.76Å; F238-T261 HydrophobicContact CE1-CG2 4.16Å; F238-L266 HydrophobicContact CB-CD1 3.83Å; F238-L266 HydrophobicContact CD1-CB 4.1Å; F238-L266 HydrophobicContact CD1-CD1 4.01Å; F238-L266 HydrophobicContact CD1-CD2 4.11Å; F238-L266 HydrophobicContact CD1-CG 4.3Å; F238-L266 HydrophobicContact CD2-CD1 4.28Å; F238-L266 HydrophobicContact CE1-CB 3.85Å; F238-L266 HydrophobicContact CE1-CD2 4.44Å; F238-L266 HydrophobicContact CE2-CB 4.43Å; F238-L266 HydrophobicContact CG-CB 4.45Å; F238-L266 HydrophobicContact CG-CD1 3.82Å; F238-L266 HydrophobicContact CZ-CB 4.05Å; F238-L268 HydrophobicContact CE2-CD1 4.02Å; F238-L268 HydrophobicContact CE2-CD2 4.46Å; F238-L268 HydrophobicContact CE2-CG 4.07Å; F238-L268 HydrophobicContact CZ-CD1 4.13Å; F238-L268 HydrophobicContact CZ-CG 3.96Å; F238-F377 AromaticContact CD2-CD1 3.63Å; F238-F377 HydrophobicContact CD2-CD1 3.63Å; F238-F377 HydrophobicContact CD2-CD2 4.14Å; F238-F377 AromaticContact CD2-CE1 3.33Å; F238-F377 HydrophobicContact CD2-CE1 3.33Å; F238-F377 AromaticContact CD2-CE2 3.9Å; F238-F377 HydrophobicContact CD2-CE2 3.9Å; F238-F377 HydrophobicContact CD2-CG 4.02Å; F238-F377 AromaticContact CD2-CZ 3.48Å; F238-F377 HydrophobicContact CD2-CZ 3.48Å; F238-F377 VanDerWaalsContact CD2-CZ 3.48Å; F238-F377 HydrophobicContact CE2-CD1 4.31Å; F238-F377 HydrophobicContact CE2-CD2 4.16Å; F238-F377 AromaticContact CE2-CE1 3.73Å; F238-F377 HydrophobicContact CE2-CE1 3.73Å; F238-F377 AromaticContact CE2-CE2 3.58Å; F238-F377 HydrophobicContact CE2-CE2 3.58Å; F238-F377 HydrophobicContact CE2-CG 4.5Å; F238-F377 AromaticContact CE2-CZ 3.32Å; F238-F377 HydrophobicContact CE2-CZ 3.32Å; F238-F377 HydrophobicContact CG-CE1 4.33Å; F238-F377 HydrophobicContact CZ-CZ 4.48Å; F238-F379 HydrophobicContact CB-CE1 3.79Å; F238-F379 HydrophobicContact CB-CZ 3.77Å; F238-F379 HydrophobicContact CD2-CE1 4.5Å; F238-F379 AromaticContact CD2-CZ 3.9Å; F238-F379 HydrophobicContact CD2-CZ 3.9Å; F238-F379 HydrophobicContact CG-CZ 4.2Å |
| 239 | K | 90.1 | Very high | 89 | Confident | 109 Ų | 109 | 56.1 Ų | 56.1 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.4 | -36.3 | 174.3 | -71.9 | -178.4 | 178.4 | -171.6 | 0 | 112.3 | A235 R236 P243 I259 T261 | A235-K239 WeakPolarHBondContact O-CG 3.49Å; A235-K239 PolarHBondContact O-N 3.05Å; R236-K239 WeakPolarHBondContact O-CA 3.29Å; R236-K239 WeakPolarHBondContact O-CB 3.29Å; R236-K239 PolarHBondContact O-N 2.77Å; K239-P243 WeakPolarHBondContact O-CD 3.43Å; K239-I259 HydrophobicContact CG-CD1 3.99Å; K239-T261 HydrophobicContact CD-CG2 4.27Å; K239-T261 VanDerWaalsContact CE-CG2 3.44Å; K239-T261 WeakPolarHBondContact CE-OG1 3.13Å; K239-T261 HydrophobicContact CG-CG2 3.85Å; K239-T261 PolarHBondContact NZ-OG1 2.72Å |
| 240 | D | 88.8 | Confident | 89.1 | Confident | 101 Ų | 101 | 50.5 Ų | 50.5 | 54% | 0.54 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -73.1 | -33.1 | -178.6 | -63.7 | -18.6 | 0 | 0 | 0 | 112 | R236 D237 | R236-D240 IonicContact NE-OD2 2.57Å; R236-D240 VanDerWaalsContact O-CG 3.29Å; R236-D240 PolarHBondContact O-N 3.08Å; D237-D240 PolarHBondContact O-N 2.61Å |
| 241 | E | 90.7 | Very high | 89.1 | Confident | 21 Ų | 21 | 49.3 Ų | 49.3 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -83.5 | -30 | 178.3 | -71.1 | -177 | -111.8 | 0 | 0 | 113.2 | D237 K244 Y375 F377 S378 | D237-E241 WeakPolarHBondContact O-CB 3.32Å; D237-E241 WeakPolarHBondContact O-CG 3.47Å; D237-E241 PolarHBondContact O-N 3.08Å; E241-K244 PolarHBondContact O-N 3.17Å; E241-Y375 VanDerWaalsContact OE2-CE1 3.26Å; E241-Y375 WeakPolarHBondContact OE2-CE1 3.25Å; E241-Y375 PolarHBondContact OE2-OH 3.2Å; E241-F377 HydrophobicContact CB-CD1 3.9Å; E241-F377 HydrophobicContact CB-CE1 3.95Å; E241-S378 WeakPolarHBondContact OE1-CB 3.44Å; E241-S378 PolarHBondContact OE1-N 3.32Å; E241-S378 PolarHBondContact OE1-OG 3.09Å; E241-S378 PolarHBondContact OE2-N 3.43Å |
| 242 | F | 88.6 | Confident | 89.3 | Confident | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.022 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -55.9 | -42 | -173.2 | 160 | -105.3 | 0 | 0 | 0 | 116.3 | L186 W191 F238 K244 L245 R246 V256 I259 | L186-F242 HydrophobicContact CD2-CE1 4Å; W191-F242 AromaticContact CH2-CE1 3.51Å; W191-F242 HydrophobicContact CH2-CE1 3.51Å; W191-F242 AromaticContact CH2-CZ 3.74Å; W191-F242 HydrophobicContact CH2-CZ 3.74Å; W191-F242 HydrophobicContact CZ2-CE1 4.48Å; W191-F242 HydrophobicContact CZ2-CZ 4.42Å; W191-F242 HydrophobicContact CZ3-CE1 4.1Å; W191-F242 HydrophobicContact CZ3-CZ 4.38Å; F238-F242 WeakPolarHBondContact O-CB 3.24Å; F238-F242 PolarHBondContact O-N 3.12Å; F238-F242 VanDerWaalsContact O-N 3.1Å; F242-K244 PolarHBondContact O-N 3.28Å; F242-L245 WeakPolarHBondContact O-CB 3.25Å; F242-L245 PolarHBondContact O-N 3.44Å; F242-R246 HydrophobicContact CE1-CG 4.12Å; F242-R246 HydrophobicContact CE2-CG 3.84Å; F242-R246 VanDerWaalsContact CZ-CD 3.46Å; F242-R246 HydrophobicContact CZ-CG 3.62Å; F242-V256 HydrophobicContact CD2-CB 4.34Å; F242-V256 HydrophobicContact CD2-CG1 3.98Å; F242-V256 HydrophobicContact CE2-CB 3.96Å; F242-V256 HydrophobicContact CE2-CG1 3.57Å; F242-I259 HydrophobicContact CB-CD1 3.75Å; F242-I259 HydrophobicContact CB-CG1 4.41Å; F242-I259 HydrophobicContact CB-CG2 4.27Å; F242-I259 HydrophobicContact CD1-CD1 3.79Å; F242-I259 HydrophobicContact CD1-CG1 3.82Å; F242-I259 HydrophobicContact CD2-CB 4.26Å; F242-I259 HydrophobicContact CD2-CD1 4.37Å; F242-I259 HydrophobicContact CD2-CG1 4.11Å; F242-I259 HydrophobicContact CD2-CG2 3.26Å; F242-I259 HydrophobicContact CE1-CD1 4.5Å; F242-I259 HydrophobicContact CE1-CG1 4.06Å; F242-I259 HydrophobicContact CE2-CB 4.45Å; F242-I259 HydrophobicContact CE2-CG1 4.32Å; F242-I259 HydrophobicContact CE2-CG2 3.63Å; F242-I259 HydrophobicContact CG-CB 4.41Å; F242-I259 HydrophobicContact CG-CD1 3.68Å; F242-I259 HydrophobicContact CG-CG1 3.82Å; F242-I259 HydrophobicContact CG-CG2 3.75Å; F242-I259 HydrophobicContact CZ-CG1 4.26Å; F242-I259 HydrophobicContact CZ-CG2 4.37Å |
| 243 | P | 85.9 | Confident | 89.4 | Confident | 47 Ų | 47 | 40.8 Ų | 40.8 | 31% | 0.305 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -54 | -31.4 | -178.9 | -30.2 | 36.3 | 0 | 0 | 0 | 113.5 | K239 L245 R246 | K239-P243 WeakPolarHBondContact O-CD 3.43Å; P243-L245 PolarHBondContact O-N 3.05Å; P243-L245 VanDerWaalsContact O-N 3.14Å; P243-R246 WeakPolarHBondContact O-CB 3.27Å; P243-R246 PolarHBondContact O-N 3Å |
| 244 | K | 86.2 | Confident | 89.4 | Confident | 102 Ų | 102 | 32.8 Ų | 32.8 | 44% | 0.443 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -67.4 | -14.9 | 178.5 | -58 | 178 | -176.5 | 177 | 0 | 114 | E241 F242 | E241-K244 PolarHBondContact O-N 3.17Å; F242-K244 PolarHBondContact O-N 3.28Å |
| 245 | L | 90.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -96.3 | -5 | -177.5 | -49.6 | -177.6 | 0 | 0 | 0 | 112.2 | F242 P243 I247 V256 L268 V322 M372 Y375 F377 | F242-L245 WeakPolarHBondContact O-CB 3.25Å; F242-L245 PolarHBondContact O-N 3.44Å; P243-L245 PolarHBondContact O-N 3.05Å; P243-L245 VanDerWaalsContact O-N 3.14Å; L245-I247 VanDerWaalsContact C-N 3.3Å; L245-I247 PolarHBondContact O-N 3.27Å; L245-V256 HydrophobicContact CB-CB 4.03Å; L245-V256 HydrophobicContact CB-CG2 3.66Å; L245-V256 HydrophobicContact CD1-CG2 4.1Å; L245-V256 PolarHBondContact O-N 3.47Å; L245-L268 HydrophobicContact CD1-CD2 4.41Å; L245-V322 HydrophobicContact CD2-CG1 4.42Å; L245-M372 HydrophobicContact CB-CB 4.1Å; L245-Y375 HydrophobicContact CD1-CD1 3.96Å; L245-Y375 HydrophobicContact CD1-CG 4.19Å; L245-Y375 HydrophobicContact CD2-CD1 3.9Å; L245-Y375 HydrophobicContact CD2-CD2 3.77Å; L245-Y375 HydrophobicContact CD2-CE2 4.39Å; L245-Y375 HydrophobicContact CD2-CG 3.49Å; L245-Y375 VanDerWaalsContact CD2-CG 3.49Å; L245-Y375 HydrophobicContact CG-CG 4.48Å; L245-F377 HydrophobicContact CD1-CE1 4.1Å; L245-F377 HydrophobicContact CD1-CE2 4.24Å; L245-F377 HydrophobicContact CD1-CZ 3.51Å |
| 246 | R | 88.1 | Confident | 89.4 | Confident | 10 Ų | 10 | 30.3 Ų | 30.3 | 4% | 0.038 | 14% | 0.143 | C | C | . | . | trans | -89 | 59.9 | -179.1 | -71.7 | -173.3 | 63.7 | 107.2 | 0.3 | 111.5 | I23 E24 Y184 F242 P243 F248 V256 L257 | I23-R246 CarbonylContact C-O 3.59Å; E24-R246 HydrophobicContact CG-CB 4.36Å; Y184-R246 PolarHBondContact O-NH1 3.45Å; Y184-R246 VanDerWaalsContact O-NH1 3.08Å; Y184-R246 PolarHBondContact O-NH2 3.07Å; F242-R246 HydrophobicContact CE1-CG 4.12Å; F242-R246 HydrophobicContact CE2-CG 3.84Å; F242-R246 VanDerWaalsContact CZ-CD 3.46Å; F242-R246 HydrophobicContact CZ-CG 3.62Å; P243-R246 WeakPolarHBondContact O-CB 3.27Å; P243-R246 PolarHBondContact O-N 3Å; R246-F248 HydrophobicContact CB-CD2 4.34Å; R246-F248 HydrophobicContact CB-CE2 3.77Å; R246-F248 HydrophobicContact CG-CE2 4.31Å; R246-F248 WeakPolarHBondContact O-CD2 3.47Å; R246-V256 WeakPolarHBondContact CG-O 3.36Å; R246-L257 PolarHBondContact NH1-O 3.48Å | ||
| 247 | I | 87.6 | Confident | 89.2 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -96 | 99.1 | -175.9 | -59.6 | 158.3 | 0 | 0 | 0 | 110 | I23 L245 H250 I253 P255 F314 L315 L320 V322 M372 | I23-I247 HydrophobicContact CB-CG1 4.25Å; I23-I247 HydrophobicContact CD1-CG1 3.96Å; L245-I247 VanDerWaalsContact C-N 3.3Å; L245-I247 PolarHBondContact O-N 3.27Å; I247-H250 HydrophobicContact CG2-CB 4.46Å; I247-I253 HydrophobicContact CB-CG2 3.83Å; I247-I253 HydrophobicContact CD1-CD1 4.38Å; I247-I253 HydrophobicContact CD1-CG2 4.29Å; I247-I253 HydrophobicContact CG2-CB 4.25Å; I247-I253 HydrophobicContact CG2-CD1 3.77Å; I247-I253 HydrophobicContact CG2-CG2 3.94Å; I247-P255 WeakPolarHBondContact O-CB 3.39Å; I247-F314 HydrophobicContact CG2-CD1 4.37Å; I247-F314 HydrophobicContact CG2-CE1 3.57Å; I247-F314 HydrophobicContact CG2-CZ 4.36Å; I247-L315 HydrophobicContact CD1-CD2 3.79Å; I247-L320 HydrophobicContact CD1-CD1 4.36Å; I247-L320 HydrophobicContact CD1-CD2 3.82Å; I247-L320 HydrophobicContact CG1-CD2 4.26Å; I247-V322 HydrophobicContact CD1-CG2 4.45Å; I247-M372 HydrophobicContact CD1-CG 4.16Å; I247-M372 HydrophobicContact CD1-SD 3.82Å | ||
| 248 | F | 84.3 | Confident | 89 | Confident | 15 Ų | 15 | 22.7 Ų | 22.7 | 7% | 0.066 | 11% | 0.113 | C | C | . | . | trans | -103.3 | -5.4 | -174.9 | -65.6 | -85 | 0 | 0 | 0 | 114.5 | I23 D26 R246 P255 L257 | I23-F248 PolarHBondContact O-N 3.44Å; D26-F248 HydrophobicContact CB-CB 3.72Å; D26-F248 HydrophobicContact CB-CD1 4.26Å; D26-F248 HydrophobicContact CB-CG 4.09Å; R246-F248 HydrophobicContact CB-CD2 4.34Å; R246-F248 HydrophobicContact CB-CE2 3.77Å; R246-F248 HydrophobicContact CG-CE2 4.31Å; R246-F248 WeakPolarHBondContact O-CD2 3.47Å; F248-P255 HydrophobicContact CD1-CB 3.98Å; F248-P255 HydrophobicContact CD1-CG 3.51Å; F248-P255 HydrophobicContact CD2-CB 4.48Å; F248-P255 HydrophobicContact CE1-CB 3.78Å; F248-P255 HydrophobicContact CE1-CG 3.47Å; F248-P255 VanDerWaalsContact CE1-CG 3.47Å; F248-P255 HydrophobicContact CE2-CB 4.31Å; F248-P255 HydrophobicContact CG-CB 4.32Å; F248-P255 HydrophobicContact CG-CG 4.23Å; F248-P255 HydrophobicContact CZ-CB 3.94Å; F248-P255 HydrophobicContact CZ-CG 4.16Å; F248-L257 HydrophobicContact CE1-CD2 3.74Å; F248-L257 HydrophobicContact CZ-CD2 4.13Å | ||
| 249 | N | 83.9 | Confident | 88.9 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -104.4 | 20.7 | -171.7 | 65.2 | -9.9 | 0 | 0 | 0 | 113.9 | L20 I23 R56 F314 | L20-N249 PolarHBondContact O-ND2 2.7Å; I23-N249 WeakPolarHBondContact CA-ND2 3.5Å; R56-N249 CarbonylContact O-C 3.51Å; N249-F314 WeakPolarHBondContact OD1-CZ 3.3Å |
| 250 | H | 87.7 | Confident | 88.9 | Confident | 24 Ų | 24 | 18.3 Ų | 18.3 | 11% | 0.111 | 9% | 0.094 | C | C | . | . | trans | -139 | 129.7 | 176.6 | -166.8 | -86.2 | 0 | 0 | 0 | 112.4 | I247 N252 I253 F314 | I247-H250 HydrophobicContact CG2-CB 4.46Å; H250-N252 PolarHBondContact ND1-N 3.23Å; H250-N252 VanDerWaalsContact ND1-N 3.15Å; H250-N252 PolarHBondContact O-N 3.21Å; H250-I253 HydrophobicContact CB-CB 4.31Å; H250-I253 HydrophobicContact CB-CD1 3.93Å; H250-I253 HydrophobicContact CB-CG1 4.16Å; H250-I253 PolarHBondContact O-N 3Å; H250-F314 HydrophobicContact CB-CD1 4.04Å; H250-F314 HydrophobicContact CB-CD2 4.46Å; H250-F314 HydrophobicContact CB-CE1 4.06Å; H250-F314 HydrophobicContact CB-CG 4.22Å; H250-F314 HydrophobicContact CB-CZ 4.3Å; H250-F314 AromaticContact CD2-CD2 3.55Å; H250-F314 AromaticContact CD2-CG 3.49Å; H250-F314 VanDerWaalsContact CD2-CG 3.49Å; H250-F314 WeakPolarHBondContact CD2-CG 3.49Å; H250-F314 AromaticContact CG-CG 3.87Å | ||
| 251 | P | 88.3 | Confident | 88.9 | Confident | 29 Ų | 29 | 15.5 Ų | 15.5 | 19% | 0.188 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -30.8 | -173.5 | 24.5 | -33.3 | 0 | 0 | 0 | 114.1 | I253 I367 R369 | P251-I253 VanDerWaalsContact C-N 3.33Å; P251-I367 HydrophobicContact CB-CD1 4.49Å; P251-R369 PolarHBondContact O-NH1 3.47Å |
| 252 | N | 93.7 | Very high | 88.3 | Confident | 4 Ų | 4 | 18.7 Ų | 18.7 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 22 | -179.2 | -52.7 | 107.7 | 0 | 0 | 0 | 113.3 | H250 D307 A368 R369 L370 | H250-N252 PolarHBondContact ND1-N 3.23Å; H250-N252 VanDerWaalsContact ND1-N 3.15Å; H250-N252 PolarHBondContact O-N 3.21Å; N252-D307 VanDerWaalsContact CB-O 3.23Å; N252-D307 WeakPolarHBondContact CB-O 3.13Å; N252-D307 VanDerWaalsContact CG-O 3.27Å; N252-D307 WeakPolarHBondContact ND2-CB 3.48Å; N252-D307 PolarHBondContact ND2-OD1 3.36Å; N252-D307 VanDerWaalsContact ND2-OD1 3.12Å; N252-A368 PolarHBondContact ND2-O 2.97Å; N252-R369 CarbonylContact O-C 3.52Å; N252-R369 WeakPolarHBondContact O-CA 3.26Å; N252-L370 PolarHBondContact O-N 3.12Å |
| 253 | I | 92.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.1 | 173 | -64.4 | 177.5 | 0 | 0 | 0 | 108.6 | I247 H250 P251 P255 F314 L315 R369 M372 | I247-I253 HydrophobicContact CB-CG2 3.83Å; I247-I253 HydrophobicContact CD1-CD1 4.38Å; I247-I253 HydrophobicContact CD1-CG2 4.29Å; I247-I253 HydrophobicContact CG2-CB 4.25Å; I247-I253 HydrophobicContact CG2-CD1 3.77Å; I247-I253 HydrophobicContact CG2-CG2 3.94Å; H250-I253 HydrophobicContact CB-CB 4.31Å; H250-I253 HydrophobicContact CB-CD1 3.93Å; H250-I253 HydrophobicContact CB-CG1 4.16Å; H250-I253 PolarHBondContact O-N 3Å; P251-I253 VanDerWaalsContact C-N 3.33Å; I253-P255 WeakPolarHBondContact O-CD 3.05Å; I253-F314 HydrophobicContact CD1-CD1 3.36Å; I253-F314 HydrophobicContact CD1-CE1 3.94Å; I253-F314 HydrophobicContact CD1-CG 4.28Å; I253-L315 HydrophobicContact CD1-CD2 3.73Å; I253-L315 HydrophobicContact CD1-CG 4.01Å; I253-R369 PolarHBondContact O-NH1 3.1Å; I253-M372 HydrophobicContact CG2-CE 4.18Å; I253-M372 HydrophobicContact CG2-CG 3.52Å; I253-M372 HydrophobicContact CG2-SD 4.11Å |
| 254 | L | 93.2 | Very high | 87.5 | Confident | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 105.8 | 171.4 | 174.5 | 63.4 | 0 | 0 | 0 | 107.8 | D271 M273 M333 R369 L370 D371 M372 | L254-D271 HydrophobicContact CD1-CB 4.02Å; L254-M273 HydrophobicContact CD1-CE 3.79Å; L254-M273 HydrophobicContact CD1-CG 4.49Å; L254-M273 HydrophobicContact CD1-SD 4.08Å; L254-M273 HydrophobicContact CD2-CG 3.71Å; L254-M273 HydrophobicContact CD2-SD 4.15Å; L254-M333 HydrophobicContact CD2-CB 4.13Å; L254-M333 HydrophobicContact CD2-CG 3.75Å; L254-R369 HydrophobicContact CB-CB 4.02Å; L254-L370 PolarHBondContact N-O 3.25Å; L254-D371 HydrophobicContact CD2-CB 4.39Å; L254-M372 WeakPolarHBondContact O-CB 3.38Å; L254-M372 WeakPolarHBondContact O-CG 3.38Å; L254-M372 PolarHBondContact O-N 2.89Å |
| 255 | P | 91.7 | Very high | 87.7 | Confident | 7 Ų | 7 | 22.5 Ų | 22.5 | 5% | 0.045 | 14% | 0.137 | C | C | . | . | trans | -71.7 | 155.2 | -177.1 | 24.5 | -31.5 | 0 | 0 | 0 | 112.8 | I247 F248 I253 | I247-P255 WeakPolarHBondContact O-CB 3.39Å; F248-P255 HydrophobicContact CD1-CB 3.98Å; F248-P255 HydrophobicContact CD1-CG 3.51Å; F248-P255 HydrophobicContact CD2-CB 4.48Å; F248-P255 HydrophobicContact CE1-CB 3.78Å; F248-P255 HydrophobicContact CE1-CG 3.47Å; F248-P255 VanDerWaalsContact CE1-CG 3.47Å; F248-P255 HydrophobicContact CE2-CB 4.31Å; F248-P255 HydrophobicContact CG-CB 4.32Å; F248-P255 HydrophobicContact CG-CG 4.23Å; F248-P255 HydrophobicContact CZ-CB 3.94Å; F248-P255 HydrophobicContact CZ-CG 4.16Å; I253-P255 WeakPolarHBondContact O-CD 3.05Å | ||
| 256 | V | 90.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -79.3 | 120.3 | 161.4 | -173.4 | 0 | 0 | 0 | 0 | 108.3 | F242 L245 R246 I259 L268 V269 M372 A373 | F242-V256 HydrophobicContact CD2-CB 4.34Å; F242-V256 HydrophobicContact CD2-CG1 3.98Å; F242-V256 HydrophobicContact CE2-CB 3.96Å; F242-V256 HydrophobicContact CE2-CG1 3.57Å; L245-V256 HydrophobicContact CB-CB 4.03Å; L245-V256 HydrophobicContact CB-CG2 3.66Å; L245-V256 HydrophobicContact CD1-CG2 4.1Å; L245-V256 PolarHBondContact O-N 3.47Å; R246-V256 WeakPolarHBondContact CG-O 3.36Å; V256-I259 HydrophobicContact CG1-CG2 4.25Å; V256-L268 HydrophobicContact CG1-CB 4.07Å; V256-L268 HydrophobicContact CG1-CD2 3.95Å; V256-L268 HydrophobicContact CG1-CG 4.44Å; V256-L268 HydrophobicContact CG2-CD2 3.9Å; V256-V269 CarbonylContact C-O 3.39Å; V256-V269 WeakPolarHBondContact CG1-O 3.23Å; V256-M372 HydrophobicContact CG2-CB 4.03Å; V256-A373 HydrophobicContact CG2-CB 4.15Å | ||
| 257 | L | 87.2 | Confident | 88.1 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -77.2 | -45.6 | -176.2 | -60.2 | 176.2 | 0 | 0 | 0 | 112.3 | Y184 V220 R246 F248 V269 | Y184-L257 HydrophobicContact CD1-CB 3.68Å; Y184-L257 HydrophobicContact CD1-CD2 4.24Å; Y184-L257 HydrophobicContact CD1-CG 4.36Å; Y184-L257 HydrophobicContact CD2-CD2 4.12Å; Y184-L257 HydrophobicContact CE1-CB 3.66Å; Y184-L257 HydrophobicContact CE1-CD1 3.72Å; Y184-L257 HydrophobicContact CE1-CD2 4.07Å; Y184-L257 HydrophobicContact CE1-CG 4.02Å; Y184-L257 HydrophobicContact CE2-CD2 3.95Å; Y184-L257 HydrophobicContact CG-CB 4.37Å; Y184-L257 HydrophobicContact CG-CD2 4.26Å; V220-L257 HydrophobicContact CG1-CD1 4.15Å; R246-L257 PolarHBondContact NH1-O 3.48Å; F248-L257 HydrophobicContact CE1-CD2 3.74Å; F248-L257 HydrophobicContact CZ-CD2 4.13Å; L257-V269 WeakPolarHBondContact CB-O 3.37Å; L257-V269 HydrophobicContact CD1-CG1 4.45Å; L257-V269 PolarHBondContact N-O 3.31Å | ||
| 258 | A | 87.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 161.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111 | W191 V269 | W191-A258 HydrophobicContact CD2-CB 3.73Å; W191-A258 HydrophobicContact CE3-CB 4.26Å; W191-A258 HydrophobicContact CG-CB 3.94Å; W191-A258 HydrophobicContact CZ2-CB 4.22Å; A258-V269 HydrophobicContact CB-CB 4.22Å; A258-V269 HydrophobicContact CB-CG2 4.26Å; A258-V269 PolarHBondContact O-N 2.96Å |
| 259 | I | 90.6 | Very high | 88.8 | Confident | 9 Ų | 9 | 21.5 Ų | 21.5 | 5% | 0.046 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 148.8 | 170.9 | 54.9 | 159.7 | 0 | 0 | 0 | 111.3 | W191 F238 K239 F242 V256 T261 C267 L268 | W191-I259 HydrophobicContact CE3-CG1 4.34Å; W191-I259 HydrophobicContact CH2-CG1 4.49Å; W191-I259 HydrophobicContact CZ3-CG1 3.67Å; F238-I259 HydrophobicContact CD1-CB 4.46Å; F238-I259 HydrophobicContact CD1-CD1 3.87Å; F238-I259 HydrophobicContact CE1-CB 3.59Å; F238-I259 HydrophobicContact CE1-CD1 3.86Å; F238-I259 HydrophobicContact CE1-CG1 4.31Å; F238-I259 HydrophobicContact CE1-CG2 3.78Å; F238-I259 HydrophobicContact CE2-CG2 4.35Å; F238-I259 HydrophobicContact CZ-CB 3.89Å; F238-I259 HydrophobicContact CZ-CG2 3.55Å; K239-I259 HydrophobicContact CG-CD1 3.99Å; F242-I259 HydrophobicContact CB-CD1 3.75Å; F242-I259 HydrophobicContact CB-CG1 4.41Å; F242-I259 HydrophobicContact CB-CG2 4.27Å; F242-I259 HydrophobicContact CD1-CD1 3.79Å; F242-I259 HydrophobicContact CD1-CG1 3.82Å; F242-I259 HydrophobicContact CD2-CB 4.26Å; F242-I259 HydrophobicContact CD2-CD1 4.37Å; F242-I259 HydrophobicContact CD2-CG1 4.11Å; F242-I259 HydrophobicContact CD2-CG2 3.26Å; F242-I259 HydrophobicContact CE1-CD1 4.5Å; F242-I259 HydrophobicContact CE1-CG1 4.06Å; F242-I259 HydrophobicContact CE2-CB 4.45Å; F242-I259 HydrophobicContact CE2-CG1 4.32Å; F242-I259 HydrophobicContact CE2-CG2 3.63Å; F242-I259 HydrophobicContact CG-CB 4.41Å; F242-I259 HydrophobicContact CG-CD1 3.68Å; F242-I259 HydrophobicContact CG-CG1 3.82Å; F242-I259 HydrophobicContact CG-CG2 3.75Å; F242-I259 HydrophobicContact CZ-CG1 4.26Å; F242-I259 HydrophobicContact CZ-CG2 4.37Å; V256-I259 HydrophobicContact CG1-CG2 4.25Å; I259-T261 HydrophobicContact CD1-CG2 4.36Å; I259-C267 CarbonylContact C-O 3.57Å; I259-C267 VanDerWaalsContact CA-O 3.23Å; I259-C267 WeakPolarHBondContact CA-O 3.42Å; I259-L268 HydrophobicContact CG2-CG 4.36Å |
| 260 | F | 89.4 | Confident | 89.2 | Confident | 7 Ų | 7 | 21.5 Ų | 21.5 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 124.1 | 171.7 | -57.2 | -74.8 | 0 | 0 | 0 | 110.8 | W191 P193 V196 F215 T263 C267 V269 | W191-F260 HydrophobicContact CB-CD1 4Å; W191-F260 HydrophobicContact CB-CE1 3.4Å; W191-F260 VanDerWaalsContact CB-CE1 3.4Å; W191-F260 HydrophobicContact CB-CZ 4.17Å; W191-F260 WeakPolarHBondContact O-CD1 3.31Å; P193-F260 HydrophobicContact CB-CD1 4.08Å; P193-F260 HydrophobicContact CB-CE1 4.42Å; P193-F260 HydrophobicContact CB-CG 4.43Å; P193-F260 HydrophobicContact CG-CB 4.31Å; P193-F260 HydrophobicContact CG-CD1 3.69Å; P193-F260 HydrophobicContact CG-CE1 4.34Å; P193-F260 HydrophobicContact CG-CG 4.2Å; V196-F260 HydrophobicContact CG2-CE2 3.53Å; V196-F260 HydrophobicContact CG2-CZ 3.44Å; V196-F260 VanDerWaalsContact CG2-CZ 3.44Å; F215-F260 HydrophobicContact CE2-CZ 4.18Å; F260-T263 HydrophobicContact CB-CG2 4.27Å; F260-C267 HydrophobicContact CB-CB 4.12Å; F260-C267 HydrophobicContact CD2-CB 4.06Å; F260-C267 PolarHBondContact N-O 3.34Å; F260-C267 PolarHBondContact O-N 3.05Å; F260-C267 VanDerWaalsContact O-N 3.08Å; F260-V269 HydrophobicContact CD2-CG2 3.99Å; F260-V269 HydrophobicContact CE2-CG2 3.33Å; F260-V269 HydrophobicContact CZ-CG2 4.21Å |
| 261 | T | 87.7 | Confident | 89.3 | Confident | 42 Ų | 42 | 20.9 Ų | 20.9 | 26% | 0.258 | 13% | 0.131 | S | C | . | . | trans | -111.2 | -9.8 | 174 | 68.2 | 0 | 0 | 0 | 0 | 113.3 | F238 K239 I259 T263 L266 | F238-T261 HydrophobicContact CD1-CG2 3.76Å; F238-T261 HydrophobicContact CE1-CG2 4.16Å; K239-T261 HydrophobicContact CD-CG2 4.27Å; K239-T261 VanDerWaalsContact CE-CG2 3.44Å; K239-T261 WeakPolarHBondContact CE-OG1 3.13Å; K239-T261 HydrophobicContact CG-CG2 3.85Å; K239-T261 PolarHBondContact NZ-OG1 2.72Å; I259-T261 HydrophobicContact CD1-CG2 4.36Å; T261-T263 VanDerWaalsContact C-N 3.26Å; T261-L266 HydrophobicContact CG2-CD2 4.2Å | ||
| 262 | A | 79.8 | Confident | 89.4 | Confident | 88 Ų | 88 | 21.9 Ų | 21.9 | 73% | 0.727 | 13% | 0.133 | S | C | * | . | S | Bend | trans | -87.7 | 7.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P193 | P193-A262 HydrophobicContact CG-CB 4.37Š|
| 263 | T | 77.3 | Confident | 89.2 | Confident | 38 Ų | 38 | 22.1 Ų | 22.1 | 23% | 0.233 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -100.2 | 156.5 | 176.2 | 40.4 | 0 | 0 | 0 | 0 | 110.4 | P193 F260 T261 R265 | P193-T263 HydrophobicContact CB-CG2 3.7Å; P193-T263 HydrophobicContact CG-CG2 3.76Å; F260-T263 HydrophobicContact CB-CG2 4.27Å; T261-T263 VanDerWaalsContact C-N 3.26Å; T263-R265 VanDerWaalsContact CB-O 3.3Å; T263-R265 WeakPolarHBondContact CB-O 3.41Å; T263-R265 PolarHBondContact O-N 3.14Å; T263-R265 PolarHBondContact OG1-O 2.97Å |
| 264 | P | 80.4 | Confident | 88.8 | Confident | 131 Ų | 131 | 24.7 Ų | 24.7 | 85% | 0.851 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -56.5 | -24.3 | 176.8 | -25.9 | 34.4 | 0 | 0 | 0 | 114 | ||
| 265 | R | 88.8 | Confident | 88.6 | Confident | 65 Ų | 65 | 26.2 Ų | 26.2 | 25% | 0.245 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -120.9 | 146.6 | 175.2 | -66.3 | 173.6 | 67.8 | -176 | -5 | 108.8 | E209 M224 L225 T263 C267 | E209-R265 IonicContact OE2-CZ 2.99Å; E209-R265 IonicContact OE2-NH1 3.8Å; E209-R265 PolarHBondContact OE2-NH1 3.41Å; E209-R265 IonicContact OE2-NH2 3.58Å; M224-R265 PolarHBondContact O-NH2 3.36Å; L225-R265 PolarHBondContact O-NE 3.26Å; T263-R265 VanDerWaalsContact CB-O 3.3Å; T263-R265 WeakPolarHBondContact CB-O 3.41Å; T263-R265 PolarHBondContact O-N 3.14Å; T263-R265 PolarHBondContact OG1-O 2.97Å; R265-C267 PolarHBondContact O-SG 3.07Å; R265-C267 VanDerWaalsContact O-SG 3.36Å |
| 266 | L | 93.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | trans | -72.9 | 130.6 | 172.6 | -58.2 | -178.9 | 0 | 0 | 0 | 108.9 | L225 L227 A235 F238 T261 F379 | L225-L266 WeakPolarHBondContact CB-O 3.49Å; L225-L266 HydrophobicContact CD1-CB 4.22Å; L225-L266 PolarHBondContact N-O 3.29Å; L227-L266 HydrophobicContact CD1-CD1 3.82Å; L227-L266 HydrophobicContact CD1-CG 4.08Å; A235-L266 HydrophobicContact CB-CD2 4.25Å; F238-L266 HydrophobicContact CB-CD1 3.83Å; F238-L266 HydrophobicContact CD1-CB 4.1Å; F238-L266 HydrophobicContact CD1-CD1 4.01Å; F238-L266 HydrophobicContact CD1-CD2 4.11Å; F238-L266 HydrophobicContact CD1-CG 4.3Å; F238-L266 HydrophobicContact CD2-CD1 4.28Å; F238-L266 HydrophobicContact CE1-CB 3.85Å; F238-L266 HydrophobicContact CE1-CD2 4.44Å; F238-L266 HydrophobicContact CE2-CB 4.43Å; F238-L266 HydrophobicContact CG-CB 4.45Å; F238-L266 HydrophobicContact CG-CD1 3.82Å; F238-L266 HydrophobicContact CZ-CB 4.05Å; T261-L266 HydrophobicContact CG2-CD2 4.2Å; L266-F379 HydrophobicContact CD1-CE2 3.98Å; L266-F379 HydrophobicContact CD1-CZ 3.74Å | ||
| 267 | C | 94 | Very high | 88.9 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.02 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 142.1 | -175.3 | -54 | 0 | 0 | 0 | 0 | 111.2 | V222 K223 I259 F260 R265 | V222-C267 HydrophobicContact CG1-CB 4.21Å; K223-C267 CarbonylContact O-C 3.6Å; K223-C267 VanDerWaalsContact O-CA 3.32Å; K223-C267 WeakPolarHBondContact O-CA 3.38Å; I259-C267 CarbonylContact C-O 3.57Å; I259-C267 VanDerWaalsContact CA-O 3.23Å; I259-C267 WeakPolarHBondContact CA-O 3.42Å; F260-C267 HydrophobicContact CB-CB 4.12Å; F260-C267 HydrophobicContact CD2-CB 4.06Å; F260-C267 PolarHBondContact N-O 3.34Å; F260-C267 PolarHBondContact O-N 3.05Å; F260-C267 VanDerWaalsContact O-N 3.08Å; R265-C267 PolarHBondContact O-SG 3.07Å; R265-C267 VanDerWaalsContact O-SG 3.36Å |
| 268 | L | 93.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 147.5 | 167.5 | -59.7 | 97.2 | 0 | 0 | 0 | 109.6 | V222 K223 L225 F238 L245 V256 I259 A373 F377 | V222-L268 CarbonylContact C-O 3.39Å; V222-L268 WeakPolarHBondContact CA-O 3.36Å; K223-L268 HydrophobicContact CB-CB 4.36Å; K223-L268 PolarHBondContact N-O 3.35Å; K223-L268 PolarHBondContact O-N 3.25Å; L225-L268 HydrophobicContact CD1-CD1 4.19Å; L225-L268 HydrophobicContact CD2-CD1 3.76Å; L225-L268 HydrophobicContact CG-CD1 3.92Å; F238-L268 HydrophobicContact CE2-CD1 4.02Å; F238-L268 HydrophobicContact CE2-CD2 4.46Å; F238-L268 HydrophobicContact CE2-CG 4.07Å; F238-L268 HydrophobicContact CZ-CD1 4.13Å; F238-L268 HydrophobicContact CZ-CG 3.96Å; L245-L268 HydrophobicContact CD1-CD2 4.41Å; V256-L268 HydrophobicContact CG1-CB 4.07Å; V256-L268 HydrophobicContact CG1-CD2 3.95Å; V256-L268 HydrophobicContact CG1-CG 4.44Å; V256-L268 HydrophobicContact CG2-CD2 3.9Å; I259-L268 HydrophobicContact CG2-CG 4.36Å; L268-A373 HydrophobicContact CB-CB 4.45Å; L268-A373 HydrophobicContact CD2-CB 4.34Å; L268-F377 HydrophobicContact CD1-CE2 4.15Å; L268-F377 HydrophobicContact CD2-CE2 3.75Å; L268-F377 HydrophobicContact CD2-CZ 3.86Å; L268-F377 HydrophobicContact CG-CE2 4.42Å |
| 269 | V | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.2 | 172.9 | -171.8 | 0 | 0 | 0 | 0 | 109 | V220 V221 V256 L257 A258 F260 | V220-V269 HydrophobicContact CB-CG1 3.69Å; V220-V269 HydrophobicContact CG1-CG1 3.76Å; V220-V269 HydrophobicContact CG2-CG1 3.97Å; V221-V269 VanDerWaalsContact O-CA 3.31Å; V221-V269 WeakPolarHBondContact O-CA 3.36Å; V256-V269 CarbonylContact C-O 3.39Å; V256-V269 WeakPolarHBondContact CG1-O 3.23Å; L257-V269 WeakPolarHBondContact CB-O 3.37Å; L257-V269 HydrophobicContact CD1-CG1 4.45Å; L257-V269 PolarHBondContact N-O 3.31Å; A258-V269 HydrophobicContact CB-CB 4.22Å; A258-V269 HydrophobicContact CB-CG2 4.26Å; A258-V269 PolarHBondContact O-N 2.96Å; F260-V269 HydrophobicContact CD2-CG2 3.99Å; F260-V269 HydrophobicContact CE2-CG2 3.33Å; F260-V269 HydrophobicContact CZ-CG2 4.21Å |
| 270 | S | 92.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 166.3 | 170.7 | 54.8 | 0 | 0 | 0 | 0 | 110 | V220 V221 | V220-S270 CarbonylContact C-O 3.16Å; V220-S270 VanDerWaalsContact CA-O 3.25Å; V220-S270 WeakPolarHBondContact CA-O 3.44Å; V220-S270 VanDerWaalsContact CB-O 3.25Å; V220-S270 WeakPolarHBondContact CB-O 3.46Å; V221-S270 PolarHBondContact N-O 2.83Å; V221-S270 PolarHBondContact O-N 3.28Å |
| 271 | D | 89.6 | Confident | 89.9 | Confident | 11 Ų | 11 | 30.5 Ų | 30.5 | 6% | 0.059 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 146.9 | 174.7 | -69.2 | -59.1 | 0 | 0 | 0 | 111.1 | R179 L254 M273 | R179-D271 IonicContact CZ-OD1 3.6Å; R179-D271 IonicContact CZ-OD2 3.72Å; R179-D271 IonicContact NH1-OD1 3.42Å; R179-D271 IonicContact NH1-OD2 3.94Å; R179-D271 PolarHBondContact NH1-OD2 3.19Å; R179-D271 IonicContact NH2-OD1 3.07Å; R179-D271 PolarHBondContact NH2-OD1 2.72Å; R179-D271 IonicContact NH2-OD2 3.93Å; R179-D271 PolarHBondContact NH2-OD2 3.42Å; L254-D271 HydrophobicContact CD1-CB 4.02Å; D271-M273 HydrophobicContact CB-CE 3.64Å; D271-M273 PolarHBondContact O-N 2.93Å |
| 272 | F | 90.7 | Very high | 90.1 | Very high | 50 Ų | 50 | 29.7 Ų | 29.7 | 22% | 0.219 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -74.9 | 121.3 | 171.2 | 177.7 | -102.6 | 0 | 0 | 0 | 110.8 | L202 K212 P219 V221 Q274 | L202-F272 HydrophobicContact CD1-CD2 4.28Å; L202-F272 HydrophobicContact CD1-CE2 4.1Å; L202-F272 HydrophobicContact CD2-CE2 4.33Å; K212-F272 HydrophobicContact CD-CD2 4.19Å; K212-F272 HydrophobicContact CD-CE2 3.9Å; K212-F272 HydrophobicContact CD-CZ 4.16Å; K212-F272 HydrophobicContact CG-CD2 4.07Å; K212-F272 HydrophobicContact CG-CE2 4.21Å; P219-F272 HydrophobicContact CB-CB 3.96Å; P219-F272 HydrophobicContact CB-CD1 4.49Å; P219-F272 PolarHBondContact O-N 3.4Å; P219-F272 VanDerWaalsContact O-N 3.16Å; V221-F272 HydrophobicContact CG2-CB 4.35Å; V221-F272 HydrophobicContact CG2-CD2 3.81Å; F272-Q274 HydrophobicContact CE1-CB 4.24Å |
| 273 | M | 90 | Very high | 90.7 | Very high | 8 Ų | 8 | 27.4 Ų | 27.4 | 4% | 0.039 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -98.5 | 118.7 | 176.6 | -57.9 | -79.8 | 103.4 | 0 | 0 | 108.5 | L254 D271 Y275 G276 M333 D335 | L254-M273 HydrophobicContact CD1-CE 3.79Å; L254-M273 HydrophobicContact CD1-CG 4.49Å; L254-M273 HydrophobicContact CD1-SD 4.08Å; L254-M273 HydrophobicContact CD2-CG 3.71Å; L254-M273 HydrophobicContact CD2-SD 4.15Å; D271-M273 HydrophobicContact CB-CE 3.64Å; D271-M273 PolarHBondContact O-N 2.93Å; M273-Y275 VanDerWaalsContact C-N 3.33Å; M273-Y275 PolarHBondContact O-N 2.63Å; M273-G276 PolarHBondContact O-N 3.09Å; M273-M333 HydrophobicContact CB-CB 3.98Å; M273-M333 HydrophobicContact CB-CE 4.05Å; M273-M333 HydrophobicContact CG-CB 3.6Å; M273-M333 HydrophobicContact CG-CE 4.4Å; M273-M333 HydrophobicContact CG-CG 4.18Å; M273-M333 HydrophobicContact SD-CB 4.31Å; M273-D335 HydrophobicContact CE-CB 4.48Å; M273-D335 WeakPolarHBondContact CE-OD2 3.31Å; M273-D335 HydrophobicContact SD-CB 3.73Å |
| 274 | Q | 84.6 | Confident | 90.9 | Very high | 55 Ų | 55 | 29.4 Ų | 29.4 | 26% | 0.257 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -26 | -163.3 | 71.4 | -176 | 20.1 | 0 | 0 | 114.8 | F272 E336 | F272-Q274 HydrophobicContact CE1-CB 4.24Å; Q274-E336 VanDerWaalsContact NE2-CG 3.33Å; Q274-E336 PolarHBondContact NE2-OE1 3.15Å |
| 275 | Y | 88.4 | Confident | 90.1 | Very high | 34 Ų | 34 | 27.5 Ų | 27.5 | 13% | 0.133 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 1.1 | 178.1 | -61.6 | -81.6 | 0 | 0 | 0 | 113.5 | M273 V281 H291 V334 E336 L366 | M273-Y275 VanDerWaalsContact C-N 3.33Å; M273-Y275 PolarHBondContact O-N 2.63Å; Y275-V281 WeakPolarHBondContact O-CG2 3.38Å; Y275-H291 HydrophobicContact CE1-CB 4.15Å; Y275-V334 HydrophobicContact CD2-CG1 4.26Å; Y275-V334 HydrophobicContact CG-CG1 4.38Å; Y275-V334 PolarHBondContact N-O 3Å; Y275-E336 HydrophobicContact CE2-CG 4.04Å; Y275-L366 HydrophobicContact CD2-CD2 3.9Å; Y275-L366 HydrophobicContact CE2-CD2 3.27Å |
| 276 | G | 92 | Very high | 88.6 | Confident | 19 Ų | 19 | 26 Ų | 26 | 20% | 0.196 | 14% | 0.143 | C | C | . | . | trans | 70.7 | -149.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M273 M333 V334 | M273-G276 PolarHBondContact O-N 3.09Å; G276-M333 WeakPolarHBondContact O-CA 3.39Å; G276-M333 WeakPolarHBondContact O-CE 3.34Å; G276-V334 PolarHBondContact O-N 3.39Å | ||
| 277 | S | 95.4 | Very high | 86.6 | Confident | 8 Ų | 8 | 35.3 Ų | 35.3 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -80.7 | 160.1 | 179.2 | 71.2 | 0 | 0 | 0 | 0 | 111.8 | F279 D280 V281 K330 V332 | S277-F279 PolarHBondContact O-N 3.5Å; S277-D280 WeakPolarHBondContact CB-OD2 3.23Å; S277-D280 PolarHBondContact N-OD2 3.39Å; S277-D280 WeakPolarHBondContact O-CA 3.49Å; S277-D280 WeakPolarHBondContact O-CB 3.23Å; S277-D280 PolarHBondContact O-N 3.14Å; S277-D280 PolarHBondContact OG-N 2.92Å; S277-D280 PolarHBondContact OG-OD1 3.28Å; S277-D280 PolarHBondContact OG-OD2 2.94Å; S277-V281 WeakPolarHBondContact O-CG2 3.5Å; S277-V281 PolarHBondContact O-N 3.01Å; S277-K330 WeakPolarHBondContact CB-O 3.29Å; S277-V332 CarbonylContact C-O 3.51Å; S277-V332 WeakPolarHBondContact CA-O 3.47Å |
| 278 | L | 96.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58 | -34.7 | 173.4 | 177.3 | 63.5 | 0 | 0 | 0 | 111 | D280 V281 L282 F304 I308 S329 V332 V334 I416 L420 | L278-D280 VanDerWaalsContact C-N 3.28Å; L278-D280 PolarHBondContact O-N 3.1Å; L278-V281 PolarHBondContact O-N 3.13Å; L278-L282 HydrophobicContact CD1-CD1 4.03Å; L278-L282 HydrophobicContact CD1-CG 4.05Å; L278-L282 HydrophobicContact CD2-CD1 4.5Å; L278-L282 HydrophobicContact CG-CD1 3.87Å; L278-L282 HydrophobicContact CG-CG 4.32Å; L278-L282 WeakPolarHBondContact O-CB 3.35Å; L278-L282 WeakPolarHBondContact O-CG 3.36Å; L278-L282 PolarHBondContact O-N 3.5Å; L278-F304 HydrophobicContact CD1-CD2 3.77Å; L278-F304 HydrophobicContact CD1-CE2 4.06Å; L278-F304 HydrophobicContact CD1-CG 4.34Å; L278-I308 HydrophobicContact CD2-CD1 3.97Å; L278-S329 WeakPolarHBondContact CB-O 3.16Å; L278-S329 PolarHBondContact N-O 3.31Å; L278-V332 HydrophobicContact CB-CB 3.99Å; L278-V332 HydrophobicContact CB-CG1 4.1Å; L278-V332 HydrophobicContact CD2-CB 4.48Å; L278-V332 HydrophobicContact CD2-CG1 4.36Å; L278-V332 PolarHBondContact N-O 3.07Å; L278-V334 HydrophobicContact CB-CG2 4.15Å; L278-V334 HydrophobicContact CD1-CG2 4.21Å; L278-I416 HydrophobicContact CD2-CG2 3.91Å; L278-L420 HydrophobicContact CD1-CD2 3.91Å; L278-L420 HydrophobicContact CD2-CD1 4.49Å; L278-L420 HydrophobicContact CD2-CD2 4.15Å; L278-L420 HydrophobicContact CD2-CG 4.38Å; L278-L420 HydrophobicContact CG-CD2 4.48Å |
| 279 | F | 95.5 | Very high | 82.6 | Confident | 37 Ų | 37 | 39.5 Ų | 39.5 | 16% | 0.162 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.5 | -41.2 | 171.6 | -174.3 | -86 | 0 | 0 | 0 | 111.6 | S277 L282 H283 S329 K330 W390 I425 | S277-F279 PolarHBondContact O-N 3.5Å; F279-L282 PolarHBondContact O-N 3.29Å; F279-H283 AromaticContact CD2-CD2 3.53Å; F279-H283 HydrophobicContact CE1-CB 4.37Å; F279-H283 AromaticContact CE2-CD2 3.6Å; F279-H283 AromaticContact CG-CD2 3.9Å; F279-H283 HydrophobicContact CZ-CB 4.42Å; F279-H283 WeakPolarHBondContact O-CB 3.44Å; F279-H283 PolarHBondContact O-CD2 2.9Å; F279-H283 PolarHBondContact O-N 3.2Å; F279-S329 PolarHBondContact N-O 3.25Å; F279-K330 HydrophobicContact CB-CB 4.41Å; F279-K330 HydrophobicContact CB-CG 3.67Å; F279-K330 HydrophobicContact CD1-CG 4.37Å; F279-K330 HydrophobicContact CD2-CG 3.99Å; F279-K330 HydrophobicContact CG-CG 3.74Å; F279-W390 HydrophobicContact CD2-CH2 4.27Å; F279-W390 HydrophobicContact CD2-CZ2 4.31Å; F279-W390 HydrophobicContact CE2-CH2 4.2Å; F279-I425 HydrophobicContact CE2-CG1 4.29Å; F279-I425 HydrophobicContact CE2-CG2 4.27Å; F279-I425 HydrophobicContact CZ-CD1 4.11Å; F279-I425 HydrophobicContact CZ-CG1 4.33Å |
| 280 | D | 92.6 | Very high | 80.5 | Confident | 33 Ų | 33 | 47.5 Ų | 47.5 | 18% | 0.176 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.6 | -44.1 | 178.8 | -53 | -39.4 | 0 | 0 | 0 | 111.4 | S277 L278 L282 Q284 | S277-D280 WeakPolarHBondContact CB-OD2 3.23Å; S277-D280 PolarHBondContact N-OD2 3.39Å; S277-D280 WeakPolarHBondContact O-CA 3.49Å; S277-D280 WeakPolarHBondContact O-CB 3.23Å; S277-D280 PolarHBondContact O-N 3.14Å; S277-D280 PolarHBondContact OG-N 2.92Å; S277-D280 PolarHBondContact OG-OD1 3.28Å; S277-D280 PolarHBondContact OG-OD2 2.94Å; L278-D280 VanDerWaalsContact C-N 3.28Å; L278-D280 PolarHBondContact O-N 3.1Å; D280-L282 VanDerWaalsContact C-N 3.26Å; D280-L282 PolarHBondContact O-N 2.93Å; D280-Q284 HydrophobicContact CB-CG 4.11Å; D280-Q284 VanDerWaalsContact CG-NE2 3.29Å; D280-Q284 WeakPolarHBondContact O-CB 3.41Å; D280-Q284 PolarHBondContact O-N 2.81Å; D280-Q284 PolarHBondContact OD1-NE2 3.5Å |
| 281 | V | 91.5 | Very high | 78.5 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64 | -32.3 | 177.8 | -163.2 | 0 | 0 | 0 | 0 | 112.1 | Y275 S277 L278 I296 V334 | Y275-V281 WeakPolarHBondContact O-CG2 3.38Å; S277-V281 WeakPolarHBondContact O-CG2 3.5Å; S277-V281 PolarHBondContact O-N 3.01Å; L278-V281 PolarHBondContact O-N 3.13Å; V281-I296 HydrophobicContact CB-CD1 4.08Å; V281-I296 HydrophobicContact CG1-CD1 3.34Å; V281-I296 HydrophobicContact CG1-CG1 3.92Å; V281-V334 HydrophobicContact CG2-CB 3.82Å; V281-V334 HydrophobicContact CG2-CG1 4.15Å; V281-V334 HydrophobicContact CG2-CG2 3.81Å |
| 282 | L | 92.6 | Very high | 76.4 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 13% | 0.131 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -83.6 | -37.1 | -178.5 | -67.7 | 175.8 | 0 | 0 | 0 | 114 | L278 F279 D280 I296 E419 L420 | L278-L282 HydrophobicContact CD1-CD1 4.03Å; L278-L282 HydrophobicContact CD1-CG 4.05Å; L278-L282 HydrophobicContact CD2-CD1 4.5Å; L278-L282 HydrophobicContact CG-CD1 3.87Å; L278-L282 HydrophobicContact CG-CG 4.32Å; L278-L282 WeakPolarHBondContact O-CB 3.35Å; L278-L282 WeakPolarHBondContact O-CG 3.36Å; L278-L282 PolarHBondContact O-N 3.5Å; F279-L282 PolarHBondContact O-N 3.29Å; D280-L282 VanDerWaalsContact C-N 3.26Å; D280-L282 PolarHBondContact O-N 2.93Å; L282-I296 HydrophobicContact CD2-CD1 3.81Å; L282-E419 HydrophobicContact CD1-CG 3.95Å; L282-L420 HydrophobicContact CD1-CD2 4.12Å; L282-L420 HydrophobicContact CD1-CG 4.5Å; L282-L420 HydrophobicContact CD2-CD2 4.2Å |
| 283 | H | 91.8 | Very high | 74.2 | Confident | 40 Ų | 40 | 55.8 Ų | 55.8 | 19% | 0.185 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -127.6 | -14.9 | -163.1 | -50.7 | -63.3 | 0 | 0 | 0 | 115.1 | F279 E419 I425 | F279-H283 AromaticContact CD2-CD2 3.53Å; F279-H283 HydrophobicContact CE1-CB 4.37Å; F279-H283 AromaticContact CE2-CD2 3.6Å; F279-H283 AromaticContact CG-CD2 3.9Å; F279-H283 HydrophobicContact CZ-CB 4.42Å; F279-H283 WeakPolarHBondContact O-CB 3.44Å; F279-H283 PolarHBondContact O-CD2 2.9Å; F279-H283 PolarHBondContact O-N 3.2Å; H283-E419 IonicContact CD2-OE1 3.76Å; H283-E419 IonicContact CE1-OE1 2.91Å; H283-E419 IonicContact NE2-OE1 2.61Å; H283-E419 PolarHBondContact NE2-OE1 2.78Å; H283-I425 HydrophobicContact CB-CD1 4.16Å; H283-I425 HydrophobicContact CB-CG1 4.14Å |
| 284 | Q | 81.8 | Confident | 72.7 | Confident | 79 Ų | 79 | 57.3 Ų | 57.3 | 37% | 0.369 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -76.1 | 139.6 | 176.7 | -75.2 | -168.3 | 19.3 | 0 | 0 | 111.2 | D280 | D280-Q284 HydrophobicContact CB-CG 4.11Å; D280-Q284 VanDerWaalsContact CG-NE2 3.29Å; D280-Q284 WeakPolarHBondContact O-CB 3.41Å; D280-Q284 PolarHBondContact O-N 2.81Å; D280-Q284 PolarHBondContact OD1-NE2 3.5Å |
| 285 | P | 64.8 | Low | 72 | Confident | 91 Ų | 91 | 63.4 Ų | 63.4 | 59% | 0.591 | 35% | 0.348 | S | S | * | . | trans | -57.4 | 145.4 | 176.3 | -21.1 | 30.9 | 0 | 0 | 0 | 111.8 | E287 A288 | P285-E287 PolarHBondContact O-N 3.02Å; P285-A288 WeakPolarHBondContact O-CB 3.49Å; P285-A288 PolarHBondContact O-N 2.85Å | ||
| 286 | A | 57.5 | Low | 71.8 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 29% | 0.289 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -44.7 | -38.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A288 N289 T293 | A286-A288 VanDerWaalsContact C-N 3.26Å; A286-A288 PolarHBondContact O-N 2.85Å; A286-N289 PolarHBondContact O-N 3.15Å; A286-T293 HydrophobicContact CB-CG2 3.2Å |
| 287 | E | 50.7 | Low | 71.6 | Confident | 195 Ų | 195 | 64 Ų | 64 | 91% | 0.911 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -71.3 | -19.3 | -174.6 | -60.4 | 178.9 | 177.8 | 0 | 0 | 113.2 | P285 | P285-E287 PolarHBondContact O-N 3.02Š|
| 288 | A | 52.8 | Low | 71.3 | Confident | 61 Ų | 61 | 67.7 Ų | 67.7 | 50% | 0.504 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -84.5 | -21.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P285 A286 | P285-A288 WeakPolarHBondContact O-CB 3.49Å; P285-A288 PolarHBondContact O-N 2.85Å; A286-A288 VanDerWaalsContact C-N 3.26Å; A286-A288 PolarHBondContact O-N 2.85Å |
| 289 | N | 50.3 | Low | 71 | Confident | 31 Ų | 31 | 69.3 Ų | 69.3 | 17% | 0.166 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -91.2 | 121.1 | -179.7 | -69.4 | -19 | 0 | 0 | 0 | 109.6 | A286 H291 G292 | A286-N289 PolarHBondContact O-N 3.15Å; N289-H291 PolarHBondContact O-N 3.48Å; N289-G292 PolarHBondContact O-N 2.9Å |
| 290 | M | 49.6 | Very low | 70.8 | Confident | 168 Ų | 168 | 68 Ų | 68 | 83% | 0.828 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -15.9 | 178.6 | -74.6 | -172.6 | 175.9 | 0 | 0 | 113.9 | ||
| 291 | H | 50.9 | Low | 70.9 | Confident | 109 Ų | 109 | 66.4 Ų | 66.4 | 51% | 0.505 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 10.4 | -177.2 | -57.9 | -62.1 | 0 | 0 | 0 | 114.1 | Y275 N289 | Y275-H291 HydrophobicContact CE1-CB 4.15Å; N289-H291 PolarHBondContact O-N 3.48Å |
| 292 | G | 44.1 | Very low | 71 | Confident | 32 Ų | 32 | 65.8 Ų | 65.8 | 33% | 0.33 | 36% | 0.357 | S | S | . | . | trans | 76 | 174.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | N289 T294 | N289-G292 PolarHBondContact O-N 2.9Å; G292-T294 PolarHBondContact O-N 2.79Å | ||
| 293 | T | 45.6 | Very low | 71.1 | Confident | 96 Ų | 96 | 65.9 Ų | 65.9 | 59% | 0.589 | 36% | 0.356 | S | S | * | . | trans | -58.7 | 110.5 | 172.8 | 28.5 | 0 | 0 | 0 | 0 | 109.5 | A286 E295 | A286-T293 HydrophobicContact CB-CG2 3.2Å; T293-E295 PolarHBondContact O-N 2.87Å | ||
| 294 | T | 57.4 | Low | 71.3 | Confident | 40 Ų | 40 | 64 Ų | 64 | 25% | 0.245 | 35% | 0.347 | C | S | . | . | trans | -82.3 | 93.2 | 159.8 | -48.1 | 0 | 0 | 0 | 0 | 106.1 | G292 I296 L366 | G292-T294 PolarHBondContact O-N 2.79Å; T294-I296 VanDerWaalsContact C-N 3.32Å; T294-I296 PolarHBondContact O-N 3.42Å; T294-L366 HydrophobicContact CG2-CD1 4.11Å | ||
| 295 | E | 70.4 | Confident | 72.1 | Confident | 182 Ų | 182 | 60.3 Ų | 60.3 | 85% | 0.85 | 33% | 0.33 | S | S | * | . | trans | -60.4 | 102.2 | 165.7 | -77.9 | -169.5 | 170.4 | 0 | 0 | 107.5 | T293 S297 | T293-E295 PolarHBondContact O-N 2.87Å; E295-S297 PolarHBondContact O-N 3.19Å | ||
| 296 | I | 83.7 | Confident | 73.6 | Confident | 22 Ų | 22 | 56 Ų | 56 | 11% | 0.113 | 30% | 0.301 | C | S | . | . | trans | -71.7 | 120 | -178.2 | -65 | 162 | 0 | 0 | 0 | 108 | V281 L282 T294 Q300 A301 F304 R423 | V281-I296 HydrophobicContact CB-CD1 4.08Å; V281-I296 HydrophobicContact CG1-CD1 3.34Å; V281-I296 HydrophobicContact CG1-CG1 3.92Å; L282-I296 HydrophobicContact CD2-CD1 3.81Å; T294-I296 VanDerWaalsContact C-N 3.32Å; T294-I296 PolarHBondContact O-N 3.42Å; I296-Q300 HydrophobicContact CG2-CB 3.65Å; I296-Q300 HydrophobicContact CG2-CG 3.58Å; I296-A301 HydrophobicContact CG2-CB 4.25Å; I296-F304 HydrophobicContact CD1-CE2 3.78Å; I296-F304 HydrophobicContact CG1-CE2 4.22Å; I296-F304 HydrophobicContact CG2-CD2 4.47Å; I296-F304 HydrophobicContact CG2-CE2 4Å; I296-R423 PolarHBondContact O-NH2 2.77Å | ||
| 297 | S | 88.4 | Confident | 75.5 | Confident | 43 Ų | 43 | 54.3 Ų | 54.3 | 30% | 0.301 | 29% | 0.288 | S | S | . | . | trans | -58.6 | 157.7 | 172.3 | 77.5 | 0 | 0 | 0 | 0 | 111.3 | E295 R299 Q300 A301 D363 | E295-S297 PolarHBondContact O-N 3.19Å; S297-R299 PolarHBondContact O-N 2.75Å; S297-R299 PolarHBondContact OG-N 2.91Å; S297-Q300 PolarHBondContact O-N 2.99Å; S297-Q300 WeakPolarHBondContact OG-CB 3.48Å; S297-Q300 PolarHBondContact OG-N 2.75Å; S297-A301 PolarHBondContact O-N 2.89Å; S297-D363 PolarHBondContact OG-OD1 3.26Å | ||
| 298 | H | 88.6 | Confident | 77.7 | Confident | 86 Ų | 86 | 45.1 Ų | 45.1 | 40% | 0.398 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.1 | -35.1 | 173.3 | -174.3 | 57.4 | 0 | 0 | 0 | 111.8 | A301 L302 | H298-A301 WeakPolarHBondContact O-CB 3.08Å; H298-A301 PolarHBondContact O-N 3.14Å; H298-L302 PolarHBondContact O-N 2.64Å; H298-L302 VanDerWaalsContact O-N 3.09Å |
| 299 | R | 90.6 | Very high | 79.9 | Confident | 35 Ų | 35 | 42.2 Ų | 42.2 | 13% | 0.132 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.1 | -45 | 177.8 | -168.6 | -174.6 | 178.6 | 89.5 | -7.2 | 112.4 | S297 A301 L302 R303 D363 E364 R486 A489 S490 | S297-R299 PolarHBondContact O-N 2.75Å; S297-R299 PolarHBondContact OG-N 2.91Å; R299-A301 VanDerWaalsContact C-N 3.29Å; R299-A301 PolarHBondContact O-N 3.4Å; R299-L302 CarbonylContact O-C 3.54Å; R299-L302 PolarHBondContact O-N 3.3Å; R299-R303 PolarHBondContact O-N 3.06Å; R299-D363 WeakPolarHBondContact CD-OD2 3.11Å; R299-E364 HydrophobicContact CG-CG 3.92Å; R299-E364 IonicContact CZ-OE2 2.87Å; R299-E364 VanDerWaalsContact CZ-OE2 3.28Å; R299-E364 IonicContact NE-OE1 2.67Å; R299-E364 IonicContact NE-OE2 3.89Å; R299-E364 PolarHBondContact NE-OE2 3.05Å; R299-E364 IonicContact NH2-OE2 3.87Å; R299-E364 PolarHBondContact NH2-OE2 3.21Å; R299-R486 HydrophobicContact CG-CG 3.9Å; R299-R486 PolarHBondContact NH1-O 2.88Å; R299-A489 HydrophobicContact CB-CB 4.26Å; R299-S490 PolarHBondContact NH1-OG 3.13Å |
| 300 | Q | 91.7 | Very high | 82.1 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.3 | -33.2 | 175.3 | 178.2 | 68.7 | 75.2 | 0 | 0 | 111.7 | I296 S297 R303 F304 E364 L366 | I296-Q300 HydrophobicContact CG2-CB 3.65Å; I296-Q300 HydrophobicContact CG2-CG 3.58Å; S297-Q300 PolarHBondContact O-N 2.99Å; S297-Q300 WeakPolarHBondContact OG-CB 3.48Å; S297-Q300 PolarHBondContact OG-N 2.75Å; Q300-R303 WeakPolarHBondContact O-CB 3.39Å; Q300-R303 PolarHBondContact O-N 3.04Å; Q300-F304 HydrophobicContact CG-CD2 4.46Å; Q300-F304 HydrophobicContact CG-CE1 4.37Å; Q300-F304 HydrophobicContact CG-CE2 3.85Å; Q300-F304 HydrophobicContact CG-CZ 3.81Å; Q300-F304 WeakPolarHBondContact O-CD2 3.29Å; Q300-F304 WeakPolarHBondContact O-CG 3.49Å; Q300-F304 PolarHBondContact O-N 3.29Å; Q300-E364 VanDerWaalsContact OE1-C 3.24Å; Q300-L366 PolarHBondContact NE2-O 3.41Å |
| 301 | A | 94 | Very high | 84.2 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I296 S297 H298 R299 R303 F304 T305 L420 | I296-A301 HydrophobicContact CG2-CB 4.25Å; S297-A301 PolarHBondContact O-N 2.89Å; H298-A301 WeakPolarHBondContact O-CB 3.08Å; H298-A301 PolarHBondContact O-N 3.14Å; R299-A301 VanDerWaalsContact C-N 3.29Å; R299-A301 PolarHBondContact O-N 3.4Å; A301-R303 VanDerWaalsContact C-N 3.32Å; A301-F304 PolarHBondContact O-N 2.99Å; A301-T305 PolarHBondContact O-N 2.76Å; A301-T305 PolarHBondContact O-OG1 3.23Å; A301-L420 HydrophobicContact CB-CB 4.34Å; A301-L420 HydrophobicContact CB-CD2 4.18Å |
| 302 | L | 94.6 | Very high | 86.4 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68 | -32.2 | 173.4 | -70.1 | 170.9 | 0 | 0 | 0 | 112 | H298 R299 T305 V306 M485 R486 A489 | H298-L302 PolarHBondContact O-N 2.64Å; H298-L302 VanDerWaalsContact O-N 3.09Å; R299-L302 CarbonylContact O-C 3.54Å; R299-L302 PolarHBondContact O-N 3.3Å; L302-T305 WeakPolarHBondContact O-CB 3.43Å; L302-T305 PolarHBondContact O-N 2.96Å; L302-V306 WeakPolarHBondContact O-CG2 3.19Å; L302-V306 PolarHBondContact O-N 3.17Å; L302-M485 HydrophobicContact CD1-CB 4.35Å; L302-M485 HydrophobicContact CD2-CB 4.45Å; L302-R486 HydrophobicContact CB-CB 3.86Å; L302-R486 HydrophobicContact CB-CG 4.02Å; L302-A489 HydrophobicContact CD1-CB 3.95Å |
| 303 | R | 93.6 | Very high | 88.8 | Confident | 27 Ų | 27 | 32.6 Ų | 32.6 | 10% | 0.102 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.5 | -49.2 | 170.4 | 175.7 | 57.6 | 173.8 | 148.6 | 4.3 | 111.4 | R299 Q300 A301 T305 V306 D307 D337 E364 | R299-R303 PolarHBondContact O-N 3.06Å; Q300-R303 WeakPolarHBondContact O-CB 3.39Å; Q300-R303 PolarHBondContact O-N 3.04Å; A301-R303 VanDerWaalsContact C-N 3.32Å; R303-T305 VanDerWaalsContact C-N 3.25Å; R303-T305 PolarHBondContact O-N 2.77Å; R303-V306 WeakPolarHBondContact O-CB 3.15Å; R303-V306 PolarHBondContact O-N 3.33Å; R303-V306 VanDerWaalsContact O-N 3.14Å; R303-D307 IonicContact CZ-OD1 3.11Å; R303-D307 IonicContact CZ-OD2 2.71Å; R303-D307 IonicContact NE-OD1 3.1Å; R303-D307 IonicContact NE-OD2 3.08Å; R303-D307 IonicContact NH1-OD1 3.01Å; R303-D307 PolarHBondContact NH1-OD1 3.22Å; R303-D307 IonicContact NH2-OD1 2.64Å; R303-D307 PolarHBondContact NH2-OD1 3.45Å; R303-D307 PolarHBondContact O-N 3.45Å; R303-D337 IonicContact NH2-OD2 3.94Å; R303-D337 PolarHBondContact NH2-OD2 3.38Å; R303-E364 HydrophobicContact CB-CG 4.38Å; R303-E364 HydrophobicContact CG-CB 4.43Å |
| 304 | F | 96.9 | Very high | 91 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59 | -38.8 | 174.5 | -64.2 | -35.6 | 0 | 0 | 0 | 112.2 | L278 I296 Q300 A301 V306 D307 I308 V334 L366 A368 L420 | L278-F304 HydrophobicContact CD1-CD2 3.77Å; L278-F304 HydrophobicContact CD1-CE2 4.06Å; L278-F304 HydrophobicContact CD1-CG 4.34Å; I296-F304 HydrophobicContact CD1-CE2 3.78Å; I296-F304 HydrophobicContact CG1-CE2 4.22Å; I296-F304 HydrophobicContact CG2-CD2 4.47Å; I296-F304 HydrophobicContact CG2-CE2 4Å; Q300-F304 HydrophobicContact CG-CD2 4.46Å; Q300-F304 HydrophobicContact CG-CE1 4.37Å; Q300-F304 HydrophobicContact CG-CE2 3.85Å; Q300-F304 HydrophobicContact CG-CZ 3.81Å; Q300-F304 WeakPolarHBondContact O-CD2 3.29Å; Q300-F304 WeakPolarHBondContact O-CG 3.49Å; Q300-F304 PolarHBondContact O-N 3.29Å; A301-F304 PolarHBondContact O-N 2.99Å; F304-V306 PolarHBondContact O-N 3.13Å; F304-D307 PolarHBondContact O-N 3.43Å; F304-I308 WeakPolarHBondContact O-CB 3.35Å; F304-I308 WeakPolarHBondContact O-CD1 3.43Å; F304-I308 VanDerWaalsContact O-CG1 3.23Å; F304-I308 WeakPolarHBondContact O-CG1 3.41Å; F304-I308 PolarHBondContact O-N 2.93Å; F304-V334 HydrophobicContact CE1-CG1 3.99Å; F304-V334 HydrophobicContact CE1-CG2 4.39Å; F304-V334 HydrophobicContact CZ-CG1 3.84Å; F304-V334 HydrophobicContact CZ-CG2 4.32Å; F304-L366 HydrophobicContact CE1-CB 3.69Å; F304-L366 HydrophobicContact CZ-CB 3.72Å; F304-L366 HydrophobicContact CZ-CD1 4.04Å; F304-A368 HydrophobicContact CB-CB 4.24Å; F304-A368 HydrophobicContact CD1-CB 3.7Å; F304-A368 HydrophobicContact CE1-CB 4.46Å; F304-A368 HydrophobicContact CG-CB 4.31Å; F304-L420 HydrophobicContact CB-CD1 4.25Å; F304-L420 HydrophobicContact CB-CD2 4.22Å; F304-L420 HydrophobicContact CD2-CD2 3.96Å |
| 305 | T | 97.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 175.7 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | A301 L302 R303 A309 F413 L417 L420 L482 | A301-T305 PolarHBondContact O-N 2.76Å; A301-T305 PolarHBondContact O-OG1 3.23Å; L302-T305 WeakPolarHBondContact O-CB 3.43Å; L302-T305 PolarHBondContact O-N 2.96Å; R303-T305 VanDerWaalsContact C-N 3.25Å; R303-T305 PolarHBondContact O-N 2.77Å; T305-A309 WeakPolarHBondContact O-CB 3.44Å; T305-A309 PolarHBondContact O-N 3.04Å; T305-F413 HydrophobicContact CG2-CE1 4.32Å; T305-F413 HydrophobicContact CG2-CE2 3.83Å; T305-F413 HydrophobicContact CG2-CZ 3.39Å; T305-F413 WeakPolarHBondContact O-CE2 3.34Å; T305-L417 HydrophobicContact CG2-CD1 3.99Å; T305-L420 VanDerWaalsContact OG1-CD1 3.31Å; T305-L420 WeakPolarHBondContact OG1-CD1 3.38Å; T305-L482 HydrophobicContact CG2-CD1 4.02Å; T305-L482 HydrophobicContact CG2-CD2 3.5Å; T305-L482 VanDerWaalsContact CG2-CD2 3.5Å; T305-L482 HydrophobicContact CG2-CG 4.35Å |
| 306 | V | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | L302 R303 F304 I308 A309 K310 I479 L482 D483 | L302-V306 WeakPolarHBondContact O-CG2 3.19Å; L302-V306 PolarHBondContact O-N 3.17Å; R303-V306 WeakPolarHBondContact O-CB 3.15Å; R303-V306 PolarHBondContact O-N 3.33Å; R303-V306 VanDerWaalsContact O-N 3.14Å; F304-V306 PolarHBondContact O-N 3.13Å; V306-I308 PolarHBondContact O-N 2.81Å; V306-A309 PolarHBondContact O-N 3.18Å; V306-K310 HydrophobicContact CG1-CD 4.04Å; V306-K310 HydrophobicContact CG1-CG 4.43Å; V306-K310 WeakPolarHBondContact O-CG 3.5Å; V306-K310 PolarHBondContact O-N 2.92Å; V306-I479 HydrophobicContact CG1-CG2 4.48Å; V306-L482 HydrophobicContact CG2-CB 3.56Å; V306-D483 WeakPolarHBondContact CG1-OD1 3.36Å |
| 307 | D | 96.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.9 | -45.5 | -178.1 | -76.6 | -18.4 | 0 | 0 | 0 | 112.2 | N252 R303 F304 K310 G311 A368 | N252-D307 VanDerWaalsContact CB-O 3.23Å; N252-D307 WeakPolarHBondContact CB-O 3.13Å; N252-D307 VanDerWaalsContact CG-O 3.27Å; N252-D307 WeakPolarHBondContact ND2-CB 3.48Å; N252-D307 PolarHBondContact ND2-OD1 3.36Å; N252-D307 VanDerWaalsContact ND2-OD1 3.12Å; R303-D307 IonicContact CZ-OD1 3.11Å; R303-D307 IonicContact CZ-OD2 2.71Å; R303-D307 IonicContact NE-OD1 3.1Å; R303-D307 IonicContact NE-OD2 3.08Å; R303-D307 IonicContact NH1-OD1 3.01Å; R303-D307 PolarHBondContact NH1-OD1 3.22Å; R303-D307 IonicContact NH2-OD1 2.64Å; R303-D307 PolarHBondContact NH2-OD1 3.45Å; R303-D307 PolarHBondContact O-N 3.45Å; F304-D307 PolarHBondContact O-N 3.43Å; D307-K310 PolarHBondContact O-N 3.23Å; D307-G311 PolarHBondContact O-N 2.86Å; D307-A368 HydrophobicContact CB-CB 3.85Å; D307-A368 PolarHBondContact OD2-N 3.28Å |
| 308 | I | 98.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 175.6 | -65.8 | 165.8 | 0 | 0 | 0 | 110.2 | L278 F304 V306 K310 G311 M312 L327 V332 A368 L370 F413 I416 | L278-I308 HydrophobicContact CD2-CD1 3.97Å; F304-I308 WeakPolarHBondContact O-CB 3.35Å; F304-I308 WeakPolarHBondContact O-CD1 3.43Å; F304-I308 VanDerWaalsContact O-CG1 3.23Å; F304-I308 WeakPolarHBondContact O-CG1 3.41Å; F304-I308 PolarHBondContact O-N 2.93Å; V306-I308 PolarHBondContact O-N 2.81Å; I308-K310 VanDerWaalsContact C-N 3.34Å; I308-K310 PolarHBondContact O-N 3.24Å; I308-G311 PolarHBondContact O-N 2.91Å; I308-M312 HydrophobicContact CG2-CG 4.32Å; I308-M312 WeakPolarHBondContact O-CG 3.34Å; I308-M312 PolarHBondContact O-N 3.07Å; I308-L327 HydrophobicContact CG2-CD1 3.93Å; I308-L327 HydrophobicContact CG2-CD2 4.2Å; I308-V332 HydrophobicContact CD1-CG1 4.1Å; I308-V332 HydrophobicContact CD1-CG2 4.1Å; I308-V332 HydrophobicContact CG1-CG1 4Å; I308-V332 HydrophobicContact CG1-CG2 4.18Å; I308-A368 HydrophobicContact CG1-CB 4.26Å; I308-L370 HydrophobicContact CG2-CD2 4.26Å; I308-F413 HydrophobicContact CB-CD2 4.45Å; I308-F413 HydrophobicContact CB-CE2 4.31Å; I308-F413 HydrophobicContact CG2-CD2 3.76Å; I308-F413 HydrophobicContact CG2-CE2 4.1Å; I308-I416 HydrophobicContact CD1-CG2 3.8Å |
| 309 | A | 98.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.8 | -40.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T305 V306 M312 E313 F413 F474 I479 L482 | T305-A309 WeakPolarHBondContact O-CB 3.44Å; T305-A309 PolarHBondContact O-N 3.04Å; V306-A309 PolarHBondContact O-N 3.18Å; A309-M312 PolarHBondContact O-N 3.41Å; A309-E313 WeakPolarHBondContact O-CB 3.41Å; A309-E313 PolarHBondContact O-N 2.74Å; A309-F413 HydrophobicContact CB-CE2 3.97Å; A309-F413 HydrophobicContact CB-CZ 4.05Å; A309-F474 HydrophobicContact CB-CD1 4.11Å; A309-F474 HydrophobicContact CB-CE1 4.46Å; A309-I479 HydrophobicContact CB-CG1 4.21Å; A309-L482 HydrophobicContact CB-CD1 3.75Å |
| 310 | K | 95.9 | Very high | 91.8 | Very high | 64 Ų | 64 | 27.1 Ų | 27.1 | 28% | 0.278 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -64.2 | -46 | 174.4 | -73.8 | 177.8 | 177.9 | -177.5 | 0 | 112 | V306 D307 I308 M312 E313 F314 I479 | V306-K310 HydrophobicContact CG1-CD 4.04Å; V306-K310 HydrophobicContact CG1-CG 4.43Å; V306-K310 WeakPolarHBondContact O-CG 3.5Å; V306-K310 PolarHBondContact O-N 2.92Å; D307-K310 PolarHBondContact O-N 3.23Å; I308-K310 VanDerWaalsContact C-N 3.34Å; I308-K310 PolarHBondContact O-N 3.24Å; K310-M312 VanDerWaalsContact C-N 3.31Å; K310-M312 PolarHBondContact O-N 2.92Å; K310-E313 PolarHBondContact O-N 3.09Å; K310-F314 PolarHBondContact O-N 3.37Å; K310-F314 VanDerWaalsContact O-N 3.12Å; K310-I479 HydrophobicContact CG-CD1 3.96Å; K310-I479 HydrophobicContact CG-CG1 4.3Å; K310-I479 HydrophobicContact CG-CG2 4.09Å |
| 311 | G | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.6 | -42.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D307 I308 F314 L315 L370 | D307-G311 PolarHBondContact O-N 2.86Å; I308-G311 PolarHBondContact O-N 2.91Å; G311-F314 PolarHBondContact O-N 3.25Å; G311-L315 WeakPolarHBondContact O-CG 3.47Å; G311-L315 PolarHBondContact O-N 3.04Å; G311-L370 VanDerWaalsContact C-CD1 3.49Å |
| 312 | M | 96.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -72.2 | -38.3 | 179.5 | -68.5 | -55.7 | -54 | 0 | 0 | 113.1 | I308 A309 K310 F314 L315 H316 F325 L327 L370 D409 F474 | I308-M312 HydrophobicContact CG2-CG 4.32Å; I308-M312 WeakPolarHBondContact O-CG 3.34Å; I308-M312 PolarHBondContact O-N 3.07Å; A309-M312 PolarHBondContact O-N 3.41Å; K310-M312 VanDerWaalsContact C-N 3.31Å; K310-M312 PolarHBondContact O-N 2.92Å; M312-F314 PolarHBondContact O-N 3.42Å; M312-L315 PolarHBondContact O-N 3.5Å; M312-L315 HydrophobicContact SD-CD1 4.33Å; M312-H316 WeakPolarHBondContact CE-NE2 3.45Å; M312-H316 WeakPolarHBondContact O-CB 3.42Å; M312-H316 PolarHBondContact O-N 2.98Å; M312-F325 HydrophobicContact SD-CD1 4.29Å; M312-F325 HydrophobicContact SD-CE1 4.15Å; M312-L327 HydrophobicContact CG-CD2 3.93Å; M312-L327 HydrophobicContact SD-CB 4.39Å; M312-L327 HydrophobicContact SD-CD1 4.17Å; M312-L327 HydrophobicContact SD-CD2 4.01Å; M312-L327 HydrophobicContact SD-CG 4.42Å; M312-L370 HydrophobicContact CG-CD1 4.04Å; M312-L370 HydrophobicContact SD-CD1 3.53Å; M312-L370 VanDerWaalsContact SD-CD1 3.53Å; M312-D409 HydrophobicContact CE-CB 3.77Å; M312-F474 HydrophobicContact CB-CB 4.4Å; M312-F474 HydrophobicContact CB-CD1 3.7Å; M312-F474 HydrophobicContact CB-CD2 3.74Å; M312-F474 HydrophobicContact CB-CE1 3.77Å; M312-F474 HydrophobicContact CB-CE2 3.81Å; M312-F474 HydrophobicContact CB-CG 3.67Å; M312-F474 HydrophobicContact CB-CZ 3.82Å; M312-F474 HydrophobicContact CE-CE2 4.41Å; M312-F474 HydrophobicContact CG-CE1 4.13Å; M312-F474 HydrophobicContact CG-CE2 4.27Å; M312-F474 HydrophobicContact CG-CZ 3.98Å |
| 313 | E | 94.6 | Very high | 88.8 | Confident | 73 Ų | 73 | 37.8 Ų | 37.8 | 34% | 0.341 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -54.4 | -45.9 | 171 | -176.6 | -151.4 | -139.6 | 0 | 0 | 110.3 | A309 K310 H316 S317 F474 I479 | A309-E313 WeakPolarHBondContact O-CB 3.41Å; A309-E313 PolarHBondContact O-N 2.74Å; K310-E313 PolarHBondContact O-N 3.09Å; E313-H316 PolarHBondContact O-N 2.83Å; E313-S317 PolarHBondContact O-N 3.27Å; E313-F474 HydrophobicContact CB-CB 4.01Å; E313-I479 HydrophobicContact CB-CD1 4.19Å; E313-I479 HydrophobicContact CG-CD1 4.43Å |
| 314 | F | 91.9 | Very high | 88.4 | Confident | 36 Ų | 36 | 38.6 Ų | 38.6 | 16% | 0.158 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.9 | -44.6 | 178.5 | -173 | -95.8 | 0 | 0 | 0 | 112.8 | I23 I247 N249 H250 I253 K310 G311 M312 H316 S317 L320 | I23-F314 HydrophobicContact CG2-CZ 4.34Å; I247-F314 HydrophobicContact CG2-CD1 4.37Å; I247-F314 HydrophobicContact CG2-CE1 3.57Å; I247-F314 HydrophobicContact CG2-CZ 4.36Å; N249-F314 WeakPolarHBondContact OD1-CZ 3.3Å; H250-F314 HydrophobicContact CB-CD1 4.04Å; H250-F314 HydrophobicContact CB-CD2 4.46Å; H250-F314 HydrophobicContact CB-CE1 4.06Å; H250-F314 HydrophobicContact CB-CG 4.22Å; H250-F314 HydrophobicContact CB-CZ 4.3Å; H250-F314 AromaticContact CD2-CD2 3.55Å; H250-F314 AromaticContact CD2-CG 3.49Å; H250-F314 VanDerWaalsContact CD2-CG 3.49Å; H250-F314 WeakPolarHBondContact CD2-CG 3.49Å; H250-F314 AromaticContact CG-CG 3.87Å; I253-F314 HydrophobicContact CD1-CD1 3.36Å; I253-F314 HydrophobicContact CD1-CE1 3.94Å; I253-F314 HydrophobicContact CD1-CG 4.28Å; K310-F314 PolarHBondContact O-N 3.37Å; K310-F314 VanDerWaalsContact O-N 3.12Å; G311-F314 PolarHBondContact O-N 3.25Å; M312-F314 PolarHBondContact O-N 3.42Å; F314-H316 PolarHBondContact O-N 2.79Å; F314-S317 VanDerWaalsContact O-CB 3.25Å; F314-S317 WeakPolarHBondContact O-CB 3.48Å; F314-S317 PolarHBondContact O-N 3.38Å; F314-S317 VanDerWaalsContact O-N 3.12Å; F314-S317 PolarHBondContact O-OG 3.26Å; F314-L320 HydrophobicContact CD1-CD2 3.58Å; F314-L320 HydrophobicContact CE1-CD2 3.26Å; F314-L320 HydrophobicContact CZ-CD2 4.16Å |
| 315 | L | 92.5 | Very high | 88.1 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.2 | -16.3 | 176.7 | -68.2 | -177.1 | 0 | 0 | 0 | 114.1 | I247 I253 G311 M312 L320 V322 F325 L370 M372 | I247-L315 HydrophobicContact CD1-CD2 3.79Å; I253-L315 HydrophobicContact CD1-CD2 3.73Å; I253-L315 HydrophobicContact CD1-CG 4.01Å; G311-L315 WeakPolarHBondContact O-CG 3.47Å; G311-L315 PolarHBondContact O-N 3.04Å; M312-L315 PolarHBondContact O-N 3.5Å; M312-L315 HydrophobicContact SD-CD1 4.33Å; L315-L320 HydrophobicContact CD2-CD2 3.87Å; L315-V322 HydrophobicContact CD2-CG2 4.2Å; L315-F325 HydrophobicContact CD1-CD1 4.19Å; L315-F325 HydrophobicContact CD1-CG 4.49Å; L315-L370 HydrophobicContact CD1-CD1 3.59Å; L315-L370 HydrophobicContact CG-CD1 4.38Å; L315-M372 HydrophobicContact CD1-CE 3.82Å; L315-M372 HydrophobicContact CD1-SD 4.43Å; L315-M372 HydrophobicContact CD2-SD 4.18Å |
| 316 | H | 91.4 | Very high | 87.8 | Confident | 37 Ų | 37 | 41.2 Ų | 41.2 | 17% | 0.171 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 1.5 | 173.7 | -69.9 | 179.3 | 0 | 0 | 0 | 112.6 | M312 E313 F314 E406 D409 F474 | M312-H316 WeakPolarHBondContact CE-NE2 3.45Å; M312-H316 WeakPolarHBondContact O-CB 3.42Å; M312-H316 PolarHBondContact O-N 2.98Å; E313-H316 PolarHBondContact O-N 2.83Å; F314-H316 PolarHBondContact O-N 2.79Å; H316-E406 HydrophobicContact CB-CG 4.35Å; H316-E406 VanDerWaalsContact CE1-CA 3.44Å; H316-E406 WeakPolarHBondContact CE1-CA 3.44Å; H316-D409 IonicContact CD2-OD2 3.7Å; H316-D409 IonicContact CE1-OD2 2.69Å; H316-D409 PolarHBondContact CE1-OD2 2.64Å; H316-D409 IonicContact NE2-OD2 3.58Å; H316-D409 PolarHBondContact NE2-OD2 3.44Å; H316-F474 AromaticContact CE1-CD2 3.56Å; H316-F474 AromaticContact CE1-CE2 3.75Å; H316-F474 AromaticContact ND1-CD2 3.46Å; H316-F474 WeakPolarHBondContact ND1-CD2 3.45Å |
| 317 | S | 86.9 | Confident | 87.8 | Confident | 25 Ų | 25 | 41.4 Ų | 41.4 | 18% | 0.175 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -59.2 | 142.5 | 175.4 | 65.4 | 0 | 0 | 0 | 0 | 111 | E313 F314 E319 L320 | E313-S317 PolarHBondContact O-N 3.27Å; F314-S317 VanDerWaalsContact O-CB 3.25Å; F314-S317 WeakPolarHBondContact O-CB 3.48Å; F314-S317 PolarHBondContact O-N 3.38Å; F314-S317 VanDerWaalsContact O-N 3.12Å; F314-S317 PolarHBondContact O-OG 3.26Å; S317-E319 WeakPolarHBondContact CB-OE2 3.48Å; S317-E319 PolarHBondContact O-N 3.25Å; S317-E319 VanDerWaalsContact O-N 3.08Å; S317-L320 CarbonylContact O-C 3.53Å; S317-L320 PolarHBondContact O-N 3.46Å; S317-L320 WeakPolarHBondContact OG-CB 3.49Å |
| 318 | P | 81.1 | Confident | 87.9 | Confident | 105 Ų | 105 | 41.5 Ų | 41.5 | 68% | 0.682 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -29.9 | -179.6 | -27 | 35.1 | 0 | 0 | 0 | 113.9 | ||
| 319 | E | 72.2 | Confident | 87.8 | Confident | 164 Ų | 164 | 41.5 Ų | 41.5 | 77% | 0.766 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -30.4 | -179.3 | -57.5 | 80.4 | -168 | 0 | 0 | 112.7 | S317 | S317-E319 WeakPolarHBondContact CB-OE2 3.48Å; S317-E319 PolarHBondContact O-N 3.25Å; S317-E319 VanDerWaalsContact O-N 3.08Å |
| 320 | L | 72 | Confident | 87.7 | Confident | 14 Ų | 14 | 45.2 Ų | 45.2 | 7% | 0.073 | 22% | 0.224 | C | C | . | . | trans | -119.7 | 88 | -173.8 | -174.3 | 62.3 | 0 | 0 | 0 | 111.1 | I23 I247 F314 L315 S317 V322 | I23-L320 HydrophobicContact CD1-CD1 3.83Å; I23-L320 HydrophobicContact CG2-CD1 4.21Å; I23-L320 HydrophobicContact CG2-CD2 4.35Å; I247-L320 HydrophobicContact CD1-CD1 4.36Å; I247-L320 HydrophobicContact CD1-CD2 3.82Å; I247-L320 HydrophobicContact CG1-CD2 4.26Å; F314-L320 HydrophobicContact CD1-CD2 3.58Å; F314-L320 HydrophobicContact CE1-CD2 3.26Å; F314-L320 HydrophobicContact CZ-CD2 4.16Å; L315-L320 HydrophobicContact CD2-CD2 3.87Å; S317-L320 CarbonylContact O-C 3.53Å; S317-L320 PolarHBondContact O-N 3.46Å; S317-L320 WeakPolarHBondContact OG-CB 3.49Å; L320-V322 HydrophobicContact CD1-CG2 3.92Å; L320-V322 HydrophobicContact CG-CG2 4Å; L320-V322 PolarHBondContact O-N 2.96Å | ||
| 321 | K | 67.1 | Low | 87.7 | Confident | 163 Ų | 163 | 43.4 Ų | 43.4 | 71% | 0.709 | 22% | 0.216 | S | C | * | . | trans | -93.3 | 97.6 | 173.6 | -65.2 | -174.9 | -177.8 | -178.3 | 0 | 110.6 | P323 | K321-P323 WeakPolarHBondContact O-CD 3.16Š| ||
| 322 | V | 77.5 | Confident | 87.9 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | trans | -102.7 | 81.9 | 170.9 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | L245 I247 L315 L320 N324 F325 Y375 | L245-V322 HydrophobicContact CD2-CG1 4.42Å; I247-V322 HydrophobicContact CD1-CG2 4.45Å; L315-V322 HydrophobicContact CD2-CG2 4.2Å; L320-V322 HydrophobicContact CD1-CG2 3.92Å; L320-V322 HydrophobicContact CG-CG2 4Å; L320-V322 PolarHBondContact O-N 2.96Å; V322-N324 VanDerWaalsContact C-N 3.32Å; V322-N324 PolarHBondContact O-N 2.99Å; V322-F325 HydrophobicContact CG1-CB 4.34Å; V322-Y375 HydrophobicContact CG1-CD2 3.55Å; V322-Y375 HydrophobicContact CG1-CE2 3.72Å | ||
| 323 | P | 72.8 | Confident | 87.9 | Confident | 58 Ų | 58 | 44.6 Ų | 44.6 | 38% | 0.377 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -17.7 | -164.5 | 29.7 | -38.5 | 0 | 0 | 0 | 115.1 | K321 L405 | K321-P323 WeakPolarHBondContact O-CD 3.16Å; P323-L405 HydrophobicContact CB-CD1 4.21Å |
| 324 | N | 84.2 | Confident | 87.8 | Confident | 44 Ų | 44 | 41.1 Ų | 41.1 | 24% | 0.235 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 24 | -171.8 | -53.4 | -45.1 | 0 | 0 | 0 | 113.3 | V322 Y375 K376 | V322-N324 VanDerWaalsContact C-N 3.32Å; V322-N324 PolarHBondContact O-N 2.99Å; N324-Y375 HydrophobicContact CB-CD2 4.09Å; N324-Y375 HydrophobicContact CB-CE2 3.51Å; N324-Y375 PolarHBondContact ND2-OH 3.42Å; N324-K376 HydrophobicContact CB-CB 4.38Å; N324-K376 VanDerWaalsContact CB-O 3.24Å; N324-K376 WeakPolarHBondContact CB-O 3.48Å; N324-K376 PolarHBondContact O-N 2.84Å |
| 325 | F | 90.9 | Very high | 87.6 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | trans | -81.5 | 130 | 164.7 | -176.6 | -104 | 0 | 0 | 0 | 109.3 | M312 L315 V322 L327 H331 L370 D371 M372 | M312-F325 HydrophobicContact SD-CD1 4.29Å; M312-F325 HydrophobicContact SD-CE1 4.15Å; L315-F325 HydrophobicContact CD1-CD1 4.19Å; L315-F325 HydrophobicContact CD1-CG 4.49Å; V322-F325 HydrophobicContact CG1-CB 4.34Å; F325-L327 HydrophobicContact CE1-CB 4.16Å; F325-L327 HydrophobicContact CE1-CD1 4.1Å; F325-H331 HydrophobicContact CE2-CB 4.26Å; F325-H331 HydrophobicContact CZ-CB 4.15Å; F325-L370 HydrophobicContact CE1-CB 4.34Å; F325-L370 HydrophobicContact CE1-CD1 4.32Å; F325-L370 HydrophobicContact CE1-CD2 4.31Å; F325-L370 HydrophobicContact CZ-CB 3.94Å; F325-L370 HydrophobicContact CZ-CD2 4.31Å; F325-D371 VanDerWaalsContact CE2-O 3.3Å; F325-D371 WeakPolarHBondContact CE2-O 3.34Å; F325-M372 HydrophobicContact CD2-CE 3.88Å; F325-M372 HydrophobicContact CE2-CE 3.86Å; F325-M372 HydrophobicContact CG-CE 4.41Å; F325-M372 HydrophobicContact CZ-CE 4.34Å | ||
| 326 | R | 92.4 | Very high | 87.1 | Confident | 51 Ų | 51 | 43.3 Ų | 43.3 | 19% | 0.192 | 22% | 0.217 | C | C | . | . | trans | -108.5 | 99.4 | 179 | -65.3 | -58.6 | -163.9 | -162.5 | 3.5 | 109.4 | N328 H331 E385 | R326-N328 PolarHBondContact O-N 3.44Å; R326-N328 PolarHBondContact O-ND2 3.22Å; R326-N328 VanDerWaalsContact O-ND2 3.11Å; R326-H331 PolarHBondContact O-ND1 3.21Å; R326-E385 IonicContact NH2-OE1 3.05Å | ||
| 327 | L | 96.8 | Very high | 86.4 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | trans | -63.9 | 124 | -179.7 | -178.7 | 63.7 | 0 | 0 | 0 | 111.3 | I308 M312 F325 V332 L370 S412 F413 I416 | I308-L327 HydrophobicContact CG2-CD1 3.93Å; I308-L327 HydrophobicContact CG2-CD2 4.2Å; M312-L327 HydrophobicContact CG-CD2 3.93Å; M312-L327 HydrophobicContact SD-CB 4.39Å; M312-L327 HydrophobicContact SD-CD1 4.17Å; M312-L327 HydrophobicContact SD-CD2 4.01Å; M312-L327 HydrophobicContact SD-CG 4.42Å; F325-L327 HydrophobicContact CE1-CB 4.16Å; F325-L327 HydrophobicContact CE1-CD1 4.1Å; L327-V332 HydrophobicContact CD1-CG2 4.12Å; L327-L370 HydrophobicContact CD1-CD2 3.9Å; L327-S412 VanDerWaalsContact O-CB 3.27Å; L327-S412 WeakPolarHBondContact O-CB 3.39Å; L327-F413 HydrophobicContact CD2-CB 3.9Å; L327-I416 HydrophobicContact CD1-CD1 3.73Å; L327-I416 HydrophobicContact CD2-CD1 4.21Å; L327-I416 HydrophobicContact CG-CD1 3.67Å | ||
| 328 | N | 97.4 | Very high | 85.2 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -162.9 | 166.8 | 168.9 | 64.8 | 79 | 0 | 0 | 0 | 109.1 | R326 K330 H331 W390 | R326-N328 PolarHBondContact O-N 3.44Å; R326-N328 PolarHBondContact O-ND2 3.22Å; R326-N328 VanDerWaalsContact O-ND2 3.11Å; N328-K330 PolarHBondContact O-N 2.94Å; N328-K330 WeakPolarHBondContact OD1-CA 3.48Å; N328-K330 VanDerWaalsContact OD1-CB 3.24Å; N328-K330 WeakPolarHBondContact OD1-CB 3.45Å; N328-K330 PolarHBondContact OD1-N 2.85Å; N328-H331 PolarHBondContact ND2-CE1 3.42Å; N328-H331 VanDerWaalsContact ND2-CG 3.33Å; N328-H331 PolarHBondContact ND2-ND1 3.04Å; N328-H331 PolarHBondContact O-N 3.28Å; N328-H331 PolarHBondContact OD1-N 3.39Å; N328-W390 HydrophobicContact CB-CB 3.75Å; N328-W390 HydrophobicContact CB-CD2 3.63Å; N328-W390 HydrophobicContact CB-CE3 4.08Å; N328-W390 HydrophobicContact CB-CG 3.45Å; N328-W390 VanDerWaalsContact CB-CG 3.45Å |
| 329 | S | 97.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -65.2 | -19.2 | -175.6 | 56.1 | 0 | 0 | 0 | 0 | 114.9 | L278 F279 W390 E419 | L278-S329 WeakPolarHBondContact CB-O 3.16Å; L278-S329 PolarHBondContact N-O 3.31Å; F279-S329 PolarHBondContact N-O 3.25Å; S329-W390 VanDerWaalsContact OG-CZ2 3.24Å; S329-W390 WeakPolarHBondContact OG-CZ2 3.37Å; S329-E419 WeakPolarHBondContact CB-OE1 3.18Å; S329-E419 WeakPolarHBondContact CB-OE2 3.42Å; S329-E419 PolarHBondContact OG-OE1 2.9Å; S329-E419 PolarHBondContact OG-OE2 3.41Å |
| 330 | K | 95.7 | Very high | 83 | Confident | 78 Ų | 78 | 33.3 Ų | 33.3 | 34% | 0.339 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -78.7 | -20.8 | 174.5 | -56.2 | 176.7 | -178.6 | 173 | 0 | 112.9 | S277 F279 N328 N387 | S277-K330 WeakPolarHBondContact CB-O 3.29Å; F279-K330 HydrophobicContact CB-CB 4.41Å; F279-K330 HydrophobicContact CB-CG 3.67Å; F279-K330 HydrophobicContact CD1-CG 4.37Å; F279-K330 HydrophobicContact CD2-CG 3.99Å; F279-K330 HydrophobicContact CG-CG 3.74Å; N328-K330 PolarHBondContact O-N 2.94Å; N328-K330 WeakPolarHBondContact OD1-CA 3.48Å; N328-K330 VanDerWaalsContact OD1-CB 3.24Å; N328-K330 WeakPolarHBondContact OD1-CB 3.45Å; N328-K330 PolarHBondContact OD1-N 2.85Å; K330-N387 PolarHBondContact NZ-OD1 3.25Å |
| 331 | H | 96.3 | Very high | 81.8 | Confident | 26 Ų | 26 | 35 Ų | 35 | 12% | 0.12 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -101.6 | 13.6 | -179.6 | -57.3 | 175.8 | 0 | 0 | 0 | 112.9 | F325 R326 N328 D371 D374 | F325-H331 HydrophobicContact CE2-CB 4.26Å; F325-H331 HydrophobicContact CZ-CB 4.15Å; R326-H331 PolarHBondContact O-ND1 3.21Å; N328-H331 PolarHBondContact ND2-CE1 3.42Å; N328-H331 VanDerWaalsContact ND2-CG 3.33Å; N328-H331 PolarHBondContact ND2-ND1 3.04Å; N328-H331 PolarHBondContact O-N 3.28Å; N328-H331 PolarHBondContact OD1-N 3.39Å; H331-D371 PolarHBondContact O-N 3.29Å; H331-D374 VanDerWaalsContact CA-OD2 3.31Å; H331-D374 WeakPolarHBondContact CA-OD2 3.5Å; H331-D374 HydrophobicContact CB-CB 3.82Å; H331-D374 IonicContact CD2-OD1 3.91Å; H331-D374 IonicContact CD2-OD2 2.75Å; H331-D374 PolarHBondContact CD2-OD2 3.48Å; H331-D374 VanDerWaalsContact CG-CB 3.48Å; H331-D374 IonicContact CG-OD2 3.6Å; H331-D374 IonicContact NE2-OD1 3.43Å |
| 332 | V | 97.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.6 | 171.9 | 178.8 | 0 | 0 | 0 | 0 | 106.2 | S277 L278 I308 L327 A368 R369 L370 | S277-V332 CarbonylContact C-O 3.51Å; S277-V332 WeakPolarHBondContact CA-O 3.47Å; L278-V332 HydrophobicContact CB-CB 3.99Å; L278-V332 HydrophobicContact CB-CG1 4.1Å; L278-V332 HydrophobicContact CD2-CB 4.48Å; L278-V332 HydrophobicContact CD2-CG1 4.36Å; L278-V332 PolarHBondContact N-O 3.07Å; I308-V332 HydrophobicContact CD1-CG1 4.1Å; I308-V332 HydrophobicContact CD1-CG2 4.1Å; I308-V332 HydrophobicContact CG1-CG1 4Å; I308-V332 HydrophobicContact CG1-CG2 4.18Å; L327-V332 HydrophobicContact CD1-CG2 4.12Å; V332-A368 HydrophobicContact CG1-CB 3.72Å; V332-R369 CarbonylContact C-O 3.57Å; V332-R369 WeakPolarHBondContact CA-O 3.23Å; V332-L370 HydrophobicContact CG2-CD2 3.95Å |
| 333 | M | 96.3 | Very high | 78.6 | Confident | 27 Ų | 27 | 29.7 Ų | 29.7 | 13% | 0.133 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 149.1 | 177.8 | -55.4 | -55.7 | -71.1 | 0 | 0 | 111.1 | L254 M273 G276 A368 R369 D371 | L254-M333 HydrophobicContact CD2-CB 4.13Å; L254-M333 HydrophobicContact CD2-CG 3.75Å; M273-M333 HydrophobicContact CB-CB 3.98Å; M273-M333 HydrophobicContact CB-CE 4.05Å; M273-M333 HydrophobicContact CG-CB 3.6Å; M273-M333 HydrophobicContact CG-CE 4.4Å; M273-M333 HydrophobicContact CG-CG 4.18Å; M273-M333 HydrophobicContact SD-CB 4.31Å; G276-M333 WeakPolarHBondContact O-CA 3.39Å; G276-M333 WeakPolarHBondContact O-CE 3.34Å; M333-A368 WeakPolarHBondContact O-CA 3.3Å; M333-R369 PolarHBondContact N-O 2.87Å; M333-R369 PolarHBondContact O-N 3.1Å; M333-D371 HydrophobicContact CG-CB 3.88Å |
| 334 | V | 93.6 | Very high | 76.8 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.6 | -179.5 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | Y275 G276 L278 V281 F304 L366 I367 | Y275-V334 HydrophobicContact CD2-CG1 4.26Å; Y275-V334 HydrophobicContact CG-CG1 4.38Å; Y275-V334 PolarHBondContact N-O 3Å; G276-V334 PolarHBondContact O-N 3.39Å; L278-V334 HydrophobicContact CB-CG2 4.15Å; L278-V334 HydrophobicContact CD1-CG2 4.21Å; V281-V334 HydrophobicContact CG2-CB 3.82Å; V281-V334 HydrophobicContact CG2-CG1 4.15Å; V281-V334 HydrophobicContact CG2-CG2 3.81Å; F304-V334 HydrophobicContact CE1-CG1 3.99Å; F304-V334 HydrophobicContact CE1-CG2 4.39Å; F304-V334 HydrophobicContact CZ-CG1 3.84Å; F304-V334 HydrophobicContact CZ-CG2 4.32Å; V334-L366 HydrophobicContact CG1-CB 4Å; V334-L366 HydrophobicContact CG1-CD1 3.98Å; V334-L366 HydrophobicContact CG1-CG 4.44Å; V334-I367 WeakPolarHBondContact CA-O 3.44Å |
| 335 | D | 87.2 | Confident | 74.3 | Confident | 23 Ų | 23 | 40.3 Ų | 40.3 | 12% | 0.123 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 170.1 | 175.8 | -155.5 | 8.1 | 0 | 0 | 0 | 110.6 | M273 D337 L366 I367 | M273-D335 HydrophobicContact CE-CB 4.48Å; M273-D335 WeakPolarHBondContact CE-OD2 3.31Å; M273-D335 HydrophobicContact SD-CB 3.73Å; D335-D337 PolarHBondContact O-N 2.88Å; D335-L366 WeakPolarHBondContact O-CA 3.48Å; D335-I367 HydrophobicContact CB-CG2 4.44Å; D335-I367 PolarHBondContact N-O 3.32Å; D335-I367 VanDerWaalsContact N-O 3.15Å; D335-I367 PolarHBondContact O-N 3.16Å |
| 336 | E | 81.8 | Confident | 71.5 | Confident | 67 Ų | 67 | 44.4 Ų | 44.4 | 31% | 0.313 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 131.1 | 166.8 | -91 | 175.6 | -157 | 0 | 0 | 110.9 | Q274 Y275 I338 I341 L366 | Q274-E336 VanDerWaalsContact NE2-CG 3.33Å; Q274-E336 PolarHBondContact NE2-OE1 3.15Å; Y275-E336 HydrophobicContact CE2-CG 4.04Å; E336-I338 PolarHBondContact O-N 3.5Å; E336-I341 HydrophobicContact CB-CD1 3.5Å; E336-I341 VanDerWaalsContact CB-CD1 3.5Å; E336-I341 VanDerWaalsContact CD-CD1 3.48Å; E336-I341 HydrophobicContact CG-CD1 3.48Å; E336-I341 VanDerWaalsContact CG-CD1 3.48Å; E336-I341 WeakPolarHBondContact OE2-CD1 3.4Å; E336-L366 HydrophobicContact CG-CD2 4.46Å |
| 337 | D | 76.5 | Confident | 68.7 | Low | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | trans | -75.7 | 81.9 | 168.8 | -166.6 | -11.6 | 0 | 0 | 0 | 108.1 | R303 D335 A339 K340 I341 S365 I367 | R303-D337 IonicContact NH2-OD2 3.94Å; R303-D337 PolarHBondContact NH2-OD2 3.38Å; D335-D337 PolarHBondContact O-N 2.88Å; D337-A339 PolarHBondContact O-N 2.77Å; D337-A339 WeakPolarHBondContact OD1-CB 3.38Å; D337-A339 PolarHBondContact OD1-N 3.35Å; D337-K340 HydrophobicContact CB-CB 4.33Å; D337-K340 HydrophobicContact CB-CD 4.37Å; D337-K340 HydrophobicContact CB-CG 4.4Å; D337-K340 WeakPolarHBondContact O-CA 3.38Å; D337-K340 PolarHBondContact O-N 3.01Å; D337-K340 WeakPolarHBondContact OD2-CD 3.37Å; D337-K340 WeakPolarHBondContact OD2-CE 3.48Å; D337-I341 PolarHBondContact O-N 3.26Å; D337-S365 WeakPolarHBondContact CB-O 3.35Å; D337-S365 PolarHBondContact N-O 2.89Å; D337-I367 HydrophobicContact CB-CB 4.04Å; D337-I367 HydrophobicContact CB-CG2 4.33Å | ||
| 338 | I | 62.1 | Low | 65.5 | Low | 38 Ų | 38 | 54.1 Ų | 54.1 | 20% | 0.195 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -28 | 179 | -67.4 | 160.6 | 0 | 0 | 0 | 111.5 | N61 T176 E336 K340 | N61-I338 PolarHBondContact ND2-O 3.12Å; T176-I338 HydrophobicContact CG2-CB 4.37Å; T176-I338 HydrophobicContact CG2-CD1 4.08Å; T176-I338 HydrophobicContact CG2-CG1 4.13Å; T176-I338 HydrophobicContact CG2-CG2 3.33Å; T176-I338 VanDerWaalsContact OG1-CG2 3.29Å; T176-I338 WeakPolarHBondContact OG1-CG2 3.38Å; E336-I338 PolarHBondContact O-N 3.5Å; I338-K340 PolarHBondContact O-N 2.91Å |
| 339 | A | 54.6 | Low | 62.2 | Low | 20 Ų | 20 | 60.5 Ų | 60.5 | 17% | 0.165 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -14.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I60 D337 | I60-A339 HydrophobicContact CD1-CB 4.27Å; I60-A339 HydrophobicContact CG1-CB 4.23Å; D337-A339 PolarHBondContact O-N 2.77Å; D337-A339 WeakPolarHBondContact OD1-CB 3.38Å; D337-A339 PolarHBondContact OD1-N 3.35Å |
| 340 | K | 52.6 | Low | 59 | Low | 50 Ų | 50 | 67.6 Ų | 67.6 | 22% | 0.217 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -10.5 | -179.6 | -66.7 | -174.3 | -176.5 | -178.2 | 0 | 114.9 | D337 I338 G342 E364 | D337-K340 HydrophobicContact CB-CB 4.33Å; D337-K340 HydrophobicContact CB-CD 4.37Å; D337-K340 HydrophobicContact CB-CG 4.4Å; D337-K340 WeakPolarHBondContact O-CA 3.38Å; D337-K340 PolarHBondContact O-N 3.01Å; D337-K340 WeakPolarHBondContact OD2-CD 3.37Å; D337-K340 WeakPolarHBondContact OD2-CE 3.48Å; I338-K340 PolarHBondContact O-N 2.91Å; K340-G342 PolarHBondContact O-N 3.49Å; K340-E364 VanDerWaalsContact CD-O 3.28Å; K340-E364 WeakPolarHBondContact CD-O 3.47Å; K340-E364 PolarHBondContact NZ-O 2.78Å; K340-E364 VanDerWaalsContact NZ-O 3.1Å |
| 341 | I | 47.5 | Very low | 55.8 | Low | 49 Ų | 49 | 67.1 Ų | 67.1 | 25% | 0.251 | 37% | 0.373 | S | S | . | . | trans | -77.7 | 92.1 | 178.9 | -61.7 | 174.9 | 0 | 0 | 0 | 108.8 | N61 E336 D337 | N61-I341 PolarHBondContact ND2-O 3.03Å; E336-I341 HydrophobicContact CB-CD1 3.5Å; E336-I341 VanDerWaalsContact CB-CD1 3.5Å; E336-I341 VanDerWaalsContact CD-CD1 3.48Å; E336-I341 HydrophobicContact CG-CD1 3.48Å; E336-I341 VanDerWaalsContact CG-CD1 3.48Å; E336-I341 WeakPolarHBondContact OE2-CD1 3.4Å; D337-I341 PolarHBondContact O-N 3.26Å | ||
| 342 | G | 40.4 | Very low | 52.7 | Low | 13 Ų | 13 | 74.4 Ų | 74.4 | 13% | 0.134 | 41% | 0.407 | C | S | . | . | trans | -75.2 | 128.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | K340 W344 | K340-G342 PolarHBondContact O-N 3.49Å; G342-W344 PolarHBondContact O-N 3.01Å | ||
| 343 | V | 36.3 | Very low | 49.4 | Very low | 54 Ų | 54 | 78.5 Ų | 78.5 | 33% | 0.327 | 45% | 0.449 | S | S | . | . | trans | -52.9 | 102.5 | -178.6 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | T174 | T174-V343 HydrophobicContact CG2-CG2 4.2Š| ||
| 344 | W | 34.9 | Very low | 46.3 | Very low | 192 Ų | 192 | 85.6 Ų | 85.6 | 73% | 0.727 | 48% | 0.482 | S | S | * | . | trans | -110.4 | 79.7 | 168.6 | -70.7 | 28.1 | 0 | 0 | 0 | 106.6 | G342 | G342-W344 PolarHBondContact O-N 3.01Š| ||
| 345 | D | 32.3 | Very low | 43 | Very low | 132 Ų | 132 | 92.9 Ų | 92.9 | 71% | 0.706 | 52% | 0.521 | S | S | * | . | trans | -163.8 | 83.3 | 160.6 | -95.2 | -26 | 0 | 0 | 0 | 106.9 | ||||
| 346 | T | 30.6 | Very low | 40.2 | Very low | 93 Ų | 93 | 99.6 Ų | 99.6 | 57% | 0.571 | 56% | 0.555 | S | S | * | * | trans | 163.8 | 61.6 | 149.9 | 42 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 347 | V | 33.7 | Very low | 37.6 | Very low | 125 Ų | 125 | 103.8 Ų | 103.8 | 76% | 0.758 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -129.1 | 110.7 | 153.8 | -174.7 | 0 | 0 | 0 | 0 | 107.2 | ||
| 348 | D | 30.8 | Very low | 35.3 | Very low | 133 Ų | 133 | 111 Ų | 111 | 71% | 0.711 | 61% | 0.608 | S | S | * | * | trans | 75.1 | 66.6 | 161.1 | -51.8 | -21.2 | 0 | 0 | 0 | 119.6 | ||||
| 349 | T | 27.5 | Very low | 33.7 | Very low | 138 Ų | 138 | 114.2 Ų | 114.2 | 85% | 0.847 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -94.7 | 132.6 | 130.7 | 39.9 | 0 | 0 | 0 | 0 | 107.8 | ||
| 350 | V | 29.7 | Very low | 32.9 | Very low | 148 Ų | 148 | 120 Ų | 120 | 90% | 0.897 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 88 | 56.3 | -178.8 | -150.1 | 0 | 0 | 0 | 0 | 117 | ||
| 351 | A | 29.9 | Very low | 32.6 | Very low | 69 Ų | 69 | 122.8 Ų | 122.8 | 57% | 0.57 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -162.9 | 114.1 | 143.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 352 | H | 30.7 | Very low | 32.9 | Very low | 178 Ų | 178 | 122.9 Ų | 122.9 | 82% | 0.824 | 69% | 0.687 | S | S | * | * | trans | 75.9 | 82 | 160.1 | -59.2 | 58.2 | 0 | 0 | 0 | 118.4 | Q354 | H352-Q354 VanDerWaalsContact C-N 3.35Å; H352-Q354 PolarHBondContact O-N 3.33Å | ||
| 353 | G | 28.2 | Very low | 34.2 | Very low | 87 Ų | 87 | 125.2 Ų | 125.2 | 90% | 0.897 | 70% | 0.697 | S | S | * | * | 36.9 | 43.5 | 122.7 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 354 | Q | 30.7 | Very low | 36.2 | Very low | 175 Ų | 175 | 123.2 Ų | 123.2 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | trans | -139.1 | 131.7 | 163 | -68.7 | -169.2 | -8.6 | 0 | 0 | 109.8 | H352 I356 | H352-Q354 VanDerWaalsContact C-N 3.35Å; H352-Q354 PolarHBondContact O-N 3.33Å; Q354-I356 PolarHBondContact O-N 3.05Å | ||
| 355 | N | 25.3 | Very low | 38.2 | Very low | 154 Ų | 154 | 115.1 Ų | 115.1 | 82% | 0.824 | 66% | 0.657 | S | S | * | * | trans | -55.8 | 101.8 | 177.5 | -78.9 | -31.3 | 0 | 0 | 0 | 111 | Q357 | N355-Q357 PolarHBondContact O-N 3.19Š| ||
| 356 | I | 28.3 | Very low | 40.9 | Very low | 163 Ų | 163 | 109 Ų | 109 | 84% | 0.836 | 62% | 0.623 | S | S | * | * | trans | -93.9 | 89.6 | 160.6 | -57.4 | 177.9 | 0 | 0 | 0 | 106.6 | Q354 | Q354-I356 PolarHBondContact O-N 3.05Š| ||
| 357 | Q | 26.7 | Very low | 43.8 | Very low | 156 Ų | 156 | 104.8 Ų | 104.8 | 73% | 0.729 | 60% | 0.598 | S | S | * | * | trans | -83.8 | 141.5 | 162.6 | -72.9 | 178.8 | -14.6 | 0 | 0 | 108.3 | N355 | N355-Q357 PolarHBondContact O-N 3.19Š| ||
| 358 | Q | 28.7 | Very low | 46.8 | Very low | 164 Ų | 164 | 98.9 Ų | 98.9 | 77% | 0.766 | 56% | 0.562 | S | S | * | * | trans | 87.6 | 88.8 | 169.2 | -61.8 | 174.9 | -7.6 | 0 | 0 | 117.9 | ||||
| 359 | S | 28.2 | Very low | 50 | Low | 106 Ų | 106 | 95 Ų | 95 | 74% | 0.741 | 54% | 0.537 | S | S | * | . | 15 | 109.5 | 124.4 | 58.3 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 360 | N | 37.1 | Very low | 53.3 | Low | 140 Ų | 140 | 88.5 Ų | 88.5 | 75% | 0.749 | 50% | 0.497 | S | S | * | . | trans | -118.4 | 84.4 | 157.7 | -82.1 | -22.3 | 0 | 0 | 0 | 108.3 | ||||
| 361 | T | 47.2 | Very low | 56.5 | Low | 110 Ų | 110 | 82 Ų | 82 | 68% | 0.675 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 127.3 | 154.6 | 39.4 | 0 | 0 | 0 | 0 | 106.6 | D363 | T361-D363 PolarHBondContact O-N 2.86Å; T361-D363 VanDerWaalsContact O-N 3.09Å |
| 362 | P | 54.7 | Low | 59.6 | Low | 50 Ų | 50 | 78.7 Ų | 78.7 | 33% | 0.325 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 122.3 | -177.8 | 15.9 | -23.3 | 0 | 0 | 0 | 108.9 | E364 S365 | P362-E364 PolarHBondContact O-N 3.4Å; P362-S365 VanDerWaalsContact O-CB 3.23Å; P362-S365 WeakPolarHBondContact O-CB 3.4Å; P362-S365 PolarHBondContact O-N 3.07Å; P362-S365 VanDerWaalsContact O-N 3.14Å; P362-S365 PolarHBondContact O-OG 2.72Å |
| 363 | D | 67 | Low | 62.6 | Low | 63 Ų | 63 | 70.3 Ų | 70.3 | 34% | 0.337 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 137.2 | 177.9 | -161.7 | 6.8 | 0 | 0 | 0 | 109.5 | S297 R299 T361 | S297-D363 PolarHBondContact OG-OD1 3.26Å; R299-D363 WeakPolarHBondContact CD-OD2 3.11Å; T361-D363 PolarHBondContact O-N 2.86Å; T361-D363 VanDerWaalsContact O-N 3.09Å |
| 364 | E | 77.4 | Confident | 65.8 | Low | 12 Ų | 12 | 67.6 Ų | 67.6 | 6% | 0.056 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 31.6 | -173.1 | -47.8 | -177.2 | 86 | 0 | 0 | 116.3 | R299 Q300 R303 K340 P362 L366 R486 | R299-E364 HydrophobicContact CG-CG 3.92Å; R299-E364 IonicContact CZ-OE2 2.87Å; R299-E364 VanDerWaalsContact CZ-OE2 3.28Å; R299-E364 IonicContact NE-OE1 2.67Å; R299-E364 IonicContact NE-OE2 3.89Å; R299-E364 PolarHBondContact NE-OE2 3.05Å; R299-E364 IonicContact NH2-OE2 3.87Å; R299-E364 PolarHBondContact NH2-OE2 3.21Å; Q300-E364 VanDerWaalsContact OE1-C 3.24Å; R303-E364 HydrophobicContact CB-CG 4.38Å; R303-E364 HydrophobicContact CG-CB 4.43Å; K340-E364 VanDerWaalsContact CD-O 3.28Å; K340-E364 WeakPolarHBondContact CD-O 3.47Å; K340-E364 PolarHBondContact NZ-O 2.78Å; K340-E364 VanDerWaalsContact NZ-O 3.1Å; P362-E364 PolarHBondContact O-N 3.4Å; E364-L366 VanDerWaalsContact C-N 3.32Å; E364-R486 WeakPolarHBondContact OE1-CD 3.44Å; E364-R486 IonicContact OE1-CZ 3Å; E364-R486 IonicContact OE1-NE 3.01Å; E364-R486 PolarHBondContact OE1-NE 2.86Å |
| 365 | S | 78.6 | Confident | 68.7 | Low | 22 Ų | 22 | 59.7 Ų | 59.7 | 15% | 0.154 | 32% | 0.32 | C | S | . | . | trans | -76.2 | -12.9 | 176 | 63.6 | 0 | 0 | 0 | 0 | 114.9 | D337 P362 | D337-S365 WeakPolarHBondContact CB-O 3.35Å; D337-S365 PolarHBondContact N-O 2.89Å; P362-S365 VanDerWaalsContact O-CB 3.23Å; P362-S365 WeakPolarHBondContact O-CB 3.4Å; P362-S365 PolarHBondContact O-N 3.07Å; P362-S365 VanDerWaalsContact O-N 3.14Å; P362-S365 PolarHBondContact O-OG 2.72Å | ||
| 366 | L | 88.9 | Confident | 71.9 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 147.8 | -176.7 | -55.2 | -179 | 0 | 0 | 0 | 111.6 | Y275 T294 Q300 F304 V334 D335 E336 E364 | Y275-L366 HydrophobicContact CD2-CD2 3.9Å; Y275-L366 HydrophobicContact CE2-CD2 3.27Å; T294-L366 HydrophobicContact CG2-CD1 4.11Å; Q300-L366 PolarHBondContact NE2-O 3.41Å; F304-L366 HydrophobicContact CE1-CB 3.69Å; F304-L366 HydrophobicContact CZ-CB 3.72Å; F304-L366 HydrophobicContact CZ-CD1 4.04Å; V334-L366 HydrophobicContact CG1-CB 4Å; V334-L366 HydrophobicContact CG1-CD1 3.98Å; V334-L366 HydrophobicContact CG1-CG 4.44Å; D335-L366 WeakPolarHBondContact O-CA 3.48Å; E336-L366 HydrophobicContact CG-CD2 4.46Å; E364-L366 VanDerWaalsContact C-N 3.32Å |
| 367 | I | 91.5 | Very high | 75 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 139.7 | 176.3 | -171 | 168.8 | 0 | 0 | 0 | 110.7 | P251 V334 D335 D337 | P251-I367 HydrophobicContact CB-CD1 4.49Å; V334-I367 WeakPolarHBondContact CA-O 3.44Å; D335-I367 HydrophobicContact CB-CG2 4.44Å; D335-I367 PolarHBondContact N-O 3.32Å; D335-I367 VanDerWaalsContact N-O 3.15Å; D335-I367 PolarHBondContact O-N 3.16Å; D337-I367 HydrophobicContact CB-CB 4.04Å; D337-I367 HydrophobicContact CB-CG2 4.33Å |
| 368 | A | 96.1 | Very high | 78.1 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 138.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N252 F304 D307 I308 V332 M333 | N252-A368 PolarHBondContact ND2-O 2.97Å; F304-A368 HydrophobicContact CB-CB 4.24Å; F304-A368 HydrophobicContact CD1-CB 3.7Å; F304-A368 HydrophobicContact CE1-CB 4.46Å; F304-A368 HydrophobicContact CG-CB 4.31Å; D307-A368 HydrophobicContact CB-CB 3.85Å; D307-A368 PolarHBondContact OD2-N 3.28Å; I308-A368 HydrophobicContact CG1-CB 4.26Å; V332-A368 HydrophobicContact CG1-CB 3.72Å; M333-A368 WeakPolarHBondContact O-CA 3.3Å |
| 369 | R | 96.6 | Very high | 81.1 | Confident | 52 Ų | 52 | 34.3 Ų | 34.3 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 134.8 | 179.3 | -61.6 | 178.8 | 176.9 | -102.4 | -5 | 111.2 | P251 N252 I253 L254 V332 M333 D371 | P251-R369 PolarHBondContact O-NH1 3.47Å; N252-R369 CarbonylContact O-C 3.52Å; N252-R369 WeakPolarHBondContact O-CA 3.26Å; I253-R369 PolarHBondContact O-NH1 3.1Å; L254-R369 HydrophobicContact CB-CB 4.02Å; V332-R369 CarbonylContact C-O 3.57Å; V332-R369 WeakPolarHBondContact CA-O 3.23Å; M333-R369 PolarHBondContact N-O 2.87Å; M333-R369 PolarHBondContact O-N 3.1Å; R369-D371 PolarHBondContact O-N 2.81Å |
| 370 | L | 97.1 | Very high | 84 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 122.8 | 174.6 | -55.6 | -177.1 | 0 | 0 | 0 | 110 | N252 L254 I308 G311 M312 L315 F325 L327 V332 M372 | N252-L370 PolarHBondContact O-N 3.12Å; L254-L370 PolarHBondContact N-O 3.25Å; I308-L370 HydrophobicContact CG2-CD2 4.26Å; G311-L370 VanDerWaalsContact C-CD1 3.49Å; M312-L370 HydrophobicContact CG-CD1 4.04Å; M312-L370 HydrophobicContact SD-CD1 3.53Å; M312-L370 VanDerWaalsContact SD-CD1 3.53Å; L315-L370 HydrophobicContact CD1-CD1 3.59Å; L315-L370 HydrophobicContact CG-CD1 4.38Å; F325-L370 HydrophobicContact CE1-CB 4.34Å; F325-L370 HydrophobicContact CE1-CD1 4.32Å; F325-L370 HydrophobicContact CE1-CD2 4.31Å; F325-L370 HydrophobicContact CZ-CB 3.94Å; F325-L370 HydrophobicContact CZ-CD2 4.31Å; L327-L370 HydrophobicContact CD1-CD2 3.9Å; V332-L370 HydrophobicContact CG2-CD2 3.95Å; L370-M372 HydrophobicContact CB-CE 3.69Å; L370-M372 WeakPolarHBondContact O-CE 3.45Å; L370-M372 PolarHBondContact O-N 2.91Å |
| 371 | D | 96.8 | Very high | 86.4 | Confident | 12 Ų | 12 | 24.8 Ų | 24.8 | 6% | 0.064 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 106.2 | -176.7 | -169.2 | 1.6 | 0 | 0 | 0 | 112.6 | L254 F325 H331 M333 R369 A373 D374 | L254-D371 HydrophobicContact CD2-CB 4.39Å; F325-D371 VanDerWaalsContact CE2-O 3.3Å; F325-D371 WeakPolarHBondContact CE2-O 3.34Å; H331-D371 PolarHBondContact O-N 3.29Å; M333-D371 HydrophobicContact CG-CB 3.88Å; R369-D371 PolarHBondContact O-N 2.81Å; D371-A373 PolarHBondContact O-N 2.99Å; D371-A373 VanDerWaalsContact OD1-CB 3.23Å; D371-A373 WeakPolarHBondContact OD1-CB 3.23Å; D371-A373 PolarHBondContact OD1-N 2.91Å; D371-D374 HydrophobicContact CB-CB 4.44Å; D371-D374 PolarHBondContact O-N 3.35Å |
| 372 | M | 95.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -68 | -15.8 | 177.2 | -61.6 | -59.8 | 99 | 0 | 0 | 112.6 | L245 I247 I253 L254 V256 L315 F325 L370 D374 Y375 | L245-M372 HydrophobicContact CB-CB 4.1Å; I247-M372 HydrophobicContact CD1-CG 4.16Å; I247-M372 HydrophobicContact CD1-SD 3.82Å; I253-M372 HydrophobicContact CG2-CE 4.18Å; I253-M372 HydrophobicContact CG2-CG 3.52Å; I253-M372 HydrophobicContact CG2-SD 4.11Å; L254-M372 WeakPolarHBondContact O-CB 3.38Å; L254-M372 WeakPolarHBondContact O-CG 3.38Å; L254-M372 PolarHBondContact O-N 2.89Å; V256-M372 HydrophobicContact CG2-CB 4.03Å; L315-M372 HydrophobicContact CD1-CE 3.82Å; L315-M372 HydrophobicContact CD1-SD 4.43Å; L315-M372 HydrophobicContact CD2-SD 4.18Å; F325-M372 HydrophobicContact CD2-CE 3.88Å; F325-M372 HydrophobicContact CE2-CE 3.86Å; F325-M372 HydrophobicContact CG-CE 4.41Å; F325-M372 HydrophobicContact CZ-CE 4.34Å; L370-M372 HydrophobicContact CB-CE 3.69Å; L370-M372 WeakPolarHBondContact O-CE 3.45Å; L370-M372 PolarHBondContact O-N 2.91Å; M372-D374 PolarHBondContact O-N 3.33Å; M372-Y375 VanDerWaalsContact O-CB 3.23Å; M372-Y375 WeakPolarHBondContact O-CB 3.31Å; M372-Y375 PolarHBondContact O-N 3.2Å |
| 373 | A | 94.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 2% | 0.017 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -72.6 | -13.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K223 V256 L268 D371 Y375 | K223-A373 HydrophobicContact CD-CB 4.43Å; K223-A373 WeakPolarHBondContact CD-O 3.49Å; K223-A373 PolarHBondContact NZ-O 2.96Å; V256-A373 HydrophobicContact CG2-CB 4.15Å; L268-A373 HydrophobicContact CB-CB 4.45Å; L268-A373 HydrophobicContact CD2-CB 4.34Å; D371-A373 PolarHBondContact O-N 2.99Å; D371-A373 VanDerWaalsContact OD1-CB 3.23Å; D371-A373 WeakPolarHBondContact OD1-CB 3.23Å; D371-A373 PolarHBondContact OD1-N 2.91Å; A373-Y375 VanDerWaalsContact C-N 3.33Å |
| 374 | D | 94.1 | Very high | 90.8 | Very high | 29 Ų | 29 | 31.5 Ų | 31.5 | 16% | 0.155 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -88.9 | 4.9 | 171.6 | -79.9 | -38.9 | 0 | 0 | 0 | 114.2 | K223 H331 D371 M372 K376 | K223-D374 IonicContact NZ-OD1 2.72Å; K223-D374 PolarHBondContact NZ-OD1 2.95Å; H331-D374 VanDerWaalsContact CA-OD2 3.31Å; H331-D374 WeakPolarHBondContact CA-OD2 3.5Å; H331-D374 HydrophobicContact CB-CB 3.82Å; H331-D374 IonicContact CD2-OD1 3.91Å; H331-D374 IonicContact CD2-OD2 2.75Å; H331-D374 PolarHBondContact CD2-OD2 3.48Å; H331-D374 VanDerWaalsContact CG-CB 3.48Å; H331-D374 IonicContact CG-OD2 3.6Å; H331-D374 IonicContact NE2-OD1 3.43Å; D371-D374 HydrophobicContact CB-CB 4.44Å; D371-D374 PolarHBondContact O-N 3.35Å; M372-D374 PolarHBondContact O-N 3.33Å; D374-K376 PolarHBondContact O-N 3.27Å |
| 375 | Y | 93.2 | Very high | 91.5 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 4% | 0.039 | 18% | 0.178 | C | C | . | . | trans | -57.9 | 132.5 | 168.1 | 175.3 | -93 | 0 | 0 | 0 | 112 | E241 L245 V322 N324 M372 A373 F377 | E241-Y375 VanDerWaalsContact OE2-CE1 3.26Å; E241-Y375 WeakPolarHBondContact OE2-CE1 3.25Å; E241-Y375 PolarHBondContact OE2-OH 3.2Å; L245-Y375 HydrophobicContact CD1-CD1 3.96Å; L245-Y375 HydrophobicContact CD1-CG 4.19Å; L245-Y375 HydrophobicContact CD2-CD1 3.9Å; L245-Y375 HydrophobicContact CD2-CD2 3.77Å; L245-Y375 HydrophobicContact CD2-CE2 4.39Å; L245-Y375 HydrophobicContact CD2-CG 3.49Å; L245-Y375 VanDerWaalsContact CD2-CG 3.49Å; L245-Y375 HydrophobicContact CG-CG 4.48Å; V322-Y375 HydrophobicContact CG1-CD2 3.55Å; V322-Y375 HydrophobicContact CG1-CE2 3.72Å; N324-Y375 HydrophobicContact CB-CD2 4.09Å; N324-Y375 HydrophobicContact CB-CE2 3.51Å; N324-Y375 PolarHBondContact ND2-OH 3.42Å; M372-Y375 VanDerWaalsContact O-CB 3.23Å; M372-Y375 WeakPolarHBondContact O-CB 3.31Å; M372-Y375 PolarHBondContact O-N 3.2Å; A373-Y375 VanDerWaalsContact C-N 3.33Å; Y375-F377 HydrophobicContact CD1-CD1 4.26Å; Y375-F377 HydrophobicContact CD1-CD2 4.18Å; Y375-F377 HydrophobicContact CD1-CE1 4.3Å; Y375-F377 HydrophobicContact CD1-CE2 4.2Å; Y375-F377 HydrophobicContact CD1-CG 4.2Å; Y375-F377 HydrophobicContact CD1-CZ 4.26Å; Y375-F377 HydrophobicContact CE1-CD1 4.08Å; Y375-F377 HydrophobicContact CE1-CE1 4.37Å; Y375-F377 HydrophobicContact CE1-CG 4.24Å; Y375-F377 PolarHBondContact O-N 2.82Å | ||
| 376 | K | 92.4 | Very high | 92.2 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 12% | 0.122 | 18% | 0.183 | C | C | . | . | trans | -87.8 | 99.7 | 179 | -173.3 | 170.6 | -179.9 | 160.7 | 0 | 110.6 | N324 D374 H380 E381 R384 E385 | N324-K376 HydrophobicContact CB-CB 4.38Å; N324-K376 VanDerWaalsContact CB-O 3.24Å; N324-K376 WeakPolarHBondContact CB-O 3.48Å; N324-K376 PolarHBondContact O-N 2.84Å; D374-K376 PolarHBondContact O-N 3.27Å; K376-H380 WeakPolarHBondContact CE-O 3.25Å; K376-E381 WeakPolarHBondContact CE-O 3.34Å; K376-E381 PolarHBondContact NZ-O 2.97Å; K376-R384 PolarHBondContact NZ-O 3.01Å; K376-E385 IonicContact NZ-OE1 3.92Å; K376-E385 PolarHBondContact NZ-OE1 2.89Å; K376-E385 IonicContact NZ-OE2 3.31Å; K376-E385 PolarHBondContact NZ-OE2 3.16Å | ||
| 377 | F | 92.9 | Very high | 92.4 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.013 | 19% | 0.19 | C | C | . | . | trans | -56.2 | 149.9 | 175.5 | -70.5 | -87.9 | 0 | 0 | 0 | 112.7 | L225 F238 E241 L245 L268 Y375 F379 H380 | L225-F377 HydrophobicContact CD1-CD2 4.14Å; L225-F377 HydrophobicContact CD1-CE2 4.49Å; F238-F377 AromaticContact CD2-CD1 3.63Å; F238-F377 HydrophobicContact CD2-CD1 3.63Å; F238-F377 HydrophobicContact CD2-CD2 4.14Å; F238-F377 AromaticContact CD2-CE1 3.33Å; F238-F377 HydrophobicContact CD2-CE1 3.33Å; F238-F377 AromaticContact CD2-CE2 3.9Å; F238-F377 HydrophobicContact CD2-CE2 3.9Å; F238-F377 HydrophobicContact CD2-CG 4.02Å; F238-F377 AromaticContact CD2-CZ 3.48Å; F238-F377 HydrophobicContact CD2-CZ 3.48Å; F238-F377 VanDerWaalsContact CD2-CZ 3.48Å; F238-F377 HydrophobicContact CE2-CD1 4.31Å; F238-F377 HydrophobicContact CE2-CD2 4.16Å; F238-F377 AromaticContact CE2-CE1 3.73Å; F238-F377 HydrophobicContact CE2-CE1 3.73Å; F238-F377 AromaticContact CE2-CE2 3.58Å; F238-F377 HydrophobicContact CE2-CE2 3.58Å; F238-F377 HydrophobicContact CE2-CG 4.5Å; F238-F377 AromaticContact CE2-CZ 3.32Å; F238-F377 HydrophobicContact CE2-CZ 3.32Å; F238-F377 HydrophobicContact CG-CE1 4.33Å; F238-F377 HydrophobicContact CZ-CZ 4.48Å; E241-F377 HydrophobicContact CB-CD1 3.9Å; E241-F377 HydrophobicContact CB-CE1 3.95Å; L245-F377 HydrophobicContact CD1-CE1 4.1Å; L245-F377 HydrophobicContact CD1-CE2 4.24Å; L245-F377 HydrophobicContact CD1-CZ 3.51Å; L268-F377 HydrophobicContact CD1-CE2 4.15Å; L268-F377 HydrophobicContact CD2-CE2 3.75Å; L268-F377 HydrophobicContact CD2-CZ 3.86Å; L268-F377 HydrophobicContact CG-CE2 4.42Å; Y375-F377 HydrophobicContact CD1-CD1 4.26Å; Y375-F377 HydrophobicContact CD1-CD2 4.18Å; Y375-F377 HydrophobicContact CD1-CE1 4.3Å; Y375-F377 HydrophobicContact CD1-CE2 4.2Å; Y375-F377 HydrophobicContact CD1-CG 4.2Å; Y375-F377 HydrophobicContact CD1-CZ 4.26Å; Y375-F377 HydrophobicContact CE1-CD1 4.08Å; Y375-F377 HydrophobicContact CE1-CE1 4.37Å; Y375-F377 HydrophobicContact CE1-CG 4.24Å; Y375-F377 PolarHBondContact O-N 2.82Å; F377-F379 HydrophobicContact CB-CD1 4.18Å; F377-F379 HydrophobicContact CB-CE1 3.72Å; F377-F379 HydrophobicContact CB-CE2 4.14Å; F377-F379 HydrophobicContact CB-CZ 3.69Å; F377-F379 HydrophobicContact CD1-CE1 4.25Å; F377-F379 HydrophobicContact CD1-CZ 4.33Å; F377-F379 HydrophobicContact CG-CE1 4.21Å; F377-F379 HydrophobicContact CG-CZ 4Å; F377-F379 PolarHBondContact O-N 2.64Å; F377-H380 HydrophobicContact CB-CB 4.09Å; F377-H380 PolarHBondContact O-N 3.27Å | ||
| 378 | S | 91.3 | Very high | 92.7 | Very high | 53 Ų | 53 | 37.5 Ų | 37.5 | 37% | 0.371 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -21.3 | -175.4 | 64.1 | 0 | 0 | 0 | 0 | 115.1 | E241 K382 | E241-S378 WeakPolarHBondContact OE1-CB 3.44Å; E241-S378 PolarHBondContact OE1-N 3.32Å; E241-S378 PolarHBondContact OE1-OG 3.09Å; E241-S378 PolarHBondContact OE2-N 3.43Å; S378-K382 WeakPolarHBondContact O-CE 3.47Å; S378-K382 PolarHBondContact O-NZ 3.45Å |
| 379 | F | 91.2 | Very high | 92.8 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 8% | 0.083 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -10.4 | 178.9 | 57.2 | -97.6 | 0 | 0 | 0 | 114.6 | L225 L227 Q234 D237 F238 L266 F377 | L225-F379 HydrophobicContact CD1-CE2 4.24Å; L225-F379 HydrophobicContact CD1-CZ 4.46Å; L227-F379 HydrophobicContact CD1-CD2 4.39Å; L227-F379 HydrophobicContact CD1-CE2 4.02Å; L227-F379 HydrophobicContact CD2-CD2 3.93Å; L227-F379 HydrophobicContact CD2-CE2 4.04Å; Q234-F379 HydrophobicContact CB-CD1 4.18Å; Q234-F379 HydrophobicContact CB-CD2 4.24Å; Q234-F379 HydrophobicContact CB-CG 4.04Å; Q234-F379 HydrophobicContact CG-CB 3.72Å; Q234-F379 HydrophobicContact CG-CD1 4.26Å; Q234-F379 HydrophobicContact CG-CD2 4.15Å; Q234-F379 HydrophobicContact CG-CG 3.77Å; Q234-F379 WeakPolarHBondContact O-CE1 3.21Å; D237-F379 HydrophobicContact CB-CD1 4.16Å; D237-F379 HydrophobicContact CB-CE1 4.4Å; F238-F379 HydrophobicContact CB-CE1 3.79Å; F238-F379 HydrophobicContact CB-CZ 3.77Å; F238-F379 HydrophobicContact CD2-CE1 4.5Å; F238-F379 AromaticContact CD2-CZ 3.9Å; F238-F379 HydrophobicContact CD2-CZ 3.9Å; F238-F379 HydrophobicContact CG-CZ 4.2Å; L266-F379 HydrophobicContact CD1-CE2 3.98Å; L266-F379 HydrophobicContact CD1-CZ 3.74Å; F377-F379 HydrophobicContact CB-CD1 4.18Å; F377-F379 HydrophobicContact CB-CE1 3.72Å; F377-F379 HydrophobicContact CB-CE2 4.14Å; F377-F379 HydrophobicContact CB-CZ 3.69Å; F377-F379 HydrophobicContact CD1-CE1 4.25Å; F377-F379 HydrophobicContact CD1-CZ 4.33Å; F377-F379 HydrophobicContact CG-CE1 4.21Å; F377-F379 HydrophobicContact CG-CZ 4Å; F377-F379 PolarHBondContact O-N 2.64Å |
| 380 | H | 90.8 | Very high | 92.9 | Very high | 12 Ų | 12 | 35.7 Ų | 35.7 | 6% | 0.056 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -95.4 | 139.7 | -170.4 | -170.9 | -130.5 | 0 | 0 | 0 | 111 | G207 K376 F377 K382 | G207-H380 PolarHBondContact O-CE1 2.8Å; G207-H380 PolarHBondContact O-NE2 3.07Å; K376-H380 WeakPolarHBondContact CE-O 3.25Å; F377-H380 HydrophobicContact CB-CB 4.09Å; F377-H380 PolarHBondContact O-N 3.27Å; H380-K382 PolarHBondContact O-N 3.3Å |
| 381 | E | 87 | Confident | 92.9 | Very high | 34 Ų | 34 | 36.3 Ų | 36.3 | 16% | 0.159 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 46.9 | 34.6 | 176.3 | -62 | -173.9 | 154.7 | 0 | 0 | 116.6 | G207 K376 A383 R384 Y386 | G207-E381 WeakPolarHBondContact CA-OE1 3.23Å; G207-E381 PolarHBondContact N-OE1 2.69Å; G207-E381 VanDerWaalsContact N-OE1 3.16Å; K376-E381 WeakPolarHBondContact CE-O 3.34Å; K376-E381 PolarHBondContact NZ-O 2.97Å; E381-A383 PolarHBondContact O-N 3.18Å; E381-R384 PolarHBondContact O-N 3.3Å; E381-R384 VanDerWaalsContact O-N 3.1Å; E381-Y386 HydrophobicContact CG-CE2 4.09Å; E381-Y386 WeakPolarHBondContact OE1-CD2 3.06Å; E381-Y386 VanDerWaalsContact OE1-CE2 3.23Å; E381-Y386 WeakPolarHBondContact OE1-CE2 3.46Å |
| 382 | K | 86 | Confident | 92.9 | Very high | 141 Ų | 141 | 35.7 Ų | 35.7 | 61% | 0.613 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 130.4 | 177.8 | -71.6 | -172.5 | 171.6 | 174.3 | 0 | 111.7 | S378 H380 R384 | S378-K382 WeakPolarHBondContact O-CE 3.47Å; S378-K382 PolarHBondContact O-NZ 3.45Å; H380-K382 PolarHBondContact O-N 3.3Å; K382-R384 PolarHBondContact O-N 2.72Å; K382-R384 VanDerWaalsContact O-N 3.14Å |
| 383 | A | 84 | Confident | 93 | Very high | 110 Ų | 110 | 36.5 Ų | 36.5 | 91% | 0.909 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 21.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | E381 | E381-A383 PolarHBondContact O-N 3.18Š|
| 384 | R | 90.5 | Very high | 93.1 | Very high | 114 Ų | 114 | 37.3 Ų | 37.3 | 43% | 0.43 | 19% | 0.193 | S | C | . | . | trans | -124.3 | 129.3 | 174.9 | -68.1 | 178.7 | -74.1 | 155.8 | -4.9 | 108.6 | K376 E381 K382 Y386 | K376-R384 PolarHBondContact NZ-O 3.01Å; E381-R384 PolarHBondContact O-N 3.3Å; E381-R384 VanDerWaalsContact O-N 3.1Å; K382-R384 PolarHBondContact O-N 2.72Å; K382-R384 VanDerWaalsContact O-N 3.14Å; R384-Y386 HydrophobicContact CB-CE2 4.05Å; R384-Y386 PolarHBondContact NH1-OH 3.44Å | ||
| 385 | E | 91.8 | Very high | 93.1 | Very high | 68 Ų | 68 | 36.5 Ų | 36.5 | 32% | 0.318 | 19% | 0.189 | S | C | . | . | trans | -126.2 | 123 | 175.6 | -61.5 | -58.1 | 159.2 | 0 | 0 | 108.8 | R326 K376 M391 | R326-E385 IonicContact NH2-OE1 3.05Å; K376-E385 IonicContact NZ-OE1 3.92Å; K376-E385 PolarHBondContact NZ-OE1 2.89Å; K376-E385 IonicContact NZ-OE2 3.31Å; K376-E385 PolarHBondContact NZ-OE2 3.16Å; E385-M391 HydrophobicContact CB-SD 3.91Å; E385-M391 HydrophobicContact CG-CE 4.04Å; E385-M391 HydrophobicContact CG-SD 3.86Å | ||
| 386 | Y | 93.1 | Very high | 93.3 | Very high | 63 Ų | 63 | 38.3 Ų | 38.3 | 25% | 0.247 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -100.7 | -15.8 | -173.6 | -66.2 | -73.6 | 0 | 0 | 0 | 113.2 | H206 E381 R384 | H206-Y386 HydrophobicContact CB-CD1 4.01Å; H206-Y386 HydrophobicContact CB-CD2 4.27Å; H206-Y386 HydrophobicContact CB-CE1 3.48Å; H206-Y386 VanDerWaalsContact CB-CE1 3.48Å; H206-Y386 HydrophobicContact CB-CE2 3.78Å; H206-Y386 HydrophobicContact CB-CG 4.37Å; H206-Y386 AromaticContact CD2-CD1 3.2Å; H206-Y386 WeakPolarHBondContact CD2-CD1 3.47Å; H206-Y386 AromaticContact CD2-CE1 3.28Å; H206-Y386 WeakPolarHBondContact CD2-CE1 3.47Å; H206-Y386 AromaticContact CD2-CG 3.97Å; H206-Y386 AromaticContact CG-CD1 3.77Å; H206-Y386 AromaticContact CG-CE1 3.36Å; H206-Y386 AromaticContact CG-CZ 3.81Å; H206-Y386 AromaticContact NE2-CD1 3.98Å; E381-Y386 HydrophobicContact CG-CE2 4.09Å; E381-Y386 WeakPolarHBondContact OE1-CD2 3.06Å; E381-Y386 VanDerWaalsContact OE1-CE2 3.23Å; E381-Y386 WeakPolarHBondContact OE1-CE2 3.46Å; R384-Y386 HydrophobicContact CB-CE2 4.05Å; R384-Y386 PolarHBondContact NH1-OH 3.44Å |
| 387 | N | 95.1 | Very high | 93.3 | Very high | 31 Ų | 31 | 42.7 Ų | 42.7 | 17% | 0.166 | 22% | 0.22 | C | C | . | . | trans | -126.3 | 54.7 | -179.3 | -57.8 | -56.2 | 0 | 0 | 0 | 112.2 | K330 A389 W390 | K330-N387 PolarHBondContact NZ-OD1 3.25Å; N387-A389 PolarHBondContact O-N 2.98Å; N387-A389 VanDerWaalsContact O-N 3.17Å; N387-W390 HydrophobicContact CB-CE3 3.89Å; N387-W390 HydrophobicContact CB-CZ3 4.07Å | ||
| 388 | P | 97 | Very high | 93.3 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.032 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -68.1 | -14.8 | -174.7 | 27.6 | -33.5 | 0 | 0 | 0 | 114 | W390 M391 L396 P432 I435 | P388-W390 PolarHBondContact O-N 3.19Å; P388-M391 WeakPolarHBondContact O-CB 3.46Å; P388-M391 PolarHBondContact O-N 3.16Å; P388-L396 HydrophobicContact CB-CD2 3.82Å; P388-P432 HydrophobicContact CG-CB 3.89Å; P388-P432 WeakPolarHBondContact CG-O 3.37Å; P388-I435 HydrophobicContact CB-CG2 4.46Å; P388-I435 HydrophobicContact CG-CB 4.22Å; P388-I435 HydrophobicContact CG-CG2 4.19Å |
| 389 | A | 98.1 | Very high | 93.2 | Very high | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.033 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -62.7 | -27.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N387 P426 F427 I435 | N387-A389 PolarHBondContact O-N 2.98Å; N387-A389 VanDerWaalsContact O-N 3.17Å; A389-P426 HydrophobicContact CB-CB 3.83Å; A389-F427 HydrophobicContact CB-CD2 3.81Å; A389-F427 HydrophobicContact CB-CE2 4.41Å; A389-I435 HydrophobicContact CB-CD1 4.44Å; A389-I435 HydrophobicContact CB-CG2 4.14Å |
| 390 | W | 98.3 | Very high | 93 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -91.8 | -9 | 174.9 | -65.5 | -97.8 | 0 | 0 | 0 | 112.8 | F279 N328 S329 N387 P388 S412 V415 E419 P426 | F279-W390 HydrophobicContact CD2-CH2 4.27Å; F279-W390 HydrophobicContact CD2-CZ2 4.31Å; F279-W390 HydrophobicContact CE2-CH2 4.2Å; N328-W390 HydrophobicContact CB-CB 3.75Å; N328-W390 HydrophobicContact CB-CD2 3.63Å; N328-W390 HydrophobicContact CB-CE3 4.08Å; N328-W390 HydrophobicContact CB-CG 3.45Å; N328-W390 VanDerWaalsContact CB-CG 3.45Å; S329-W390 VanDerWaalsContact OG-CZ2 3.24Å; S329-W390 WeakPolarHBondContact OG-CZ2 3.37Å; N387-W390 HydrophobicContact CB-CE3 3.89Å; N387-W390 HydrophobicContact CB-CZ3 4.07Å; P388-W390 PolarHBondContact O-N 3.19Å; W390-S412 WeakPolarHBondContact O-CA 3.31Å; W390-S412 WeakPolarHBondContact O-CB 3.49Å; W390-S412 PolarHBondContact O-OG 2.89Å; W390-V415 HydrophobicContact CB-CG1 4.42Å; W390-V415 HydrophobicContact CD2-CG1 4.49Å; W390-V415 HydrophobicContact CG-CB 4.4Å; W390-V415 HydrophobicContact CG-CG1 3.87Å; W390-E419 PolarHBondContact NE1-OE2 2.84Å; W390-P426 HydrophobicContact CZ2-CG 3.86Å |
| 391 | M | 97.4 | Very high | 92.9 | Very high | 13 Ų | 13 | 57.2 Ų | 57.2 | 6% | 0.064 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -82.2 | 144.1 | -174.5 | -67.2 | -176.8 | 66.9 | 0 | 0 | 112 | E385 P388 L396 W411 | E385-M391 HydrophobicContact CB-SD 3.91Å; E385-M391 HydrophobicContact CG-CE 4.04Å; E385-M391 HydrophobicContact CG-SD 3.86Å; P388-M391 WeakPolarHBondContact O-CB 3.46Å; P388-M391 PolarHBondContact O-N 3.16Å; M391-L396 HydrophobicContact CB-CD1 4.26Å; M391-L396 HydrophobicContact CB-CD2 3.88Å; M391-L396 HydrophobicContact CB-CG 3.85Å; M391-L396 HydrophobicContact CE-CD2 3.79Å; M391-L396 HydrophobicContact CE-CG 4.32Å; M391-L396 HydrophobicContact CG-CD2 4.36Å; M391-L396 HydrophobicContact SD-CD2 3.64Å; M391-W411 PolarHBondContact O-NE1 2.84Å; M391-W411 VanDerWaalsContact O-NE1 3.17Å |
| 392 | S | 97.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -68.6 | 150.5 | 172.5 | 70.4 | 0 | 0 | 0 | 0 | 111.5 | E394 S395 L396 S408 | S392-E394 VanDerWaalsContact C-N 3.27Å; S392-E394 WeakPolarHBondContact CB-OE2 3.18Å; S392-E394 PolarHBondContact O-N 3.49Å; S392-E394 PolarHBondContact OG-OE1 3.01Å; S392-E394 PolarHBondContact OG-OE2 3.1Å; S392-S395 PolarHBondContact N-OG 3.5Å; S392-S395 PolarHBondContact O-N 3.31Å; S392-S395 VanDerWaalsContact O-N 3.08Å; S392-S395 PolarHBondContact O-OG 3.3Å; S392-S395 WeakPolarHBondContact OG-CB 3.27Å; S392-S395 PolarHBondContact OG-N 3Å; S392-S395 PolarHBondContact OG-OG 3Å; S392-L396 PolarHBondContact O-N 2.88Å; S392-S408 WeakPolarHBondContact OG-CB 3.38Å; S392-S408 PolarHBondContact OG-OG 3.14Å | ||
| 393 | P | 97.6 | Very high | 93.6 | Very high | 16 Ų | 16 | 55.4 Ų | 55.4 | 10% | 0.104 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.8 | -41.3 | 178.5 | -25.3 | 33.5 | 0 | 0 | 0 | 113.1 | L396 Q397 W411 I439 | P393-L396 PolarHBondContact O-N 3.21Å; P393-Q397 WeakPolarHBondContact O-CG 3.12Å; P393-Q397 PolarHBondContact O-N 3.2Å; P393-W411 HydrophobicContact CG-CH2 3.73Å; P393-W411 HydrophobicContact CG-CZ2 4.03Å; P393-W411 HydrophobicContact CG-CZ3 4.09Å; P393-I439 HydrophobicContact CB-CG2 4.22Å; P393-I439 HydrophobicContact CG-CG2 3.97Å |
| 394 | E | 96 | Very high | 94.1 | Very high | 20 Ų | 20 | 54.3 Ų | 54.3 | 9% | 0.093 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.7 | -32.8 | 179.1 | 68.9 | -82.3 | -165.9 | 0 | 0 | 113.1 | S392 L396 Q397 K398 I403 P468 R471 | S392-E394 VanDerWaalsContact C-N 3.27Å; S392-E394 WeakPolarHBondContact CB-OE2 3.18Å; S392-E394 PolarHBondContact O-N 3.49Å; S392-E394 PolarHBondContact OG-OE1 3.01Å; S392-E394 PolarHBondContact OG-OE2 3.1Å; E394-L396 VanDerWaalsContact C-N 3.27Å; E394-L396 PolarHBondContact O-N 2.83Å; E394-Q397 PolarHBondContact O-N 2.79Å; E394-K398 WeakPolarHBondContact O-CB 3.45Å; E394-K398 PolarHBondContact O-N 3.22Å; E394-I403 HydrophobicContact CB-CG2 4.18Å; E394-I403 HydrophobicContact CG-CB 4.33Å; E394-I403 HydrophobicContact CG-CG2 4.02Å; E394-P468 HydrophobicContact CG-CG 4.35Å; E394-P468 WeakPolarHBondContact OE1-CG 3.14Å; E394-R471 IonicContact OE1-CZ 2.81Å; E394-R471 VanDerWaalsContact OE1-CZ 3.27Å; E394-R471 IonicContact OE1-NH1 2.64Å; E394-R471 PolarHBondContact OE1-NH1 2.92Å; E394-R471 IonicContact OE1-NH2 3.88Å; E394-R471 PolarHBondContact OE1-NH2 3.27Å; E394-R471 VanDerWaalsContact OE1-NH2 3.1Å; E394-R471 IonicContact OE2-CZ 3.5Å; E394-R471 IonicContact OE2-NH1 3.99Å; E394-R471 IonicContact OE2-NH2 3Å; E394-R471 PolarHBondContact OE2-NH2 3.17Å |
| 395 | S | 94.8 | Very high | 94.2 | Very high | 11 Ų | 11 | 51 Ų | 51 | 8% | 0.077 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.5 | -22.8 | 177.2 | 71.6 | 0 | 0 | 0 | 0 | 113.6 | S392 S408 | S392-S395 PolarHBondContact N-OG 3.5Å; S392-S395 PolarHBondContact O-N 3.31Å; S392-S395 VanDerWaalsContact O-N 3.08Å; S392-S395 PolarHBondContact O-OG 3.3Å; S392-S395 WeakPolarHBondContact OG-CB 3.27Å; S392-S395 PolarHBondContact OG-N 3Å; S392-S395 PolarHBondContact OG-OG 3Å; S395-S408 WeakPolarHBondContact CB-OG 3.35Å |
| 396 | L | 95.4 | Very high | 94.4 | Very high | 48 Ų | 48 | 51.8 Ų | 51.8 | 25% | 0.251 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -80.2 | -24 | 173.4 | -69 | 169.3 | 0 | 0 | 0 | 112.7 | P388 M391 S392 P393 E394 I439 T440 | P388-L396 HydrophobicContact CB-CD2 3.82Å; M391-L396 HydrophobicContact CB-CD1 4.26Å; M391-L396 HydrophobicContact CB-CD2 3.88Å; M391-L396 HydrophobicContact CB-CG 3.85Å; M391-L396 HydrophobicContact CE-CD2 3.79Å; M391-L396 HydrophobicContact CE-CG 4.32Å; M391-L396 HydrophobicContact CG-CD2 4.36Å; M391-L396 HydrophobicContact SD-CD2 3.64Å; S392-L396 PolarHBondContact O-N 2.88Å; P393-L396 PolarHBondContact O-N 3.21Å; E394-L396 VanDerWaalsContact C-N 3.27Å; E394-L396 PolarHBondContact O-N 2.83Å; L396-I439 HydrophobicContact CD1-CB 4.1Å; L396-I439 HydrophobicContact CD1-CD1 4.21Å; L396-I439 HydrophobicContact CD1-CG2 3.82Å; L396-T440 HydrophobicContact CB-CG2 3.53Å; L396-T440 HydrophobicContact CD1-CG2 3.98Å; L396-T440 HydrophobicContact CG-CG2 4.42Å |
| 397 | Q | 93.7 | Very high | 94.6 | Very high | 120 Ų | 120 | 49.1 Ų | 49.1 | 56% | 0.561 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -101.6 | -33.7 | -175.5 | -67.8 | 179.8 | 3.2 | 0 | 0 | 114 | P393 E394 T440 | P393-Q397 WeakPolarHBondContact O-CG 3.12Å; P393-Q397 PolarHBondContact O-N 3.2Å; E394-Q397 PolarHBondContact O-N 2.79Å; Q397-T440 HydrophobicContact CG-CG2 3.64Å; Q397-T440 PolarHBondContact NE2-O 2.87Å |
| 398 | K | 93.2 | Very high | 94.6 | Very high | 112 Ų | 112 | 47.8 Ų | 47.8 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -116.4 | 162.1 | -169.1 | -62.1 | 179 | -177.4 | 176.8 | 0 | 111.7 | E394 E402 I403 | E394-K398 WeakPolarHBondContact O-CB 3.45Å; E394-K398 PolarHBondContact O-N 3.22Å; K398-E402 HydrophobicContact CB-CB 4.29Å; K398-I403 HydrophobicContact CB-CG2 3.6Å; K398-I403 HydrophobicContact CD-CG2 4Å; K398-I403 HydrophobicContact CG-CG2 4.4Å |
| 399 | K | 89.1 | Confident | 94.6 | Very high | 140 Ų | 140 | 48.3 Ų | 48.3 | 61% | 0.609 | 25% | 0.25 | S | S | * | . | trans | -72 | 153.7 | 174.4 | -65 | 177.1 | -174.4 | 165.1 | 0 | 110.5 | S401 E402 | K399-S401 PolarHBondContact O-N 3.08Å; K399-S401 VanDerWaalsContact O-N 3.1Å; K399-E402 HydrophobicContact CB-CG 4.29Å; K399-E402 PolarHBondContact N-OE2 3.03Å; K399-E402 WeakPolarHBondContact O-CB 3.22Å; K399-E402 PolarHBondContact O-N 3.21Å | ||
| 400 | A | 87.1 | Confident | 94.6 | Very high | 35 Ų | 35 | 48.1 Ų | 48.1 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -54.3 | -31.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E402 L405 | A400-E402 PolarHBondContact O-N 2.76Å; A400-L405 HydrophobicContact CB-CD2 4.15Å |
| 401 | S | 88.8 | Confident | 94.6 | Very high | 105 Ų | 105 | 48.2 Ų | 48.2 | 73% | 0.734 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -72.3 | -11.2 | 176.8 | 56.3 | 0 | 0 | 0 | 0 | 114.8 | K399 | K399-S401 PolarHBondContact O-N 3.08Å; K399-S401 VanDerWaalsContact O-N 3.1Å |
| 402 | E | 93.6 | Very high | 94.7 | Very high | 112 Ų | 112 | 47.9 Ų | 47.9 | 52% | 0.523 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -111.8 | 0.7 | -172.9 | -64 | 166.5 | -169.3 | 0 | 0 | 112.5 | K398 K399 A400 | K398-E402 HydrophobicContact CB-CB 4.29Å; K399-E402 HydrophobicContact CB-CG 4.29Å; K399-E402 PolarHBondContact N-OE2 3.03Å; K399-E402 WeakPolarHBondContact O-CB 3.22Å; K399-E402 PolarHBondContact O-N 3.21Å; A400-E402 PolarHBondContact O-N 2.76Å |
| 403 | I | 94 | Very high | 94.8 | Very high | 25 Ų | 25 | 48 Ų | 48 | 13% | 0.128 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -121.8 | 156.1 | -177.5 | 65.2 | 177.3 | 0 | 0 | 0 | 111 | E394 K398 L405 | E394-I403 HydrophobicContact CB-CG2 4.18Å; E394-I403 HydrophobicContact CG-CB 4.33Å; E394-I403 HydrophobicContact CG-CG2 4.02Å; K398-I403 HydrophobicContact CB-CG2 3.6Å; K398-I403 HydrophobicContact CD-CG2 4Å; K398-I403 HydrophobicContact CG-CG2 4.4Å; I403-L405 HydrophobicContact CD1-CD2 3.88Å; I403-L405 HydrophobicContact CG1-CD2 3.96Å; I403-L405 HydrophobicContact CG1-CG 4.35Å; I403-L405 PolarHBondContact O-N 2.85Å |
| 404 | N | 94.4 | Very high | 94.8 | Very high | 87 Ų | 87 | 47.2 Ų | 47.2 | 47% | 0.465 | 24% | 0.243 | S | C | . | . | trans | -76 | 102.2 | 163.2 | -177.6 | -20.4 | 0 | 0 | 0 | 108.1 | E406 A407 S408 | N404-E406 VanDerWaalsContact C-N 3.34Å; N404-E406 PolarHBondContact O-N 3.25Å; N404-E406 PolarHBondContact OD1-N 2.95Å; N404-E406 VanDerWaalsContact OD1-N 3.13Å; N404-A407 HydrophobicContact CB-CB 3.98Å; N404-A407 PolarHBondContact O-N 3.19Å; N404-A407 PolarHBondContact OD1-N 2.95Å; N404-A407 VanDerWaalsContact OD1-N 3.1Å; N404-S408 PolarHBondContact O-N 2.78Å | ||
| 405 | L | 93.1 | Very high | 94.9 | Very high | 45 Ų | 45 | 46.3 Ų | 46.3 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.6 | -41.4 | -179.1 | -72.6 | 171.2 | 0 | 0 | 0 | 112 | P323 A400 I403 A407 S408 D409 | P323-L405 HydrophobicContact CB-CD1 4.21Å; A400-L405 HydrophobicContact CB-CD2 4.15Å; I403-L405 HydrophobicContact CD1-CD2 3.88Å; I403-L405 HydrophobicContact CG1-CD2 3.96Å; I403-L405 HydrophobicContact CG1-CG 4.35Å; I403-L405 PolarHBondContact O-N 2.85Å; L405-A407 VanDerWaalsContact C-N 3.33Å; L405-A407 PolarHBondContact O-N 3.02Å; L405-S408 CarbonylContact O-C 3.56Å; L405-S408 WeakPolarHBondContact O-CA 3.47Å; L405-S408 WeakPolarHBondContact O-CB 3.31Å; L405-S408 PolarHBondContact O-N 3.03Å; L405-D409 PolarHBondContact O-N 2.97Å |
| 406 | E | 94.5 | Very high | 95.1 | Very high | 85 Ų | 85 | 45.9 Ų | 45.9 | 40% | 0.397 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.2 | -44 | -179.8 | -58.9 | 173.8 | -159.2 | 0 | 0 | 111.5 | H316 N404 S408 D409 M410 | H316-E406 HydrophobicContact CB-CG 4.35Å; H316-E406 VanDerWaalsContact CE1-CA 3.44Å; H316-E406 WeakPolarHBondContact CE1-CA 3.44Å; N404-E406 VanDerWaalsContact C-N 3.34Å; N404-E406 PolarHBondContact O-N 3.25Å; N404-E406 PolarHBondContact OD1-N 2.95Å; N404-E406 VanDerWaalsContact OD1-N 3.13Å; E406-S408 VanDerWaalsContact C-N 3.32Å; E406-S408 PolarHBondContact O-N 3.41Å; E406-D409 PolarHBondContact O-N 3.06Å; E406-M410 PolarHBondContact O-N 2.95Å |
| 407 | A | 97 | Very high | 95.2 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 5% | 0.05 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.2 | -34.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N404 L405 M410 W411 P468 R471 | N404-A407 HydrophobicContact CB-CB 3.98Å; N404-A407 PolarHBondContact O-N 3.19Å; N404-A407 PolarHBondContact OD1-N 2.95Å; N404-A407 VanDerWaalsContact OD1-N 3.1Å; L405-A407 VanDerWaalsContact C-N 3.33Å; L405-A407 PolarHBondContact O-N 3.02Å; A407-M410 PolarHBondContact O-N 3.44Å; A407-W411 PolarHBondContact O-N 3.37Å; A407-P468 HydrophobicContact CB-CB 3.77Å; A407-P468 WeakPolarHBondContact CB-O 3.35Å; A407-R471 WeakPolarHBondContact O-CD 3.46Å; A407-R471 PolarHBondContact O-NH1 3.38Å |
| 408 | S | 96.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.6 | -39.7 | 174 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | S392 S395 N404 L405 E406 M410 W411 S412 | S392-S408 WeakPolarHBondContact OG-CB 3.38Å; S392-S408 PolarHBondContact OG-OG 3.14Å; S395-S408 WeakPolarHBondContact CB-OG 3.35Å; N404-S408 PolarHBondContact O-N 2.78Å; L405-S408 CarbonylContact O-C 3.56Å; L405-S408 WeakPolarHBondContact O-CA 3.47Å; L405-S408 WeakPolarHBondContact O-CB 3.31Å; L405-S408 PolarHBondContact O-N 3.03Å; E406-S408 VanDerWaalsContact C-N 3.32Å; E406-S408 PolarHBondContact O-N 3.41Å; S408-M410 VanDerWaalsContact C-N 3.32Å; S408-W411 VanDerWaalsContact O-CB 3.31Å; S408-W411 WeakPolarHBondContact O-CB 3.47Å; S408-W411 PolarHBondContact O-N 2.93Å; S408-S412 PolarHBondContact O-N 3.1Å; S408-S412 PolarHBondContact O-OG 3.11Å |
| 409 | D | 96.9 | Very high | 95.6 | Very high | 17 Ų | 17 | 32.8 Ų | 32.8 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.6 | -33.3 | 176.4 | -70.6 | -24.4 | 0 | 0 | 0 | 111.7 | M312 H316 L405 E406 W411 S412 F413 F474 | M312-D409 HydrophobicContact CE-CB 3.77Å; H316-D409 IonicContact CD2-OD2 3.7Å; H316-D409 IonicContact CE1-OD2 2.69Å; H316-D409 PolarHBondContact CE1-OD2 2.64Å; H316-D409 IonicContact NE2-OD2 3.58Å; H316-D409 PolarHBondContact NE2-OD2 3.44Å; L405-D409 PolarHBondContact O-N 2.97Å; E406-D409 PolarHBondContact O-N 3.06Å; D409-W411 VanDerWaalsContact C-N 3.26Å; D409-W411 PolarHBondContact O-N 3.28Å; D409-S412 WeakPolarHBondContact O-CB 3.47Å; D409-S412 PolarHBondContact O-N 3.19Å; D409-S412 VanDerWaalsContact O-N 3.15Å; D409-F413 PolarHBondContact O-N 3.3Å; D409-F474 HydrophobicContact CB-CE2 4.16Å |
| 410 | M | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.8 | -34.2 | 172.5 | -173.4 | 55.5 | 65.6 | 0 | 0 | 112.3 | E406 A407 S408 F413 G414 C463 R471 P472 R473 F474 L478 | E406-M410 PolarHBondContact O-N 2.95Å; A407-M410 PolarHBondContact O-N 3.44Å; S408-M410 VanDerWaalsContact C-N 3.32Å; M410-F413 PolarHBondContact O-N 2.78Å; M410-F413 HydrophobicContact SD-CB 4.45Å; M410-F413 HydrophobicContact SD-CD1 3.73Å; M410-F413 HydrophobicContact SD-CE1 4.45Å; M410-F413 HydrophobicContact SD-CG 4.43Å; M410-G414 PolarHBondContact O-N 3.35Å; M410-C463 HydrophobicContact CG-CB 4.19Å; M410-C463 HydrophobicContact SD-CB 4.26Å; M410-C463 VanDerWaalsContact SD-SG 3.61Å; M410-R471 HydrophobicContact CB-CB 4.34Å; M410-R471 HydrophobicContact CG-CB 4.06Å; M410-P472 HydrophobicContact CE-CG 4.24Å; M410-P472 WeakPolarHBondContact CE-O 3.18Å; M410-P472 HydrophobicContact CG-CG 4Å; M410-P472 WeakPolarHBondContact CG-O 2.89Å; M410-P472 HydrophobicContact SD-CG 3.92Å; M410-R473 VanDerWaalsContact CE-C 3.46Å; M410-F474 HydrophobicContact CB-CE2 4.36Å; M410-F474 HydrophobicContact CE-CD1 3.68Å; M410-F474 HydrophobicContact CE-CD2 3.68Å; M410-F474 HydrophobicContact CE-CE1 3.65Å; M410-F474 HydrophobicContact CE-CE2 3.65Å; M410-F474 HydrophobicContact CE-CG 3.71Å; M410-F474 HydrophobicContact CE-CZ 3.64Å; M410-F474 HydrophobicContact SD-CE1 4.22Å; M410-F474 HydrophobicContact SD-CE2 4.48Å; M410-F474 HydrophobicContact SD-CZ 4.08Å; M410-L478 HydrophobicContact CE-CD2 3.53Å; M410-L478 HydrophobicContact SD-CD2 4.17Å |
| 411 | W | 98.5 | Very high | 96.2 | Very high | 13 Ų | 13 | 26 Ų | 26 | 5% | 0.049 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.3 | -50.3 | 171.1 | 177.1 | -74.4 | 0 | 0 | 0 | 111 | M391 P393 A407 S408 D409 F413 G414 V415 C463 T464 | M391-W411 PolarHBondContact O-NE1 2.84Å; M391-W411 VanDerWaalsContact O-NE1 3.17Å; P393-W411 HydrophobicContact CG-CH2 3.73Å; P393-W411 HydrophobicContact CG-CZ2 4.03Å; P393-W411 HydrophobicContact CG-CZ3 4.09Å; A407-W411 PolarHBondContact O-N 3.37Å; S408-W411 VanDerWaalsContact O-CB 3.31Å; S408-W411 WeakPolarHBondContact O-CB 3.47Å; S408-W411 PolarHBondContact O-N 2.93Å; D409-W411 VanDerWaalsContact C-N 3.26Å; D409-W411 PolarHBondContact O-N 3.28Å; W411-F413 PolarHBondContact O-N 2.71Å; W411-G414 WeakPolarHBondContact O-CA 3.48Å; W411-G414 PolarHBondContact O-N 3.13Å; W411-V415 PolarHBondContact O-N 2.89Å; W411-C463 WeakPolarHBondContact CA-O 3.3Å; W411-T464 HydrophobicContact CD2-CG2 4.37Å; W411-T464 WeakPolarHBondContact CZ3-O 3.46Å |
| 412 | S | 98.4 | Very high | 96.4 | Very high | 6 Ų | 6 | 22.3 Ų | 22.3 | 4% | 0.042 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57 | -40.8 | 178.2 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | L327 W390 S408 D409 V415 I416 | L327-S412 VanDerWaalsContact O-CB 3.27Å; L327-S412 WeakPolarHBondContact O-CB 3.39Å; W390-S412 WeakPolarHBondContact O-CA 3.31Å; W390-S412 WeakPolarHBondContact O-CB 3.49Å; W390-S412 PolarHBondContact O-OG 2.89Å; S408-S412 PolarHBondContact O-N 3.1Å; S408-S412 PolarHBondContact O-OG 3.11Å; D409-S412 WeakPolarHBondContact O-CB 3.47Å; D409-S412 PolarHBondContact O-N 3.19Å; D409-S412 VanDerWaalsContact O-N 3.15Å; S412-V415 WeakPolarHBondContact O-CB 3.41Å; S412-V415 PolarHBondContact O-N 3.18Å; S412-I416 WeakPolarHBondContact O-CG1 3.21Å; S412-I416 PolarHBondContact O-N 2.9Å |
| 413 | F | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 173.5 | 174.9 | -98.5 | 0 | 0 | 0 | 112.8 | T305 I308 A309 L327 D409 M410 W411 V415 I416 L417 F474 L478 L482 | T305-F413 HydrophobicContact CG2-CE1 4.32Å; T305-F413 HydrophobicContact CG2-CE2 3.83Å; T305-F413 HydrophobicContact CG2-CZ 3.39Å; T305-F413 WeakPolarHBondContact O-CE2 3.34Å; I308-F413 HydrophobicContact CB-CD2 4.45Å; I308-F413 HydrophobicContact CB-CE2 4.31Å; I308-F413 HydrophobicContact CG2-CD2 3.76Å; I308-F413 HydrophobicContact CG2-CE2 4.1Å; A309-F413 HydrophobicContact CB-CE2 3.97Å; A309-F413 HydrophobicContact CB-CZ 4.05Å; L327-F413 HydrophobicContact CD2-CB 3.9Å; D409-F413 PolarHBondContact O-N 3.3Å; M410-F413 PolarHBondContact O-N 2.78Å; M410-F413 HydrophobicContact SD-CB 4.45Å; M410-F413 HydrophobicContact SD-CD1 3.73Å; M410-F413 HydrophobicContact SD-CE1 4.45Å; M410-F413 HydrophobicContact SD-CG 4.43Å; W411-F413 PolarHBondContact O-N 2.71Å; F413-V415 VanDerWaalsContact C-N 3.31Å; F413-V415 PolarHBondContact O-N 3.03Å; F413-I416 PolarHBondContact O-N 2.57Å; F413-L417 WeakPolarHBondContact O-CB 3.37Å; F413-L417 PolarHBondContact O-N 3.43Å; F413-F474 HydrophobicContact CB-CE1 3.9Å; F413-F474 HydrophobicContact CB-CZ 3.58Å; F413-F474 HydrophobicContact CD1-CE1 4.06Å; F413-F474 HydrophobicContact CD1-CZ 4.45Å; F413-F474 AromaticContact CD2-CE1 3.75Å; F413-F474 HydrophobicContact CD2-CE1 3.75Å; F413-F474 HydrophobicContact CD2-CZ 4.27Å; F413-F474 HydrophobicContact CE2-CE1 4.23Å; F413-F474 AromaticContact CG-CE1 3.63Å; F413-F474 HydrophobicContact CG-CE1 3.63Å; F413-F474 AromaticContact CG-CZ 3.87Å; F413-F474 HydrophobicContact CG-CZ 3.87Å; F413-L478 HydrophobicContact CE1-CD2 4.4Å; F413-L482 HydrophobicContact CZ-CD1 3.83Å |
| 414 | G | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.3 | -42.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | M410 W411 L417 W418 F460 | M410-G414 PolarHBondContact O-N 3.35Å; W411-G414 WeakPolarHBondContact O-CA 3.48Å; W411-G414 PolarHBondContact O-N 3.13Å; G414-L417 WeakPolarHBondContact O-CB 3.27Å; G414-L417 PolarHBondContact O-N 2.9Å; G414-W418 PolarHBondContact O-N 2.83Å; G414-F460 WeakPolarHBondContact O-CD2 3.37Å; G414-F460 WeakPolarHBondContact O-CE2 3.49Å |
| 415 | V | 98.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 175.2 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | W390 W411 S412 F413 L417 W418 E419 P426 L446 | W390-V415 HydrophobicContact CB-CG1 4.42Å; W390-V415 HydrophobicContact CD2-CG1 4.49Å; W390-V415 HydrophobicContact CG-CB 4.4Å; W390-V415 HydrophobicContact CG-CG1 3.87Å; W411-V415 PolarHBondContact O-N 2.89Å; S412-V415 WeakPolarHBondContact O-CB 3.41Å; S412-V415 PolarHBondContact O-N 3.18Å; F413-V415 VanDerWaalsContact C-N 3.31Å; F413-V415 PolarHBondContact O-N 3.03Å; V415-L417 PolarHBondContact O-N 3.35Å; V415-W418 WeakPolarHBondContact O-CB 3.2Å; V415-W418 PolarHBondContact O-N 2.58Å; V415-E419 WeakPolarHBondContact O-CB 3.4Å; V415-E419 PolarHBondContact O-N 3.29Å; V415-P426 HydrophobicContact CG1-CB 4.08Å; V415-P426 HydrophobicContact CG1-CG 3.7Å; V415-L446 HydrophobicContact CB-CD1 4.3Å; V415-L446 HydrophobicContact CG1-CD1 3.84Å; V415-L446 HydrophobicContact CG2-CD1 4Å |
| 416 | I | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.5 | -39.7 | 175.6 | -64.3 | 170.3 | 0 | 0 | 0 | 111.3 | L278 I308 L327 S412 F413 W418 E419 L420 | L278-I416 HydrophobicContact CD2-CG2 3.91Å; I308-I416 HydrophobicContact CD1-CG2 3.8Å; L327-I416 HydrophobicContact CD1-CD1 3.73Å; L327-I416 HydrophobicContact CD2-CD1 4.21Å; L327-I416 HydrophobicContact CG-CD1 3.67Å; S412-I416 WeakPolarHBondContact O-CG1 3.21Å; S412-I416 PolarHBondContact O-N 2.9Å; F413-I416 PolarHBondContact O-N 2.57Å; I416-W418 VanDerWaalsContact C-N 3.3Å; I416-W418 PolarHBondContact O-N 3.4Å; I416-E419 WeakPolarHBondContact O-CB 3.18Å; I416-E419 PolarHBondContact O-N 2.89Å; I416-L420 HydrophobicContact CG2-CD1 3.78Å; I416-L420 HydrophobicContact CG2-CG 4.16Å; I416-L420 WeakPolarHBondContact O-CB 3.42Å; I416-L420 WeakPolarHBondContact O-CG 3.31Å; I416-L420 PolarHBondContact O-N 3.01Å |
| 417 | L | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.7 | -43.2 | 174.6 | 174.7 | 61.5 | 0 | 0 | 0 | 111 | T305 F413 G414 V415 T421 I456 L459 F460 | T305-L417 HydrophobicContact CG2-CD1 3.99Å; F413-L417 WeakPolarHBondContact O-CB 3.37Å; F413-L417 PolarHBondContact O-N 3.43Å; G414-L417 WeakPolarHBondContact O-CB 3.27Å; G414-L417 PolarHBondContact O-N 2.9Å; V415-L417 PolarHBondContact O-N 3.35Å; L417-T421 HydrophobicContact CD1-CG2 4.08Å; L417-T421 WeakPolarHBondContact O-CB 3.21Å; L417-T421 WeakPolarHBondContact O-CG2 3.34Å; L417-T421 PolarHBondContact O-N 3.46Å; L417-T421 PolarHBondContact O-OG1 2.96Å; L417-I456 HydrophobicContact CD1-CG2 4.09Å; L417-I456 HydrophobicContact CD2-CG2 4.29Å; L417-I456 HydrophobicContact CG-CG2 4.1Å; L417-L459 HydrophobicContact CD2-CB 4.16Å; L417-L459 HydrophobicContact CD2-CD2 3.72Å; L417-L459 HydrophobicContact CD2-CG 3.76Å; L417-F460 HydrophobicContact CD2-CB 4.49Å |
| 418 | W | 97.5 | Very high | 96.7 | Very high | 5 Ų | 5 | 22.3 Ų | 22.3 | 2% | 0.019 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | 174.4 | 179.9 | 95.6 | 0 | 0 | 0 | 111.8 | G414 V415 I416 T421 T422 M424 P426 L446 P447 F460 | G414-W418 PolarHBondContact O-N 2.83Å; V415-W418 WeakPolarHBondContact O-CB 3.2Å; V415-W418 PolarHBondContact O-N 2.58Å; I416-W418 VanDerWaalsContact C-N 3.3Å; I416-W418 PolarHBondContact O-N 3.4Å; W418-T421 WeakPolarHBondContact CA-OG1 3.41Å; W418-T421 PolarHBondContact O-N 2.87Å; W418-T421 PolarHBondContact O-OG1 3.25Å; W418-T421 VanDerWaalsContact O-OG1 3.07Å; W418-T422 HydrophobicContact CD2-CG2 4.08Å; W418-T422 HydrophobicContact CG-CG2 4.24Å; W418-T422 HydrophobicContact CZ2-CG2 4.31Å; W418-T422 WeakPolarHBondContact O-CB 3.47Å; W418-T422 VanDerWaalsContact O-CG2 3.31Å; W418-T422 WeakPolarHBondContact O-CG2 3.18Å; W418-T422 PolarHBondContact O-N 3.07Å; W418-T422 PolarHBondContact O-OG1 2.85Å; W418-M424 HydrophobicContact CH2-CB 3.65Å; W418-M424 HydrophobicContact CH2-CE 3.61Å; W418-M424 HydrophobicContact CZ2-CE 3.3Å; W418-M424 HydrophobicContact CZ3-CB 3.97Å; W418-M424 WeakPolarHBondContact CZ3-O 3.41Å; W418-P426 HydrophobicContact CE3-CG 4.27Å; W418-P426 HydrophobicContact CZ3-CB 4.43Å; W418-P426 HydrophobicContact CZ3-CG 4.05Å; W418-L446 HydrophobicContact CB-CD1 4.46Å; W418-L446 HydrophobicContact CD2-CB 4.29Å; W418-L446 HydrophobicContact CD2-CD1 3.91Å; W418-L446 HydrophobicContact CD2-CD2 4.47Å; W418-L446 HydrophobicContact CD2-CG 4.45Å; W418-L446 HydrophobicContact CE3-CD1 3.95Å; W418-L446 HydrophobicContact CE3-CD2 4.26Å; W418-L446 HydrophobicContact CG-CD1 4.15Å; W418-L446 HydrophobicContact CH2-CD2 3.95Å; W418-L446 HydrophobicContact CZ2-CB 4.29Å; W418-L446 HydrophobicContact CZ2-CD2 4.13Å; W418-L446 HydrophobicContact CZ3-CD2 4.02Å; W418-P447 HydrophobicContact CZ2-CG 4.31Å; W418-P447 PolarHBondContact NE1-O 2.68Å; W418-F460 HydrophobicContact CB-CD2 3.82Å; W418-F460 HydrophobicContact CB-CE2 3.59Å; W418-F460 HydrophobicContact CB-CZ 4.29Å; W418-F460 AromaticContact CD1-CZ 3.97Å; W418-F460 HydrophobicContact CG-CE2 4.09Å; W418-F460 HydrophobicContact CG-CZ 4.33Å |
| 419 | E | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.3 | -45.4 | 179.3 | -171.8 | 179.4 | -175.5 | 0 | 0 | 111.8 | L282 H283 S329 W390 V415 I416 T421 R423 P426 | L282-E419 HydrophobicContact CD1-CG 3.95Å; H283-E419 IonicContact CD2-OE1 3.76Å; H283-E419 IonicContact CE1-OE1 2.91Å; H283-E419 IonicContact NE2-OE1 2.61Å; H283-E419 PolarHBondContact NE2-OE1 2.78Å; S329-E419 WeakPolarHBondContact CB-OE1 3.18Å; S329-E419 WeakPolarHBondContact CB-OE2 3.42Å; S329-E419 PolarHBondContact OG-OE1 2.9Å; S329-E419 PolarHBondContact OG-OE2 3.41Å; W390-E419 PolarHBondContact NE1-OE2 2.84Å; V415-E419 WeakPolarHBondContact O-CB 3.4Å; V415-E419 PolarHBondContact O-N 3.29Å; I416-E419 WeakPolarHBondContact O-CB 3.18Å; I416-E419 PolarHBondContact O-N 2.89Å; E419-T421 PolarHBondContact O-N 3.24Å; E419-R423 VanDerWaalsContact O-CA 3.31Å; E419-R423 WeakPolarHBondContact O-CA 3.42Å; E419-R423 PolarHBondContact O-N 3.08Å; E419-P426 HydrophobicContact CB-CG 4.49Å; E419-P426 HydrophobicContact CG-CG 4.47Å |
| 420 | L | 95.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.3 | -31.4 | 176.2 | -81 | 168.9 | 0 | 0 | 0 | 113.1 | L278 L282 A301 F304 T305 I416 R423 | L278-L420 HydrophobicContact CD1-CD2 3.91Å; L278-L420 HydrophobicContact CD2-CD1 4.49Å; L278-L420 HydrophobicContact CD2-CD2 4.15Å; L278-L420 HydrophobicContact CD2-CG 4.38Å; L278-L420 HydrophobicContact CG-CD2 4.48Å; L282-L420 HydrophobicContact CD1-CD2 4.12Å; L282-L420 HydrophobicContact CD1-CG 4.5Å; L282-L420 HydrophobicContact CD2-CD2 4.2Å; A301-L420 HydrophobicContact CB-CB 4.34Å; A301-L420 HydrophobicContact CB-CD2 4.18Å; F304-L420 HydrophobicContact CB-CD1 4.25Å; F304-L420 HydrophobicContact CB-CD2 4.22Å; F304-L420 HydrophobicContact CD2-CD2 3.96Å; T305-L420 VanDerWaalsContact OG1-CD1 3.31Å; T305-L420 WeakPolarHBondContact OG1-CD1 3.38Å; I416-L420 HydrophobicContact CG2-CD1 3.78Å; I416-L420 HydrophobicContact CG2-CG 4.16Å; I416-L420 WeakPolarHBondContact O-CB 3.42Å; I416-L420 WeakPolarHBondContact O-CG 3.31Å; I416-L420 PolarHBondContact O-N 3.01Å; L420-R423 WeakPolarHBondContact O-CD 3.47Å; L420-R423 PolarHBondContact O-NE 2.87Å; L420-R423 PolarHBondContact O-NH1 3.45Å; L420-R423 VanDerWaalsContact O-NH1 3.16Å |
| 421 | T | 93.4 | Very high | 96.4 | Very high | 33 Ų | 33 | 33.1 Ų | 33.1 | 20% | 0.202 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -95.8 | -32.2 | -172.6 | 52.4 | 0 | 0 | 0 | 0 | 112.8 | L417 W418 E419 M452 I456 | L417-T421 HydrophobicContact CD1-CG2 4.08Å; L417-T421 WeakPolarHBondContact O-CB 3.21Å; L417-T421 WeakPolarHBondContact O-CG2 3.34Å; L417-T421 PolarHBondContact O-N 3.46Å; L417-T421 PolarHBondContact O-OG1 2.96Å; W418-T421 WeakPolarHBondContact CA-OG1 3.41Å; W418-T421 PolarHBondContact O-N 2.87Å; W418-T421 PolarHBondContact O-OG1 3.25Å; W418-T421 VanDerWaalsContact O-OG1 3.07Å; E419-T421 PolarHBondContact O-N 3.24Å; T421-M452 WeakPolarHBondContact OG1-CE 3.31Å; T421-I456 HydrophobicContact CG2-CD1 3.85Å; T421-I456 HydrophobicContact CG2-CG2 3.77Å |
| 422 | T | 93.7 | Very high | 96.3 | Very high | 27 Ų | 27 | 35 Ų | 35 | 17% | 0.166 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -93.1 | -20.8 | 178.1 | 64.2 | 0 | 0 | 0 | 0 | 113.7 | W418 M424 P449 M452 | W418-T422 HydrophobicContact CD2-CG2 4.08Å; W418-T422 HydrophobicContact CG-CG2 4.24Å; W418-T422 HydrophobicContact CZ2-CG2 4.31Å; W418-T422 WeakPolarHBondContact O-CB 3.47Å; W418-T422 VanDerWaalsContact O-CG2 3.31Å; W418-T422 WeakPolarHBondContact O-CG2 3.18Å; W418-T422 PolarHBondContact O-N 3.07Å; W418-T422 PolarHBondContact O-OG1 2.85Å; T422-M424 HydrophobicContact CG2-CE 3.87Å; T422-M424 PolarHBondContact O-N 2.99Å; T422-M424 PolarHBondContact OG1-N 2.9Å; T422-P449 HydrophobicContact CG2-CG 3.76Å; T422-M452 HydrophobicContact CG2-SD 4.47Å |
| 423 | R | 92.9 | Very high | 96.1 | Very high | 83 Ų | 83 | 41.1 Ų | 41.1 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | trans | 57.5 | 25.6 | -171.5 | -47 | -57.2 | -173.6 | 175.7 | 2.5 | 113.4 | I296 E419 L420 | I296-R423 PolarHBondContact O-NH2 2.77Å; E419-R423 VanDerWaalsContact O-CA 3.31Å; E419-R423 WeakPolarHBondContact O-CA 3.42Å; E419-R423 PolarHBondContact O-N 3.08Å; L420-R423 WeakPolarHBondContact O-CD 3.47Å; L420-R423 PolarHBondContact O-NE 2.87Å; L420-R423 PolarHBondContact O-NH1 3.45Å; L420-R423 VanDerWaalsContact O-NH1 3.16Å | ||
| 424 | M | 94.2 | Very high | 96.1 | Very high | 79 Ų | 79 | 45 Ų | 45 | 39% | 0.389 | 25% | 0.25 | S | S | . | . | trans | -106.8 | 148.7 | 178.3 | -62.8 | -171.3 | -70.2 | 0 | 0 | 110.7 | W418 T422 P449 | W418-M424 HydrophobicContact CH2-CB 3.65Å; W418-M424 HydrophobicContact CH2-CE 3.61Å; W418-M424 HydrophobicContact CZ2-CE 3.3Å; W418-M424 HydrophobicContact CZ3-CB 3.97Å; W418-M424 WeakPolarHBondContact CZ3-O 3.41Å; T422-M424 HydrophobicContact CG2-CE 3.87Å; T422-M424 PolarHBondContact O-N 2.99Å; T422-M424 PolarHBondContact OG1-N 2.9Å; M424-P449 HydrophobicContact CE-CG 4.04Å | ||
| 425 | I | 96.1 | Very high | 96.1 | Very high | 53 Ų | 53 | 45.5 Ų | 45.5 | 27% | 0.272 | 25% | 0.253 | S | S | . | . | trans | -75.5 | 127.1 | 171.8 | -61.6 | 170.9 | 0 | 0 | 0 | 109 | F279 H283 F427 D428 | F279-I425 HydrophobicContact CE2-CG1 4.29Å; F279-I425 HydrophobicContact CE2-CG2 4.27Å; F279-I425 HydrophobicContact CZ-CD1 4.11Å; F279-I425 HydrophobicContact CZ-CG1 4.33Å; H283-I425 HydrophobicContact CB-CD1 4.16Å; H283-I425 HydrophobicContact CB-CG1 4.14Å; I425-F427 PolarHBondContact O-N 3.14Å; I425-F427 VanDerWaalsContact O-N 3.16Å; I425-D428 HydrophobicContact CB-CB 3.98Å; I425-D428 HydrophobicContact CG2-CB 4.28Å; I425-D428 PolarHBondContact O-N 3.34Å | ||
| 426 | P | 97.5 | Very high | 96 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 118 | 176.8 | -29.3 | 37.9 | 0 | 0 | 0 | 112.8 | A389 W390 V415 W418 E419 D428 L446 | A389-P426 HydrophobicContact CB-CB 3.83Å; W390-P426 HydrophobicContact CZ2-CG 3.86Å; V415-P426 HydrophobicContact CG1-CB 4.08Å; V415-P426 HydrophobicContact CG1-CG 3.7Å; W418-P426 HydrophobicContact CE3-CG 4.27Å; W418-P426 HydrophobicContact CZ3-CB 4.43Å; W418-P426 HydrophobicContact CZ3-CG 4.05Å; E419-P426 HydrophobicContact CB-CG 4.49Å; E419-P426 HydrophobicContact CG-CG 4.47Å; P426-D428 VanDerWaalsContact C-N 3.32Å; P426-D428 PolarHBondContact O-N 3.25Å; P426-L446 HydrophobicContact CB-CD2 3.98Å |
| 427 | F | 97.1 | Very high | 95.9 | Very high | 22 Ų | 22 | 50.6 Ų | 50.6 | 10% | 0.096 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 41.2 | -178 | -48.1 | -62.4 | 0 | 0 | 0 | 114.5 | A389 I425 M430 I435 I439 L444 L446 | A389-F427 HydrophobicContact CB-CD2 3.81Å; A389-F427 HydrophobicContact CB-CE2 4.41Å; I425-F427 PolarHBondContact O-N 3.14Å; I425-F427 VanDerWaalsContact O-N 3.16Å; F427-M430 HydrophobicContact CB-CE 4.29Å; F427-M430 HydrophobicContact CB-SD 4.36Å; F427-M430 HydrophobicContact CD1-CE 4.46Å; F427-M430 WeakPolarHBondContact O-CB 3.39Å; F427-M430 PolarHBondContact O-N 3.47Å; F427-M430 VanDerWaalsContact O-N 3.17Å; F427-I435 HydrophobicContact CB-CD1 3.9Å; F427-I435 HydrophobicContact CB-CG1 3.96Å; F427-I435 HydrophobicContact CD2-CG2 3.68Å; F427-I435 HydrophobicContact CE2-CG2 4.24Å; F427-I435 HydrophobicContact CG-CG2 4.41Å; F427-I439 HydrophobicContact CE2-CD1 3.9Å; F427-I439 HydrophobicContact CE2-CG1 4.26Å; F427-I439 HydrophobicContact CZ-CG1 4.5Å; F427-L444 HydrophobicContact CD1-CD1 4.39Å; F427-L444 HydrophobicContact CD1-CD2 3.81Å; F427-L444 HydrophobicContact CD1-CG 4.08Å; F427-L444 HydrophobicContact CE1-CD1 4.04Å; F427-L444 HydrophobicContact CE1-CD2 3.79Å; F427-L444 HydrophobicContact CE1-CG 3.58Å; F427-L444 HydrophobicContact CG-CD2 4.29Å; F427-L444 HydrophobicContact CZ-CD2 4.25Å; F427-L444 HydrophobicContact CZ-CG 4.05Å; F427-L446 HydrophobicContact CD1-CD2 4.01Å; F427-L446 HydrophobicContact CD2-CD2 4.27Å; F427-L446 HydrophobicContact CE1-CD2 3.68Å; F427-L446 HydrophobicContact CE1-CG 4.13Å; F427-L446 HydrophobicContact CE2-CD2 3.97Å; F427-L446 HydrophobicContact CE2-CG 4.24Å; F427-L446 HydrophobicContact CG-CD2 4.29Å; F427-L446 HydrophobicContact CZ-CD2 3.67Å; F427-L446 HydrophobicContact CZ-CG 3.77Å |
| 428 | D | 94.6 | Very high | 95.9 | Very high | 119 Ų | 119 | 53.8 Ų | 53.8 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.4 | 143.1 | -178.7 | -165.9 | 26.5 | 0 | 0 | 0 | 113.8 | I425 P426 M430 | I425-D428 HydrophobicContact CB-CB 3.98Å; I425-D428 HydrophobicContact CG2-CB 4.28Å; I425-D428 PolarHBondContact O-N 3.34Å; P426-D428 VanDerWaalsContact C-N 3.32Å; P426-D428 PolarHBondContact O-N 3.25Å; D428-M430 PolarHBondContact O-N 3Å |
| 429 | G | 93.8 | Very high | 95.9 | Very high | 79 Ų | 79 | 53.7 Ų | 53.7 | 81% | 0.814 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | -7.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 430 | M | 96.3 | Very high | 95.9 | Very high | 74 Ų | 74 | 55.4 Ų | 55.4 | 37% | 0.365 | 31% | 0.305 | S | S | . | . | trans | -88.7 | 140.8 | 175.7 | -58.8 | -167.5 | -145 | 0 | 0 | 112.1 | F427 D428 I435 L444 | F427-M430 HydrophobicContact CB-CE 4.29Å; F427-M430 HydrophobicContact CB-SD 4.36Å; F427-M430 HydrophobicContact CD1-CE 4.46Å; F427-M430 WeakPolarHBondContact O-CB 3.39Å; F427-M430 PolarHBondContact O-N 3.47Å; F427-M430 VanDerWaalsContact O-N 3.17Å; D428-M430 PolarHBondContact O-N 3Å; M430-I435 HydrophobicContact CB-CD1 3.94Å; M430-I435 HydrophobicContact CB-CG1 3.54Å; M430-I435 WeakPolarHBondContact O-CD1 3.41Å; M430-L444 HydrophobicContact SD-CD2 4.28Å | ||
| 431 | N | 95.6 | Very high | 95.9 | Very high | 93 Ų | 93 | 59.8 Ų | 59.8 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | trans | -66.9 | 140.4 | 173.3 | -177.8 | -60.7 | 0 | 0 | 0 | 110.8 | M433 I434 I435 | N431-M433 VanDerWaalsContact C-N 3.26Å; N431-M433 PolarHBondContact O-N 2.95Å; N431-M433 VanDerWaalsContact O-N 3.13Å; N431-M433 WeakPolarHBondContact OD1-CB 3.38Å; N431-M433 PolarHBondContact OD1-N 3.15Å; N431-I434 HydrophobicContact CB-CD1 4.08Å; N431-I434 HydrophobicContact CB-CG1 4.19Å; N431-I434 WeakPolarHBondContact O-CA 3.48Å; N431-I434 WeakPolarHBondContact O-CB 3.24Å; N431-I434 PolarHBondContact O-N 2.77Å; N431-I435 PolarHBondContact O-N 2.72Å | ||
| 432 | P | 95.8 | Very high | 96.1 | Very high | 52 Ų | 52 | 64.1 Ų | 64.1 | 34% | 0.338 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -46.6 | -42.5 | 176.5 | -32.1 | 36.7 | 0 | 0 | 0 | 115.1 | P388 I434 I435 G436 | P388-P432 HydrophobicContact CG-CB 3.89Å; P388-P432 WeakPolarHBondContact CG-O 3.37Å; P432-I434 PolarHBondContact O-N 2.71Å; P432-I435 PolarHBondContact O-N 3.26Å; P432-G436 PolarHBondContact O-N 3.27Å |
| 433 | M | 96 | Very high | 96.2 | Very high | 135 Ų | 135 | 67.4 Ų | 67.4 | 67% | 0.665 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62 | -43.4 | 177.6 | -179.2 | 62.3 | 71.5 | 0 | 0 | 111.9 | N431 G436 M437 | N431-M433 VanDerWaalsContact C-N 3.26Å; N431-M433 PolarHBondContact O-N 2.95Å; N431-M433 VanDerWaalsContact O-N 3.13Å; N431-M433 WeakPolarHBondContact OD1-CB 3.38Å; N431-M433 PolarHBondContact OD1-N 3.15Å; M433-G436 PolarHBondContact O-N 2.9Å; M433-M437 WeakPolarHBondContact O-CB 2.75Å; M433-M437 VanDerWaalsContact O-CG 3.32Å; M433-M437 WeakPolarHBondContact O-CG 3.07Å; M433-M437 PolarHBondContact O-N 3.27Å; M433-M437 HydrophobicContact SD-CG 4.36Å |
| 434 | I | 97.6 | Very high | 96.4 | Very high | 84 Ų | 84 | 65.4 Ų | 65.4 | 43% | 0.431 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 178.6 | -62.4 | 175.4 | 0 | 0 | 0 | 109.7 | N431 P432 M437 K438 | N431-I434 HydrophobicContact CB-CD1 4.08Å; N431-I434 HydrophobicContact CB-CG1 4.19Å; N431-I434 WeakPolarHBondContact O-CA 3.48Å; N431-I434 WeakPolarHBondContact O-CB 3.24Å; N431-I434 PolarHBondContact O-N 2.77Å; P432-I434 PolarHBondContact O-N 2.71Å; I434-M437 PolarHBondContact O-N 3.3Å; I434-K438 HydrophobicContact CG2-CD 3.95Å; I434-K438 HydrophobicContact CG2-CG 4.12Å; I434-K438 WeakPolarHBondContact O-CB 3.37Å; I434-K438 VanDerWaalsContact O-CG 3.31Å; I434-K438 WeakPolarHBondContact O-CG 3.34Å; I434-K438 PolarHBondContact O-N 2.91Å |
| 435 | I | 97.8 | Very high | 96.5 | Very high | 10 Ų | 10 | 65 Ų | 65 | 5% | 0.051 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.2 | -53.7 | 177 | -65.3 | 170.1 | 0 | 0 | 0 | 110.1 | P388 A389 F427 M430 N431 P432 M437 K438 I439 | P388-I435 HydrophobicContact CB-CG2 4.46Å; P388-I435 HydrophobicContact CG-CB 4.22Å; P388-I435 HydrophobicContact CG-CG2 4.19Å; A389-I435 HydrophobicContact CB-CD1 4.44Å; A389-I435 HydrophobicContact CB-CG2 4.14Å; F427-I435 HydrophobicContact CB-CD1 3.9Å; F427-I435 HydrophobicContact CB-CG1 3.96Å; F427-I435 HydrophobicContact CD2-CG2 3.68Å; F427-I435 HydrophobicContact CE2-CG2 4.24Å; F427-I435 HydrophobicContact CG-CG2 4.41Å; M430-I435 HydrophobicContact CB-CD1 3.94Å; M430-I435 HydrophobicContact CB-CG1 3.54Å; M430-I435 WeakPolarHBondContact O-CD1 3.41Å; N431-I435 PolarHBondContact O-N 2.72Å; P432-I435 PolarHBondContact O-N 3.26Å; I435-M437 VanDerWaalsContact C-N 3.35Å; I435-M437 PolarHBondContact O-N 3.15Å; I435-K438 PolarHBondContact O-N 3.35Å; I435-I439 HydrophobicContact CG2-CD1 3.58Å; I435-I439 HydrophobicContact CG2-CG1 4.29Å; I435-I439 WeakPolarHBondContact O-CB 3.41Å; I435-I439 VanDerWaalsContact O-CG1 3.28Å; I435-I439 WeakPolarHBondContact O-CG1 2.99Å; I435-I439 PolarHBondContact O-N 3.26Å |
| 436 | G | 97.1 | Very high | 96.6 | Very high | 12 Ų | 12 | 63.3 Ų | 63.3 | 12% | 0.124 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.8 | -43.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P432 M433 T440 | P432-G436 PolarHBondContact O-N 3.27Å; M433-G436 PolarHBondContact O-N 2.9Å; G436-T440 WeakPolarHBondContact O-CG2 3.5Å; G436-T440 PolarHBondContact O-N 3.44Å; G436-T440 PolarHBondContact O-OG1 3.26Å |
| 437 | M | 97.3 | Very high | 96.4 | Very high | 98 Ų | 98 | 67.1 Ų | 67.1 | 48% | 0.483 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.6 | -51.9 | 174.9 | -73.4 | -62.1 | -60 | 0 | 0 | 111.3 | M433 I434 I435 I439 T440 T441 | M433-M437 WeakPolarHBondContact O-CB 2.75Å; M433-M437 VanDerWaalsContact O-CG 3.32Å; M433-M437 WeakPolarHBondContact O-CG 3.07Å; M433-M437 PolarHBondContact O-N 3.27Å; M433-M437 HydrophobicContact SD-CG 4.36Å; I434-M437 PolarHBondContact O-N 3.3Å; I435-M437 VanDerWaalsContact C-N 3.35Å; I435-M437 PolarHBondContact O-N 3.15Å; M437-I439 PolarHBondContact O-N 3.39Å; M437-T440 PolarHBondContact O-N 3.39Å; M437-T440 VanDerWaalsContact O-N 3.09Å; M437-T440 PolarHBondContact O-OG1 3.03Å; M437-T441 HydrophobicContact CE-CG2 3.9Å; M437-T441 PolarHBondContact O-N 3.27Å; M437-T441 PolarHBondContact O-OG1 3.17Å |
| 438 | K | 98 | Very high | 96.3 | Very high | 67 Ų | 67 | 69.6 Ų | 69.6 | 29% | 0.291 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.8 | -36.9 | -176.9 | -72.1 | -165 | 167.6 | -165.6 | 0 | 113.8 | I434 I435 T440 E442 N443 L444 | I434-K438 HydrophobicContact CG2-CD 3.95Å; I434-K438 HydrophobicContact CG2-CG 4.12Å; I434-K438 WeakPolarHBondContact O-CB 3.37Å; I434-K438 VanDerWaalsContact O-CG 3.31Å; I434-K438 WeakPolarHBondContact O-CG 3.34Å; I434-K438 PolarHBondContact O-N 2.91Å; I435-K438 PolarHBondContact O-N 3.35Å; K438-T440 PolarHBondContact O-N 3.24Å; K438-E442 HydrophobicContact CB-CB 4.42Å; K438-E442 WeakPolarHBondContact CD-OE2 3.31Å; K438-E442 VanDerWaalsContact CE-OE2 3.3Å; K438-E442 WeakPolarHBondContact CE-OE2 3.29Å; K438-E442 WeakPolarHBondContact CG-OE2 3.45Å; K438-E442 IonicContact NZ-OE2 2.94Å; K438-E442 CarbonylContact O-C 3.4Å; K438-E442 WeakPolarHBondContact O-CA 3.45Å; K438-E442 WeakPolarHBondContact O-CB 3.23Å; K438-E442 PolarHBondContact O-N 2.72Å; K438-N443 PolarHBondContact O-N 2.78Å; K438-N443 VanDerWaalsContact O-N 3.14Å; K438-L444 HydrophobicContact CB-CB 3.78Å; K438-L444 HydrophobicContact CB-CD2 3.64Å; K438-L444 HydrophobicContact CB-CG 4.32Å; K438-L444 HydrophobicContact CD-CD2 4.21Å; K438-L444 WeakPolarHBondContact O-CB 3.4Å; K438-L444 PolarHBondContact O-N 3.33Å |
| 439 | I | 97.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.6 | -41.5 | 174.3 | -71.8 | 170.5 | 0 | 0 | 0 | 110.4 | P393 L396 F427 I435 M437 L444 R445 | P393-I439 HydrophobicContact CB-CG2 4.22Å; P393-I439 HydrophobicContact CG-CG2 3.97Å; L396-I439 HydrophobicContact CD1-CB 4.1Å; L396-I439 HydrophobicContact CD1-CD1 4.21Å; L396-I439 HydrophobicContact CD1-CG2 3.82Å; F427-I439 HydrophobicContact CE2-CD1 3.9Å; F427-I439 HydrophobicContact CE2-CG1 4.26Å; F427-I439 HydrophobicContact CZ-CG1 4.5Å; I435-I439 HydrophobicContact CG2-CD1 3.58Å; I435-I439 HydrophobicContact CG2-CG1 4.29Å; I435-I439 WeakPolarHBondContact O-CB 3.41Å; I435-I439 VanDerWaalsContact O-CG1 3.28Å; I435-I439 WeakPolarHBondContact O-CG1 2.99Å; I435-I439 PolarHBondContact O-N 3.26Å; M437-I439 PolarHBondContact O-N 3.39Å; I439-L444 HydrophobicContact CG1-CB 4.48Å; I439-R445 PolarHBondContact O-NH1 3.04Å; I439-R445 VanDerWaalsContact O-NH1 3.15Å |
| 440 | T | 96 | Very high | 96 | Very high | 35 Ų | 35 | 68.3 Ų | 68.3 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -88.7 | -32.4 | -171.9 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | L396 Q397 G436 M437 K438 | L396-T440 HydrophobicContact CB-CG2 3.53Å; L396-T440 HydrophobicContact CD1-CG2 3.98Å; L396-T440 HydrophobicContact CG-CG2 4.42Å; Q397-T440 HydrophobicContact CG-CG2 3.64Å; Q397-T440 PolarHBondContact NE2-O 2.87Å; G436-T440 WeakPolarHBondContact O-CG2 3.5Å; G436-T440 PolarHBondContact O-N 3.44Å; G436-T440 PolarHBondContact O-OG1 3.26Å; M437-T440 PolarHBondContact O-N 3.39Å; M437-T440 VanDerWaalsContact O-N 3.09Å; M437-T440 PolarHBondContact O-OG1 3.03Å; K438-T440 PolarHBondContact O-N 3.24Å |
| 441 | T | 96.2 | Very high | 95.6 | Very high | 92 Ų | 92 | 72.4 Ų | 72.4 | 56% | 0.564 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -109 | -28.6 | -174.4 | 65.5 | 0 | 0 | 0 | 0 | 114.2 | M437 | M437-T441 HydrophobicContact CE-CG2 3.9Å; M437-T441 PolarHBondContact O-N 3.27Å; M437-T441 PolarHBondContact O-OG1 3.17Å |
| 442 | E | 96.7 | Very high | 95.3 | Very high | 124 Ų | 124 | 69.3 Ų | 69.3 | 58% | 0.579 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -112 | 3.2 | -175.8 | -65.5 | 176.4 | -155.5 | 0 | 0 | 112.8 | K438 L444 | K438-E442 HydrophobicContact CB-CB 4.42Å; K438-E442 WeakPolarHBondContact CD-OE2 3.31Å; K438-E442 VanDerWaalsContact CE-OE2 3.3Å; K438-E442 WeakPolarHBondContact CE-OE2 3.29Å; K438-E442 WeakPolarHBondContact CG-OE2 3.45Å; K438-E442 IonicContact NZ-OE2 2.94Å; K438-E442 CarbonylContact O-C 3.4Å; K438-E442 WeakPolarHBondContact O-CA 3.45Å; K438-E442 WeakPolarHBondContact O-CB 3.23Å; K438-E442 PolarHBondContact O-N 2.72Å; E442-L444 PolarHBondContact O-N 3.03Å |
| 443 | N | 95.2 | Very high | 95.1 | Very high | 97 Ų | 97 | 69.3 Ų | 69.3 | 52% | 0.519 | 37% | 0.372 | S | S | . | . | trans | 55.6 | 37.2 | -175.9 | -155.9 | 45.7 | 0 | 0 | 0 | 113.4 | K438 R445 | K438-N443 PolarHBondContact O-N 2.78Å; K438-N443 VanDerWaalsContact O-N 3.14Å; N443-R445 PolarHBondContact O-N 3.32Å; N443-R445 PolarHBondContact OD1-NH1 2.96Å; N443-R445 PolarHBondContact OD1-NH2 3.41Å | ||
| 444 | L | 97.3 | Very high | 95 | Very high | 40 Ų | 40 | 67.3 Ų | 67.3 | 21% | 0.209 | 37% | 0.372 | C | S | . | . | trans | -61.3 | 130 | 175.9 | 179.2 | 67.6 | 0 | 0 | 0 | 110.5 | F427 M430 K438 I439 E442 | F427-L444 HydrophobicContact CD1-CD1 4.39Å; F427-L444 HydrophobicContact CD1-CD2 3.81Å; F427-L444 HydrophobicContact CD1-CG 4.08Å; F427-L444 HydrophobicContact CE1-CD1 4.04Å; F427-L444 HydrophobicContact CE1-CD2 3.79Å; F427-L444 HydrophobicContact CE1-CG 3.58Å; F427-L444 HydrophobicContact CG-CD2 4.29Å; F427-L444 HydrophobicContact CZ-CD2 4.25Å; F427-L444 HydrophobicContact CZ-CG 4.05Å; M430-L444 HydrophobicContact SD-CD2 4.28Å; K438-L444 HydrophobicContact CB-CB 3.78Å; K438-L444 HydrophobicContact CB-CD2 3.64Å; K438-L444 HydrophobicContact CB-CG 4.32Å; K438-L444 HydrophobicContact CD-CD2 4.21Å; K438-L444 WeakPolarHBondContact O-CB 3.4Å; K438-L444 PolarHBondContact O-N 3.33Å; I439-L444 HydrophobicContact CG1-CB 4.48Å; E442-L444 PolarHBondContact O-N 3.03Å | ||
| 445 | R | 97.4 | Very high | 94.8 | Very high | 70 Ų | 70 | 68 Ų | 68 | 26% | 0.264 | 37% | 0.369 | S | S | . | . | trans | -134.7 | 157.1 | 178.9 | -61.6 | -63.3 | 177.8 | -95 | 7.1 | 110.3 | I439 N443 D466 | I439-R445 PolarHBondContact O-NH1 3.04Å; I439-R445 VanDerWaalsContact O-NH1 3.15Å; N443-R445 PolarHBondContact O-N 3.32Å; N443-R445 PolarHBondContact OD1-NH1 2.96Å; N443-R445 PolarHBondContact OD1-NH2 3.41Å; R445-D466 IonicContact CZ-OD1 3.56Å; R445-D466 IonicContact NE-OD1 3.4Å; R445-D466 PolarHBondContact NE-OD1 3.05Å; R445-D466 IonicContact NH2-OD1 2.82Å; R445-D466 PolarHBondContact NH2-OD1 3.39Å | ||
| 446 | L | 97.2 | Very high | 94.6 | Very high | 18 Ų | 18 | 67.7 Ų | 67.7 | 9% | 0.094 | 37% | 0.368 | C | S | . | . | trans | -69.2 | 138.2 | 177.6 | -68.3 | 166.6 | 0 | 0 | 0 | 110.5 | V415 W418 P426 F427 F460 | V415-L446 HydrophobicContact CB-CD1 4.3Å; V415-L446 HydrophobicContact CG1-CD1 3.84Å; V415-L446 HydrophobicContact CG2-CD1 4Å; W418-L446 HydrophobicContact CB-CD1 4.46Å; W418-L446 HydrophobicContact CD2-CB 4.29Å; W418-L446 HydrophobicContact CD2-CD1 3.91Å; W418-L446 HydrophobicContact CD2-CD2 4.47Å; W418-L446 HydrophobicContact CD2-CG 4.45Å; W418-L446 HydrophobicContact CE3-CD1 3.95Å; W418-L446 HydrophobicContact CE3-CD2 4.26Å; W418-L446 HydrophobicContact CG-CD1 4.15Å; W418-L446 HydrophobicContact CH2-CD2 3.95Å; W418-L446 HydrophobicContact CZ2-CB 4.29Å; W418-L446 HydrophobicContact CZ2-CD2 4.13Å; W418-L446 HydrophobicContact CZ3-CD2 4.02Å; P426-L446 HydrophobicContact CB-CD2 3.98Å; F427-L446 HydrophobicContact CD1-CD2 4.01Å; F427-L446 HydrophobicContact CD2-CD2 4.27Å; F427-L446 HydrophobicContact CE1-CD2 3.68Å; F427-L446 HydrophobicContact CE1-CG 4.13Å; F427-L446 HydrophobicContact CE2-CD2 3.97Å; F427-L446 HydrophobicContact CE2-CG 4.24Å; F427-L446 HydrophobicContact CG-CD2 4.29Å; F427-L446 HydrophobicContact CZ-CD2 3.67Å; F427-L446 HydrophobicContact CZ-CG 3.77Å; L446-F460 HydrophobicContact CB-CZ 4.18Å; L446-F460 HydrophobicContact CD1-CZ 4.46Å | ||
| 447 | P | 95.2 | Very high | 94.6 | Very high | 85 Ų | 85 | 68.5 Ų | 68.5 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | trans | -73.9 | 146 | 178 | 30.9 | -34.3 | 0 | 0 | 0 | 111 | W418 P449 | W418-P447 HydrophobicContact CZ2-CG 4.31Å; W418-P447 PolarHBondContact NE1-O 2.68Å; P447-P449 WeakPolarHBondContact O-CD 3.46Å | ||
| 448 | I | 94.2 | Very high | 94.6 | Very high | 74 Ų | 74 | 72.8 Ų | 72.8 | 38% | 0.379 | 38% | 0.381 | S | S | . | . | trans | -97.8 | 114.8 | 174 | -63 | 162.2 | 0 | 0 | 0 | 108.5 | M452 V457 F460 D461 | I448-M452 HydrophobicContact CG2-SD 4.22Å; I448-V457 HydrophobicContact CD1-CG1 4.19Å; I448-V457 HydrophobicContact CG2-CG1 4.11Å; I448-V457 HydrophobicContact CG2-CG2 3.77Å; I448-F460 HydrophobicContact CD1-CD1 4.28Å; I448-F460 HydrophobicContact CD1-CE1 4.31Å; I448-F460 HydrophobicContact CG1-CD1 4.15Å; I448-F460 HydrophobicContact CG1-CE1 4Å; I448-D461 WeakPolarHBondContact CD1-OD1 3.43Å | ||
| 449 | P | 91.3 | Very high | 94.5 | Very high | 42 Ų | 42 | 70 Ų | 70 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | trans | -62.9 | 144.7 | 176.3 | -23.5 | 35.6 | 0 | 0 | 0 | 111.9 | T422 M424 P447 N451 M452 | T422-P449 HydrophobicContact CG2-CG 3.76Å; M424-P449 HydrophobicContact CE-CG 4.04Å; P447-P449 WeakPolarHBondContact O-CD 3.46Å; P449-N451 PolarHBondContact O-N 3.4Å; P449-N451 VanDerWaalsContact O-N 3.15Å; P449-M452 WeakPolarHBondContact O-CB 3.4Å; P449-M452 PolarHBondContact O-N 2.67Å | ||
| 450 | P | 90.1 | Very high | 94.5 | Very high | 128 Ų | 128 | 70.2 Ų | 70.2 | 83% | 0.831 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.5 | -172.9 | 25 | -34.7 | 0 | 0 | 0 | 114.5 | ||
| 451 | N | 88.7 | Confident | 94.6 | Very high | 160 Ų | 160 | 71.5 Ų | 71.5 | 86% | 0.856 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 11.4 | -175.9 | -62.2 | -22.5 | 0 | 0 | 0 | 113.5 | P449 | P449-N451 PolarHBondContact O-N 3.4Å; P449-N451 VanDerWaalsContact O-N 3.15Å |
| 452 | M | 89.5 | Confident | 94.7 | Very high | 28 Ų | 28 | 70.6 Ų | 70.6 | 14% | 0.138 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -74.5 | 136.8 | -179.6 | -168.1 | 169.6 | 177.9 | 0 | 0 | 110.8 | T421 T422 I448 P449 S454 I456 V457 | T421-M452 WeakPolarHBondContact OG1-CE 3.31Å; T422-M452 HydrophobicContact CG2-SD 4.47Å; I448-M452 HydrophobicContact CG2-SD 4.22Å; P449-M452 WeakPolarHBondContact O-CB 3.4Å; P449-M452 PolarHBondContact O-N 2.67Å; M452-S454 PolarHBondContact O-N 3.26Å; M452-I456 HydrophobicContact CE-CB 4.23Å; M452-I456 HydrophobicContact CE-CG2 3.32Å; M452-V457 HydrophobicContact CB-CG2 3.77Å; M452-V457 HydrophobicContact CG-CG2 3.73Å; M452-V457 HydrophobicContact SD-CG2 4.05Å |
| 453 | D | 91.3 | Very high | 94.7 | Very high | 52 Ų | 52 | 64.7 Ų | 64.7 | 28% | 0.278 | 34% | 0.339 | S | S | . | . | trans | -55.1 | 125.9 | -179.9 | -177.3 | -53.8 | 0 | 0 | 0 | 110.8 | R455 I456 V457 | D453-R455 PolarHBondContact O-N 3.33Å; D453-R455 WeakPolarHBondContact OD1-CA 3.44Å; D453-R455 WeakPolarHBondContact OD1-CB 3.48Å; D453-R455 WeakPolarHBondContact OD1-CG 3.34Å; D453-R455 IonicContact OD1-CZ 2.93Å; D453-R455 PolarHBondContact OD1-N 3.39Å; D453-R455 IonicContact OD1-NE 3.67Å; D453-R455 PolarHBondContact OD1-NE 3.04Å; D453-R455 VanDerWaalsContact OD1-NE 3.07Å; D453-R455 IonicContact OD1-NH2 3.36Å; D453-R455 IonicContact OD2-CZ 2.68Å; D453-R455 IonicContact OD2-NE 3.04Å; D453-R455 PolarHBondContact OD2-NE 3.4Å; D453-R455 IonicContact OD2-NH2 2.97Å; D453-R455 PolarHBondContact OD2-NH2 2.95Å; D453-I456 HydrophobicContact CB-CB 4.37Å; D453-I456 HydrophobicContact CB-CD1 3.87Å; D453-I456 HydrophobicContact CB-CG1 3.95Å; D453-I456 WeakPolarHBondContact O-CA 3.24Å; D453-I456 WeakPolarHBondContact O-CB 3.42Å; D453-I456 PolarHBondContact O-N 2.78Å; D453-V457 PolarHBondContact O-N 2.79Å | ||
| 454 | S | 93.3 | Very high | 94.9 | Very high | 94 Ų | 94 | 61.1 Ų | 61.1 | 66% | 0.657 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -52.8 | -30.2 | -177.2 | 63.8 | 0 | 0 | 0 | 0 | 114.8 | M452 R458 | M452-S454 PolarHBondContact O-N 3.26Å; S454-R458 WeakPolarHBondContact O-CB 3.24Å; S454-R458 PolarHBondContact O-N 3.03Å |
| 455 | R | 93.5 | Very high | 94.9 | Very high | 98 Ų | 98 | 63.4 Ų | 63.4 | 37% | 0.37 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71.8 | -41.4 | 176.8 | -60.1 | 170.5 | -73.2 | 179.6 | -9.6 | 111 | D453 R458 L459 M485 | D453-R455 PolarHBondContact O-N 3.33Å; D453-R455 WeakPolarHBondContact OD1-CA 3.44Å; D453-R455 WeakPolarHBondContact OD1-CB 3.48Å; D453-R455 WeakPolarHBondContact OD1-CG 3.34Å; D453-R455 IonicContact OD1-CZ 2.93Å; D453-R455 PolarHBondContact OD1-N 3.39Å; D453-R455 IonicContact OD1-NE 3.67Å; D453-R455 PolarHBondContact OD1-NE 3.04Å; D453-R455 VanDerWaalsContact OD1-NE 3.07Å; D453-R455 IonicContact OD1-NH2 3.36Å; D453-R455 IonicContact OD2-CZ 2.68Å; D453-R455 IonicContact OD2-NE 3.04Å; D453-R455 PolarHBondContact OD2-NE 3.4Å; D453-R455 IonicContact OD2-NH2 2.97Å; D453-R455 PolarHBondContact OD2-NH2 2.95Å; R455-R458 PolarHBondContact O-N 2.82Å; R455-L459 WeakPolarHBondContact O-CB 3.47Å; R455-L459 PolarHBondContact O-N 2.78Å; R455-M485 HydrophobicContact CB-CE 4.08Å |
| 456 | I | 94.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.8 | -44.3 | 175.6 | -57.5 | 177.8 | 0 | 0 | 0 | 109.4 | L417 T421 M452 D453 R458 L459 F460 M485 | L417-I456 HydrophobicContact CD1-CG2 4.09Å; L417-I456 HydrophobicContact CD2-CG2 4.29Å; L417-I456 HydrophobicContact CG-CG2 4.1Å; T421-I456 HydrophobicContact CG2-CD1 3.85Å; T421-I456 HydrophobicContact CG2-CG2 3.77Å; M452-I456 HydrophobicContact CE-CB 4.23Å; M452-I456 HydrophobicContact CE-CG2 3.32Å; D453-I456 HydrophobicContact CB-CB 4.37Å; D453-I456 HydrophobicContact CB-CD1 3.87Å; D453-I456 HydrophobicContact CB-CG1 3.95Å; D453-I456 WeakPolarHBondContact O-CA 3.24Å; D453-I456 WeakPolarHBondContact O-CB 3.42Å; D453-I456 PolarHBondContact O-N 2.78Å; I456-R458 PolarHBondContact O-N 2.86Å; I456-L459 PolarHBondContact O-N 2.82Å; I456-F460 VanDerWaalsContact O-CB 3.3Å; I456-F460 WeakPolarHBondContact O-CB 3.17Å; I456-F460 PolarHBondContact O-N 3.4Å; I456-M485 HydrophobicContact CB-CE 4.34Å; I456-M485 HydrophobicContact CG1-CE 3.45Å; I456-M485 VanDerWaalsContact CG1-CE 3.45Å |
| 457 | V | 96.5 | Very high | 94.8 | Very high | 29 Ų | 29 | 67.4 Ų | 67.4 | 18% | 0.176 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56.5 | -49.7 | 174.9 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | I448 M452 D453 L459 F460 D461 | I448-V457 HydrophobicContact CD1-CG1 4.19Å; I448-V457 HydrophobicContact CG2-CG1 4.11Å; I448-V457 HydrophobicContact CG2-CG2 3.77Å; M452-V457 HydrophobicContact CB-CG2 3.77Å; M452-V457 HydrophobicContact CG-CG2 3.73Å; M452-V457 HydrophobicContact SD-CG2 4.05Å; D453-V457 PolarHBondContact O-N 2.79Å; V457-L459 VanDerWaalsContact C-N 3.31Å; V457-L459 PolarHBondContact O-N 2.71Å; V457-F460 PolarHBondContact O-N 3.1Å; V457-D461 WeakPolarHBondContact O-CB 3.49Å; V457-D461 PolarHBondContact O-N 3.48Å |
| 458 | R | 96.7 | Very high | 94.9 | Very high | 188 Ų | 188 | 65.1 Ų | 65.1 | 71% | 0.709 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.8 | -40.1 | 178.8 | -173.5 | 177.1 | -179.1 | 178.3 | 0.4 | 112.4 | S454 R455 I456 L462 | S454-R458 WeakPolarHBondContact O-CB 3.24Å; S454-R458 PolarHBondContact O-N 3.03Å; R455-R458 PolarHBondContact O-N 2.82Å; I456-R458 PolarHBondContact O-N 2.86Å; R458-L462 HydrophobicContact CG-CD1 4.45Å; R458-L462 VanDerWaalsContact O-CG 3.25Å; R458-L462 WeakPolarHBondContact O-CG 3.5Å; R458-L462 PolarHBondContact O-N 3.34Å; R458-L462 VanDerWaalsContact O-N 3.17Å |
| 459 | L | 97 | Very high | 95 | Very high | 8 Ų | 8 | 64.8 Ų | 64.8 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.9 | -46.8 | 177.1 | -179.5 | 57.7 | 0 | 0 | 0 | 111.2 | L417 R455 I456 V457 D461 L462 C463 L478 L481 L482 M485 | L417-L459 HydrophobicContact CD2-CB 4.16Å; L417-L459 HydrophobicContact CD2-CD2 3.72Å; L417-L459 HydrophobicContact CD2-CG 3.76Å; R455-L459 WeakPolarHBondContact O-CB 3.47Å; R455-L459 PolarHBondContact O-N 2.78Å; I456-L459 PolarHBondContact O-N 2.82Å; V457-L459 VanDerWaalsContact C-N 3.31Å; V457-L459 PolarHBondContact O-N 2.71Å; L459-D461 VanDerWaalsContact C-N 3.35Å; L459-D461 PolarHBondContact O-N 2.77Å; L459-L462 WeakPolarHBondContact O-CB 3.29Å; L459-L462 PolarHBondContact O-N 2.81Å; L459-L462 VanDerWaalsContact O-N 3.13Å; L459-C463 PolarHBondContact O-N 3.06Å; L459-C463 PolarHBondContact O-SG 2.56Å; L459-L478 HydrophobicContact CD1-CD1 3.75Å; L459-L478 HydrophobicContact CD2-CD1 4.46Å; L459-L481 HydrophobicContact CD1-CD2 4.42Å; L459-L482 HydrophobicContact CD2-CD2 3.55Å; L459-L482 HydrophobicContact CD2-CG 4.49Å; L459-M485 HydrophobicContact CD2-SD 4.38Å |
| 460 | F | 97.7 | Very high | 95.3 | Very high | 8 Ų | 8 | 69.3 Ų | 69.3 | 4% | 0.035 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -55.1 | -48.3 | 175.1 | 172.7 | -106.9 | 0 | 0 | 0 | 111.9 | G414 L417 W418 L446 I448 I456 V457 L462 C463 T464 | G414-F460 WeakPolarHBondContact O-CD2 3.37Å; G414-F460 WeakPolarHBondContact O-CE2 3.49Å; L417-F460 HydrophobicContact CD2-CB 4.49Å; W418-F460 HydrophobicContact CB-CD2 3.82Å; W418-F460 HydrophobicContact CB-CE2 3.59Å; W418-F460 HydrophobicContact CB-CZ 4.29Å; W418-F460 AromaticContact CD1-CZ 3.97Å; W418-F460 HydrophobicContact CG-CE2 4.09Å; W418-F460 HydrophobicContact CG-CZ 4.33Å; L446-F460 HydrophobicContact CB-CZ 4.18Å; L446-F460 HydrophobicContact CD1-CZ 4.46Å; I448-F460 HydrophobicContact CD1-CD1 4.28Å; I448-F460 HydrophobicContact CD1-CE1 4.31Å; I448-F460 HydrophobicContact CG1-CD1 4.15Å; I448-F460 HydrophobicContact CG1-CE1 4Å; I456-F460 VanDerWaalsContact O-CB 3.3Å; I456-F460 WeakPolarHBondContact O-CB 3.17Å; I456-F460 PolarHBondContact O-N 3.4Å; V457-F460 PolarHBondContact O-N 3.1Å; F460-L462 VanDerWaalsContact C-N 3.27Å; F460-L462 PolarHBondContact O-N 3.2Å; F460-C463 PolarHBondContact O-N 2.9Å; F460-T464 HydrophobicContact CD2-CG2 4.01Å; F460-T464 HydrophobicContact CE2-CG2 3.59Å; F460-T464 HydrophobicContact CZ-CG2 4.02Å; F460-T464 WeakPolarHBondContact O-CB 3.49Å; F460-T464 PolarHBondContact O-N 3.36Å; F460-T464 PolarHBondContact O-OG1 2.92Å |
| 461 | D | 97.4 | Very high | 95.7 | Very high | 63 Ų | 63 | 63.9 Ų | 63.9 | 34% | 0.337 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.5 | -31.6 | 177.8 | -76.9 | -15.9 | 0 | 0 | 0 | 113.1 | I448 V457 L459 K465 | I448-D461 WeakPolarHBondContact CD1-OD1 3.43Å; V457-D461 WeakPolarHBondContact O-CB 3.49Å; V457-D461 PolarHBondContact O-N 3.48Å; L459-D461 VanDerWaalsContact C-N 3.35Å; L459-D461 PolarHBondContact O-N 2.77Å; D461-K465 WeakPolarHBondContact O-CE 3.28Å; D461-K465 WeakPolarHBondContact O-CG 3.32Å; D461-K465 PolarHBondContact O-N 2.9Å |
| 462 | L | 97.6 | Very high | 96.1 | Very high | 72 Ų | 72 | 58.2 Ų | 58.2 | 38% | 0.377 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -74.2 | -44.9 | 175 | -74.8 | 170.8 | 0 | 0 | 0 | 111.2 | R458 L459 F460 T464 | R458-L462 HydrophobicContact CG-CD1 4.45Å; R458-L462 VanDerWaalsContact O-CG 3.25Å; R458-L462 WeakPolarHBondContact O-CG 3.5Å; R458-L462 PolarHBondContact O-N 3.34Å; R458-L462 VanDerWaalsContact O-N 3.17Å; L459-L462 WeakPolarHBondContact O-CB 3.29Å; L459-L462 PolarHBondContact O-N 2.81Å; L459-L462 VanDerWaalsContact O-N 3.13Å; F460-L462 VanDerWaalsContact C-N 3.27Å; F460-L462 PolarHBondContact O-N 3.2Å; L462-T464 VanDerWaalsContact C-N 3.28Å; L462-T464 PolarHBondContact O-N 2.76Å |
| 463 | C | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.5 | -33.7 | 177.6 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | M410 W411 L459 F460 R471 | M410-C463 HydrophobicContact CG-CB 4.19Å; M410-C463 HydrophobicContact SD-CB 4.26Å; M410-C463 VanDerWaalsContact SD-SG 3.61Å; W411-C463 WeakPolarHBondContact CA-O 3.3Å; L459-C463 PolarHBondContact O-N 3.06Å; L459-C463 PolarHBondContact O-SG 2.56Å; F460-C463 PolarHBondContact O-N 2.9Å; C463-R471 VanDerWaalsContact O-CD 3.29Å; C463-R471 WeakPolarHBondContact O-CD 3.2Å; C463-R471 WeakPolarHBondContact O-CG 3.28Å |
| 464 | T | 98 | Very high | 96.7 | Very high | 22 Ų | 22 | 62.8 Ų | 62.8 | 14% | 0.135 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 25.6 | -175.4 | 61.2 | 0 | 0 | 0 | 0 | 113.8 | W411 F460 L462 D466 | W411-T464 HydrophobicContact CD2-CG2 4.37Å; W411-T464 WeakPolarHBondContact CZ3-O 3.46Å; F460-T464 HydrophobicContact CD2-CG2 4.01Å; F460-T464 HydrophobicContact CE2-CG2 3.59Å; F460-T464 HydrophobicContact CZ-CG2 4.02Å; F460-T464 WeakPolarHBondContact O-CB 3.49Å; F460-T464 PolarHBondContact O-N 3.36Å; F460-T464 PolarHBondContact O-OG1 2.92Å; L462-T464 VanDerWaalsContact C-N 3.28Å; L462-T464 PolarHBondContact O-N 2.76Å; T464-D466 PolarHBondContact O-N 3.32Å |
| 465 | K | 97.5 | Very high | 96.8 | Very high | 89 Ų | 89 | 60.1 Ų | 60.1 | 39% | 0.387 | 30% | 0.296 | S | S | . | . | trans | -60.3 | 135.9 | 171.6 | -76.7 | -63.2 | 176.8 | -169.1 | 0 | 111.4 | D461 D467 K470 R471 | D461-K465 WeakPolarHBondContact O-CE 3.28Å; D461-K465 WeakPolarHBondContact O-CG 3.32Å; D461-K465 PolarHBondContact O-N 2.9Å; K465-D467 PolarHBondContact O-N 2.79Å; K465-K470 HydrophobicContact CB-CB 4.22Å; K465-K470 HydrophobicContact CG-CB 4.15Å; K465-R471 HydrophobicContact CB-CG 4.18Å; K465-R471 PolarHBondContact O-NE 3.04Å; K465-R471 PolarHBondContact O-NH2 3.14Å; K465-R471 VanDerWaalsContact O-NH2 3.09Å | ||
| 466 | D | 95.3 | Very high | 96.7 | Very high | 97 Ų | 97 | 60.1 Ų | 60.1 | 52% | 0.519 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -60.1 | -35.9 | 175.5 | -67 | -47.5 | 0 | 0 | 0 | 112.2 | R445 T464 P468 | R445-D466 IonicContact CZ-OD1 3.56Å; R445-D466 IonicContact NE-OD1 3.4Å; R445-D466 PolarHBondContact NE-OD1 3.05Å; R445-D466 IonicContact NH2-OD1 2.82Å; R445-D466 PolarHBondContact NH2-OD1 3.39Å; T464-D466 PolarHBondContact O-N 3.32Å; D466-P468 VanDerWaalsContact O-CD 3.27Å; D466-P468 WeakPolarHBondContact O-CD 3.49Å |
| 467 | D | 96.6 | Very high | 96.8 | Very high | 75 Ų | 75 | 66.7 Ų | 66.7 | 40% | 0.401 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -80.5 | 110.7 | 172.3 | 179.8 | -0.6 | 0 | 0 | 0 | 110.3 | K465 G469 K470 | K465-D467 PolarHBondContact O-N 2.79Å; D467-G469 PolarHBondContact O-N 2.94Å; D467-G469 PolarHBondContact OD1-N 2.79Å; D467-K470 HydrophobicContact CB-CB 4.49Å; D467-K470 HydrophobicContact CB-CD 4.03Å; D467-K470 HydrophobicContact CB-CG 4.2Å; D467-K470 PolarHBondContact O-N 3.38Å; D467-K470 VanDerWaalsContact O-N 3.1Å; D467-K470 WeakPolarHBondContact OD2-CD 3.46Å; D467-K470 WeakPolarHBondContact OD2-CE 3.23Å; D467-K470 WeakPolarHBondContact OD2-CG 3.46Å; D467-K470 IonicContact OD2-NZ 3.96Å |
| 468 | P | 97.4 | Very high | 96.8 | Very high | 37 Ų | 37 | 65.7 Ų | 65.7 | 24% | 0.24 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -61.1 | -28.1 | -177.4 | -21 | 33.6 | 0 | 0 | 0 | 113.1 | E394 A407 D466 K470 R471 | E394-P468 HydrophobicContact CG-CG 4.35Å; E394-P468 WeakPolarHBondContact OE1-CG 3.14Å; A407-P468 HydrophobicContact CB-CB 3.77Å; A407-P468 WeakPolarHBondContact CB-O 3.35Å; D466-P468 VanDerWaalsContact O-CD 3.27Å; D466-P468 WeakPolarHBondContact O-CD 3.49Å; P468-K470 PolarHBondContact O-N 3.09Å; P468-R471 PolarHBondContact O-N 3.33Å |
| 469 | G | 97 | Very high | 96.8 | Very high | 67 Ų | 67 | 57 Ų | 57 | 69% | 0.691 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -71.2 | -11.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D467 | D467-G469 PolarHBondContact O-N 2.94Å; D467-G469 PolarHBondContact OD1-N 2.79Å |
| 470 | K | 97.5 | Very high | 96.7 | Very high | 136 Ų | 136 | 61.4 Ų | 61.4 | 59% | 0.591 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -98.3 | -7.2 | 177.7 | -67.6 | 179.9 | -176.2 | 161 | 0 | 113.6 | K465 D467 P468 | K465-K470 HydrophobicContact CB-CB 4.22Å; K465-K470 HydrophobicContact CG-CB 4.15Å; D467-K470 HydrophobicContact CB-CB 4.49Å; D467-K470 HydrophobicContact CB-CD 4.03Å; D467-K470 HydrophobicContact CB-CG 4.2Å; D467-K470 PolarHBondContact O-N 3.38Å; D467-K470 VanDerWaalsContact O-N 3.1Å; D467-K470 WeakPolarHBondContact OD2-CD 3.46Å; D467-K470 WeakPolarHBondContact OD2-CE 3.23Å; D467-K470 WeakPolarHBondContact OD2-CG 3.46Å; D467-K470 IonicContact OD2-NZ 3.96Å; P468-K470 PolarHBondContact O-N 3.09Å |
| 471 | R | 98.2 | Very high | 96.6 | Very high | 15 Ų | 15 | 64.9 Ų | 64.9 | 6% | 0.057 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -74.2 | 143.4 | 177.1 | -58.3 | 177 | -166 | 155.7 | 9.9 | 108.9 | E394 A407 M410 C463 K465 P468 | E394-R471 IonicContact OE1-CZ 2.81Å; E394-R471 VanDerWaalsContact OE1-CZ 3.27Å; E394-R471 IonicContact OE1-NH1 2.64Å; E394-R471 PolarHBondContact OE1-NH1 2.92Å; E394-R471 IonicContact OE1-NH2 3.88Å; E394-R471 PolarHBondContact OE1-NH2 3.27Å; E394-R471 VanDerWaalsContact OE1-NH2 3.1Å; E394-R471 IonicContact OE2-CZ 3.5Å; E394-R471 IonicContact OE2-NH1 3.99Å; E394-R471 IonicContact OE2-NH2 3Å; E394-R471 PolarHBondContact OE2-NH2 3.17Å; A407-R471 WeakPolarHBondContact O-CD 3.46Å; A407-R471 PolarHBondContact O-NH1 3.38Å; M410-R471 HydrophobicContact CB-CB 4.34Å; M410-R471 HydrophobicContact CG-CB 4.06Å; C463-R471 VanDerWaalsContact O-CD 3.29Å; C463-R471 WeakPolarHBondContact O-CD 3.2Å; C463-R471 WeakPolarHBondContact O-CG 3.28Å; K465-R471 HydrophobicContact CB-CG 4.18Å; K465-R471 PolarHBondContact O-NE 3.04Å; K465-R471 PolarHBondContact O-NH2 3.14Å; K465-R471 VanDerWaalsContact O-NH2 3.09Å; P468-R471 PolarHBondContact O-N 3.33Å |
| 472 | P | 97.6 | Very high | 96.5 | Very high | 41 Ų | 41 | 61.9 Ų | 61.9 | 27% | 0.266 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 167.9 | 174.1 | 29.1 | -33.6 | 0 | 0 | 0 | 110.6 | M410 | M410-P472 HydrophobicContact CE-CG 4.24Å; M410-P472 WeakPolarHBondContact CE-O 3.18Å; M410-P472 HydrophobicContact CG-CG 4Å; M410-P472 WeakPolarHBondContact CG-O 2.89Å; M410-P472 HydrophobicContact SD-CG 3.92Å |
| 473 | R | 96.8 | Very high | 96.3 | Very high | 163 Ų | 163 | 59.9 Ų | 59.9 | 62% | 0.615 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -98 | 158.5 | 169.2 | -63.4 | -176.6 | -59.3 | 177.8 | 4.3 | 109.7 | M410 D475 | M410-R473 VanDerWaalsContact CE-C 3.46Å; R473-D475 PolarHBondContact O-N 3.27Å |
| 474 | F | 96 | Very high | 96.1 | Very high | 13 Ų | 13 | 65.5 Ų | 65.5 | 6% | 0.057 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -70.7 | 100.3 | 162.1 | -62.2 | -79 | 0 | 0 | 0 | 107.4 | A309 M312 E313 H316 D409 M410 F413 L478 | A309-F474 HydrophobicContact CB-CD1 4.11Å; A309-F474 HydrophobicContact CB-CE1 4.46Å; M312-F474 HydrophobicContact CB-CB 4.4Å; M312-F474 HydrophobicContact CB-CD1 3.7Å; M312-F474 HydrophobicContact CB-CD2 3.74Å; M312-F474 HydrophobicContact CB-CE1 3.77Å; M312-F474 HydrophobicContact CB-CE2 3.81Å; M312-F474 HydrophobicContact CB-CG 3.67Å; M312-F474 HydrophobicContact CB-CZ 3.82Å; M312-F474 HydrophobicContact CE-CE2 4.41Å; M312-F474 HydrophobicContact CG-CE1 4.13Å; M312-F474 HydrophobicContact CG-CE2 4.27Å; M312-F474 HydrophobicContact CG-CZ 3.98Å; E313-F474 HydrophobicContact CB-CB 4.01Å; H316-F474 AromaticContact CE1-CD2 3.56Å; H316-F474 AromaticContact CE1-CE2 3.75Å; H316-F474 AromaticContact ND1-CD2 3.46Å; H316-F474 WeakPolarHBondContact ND1-CD2 3.45Å; D409-F474 HydrophobicContact CB-CE2 4.16Å; M410-F474 HydrophobicContact CB-CE2 4.36Å; M410-F474 HydrophobicContact CE-CD1 3.68Å; M410-F474 HydrophobicContact CE-CD2 3.68Å; M410-F474 HydrophobicContact CE-CE1 3.65Å; M410-F474 HydrophobicContact CE-CE2 3.65Å; M410-F474 HydrophobicContact CE-CG 3.71Å; M410-F474 HydrophobicContact CE-CZ 3.64Å; M410-F474 HydrophobicContact SD-CE1 4.22Å; M410-F474 HydrophobicContact SD-CE2 4.48Å; M410-F474 HydrophobicContact SD-CZ 4.08Å; F413-F474 HydrophobicContact CB-CE1 3.9Å; F413-F474 HydrophobicContact CB-CZ 3.58Å; F413-F474 HydrophobicContact CD1-CE1 4.06Å; F413-F474 HydrophobicContact CD1-CZ 4.45Å; F413-F474 AromaticContact CD2-CE1 3.75Å; F413-F474 HydrophobicContact CD2-CE1 3.75Å; F413-F474 HydrophobicContact CD2-CZ 4.27Å; F413-F474 HydrophobicContact CE2-CE1 4.23Å; F413-F474 AromaticContact CG-CE1 3.63Å; F413-F474 HydrophobicContact CG-CE1 3.63Å; F413-F474 AromaticContact CG-CZ 3.87Å; F413-F474 HydrophobicContact CG-CZ 3.87Å; F474-L478 HydrophobicContact CD1-CD2 4.1Å |
| 475 | D | 95.2 | Very high | 95.9 | Very high | 37 Ų | 37 | 65 Ų | 65 | 20% | 0.198 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -143.2 | 173.4 | 177.4 | 66.3 | 24.4 | 0 | 0 | 0 | 110.7 | R473 Q477 L478 I479 | R473-D475 PolarHBondContact O-N 3.27Å; D475-Q477 PolarHBondContact O-N 3.41Å; D475-Q477 VanDerWaalsContact O-N 3.09Å; D475-Q477 WeakPolarHBondContact OD1-CA 3.36Å; D475-Q477 WeakPolarHBondContact OD1-CB 3.38Å; D475-Q477 PolarHBondContact OD1-N 3.23Å; D475-L478 PolarHBondContact O-N 3.16Å; D475-L478 VanDerWaalsContact O-N 3.15Å; D475-L478 PolarHBondContact OD1-N 3.39Å; D475-I479 WeakPolarHBondContact O-CG1 3.43Å; D475-I479 PolarHBondContact O-N 2.97Å |
| 476 | I | 92.7 | Very high | 95.6 | Very high | 98 Ų | 98 | 62.3 Ų | 62.3 | 50% | 0.503 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -53.9 | -30.2 | 179.5 | -165.7 | 63 | 0 | 0 | 0 | 113.2 | Q480 | I476-Q480 HydrophobicContact CG1-CG 4.4Å; I476-Q480 VanDerWaalsContact O-CB 3.3Å; I476-Q480 WeakPolarHBondContact O-CB 3.39Å; I476-Q480 WeakPolarHBondContact O-CG 3.3Å; I476-Q480 PolarHBondContact O-N 2.93Å |
| 477 | Q | 96 | Very high | 95.2 | Very high | 142 Ų | 142 | 62.8 Ų | 62.8 | 66% | 0.664 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -73.9 | -43.2 | -178.6 | -57.8 | -179.1 | 9.5 | 0 | 0 | 110.9 | D475 L481 | D475-Q477 PolarHBondContact O-N 3.41Å; D475-Q477 VanDerWaalsContact O-N 3.09Å; D475-Q477 WeakPolarHBondContact OD1-CA 3.36Å; D475-Q477 WeakPolarHBondContact OD1-CB 3.38Å; D475-Q477 PolarHBondContact OD1-N 3.23Å; Q477-L481 WeakPolarHBondContact O-CB 3.47Å; Q477-L481 PolarHBondContact O-N 2.92Å |
| 478 | L | 97.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 65.7 Ų | 65.7 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 173.3 | 177 | 61.9 | 0 | 0 | 0 | 111 | M410 F413 L459 F474 D475 Q480 L481 L482 | M410-L478 HydrophobicContact CE-CD2 3.53Å; M410-L478 HydrophobicContact SD-CD2 4.17Å; F413-L478 HydrophobicContact CE1-CD2 4.4Å; L459-L478 HydrophobicContact CD1-CD1 3.75Å; L459-L478 HydrophobicContact CD2-CD1 4.46Å; F474-L478 HydrophobicContact CD1-CD2 4.1Å; D475-L478 PolarHBondContact O-N 3.16Å; D475-L478 VanDerWaalsContact O-N 3.15Å; D475-L478 PolarHBondContact OD1-N 3.39Å; L478-Q480 PolarHBondContact O-N 3.48Å; L478-L481 WeakPolarHBondContact O-CB 3.49Å; L478-L481 PolarHBondContact O-N 3.14Å; L478-L482 HydrophobicContact CD1-CD1 4.24Å; L478-L482 HydrophobicContact CD1-CG 4.32Å; L478-L482 HydrophobicContact CG-CD1 4.06Å; L478-L482 WeakPolarHBondContact O-CG 3.03Å; L478-L482 PolarHBondContact O-N 2.95Å |
| 479 | I | 96 | Very high | 94.1 | Very high | 6 Ų | 6 | 65.5 Ų | 65.5 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 179.9 | -66.4 | 163.9 | 0 | 0 | 0 | 110.5 | V306 A309 K310 E313 D475 L481 L482 D483 | V306-I479 HydrophobicContact CG1-CG2 4.48Å; A309-I479 HydrophobicContact CB-CG1 4.21Å; K310-I479 HydrophobicContact CG-CD1 3.96Å; K310-I479 HydrophobicContact CG-CG1 4.3Å; K310-I479 HydrophobicContact CG-CG2 4.09Å; E313-I479 HydrophobicContact CB-CD1 4.19Å; E313-I479 HydrophobicContact CG-CD1 4.43Å; D475-I479 WeakPolarHBondContact O-CG1 3.43Å; D475-I479 PolarHBondContact O-N 2.97Å; I479-L481 VanDerWaalsContact C-N 3.32Å; I479-L481 PolarHBondContact O-N 3.1Å; I479-L482 PolarHBondContact O-N 3.27Å; I479-D483 PolarHBondContact O-N 3.16Å |
| 480 | Q | 94.6 | Very high | 92.4 | Very high | 99 Ų | 99 | 66.1 Ų | 66.1 | 46% | 0.463 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.6 | -35.7 | 176.4 | -75.9 | 174.7 | 0.1 | 0 | 0 | 113.1 | I476 L478 K484 | I476-Q480 HydrophobicContact CG1-CG 4.4Å; I476-Q480 VanDerWaalsContact O-CB 3.3Å; I476-Q480 WeakPolarHBondContact O-CB 3.39Å; I476-Q480 WeakPolarHBondContact O-CG 3.3Å; I476-Q480 PolarHBondContact O-N 2.93Å; L478-Q480 PolarHBondContact O-N 3.48Å; Q480-K484 VanDerWaalsContact O-CG 3.29Å; Q480-K484 WeakPolarHBondContact O-CG 3.35Å; Q480-K484 PolarHBondContact O-N 2.81Å; Q480-K484 VanDerWaalsContact O-N 3.07Å |
| 481 | L | 96 | Very high | 90 | Very high | 82 Ų | 82 | 70 Ų | 70 | 43% | 0.429 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 174.8 | 176.2 | 65.3 | 0 | 0 | 0 | 110.8 | L459 Q477 L478 I479 K484 M485 | L459-L481 HydrophobicContact CD1-CD2 4.42Å; Q477-L481 WeakPolarHBondContact O-CB 3.47Å; Q477-L481 PolarHBondContact O-N 2.92Å; L478-L481 WeakPolarHBondContact O-CB 3.49Å; L478-L481 PolarHBondContact O-N 3.14Å; I479-L481 VanDerWaalsContact C-N 3.32Å; I479-L481 PolarHBondContact O-N 3.1Å; L481-K484 PolarHBondContact O-N 2.88Å; L481-M485 HydrophobicContact CG-SD 4.27Å; L481-M485 WeakPolarHBondContact O-CG 3.41Å; L481-M485 PolarHBondContact O-N 3.45Å |
| 482 | L | 96 | Very high | 89.6 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 178.5 | -68.6 | 167.7 | 0 | 0 | 0 | 111.9 | T305 V306 A309 F413 L459 L478 I479 K484 M485 R486 | T305-L482 HydrophobicContact CG2-CD1 4.02Å; T305-L482 HydrophobicContact CG2-CD2 3.5Å; T305-L482 VanDerWaalsContact CG2-CD2 3.5Å; T305-L482 HydrophobicContact CG2-CG 4.35Å; V306-L482 HydrophobicContact CG2-CB 3.56Å; A309-L482 HydrophobicContact CB-CD1 3.75Å; F413-L482 HydrophobicContact CZ-CD1 3.83Å; L459-L482 HydrophobicContact CD2-CD2 3.55Å; L459-L482 HydrophobicContact CD2-CG 4.49Å; L478-L482 HydrophobicContact CD1-CD1 4.24Å; L478-L482 HydrophobicContact CD1-CG 4.32Å; L478-L482 HydrophobicContact CG-CD1 4.06Å; L478-L482 WeakPolarHBondContact O-CG 3.03Å; L478-L482 PolarHBondContact O-N 2.95Å; I479-L482 PolarHBondContact O-N 3.27Å; L482-K484 VanDerWaalsContact C-N 3.34Å; L482-K484 PolarHBondContact O-N 2.61Å; L482-M485 WeakPolarHBondContact O-CB 3.45Å; L482-M485 PolarHBondContact O-N 2.77Å; L482-M485 VanDerWaalsContact O-N 3.15Å; L482-R486 WeakPolarHBondContact O-CB 3.31Å; L482-R486 PolarHBondContact O-N 3.07Å |
| 483 | D | 92.1 | Very high | 89.2 | Confident | 30 Ų | 30 | 74.4 Ų | 74.4 | 16% | 0.16 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.7 | -44.9 | 174.8 | -83.2 | -40.6 | 0 | 0 | 0 | 111 | V306 I479 M485 R486 E487 | V306-D483 WeakPolarHBondContact CG1-OD1 3.36Å; I479-D483 PolarHBondContact O-N 3.16Å; D483-M485 VanDerWaalsContact C-N 3.33Å; D483-M485 PolarHBondContact O-N 2.96Å; D483-R486 WeakPolarHBondContact O-CB 3.32Å; D483-R486 PolarHBondContact O-N 3Å; D483-R486 IonicContact OD1-CZ 3.78Å; D483-R486 IonicContact OD1-NH1 3.28Å; D483-R486 PolarHBondContact OD1-NH1 3.43Å; D483-R486 IonicContact OD1-NH2 3.8Å; D483-R486 PolarHBondContact OD1-NH2 3.22Å; D483-E487 WeakPolarHBondContact O-CG 3.44Å; D483-E487 PolarHBondContact O-N 3.17Å |
| 484 | K | 93.6 | Very high | 88.8 | Confident | 117 Ų | 117 | 69.5 Ų | 69.5 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.2 | -36.1 | 175.1 | -74 | 172.6 | -175.5 | 174 | 0 | 113.1 | Q480 L481 L482 R488 | Q480-K484 VanDerWaalsContact O-CG 3.29Å; Q480-K484 WeakPolarHBondContact O-CG 3.35Å; Q480-K484 PolarHBondContact O-N 2.81Å; Q480-K484 VanDerWaalsContact O-N 3.07Å; L481-K484 PolarHBondContact O-N 2.88Å; L482-K484 VanDerWaalsContact C-N 3.34Å; L482-K484 PolarHBondContact O-N 2.61Å; K484-R488 VanDerWaalsContact O-CG 3.31Å; K484-R488 WeakPolarHBondContact O-CG 3.48Å; K484-R488 PolarHBondContact O-N 3.02Å |
| 485 | M | 93.7 | Very high | 88.4 | Confident | 11 Ų | 11 | 72.8 Ų | 72.8 | 5% | 0.054 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66 | -44.5 | 174.9 | -71.6 | 173.3 | 66.6 | 0 | 0 | 110.6 | L302 R455 I456 L459 L481 L482 D483 R488 A489 | L302-M485 HydrophobicContact CD1-CB 4.35Å; L302-M485 HydrophobicContact CD2-CB 4.45Å; R455-M485 HydrophobicContact CB-CE 4.08Å; I456-M485 HydrophobicContact CB-CE 4.34Å; I456-M485 HydrophobicContact CG1-CE 3.45Å; I456-M485 VanDerWaalsContact CG1-CE 3.45Å; L459-M485 HydrophobicContact CD2-SD 4.38Å; L481-M485 HydrophobicContact CG-SD 4.27Å; L481-M485 WeakPolarHBondContact O-CG 3.41Å; L481-M485 PolarHBondContact O-N 3.45Å; L482-M485 WeakPolarHBondContact O-CB 3.45Å; L482-M485 PolarHBondContact O-N 2.77Å; L482-M485 VanDerWaalsContact O-N 3.15Å; D483-M485 VanDerWaalsContact C-N 3.33Å; D483-M485 PolarHBondContact O-N 2.96Å; M485-R488 PolarHBondContact O-N 3.33Å; M485-A489 PolarHBondContact O-N 2.76Å |
| 486 | R | 91.7 | Very high | 87.9 | Confident | 33 Ų | 33 | 75.1 Ų | 75.1 | 13% | 0.125 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 176.5 | -171.6 | -174.5 | 80.3 | -147.5 | -10.3 | 111.9 | R299 L302 E364 L482 D483 R488 A489 | R299-R486 HydrophobicContact CG-CG 3.9Å; R299-R486 PolarHBondContact NH1-O 2.88Å; L302-R486 HydrophobicContact CB-CB 3.86Å; L302-R486 HydrophobicContact CB-CG 4.02Å; E364-R486 WeakPolarHBondContact OE1-CD 3.44Å; E364-R486 IonicContact OE1-CZ 3Å; E364-R486 IonicContact OE1-NE 3.01Å; E364-R486 PolarHBondContact OE1-NE 2.86Å; L482-R486 WeakPolarHBondContact O-CB 3.31Å; L482-R486 PolarHBondContact O-N 3.07Å; D483-R486 WeakPolarHBondContact O-CB 3.32Å; D483-R486 PolarHBondContact O-N 3Å; D483-R486 IonicContact OD1-CZ 3.78Å; D483-R486 IonicContact OD1-NH1 3.28Å; D483-R486 PolarHBondContact OD1-NH1 3.43Å; D483-R486 IonicContact OD1-NH2 3.8Å; D483-R486 PolarHBondContact OD1-NH2 3.22Å; R486-R488 VanDerWaalsContact C-N 3.26Å; R486-R488 PolarHBondContact O-N 2.98Å; R486-A489 WeakPolarHBondContact O-CB 3.47Å; R486-A489 PolarHBondContact O-N 3.46Å; R486-A489 VanDerWaalsContact O-N 3.12Å |
| 487 | E | 87.4 | Confident | 87.6 | Confident | 108 Ų | 108 | 73.5 Ų | 73.5 | 51% | 0.505 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.2 | -34.1 | 178.4 | -74.9 | 172.2 | -179.6 | 0 | 0 | 113.1 | D483 S490 | D483-E487 WeakPolarHBondContact O-CG 3.44Å; D483-E487 PolarHBondContact O-N 3.17Å; E487-S490 PolarHBondContact O-OG 2.89Å |
| 488 | R | 87.5 | Confident | 87 | Confident | 135 Ų | 135 | 68.6 Ų | 68.6 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -78.6 | -19.3 | 177.3 | -71.6 | 176 | -175.8 | -170.7 | 2.6 | 113.6 | K484 M485 R486 S490 Q491 | K484-R488 VanDerWaalsContact O-CG 3.31Å; K484-R488 WeakPolarHBondContact O-CG 3.48Å; K484-R488 PolarHBondContact O-N 3.02Å; M485-R488 PolarHBondContact O-N 3.33Å; R486-R488 VanDerWaalsContact C-N 3.26Å; R486-R488 PolarHBondContact O-N 2.98Å; R488-S490 PolarHBondContact O-N 2.92Å; R488-Q491 PolarHBondContact O-N 2.94Å; R488-Q491 VanDerWaalsContact O-N 3.13Å |
| 489 | A | 83.3 | Confident | 86.2 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 28% | 0.281 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -10.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R299 L302 M485 R486 | R299-A489 HydrophobicContact CB-CB 4.26Å; L302-A489 HydrophobicContact CD1-CB 3.95Å; M485-A489 PolarHBondContact O-N 2.76Å; R486-A489 WeakPolarHBondContact O-CB 3.47Å; R486-A489 PolarHBondContact O-N 3.46Å; R486-A489 VanDerWaalsContact O-N 3.12Å |
| 490 | S | 60.6 | Low | 85.4 | Confident | 80 Ų | 80 | 78.8 Ų | 78.8 | 56% | 0.559 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 2.4 | 172.4 | 50.3 | 0 | 0 | 0 | 0 | 114.2 | R299 E487 R488 | R299-S490 PolarHBondContact NH1-OG 3.13Å; E487-S490 PolarHBondContact O-OG 2.89Å; R488-S490 PolarHBondContact O-N 2.92Å |
| 491 | Q | 48.5 | Very low | 84.6 | Confident | 217 Ų | 217 | 77 Ų | 77 | 100% | 1.014 | 38% | 0.377 | S | S | * | . | trans | -102.4 | 0 | 170.8 | -62.5 | 179.9 | -3.7 | 0 | 0 | 108.7 | R488 | R488-Q491 PolarHBondContact O-N 2.94Å; R488-Q491 VanDerWaalsContact O-N 3.13Å |
Retrieved 491 of 491 residues in 242.1 ms
(Link to these results)