| 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 | 31.8 | Very low | 38.9 | Very low | 235 Ų | 235 | 121.5 Ų | 121.5 | 100% | 1.158 | 59% | 0.591 | S | S | * | * | 0 | 60.3 | 0 | -61.2 | 167.4 | -179.5 | 0 | 0 | 110 | |||||
| 2 | H | 29.5 | Very low | 39.5 | Very low | 167 Ų | 167 | 115.9 Ų | 115.9 | 77% | 0.773 | 58% | 0.579 | S | S | * | * | trans | -107.3 | -8.4 | -172.7 | -86.7 | 113.6 | 0 | 0 | 0 | 115.1 | ||||
| 3 | Y | 33.3 | Very low | 40.5 | Very low | 203 Ų | 203 | 110.8 Ų | 110.8 | 80% | 0.796 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -73.5 | -26.5 | -176 | -71.6 | -77.5 | 0 | 0 | 0 | 114.7 | T5 T7 | Y3-T5 PolarHBondContact O-N 3.5Å; Y3-T7 PolarHBondContact O-N 3.48Å; Y3-T7 PolarHBondContact O-OG1 3.4Å |
| 4 | S | 37 | Very low | 41.5 | Very low | 85 Ų | 85 | 103.8 Ų | 103.8 | 59% | 0.594 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.1 | -31.4 | -169.9 | -167.5 | 0 | 0 | 0 | 0 | 114.4 | T7 R8 | S4-T7 PolarHBondContact O-OG1 2.85Å; S4-R8 VanDerWaalsContact O-CB 3.25Å; S4-R8 WeakPolarHBondContact O-CB 3.39Å; S4-R8 PolarHBondContact O-N 3.37Å |
| 5 | T | 34.7 | Very low | 42.2 | Very low | 79 Ų | 79 | 99.8 Ų | 99.8 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.7 | -50.7 | -178.7 | -40.5 | 0 | 0 | 0 | 0 | 110.8 | Y3 T7 R8 E9 | Y3-T5 PolarHBondContact O-N 3.5Å; T5-T7 VanDerWaalsContact C-N 3.35Å; T5-T7 PolarHBondContact O-N 2.9Å; T5-R8 PolarHBondContact O-N 2.63Å; T5-R8 VanDerWaalsContact O-N 3.09Å; T5-E9 HydrophobicContact CG2-CG 4.44Å; T5-E9 WeakPolarHBondContact O-CB 3.32Å; T5-E9 WeakPolarHBondContact O-CG 3.31Å; T5-E9 PolarHBondContact O-N 3.37Å |
| 6 | V | 37.9 | Very low | 42.4 | Very low | 76 Ų | 76 | 98 Ų | 98 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | -177.9 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | M10 | V6-M10 HydrophobicContact CG1-CE 3.86Å; V6-M10 HydrophobicContact CG1-CG 4.49Å; V6-M10 HydrophobicContact CG1-SD 3.99Å; V6-M10 VanDerWaalsContact O-CB 3.28Å; V6-M10 WeakPolarHBondContact O-CB 3.37Å; V6-M10 VanDerWaalsContact O-CG 3.26Å; V6-M10 WeakPolarHBondContact O-CG 3.5Å; V6-M10 PolarHBondContact O-N 3Å |
| 7 | T | 43.3 | Very low | 42.7 | Very low | 62 Ų | 62 | 93.8 Ų | 93.8 | 38% | 0.38 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 175.9 | 52.8 | 0 | 0 | 0 | 0 | 111.7 | Y3 S4 T5 M10 E11 | Y3-T7 PolarHBondContact O-N 3.48Å; Y3-T7 PolarHBondContact O-OG1 3.4Å; S4-T7 PolarHBondContact O-OG1 2.85Å; T5-T7 VanDerWaalsContact C-N 3.35Å; T5-T7 PolarHBondContact O-N 2.9Å; T7-M10 CarbonylContact O-C 3.56Å; T7-M10 PolarHBondContact O-N 3.45Å; T7-E11 VanDerWaalsContact O-CB 3.31Å; T7-E11 WeakPolarHBondContact O-CB 3.48Å; T7-E11 WeakPolarHBondContact O-CG 3.36Å; T7-E11 PolarHBondContact O-N 3.29Å |
| 8 | R | 42.9 | Very low | 43.2 | Very low | 186 Ų | 186 | 89.3 Ų | 89.3 | 70% | 0.702 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -73.2 | -35.9 | -176.1 | -164 | 177.2 | -165.9 | -178.7 | 3.8 | 113.1 | S4 T5 A12 | S4-R8 VanDerWaalsContact O-CB 3.25Å; S4-R8 WeakPolarHBondContact O-CB 3.39Å; S4-R8 PolarHBondContact O-N 3.37Å; T5-R8 PolarHBondContact O-N 2.63Å; T5-R8 VanDerWaalsContact O-N 3.09Å; R8-A12 WeakPolarHBondContact O-CB 3.21Å; R8-A12 PolarHBondContact O-N 3.39Å; R8-A12 VanDerWaalsContact O-N 3.1Å |
| 9 | E | 42.1 | Very low | 43.3 | Very low | 110 Ų | 110 | 87.9 Ų | 87.9 | 51% | 0.514 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 169.9 | -71.7 | 167.8 | 162.4 | 0 | 0 | 109.6 | T5 E11 A12 F13 | T5-E9 HydrophobicContact CG2-CG 4.44Å; T5-E9 WeakPolarHBondContact O-CB 3.32Å; T5-E9 WeakPolarHBondContact O-CG 3.31Å; T5-E9 PolarHBondContact O-N 3.37Å; E9-E11 PolarHBondContact O-N 3Å; E9-A12 PolarHBondContact O-N 2.85Å; E9-F13 WeakPolarHBondContact O-CB 3.41Å; E9-F13 PolarHBondContact O-N 3.15Å |
| 10 | M | 48.7 | Very low | 43 | Very low | 44 Ų | 44 | 87 Ų | 87 | 22% | 0.217 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -68.2 | -27.1 | 176.4 | -70.6 | -175.8 | 178.3 | 0 | 0 | 114.7 | V6 T7 T14 M147 Y185 V236 | V6-M10 HydrophobicContact CG1-CE 3.86Å; V6-M10 HydrophobicContact CG1-CG 4.49Å; V6-M10 HydrophobicContact CG1-SD 3.99Å; V6-M10 VanDerWaalsContact O-CB 3.28Å; V6-M10 WeakPolarHBondContact O-CB 3.37Å; V6-M10 VanDerWaalsContact O-CG 3.26Å; V6-M10 WeakPolarHBondContact O-CG 3.5Å; V6-M10 PolarHBondContact O-N 3Å; T7-M10 CarbonylContact O-C 3.56Å; T7-M10 PolarHBondContact O-N 3.45Å; M10-T14 WeakPolarHBondContact O-CB 3.37Å; M10-T14 VanDerWaalsContact O-CG2 3.25Å; M10-T14 WeakPolarHBondContact O-CG2 3.04Å; M10-T14 PolarHBondContact O-N 3.14Å; M10-T14 PolarHBondContact O-OG1 2.9Å; M10-M147 HydrophobicContact CB-CE 4.37Å; M10-M147 HydrophobicContact SD-CE 3.8Å; M10-M147 HydrophobicContact SD-SD 4.38Å; M10-Y185 PolarHBondContact O-OH 3.41Å; M10-V236 HydrophobicContact CE-CG1 4.37Å |
| 11 | E | 46.8 | Very low | 42.9 | Very low | 90 Ų | 90 | 86.7 Ų | 86.7 | 42% | 0.421 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.3 | -50 | 172.2 | -82.8 | 169.6 | 169.6 | 0 | 0 | 110.6 | T7 E9 F13 T14 T15 Y185 | T7-E11 VanDerWaalsContact O-CB 3.31Å; T7-E11 WeakPolarHBondContact O-CB 3.48Å; T7-E11 WeakPolarHBondContact O-CG 3.36Å; T7-E11 PolarHBondContact O-N 3.29Å; E9-E11 PolarHBondContact O-N 3Å; E11-F13 VanDerWaalsContact C-N 3.29Å; E11-F13 PolarHBondContact O-N 3.39Å; E11-T14 PolarHBondContact O-OG1 2.83Å; E11-T15 WeakPolarHBondContact O-CB 3.43Å; E11-T15 WeakPolarHBondContact O-CG2 3.44Å; E11-T15 PolarHBondContact O-N 2.67Å; E11-T15 PolarHBondContact O-OG1 3.12Å; E11-Y185 HydrophobicContact CG-CE2 3.73Å |
| 12 | A | 46.5 | Very low | 43.1 | Very low | 54 Ų | 54 | 78.3 Ų | 78.3 | 45% | 0.446 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | R8 E9 T15 S16 | R8-A12 WeakPolarHBondContact O-CB 3.21Å; R8-A12 PolarHBondContact O-N 3.39Å; R8-A12 VanDerWaalsContact O-N 3.1Å; E9-A12 PolarHBondContact O-N 2.85Å; A12-T15 PolarHBondContact O-OG1 2.73Å; A12-T15 VanDerWaalsContact O-OG1 3.08Å; A12-S16 VanDerWaalsContact O-CB 3.25Å; A12-S16 WeakPolarHBondContact O-CB 3.18Å; A12-S16 PolarHBondContact O-N 2.79Å; A12-S16 PolarHBondContact O-OG 3.18Å |
| 13 | F | 51.7 | Low | 43 | Very low | 49 Ų | 49 | 74.4 Ų | 74.4 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.8 | -55.5 | 177.6 | -176.4 | -80.9 | 0 | 0 | 0 | 112 | E9 E11 T15 S16 S17 E243 A246 | E9-F13 WeakPolarHBondContact O-CB 3.41Å; E9-F13 PolarHBondContact O-N 3.15Å; E11-F13 VanDerWaalsContact C-N 3.29Å; E11-F13 PolarHBondContact O-N 3.39Å; F13-T15 VanDerWaalsContact C-N 3.34Å; F13-T15 PolarHBondContact O-N 3.12Å; F13-S16 CarbonylContact O-C 3.53Å; F13-S16 WeakPolarHBondContact O-CB 3.48Å; F13-S16 PolarHBondContact O-N 2.88Å; F13-S16 VanDerWaalsContact O-N 3.09Å; F13-S17 WeakPolarHBondContact CE1-OG 3.26Å; F13-S17 WeakPolarHBondContact CZ-OG 3.31Å; F13-S17 PolarHBondContact O-N 3.15Å; F13-S17 PolarHBondContact O-OG 2.98Å; F13-E243 HydrophobicContact CD2-CB 4.18Å; F13-E243 HydrophobicContact CD2-CG 3.9Å; F13-E243 HydrophobicContact CE2-CB 3.75Å; F13-E243 HydrophobicContact CE2-CG 4Å; F13-E243 HydrophobicContact CZ-CB 4.42Å; F13-A246 HydrophobicContact CD1-CB 4.47Å; F13-A246 HydrophobicContact CE1-CB 3.24Å; F13-A246 HydrophobicContact CE2-CB 4.43Å; F13-A246 HydrophobicContact CZ-CB 3.21Å |
| 14 | T | 54.9 | Low | 42.9 | Very low | 13 Ų | 13 | 70.5 Ų | 70.5 | 8% | 0.08 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.9 | -37.3 | -177.2 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | M10 E11 L18 L149 Y185 | M10-T14 WeakPolarHBondContact O-CB 3.37Å; M10-T14 VanDerWaalsContact O-CG2 3.25Å; M10-T14 WeakPolarHBondContact O-CG2 3.04Å; M10-T14 PolarHBondContact O-N 3.14Å; M10-T14 PolarHBondContact O-OG1 2.9Å; E11-T14 PolarHBondContact O-OG1 2.83Å; T14-L18 WeakPolarHBondContact O-CB 3.16Å; T14-L18 VanDerWaalsContact O-CG 3.24Å; T14-L18 WeakPolarHBondContact O-CG 3.47Å; T14-L18 PolarHBondContact O-N 3.34Å; T14-L149 HydrophobicContact CG2-CD2 4.42Å; T14-Y185 PolarHBondContact OG1-OH 3.38Å |
| 15 | T | 51.5 | Low | 42.8 | Very low | 44 Ų | 44 | 70.1 Ų | 70.1 | 27% | 0.27 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 172.4 | 51.3 | 0 | 0 | 0 | 0 | 111.3 | E11 A12 F13 S19 V183 | E11-T15 WeakPolarHBondContact O-CB 3.43Å; E11-T15 WeakPolarHBondContact O-CG2 3.44Å; E11-T15 PolarHBondContact O-N 2.67Å; E11-T15 PolarHBondContact O-OG1 3.12Å; A12-T15 PolarHBondContact O-OG1 2.73Å; A12-T15 VanDerWaalsContact O-OG1 3.08Å; F13-T15 VanDerWaalsContact C-N 3.34Å; F13-T15 PolarHBondContact O-N 3.12Å; T15-S19 WeakPolarHBondContact O-CB 3.38Å; T15-S19 PolarHBondContact O-N 2.88Å; T15-S19 PolarHBondContact O-OG 3.14Å; T15-V183 HydrophobicContact CG2-CG1 4.26Å; T15-V183 HydrophobicContact CG2-CG2 3.83Å |
| 16 | S | 45.8 | Very low | 42.4 | Very low | 71 Ų | 71 | 69.7 Ų | 69.7 | 50% | 0.497 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.3 | -49.1 | 175.4 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | A12 F13 S19 S20 | A12-S16 VanDerWaalsContact O-CB 3.25Å; A12-S16 WeakPolarHBondContact O-CB 3.18Å; A12-S16 PolarHBondContact O-N 2.79Å; A12-S16 PolarHBondContact O-OG 3.18Å; F13-S16 CarbonylContact O-C 3.53Å; F13-S16 WeakPolarHBondContact O-CB 3.48Å; F13-S16 PolarHBondContact O-N 2.88Å; F13-S16 VanDerWaalsContact O-N 3.09Å; S16-S19 PolarHBondContact O-N 2.99Å; S16-S19 PolarHBondContact O-OG 3.48Å; S16-S19 VanDerWaalsContact O-OG 3.12Å; S16-S20 WeakPolarHBondContact O-CB 3.17Å; S16-S20 PolarHBondContact O-N 2.87Å; S16-S20 PolarHBondContact O-OG 2.98Å |
| 17 | S | 47.3 | Very low | 42 | Very low | 26 Ų | 26 | 76.4 Ų | 76.4 | 18% | 0.182 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -71.5 | -35.9 | -178.9 | -60.5 | 0 | 0 | 0 | 0 | 113.6 | F13 S20 L21 | F13-S17 WeakPolarHBondContact CE1-OG 3.26Å; F13-S17 WeakPolarHBondContact CZ-OG 3.31Å; F13-S17 PolarHBondContact O-N 3.15Å; F13-S17 PolarHBondContact O-OG 2.98Å; S17-S20 PolarHBondContact O-OG 3.25Å; S17-S20 VanDerWaalsContact O-OG 3.12Å; S17-L21 WeakPolarHBondContact O-CB 3.36Å; S17-L21 WeakPolarHBondContact O-CD1 3.35Å; S17-L21 VanDerWaalsContact O-CG 3.23Å; S17-L21 WeakPolarHBondContact O-CG 3.45Å; S17-L21 PolarHBondContact O-N 3.25Å |
| 18 | L | 52 | Low | 41.2 | Very low | 14 Ų | 14 | 81.9 Ų | 81.9 | 7% | 0.073 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -74.2 | -32.2 | 175.2 | -66.5 | 172.4 | 0 | 0 | 0 | 111.4 | T14 N22 L149 V183 Y250 | T14-L18 WeakPolarHBondContact O-CB 3.16Å; T14-L18 VanDerWaalsContact O-CG 3.24Å; T14-L18 WeakPolarHBondContact O-CG 3.47Å; T14-L18 PolarHBondContact O-N 3.34Å; L18-N22 WeakPolarHBondContact O-CB 3.44Å; L18-N22 PolarHBondContact O-N 2.91Å; L18-N22 PolarHBondContact O-ND2 2.9Å; L18-N22 VanDerWaalsContact O-ND2 3.08Å; L18-N22 PolarHBondContact O-OD1 2.85Å; L18-L149 HydrophobicContact CD1-CD1 3.95Å; L18-V183 HydrophobicContact CD1-CG1 4.07Å; L18-Y250 HydrophobicContact CD2-CE2 4.44Å |
| 19 | S | 44.8 | Very low | 40.6 | Very low | 62 Ų | 62 | 80.6 Ų | 80.6 | 43% | 0.434 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -76.9 | -37.8 | 176.6 | 63.6 | 0 | 0 | 0 | 0 | 113.5 | T15 S16 L21 N22 | T15-S19 WeakPolarHBondContact O-CB 3.38Å; T15-S19 PolarHBondContact O-N 2.88Å; T15-S19 PolarHBondContact O-OG 3.14Å; S16-S19 PolarHBondContact O-N 2.99Å; S16-S19 PolarHBondContact O-OG 3.48Å; S16-S19 VanDerWaalsContact O-OG 3.12Å; S19-L21 VanDerWaalsContact C-N 3.32Å; S19-L21 PolarHBondContact O-N 3.31Å; S19-N22 PolarHBondContact O-N 2.93Å; S19-N22 VanDerWaalsContact O-N 3.07Å |
| 20 | S | 37 | Very low | 39.9 | Very low | 70 Ų | 70 | 80.2 Ų | 80.2 | 49% | 0.49 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 174.2 | 63.9 | 0 | 0 | 0 | 0 | 111.5 | S16 S17 N22 S23 | S16-S20 WeakPolarHBondContact O-CB 3.17Å; S16-S20 PolarHBondContact O-N 2.87Å; S16-S20 PolarHBondContact O-OG 2.98Å; S17-S20 PolarHBondContact O-OG 3.25Å; S17-S20 VanDerWaalsContact O-OG 3.12Å; S20-N22 VanDerWaalsContact C-N 3.27Å; S20-N22 PolarHBondContact O-N 2.69Å; S20-S23 PolarHBondContact O-N 2.91Å |
| 21 | L | 40.9 | Very low | 38.9 | Very low | 81 Ų | 81 | 87 Ų | 87 | 42% | 0.424 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -15 | 174.5 | -67.5 | 173.2 | 0 | 0 | 0 | 114.5 | S17 S19 Y250 | S17-L21 WeakPolarHBondContact O-CB 3.36Å; S17-L21 WeakPolarHBondContact O-CD1 3.35Å; S17-L21 VanDerWaalsContact O-CG 3.23Å; S17-L21 WeakPolarHBondContact O-CG 3.45Å; S17-L21 PolarHBondContact O-N 3.25Å; S19-L21 VanDerWaalsContact C-N 3.32Å; S19-L21 PolarHBondContact O-N 3.31Å; L21-Y250 HydrophobicContact CD1-CE1 4.2Å; L21-Y250 VanDerWaalsContact CD1-OH 3.3Å; L21-Y250 WeakPolarHBondContact CD1-OH 3.42Å |
| 22 | N | 36.6 | Very low | 38 | Very low | 58 Ų | 58 | 88.4 Ų | 88.4 | 31% | 0.31 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -1.9 | 176.7 | -72.7 | -14.9 | 0 | 0 | 0 | 113.3 | L18 S19 S20 P24 L153 R230 | L18-N22 WeakPolarHBondContact O-CB 3.44Å; L18-N22 PolarHBondContact O-N 2.91Å; L18-N22 PolarHBondContact O-ND2 2.9Å; L18-N22 VanDerWaalsContact O-ND2 3.08Å; L18-N22 PolarHBondContact O-OD1 2.85Å; S19-N22 PolarHBondContact O-N 2.93Å; S19-N22 VanDerWaalsContact O-N 3.07Å; S20-N22 VanDerWaalsContact C-N 3.27Å; S20-N22 PolarHBondContact O-N 2.69Å; N22-P24 WeakPolarHBondContact O-CD 3.46Å; N22-L153 HydrophobicContact CB-CD2 4.44Å; N22-L153 VanDerWaalsContact ND2-CD2 3.32Å; N22-L153 WeakPolarHBondContact ND2-CD2 3Å; N22-R230 PolarHBondContact ND2-NH2 3.33Å; N22-R230 VanDerWaalsContact OD1-CZ 3.27Å; N22-R230 PolarHBondContact OD1-NH1 2.88Å; N22-R230 PolarHBondContact OD1-NH2 3.43Å |
| 23 | S | 26.8 | Very low | 37.6 | Very low | 86 Ų | 86 | 91.9 Ų | 91.9 | 60% | 0.601 | 55% | 0.553 | S | S | * | * | trans | -77.6 | 120.1 | -178.3 | -63.7 | 0 | 0 | 0 | 0 | 111.7 | S20 | S20-S23 PolarHBondContact O-N 2.91Š| ||
| 24 | P | 32.5 | Very low | 36.5 | Very low | 121 Ų | 121 | 92.9 Ų | 92.9 | 79% | 0.786 | 58% | 0.578 | S | S | * | * | trans | -62.3 | 143.5 | 164.1 | -15.3 | 30.7 | 0 | 0 | 0 | 109.1 | N22 G26 | N22-P24 WeakPolarHBondContact O-CD 3.46Å; P24-G26 VanDerWaalsContact C-N 3.35Å; P24-G26 PolarHBondContact O-N 2.92Å | ||
| 25 | G | 34.6 | Very low | 35.3 | Very low | 76 Ų | 76 | 100.1 Ų | 100.1 | 78% | 0.784 | 62% | 0.616 | S | S | * | * | trans | -67 | 80.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 26 | G | 26.7 | Very low | 34.8 | Very low | 70 Ų | 70 | 102.7 Ų | 102.7 | 72% | 0.722 | 63% | 0.633 | S | S | * | * | trans | -87.5 | 106.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P24 H28 | P24-G26 VanDerWaalsContact C-N 3.35Å; P24-G26 PolarHBondContact O-N 2.92Å; G26-H28 PolarHBondContact O-N 3Å; G26-H28 VanDerWaalsContact O-N 3.11Å | ||
| 27 | Y | 28.4 | Very low | 34 | Very low | 217 Ų | 217 | 109.6 Ų | 109.6 | 85% | 0.851 | 65% | 0.65 | S | S | * | * | trans | -69.8 | 104.9 | 180 | -70.5 | -87.8 | 0 | 0 | 0 | 111.6 | L29 | Y27-L29 VanDerWaalsContact C-N 3.35Å; Y27-L29 PolarHBondContact O-N 3.04Å | ||
| 28 | H | 26.2 | Very low | 33.3 | Very low | 178 Ų | 178 | 114.3 Ų | 114.3 | 82% | 0.824 | 68% | 0.683 | S | S | * | * | trans | -79.2 | 80.1 | 173.7 | -174.4 | -73.4 | 0 | 0 | 0 | 111 | G26 S30 | G26-H28 PolarHBondContact O-N 3Å; G26-H28 VanDerWaalsContact O-N 3.11Å; H28-S30 PolarHBondContact O-N 2.86Å | ||
| 29 | L | 30.1 | Very low | 32.3 | Very low | 159 Ų | 159 | 122.8 Ų | 122.8 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | trans | -75.4 | 115.4 | 168.1 | -78.1 | 167.8 | 0 | 0 | 0 | 109.9 | Y27 | Y27-L29 VanDerWaalsContact C-N 3.35Å; Y27-L29 PolarHBondContact O-N 3.04Å | ||
| 30 | S | 28.6 | Very low | 31.7 | Very low | 102 Ų | 102 | 128.8 Ų | 128.8 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | trans | -69.9 | 128.8 | 176 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | H28 | H28-S30 PolarHBondContact O-N 2.86Š| ||
| 31 | Q | 26.3 | Very low | 31.3 | Very low | 186 Ų | 186 | 132.8 Ų | 132.8 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | trans | -86.7 | 142.9 | 171.2 | -68.2 | -176.6 | -9.6 | 0 | 0 | 111.6 | ||||
| 32 | S | 27.9 | Very low | 30.9 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -159.7 | 155.2 | 166.4 | -85.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 33 | P | 38.3 | Very low | 30.4 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | -126.4 | 158.4 | -122 | 37.3 | -24.8 | 0 | 0 | 0 | 117.3 | |||||
| 34 | G | 29.5 | Very low | 30.6 | Very low | 71 Ų | 71 | 144.9 Ų | 144.9 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | 75.2 | 132.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 35 | D | 30.2 | Very low | 30.7 | Very low | 164 Ų | 164 | 147.8 Ų | 147.8 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | cis | -159.8 | -178.6 | 41 | -111.5 | -6 | 0 | 0 | 0 | 112.4 | ||||
| 36 | P | 41.1 | Very low | 30.9 | Very low | 98 Ų | 98 | 149.7 Ų | 149.7 | 64% | 0.636 | 81% | 0.808 | S | S | * | * | trans | -102.9 | -177.9 | -153.3 | 39.2 | -38 | 0 | 0 | 0 | 117.8 | ||||
| 37 | Y | 29.1 | Very low | 31 | Very low | 217 Ų | 217 | 152.5 Ų | 152.5 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | 77.4 | 105 | 174.8 | -69.5 | -82.1 | 0 | 0 | 0 | 118.6 | ||||
| 38 | S | 31.3 | Very low | 31.8 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | -163.4 | 142.2 | 109.8 | -79.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 39 | Q | 31.4 | Very low | 32 | Very low | 192 Ų | 192 | 144.7 Ų | 144.7 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | trans | -87.8 | 136.9 | 167.2 | -67.1 | 172.5 | -58.5 | 0 | 0 | 109.2 | ||||
| 40 | H | 32.8 | Very low | 32.2 | Very low | 188 Ų | 188 | 142 Ų | 142 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | trans | -155.3 | 138.4 | 147.5 | -139.7 | -79 | 0 | 0 | 0 | 111.6 | ||||
| 41 | E | 28.6 | Very low | 32.2 | Very low | 154 Ų | 154 | 145.9 Ų | 145.9 | 72% | 0.72 | 82% | 0.823 | S | S | * | * | trans | -78.5 | 151.7 | 168.9 | -69.9 | 173.5 | 67.4 | 0 | 0 | 111.4 | ||||
| 42 | S | 31 | Very low | 32.6 | Very low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | -150.1 | 96.2 | 150.9 | 46 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 43 | H | 28 | Very low | 32.6 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 76% | 0.759 | 82% | 0.821 | S | S | * | * | trans | -58.8 | 143.6 | 163 | -95.7 | -107.1 | 0 | 0 | 0 | 110.5 | ||||
| 44 | F | 31.1 | Very low | 32.1 | Very low | 201 Ų | 201 | 151.3 Ų | 151.3 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | trans | -146.3 | 129.2 | 159.5 | -112 | -82.1 | 0 | 0 | 0 | 111.1 | ||||
| 45 | E | 33.3 | Very low | 32 | Very low | 182 Ų | 182 | 155.7 Ų | 155.7 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | trans | -85.1 | 157.4 | 172.8 | -89.5 | -173.3 | 97.6 | 0 | 0 | 112.2 | ||||
| 46 | P | 38.4 | Very low | 32.1 | Very low | 116 Ų | 116 | 157.8 Ų | 157.8 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | -82.2 | 152.4 | 175.6 | 34.7 | -34.7 | 0 | 0 | 0 | 112.3 | ||||
| 47 | C | 28.8 | Very low | 32.3 | Very low | 128 Ų | 128 | 159 Ų | 159 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | trans | -130.3 | 154.9 | 166.8 | -92 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 48 | P | 45.2 | Very low | 32.3 | Very low | 127 Ų | 127 | 152.3 Ų | 152.3 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | -96.2 | 173.8 | -150.9 | 37.2 | -37.7 | 0 | 0 | 0 | 115.6 | ||||
| 49 | A | 30.8 | Very low | 32.3 | Very low | 104 Ų | 104 | 151.6 Ų | 151.6 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -73.5 | 155.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 50 | A | 33.6 | Very low | 32.6 | Very low | 103 Ų | 103 | 149.4 Ų | 149.4 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -124.7 | 144.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 51 | Q | 30.4 | Very low | 33.4 | Very low | 183 Ų | 183 | 146 Ų | 146 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | -98.7 | 138.1 | 178.7 | -57.2 | 166.3 | -58.8 | 0 | 0 | 110.3 | ||||
| 52 | H | 33.1 | Very low | 33.4 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | trans | -166.2 | 113.8 | 143.6 | -86.7 | -55.5 | 0 | 0 | 0 | 106.8 | ||||
| 53 | N | 27.8 | Very low | 33.5 | Very low | 146 Ų | 146 | 146.3 Ų | 146.3 | 78% | 0.781 | 82% | 0.823 | S | S | * | * | 95 | 129.3 | 66.4 | -167.9 | 54.5 | 0 | 0 | 0 | 111.7 | |||||
| 54 | Y | 28.4 | Very low | 33.6 | Very low | 211 Ų | 211 | 143.8 Ų | 143.8 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | trans | -76.5 | 155.9 | -171 | -76.5 | -98.2 | 0 | 0 | 0 | 113.1 | ||||
| 55 | N | 28.6 | Very low | 33.6 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | trans | -148.3 | 140 | 153.6 | -146 | 9.1 | 0 | 0 | 0 | 112 | ||||
| 56 | Y | 32.4 | Very low | 33.5 | Very low | 209 Ų | 209 | 139 Ų | 139 | 82% | 0.82 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 142.4 | 177.4 | -98 | -97.2 | 0 | 0 | 0 | 110.2 | ||
| 57 | P | 43.9 | Very low | 33.4 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 79% | 0.792 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -89 | 137.8 | 160.7 | 33.6 | -29.8 | 0 | 0 | 0 | 111.2 | ||
| 58 | G | 29.6 | Very low | 33.6 | Very low | 77 Ų | 77 | 140.8 Ų | 140.8 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 172.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 59 | S | 31.4 | Very low | 33 | Very low | 110 Ų | 110 | 140 Ų | 140 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -79.2 | 178.2 | 170.7 | 58.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 60 | N | 36.8 | Very low | 33.1 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 78% | 0.781 | 83% | 0.826 | S | S | * | * | cis | -152.1 | -157 | 22.9 | -141 | 1.9 | 0 | 0 | 0 | 110.8 | ||||
| 61 | P | 49.3 | Very low | 33 | Very low | 117 Ų | 117 | 142 Ų | 142 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -119.6 | 177.6 | -143.2 | 35.8 | -14.1 | 0 | 0 | 0 | 116.3 | ||||
| 62 | G | 29.7 | Very low | 32.9 | Very low | 77 Ų | 77 | 137.3 Ų | 137.3 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | -144.9 | 150.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 63 | Q | 32.3 | Very low | 33.1 | Very low | 198 Ų | 198 | 135 Ų | 135 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -111.8 | 145.8 | -174.2 | -59.9 | 171.4 | -17.2 | 0 | 0 | 111.6 | ||||
| 64 | S | 31.1 | Very low | 34.1 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | 170.8 | 124.4 | 116.7 | 58.3 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 65 | Q | 31.7 | Very low | 34.3 | Very low | 201 Ų | 201 | 130.8 Ų | 130.8 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | trans | 23.3 | 135 | 141.8 | -59.7 | 174.4 | -11.6 | 0 | 0 | 122.2 | ||||
| 66 | G | 30.8 | Very low | 34.3 | Very low | 82 Ų | 82 | 127.8 Ų | 127.8 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -178.8 | 122.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 67 | Q | 35 | Very low | 34.2 | Very low | 202 Ų | 202 | 123.5 Ų | 123.5 | 94% | 0.944 | 81% | 0.812 | S | S | * | * | trans | -88.8 | 169.5 | 176.9 | -72 | 164.8 | -27.9 | 0 | 0 | 111.8 | ||||
| 68 | A | 33.3 | Very low | 33.6 | Very low | 79 Ų | 79 | 123.7 Ų | 123.7 | 65% | 0.653 | 82% | 0.816 | S | S | * | * | cis | -175.1 | 167.4 | -26.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 69 | S | 33.5 | Very low | 33.8 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | 67.8 | 145.8 | 155 | 46.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 70 | D | 31.7 | Very low | 33.9 | Very low | 172 Ų | 172 | 126 Ų | 126 | 92% | 0.92 | 82% | 0.82 | S | S | * | * | trans | 55.3 | 147.5 | 167.5 | -74 | 6.6 | 0 | 0 | 0 | 120.9 | ||||
| 71 | G | 31.8 | Very low | 33.9 | Very low | 76 Ų | 76 | 124.9 Ų | 124.9 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | cis | 160.4 | 119.7 | -8.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 72 | G | 29.5 | Very low | 33.1 | Very low | 84 Ų | 84 | 124.6 Ų | 124.6 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | trans | 152.2 | 115.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 73 | T | 36.7 | Very low | 33.4 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | trans | -91.8 | 167.1 | 156.2 | 40.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 74 | P | 49 | Very low | 33.5 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 71% | 0.714 | 82% | 0.82 | S | S | * | * | cis | -147.9 | 172.7 | 30.2 | 43.4 | -23.9 | 0 | 0 | 0 | 119.2 | ||||
| 75 | N | 33 | Very low | 34.2 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | 58.7 | 151.1 | 152.9 | -86.6 | -2.5 | 0 | 0 | 0 | 120 | ||||
| 76 | C | 26.9 | Very low | 34.8 | Very low | 100 Ų | 100 | 121.8 Ų | 121.8 | 68% | 0.676 | 82% | 0.816 | S | S | * | * | cis | -158.5 | 166.3 | -7.5 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 77 | S | 32 | Very low | 35.1 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | 49.5 | 101 | 149 | -57.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 78 | S | 30.9 | Very low | 35.5 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | trans | -148.3 | 141 | 141.5 | 61.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 79 | S | 34.1 | Very low | 36.1 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -89.5 | 139.7 | -177.3 | 46.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 80 | S | 32.9 | Very low | 37.2 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | trans | -146.3 | 112.7 | 160.5 | 60.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 81 | S | 35.8 | Very low | 38.5 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -79.2 | 123 | 176.1 | 52 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 82 | S | 33.7 | Very low | 40.4 | Very low | 111 Ų | 111 | 126.3 Ų | 126.3 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -124.9 | 101 | 166 | 44.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 83 | S | 35.1 | Very low | 42.6 | Very low | 118 Ų | 118 | 126 Ų | 126 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | -91 | 102.4 | -174.8 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 84 | T | 35 | Very low | 44.6 | Very low | 130 Ų | 130 | 120.5 Ų | 120.5 | 80% | 0.798 | 73% | 0.73 | S | S | * | * | trans | -108.5 | 117.2 | 167.4 | 52.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 85 | P | 46.5 | Very low | 46.2 | Very low | 118 Ų | 118 | 120 Ų | 120 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | trans | -79.9 | 157.8 | -176.9 | 31.8 | -34.9 | 0 | 0 | 0 | 113.4 | ||||
| 86 | N | 42.7 | Very low | 48.5 | Very low | 161 Ų | 161 | 116.3 Ų | 116.3 | 86% | 0.861 | 70% | 0.703 | S | S | * | * | trans | 60.7 | 61.2 | 170.1 | -75.8 | -3.9 | 0 | 0 | 0 | 117.8 | ||||
| 87 | S | 38.3 | Very low | 51.4 | Low | 114 Ų | 114 | 111.5 Ų | 111.5 | 80% | 0.797 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -82 | 128.2 | 131 | 59.4 | 0 | 0 | 0 | 0 | 108.5 | S89 | S87-S89 PolarHBondContact O-N 3.18Š|
| 88 | K | 43.8 | Very low | 54 | Low | 199 Ų | 199 | 107.7 Ų | 107.7 | 87% | 0.865 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 123.3 | 165.9 | -71 | -176.6 | 178.2 | -177.8 | 0 | 107 | I90 | K88-I90 PolarHBondContact O-N 3.3Š|
| 89 | S | 46 | Very low | 56.8 | Low | 104 Ų | 104 | 107.8 Ų | 107.8 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 124.8 | 174.1 | 39.8 | 0 | 0 | 0 | 0 | 109.4 | S87 V91 | S87-S89 PolarHBondContact O-N 3.18Å; S89-V91 VanDerWaalsContact C-N 3.33Å; S89-V91 PolarHBondContact O-N 2.91Å |
| 90 | I | 55.8 | Low | 59.7 | Low | 164 Ų | 164 | 102 Ų | 102 | 84% | 0.841 | 60% | 0.596 | S | S | * | * | trans | -73.7 | 93.9 | 174.4 | -59.4 | 177.1 | 0 | 0 | 0 | 106.9 | K88 K92 | K88-I90 PolarHBondContact O-N 3.3Å; I90-K92 PolarHBondContact O-N 2.67Å; I90-K92 VanDerWaalsContact O-N 3.11Å | ||
| 91 | V | 58.8 | Low | 62.7 | Low | 64 Ų | 64 | 99.9 Ų | 99.9 | 39% | 0.388 | 58% | 0.582 | S | S | . | * | trans | -53.2 | 116.1 | 175 | 174.6 | 0 | 0 | 0 | 0 | 108.5 | S89 K93 E248 | S89-V91 VanDerWaalsContact C-N 3.33Å; S89-V91 PolarHBondContact O-N 2.91Å; V91-K93 PolarHBondContact O-N 2.76Å; V91-E248 HydrophobicContact CG1-CG 3.59Å | ||
| 92 | K | 71.8 | Confident | 65.7 | Low | 173 Ų | 173 | 95 Ų | 95 | 75% | 0.752 | 55% | 0.546 | S | S | * | . | trans | -81.3 | 87.4 | -167.4 | -174.3 | -179.4 | 177.5 | 179.7 | 0 | 109.4 | I90 N94 | I90-K92 PolarHBondContact O-N 2.67Å; I90-K92 VanDerWaalsContact O-N 3.11Å; K92-N94 PolarHBondContact O-N 3.49Å | ||
| 93 | K | 76.3 | Confident | 68.7 | Low | 76 Ų | 76 | 94.3 Ų | 94.3 | 33% | 0.33 | 53% | 0.531 | S | S | . | . | trans | -45.6 | 139.4 | -179.7 | -70.9 | -166.8 | 172.5 | -73.7 | 0 | 112.7 | V91 V97 E247 Y250 | V91-K93 PolarHBondContact O-N 2.76Å; K93-V97 HydrophobicContact CB-CG2 4.46Å; K93-E247 PolarHBondContact NZ-O 2.76Å; K93-E247 VanDerWaalsContact NZ-O 3.11Å; K93-Y250 PolarHBondContact NZ-O 2.86Å | ||
| 94 | N | 78.4 | Confident | 71.8 | Confident | 26 Ų | 26 | 89.2 Ų | 89.2 | 14% | 0.139 | 49% | 0.494 | C | S | . | . | trans | -54.5 | 130.7 | -176.7 | 179.9 | -26.6 | 0 | 0 | 0 | 109.5 | K92 K96 V97 A98 Y235 E248 N249 | K92-N94 PolarHBondContact O-N 3.49Å; N94-K96 PolarHBondContact O-N 3.47Å; N94-K96 WeakPolarHBondContact OD1-CB 3.36Å; N94-K96 WeakPolarHBondContact OD1-CG 3.24Å; N94-K96 PolarHBondContact OD1-N 3.32Å; N94-V97 HydrophobicContact CB-CG2 4.33Å; N94-V97 WeakPolarHBondContact O-CG2 3.42Å; N94-V97 PolarHBondContact O-N 2.97Å; N94-A98 PolarHBondContact O-N 2.85Å; N94-Y235 WeakPolarHBondContact ND2-CD1 3.37Å; N94-E248 HydrophobicContact CB-CB 4.36Å; N94-E248 WeakPolarHBondContact CB-O 3.29Å; N94-E248 PolarHBondContact N-O 3.19Å; N94-N249 PolarHBondContact ND2-OD1 2.67Å | ||
| 95 | P | 82 | Confident | 74.8 | Confident | 100 Ų | 100 | 84.9 Ų | 84.9 | 65% | 0.649 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -50.3 | -28.4 | 177.4 | -30.1 | 36.3 | 0 | 0 | 0 | 114.5 | V97 | P95-V97 VanDerWaalsContact C-N 3.25Å; P95-V97 PolarHBondContact O-N 2.92Å |
| 96 | K | 82.7 | Confident | 77.1 | Confident | 81 Ų | 81 | 82.9 Ų | 82.9 | 35% | 0.352 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.8 | -18.1 | 175.9 | -59.8 | -65 | -177 | 179.3 | 0 | 114.3 | N94 I100 D141 Y146 Y235 | N94-K96 PolarHBondContact O-N 3.47Å; N94-K96 WeakPolarHBondContact OD1-CB 3.36Å; N94-K96 WeakPolarHBondContact OD1-CG 3.24Å; N94-K96 PolarHBondContact OD1-N 3.32Å; K96-I100 WeakPolarHBondContact O-CD1 3.37Å; K96-D141 HydrophobicContact CD-CB 4.05Å; K96-D141 WeakPolarHBondContact CE-OD2 3.46Å; K96-D141 IonicContact NZ-OD2 2.63Å; K96-D141 PolarHBondContact NZ-OD2 2.88Å; K96-Y146 WeakPolarHBondContact O-CE1 3.49Å; K96-Y146 PolarHBondContact O-OH 3.25Å; K96-Y235 HydrophobicContact CB-CD1 4.38Å; K96-Y235 HydrophobicContact CB-CD2 3.95Å; K96-Y235 HydrophobicContact CB-CE2 4.29Å; K96-Y235 HydrophobicContact CB-CG 4Å; K96-Y235 HydrophobicContact CG-CD2 4.28Å; K96-Y235 HydrophobicContact CG-CE1 4.47Å; K96-Y235 HydrophobicContact CG-CE2 4.1Å |
| 97 | V | 86.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -116.7 | -23 | 173.1 | -62.1 | 0 | 0 | 0 | 0 | 114 | K93 N94 P95 N99 I100 Y146 E248 N249 K251 | K93-V97 HydrophobicContact CB-CG2 4.46Å; N94-V97 HydrophobicContact CB-CG2 4.33Å; N94-V97 WeakPolarHBondContact O-CG2 3.42Å; N94-V97 PolarHBondContact O-N 2.97Å; P95-V97 VanDerWaalsContact C-N 3.25Å; P95-V97 PolarHBondContact O-N 2.92Å; V97-N99 VanDerWaalsContact C-N 3.31Å; V97-N99 PolarHBondContact O-N 3.34Å; V97-I100 HydrophobicContact CB-CD1 4.3Å; V97-I100 HydrophobicContact CG1-CD1 4.22Å; V97-I100 PolarHBondContact O-N 3.31Å; V97-Y146 HydrophobicContact CG1-CE1 4.15Å; V97-E248 WeakPolarHBondContact CG2-O 3.47Å; V97-N249 WeakPolarHBondContact CG1-O 3.35Å; V97-K251 HydrophobicContact CB-CB 4.15Å; V97-K251 HydrophobicContact CG2-CB 4.48Å; V97-K251 WeakPolarHBondContact O-CD 3.36Å |
| 98 | A | 86 | Confident | 82.5 | Confident | 38 Ų | 38 | 77.4 Ų | 77.4 | 31% | 0.314 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -52 | -47.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N94 I100 K251 | N94-A98 PolarHBondContact O-N 2.85Å; A98-I100 PolarHBondContact O-N 2.77Å; A98-K251 PolarHBondContact O-NZ 2.8Å |
| 99 | N | 89.6 | Confident | 85.1 | Confident | 128 Ų | 128 | 69.4 Ų | 69.4 | 68% | 0.684 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 1.8 | -174.1 | -64.2 | -10.7 | 0 | 0 | 0 | 114.6 | V97 S101 | V97-N99 VanDerWaalsContact C-N 3.31Å; V97-N99 PolarHBondContact O-N 3.34Å; N99-S101 PolarHBondContact O-N 3.02Å |
| 100 | I | 95.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -71.6 | 130.9 | -179.3 | -61 | -179.5 | 0 | 0 | 0 | 110.1 | K96 V97 A98 V102 I137 F138 M140 Y146 V233 K251 F253 | K96-I100 WeakPolarHBondContact O-CD1 3.37Å; V97-I100 HydrophobicContact CB-CD1 4.3Å; V97-I100 HydrophobicContact CG1-CD1 4.22Å; V97-I100 PolarHBondContact O-N 3.31Å; A98-I100 PolarHBondContact O-N 2.77Å; I100-V102 HydrophobicContact CG2-CG2 4.34Å; I100-I137 HydrophobicContact CG2-CG2 3.73Å; I100-F138 WeakPolarHBondContact CA-O 3.47Å; I100-M140 HydrophobicContact CD1-CB 4.38Å; I100-M140 HydrophobicContact CD1-CE 4.27Å; I100-M140 HydrophobicContact CD1-CG 3.99Å; I100-M140 HydrophobicContact CG1-CG 4.15Å; I100-M140 HydrophobicContact CG2-CG 4.23Å; I100-Y146 HydrophobicContact CD1-CD1 4.33Å; I100-Y146 HydrophobicContact CD1-CE1 3.65Å; I100-V233 HydrophobicContact CD1-CG1 3.69Å; I100-V233 HydrophobicContact CG2-CG2 4.42Å; I100-K251 WeakPolarHBondContact O-CE 3.32Å; I100-K251 PolarHBondContact O-NZ 3.02Å; I100-F253 HydrophobicContact CB-CZ 4.31Å; I100-F253 HydrophobicContact CG2-CE2 4.44Å; I100-F253 HydrophobicContact CG2-CZ 3.95Å; I100-F253 WeakPolarHBondContact O-CZ 3.5Å | ||
| 101 | S | 96.4 | Very high | 89.6 | Confident | 69 Ų | 69 | 59.3 Ų | 59.3 | 48% | 0.483 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 145.8 | 174.7 | -71.5 | 0 | 0 | 0 | 0 | 110.2 | N99 F138 | N99-S101 PolarHBondContact O-N 3.02Å; S101-F138 PolarHBondContact N-O 3.06Å; S101-F138 PolarHBondContact O-N 3.19Å |
| 102 | V | 98.1 | Very high | 91.5 | Very high | 21 Ų | 21 | 60.8 Ų | 60.8 | 13% | 0.127 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 130.1 | -175.4 | -176.6 | 0 | 0 | 0 | 0 | 109 | I100 V135 K136 I137 F231 F253 F255 | I100-V102 HydrophobicContact CG2-CG2 4.34Å; V102-V135 HydrophobicContact CG1-CB 3.61Å; V102-V135 HydrophobicContact CG1-CG1 3.77Å; V102-V135 HydrophobicContact CG1-CG2 4.14Å; V102-K136 WeakPolarHBondContact CA-O 3.43Å; V102-I137 HydrophobicContact CG2-CG1 4.46Å; V102-I137 HydrophobicContact CG2-CG2 4.22Å; V102-F231 HydrophobicContact CG1-CD1 3.96Å; V102-F231 HydrophobicContact CG1-CE1 3.91Å; V102-F231 HydrophobicContact CG2-CD1 4.21Å; V102-F231 HydrophobicContact CG2-CE1 3.82Å; V102-F253 HydrophobicContact CB-CD1 3.74Å; V102-F253 HydrophobicContact CB-CD2 4.41Å; V102-F253 HydrophobicContact CB-CE1 3.97Å; V102-F253 HydrophobicContact CB-CG 3.97Å; V102-F253 HydrophobicContact CB-CZ 4.4Å; V102-F253 HydrophobicContact CG2-CD1 3.69Å; V102-F253 HydrophobicContact CG2-CD2 3.7Å; V102-F253 HydrophobicContact CG2-CE1 3.55Å; V102-F253 HydrophobicContact CG2-CE2 3.57Å; V102-F253 HydrophobicContact CG2-CG 3.76Å; V102-F253 HydrophobicContact CG2-CZ 3.49Å; V102-F253 VanDerWaalsContact CG2-CZ 3.49Å; V102-F255 HydrophobicContact CB-CZ 4.31Å; V102-F255 HydrophobicContact CG1-CE2 4.18Å; V102-F255 HydrophobicContact CG1-CZ 3.96Å |
| 103 | Q | 98.3 | Very high | 92.8 | Very high | 97 Ų | 97 | 52.5 Ų | 52.5 | 45% | 0.453 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.1 | 176.2 | 177.6 | 178.3 | -7 | 0 | 0 | 109.3 | V135 K136 F138 | Q103-V135 CarbonylContact O-C 3.54Å; Q103-V135 VanDerWaalsContact O-CA 3.24Å; Q103-V135 WeakPolarHBondContact O-CA 3.32Å; Q103-K136 HydrophobicContact CB-CB 4.5Å; Q103-K136 PolarHBondContact N-O 2.93Å; Q103-K136 PolarHBondContact O-N 2.87Å; Q103-F138 HydrophobicContact CB-CE2 3.98Å |
| 104 | L | 98.4 | Very high | 93.8 | Very high | 10 Ų | 10 | 51.5 Ų | 51.5 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 127 | 171.2 | -178 | 68.5 | 0 | 0 | 0 | 109.8 | K107 W110 F133 V135 F255 E257 T258 | L104-K107 HydrophobicContact CD2-CG 4.24Å; L104-W110 HydrophobicContact CD2-CB 4.3Å; L104-W110 HydrophobicContact CD2-CG 4.09Å; L104-F133 HydrophobicContact CD1-CD2 4.37Å; L104-F133 HydrophobicContact CD1-CE2 4.16Å; L104-V135 HydrophobicContact CD1-CG1 4.45Å; L104-F255 HydrophobicContact CB-CD1 3.84Å; L104-F255 HydrophobicContact CB-CD2 4.42Å; L104-F255 HydrophobicContact CB-CE1 3.88Å; L104-F255 HydrophobicContact CB-CE2 4.45Å; L104-F255 HydrophobicContact CB-CG 4.13Å; L104-F255 HydrophobicContact CB-CZ 4.19Å; L104-F255 HydrophobicContact CD1-CD2 4.38Å; L104-F255 HydrophobicContact CD2-CB 4.15Å; L104-F255 HydrophobicContact CD2-CD1 4.44Å; L104-F255 HydrophobicContact CD2-CG 4.27Å; L104-E257 HydrophobicContact CD2-CG 3.61Å; L104-T258 HydrophobicContact CD1-CG2 3.99Å; L104-T258 HydrophobicContact CD2-CG2 3.68Å |
| 105 | E | 98.1 | Very high | 94.7 | Very high | 39 Ų | 39 | 58.6 Ų | 58.6 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 153.5 | 175.3 | -68.9 | -70 | 178.1 | 0 | 0 | 111.1 | K107 Q134 K136 I200 | E105-K107 PolarHBondContact O-N 2.78Å; E105-Q134 HydrophobicContact CB-CB 3.94Å; E105-Q134 PolarHBondContact N-O 3.04Å; E105-K136 HydrophobicContact CG-CB 4.34Å; E105-K136 WeakPolarHBondContact OE1-CB 3.44Å; E105-K136 WeakPolarHBondContact OE1-CD 3.34Å; E105-I200 HydrophobicContact CG-CD1 3.86Å; E105-I200 HydrophobicContact CG-CG1 3.97Å; E105-I200 HydrophobicContact CG-CG2 3.96Å |
| 106 | M | 95.8 | Very high | 95.4 | Very high | 77 Ų | 77 | 55.3 Ų | 55.3 | 38% | 0.379 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 29 | -171.9 | -56.5 | 174.2 | -71.1 | 0 | 0 | 114.1 | A108 L109 W110 Q134 | M106-A108 VanDerWaalsContact C-N 3.29Å; M106-A108 PolarHBondContact O-N 2.89Å; M106-A108 VanDerWaalsContact O-N 3.14Å; M106-L109 WeakPolarHBondContact O-CB 3.33Å; M106-L109 PolarHBondContact O-N 3.05Å; M106-W110 PolarHBondContact O-N 2.85Å; M106-Q134 HydrophobicContact CE-CB 4.26Å; M106-Q134 HydrophobicContact CE-CG 4.02Å; M106-Q134 VanDerWaalsContact CE-OE1 3.27Å |
| 107 | K | 97 | Very high | 96.1 | Very high | 92 Ų | 92 | 52.6 Ų | 52.6 | 40% | 0.4 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -48.5 | -44 | -174.1 | -163.4 | -137.2 | -178.5 | -53.3 | 0 | 114.1 | L104 E105 L109 W110 D111 E257 | L104-K107 HydrophobicContact CD2-CG 4.24Å; E105-K107 PolarHBondContact O-N 2.78Å; K107-L109 VanDerWaalsContact C-N 3.32Å; K107-L109 PolarHBondContact O-N 3.28Å; K107-W110 CarbonylContact O-C 3.6Å; K107-W110 WeakPolarHBondContact O-CA 3.45Å; K107-W110 WeakPolarHBondContact O-CB 3.24Å; K107-W110 PolarHBondContact O-N 3.11Å; K107-D111 WeakPolarHBondContact CD-OD2 3.44Å; K107-D111 IonicContact NZ-OD1 2.78Å; K107-D111 PolarHBondContact NZ-OD1 3.31Å; K107-D111 IonicContact NZ-OD2 3.78Å; K107-D111 PolarHBondContact NZ-OD2 2.95Å; K107-D111 PolarHBondContact O-N 3Å; K107-E257 WeakPolarHBondContact CE-OE1 3.34Å; K107-E257 WeakPolarHBondContact CG-OE1 3.35Å; K107-E257 IonicContact NZ-OE1 3.3Å; K107-E257 PolarHBondContact NZ-OE1 3.42Å |
| 108 | A | 97.9 | Very high | 96.7 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 55% | 0.554 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -57.8 | -40 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | M106 W110 D111 E112 | M106-A108 VanDerWaalsContact C-N 3.29Å; M106-A108 PolarHBondContact O-N 2.89Å; M106-A108 VanDerWaalsContact O-N 3.14Å; A108-W110 VanDerWaalsContact C-N 3.34Å; A108-D111 PolarHBondContact O-N 3.18Å; A108-E112 WeakPolarHBondContact O-CG 3.37Å; A108-E112 PolarHBondContact O-N 3.18Å |
| 109 | L | 97.9 | Very high | 97.3 | Very high | 31 Ų | 31 | 50.9 Ų | 50.9 | 16% | 0.162 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.5 | -33.1 | 176.3 | -177.8 | 64.2 | 0 | 0 | 0 | 111.6 | M106 K107 F113 F130 P131 L274 | M106-L109 WeakPolarHBondContact O-CB 3.33Å; M106-L109 PolarHBondContact O-N 3.05Å; K107-L109 VanDerWaalsContact C-N 3.32Å; K107-L109 PolarHBondContact O-N 3.28Å; L109-F113 HydrophobicContact CD1-CD2 4.14Å; L109-F113 HydrophobicContact CD1-CE2 3.78Å; L109-F113 HydrophobicContact CD2-CE2 4.48Å; L109-F113 HydrophobicContact CG-CD2 4.1Å; L109-F113 HydrophobicContact CG-CE2 3.97Å; L109-F113 VanDerWaalsContact O-CD2 3.22Å; L109-F113 WeakPolarHBondContact O-CD2 3.34Å; L109-F113 PolarHBondContact O-N 2.9Å; L109-F113 VanDerWaalsContact O-N 3.14Å; L109-F130 HydrophobicContact CD2-CZ 4.3Å; L109-P131 HydrophobicContact CD2-CB 4.25Å; L109-P131 HydrophobicContact CD2-CG 3.92Å; L109-P131 HydrophobicContact CG-CG 3.91Å; L109-L274 HydrophobicContact CD1-CD1 4.48Å |
| 110 | W | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.6 | -41.9 | 170.3 | -78.1 | 104.9 | 0 | 0 | 0 | 111.8 | L104 M106 K107 A108 F113 N114 T118 M120 P131 E257 T258 | L104-W110 HydrophobicContact CD2-CB 4.3Å; L104-W110 HydrophobicContact CD2-CG 4.09Å; M106-W110 PolarHBondContact O-N 2.85Å; K107-W110 CarbonylContact O-C 3.6Å; K107-W110 WeakPolarHBondContact O-CA 3.45Å; K107-W110 WeakPolarHBondContact O-CB 3.24Å; K107-W110 PolarHBondContact O-N 3.11Å; A108-W110 VanDerWaalsContact C-N 3.34Å; W110-F113 PolarHBondContact O-N 3.06Å; W110-N114 VanDerWaalsContact O-CB 3.24Å; W110-N114 WeakPolarHBondContact O-CB 3.47Å; W110-N114 PolarHBondContact O-N 3.23Å; W110-T118 HydrophobicContact CZ3-CG2 4.49Å; W110-M120 HydrophobicContact CH2-CE 3.61Å; W110-M120 HydrophobicContact CZ3-CE 3.75Å; W110-P131 HydrophobicContact CD2-CB 4.27Å; W110-P131 HydrophobicContact CD2-CG 4.12Å; W110-P131 HydrophobicContact CE3-CG 4.45Å; W110-P131 HydrophobicContact CG-CG 4.49Å; W110-P131 HydrophobicContact CZ2-CB 3.92Å; W110-P131 HydrophobicContact CZ2-CG 4.44Å; W110-P131 WeakPolarHBondContact CZ2-O 3.31Å; W110-E257 HydrophobicContact CB-CB 4.35Å; W110-E257 HydrophobicContact CB-CG 3.88Å; W110-T258 HydrophobicContact CD2-CG2 3.69Å; W110-T258 HydrophobicContact CE3-CG2 3.79Å; W110-T258 HydrophobicContact CG-CG2 4.18Å; W110-T258 HydrophobicContact CH2-CG2 4.25Å; W110-T258 HydrophobicContact CZ2-CG2 4.18Å; W110-T258 HydrophobicContact CZ3-CG2 4.06Å |
| 111 | D | 98.4 | Very high | 97.9 | Very high | 57 Ų | 57 | 45.5 Ų | 45.5 | 31% | 0.305 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.5 | -41.9 | 176.4 | -66.9 | -46.1 | 0 | 0 | 0 | 112 | K107 A108 N114 Q115 E257 | K107-D111 WeakPolarHBondContact CD-OD2 3.44Å; K107-D111 IonicContact NZ-OD1 2.78Å; K107-D111 PolarHBondContact NZ-OD1 3.31Å; K107-D111 IonicContact NZ-OD2 3.78Å; K107-D111 PolarHBondContact NZ-OD2 2.95Å; K107-D111 PolarHBondContact O-N 3Å; A108-D111 PolarHBondContact O-N 3.18Å; D111-N114 PolarHBondContact O-N 2.99Å; D111-Q115 WeakPolarHBondContact O-CB 3.33Å; D111-Q115 PolarHBondContact O-N 2.81Å; D111-E257 WeakPolarHBondContact OD1-CB 3.41Å |
| 112 | E | 98.3 | Very high | 98 | Very high | 94 Ų | 94 | 42.3 Ų | 42.3 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 173.3 | -73.7 | 171.5 | -155.2 | 0 | 0 | 112.4 | A108 L116 L274 | A108-E112 WeakPolarHBondContact O-CG 3.37Å; A108-E112 PolarHBondContact O-N 3.18Å; E112-L116 PolarHBondContact O-N 3.37Å; E112-L274 HydrophobicContact CB-CD2 3.93Å |
| 113 | F | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.7 | -40 | 175.7 | -85.1 | -64.6 | 0 | 0 | 0 | 112.1 | L109 W110 L116 G117 T118 F130 P131 I271 L274 K275 | L109-F113 HydrophobicContact CD1-CD2 4.14Å; L109-F113 HydrophobicContact CD1-CE2 3.78Å; L109-F113 HydrophobicContact CD2-CE2 4.48Å; L109-F113 HydrophobicContact CG-CD2 4.1Å; L109-F113 HydrophobicContact CG-CE2 3.97Å; L109-F113 VanDerWaalsContact O-CD2 3.22Å; L109-F113 WeakPolarHBondContact O-CD2 3.34Å; L109-F113 PolarHBondContact O-N 2.9Å; L109-F113 VanDerWaalsContact O-N 3.14Å; W110-F113 PolarHBondContact O-N 3.06Å; F113-L116 CarbonylContact O-C 3.55Å; F113-L116 PolarHBondContact O-N 3.08Å; F113-G117 CarbonylContact O-C 3.56Å; F113-G117 PolarHBondContact O-N 3.03Å; F113-G117 VanDerWaalsContact O-N 3.11Å; F113-T118 HydrophobicContact CB-CG2 4.13Å; F113-T118 PolarHBondContact O-N 3.47Å; F113-T118 PolarHBondContact O-OG1 2.84Å; F113-F130 HydrophobicContact CE2-CD1 4.22Å; F113-F130 AromaticContact CE2-CE1 3.92Å; F113-F130 HydrophobicContact CE2-CE1 3.92Å; F113-F130 HydrophobicContact CZ-CD1 4.21Å; F113-F130 HydrophobicContact CZ-CE1 4.06Å; F113-P131 HydrophobicContact CD2-CG 3.51Å; F113-P131 HydrophobicContact CE2-CG 3.69Å; F113-I271 HydrophobicContact CD1-CD1 3.89Å; F113-I271 HydrophobicContact CD1-CG2 4.34Å; F113-I271 HydrophobicContact CE1-CG2 4.2Å; F113-L274 HydrophobicContact CD1-CD2 3.73Å; F113-L274 HydrophobicContact CD1-CG 4.29Å; F113-L274 HydrophobicContact CD2-CD2 4.13Å; F113-L274 HydrophobicContact CE1-CB 3.81Å; F113-L274 HydrophobicContact CE1-CD2 3.68Å; F113-L274 HydrophobicContact CE1-CG 3.7Å; F113-L274 HydrophobicContact CE2-CD2 4.1Å; F113-L274 HydrophobicContact CE2-CG 4.06Å; F113-L274 HydrophobicContact CG-CD2 3.94Å; F113-L274 HydrophobicContact CZ-CB 4.02Å; F113-L274 HydrophobicContact CZ-CD2 3.86Å; F113-L274 HydrophobicContact CZ-CG 3.56Å; F113-K275 HydrophobicContact CE1-CD 3.57Å; F113-K275 HydrophobicContact CE1-CG 3.89Å; F113-K275 HydrophobicContact CZ-CD 3.62Å; F113-K275 HydrophobicContact CZ-CG 4.12Å |
| 114 | N | 98 | Very high | 97.9 | Very high | 55 Ų | 55 | 45.5 Ų | 45.5 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.7 | -41.8 | -179.9 | -175.6 | 43.5 | 0 | 0 | 0 | 111.7 | W110 D111 L116 G117 T118 E257 | W110-N114 VanDerWaalsContact O-CB 3.24Å; W110-N114 WeakPolarHBondContact O-CB 3.47Å; W110-N114 PolarHBondContact O-N 3.23Å; D111-N114 PolarHBondContact O-N 2.99Å; N114-L116 PolarHBondContact O-N 3.32Å; N114-G117 PolarHBondContact O-N 2.9Å; N114-T118 WeakPolarHBondContact CA-OG1 3.22Å; N114-T118 PolarHBondContact N-OG1 2.92Å; N114-E257 HydrophobicContact CB-CB 4.41Å |
| 115 | Q | 97.8 | Very high | 97.8 | Very high | 174 Ų | 174 | 48.3 Ų | 48.3 | 81% | 0.813 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.2 | -31.5 | 175.4 | -174.1 | 177.8 | 86 | 0 | 0 | 112.7 | D111 | D111-Q115 WeakPolarHBondContact O-CB 3.33Å; D111-Q115 PolarHBondContact O-N 2.81Å |
| 116 | L | 96.9 | Very high | 97.7 | Very high | 32 Ų | 32 | 47 Ų | 47 | 17% | 0.168 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -4.2 | 174.5 | -64.4 | 179.4 | 0 | 0 | 0 | 114 | E112 F113 N114 N268 R270 I271 L274 | E112-L116 PolarHBondContact O-N 3.37Å; F113-L116 CarbonylContact O-C 3.55Å; F113-L116 PolarHBondContact O-N 3.08Å; N114-L116 PolarHBondContact O-N 3.32Å; L116-N268 PolarHBondContact O-ND2 2.97Å; L116-R270 HydrophobicContact CD1-CB 4.13Å; L116-R270 HydrophobicContact CD2-CB 4.23Å; L116-R270 VanDerWaalsContact CD2-CZ 3.49Å; L116-I271 HydrophobicContact CB-CD1 3.44Å; L116-I271 VanDerWaalsContact CB-CD1 3.44Å; L116-I271 HydrophobicContact CB-CG1 4.17Å; L116-I271 HydrophobicContact CD1-CD1 4.41Å; L116-L274 HydrophobicContact CD1-CD2 3.99Å |
| 117 | G | 97.1 | Very high | 97.9 | Very high | 24 Ų | 24 | 47.8 Ų | 47.8 | 25% | 0.247 | 26% | 0.256 | C | S | . | . | trans | 75.9 | 82.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112 | F113 N114 E119 | F113-G117 CarbonylContact O-C 3.56Å; F113-G117 PolarHBondContact O-N 3.03Å; F113-G117 VanDerWaalsContact O-N 3.11Å; N114-G117 PolarHBondContact O-N 2.9Å; G117-E119 PolarHBondContact O-N 3Å | ||
| 118 | T | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | trans | -46.4 | 128 | -174.2 | -48.5 | 0 | 0 | 0 | 0 | 113.2 | W110 F113 N114 M120 R259 F260 T261 | W110-T118 HydrophobicContact CZ3-CG2 4.49Å; F113-T118 HydrophobicContact CB-CG2 4.13Å; F113-T118 PolarHBondContact O-N 3.47Å; F113-T118 PolarHBondContact O-OG1 2.84Å; N114-T118 WeakPolarHBondContact CA-OG1 3.22Å; N114-T118 PolarHBondContact N-OG1 2.92Å; T118-M120 HydrophobicContact CG2-CE 4.11Å; T118-R259 VanDerWaalsContact CB-O 3.32Å; T118-R259 WeakPolarHBondContact CB-O 3.22Å; T118-R259 PolarHBondContact OG1-O 3.19Å; T118-F260 HydrophobicContact CG2-CB 3.67Å; T118-F260 CarbonylContact O-C 3.55Å; T118-F260 VanDerWaalsContact O-CA 3.23Å; T118-F260 WeakPolarHBondContact O-CA 3.44Å; T118-F260 WeakPolarHBondContact O-CB 3.2Å; T118-T261 PolarHBondContact O-N 2.96Å | ||
| 119 | E | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 143.9 | 170.2 | -57.4 | 179.3 | -161.2 | 0 | 0 | 111.1 | G117 W169 T261 V263 Y266 Q267 N268 I271 K275 | G117-E119 PolarHBondContact O-N 3Å; E119-W169 HydrophobicContact CG-CZ2 4.03Å; E119-T261 WeakPolarHBondContact CA-O 3.48Å; E119-V263 HydrophobicContact CB-CG2 4.03Å; E119-Y266 HydrophobicContact CB-CD1 3.98Å; E119-Y266 HydrophobicContact CB-CE1 4.28Å; E119-Y266 VanDerWaalsContact OE2-CA 3.22Å; E119-Y266 WeakPolarHBondContact OE2-CA 3.47Å; E119-Q267 PolarHBondContact OE2-N 2.88Å; E119-N268 VanDerWaalsContact OE1-CB 3.32Å; E119-N268 WeakPolarHBondContact OE1-CB 3.44Å; E119-N268 PolarHBondContact OE1-N 2.94Å; E119-I271 HydrophobicContact CB-CG2 4.09Å; E119-I271 HydrophobicContact CG-CG1 4.33Å; E119-I271 HydrophobicContact CG-CG2 4.42Å; E119-K275 WeakPolarHBondContact O-CE 3.36Å; E119-K275 PolarHBondContact O-NZ 3.37Å |
| 120 | M | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 129.5 | 171.7 | -63.6 | -68.6 | -174.9 | 0 | 0 | 110.4 | W110 T118 M129 F130 L208 F260 T261 V263 | W110-M120 HydrophobicContact CH2-CE 3.61Å; W110-M120 HydrophobicContact CZ3-CE 3.75Å; T118-M120 HydrophobicContact CG2-CE 4.11Å; M120-M129 HydrophobicContact CE-CB 4.16Å; M120-M129 HydrophobicContact SD-CB 4.07Å; M120-M129 HydrophobicContact SD-CG 4.47Å; M120-F130 WeakPolarHBondContact CE-O 3.44Å; M120-F130 VanDerWaalsContact SD-O 3.37Å; M120-L208 HydrophobicContact CB-CD1 3.94Å; M120-L208 HydrophobicContact CG-CD1 4.41Å; M120-F260 HydrophobicContact CB-CD2 3.49Å; M120-F260 VanDerWaalsContact CB-CD2 3.49Å; M120-F260 HydrophobicContact CB-CE2 3.72Å; M120-F260 HydrophobicContact CB-CG 4.2Å; M120-F260 HydrophobicContact CG-CB 3.94Å; M120-F260 HydrophobicContact CG-CD1 4.14Å; M120-F260 HydrophobicContact CG-CD2 3.37Å; M120-F260 HydrophobicContact CG-CE2 3.84Å; M120-F260 HydrophobicContact CG-CG 3.54Å; M120-F260 HydrophobicContact CG-CZ 4.4Å; M120-T261 PolarHBondContact N-O 3.23Å; M120-T261 VanDerWaalsContact N-O 3.08Å; M120-V263 PolarHBondContact O-N 3.24Å |
| 121 | I | 98.5 | Very high | 97.9 | Very high | 12 Ų | 12 | 46.8 Ų | 46.8 | 6% | 0.062 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 131 | 177.2 | -60.8 | -57.9 | 0 | 0 | 0 | 110.5 | T123 R127 V263 Y266 | I121-T123 HydrophobicContact CG2-CG2 3.8Å; I121-R127 HydrophobicContact CB-CG 4.09Å; I121-R127 HydrophobicContact CG2-CG 4.08Å; I121-R127 WeakPolarHBondContact O-CB 3.21Å; I121-V263 CarbonylContact C-O 3.51Å; I121-V263 VanDerWaalsContact CA-O 3.25Å; I121-V263 WeakPolarHBondContact CA-O 3.25Å; I121-V263 HydrophobicContact CD1-CG2 3.89Å; I121-Y266 HydrophobicContact CD1-CD1 3.7Å; I121-Y266 HydrophobicContact CD1-CD2 4.05Å; I121-Y266 HydrophobicContact CD1-CE1 3.68Å; I121-Y266 HydrophobicContact CD1-CE2 4.04Å; I121-Y266 HydrophobicContact CD1-CG 3.88Å; I121-Y266 HydrophobicContact CG1-CD1 4.27Å; I121-Y266 HydrophobicContact CG1-CD2 4.47Å; I121-Y266 HydrophobicContact CG1-CE1 3.71Å; I121-Y266 HydrophobicContact CG1-CE2 3.95Å |
| 122 | V | 98.2 | Very high | 97.9 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | trans | -109.8 | 137.7 | 168.2 | -66.3 | 0 | 0 | 0 | 0 | 111 | L208 N210 L221 A262 V263 T264 | V122-L208 HydrophobicContact CG1-CB 3.86Å; V122-N210 HydrophobicContact CB-CB 4.22Å; V122-N210 HydrophobicContact CG2-CB 3.89Å; V122-L221 HydrophobicContact CG1-CB 4.36Å; V122-L221 HydrophobicContact CG1-CD1 4.47Å; V122-A262 HydrophobicContact CG1-CB 4.08Å; V122-V263 WeakPolarHBondContact CG2-O 3.43Å; V122-V263 PolarHBondContact N-O 2.84Å; V122-T264 HydrophobicContact CG2-CG2 4.21Å | ||
| 123 | T | 97.9 | Very high | 97.9 | Very high | 30 Ų | 30 | 41.2 Ų | 41.2 | 18% | 0.184 | 21% | 0.209 | C | C | . | . | trans | -142.2 | 156 | 178.4 | 71.3 | 0 | 0 | 0 | 0 | 111.9 | I121 A125 G126 R127 T209 | I121-T123 HydrophobicContact CG2-CG2 3.8Å; T123-A125 PolarHBondContact O-N 3.46Å; T123-A125 VanDerWaalsContact O-N 3.1Å; T123-G126 PolarHBondContact O-N 3.05Å; T123-R127 HydrophobicContact CG2-CB 4.3Å; T123-T209 WeakPolarHBondContact O-CA 3.32Å; T123-T209 WeakPolarHBondContact O-CB 3.43Å; T123-T209 PolarHBondContact O-OG1 3.14Å | ||
| 124 | K | 96.5 | Very high | 97.9 | Very high | 155 Ų | 155 | 43.4 Ų | 43.4 | 67% | 0.674 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -34.8 | -179 | -177.2 | 175.2 | -178.9 | 178.9 | 0 | 114.1 | T209 N210 N211 | K124-T209 PolarHBondContact O-OG1 2.79Å; K124-N210 PolarHBondContact N-OD1 3.37Å; K124-N210 VanDerWaalsContact N-OD1 3.13Å; K124-N211 HydrophobicContact CG-CB 4.18Å |
| 125 | A | 96.6 | Very high | 97.9 | Very high | 69 Ų | 69 | 40.8 Ų | 40.8 | 57% | 0.57 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 2.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T123 K207 H218 | T123-A125 PolarHBondContact O-N 3.46Å; T123-A125 VanDerWaalsContact O-N 3.1Å; A125-K207 PolarHBondContact O-NZ 2.7Å; A125-H218 PolarHBondContact O-CE1 3.46Å |
| 126 | G | 97.3 | Very high | 98 | Very high | 10 Ų | 10 | 36.5 Ų | 36.5 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | trans | 76.6 | 125.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T123 K207 L208 | T123-G126 PolarHBondContact O-N 3.05Å; G126-K207 VanDerWaalsContact O-CE 3.3Å; G126-K207 WeakPolarHBondContact O-CE 3.36Å; G126-L208 WeakPolarHBondContact CA-O 3.35Å | ||
| 127 | R | 98.2 | Very high | 98 | Very high | 95 Ų | 95 | 35.1 Ų | 35.1 | 36% | 0.358 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.1 | 179.9 | -174.4 | 67.5 | 166.1 | -156.2 | -10.6 | 110.4 | I121 T123 K207 L208 | I121-R127 HydrophobicContact CB-CG 4.09Å; I121-R127 HydrophobicContact CG2-CG 4.08Å; I121-R127 WeakPolarHBondContact O-CB 3.21Å; T123-R127 HydrophobicContact CG2-CB 4.3Å; R127-K207 CarbonylContact O-C 3.48Å; R127-K207 VanDerWaalsContact O-CA 3.3Å; R127-K207 WeakPolarHBondContact O-CA 3.37Å; R127-L208 PolarHBondContact N-O 2.95Å; R127-L208 PolarHBondContact O-N 2.9Å |
| 128 | R | 98.1 | Very high | 98 | Very high | 124 Ų | 124 | 38 Ų | 38 | 47% | 0.468 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 146.2 | 175.4 | -69.6 | 177.1 | 168.8 | -140.3 | -12.8 | 111.1 | D204 L206 K207 | R128-D204 WeakPolarHBondContact CD-O 3.33Å; R128-D204 WeakPolarHBondContact CG-O 3.32Å; R128-D204 IonicContact CZ-OD2 3.67Å; R128-D204 PolarHBondContact NE-O 2.86Å; R128-D204 VanDerWaalsContact NE-O 3.08Å; R128-D204 PolarHBondContact NH1-O 2.99Å; R128-D204 IonicContact NH1-OD2 3.53Å; R128-D204 PolarHBondContact NH1-OD2 3.07Å; R128-D204 IonicContact NH2-OD2 2.87Å; R128-D204 PolarHBondContact NH2-OD2 3.05Å; R128-L206 WeakPolarHBondContact CA-O 3.42Å; R128-K207 HydrophobicContact CG-CG 4.18Å |
| 129 | M | 98.2 | Very high | 97.9 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 6% | 0.059 | 20% | 0.204 | C | C | . | . | trans | -68.2 | 151.9 | 173.7 | -60.7 | -166.5 | -61.6 | 0 | 0 | 111.6 | M120 F133 M150 F152 L206 L208 | M120-M129 HydrophobicContact CE-CB 4.16Å; M120-M129 HydrophobicContact SD-CB 4.07Å; M120-M129 HydrophobicContact SD-CG 4.47Å; M129-F133 HydrophobicContact CE-CB 3.7Å; M129-M150 HydrophobicContact CE-CE 4.46Å; M129-F152 HydrophobicContact CE-CZ 4.1Å; M129-F152 HydrophobicContact SD-CE1 3.75Å; M129-F152 HydrophobicContact SD-CZ 3.74Å; M129-L206 HydrophobicContact CE-CD1 4.27Å; M129-L206 HydrophobicContact CE-CD2 4.13Å; M129-L206 HydrophobicContact CG-CD2 4.42Å; M129-L206 HydrophobicContact SD-CD2 4.3Å; M129-L208 HydrophobicContact CG-CD1 3.82Å; M129-L208 HydrophobicContact CG-CD2 4.35Å; M129-L208 HydrophobicContact CG-CG 3.98Å; M129-L208 HydrophobicContact SD-CD1 4.22Å; M129-L208 HydrophobicContact SD-CD2 4.36Å | ||
| 130 | F | 98 | Very high | 97.8 | Very high | 32 Ų | 32 | 40.5 Ų | 40.5 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -145 | 123.7 | 164.9 | -173.6 | -88.1 | 0 | 0 | 0 | 110.1 | L109 F113 M120 K275 N279 | L109-F130 HydrophobicContact CD2-CZ 4.3Å; F113-F130 HydrophobicContact CE2-CD1 4.22Å; F113-F130 AromaticContact CE2-CE1 3.92Å; F113-F130 HydrophobicContact CE2-CE1 3.92Å; F113-F130 HydrophobicContact CZ-CD1 4.21Å; F113-F130 HydrophobicContact CZ-CE1 4.06Å; M120-F130 WeakPolarHBondContact CE-O 3.44Å; M120-F130 VanDerWaalsContact SD-O 3.37Å; F130-K275 HydrophobicContact CD1-CD 3.83Å; F130-K275 PolarHBondContact O-NZ 3.26Å; F130-N279 HydrophobicContact CD1-CB 4.14Å; F130-N279 HydrophobicContact CD2-CB 3.96Å; F130-N279 HydrophobicContact CE1-CB 3.88Å; F130-N279 HydrophobicContact CE2-CB 3.7Å; F130-N279 HydrophobicContact CG-CB 4.18Å; F130-N279 VanDerWaalsContact CZ-CA 3.48Å; F130-N279 HydrophobicContact CZ-CB 3.67Å |
| 131 | P | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | S | Bend | cis | -61.3 | 156.9 | 1.2 | -20 | 33.1 | 0 | 0 | 0 | 112.8 | L109 W110 F113 | L109-P131 HydrophobicContact CD2-CB 4.25Å; L109-P131 HydrophobicContact CD2-CG 3.92Å; L109-P131 HydrophobicContact CG-CG 3.91Å; W110-P131 HydrophobicContact CD2-CB 4.27Å; W110-P131 HydrophobicContact CD2-CG 4.12Å; W110-P131 HydrophobicContact CE3-CG 4.45Å; W110-P131 HydrophobicContact CG-CG 4.49Å; W110-P131 HydrophobicContact CZ2-CB 3.92Å; W110-P131 HydrophobicContact CZ2-CG 4.44Å; W110-P131 WeakPolarHBondContact CZ2-O 3.31Å; F113-P131 HydrophobicContact CD2-CG 3.51Å; F113-P131 HydrophobicContact CE2-CG 3.69Å |
| 132 | T | 97.9 | Very high | 97.5 | Very high | 33 Ų | 33 | 44.7 Ų | 44.7 | 20% | 0.202 | 23% | 0.232 | C | C | . | . | trans | -69.5 | 135.2 | 173.4 | -55.1 | 0 | 0 | 0 | 0 | 108.5 | Q134 D204 | T132-Q134 HydrophobicContact CG2-CG 3.86Å; T132-Q134 PolarHBondContact O-N 3.43Å; T132-D204 HydrophobicContact CG2-CB 4.06Å | ||
| 133 | F | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | trans | -71.8 | 112.4 | 172 | -169.3 | -84.1 | 0 | 0 | 0 | 109 | L104 M129 V135 M150 F203 P229 F231 F255 T258 | L104-F133 HydrophobicContact CD1-CD2 4.37Å; L104-F133 HydrophobicContact CD1-CE2 4.16Å; M129-F133 HydrophobicContact CE-CB 3.7Å; F133-V135 HydrophobicContact CD1-CG1 4.23Å; F133-V135 HydrophobicContact CE1-CG1 3.5Å; F133-V135 VanDerWaalsContact CE1-CG1 3.5Å; F133-V135 HydrophobicContact CZ-CG1 3.92Å; F133-M150 HydrophobicContact CB-CE 3.99Å; F133-M150 HydrophobicContact CB-SD 4.06Å; F133-M150 HydrophobicContact CD1-CE 3.57Å; F133-M150 HydrophobicContact CD1-SD 3.44Å; F133-M150 WeakPolarHBondContact CD1-SD 3.28Å; F133-M150 HydrophobicContact CD2-CE 3.63Å; F133-M150 HydrophobicContact CE1-CE 3.87Å; F133-M150 HydrophobicContact CE1-SD 3.96Å; F133-M150 HydrophobicContact CE2-CE 3.92Å; F133-M150 HydrophobicContact CG-CE 3.44Å; F133-M150 VanDerWaalsContact CG-CE 3.44Å; F133-M150 HydrophobicContact CG-SD 3.77Å; F133-M150 HydrophobicContact CZ-CE 4.03Å; F133-F203 HydrophobicContact CD1-CD2 4.02Å; F133-F203 PolarHBondContact O-N 3.33Å; F133-P229 HydrophobicContact CE2-CB 4.43Å; F133-F231 HydrophobicContact CE1-CB 3.8Å; F133-F231 HydrophobicContact CE1-CD2 4.25Å; F133-F231 HydrophobicContact CE1-CG 4.14Å; F133-F231 HydrophobicContact CZ-CB 3.78Å; F133-F255 HydrophobicContact CE2-CD2 4.06Å; F133-F255 AromaticContact CZ-CD2 3.79Å; F133-F255 HydrophobicContact CZ-CD2 3.79Å; F133-F255 HydrophobicContact CZ-CE2 4.12Å; F133-T258 HydrophobicContact CD2-CG2 4.09Å; F133-T258 HydrophobicContact CE2-CG2 3.98Å | ||
| 134 | Q | 98.4 | Very high | 97.2 | Very high | 46 Ų | 46 | 50 Ų | 50 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 137 | -176.2 | -66.1 | -165.8 | -28.7 | 0 | 0 | 109.4 | E105 M106 T132 I200 V201 S202 | E105-Q134 HydrophobicContact CB-CB 3.94Å; E105-Q134 PolarHBondContact N-O 3.04Å; M106-Q134 HydrophobicContact CE-CB 4.26Å; M106-Q134 HydrophobicContact CE-CG 4.02Å; M106-Q134 VanDerWaalsContact CE-OE1 3.27Å; T132-Q134 HydrophobicContact CG2-CG 3.86Å; T132-Q134 PolarHBondContact O-N 3.43Å; Q134-I200 HydrophobicContact CB-CG2 3.92Å; Q134-V201 CarbonylContact C-O 3.52Å; Q134-V201 VanDerWaalsContact CA-O 3.32Å; Q134-V201 WeakPolarHBondContact CA-O 3.5Å; Q134-S202 PolarHBondContact NE2-OG 3.04Å |
| 135 | V | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 149 | -176.2 | -68 | 0 | 0 | 0 | 0 | 112.1 | V102 Q103 L104 F133 I137 V201 F231 F255 | V102-V135 HydrophobicContact CG1-CB 3.61Å; V102-V135 HydrophobicContact CG1-CG1 3.77Å; V102-V135 HydrophobicContact CG1-CG2 4.14Å; Q103-V135 CarbonylContact O-C 3.54Å; Q103-V135 VanDerWaalsContact O-CA 3.24Å; Q103-V135 WeakPolarHBondContact O-CA 3.32Å; L104-V135 HydrophobicContact CD1-CG1 4.45Å; F133-V135 HydrophobicContact CD1-CG1 4.23Å; F133-V135 HydrophobicContact CE1-CG1 3.5Å; F133-V135 VanDerWaalsContact CE1-CG1 3.5Å; F133-V135 HydrophobicContact CZ-CG1 3.92Å; V135-I137 HydrophobicContact CG2-CG1 4.36Å; V135-V201 HydrophobicContact CG2-CB 4.15Å; V135-V201 PolarHBondContact N-O 3.15Å; V135-V201 PolarHBondContact O-N 3Å; V135-F231 HydrophobicContact CG2-CD1 4.47Å; V135-F231 HydrophobicContact CG2-CE1 4.1Å; V135-F231 HydrophobicContact CG2-CE2 4.16Å; V135-F231 HydrophobicContact CG2-CZ 3.93Å; V135-F255 HydrophobicContact CG1-CE2 4.09Å |
| 136 | K | 98.3 | Very high | 97.1 | Very high | 84 Ų | 84 | 41.7 Ų | 41.7 | 37% | 0.365 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.2 | 171.5 | -169.9 | 173.8 | 177.6 | -179.9 | 0 | 109.2 | V102 Q103 E105 F138 | V102-K136 WeakPolarHBondContact CA-O 3.43Å; Q103-K136 HydrophobicContact CB-CB 4.5Å; Q103-K136 PolarHBondContact N-O 2.93Å; Q103-K136 PolarHBondContact O-N 2.87Å; E105-K136 HydrophobicContact CG-CB 4.34Å; E105-K136 WeakPolarHBondContact OE1-CB 3.44Å; E105-K136 WeakPolarHBondContact OE1-CD 3.34Å; K136-F138 HydrophobicContact CB-CE2 4.26Å; K136-F138 HydrophobicContact CB-CZ 4.38Å; K136-F138 HydrophobicContact CD-CE1 4.34Å; K136-F138 HydrophobicContact CD-CE2 4.36Å; K136-F138 HydrophobicContact CD-CZ 3.69Å; K136-F138 HydrophobicContact CG-CE1 4.31Å; K136-F138 HydrophobicContact CG-CE2 3.98Å; K136-F138 HydrophobicContact CG-CZ 3.69Å |
| 137 | I | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 141.1 | -168.3 | -47.2 | 175.6 | 0 | 0 | 0 | 109.7 | I100 V102 V135 M140 L148 M197 V201 F231 | I100-I137 HydrophobicContact CG2-CG2 3.73Å; V102-I137 HydrophobicContact CG2-CG1 4.46Å; V102-I137 HydrophobicContact CG2-CG2 4.22Å; V135-I137 HydrophobicContact CG2-CG1 4.36Å; I137-M140 HydrophobicContact CB-SD 4.22Å; I137-M140 HydrophobicContact CG2-CG 3.69Å; I137-M140 HydrophobicContact CG2-SD 3.51Å; I137-M140 VanDerWaalsContact CG2-SD 3.51Å; I137-L148 HydrophobicContact CD1-CD1 3.56Å; I137-L148 HydrophobicContact CD1-CD2 4.22Å; I137-M197 WeakPolarHBondContact O-CG 3.46Å; I137-V201 HydrophobicContact CD1-CG2 3.88Å; I137-V201 HydrophobicContact CG1-CG2 4.47Å; I137-F231 HydrophobicContact CD1-CE1 4.18Å; I137-F231 HydrophobicContact CD1-CZ 3.75Å |
| 138 | F | 97.6 | Very high | 97 | Very high | 86 Ų | 86 | 37.4 Ų | 37.4 | 38% | 0.377 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 156.9 | -177.2 | -51.5 | -89.7 | 0 | 0 | 0 | 110.4 | I100 S101 Q103 K136 M140 | I100-F138 WeakPolarHBondContact CA-O 3.47Å; S101-F138 PolarHBondContact N-O 3.06Å; S101-F138 PolarHBondContact O-N 3.19Å; Q103-F138 HydrophobicContact CB-CE2 3.98Å; K136-F138 HydrophobicContact CB-CE2 4.26Å; K136-F138 HydrophobicContact CB-CZ 4.38Å; K136-F138 HydrophobicContact CD-CE1 4.34Å; K136-F138 HydrophobicContact CD-CE2 4.36Å; K136-F138 HydrophobicContact CD-CZ 3.69Å; K136-F138 HydrophobicContact CG-CE1 4.31Å; K136-F138 HydrophobicContact CG-CE2 3.98Å; K136-F138 HydrophobicContact CG-CZ 3.69Å; F138-M140 VanDerWaalsContact C-N 3.32Å; F138-M140 PolarHBondContact O-N 3.23Å |
| 139 | G | 95.6 | Very high | 96.9 | Very high | 45 Ų | 45 | 31.5 Ų | 31.5 | 46% | 0.464 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 74.3 | 16.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 140 | M | 96.2 | Very high | 96.9 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 4% | 0.039 | 17% | 0.168 | C | C | . | . | trans | -76.9 | 153.8 | 169 | -44.5 | -176 | 81.1 | 0 | 0 | 110.1 | I100 I137 F138 P142 Y146 W196 M197 V233 | I100-M140 HydrophobicContact CD1-CB 4.38Å; I100-M140 HydrophobicContact CD1-CE 4.27Å; I100-M140 HydrophobicContact CD1-CG 3.99Å; I100-M140 HydrophobicContact CG1-CG 4.15Å; I100-M140 HydrophobicContact CG2-CG 4.23Å; I137-M140 HydrophobicContact CB-SD 4.22Å; I137-M140 HydrophobicContact CG2-CG 3.69Å; I137-M140 HydrophobicContact CG2-SD 3.51Å; I137-M140 VanDerWaalsContact CG2-SD 3.51Å; F138-M140 VanDerWaalsContact C-N 3.32Å; F138-M140 PolarHBondContact O-N 3.23Å; M140-P142 WeakPolarHBondContact O-CD 3.4Å; M140-Y146 HydrophobicContact CB-CE2 3.94Å; M140-Y146 HydrophobicContact CE-CD1 3.76Å; M140-Y146 HydrophobicContact CE-CD2 3.46Å; M140-Y146 VanDerWaalsContact CE-CD2 3.46Å; M140-Y146 HydrophobicContact CE-CE1 4.15Å; M140-Y146 HydrophobicContact CE-CE2 3.87Å; M140-Y146 HydrophobicContact CE-CG 3.38Å; M140-W196 HydrophobicContact CE-CB 4.17Å; M140-W196 HydrophobicContact CE-CG 4.28Å; M140-W196 HydrophobicContact SD-CB 3.55Å; M140-W196 VanDerWaalsContact SD-CB 3.55Å; M140-W196 HydrophobicContact SD-CG 4.28Å; M140-M197 HydrophobicContact CB-CE 3.99Å; M140-M197 HydrophobicContact CB-CG 4.09Å; M140-M197 HydrophobicContact CB-SD 3.74Å; M140-M197 HydrophobicContact CG-CG 3.8Å; M140-M197 HydrophobicContact CG-SD 3.89Å; M140-M197 PolarHBondContact N-SD 2.72Å; M140-M197 VanDerWaalsContact N-SD 3.37Å; M140-M197 WeakPolarHBondContact O-CE 3.38Å; M140-M197 HydrophobicContact SD-CG 3.88Å; M140-V233 HydrophobicContact CE-CG1 3.79Å | ||
| 141 | D | 95.4 | Very high | 96.8 | Very high | 41 Ų | 41 | 29.9 Ų | 29.9 | 22% | 0.219 | 16% | 0.163 | C | C | . | . | trans | -71.7 | 122.2 | 167 | 172.1 | -3.4 | 0 | 0 | 0 | 109.4 | K96 M143 A144 Y146 G193 | K96-D141 HydrophobicContact CD-CB 4.05Å; K96-D141 WeakPolarHBondContact CE-OD2 3.46Å; K96-D141 IonicContact NZ-OD2 2.63Å; K96-D141 PolarHBondContact NZ-OD2 2.88Å; D141-M143 PolarHBondContact O-N 3.24Å; D141-M143 VanDerWaalsContact O-N 3.15Å; D141-M143 PolarHBondContact OD1-N 3.11Å; D141-A144 HydrophobicContact CB-CB 3.76Å; D141-A144 PolarHBondContact O-N 2.96Å; D141-Y146 PolarHBondContact N-OH 2.93Å; D141-G193 WeakPolarHBondContact O-CA 3.42Å | ||
| 142 | P | 96.2 | Very high | 96.7 | Very high | 62 Ų | 62 | 30.8 Ų | 30.8 | 40% | 0.403 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -34.5 | 178.3 | -29.3 | 37.4 | 0 | 0 | 0 | 114.8 | M140 A194 M197 | M140-P142 WeakPolarHBondContact O-CD 3.4Å; P142-A194 HydrophobicContact CB-CB 4.02Å; P142-A194 VanDerWaalsContact O-CB 3.31Å; P142-A194 WeakPolarHBondContact O-CB 3.42Å; P142-A194 PolarHBondContact O-N 3.08Å; P142-A194 VanDerWaalsContact O-N 3.14Å; P142-M197 HydrophobicContact CG-CE 4.35Å |
| 143 | M | 95 | Very high | 96.6 | Very high | 137 Ų | 137 | 31.4 Ų | 31.4 | 68% | 0.675 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -15.3 | -171.2 | -63.4 | -65.8 | 101.1 | 0 | 0 | 114.1 | D141 K192 | D141-M143 PolarHBondContact O-N 3.24Å; D141-M143 VanDerWaalsContact O-N 3.15Å; D141-M143 PolarHBondContact OD1-N 3.11Å; M143-K192 VanDerWaalsContact O-CD 3.26Å; M143-K192 WeakPolarHBondContact O-CD 3.21Å; M143-K192 PolarHBondContact O-NZ 2.94Å |
| 144 | A | 94 | Very high | 96.5 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 7% | 0.066 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -77.6 | 148.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | D141 Y146 K192 G193 Y235 | D141-A144 HydrophobicContact CB-CB 3.76Å; D141-A144 PolarHBondContact O-N 2.96Å; A144-Y146 HydrophobicContact CB-CD2 4.31Å; A144-Y146 HydrophobicContact CB-CE2 3.59Å; A144-Y146 WeakPolarHBondContact O-CD2 3.43Å; A144-K192 CarbonylContact O-C 3.57Å; A144-K192 VanDerWaalsContact O-CA 3.31Å; A144-K192 WeakPolarHBondContact O-CA 3.5Å; A144-G193 PolarHBondContact O-N 2.89Å; A144-Y235 HydrophobicContact CB-CD2 3.98Å; A144-Y235 HydrophobicContact CB-CE2 3.74Å |
| 145 | D | 94.9 | Very high | 96.5 | Very high | 49 Ų | 49 | 36 Ų | 36 | 26% | 0.262 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 139.6 | 172.1 | -62.1 | -67.3 | 0 | 0 | 0 | 110.7 | K192 V236 | D145-K192 WeakPolarHBondContact OD1-CD 3.49Å; D145-K192 WeakPolarHBondContact OD1-CE 3.49Å; D145-K192 IonicContact OD1-NZ 3.12Å; D145-K192 PolarHBondContact OD1-NZ 2.74Å; D145-K192 VanDerWaalsContact OD1-NZ 3.12Å; D145-K192 IonicContact OD2-NZ 2.67Å; D145-K192 PolarHBondContact OD2-NZ 2.84Å; D145-V236 HydrophobicContact CB-CB 4.13Å; D145-V236 PolarHBondContact O-N 2.96Å |
| 146 | Y | 95.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 143.8 | 179.4 | -61.3 | -94.5 | 0 | 0 | 0 | 111 | K96 V97 I100 M140 D141 A144 P190 A191 W196 V233 V234 Y235 | K96-Y146 WeakPolarHBondContact O-CE1 3.49Å; K96-Y146 PolarHBondContact O-OH 3.25Å; V97-Y146 HydrophobicContact CG1-CE1 4.15Å; I100-Y146 HydrophobicContact CD1-CD1 4.33Å; I100-Y146 HydrophobicContact CD1-CE1 3.65Å; M140-Y146 HydrophobicContact CB-CE2 3.94Å; M140-Y146 HydrophobicContact CE-CD1 3.76Å; M140-Y146 HydrophobicContact CE-CD2 3.46Å; M140-Y146 VanDerWaalsContact CE-CD2 3.46Å; M140-Y146 HydrophobicContact CE-CE1 4.15Å; M140-Y146 HydrophobicContact CE-CE2 3.87Å; M140-Y146 HydrophobicContact CE-CG 3.38Å; D141-Y146 PolarHBondContact N-OH 2.93Å; A144-Y146 HydrophobicContact CB-CD2 4.31Å; A144-Y146 HydrophobicContact CB-CE2 3.59Å; A144-Y146 WeakPolarHBondContact O-CD2 3.43Å; Y146-P190 WeakPolarHBondContact O-CA 3.44Å; Y146-A191 PolarHBondContact N-O 2.83Å; Y146-A191 PolarHBondContact O-N 2.67Å; Y146-W196 PolarHBondContact O-NE1 3.16Å; Y146-V233 HydrophobicContact CD1-CG1 3.83Å; Y146-V233 HydrophobicContact CE1-CG1 4.42Å; Y146-V233 HydrophobicContact CG-CG1 4.49Å; Y146-V234 CarbonylContact C-O 3.6Å; Y146-V234 WeakPolarHBondContact CA-O 3.31Å; Y146-Y235 HydrophobicContact CE1-CD2 4.24Å |
| 147 | M | 95.9 | Very high | 96.3 | Very high | 14 Ų | 14 | 38.5 Ų | 38.5 | 7% | 0.069 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 140.2 | 164.5 | -63.7 | -176 | -65.9 | 0 | 0 | 109.5 | M10 Y185 P190 V234 V236 | M10-M147 HydrophobicContact CB-CE 4.37Å; M10-M147 HydrophobicContact SD-CE 3.8Å; M10-M147 HydrophobicContact SD-SD 4.38Å; M147-Y185 HydrophobicContact CB-CE1 4.48Å; M147-Y185 HydrophobicContact SD-CD1 4.47Å; M147-Y185 HydrophobicContact SD-CE1 3.87Å; M147-P190 HydrophobicContact CG-CB 3.9Å; M147-V234 HydrophobicContact CB-CB 4.43Å; M147-V234 HydrophobicContact CE-CG1 4.27Å; M147-V234 PolarHBondContact N-O 3.37Å; M147-V234 PolarHBondContact O-N 3.36Å; M147-V236 HydrophobicContact CE-CG2 4.22Å; M147-V236 HydrophobicContact CG-CG2 3.75Å; M147-V236 HydrophobicContact SD-CG2 4.44Å |
| 148 | L | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.1 | 173.8 | -60.8 | -171.4 | 0 | 0 | 0 | 109.2 | I137 H186 S189 W196 V201 F203 F231 V233 | I137-L148 HydrophobicContact CD1-CD1 3.56Å; I137-L148 HydrophobicContact CD1-CD2 4.22Å; L148-H186 HydrophobicContact CB-CB 4.02Å; L148-H186 PolarHBondContact O-N 2.79Å; L148-S189 PolarHBondContact N-OG 3.33Å; L148-S189 PolarHBondContact O-OG 2.76Å; L148-W196 HydrophobicContact CB-CH2 4.3Å; L148-W196 HydrophobicContact CB-CZ2 4.3Å; L148-W196 HydrophobicContact CD1-CD2 3.47Å; L148-W196 VanDerWaalsContact CD1-CD2 3.47Å; L148-W196 HydrophobicContact CD1-CE3 3.35Å; L148-W196 HydrophobicContact CD1-CG 4.09Å; L148-W196 HydrophobicContact CD1-CH2 3.94Å; L148-W196 HydrophobicContact CD1-CZ2 4.04Å; L148-W196 HydrophobicContact CD1-CZ3 3.61Å; L148-W196 HydrophobicContact CG-CD2 3.93Å; L148-W196 HydrophobicContact CG-CE3 4.19Å; L148-W196 HydrophobicContact CG-CH2 4.08Å; L148-W196 HydrophobicContact CG-CZ2 3.81Å; L148-W196 HydrophobicContact CG-CZ3 4.27Å; L148-V201 HydrophobicContact CD1-CB 4.46Å; L148-V201 HydrophobicContact CD1-CG1 3.82Å; L148-V201 HydrophobicContact CD1-CG2 4.02Å; L148-F203 HydrophobicContact CB-CZ 4.4Å; L148-F231 HydrophobicContact CB-CE2 4.1Å; L148-F231 HydrophobicContact CB-CZ 4.41Å; L148-F231 HydrophobicContact CD1-CE2 4.33Å; L148-F231 HydrophobicContact CD1-CZ 4.05Å; L148-F231 HydrophobicContact CD2-CE2 4.31Å; L148-F231 HydrophobicContact CD2-CZ 3.8Å; L148-F231 HydrophobicContact CG-CE2 4.49Å; L148-F231 HydrophobicContact CG-CZ 4.32Å; L148-V233 HydrophobicContact CD2-CB 4.1Å; L148-V233 HydrophobicContact CD2-CG1 3.91Å; L148-V233 HydrophobicContact CD2-CG2 3.77Å |
| 149 | L | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 159.3 | 178.9 | 64.7 | 87.4 | 0 | 0 | 0 | 112 | T14 L18 V183 H184 Y185 H232 V234 | T14-L149 HydrophobicContact CG2-CD2 4.42Å; L18-L149 HydrophobicContact CD1-CD1 3.95Å; L149-V183 HydrophobicContact CD1-CB 4.22Å; L149-V183 HydrophobicContact CD1-CG1 4.16Å; L149-H184 CarbonylContact C-O 3.59Å; L149-H184 VanDerWaalsContact CA-O 3.31Å; L149-H184 WeakPolarHBondContact CA-O 3.26Å; L149-Y185 HydrophobicContact CB-CD1 4.12Å; L149-Y185 HydrophobicContact CB-CE1 4.48Å; L149-Y185 HydrophobicContact CB-CG 4.26Å; L149-Y185 HydrophobicContact CD2-CD1 4.18Å; L149-Y185 HydrophobicContact CD2-CE1 3.7Å; L149-H232 HydrophobicContact CD1-CB 3.73Å; L149-H232 HydrophobicContact CG-CB 4.04Å; L149-H232 PolarHBondContact N-O 2.79Å; L149-H232 VanDerWaalsContact N-O 3.11Å; L149-H232 PolarHBondContact O-N 3.13Å; L149-V234 HydrophobicContact CD2-CG2 4.3Å |
| 150 | M | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 146.8 | 172 | -70.6 | -172.7 | 73.2 | 0 | 0 | 111.4 | M129 F133 F152 V183 H184 F203 L206 P229 R230 F231 | M129-M150 HydrophobicContact CE-CE 4.46Å; F133-M150 HydrophobicContact CB-CE 3.99Å; F133-M150 HydrophobicContact CB-SD 4.06Å; F133-M150 HydrophobicContact CD1-CE 3.57Å; F133-M150 HydrophobicContact CD1-SD 3.44Å; F133-M150 WeakPolarHBondContact CD1-SD 3.28Å; F133-M150 HydrophobicContact CD2-CE 3.63Å; F133-M150 HydrophobicContact CE1-CE 3.87Å; F133-M150 HydrophobicContact CE1-SD 3.96Å; F133-M150 HydrophobicContact CE2-CE 3.92Å; F133-M150 HydrophobicContact CG-CE 3.44Å; F133-M150 VanDerWaalsContact CG-CE 3.44Å; F133-M150 HydrophobicContact CG-SD 3.77Å; F133-M150 HydrophobicContact CZ-CE 4.03Å; M150-F152 HydrophobicContact CE-CZ 4.32Å; M150-V183 WeakPolarHBondContact O-CA 3.3Å; M150-H184 PolarHBondContact N-O 2.89Å; M150-H184 PolarHBondContact O-N 3.18Å; M150-F203 HydrophobicContact CG-CD1 3.99Å; M150-F203 HydrophobicContact CG-CD2 4.17Å; M150-F203 HydrophobicContact CG-CE1 3.84Å; M150-F203 HydrophobicContact CG-CE2 4.05Å; M150-F203 HydrophobicContact CG-CG 4.14Å; M150-F203 HydrophobicContact CG-CZ 3.88Å; M150-F203 HydrophobicContact SD-CB 3.85Å; M150-F203 HydrophobicContact SD-CD1 3.88Å; M150-F203 HydrophobicContact SD-CD2 3.64Å; M150-F203 HydrophobicContact SD-CE1 4.31Å; M150-F203 HydrophobicContact SD-CE2 4.12Å; M150-F203 HydrophobicContact SD-CG 3.5Å; M150-F203 WeakPolarHBondContact SD-CG 3.23Å; M150-F203 HydrophobicContact SD-CZ 4.42Å; M150-L206 HydrophobicContact CB-CD1 4.04Å; M150-L206 HydrophobicContact CG-CD1 4.41Å; M150-L206 HydrophobicContact SD-CD1 3.73Å; M150-P229 HydrophobicContact CE-CB 3.78Å; M150-R230 VanDerWaalsContact CA-O 3.3Å; M150-R230 WeakPolarHBondContact CA-O 3.45Å; M150-F231 HydrophobicContact CG-CD2 4.27Å |
| 151 | D | 96.4 | Very high | 96.4 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 5% | 0.053 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 174.5 | 163.2 | 84.7 | -26.7 | 0 | 0 | 0 | 110.9 | V183 R230 H232 | D151-V183 HydrophobicContact CB-CG1 4.21Å; D151-R230 PolarHBondContact N-O 2.89Å; D151-R230 VanDerWaalsContact N-O 3.14Å; D151-R230 PolarHBondContact O-N 3.43Å; D151-R230 WeakPolarHBondContact OD1-CB 3.41Å; D151-R230 IonicContact OD1-CZ 3.21Å; D151-R230 IonicContact OD1-NE 3.71Å; D151-R230 PolarHBondContact OD1-NE 3.32Å; D151-R230 IonicContact OD1-NH2 2.67Å; D151-R230 PolarHBondContact OD1-NH2 2.92Å; D151-R230 IonicContact OD2-CZ 2.72Å; D151-R230 IonicContact OD2-NE 3.59Å; D151-R230 IonicContact OD2-NH2 2.93Å; D151-R230 PolarHBondContact OD2-NH2 3.34Å; D151-H232 WeakPolarHBondContact CB-NE2 3.3Å; D151-H232 IonicContact OD1-CD2 2.67Å; D151-H232 IonicContact OD1-CE1 2.76Å; D151-H232 CovalentContact OD1-NE2 1.76Å; D151-H232 IonicContact OD1-NE2 3.75Å; D151-H232 PolarHBondContact OD1-NE2 3.15Å; D151-H232 IonicContact OD2-NE2 3.78Å; D151-H232 PolarHBondContact OD2-NE2 3.11Å |
| 152 | F | 97.4 | Very high | 96.6 | Very high | 21 Ų | 21 | 46.7 Ų | 46.7 | 9% | 0.092 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 114 | -173.2 | -66.2 | -102.8 | 0 | 0 | 0 | 109.2 | M129 M150 L206 L208 I219 L221 Y227 P229 F260 | M129-F152 HydrophobicContact CE-CZ 4.1Å; M129-F152 HydrophobicContact SD-CE1 3.75Å; M129-F152 HydrophobicContact SD-CZ 3.74Å; M150-F152 HydrophobicContact CE-CZ 4.32Å; F152-L206 HydrophobicContact CE2-CD1 4.02Å; F152-L206 HydrophobicContact CE2-CD2 4.01Å; F152-L206 HydrophobicContact CZ-CD1 4.07Å; F152-L206 HydrophobicContact CZ-CD2 3.83Å; F152-L208 HydrophobicContact CE1-CD2 4.13Å; F152-L208 HydrophobicContact CE2-CD2 4.33Å; F152-L208 HydrophobicContact CZ-CD2 3.94Å; F152-I219 HydrophobicContact CB-CG2 4.45Å; F152-I219 HydrophobicContact CD2-CB 4.4Å; F152-I219 HydrophobicContact CD2-CD1 4.16Å; F152-I219 HydrophobicContact CD2-CG1 4.08Å; F152-I219 HydrophobicContact CD2-CG2 3.62Å; F152-I219 HydrophobicContact CE2-CB 4.46Å; F152-I219 HydrophobicContact CE2-CD1 4.3Å; F152-I219 HydrophobicContact CE2-CG1 3.9Å; F152-I219 HydrophobicContact CE2-CG2 4.11Å; F152-I219 HydrophobicContact CG-CG2 4.12Å; F152-L221 HydrophobicContact CB-CD2 4.1Å; F152-Y227 HydrophobicContact CB-CD1 4.49Å; F152-P229 HydrophobicContact CD1-CB 4.29Å; F152-P229 HydrophobicContact CD1-CG 4.17Å; F152-P229 HydrophobicContact CE1-CB 4.05Å; F152-P229 HydrophobicContact CE1-CG 3.92Å; F152-F260 AromaticContact CD1-CE1 3.72Å; F152-F260 HydrophobicContact CD1-CE1 3.72Å; F152-F260 AromaticContact CD1-CZ 3.84Å; F152-F260 HydrophobicContact CD1-CZ 3.84Å; F152-F260 AromaticContact CE1-CE1 3.73Å; F152-F260 HydrophobicContact CE1-CE1 3.73Å; F152-F260 AromaticContact CE1-CZ 3.96Å; F152-F260 HydrophobicContact CE1-CZ 3.96Å |
| 153 | L | 95.4 | Very high | 96.6 | Very high | 46 Ų | 46 | 44 Ų | 44 | 24% | 0.241 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 143.5 | 173.8 | -65.4 | -169.1 | 0 | 0 | 0 | 111.1 | N22 Y227 Q228 R230 | N22-L153 HydrophobicContact CB-CD2 4.44Å; N22-L153 VanDerWaalsContact ND2-CD2 3.32Å; N22-L153 WeakPolarHBondContact ND2-CD2 3Å; L153-Y227 CarbonylContact O-C 3.51Å; L153-Y227 WeakPolarHBondContact O-CA 3.36Å; L153-Y227 WeakPolarHBondContact O-CD1 3.47Å; L153-Q228 PolarHBondContact N-O 3.05Å; L153-Q228 PolarHBondContact O-N 2.85Å; L153-R230 HydrophobicContact CG-CG 4.3Å |
| 154 | P | 96.4 | Very high | 96.6 | Very high | 80 Ų | 80 | 43.8 Ų | 43.8 | 52% | 0.519 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 138.4 | 158.9 | 29.7 | -33.5 | 0 | 0 | 0 | 109.4 | R226 Y227 | P154-R226 WeakPolarHBondContact CA-O 3.45Å; P154-Y227 HydrophobicContact CB-CE1 4.33Å |
| 155 | V | 97.1 | Very high | 96.6 | Very high | 63 Ų | 63 | 51.5 Ų | 51.5 | 38% | 0.382 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -78 | -36.1 | 178.2 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | R226 Q228 | V155-R226 HydrophobicContact CB-CB 3.86Å; V155-R226 HydrophobicContact CG2-CB 4.03Å; V155-R226 PolarHBondContact N-O 3.35Å; V155-Q228 HydrophobicContact CG2-CB 4.03Å |
| 156 | D | 96.3 | Very high | 96.6 | Very high | 38 Ų | 38 | 52 Ų | 52 | 20% | 0.203 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -154.8 | 164.6 | 174.4 | 50.6 | 14.7 | 0 | 0 | 0 | 112.7 | K158 Y160 | D156-K158 HydrophobicContact CB-CD 4.42Å; D156-K158 HydrophobicContact CB-CG 4.38Å; D156-K158 PolarHBondContact O-N 3.29Å; D156-K158 WeakPolarHBondContact OD2-CD 3.38Å; D156-K158 IonicContact OD2-NZ 3.23Å; D156-K158 PolarHBondContact OD2-NZ 3.38Å; D156-Y160 PolarHBondContact OD2-OH 3.23Å; D156-Y160 VanDerWaalsContact OD2-OH 3.13Å |
| 157 | D | 96.5 | Very high | 96.5 | Very high | 98 Ų | 98 | 55.3 Ų | 55.3 | 52% | 0.524 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -78.3 | 44.3 | 177.5 | -173.1 | 30 | 0 | 0 | 0 | 111.7 | K174 A175 | D157-K174 VanDerWaalsContact CG-CE 3.47Å; D157-K174 WeakPolarHBondContact OD1-CE 3.41Å; D157-K174 WeakPolarHBondContact OD2-CE 3.23Å; D157-K174 IonicContact OD2-NZ 3.44Å; D157-A175 VanDerWaalsContact C-CB 3.48Å; D157-A175 PolarHBondContact O-N 3.11Å |
| 158 | K | 97.1 | Very high | 96.5 | Very high | 85 Ų | 85 | 56.5 Ų | 56.5 | 37% | 0.37 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 139.8 | -174.2 | -62.1 | 176.3 | -158.1 | 140.7 | 0 | 112.5 | D156 Y160 V171 H225 | D156-K158 HydrophobicContact CB-CD 4.42Å; D156-K158 HydrophobicContact CB-CG 4.38Å; D156-K158 PolarHBondContact O-N 3.29Å; D156-K158 WeakPolarHBondContact OD2-CD 3.38Å; D156-K158 IonicContact OD2-NZ 3.23Å; D156-K158 PolarHBondContact OD2-NZ 3.38Å; K158-Y160 HydrophobicContact CB-CE2 3.94Å; K158-V171 HydrophobicContact CB-CG1 4.33Å; K158-V171 HydrophobicContact CD-CG1 4.28Å; K158-V171 HydrophobicContact CD-CG2 3.96Å; K158-V171 HydrophobicContact CG-CG1 4.39Å; K158-H225 PolarHBondContact O-CD2 3.05Å |
| 159 | R | 97.9 | Very high | 96.4 | Very high | 106 Ų | 106 | 58.5 Ų | 58.5 | 40% | 0.4 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 138.3 | 169 | -174.4 | 167.5 | 172.6 | 176.2 | -3.9 | 109.7 | A172 G173 K174 D176 | R159-A172 PolarHBondContact O-N 3.21Å; R159-G173 PolarHBondContact N-O 3.03Å; R159-G173 PolarHBondContact O-N 3.02Å; R159-K174 WeakPolarHBondContact CB-O 3.41Å; R159-D176 WeakPolarHBondContact CD-OD1 3.2Å; R159-D176 IonicContact CZ-OD1 3.96Å; R159-D176 IonicContact CZ-OD2 3.7Å; R159-D176 IonicContact NE-OD1 2.71Å; R159-D176 IonicContact NE-OD2 3.01Å; R159-D176 VanDerWaalsContact NH1-CG 3.26Å; R159-D176 IonicContact NH1-OD1 3.1Å; R159-D176 PolarHBondContact NH1-OD1 3.29Å; R159-D176 IonicContact NH1-OD2 3.67Å; R159-D176 PolarHBondContact NH1-OD2 3.39Å |
| 160 | Y | 98.3 | Very high | 96.5 | Very high | 14 Ų | 14 | 61.8 Ų | 61.8 | 6% | 0.055 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 163.1 | -173.3 | -75.8 | -90.2 | 0 | 0 | 0 | 113.6 | D156 K158 W169 L170 V171 M224 R226 | D156-Y160 PolarHBondContact OD2-OH 3.23Å; D156-Y160 VanDerWaalsContact OD2-OH 3.13Å; K158-Y160 HydrophobicContact CB-CE2 3.94Å; Y160-W169 HydrophobicContact CD1-CB 4.48Å; Y160-L170 CarbonylContact C-O 3.55Å; Y160-L170 WeakPolarHBondContact CA-O 3.24Å; Y160-L170 WeakPolarHBondContact CD1-O 3.4Å; Y160-V171 HydrophobicContact CE1-CG2 3.92Å; Y160-M224 WeakPolarHBondContact CB-O 3.47Å; Y160-M224 PolarHBondContact N-O 3.3Å; Y160-M224 WeakPolarHBondContact O-CB 3.37Å; Y160-R226 HydrophobicContact CD2-CG 4.04Å; Y160-R226 HydrophobicContact CE2-CB 4.45Å; Y160-R226 HydrophobicContact CE2-CG 3.8Å; Y160-R226 PolarHBondContact OH-NH1 2.96Å; Y160-R226 VanDerWaalsContact OH-NH1 3.11Å |
| 161 | R | 97.8 | Very high | 96.5 | Very high | 138 Ų | 138 | 65.7 Ų | 65.7 | 52% | 0.521 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 137.2 | 167.6 | -179.9 | 177.6 | 68.4 | -114.9 | -0.8 | 109.1 | L170 A172 | R161-L170 PolarHBondContact N-O 2.83Å; R161-L170 PolarHBondContact O-N 2.91Å; R161-A172 HydrophobicContact CB-CB 3.91Å |
| 162 | Y | 98 | Very high | 96.5 | Very high | 11 Ų | 11 | 67.5 Ų | 67.5 | 4% | 0.043 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 136.9 | 172.3 | -166.5 | -104.9 | 0 | 0 | 0 | 110.5 | F164 S167 W169 Q267 N268 | Y162-F164 AromaticContact CD1-CD1 3.8Å; Y162-F164 HydrophobicContact CD1-CD1 3.8Å; Y162-F164 HydrophobicContact CD1-CD2 4.44Å; Y162-F164 AromaticContact CD1-CE1 3.8Å; Y162-F164 HydrophobicContact CD1-CE1 3.8Å; Y162-F164 HydrophobicContact CD1-CE2 4.43Å; Y162-F164 HydrophobicContact CD1-CG 4.13Å; Y162-F164 HydrophobicContact CD1-CZ 4.12Å; Y162-F164 AromaticContact CE1-CD1 3.89Å; Y162-F164 HydrophobicContact CE1-CD1 3.89Å; Y162-F164 HydrophobicContact CE1-CE1 4.14Å; Y162-F164 HydrophobicContact CE1-CG 4.43Å; Y162-S167 VanDerWaalsContact OH-CA 3.29Å; Y162-S167 WeakPolarHBondContact OH-CA 3.4Å; Y162-S167 WeakPolarHBondContact OH-CB 3.37Å; Y162-S167 PolarHBondContact OH-O 2.7Å; Y162-W169 AromaticContact CD2-CD2 3.9Å; Y162-W169 HydrophobicContact CD2-CD2 3.9Å; Y162-W169 AromaticContact CD2-CE2 3.79Å; Y162-W169 HydrophobicContact CD2-CE3 4.45Å; Y162-W169 HydrophobicContact CD2-CG 4.09Å; Y162-W169 HydrophobicContact CD2-CZ2 4.27Å; Y162-W169 AromaticContact CD2-NE1 3.86Å; Y162-Q267 HydrophobicContact CD1-CB 3.87Å; Y162-Q267 HydrophobicContact CD2-CB 4.19Å; Y162-Q267 HydrophobicContact CG-CB 3.65Å; Y162-N268 HydrophobicContact CE2-CB 4.03Å |
| 163 | A | 97 | Very high | 96.5 | Very high | 7 Ų | 7 | 68.2 Ų | 68.2 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 96.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | H165 S166 S167 S168 L170 | A163-H165 VanDerWaalsContact C-N 3.32Å; A163-H165 PolarHBondContact O-N 3.26Å; A163-S166 WeakPolarHBondContact CB-OG 3.42Å; A163-S166 CarbonylContact O-C 3.59Å; A163-S166 PolarHBondContact O-N 3.01Å; A163-S166 VanDerWaalsContact O-N 3.1Å; A163-S166 PolarHBondContact O-OG 3.14Å; A163-S167 WeakPolarHBondContact O-CA 3.21Å; A163-S167 PolarHBondContact O-N 2.95Å; A163-S168 PolarHBondContact N-O 2.98Å; A163-S168 PolarHBondContact O-N 3.47Å; A163-L170 HydrophobicContact CB-CD1 3.69Å; A163-L170 HydrophobicContact CB-CG 3.99Å |
| 164 | F | 95 | Very high | 96.5 | Very high | 132 Ų | 132 | 73.3 Ų | 73.3 | 58% | 0.579 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -57.3 | -40.7 | -172.8 | -65.6 | -83.3 | 0 | 0 | 0 | 113.5 | Y162 S166 S167 Q267 | Y162-F164 AromaticContact CD1-CD1 3.8Å; Y162-F164 HydrophobicContact CD1-CD1 3.8Å; Y162-F164 HydrophobicContact CD1-CD2 4.44Å; Y162-F164 AromaticContact CD1-CE1 3.8Å; Y162-F164 HydrophobicContact CD1-CE1 3.8Å; Y162-F164 HydrophobicContact CD1-CE2 4.43Å; Y162-F164 HydrophobicContact CD1-CG 4.13Å; Y162-F164 HydrophobicContact CD1-CZ 4.12Å; Y162-F164 AromaticContact CE1-CD1 3.89Å; Y162-F164 HydrophobicContact CE1-CD1 3.89Å; Y162-F164 HydrophobicContact CE1-CE1 4.14Å; Y162-F164 HydrophobicContact CE1-CG 4.43Å; F164-S166 PolarHBondContact O-N 3.27Å; F164-S167 PolarHBondContact O-N 3.23Å; F164-Q267 WeakPolarHBondContact CE1-O 3.18Å |
| 165 | H | 93.9 | Very high | 96.5 | Very high | 170 Ų | 170 | 70.5 Ų | 70.5 | 79% | 0.787 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -63.5 | -19.4 | 179.6 | 62 | 74.4 | 0 | 0 | 0 | 114.3 | A163 | A163-H165 VanDerWaalsContact C-N 3.32Å; A163-H165 PolarHBondContact O-N 3.26Å |
| 166 | S | 93.8 | Very high | 96.3 | Very high | 60 Ų | 60 | 70.1 Ų | 70.1 | 42% | 0.42 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -120.3 | 4.6 | 176.7 | 53.9 | 0 | 0 | 0 | 0 | 113 | A163 F164 S168 | A163-S166 WeakPolarHBondContact CB-OG 3.42Å; A163-S166 CarbonylContact O-C 3.59Å; A163-S166 PolarHBondContact O-N 3.01Å; A163-S166 VanDerWaalsContact O-N 3.1Å; A163-S166 PolarHBondContact O-OG 3.14Å; F164-S166 PolarHBondContact O-N 3.27Å; S166-S168 PolarHBondContact O-N 3.11Å; S166-S168 VanDerWaalsContact O-N 3.15Å; S166-S168 PolarHBondContact OG-OG 2.92Å |
| 167 | S | 94.5 | Very high | 96.1 | Very high | 69 Ų | 69 | 73.9 Ų | 73.9 | 48% | 0.483 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41 | 46 | -173.4 | -70.4 | 0 | 0 | 0 | 0 | 114.1 | Y162 A163 F164 | Y162-S167 VanDerWaalsContact OH-CA 3.29Å; Y162-S167 WeakPolarHBondContact OH-CA 3.4Å; Y162-S167 WeakPolarHBondContact OH-CB 3.37Å; Y162-S167 PolarHBondContact OH-O 2.7Å; A163-S167 WeakPolarHBondContact O-CA 3.21Å; A163-S167 PolarHBondContact O-N 2.95Å; F164-S167 PolarHBondContact O-N 3.23Å |
| 168 | S | 95.3 | Very high | 95.6 | Very high | 39 Ų | 39 | 73.7 Ų | 73.7 | 27% | 0.273 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 153.7 | -170.5 | 65.1 | 0 | 0 | 0 | 0 | 113.9 | A163 S166 | A163-S168 PolarHBondContact N-O 2.98Å; A163-S168 PolarHBondContact O-N 3.47Å; S166-S168 PolarHBondContact O-N 3.11Å; S166-S168 VanDerWaalsContact O-N 3.15Å; S166-S168 PolarHBondContact OG-OG 2.92Å |
| 169 | W | 97.2 | Very high | 94.9 | Very high | 42 Ų | 42 | 70.9 Ų | 70.9 | 16% | 0.159 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 116.7 | 176.3 | -78.4 | 103.3 | 0 | 0 | 0 | 111 | E119 Y160 Y162 M224 T261 V263 Q267 | E119-W169 HydrophobicContact CG-CZ2 4.03Å; Y160-W169 HydrophobicContact CD1-CB 4.48Å; Y162-W169 AromaticContact CD2-CD2 3.9Å; Y162-W169 HydrophobicContact CD2-CD2 3.9Å; Y162-W169 AromaticContact CD2-CE2 3.79Å; Y162-W169 HydrophobicContact CD2-CE3 4.45Å; Y162-W169 HydrophobicContact CD2-CG 4.09Å; Y162-W169 HydrophobicContact CD2-CZ2 4.27Å; Y162-W169 AromaticContact CD2-NE1 3.86Å; W169-M224 HydrophobicContact CH2-CE 4.02Å; W169-M224 HydrophobicContact CZ3-CE 3.71Å; W169-T261 HydrophobicContact CH2-CG2 3.69Å; W169-T261 HydrophobicContact CZ2-CG2 4.16Å; W169-T261 HydrophobicContact CZ3-CG2 3.92Å; W169-V263 HydrophobicContact CH2-CG1 3.91Å; W169-V263 HydrophobicContact CZ2-CG1 4.45Å; W169-Q267 HydrophobicContact CH2-CB 4.33Å; W169-Q267 HydrophobicContact CH2-CG 3.82Å; W169-Q267 HydrophobicContact CZ2-CB 4.24Å; W169-Q267 HydrophobicContact CZ2-CG 4.19Å |
| 170 | L | 97.4 | Very high | 94.1 | Very high | 69 Ų | 69 | 70 Ų | 70 | 36% | 0.361 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 149.9 | 176.7 | -56.8 | -177.2 | 0 | 0 | 0 | 111.1 | Y160 R161 A163 | Y160-L170 CarbonylContact C-O 3.55Å; Y160-L170 WeakPolarHBondContact CA-O 3.24Å; Y160-L170 WeakPolarHBondContact CD1-O 3.4Å; R161-L170 PolarHBondContact N-O 2.83Å; R161-L170 PolarHBondContact O-N 2.91Å; A163-L170 HydrophobicContact CB-CD1 3.69Å; A163-L170 HydrophobicContact CB-CG 3.99Å |
| 171 | V | 98 | Very high | 93.1 | Very high | 81 Ų | 81 | 72.5 Ų | 72.5 | 49% | 0.491 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 129.9 | 167.4 | 180 | 0 | 0 | 0 | 0 | 108.4 | K158 Y160 | K158-V171 HydrophobicContact CB-CG1 4.33Å; K158-V171 HydrophobicContact CD-CG1 4.28Å; K158-V171 HydrophobicContact CD-CG2 3.96Å; K158-V171 HydrophobicContact CG-CG1 4.39Å; Y160-V171 HydrophobicContact CE1-CG2 3.92Å |
| 172 | A | 96.8 | Very high | 92.8 | Very high | 49 Ų | 49 | 69.3 Ų | 69.3 | 41% | 0.405 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -23.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | R159 R161 | R159-A172 PolarHBondContact O-N 3.21Å; R161-A172 HydrophobicContact CB-CB 3.91Å |
| 173 | G | 96.6 | Very high | 92.6 | Very high | 35 Ų | 35 | 70 Ų | 70 | 36% | 0.361 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.7 | -166.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R159 | R159-G173 PolarHBondContact N-O 3.03Å; R159-G173 PolarHBondContact O-N 3.02Å |
| 174 | K | 96.8 | Very high | 92.5 | Very high | 154 Ų | 154 | 71.5 Ų | 71.5 | 67% | 0.67 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62 | 155.4 | 167.4 | -163.9 | -178.3 | -175.2 | -172.2 | 0 | 110.5 | D157 R159 | D157-K174 VanDerWaalsContact CG-CE 3.47Å; D157-K174 WeakPolarHBondContact OD1-CE 3.41Å; D157-K174 WeakPolarHBondContact OD2-CE 3.23Å; D157-K174 IonicContact OD2-NZ 3.44Å; R159-K174 WeakPolarHBondContact CB-O 3.41Å |
| 175 | A | 96 | Very high | 92.6 | Very high | 21 Ų | 21 | 67.3 Ų | 67.3 | 17% | 0.174 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 152.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | D157 H225 | D157-A175 VanDerWaalsContact C-CB 3.48Å; D157-A175 PolarHBondContact O-N 3.11Å; A175-H225 VanDerWaalsContact CA-NE2 3.3Å; A175-H225 WeakPolarHBondContact CA-NE2 3.33Å |
| 176 | D | 93.2 | Very high | 92.7 | Very high | 54 Ų | 54 | 59.9 Ų | 59.9 | 29% | 0.289 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 151 | 163.2 | -60.2 | -27.4 | 0 | 0 | 0 | 109.3 | R159 A178 N222 H225 | R159-D176 WeakPolarHBondContact CD-OD1 3.2Å; R159-D176 IonicContact CZ-OD1 3.96Å; R159-D176 IonicContact CZ-OD2 3.7Å; R159-D176 IonicContact NE-OD1 2.71Å; R159-D176 IonicContact NE-OD2 3.01Å; R159-D176 VanDerWaalsContact NH1-CG 3.26Å; R159-D176 IonicContact NH1-OD1 3.1Å; R159-D176 PolarHBondContact NH1-OD1 3.29Å; R159-D176 IonicContact NH1-OD2 3.67Å; R159-D176 PolarHBondContact NH1-OD2 3.39Å; D176-A178 PolarHBondContact O-N 3.27Å; D176-N222 PolarHBondContact O-ND2 3.38Å; D176-H225 PolarHBondContact N-NE2 2.76Å; D176-H225 IonicContact OD2-CE1 1.76Å; D176-H225 PolarHBondContact OD2-CE1 3.41Å; D176-H225 VanDerWaalsContact OD2-CE1 3.31Å |
| 177 | P | 91.6 | Very high | 92.9 | Very high | 118 Ų | 118 | 60.3 Ų | 60.3 | 77% | 0.766 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 139.8 | -176.2 | -29.2 | 35.8 | 0 | 0 | 0 | 114 | T179 N222 | P177-T179 PolarHBondContact O-N 3.27Å; P177-N222 PolarHBondContact O-ND2 3.34Å |
| 178 | A | 85 | Confident | 92.9 | Very high | 93 Ų | 93 | 60.8 Ų | 60.8 | 77% | 0.769 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 133.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D176 | D176-A178 PolarHBondContact O-N 3.27Š|
| 179 | T | 83.8 | Confident | 92.9 | Very high | 27 Ų | 27 | 60.2 Ų | 60.2 | 17% | 0.166 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -69 | 149.6 | 174.6 | 49.7 | 0 | 0 | 0 | 0 | 110.2 | P177 G181 L212 I220 N222 | P177-T179 PolarHBondContact O-N 3.27Å; T179-G181 PolarHBondContact O-N 3.14Å; T179-L212 HydrophobicContact CG2-CD2 3.93Å; T179-I220 WeakPolarHBondContact CB-O 3.25Å; T179-I220 HydrophobicContact CG2-CB 4.43Å; T179-I220 HydrophobicContact CG2-CG2 3.73Å; T179-I220 PolarHBondContact OG1-O 2.86Å; T179-N222 VanDerWaalsContact CG2-OD1 3.24Å; T179-N222 WeakPolarHBondContact CG2-OD1 3.32Å |
| 180 | P | 81.3 | Confident | 92.9 | Very high | 87 Ų | 87 | 61.7 Ų | 61.7 | 57% | 0.565 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 126.1 | 175.8 | -26.5 | 35.3 | 0 | 0 | 0 | 111 | R182 | P180-R182 PolarHBondContact O-N 3.06Š|
| 181 | G | 76.9 | Confident | 92.9 | Very high | 66 Ų | 66 | 58.7 Ų | 58.7 | 68% | 0.68 | 37% | 0.369 | S | S | * | . | trans | -61 | 109.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T179 | T179-G181 PolarHBondContact O-N 3.14Š| ||
| 182 | R | 90.9 | Very high | 92.8 | Very high | 72 Ų | 72 | 58.7 Ų | 58.7 | 27% | 0.272 | 36% | 0.363 | S | S | . | . | trans | -109.1 | 136.1 | 177 | -73.3 | -176.3 | 175.6 | -162.5 | -5.7 | 110.9 | P180 D214 H218 I219 | P180-R182 PolarHBondContact O-N 3.06Å; R182-D214 PolarHBondContact NH1-O 3.14Å; R182-D214 IonicContact NH1-OD2 3.53Å; R182-D214 PolarHBondContact NH1-OD2 2.88Å; R182-D214 PolarHBondContact NH2-O 2.85Å; R182-H218 WeakPolarHBondContact CD-O 3.41Å; R182-H218 PolarHBondContact NH1-O 3.39Å; R182-I219 HydrophobicContact CB-CD1 4Å; R182-I219 VanDerWaalsContact O-CD1 3.26Å; R182-I219 WeakPolarHBondContact O-CD1 3.19Å | ||
| 183 | V | 93.6 | Very high | 92.8 | Very high | 26 Ų | 26 | 56.3 Ų | 56.3 | 16% | 0.158 | 34% | 0.343 | C | S | . | . | trans | -101.3 | 150.4 | 168.7 | -61.4 | 0 | 0 | 0 | 0 | 109.4 | T15 L18 L149 M150 D151 Y185 | T15-V183 HydrophobicContact CG2-CG1 4.26Å; T15-V183 HydrophobicContact CG2-CG2 3.83Å; L18-V183 HydrophobicContact CD1-CG1 4.07Å; L149-V183 HydrophobicContact CD1-CB 4.22Å; L149-V183 HydrophobicContact CD1-CG1 4.16Å; M150-V183 WeakPolarHBondContact O-CA 3.3Å; D151-V183 HydrophobicContact CB-CG1 4.21Å; V183-Y185 HydrophobicContact CG2-CD2 4.18Å; V183-Y185 HydrophobicContact CG2-CE2 3.62Å | ||
| 184 | H | 96 | Very high | 92.8 | Very high | 37 Ų | 37 | 56.9 Ų | 56.9 | 17% | 0.171 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 112.1 | 172.3 | -177.4 | 78.8 | 0 | 0 | 0 | 109.9 | L149 M150 L206 I219 | L149-H184 CarbonylContact C-O 3.59Å; L149-H184 VanDerWaalsContact CA-O 3.31Å; L149-H184 WeakPolarHBondContact CA-O 3.26Å; M150-H184 PolarHBondContact N-O 2.89Å; M150-H184 PolarHBondContact O-N 3.18Å; H184-L206 HydrophobicContact CB-CD1 4.22Å; H184-L206 HydrophobicContact CB-CG 4.28Å; H184-I219 HydrophobicContact CB-CD1 4Å; H184-I219 HydrophobicContact CB-CG1 4.25Å |
| 185 | Y | 95.9 | Very high | 92.9 | Very high | 44 Ų | 44 | 54.5 Ų | 54.5 | 17% | 0.173 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 143 | 176.2 | -70.8 | -98.5 | 0 | 0 | 0 | 111.2 | M10 E11 T14 M147 L149 V183 | M10-Y185 PolarHBondContact O-OH 3.41Å; E11-Y185 HydrophobicContact CG-CE2 3.73Å; T14-Y185 PolarHBondContact OG1-OH 3.38Å; M147-Y185 HydrophobicContact CB-CE1 4.48Å; M147-Y185 HydrophobicContact SD-CD1 4.47Å; M147-Y185 HydrophobicContact SD-CE1 3.87Å; L149-Y185 HydrophobicContact CB-CD1 4.12Å; L149-Y185 HydrophobicContact CB-CE1 4.48Å; L149-Y185 HydrophobicContact CB-CG 4.26Å; L149-Y185 HydrophobicContact CD2-CD1 4.18Å; L149-Y185 HydrophobicContact CD2-CE1 3.7Å; V183-Y185 HydrophobicContact CG2-CD2 4.18Å; V183-Y185 HydrophobicContact CG2-CE2 3.62Å |
| 186 | H | 97.4 | Very high | 93 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 7% | 0.065 | 33% | 0.329 | C | S | . | . | trans | -64.8 | 132 | 165.9 | -166.8 | -89.4 | 0 | 0 | 0 | 108.5 | L148 D188 S189 W196 V201 S202 F203 | L148-H186 HydrophobicContact CB-CB 4.02Å; L148-H186 PolarHBondContact O-N 2.79Å; H186-D188 IonicContact CE1-OD2 3.65Å; H186-D188 PolarHBondContact CE1-OD2 3.44Å; H186-D188 VanDerWaalsContact CE1-OD2 3.3Å; H186-D188 PolarHBondContact ND1-N 2.88Å; H186-D188 IonicContact ND1-OD2 3.43Å; H186-D188 PolarHBondContact O-N 3.13Å; H186-S189 VanDerWaalsContact O-CB 3.23Å; H186-S189 WeakPolarHBondContact O-CB 3.44Å; H186-S189 PolarHBondContact O-N 3.14Å; H186-S189 PolarHBondContact O-OG 3.3Å; H186-W196 HydrophobicContact CB-CH2 4.07Å; H186-W196 AromaticContact CE1-CZ3 3.85Å; H186-W196 AromaticContact CG-CH2 3.94Å; H186-W196 AromaticContact CG-CZ3 3.97Å; H186-W196 AromaticContact ND1-CH2 3.43Å; H186-W196 WeakPolarHBondContact ND1-CH2 3.28Å; H186-W196 AromaticContact ND1-CZ3 3.37Å; H186-W196 WeakPolarHBondContact ND1-CZ3 3.26Å; H186-V201 VanDerWaalsContact CD2-CG1 3.5Å; H186-V201 WeakPolarHBondContact CD2-CG1 3.22Å; H186-S202 PolarHBondContact NE2-O 2.93Å; H186-F203 HydrophobicContact CB-CE1 3.76Å; H186-F203 HydrophobicContact CB-CZ 3.88Å | ||
| 187 | P | 96.2 | Very high | 93.2 | Very high | 69 Ų | 69 | 54 Ų | 54 | 45% | 0.448 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.2 | -171.4 | 25.5 | -38.3 | 0 | 0 | 0 | 114.3 | S189 K205 | P187-S189 PolarHBondContact O-N 2.93Å; P187-K205 HydrophobicContact CG-CD 4.06Å |
| 188 | D | 96.1 | Very high | 93.5 | Very high | 79 Ų | 79 | 56.7 Ų | 56.7 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 11.8 | 179 | -48.4 | -15 | 0 | 0 | 0 | 112.4 | H186 P190 A191 W196 | H186-D188 IonicContact CE1-OD2 3.65Å; H186-D188 PolarHBondContact CE1-OD2 3.44Å; H186-D188 VanDerWaalsContact CE1-OD2 3.3Å; H186-D188 PolarHBondContact ND1-N 2.88Å; H186-D188 IonicContact ND1-OD2 3.43Å; H186-D188 PolarHBondContact O-N 3.13Å; D188-P190 CarbonylContact O-C 3.49Å; D188-A191 VanDerWaalsContact O-CB 3.32Å; D188-A191 WeakPolarHBondContact O-CB 3.24Å; D188-W196 HydrophobicContact CB-CH2 3.89Å; D188-W196 HydrophobicContact CB-CZ3 4.17Å |
| 189 | S | 95.4 | Very high | 94 | Very high | 28 Ų | 28 | 58.6 Ų | 58.6 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | trans | -87.9 | 144 | 177.9 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | L148 H186 P187 | L148-S189 PolarHBondContact N-OG 3.33Å; L148-S189 PolarHBondContact O-OG 2.76Å; H186-S189 VanDerWaalsContact O-CB 3.23Å; H186-S189 WeakPolarHBondContact O-CB 3.44Å; H186-S189 PolarHBondContact O-N 3.14Å; H186-S189 PolarHBondContact O-OG 3.3Å; P187-S189 PolarHBondContact O-N 2.93Å | ||
| 190 | P | 95.8 | Very high | 94.7 | Very high | 72 Ų | 72 | 60.7 Ų | 60.7 | 47% | 0.468 | 33% | 0.331 | S | S | . | . | S | Bend | cis | -76.6 | 148.4 | -10.5 | 32.3 | -34.7 | 0 | 0 | 0 | 112 | Y146 M147 D188 V236 | Y146-P190 WeakPolarHBondContact O-CA 3.44Å; M147-P190 HydrophobicContact CG-CB 3.9Å; D188-P190 CarbonylContact O-C 3.49Å; P190-V236 HydrophobicContact CB-CG2 4.26Å |
| 191 | A | 97 | Very high | 95.5 | Very high | 6 Ų | 6 | 56.9 Ų | 56.9 | 5% | 0.05 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 165.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y146 D188 Q195 W196 | Y146-A191 PolarHBondContact N-O 2.83Å; Y146-A191 PolarHBondContact O-N 2.67Å; D188-A191 VanDerWaalsContact O-CB 3.32Å; D188-A191 WeakPolarHBondContact O-CB 3.24Å; A191-Q195 HydrophobicContact CB-CB 4.48Å; A191-Q195 HydrophobicContact CB-CG 4.41Å; A191-W196 HydrophobicContact CB-CD2 4.47Å; A191-W196 HydrophobicContact CB-CZ2 3.89Å; A191-W196 PolarHBondContact O-NE1 3.17Å |
| 192 | K | 96.8 | Very high | 96.5 | Very high | 81 Ų | 81 | 55 Ų | 55 | 35% | 0.352 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 145.2 | -179 | -66.9 | -69.2 | 177.1 | -166.9 | 0 | 112.3 | M143 A144 D145 A194 Q195 W196 | M143-K192 VanDerWaalsContact O-CD 3.26Å; M143-K192 WeakPolarHBondContact O-CD 3.21Å; M143-K192 PolarHBondContact O-NZ 2.94Å; A144-K192 CarbonylContact O-C 3.57Å; A144-K192 VanDerWaalsContact O-CA 3.31Å; A144-K192 WeakPolarHBondContact O-CA 3.5Å; D145-K192 WeakPolarHBondContact OD1-CD 3.49Å; D145-K192 WeakPolarHBondContact OD1-CE 3.49Å; D145-K192 IonicContact OD1-NZ 3.12Å; D145-K192 PolarHBondContact OD1-NZ 2.74Å; D145-K192 VanDerWaalsContact OD1-NZ 3.12Å; D145-K192 IonicContact OD2-NZ 2.67Å; D145-K192 PolarHBondContact OD2-NZ 2.84Å; K192-A194 PolarHBondContact O-N 3.21Å; K192-A194 VanDerWaalsContact O-N 3.15Å; K192-Q195 WeakPolarHBondContact O-CA 3.31Å; K192-Q195 WeakPolarHBondContact O-CB 3.34Å; K192-Q195 PolarHBondContact O-N 3.41Å; K192-W196 PolarHBondContact O-N 3.33Å; K192-W196 VanDerWaalsContact O-N 3.12Å |
| 193 | G | 96.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -54.9 | -33.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D141 A144 Q195 W196 M197 | D141-G193 WeakPolarHBondContact O-CA 3.42Å; A144-G193 PolarHBondContact O-N 2.89Å; G193-Q195 VanDerWaalsContact C-N 3.3Å; G193-Q195 PolarHBondContact O-N 3.37Å; G193-W196 PolarHBondContact O-N 3.08Å; G193-M197 WeakPolarHBondContact O-CG 3.16Å; G193-M197 PolarHBondContact O-N 3.21Å |
| 194 | A | 97.5 | Very high | 97 | Very high | 46 Ų | 46 | 53 Ų | 53 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.9 | -33.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P142 K192 | P142-A194 HydrophobicContact CB-CB 4.02Å; P142-A194 VanDerWaalsContact O-CB 3.31Å; P142-A194 WeakPolarHBondContact O-CB 3.42Å; P142-A194 PolarHBondContact O-N 3.08Å; P142-A194 VanDerWaalsContact O-N 3.14Å; K192-A194 PolarHBondContact O-N 3.21Å; K192-A194 VanDerWaalsContact O-N 3.15Å |
| 195 | Q | 97.7 | Very high | 97 | Very high | 105 Ų | 105 | 56.7 Ų | 56.7 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -76.6 | -42.9 | 177.8 | -179.7 | 175.2 | -32.1 | 0 | 0 | 110.7 | A191 K192 G193 K198 | A191-Q195 HydrophobicContact CB-CB 4.48Å; A191-Q195 HydrophobicContact CB-CG 4.41Å; K192-Q195 WeakPolarHBondContact O-CA 3.31Å; K192-Q195 WeakPolarHBondContact O-CB 3.34Å; K192-Q195 PolarHBondContact O-N 3.41Å; G193-Q195 VanDerWaalsContact C-N 3.3Å; G193-Q195 PolarHBondContact O-N 3.37Å; Q195-K198 WeakPolarHBondContact O-CB 3.37Å; Q195-K198 PolarHBondContact O-N 3.4Å |
| 196 | W | 98 | Very high | 97.1 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 2% | 0.023 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 178 | -67.3 | 127.5 | 0 | 0 | 0 | 113.8 | M140 Y146 L148 H186 D188 A191 K192 G193 K198 V201 | M140-W196 HydrophobicContact CE-CB 4.17Å; M140-W196 HydrophobicContact CE-CG 4.28Å; M140-W196 HydrophobicContact SD-CB 3.55Å; M140-W196 VanDerWaalsContact SD-CB 3.55Å; M140-W196 HydrophobicContact SD-CG 4.28Å; Y146-W196 PolarHBondContact O-NE1 3.16Å; L148-W196 HydrophobicContact CB-CH2 4.3Å; L148-W196 HydrophobicContact CB-CZ2 4.3Å; L148-W196 HydrophobicContact CD1-CD2 3.47Å; L148-W196 VanDerWaalsContact CD1-CD2 3.47Å; L148-W196 HydrophobicContact CD1-CE3 3.35Å; L148-W196 HydrophobicContact CD1-CG 4.09Å; L148-W196 HydrophobicContact CD1-CH2 3.94Å; L148-W196 HydrophobicContact CD1-CZ2 4.04Å; L148-W196 HydrophobicContact CD1-CZ3 3.61Å; L148-W196 HydrophobicContact CG-CD2 3.93Å; L148-W196 HydrophobicContact CG-CE3 4.19Å; L148-W196 HydrophobicContact CG-CH2 4.08Å; L148-W196 HydrophobicContact CG-CZ2 3.81Å; L148-W196 HydrophobicContact CG-CZ3 4.27Å; H186-W196 HydrophobicContact CB-CH2 4.07Å; H186-W196 AromaticContact CE1-CZ3 3.85Å; H186-W196 AromaticContact CG-CH2 3.94Å; H186-W196 AromaticContact CG-CZ3 3.97Å; H186-W196 AromaticContact ND1-CH2 3.43Å; H186-W196 WeakPolarHBondContact ND1-CH2 3.28Å; H186-W196 AromaticContact ND1-CZ3 3.37Å; H186-W196 WeakPolarHBondContact ND1-CZ3 3.26Å; D188-W196 HydrophobicContact CB-CH2 3.89Å; D188-W196 HydrophobicContact CB-CZ3 4.17Å; A191-W196 HydrophobicContact CB-CD2 4.47Å; A191-W196 HydrophobicContact CB-CZ2 3.89Å; A191-W196 PolarHBondContact O-NE1 3.17Å; K192-W196 PolarHBondContact O-N 3.33Å; K192-W196 VanDerWaalsContact O-N 3.12Å; G193-W196 PolarHBondContact O-N 3.08Å; W196-K198 VanDerWaalsContact C-N 3.28Å; W196-K198 PolarHBondContact O-N 3.37Å; W196-V201 HydrophobicContact CE3-CG2 3.85Å; W196-V201 HydrophobicContact CZ3-CG1 4.31Å; W196-V201 HydrophobicContact CZ3-CG2 4.39Å |
| 197 | M | 97.8 | Very high | 97.1 | Very high | 59 Ų | 59 | 57 Ų | 57 | 29% | 0.291 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -7.4 | 177.9 | -63.4 | -170.9 | -65.8 | 0 | 0 | 113.8 | I137 M140 P142 G193 Q199 | I137-M197 WeakPolarHBondContact O-CG 3.46Å; M140-M197 HydrophobicContact CB-CE 3.99Å; M140-M197 HydrophobicContact CB-CG 4.09Å; M140-M197 HydrophobicContact CB-SD 3.74Å; M140-M197 HydrophobicContact CG-CG 3.8Å; M140-M197 HydrophobicContact CG-SD 3.89Å; M140-M197 PolarHBondContact N-SD 2.72Å; M140-M197 VanDerWaalsContact N-SD 3.37Å; M140-M197 WeakPolarHBondContact O-CE 3.38Å; M140-M197 HydrophobicContact SD-CG 3.88Å; P142-M197 HydrophobicContact CG-CE 4.35Å; G193-M197 WeakPolarHBondContact O-CG 3.16Å; G193-M197 PolarHBondContact O-N 3.21Å; M197-Q199 PolarHBondContact O-N 3.23Å |
| 198 | K | 97.2 | Very high | 97.2 | Very high | 173 Ų | 173 | 53.8 Ų | 53.8 | 75% | 0.752 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -31.9 | -175.4 | -172.5 | 179.6 | 177.4 | -175.6 | 0 | 113.3 | Q195 W196 | Q195-K198 WeakPolarHBondContact O-CB 3.37Å; Q195-K198 PolarHBondContact O-N 3.4Å; W196-K198 VanDerWaalsContact C-N 3.28Å; W196-K198 PolarHBondContact O-N 3.37Å |
| 199 | Q | 96.6 | Very high | 97.2 | Very high | 133 Ų | 133 | 50 Ų | 50 | 62% | 0.621 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -153.4 | 175.8 | -173.3 | 65.1 | -177.2 | 43.2 | 0 | 0 | 111.2 | M197 | M197-Q199 PolarHBondContact O-N 3.23Š|
| 200 | I | 98 | Very high | 97.3 | Very high | 72 Ų | 72 | 51.8 Ų | 51.8 | 37% | 0.369 | 26% | 0.26 | S | S | . | . | trans | -67.2 | 131.4 | 173.2 | -64.9 | 167.4 | 0 | 0 | 0 | 109.5 | E105 Q134 | E105-I200 HydrophobicContact CG-CD1 3.86Å; E105-I200 HydrophobicContact CG-CG1 3.97Å; E105-I200 HydrophobicContact CG-CG2 3.96Å; Q134-I200 HydrophobicContact CB-CG2 3.92Å | ||
| 201 | V | 98.3 | Very high | 97.2 | Very high | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 135.5 | 172.4 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | Q134 V135 I137 L148 H186 W196 F203 | Q134-V201 CarbonylContact C-O 3.52Å; Q134-V201 VanDerWaalsContact CA-O 3.32Å; Q134-V201 WeakPolarHBondContact CA-O 3.5Å; V135-V201 HydrophobicContact CG2-CB 4.15Å; V135-V201 PolarHBondContact N-O 3.15Å; V135-V201 PolarHBondContact O-N 3Å; I137-V201 HydrophobicContact CD1-CG2 3.88Å; I137-V201 HydrophobicContact CG1-CG2 4.47Å; L148-V201 HydrophobicContact CD1-CB 4.46Å; L148-V201 HydrophobicContact CD1-CG1 3.82Å; L148-V201 HydrophobicContact CD1-CG2 4.02Å; H186-V201 VanDerWaalsContact CD2-CG1 3.5Å; H186-V201 WeakPolarHBondContact CD2-CG1 3.22Å; W196-V201 HydrophobicContact CE3-CG2 3.85Å; W196-V201 HydrophobicContact CZ3-CG1 4.31Å; W196-V201 HydrophobicContact CZ3-CG2 4.39Å; V201-F203 HydrophobicContact CG1-CE2 4.07Å |
| 202 | S | 98.1 | Very high | 97 | Very high | 27 Ų | 27 | 55 Ų | 55 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 115.7 | -167.1 | 172.1 | 0 | 0 | 0 | 0 | 112.5 | Q134 H186 D204 | Q134-S202 PolarHBondContact NE2-OG 3.04Å; H186-S202 PolarHBondContact NE2-O 2.93Å; S202-D204 PolarHBondContact O-N 3.38Å |
| 203 | F | 98.1 | Very high | 96.7 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | trans | -85.2 | 52.3 | 177.8 | -69.6 | -93.3 | 0 | 0 | 0 | 111.7 | F133 L148 M150 H186 V201 L206 F231 | F133-F203 HydrophobicContact CD1-CD2 4.02Å; F133-F203 PolarHBondContact O-N 3.33Å; L148-F203 HydrophobicContact CB-CZ 4.4Å; M150-F203 HydrophobicContact CG-CD1 3.99Å; M150-F203 HydrophobicContact CG-CD2 4.17Å; M150-F203 HydrophobicContact CG-CE1 3.84Å; M150-F203 HydrophobicContact CG-CE2 4.05Å; M150-F203 HydrophobicContact CG-CG 4.14Å; M150-F203 HydrophobicContact CG-CZ 3.88Å; M150-F203 HydrophobicContact SD-CB 3.85Å; M150-F203 HydrophobicContact SD-CD1 3.88Å; M150-F203 HydrophobicContact SD-CD2 3.64Å; M150-F203 HydrophobicContact SD-CE1 4.31Å; M150-F203 HydrophobicContact SD-CE2 4.12Å; M150-F203 HydrophobicContact SD-CG 3.5Å; M150-F203 WeakPolarHBondContact SD-CG 3.23Å; M150-F203 HydrophobicContact SD-CZ 4.42Å; H186-F203 HydrophobicContact CB-CE1 3.76Å; H186-F203 HydrophobicContact CB-CZ 3.88Å; V201-F203 HydrophobicContact CG1-CE2 4.07Å; F203-L206 HydrophobicContact CB-CB 4.14Å; F203-L206 HydrophobicContact CB-CD1 4.15Å; F203-L206 HydrophobicContact CD1-CD1 4.27Å; F203-L206 WeakPolarHBondContact O-CB 3.3Å; F203-L206 PolarHBondContact O-N 2.96Å; F203-F231 AromaticContact CE2-CD2 3.77Å; F203-F231 HydrophobicContact CE2-CD2 3.77Å; F203-F231 AromaticContact CE2-CE2 3.62Å; F203-F231 HydrophobicContact CE2-CE2 3.62Å; F203-F231 HydrophobicContact CZ-CD2 4Å; F203-F231 AromaticContact CZ-CE2 3.79Å; F203-F231 HydrophobicContact CZ-CE2 3.79Å | ||
| 204 | D | 96.6 | Very high | 96.6 | Very high | 50 Ų | 50 | 57.6 Ų | 57.6 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -31.5 | -177.3 | 85.7 | -66.6 | 0 | 0 | 0 | 112.9 | R128 T132 S202 L206 | R128-D204 WeakPolarHBondContact CD-O 3.33Å; R128-D204 WeakPolarHBondContact CG-O 3.32Å; R128-D204 IonicContact CZ-OD2 3.67Å; R128-D204 PolarHBondContact NE-O 2.86Å; R128-D204 VanDerWaalsContact NE-O 3.08Å; R128-D204 PolarHBondContact NH1-O 2.99Å; R128-D204 IonicContact NH1-OD2 3.53Å; R128-D204 PolarHBondContact NH1-OD2 3.07Å; R128-D204 IonicContact NH2-OD2 2.87Å; R128-D204 PolarHBondContact NH2-OD2 3.05Å; T132-D204 HydrophobicContact CG2-CB 4.06Å; S202-D204 PolarHBondContact O-N 3.38Å; D204-L206 VanDerWaalsContact C-N 3.32Å |
| 205 | K | 95.6 | Very high | 96.3 | Very high | 113 Ų | 113 | 63 Ų | 63 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -14.6 | 179.2 | -69.3 | 158.7 | -167.2 | 171.3 | 0 | 113 | P187 K207 | P187-K205 HydrophobicContact CG-CD 4.06Å; K205-K207 PolarHBondContact O-N 2.86Å |
| 206 | L | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -62.7 | 129.7 | 179.5 | -165.4 | 162.8 | 0 | 0 | 0 | 110 | R128 M129 M150 F152 H184 F203 D204 L208 I219 | R128-L206 WeakPolarHBondContact CA-O 3.42Å; M129-L206 HydrophobicContact CE-CD1 4.27Å; M129-L206 HydrophobicContact CE-CD2 4.13Å; M129-L206 HydrophobicContact CG-CD2 4.42Å; M129-L206 HydrophobicContact SD-CD2 4.3Å; M150-L206 HydrophobicContact CB-CD1 4.04Å; M150-L206 HydrophobicContact CG-CD1 4.41Å; M150-L206 HydrophobicContact SD-CD1 3.73Å; F152-L206 HydrophobicContact CE2-CD1 4.02Å; F152-L206 HydrophobicContact CE2-CD2 4.01Å; F152-L206 HydrophobicContact CZ-CD1 4.07Å; F152-L206 HydrophobicContact CZ-CD2 3.83Å; H184-L206 HydrophobicContact CB-CD1 4.22Å; H184-L206 HydrophobicContact CB-CG 4.28Å; F203-L206 HydrophobicContact CB-CB 4.14Å; F203-L206 HydrophobicContact CB-CD1 4.15Å; F203-L206 HydrophobicContact CD1-CD1 4.27Å; F203-L206 WeakPolarHBondContact O-CB 3.3Å; F203-L206 PolarHBondContact O-N 2.96Å; D204-L206 VanDerWaalsContact C-N 3.32Å; L206-L208 HydrophobicContact CD2-CD2 3.68Å; L206-I219 HydrophobicContact CD2-CG1 4.25Å | ||
| 207 | K | 97.8 | Very high | 95.7 | Very high | 65 Ų | 65 | 65 Ų | 65 | 28% | 0.283 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 142.8 | 179.2 | -78.6 | 171.4 | 159.4 | -162.5 | 0 | 111.9 | A125 G126 R127 R128 K205 H218 I219 | A125-K207 PolarHBondContact O-NZ 2.7Å; G126-K207 VanDerWaalsContact O-CE 3.3Å; G126-K207 WeakPolarHBondContact O-CE 3.36Å; R127-K207 CarbonylContact O-C 3.48Å; R127-K207 VanDerWaalsContact O-CA 3.3Å; R127-K207 WeakPolarHBondContact O-CA 3.37Å; R128-K207 HydrophobicContact CG-CG 4.18Å; K205-K207 PolarHBondContact O-N 2.86Å; K207-H218 HydrophobicContact CB-CB 4.45Å; K207-H218 VanDerWaalsContact CD-CD2 3.45Å; K207-H218 WeakPolarHBondContact CD-CD2 3.12Å; K207-H218 WeakPolarHBondContact CD-NE2 3.15Å; K207-H218 PolarHBondContact NZ-NE2 3.39Å; K207-I219 PolarHBondContact O-N 3.26Å |
| 208 | L | 98.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.7 | 173.9 | -47.5 | -179 | 0 | 0 | 0 | 109.9 | M120 V122 G126 R127 M129 F152 L206 I219 L221 F260 | M120-L208 HydrophobicContact CB-CD1 3.94Å; M120-L208 HydrophobicContact CG-CD1 4.41Å; V122-L208 HydrophobicContact CG1-CB 3.86Å; G126-L208 WeakPolarHBondContact CA-O 3.35Å; R127-L208 PolarHBondContact N-O 2.95Å; R127-L208 PolarHBondContact O-N 2.9Å; M129-L208 HydrophobicContact CG-CD1 3.82Å; M129-L208 HydrophobicContact CG-CD2 4.35Å; M129-L208 HydrophobicContact CG-CG 3.98Å; M129-L208 HydrophobicContact SD-CD1 4.22Å; M129-L208 HydrophobicContact SD-CD2 4.36Å; F152-L208 HydrophobicContact CE1-CD2 4.13Å; F152-L208 HydrophobicContact CE2-CD2 4.33Å; F152-L208 HydrophobicContact CZ-CD2 3.94Å; L206-L208 HydrophobicContact CD2-CD2 3.68Å; L208-I219 CarbonylContact C-O 3.59Å; L208-I219 WeakPolarHBondContact CA-O 3.36Å; L208-I219 HydrophobicContact CD2-CB 3.98Å; L208-I219 HydrophobicContact CD2-CG2 4.11Å; L208-L221 HydrophobicContact CB-CD1 4.25Å; L208-L221 HydrophobicContact CD1-CD1 3.9Å; L208-L221 HydrophobicContact CD2-CD1 3.99Å; L208-L221 HydrophobicContact CG-CD1 4.27Å; L208-F260 HydrophobicContact CD1-CE2 3.95Å; L208-F260 HydrophobicContact CD1-CZ 3.84Å |
| 209 | T | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 154.9 | 178.7 | -173.1 | 0 | 0 | 0 | 0 | 111.3 | T123 K124 N211 D214 H218 I219 I220 L221 | T123-T209 WeakPolarHBondContact O-CA 3.32Å; T123-T209 WeakPolarHBondContact O-CB 3.43Å; T123-T209 PolarHBondContact O-OG1 3.14Å; K124-T209 PolarHBondContact O-OG1 2.79Å; T209-N211 WeakPolarHBondContact OG1-CB 3.38Å; T209-N211 PolarHBondContact OG1-N 2.88Å; T209-N211 VanDerWaalsContact OG1-N 3.11Å; T209-D214 HydrophobicContact CG2-CB 3.87Å; T209-H218 HydrophobicContact CG2-CB 3.71Å; T209-I219 PolarHBondContact N-O 3.09Å; T209-I220 HydrophobicContact CG2-CB 4.36Å; T209-I220 HydrophobicContact CG2-CG1 3.81Å; T209-I220 WeakPolarHBondContact O-CA 3.35Å; T209-L221 PolarHBondContact O-N 2.86Å |
| 210 | N | 95.8 | Very high | 95.7 | Very high | 66 Ų | 66 | 49.1 Ų | 49.1 | 35% | 0.353 | 26% | 0.263 | S | S | . | . | trans | -104.3 | 7.6 | 168.5 | 69.6 | -40.3 | 0 | 0 | 0 | 112.6 | V122 K124 | V122-N210 HydrophobicContact CB-CB 4.22Å; V122-N210 HydrophobicContact CG2-CB 3.89Å; K124-N210 PolarHBondContact N-OD1 3.37Å; K124-N210 VanDerWaalsContact N-OD1 3.13Å | ||
| 211 | N | 94.8 | Very high | 95.7 | Very high | 38 Ų | 38 | 45.8 Ų | 45.8 | 20% | 0.203 | 25% | 0.246 | C | C | . | . | trans | -84.2 | 112.2 | 175.8 | -179.2 | 21.8 | 0 | 0 | 0 | 110.2 | K124 T209 L213 D214 I220 | K124-N211 HydrophobicContact CG-CB 4.18Å; T209-N211 WeakPolarHBondContact OG1-CB 3.38Å; T209-N211 PolarHBondContact OG1-N 2.88Å; T209-N211 VanDerWaalsContact OG1-N 3.11Å; N211-L213 PolarHBondContact ND2-O 3.16Å; N211-L213 PolarHBondContact O-N 3.03Å; N211-L213 PolarHBondContact OD1-N 3.02Å; N211-L213 VanDerWaalsContact OD1-N 3.09Å; N211-D214 HydrophobicContact CB-CB 4.27Å; N211-D214 PolarHBondContact ND2-N 3.44Å; N211-D214 PolarHBondContact O-N 3.28Å; N211-I220 WeakPolarHBondContact O-CD1 3.14Å; N211-I220 WeakPolarHBondContact O-CG1 3.46Å | ||
| 212 | L | 91.9 | Very high | 95.6 | Very high | 106 Ų | 106 | 46.6 Ų | 46.6 | 56% | 0.555 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.3 | 175.8 | -57.2 | -175.5 | 0 | 0 | 0 | 112.7 | T179 I220 | T179-L212 HydrophobicContact CG2-CD2 3.93Å; L212-I220 HydrophobicContact CD2-CG2 3.74Å |
| 213 | L | 91.9 | Very high | 95.6 | Very high | 137 Ų | 137 | 46.5 Ų | 46.5 | 72% | 0.717 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 53.3 | 179.8 | -54.3 | 178 | 0 | 0 | 0 | 110.1 | N211 | N211-L213 PolarHBondContact ND2-O 3.16Å; N211-L213 PolarHBondContact O-N 3.03Å; N211-L213 PolarHBondContact OD1-N 3.02Å; N211-L213 VanDerWaalsContact OD1-N 3.09Å |
| 214 | D | 93.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -92.6 | 109.2 | 177.2 | 177.3 | 87.1 | 0 | 0 | 0 | 111.6 | R182 T209 N211 N216 G217 H218 I220 | R182-D214 PolarHBondContact NH1-O 3.14Å; R182-D214 IonicContact NH1-OD2 3.53Å; R182-D214 PolarHBondContact NH1-OD2 2.88Å; R182-D214 PolarHBondContact NH2-O 2.85Å; T209-D214 HydrophobicContact CG2-CB 3.87Å; N211-D214 HydrophobicContact CB-CB 4.27Å; N211-D214 PolarHBondContact ND2-N 3.44Å; N211-D214 PolarHBondContact O-N 3.28Å; D214-N216 VanDerWaalsContact C-N 3.27Å; D214-N216 PolarHBondContact O-N 3.37Å; D214-N216 PolarHBondContact OD1-ND2 2.82Å; D214-N216 PolarHBondContact OD2-N 3.01Å; D214-N216 VanDerWaalsContact OD2-N 3.16Å; D214-G217 PolarHBondContact OD2-N 3.29Å; D214-H218 IonicContact OD1-CE1 3.51Å; D214-H218 IonicContact OD1-CG 2.79Å; D214-H218 IonicContact OD1-ND1 3.39Å; D214-H218 PolarHBondContact OD1-ND1 2.87Å; D214-H218 WeakPolarHBondContact OD2-CB 3.23Å; D214-H218 IonicContact OD2-CG 3.58Å; D214-H218 PolarHBondContact OD2-N 1.76Å; D214-H218 IonicContact OD2-ND1 2.7Å; D214-H218 PolarHBondContact OD2-ND1 2.82Å; D214-I220 HydrophobicContact CB-CD1 4.42Å; D214-I220 HydrophobicContact CB-CG1 4.39Å | ||
| 215 | D | 92.8 | Very high | 95.6 | Very high | 158 Ų | 158 | 45.6 Ų | 45.6 | 85% | 0.845 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -0.2 | 179.9 | -52.9 | -49.1 | 0 | 0 | 0 | 113.6 | G217 | D215-G217 VanDerWaalsContact C-N 3.35Å; D215-G217 PolarHBondContact O-N 3.23Å |
| 216 | N | 92.1 | Very high | 95.8 | Very high | 112 Ų | 112 | 44 Ų | 44 | 60% | 0.599 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -0.8 | -173.5 | -54.5 | -80.9 | 0 | 0 | 0 | 113.8 | D214 H218 | D214-N216 VanDerWaalsContact C-N 3.27Å; D214-N216 PolarHBondContact O-N 3.37Å; D214-N216 PolarHBondContact OD1-ND2 2.82Å; D214-N216 PolarHBondContact OD2-N 3.01Å; D214-N216 VanDerWaalsContact OD2-N 3.16Å; N216-H218 VanDerWaalsContact C-N 3.27Å; N216-H218 WeakPolarHBondContact CB-CE1 3.24Å; N216-H218 PolarHBondContact O-N 3.06Å |
| 217 | G | 91.2 | Very high | 95.8 | Very high | 41 Ų | 41 | 44.4 Ų | 44.4 | 42% | 0.423 | 24% | 0.237 | S | C | . | . | trans | 69.3 | 20.7 | -172 | 0 | 0 | 0 | 0 | 0 | 114 | D214 D215 | D214-G217 PolarHBondContact OD2-N 3.29Å; D215-G217 VanDerWaalsContact C-N 3.35Å; D215-G217 PolarHBondContact O-N 3.23Å | ||
| 218 | H | 96.1 | Very high | 95.8 | Very high | 23 Ų | 23 | 42.4 Ų | 42.4 | 11% | 0.106 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 154.8 | 171.6 | -55.6 | 138.2 | 0 | 0 | 0 | 110.7 | A125 R182 K207 T209 D214 N216 I220 | A125-H218 PolarHBondContact O-CE1 3.46Å; R182-H218 WeakPolarHBondContact CD-O 3.41Å; R182-H218 PolarHBondContact NH1-O 3.39Å; K207-H218 HydrophobicContact CB-CB 4.45Å; K207-H218 VanDerWaalsContact CD-CD2 3.45Å; K207-H218 WeakPolarHBondContact CD-CD2 3.12Å; K207-H218 WeakPolarHBondContact CD-NE2 3.15Å; K207-H218 PolarHBondContact NZ-NE2 3.39Å; T209-H218 HydrophobicContact CG2-CB 3.71Å; D214-H218 IonicContact OD1-CE1 3.51Å; D214-H218 IonicContact OD1-CG 2.79Å; D214-H218 IonicContact OD1-ND1 3.39Å; D214-H218 PolarHBondContact OD1-ND1 2.87Å; D214-H218 WeakPolarHBondContact OD2-CB 3.23Å; D214-H218 IonicContact OD2-CG 3.58Å; D214-H218 PolarHBondContact OD2-N 1.76Å; D214-H218 IonicContact OD2-ND1 2.7Å; D214-H218 PolarHBondContact OD2-ND1 2.82Å; N216-H218 VanDerWaalsContact C-N 3.27Å; N216-H218 WeakPolarHBondContact CB-CE1 3.24Å; N216-H218 PolarHBondContact O-N 3.06Å; H218-I220 PolarHBondContact O-N 3.16Å |
| 219 | I | 97.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 120.4 | 175.5 | -61.1 | -70.3 | 0 | 0 | 0 | 108.9 | F152 R182 H184 L206 K207 L208 T209 L221 | F152-I219 HydrophobicContact CB-CG2 4.45Å; F152-I219 HydrophobicContact CD2-CB 4.4Å; F152-I219 HydrophobicContact CD2-CD1 4.16Å; F152-I219 HydrophobicContact CD2-CG1 4.08Å; F152-I219 HydrophobicContact CD2-CG2 3.62Å; F152-I219 HydrophobicContact CE2-CB 4.46Å; F152-I219 HydrophobicContact CE2-CD1 4.3Å; F152-I219 HydrophobicContact CE2-CG1 3.9Å; F152-I219 HydrophobicContact CE2-CG2 4.11Å; F152-I219 HydrophobicContact CG-CG2 4.12Å; R182-I219 HydrophobicContact CB-CD1 4Å; R182-I219 VanDerWaalsContact O-CD1 3.26Å; R182-I219 WeakPolarHBondContact O-CD1 3.19Å; H184-I219 HydrophobicContact CB-CD1 4Å; H184-I219 HydrophobicContact CB-CG1 4.25Å; L206-I219 HydrophobicContact CD2-CG1 4.25Å; K207-I219 PolarHBondContact O-N 3.26Å; L208-I219 CarbonylContact C-O 3.59Å; L208-I219 WeakPolarHBondContact CA-O 3.36Å; L208-I219 HydrophobicContact CD2-CB 3.98Å; L208-I219 HydrophobicContact CD2-CG2 4.11Å; T209-I219 PolarHBondContact N-O 3.09Å; I219-L221 HydrophobicContact CG2-CD2 3.76Å; I219-L221 HydrophobicContact CG2-CG 4.03Å |
| 220 | I | 97.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 120 | -178.8 | -54.4 | 173.4 | 0 | 0 | 0 | 109.4 | T179 T209 N211 L212 D214 H218 | T179-I220 WeakPolarHBondContact CB-O 3.25Å; T179-I220 HydrophobicContact CG2-CB 4.43Å; T179-I220 HydrophobicContact CG2-CG2 3.73Å; T179-I220 PolarHBondContact OG1-O 2.86Å; T209-I220 HydrophobicContact CG2-CB 4.36Å; T209-I220 HydrophobicContact CG2-CG1 3.81Å; T209-I220 WeakPolarHBondContact O-CA 3.35Å; N211-I220 WeakPolarHBondContact O-CD1 3.14Å; N211-I220 WeakPolarHBondContact O-CG1 3.46Å; L212-I220 HydrophobicContact CD2-CG2 3.74Å; D214-I220 HydrophobicContact CB-CD1 4.42Å; D214-I220 HydrophobicContact CB-CG1 4.39Å; H218-I220 PolarHBondContact O-N 3.16Å |
| 221 | L | 97.3 | Very high | 96 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | trans | -125.7 | 142.9 | 178.5 | -56.1 | -179.3 | 0 | 0 | 0 | 111.3 | V122 F152 L208 T209 I219 Y227 F260 A262 | V122-L221 HydrophobicContact CG1-CB 4.36Å; V122-L221 HydrophobicContact CG1-CD1 4.47Å; F152-L221 HydrophobicContact CB-CD2 4.1Å; L208-L221 HydrophobicContact CB-CD1 4.25Å; L208-L221 HydrophobicContact CD1-CD1 3.9Å; L208-L221 HydrophobicContact CD2-CD1 3.99Å; L208-L221 HydrophobicContact CG-CD1 4.27Å; T209-L221 PolarHBondContact O-N 2.86Å; I219-L221 HydrophobicContact CG2-CD2 3.76Å; I219-L221 HydrophobicContact CG2-CG 4.03Å; L221-Y227 HydrophobicContact CB-CD2 4.34Å; L221-Y227 HydrophobicContact CB-CE2 3.77Å; L221-Y227 HydrophobicContact CD1-CD2 4.05Å; L221-Y227 HydrophobicContact CD1-CE2 4.32Å; L221-Y227 HydrophobicContact CD1-CG 4.36Å; L221-Y227 HydrophobicContact CD2-CD1 3.77Å; L221-Y227 HydrophobicContact CD2-CD2 4.14Å; L221-Y227 HydrophobicContact CD2-CE1 3.68Å; L221-Y227 HydrophobicContact CD2-CE2 4.04Å; L221-Y227 HydrophobicContact CD2-CG 4Å; L221-Y227 HydrophobicContact CG-CD2 4.42Å; L221-Y227 HydrophobicContact CG-CE2 4.26Å; L221-F260 HydrophobicContact CD1-CE2 3.84Å; L221-F260 HydrophobicContact CD1-CZ 3.68Å; L221-A262 HydrophobicContact CB-CB 4.24Å; L221-A262 HydrophobicContact CD1-CB 4.27Å | ||
| 222 | N | 97.2 | Very high | 96.1 | Very high | 23 Ų | 23 | 38.9 Ų | 38.9 | 12% | 0.123 | 21% | 0.207 | C | C | . | . | trans | -76.3 | 130.9 | 171.1 | -68.5 | -23 | 0 | 0 | 0 | 109.5 | D176 P177 T179 H225 Y227 | D176-N222 PolarHBondContact O-ND2 3.38Å; P177-N222 PolarHBondContact O-ND2 3.34Å; T179-N222 VanDerWaalsContact CG2-OD1 3.24Å; T179-N222 WeakPolarHBondContact CG2-OD1 3.32Å; N222-H225 WeakPolarHBondContact CB-ND1 3.22Å; N222-Y227 PolarHBondContact N-OH 3.37Å | ||
| 223 | S | 97.5 | Very high | 96.3 | Very high | 26 Ų | 26 | 33.8 Ų | 33.8 | 18% | 0.182 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 149.9 | 175.3 | -169.1 | 0 | 0 | 0 | 0 | 110.9 | H225 T264 | S223-H225 VanDerWaalsContact C-N 3.29Å; S223-H225 PolarHBondContact O-CE1 2.81Å; S223-H225 PolarHBondContact O-N 3.44Å; S223-H225 PolarHBondContact O-ND1 2.71Å; S223-T264 PolarHBondContact OG-N 3.11Å |
| 224 | M | 97.9 | Very high | 96.4 | Very high | 30 Ų | 30 | 28.3 Ų | 28.3 | 15% | 0.148 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 26.8 | -176.7 | -45.1 | -57 | -76.8 | 0 | 0 | 115 | Y160 W169 A262 V263 Q267 | Y160-M224 WeakPolarHBondContact CB-O 3.47Å; Y160-M224 PolarHBondContact N-O 3.3Å; Y160-M224 WeakPolarHBondContact O-CB 3.37Å; W169-M224 HydrophobicContact CH2-CE 4.02Å; W169-M224 HydrophobicContact CZ3-CE 3.71Å; M224-A262 WeakPolarHBondContact CA-O 3.48Å; M224-A262 PolarHBondContact N-O 3.24Å; M224-V263 HydrophobicContact SD-CG1 4.03Å; M224-Q267 HydrophobicContact CE-CG 4.33Å |
| 225 | H | 98.2 | Very high | 96.4 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 3% | 0.028 | 16% | 0.159 | C | C | . | . | trans | -120 | 153.8 | 174.2 | -64 | 76.6 | 0 | 0 | 0 | 111 | K158 A175 D176 N222 S223 Y227 T261 A262 | K158-H225 PolarHBondContact O-CD2 3.05Å; A175-H225 VanDerWaalsContact CA-NE2 3.3Å; A175-H225 WeakPolarHBondContact CA-NE2 3.33Å; D176-H225 PolarHBondContact N-NE2 2.76Å; D176-H225 IonicContact OD2-CE1 1.76Å; D176-H225 PolarHBondContact OD2-CE1 3.41Å; D176-H225 VanDerWaalsContact OD2-CE1 3.31Å; N222-H225 WeakPolarHBondContact CB-ND1 3.22Å; S223-H225 VanDerWaalsContact C-N 3.29Å; S223-H225 PolarHBondContact O-CE1 2.81Å; S223-H225 PolarHBondContact O-N 3.44Å; S223-H225 PolarHBondContact O-ND1 2.71Å; H225-Y227 HydrophobicContact CB-CE2 3.72Å; H225-T261 WeakPolarHBondContact O-CA 3.45Å; H225-A262 PolarHBondContact O-N 2.99Å | ||
| 226 | R | 98.3 | Very high | 96.2 | Very high | 79 Ų | 79 | 23.8 Ų | 23.8 | 30% | 0.298 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 134.2 | -178.9 | -73.1 | 179.4 | 172.4 | 179.6 | -7.1 | 111.3 | P154 V155 Y160 F260 T261 | P154-R226 WeakPolarHBondContact CA-O 3.45Å; V155-R226 HydrophobicContact CB-CB 3.86Å; V155-R226 HydrophobicContact CG2-CB 4.03Å; V155-R226 PolarHBondContact N-O 3.35Å; Y160-R226 HydrophobicContact CD2-CG 4.04Å; Y160-R226 HydrophobicContact CE2-CB 4.45Å; Y160-R226 HydrophobicContact CE2-CG 3.8Å; Y160-R226 PolarHBondContact OH-NH1 2.96Å; Y160-R226 VanDerWaalsContact OH-NH1 3.11Å; R226-F260 CarbonylContact C-O 3.57Å; R226-F260 WeakPolarHBondContact CA-O 3.26Å; R226-T261 HydrophobicContact CG-CG2 4.45Å |
| 227 | Y | 98.3 | Very high | 95.7 | Very high | 10 Ų | 10 | 19.3 Ų | 19.3 | 4% | 0.039 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 142.4 | -177.7 | -67.1 | -80.1 | 0 | 0 | 0 | 112.6 | F152 L153 P154 L221 N222 H225 R259 F260 A262 | F152-Y227 HydrophobicContact CB-CD1 4.49Å; L153-Y227 CarbonylContact O-C 3.51Å; L153-Y227 WeakPolarHBondContact O-CA 3.36Å; L153-Y227 WeakPolarHBondContact O-CD1 3.47Å; P154-Y227 HydrophobicContact CB-CE1 4.33Å; L221-Y227 HydrophobicContact CB-CD2 4.34Å; L221-Y227 HydrophobicContact CB-CE2 3.77Å; L221-Y227 HydrophobicContact CD1-CD2 4.05Å; L221-Y227 HydrophobicContact CD1-CE2 4.32Å; L221-Y227 HydrophobicContact CD1-CG 4.36Å; L221-Y227 HydrophobicContact CD2-CD1 3.77Å; L221-Y227 HydrophobicContact CD2-CD2 4.14Å; L221-Y227 HydrophobicContact CD2-CE1 3.68Å; L221-Y227 HydrophobicContact CD2-CE2 4.04Å; L221-Y227 HydrophobicContact CD2-CG 4Å; L221-Y227 HydrophobicContact CG-CD2 4.42Å; L221-Y227 HydrophobicContact CG-CE2 4.26Å; N222-Y227 PolarHBondContact N-OH 3.37Å; H225-Y227 HydrophobicContact CB-CE2 3.72Å; Y227-R259 WeakPolarHBondContact O-CA 3.25Å; Y227-F260 HydrophobicContact CD2-CE2 4.42Å; Y227-F260 PolarHBondContact N-O 2.81Å; Y227-F260 PolarHBondContact O-N 3.27Å; Y227-A262 HydrophobicContact CD2-CB 3.98Å; Y227-A262 HydrophobicContact CE2-CB 3.96Å |
| 228 | Q | 98.3 | Very high | 95.1 | Very high | 22 Ų | 22 | 22.7 Ų | 22.7 | 10% | 0.103 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 113 | 171.8 | 176.1 | 61 | 64.8 | 0 | 0 | 108.6 | L153 V155 V254 F255 T258 | L153-Q228 PolarHBondContact N-O 3.05Å; L153-Q228 PolarHBondContact O-N 2.85Å; V155-Q228 HydrophobicContact CG2-CB 4.03Å; Q228-V254 HydrophobicContact CG-CG1 3.57Å; Q228-F255 PolarHBondContact NE2-O 2.78Å; Q228-T258 PolarHBondContact NE2-OG1 3.1Å |
| 229 | P | 98.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 140 | 166.6 | -18.6 | 30 | 0 | 0 | 0 | 110.6 | F133 M150 F152 T258 F260 | F133-P229 HydrophobicContact CE2-CB 4.43Å; M150-P229 HydrophobicContact CE-CB 3.78Å; F152-P229 HydrophobicContact CD1-CB 4.29Å; F152-P229 HydrophobicContact CD1-CG 4.17Å; F152-P229 HydrophobicContact CE1-CB 4.05Å; F152-P229 HydrophobicContact CE1-CG 3.92Å; P229-T258 WeakPolarHBondContact CD-O 3.13Å; P229-T258 WeakPolarHBondContact CG-O 3.42Å; P229-F260 HydrophobicContact CG-CD1 4.2Å; P229-F260 HydrophobicContact CG-CE1 3.96Å |
| 230 | R | 98 | Very high | 92.7 | Very high | 29 Ų | 29 | 39.2 Ų | 39.2 | 11% | 0.109 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 140.5 | 164.7 | -43.6 | -171.3 | -66.8 | -172.2 | -1.9 | 109.2 | N22 M150 D151 L153 H232 T252 V254 | N22-R230 PolarHBondContact ND2-NH2 3.33Å; N22-R230 VanDerWaalsContact OD1-CZ 3.27Å; N22-R230 PolarHBondContact OD1-NH1 2.88Å; N22-R230 PolarHBondContact OD1-NH2 3.43Å; M150-R230 VanDerWaalsContact CA-O 3.3Å; M150-R230 WeakPolarHBondContact CA-O 3.45Å; D151-R230 PolarHBondContact N-O 2.89Å; D151-R230 VanDerWaalsContact N-O 3.14Å; D151-R230 PolarHBondContact O-N 3.43Å; D151-R230 WeakPolarHBondContact OD1-CB 3.41Å; D151-R230 IonicContact OD1-CZ 3.21Å; D151-R230 IonicContact OD1-NE 3.71Å; D151-R230 PolarHBondContact OD1-NE 3.32Å; D151-R230 IonicContact OD1-NH2 2.67Å; D151-R230 PolarHBondContact OD1-NH2 2.92Å; D151-R230 IonicContact OD2-CZ 2.72Å; D151-R230 IonicContact OD2-NE 3.59Å; D151-R230 IonicContact OD2-NH2 2.93Å; D151-R230 PolarHBondContact OD2-NH2 3.34Å; L153-R230 HydrophobicContact CG-CG 4.3Å; R230-H232 WeakPolarHBondContact CB-NE2 3.38Å; R230-H232 PolarHBondContact NE-CE1 3.08Å; R230-H232 PolarHBondContact NE-NE2 3.09Å; R230-H232 VanDerWaalsContact NE-NE2 3.14Å; R230-H232 PolarHBondContact NH2-CE1 3.49Å; R230-T252 HydrophobicContact CB-CG2 3.81Å; R230-T252 HydrophobicContact CG-CG2 4.45Å; R230-V254 HydrophobicContact CB-CG2 4.32Å; R230-V254 HydrophobicContact CG-CG2 4.06Å |
| 231 | F | 98.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 133.2 | 173.8 | 171.7 | -110.3 | 0 | 0 | 0 | 109.3 | V102 F133 V135 I137 L148 M150 F203 V233 T252 F253 | V102-F231 HydrophobicContact CG1-CD1 3.96Å; V102-F231 HydrophobicContact CG1-CE1 3.91Å; V102-F231 HydrophobicContact CG2-CD1 4.21Å; V102-F231 HydrophobicContact CG2-CE1 3.82Å; F133-F231 HydrophobicContact CE1-CB 3.8Å; F133-F231 HydrophobicContact CE1-CD2 4.25Å; F133-F231 HydrophobicContact CE1-CG 4.14Å; F133-F231 HydrophobicContact CZ-CB 3.78Å; V135-F231 HydrophobicContact CG2-CD1 4.47Å; V135-F231 HydrophobicContact CG2-CE1 4.1Å; V135-F231 HydrophobicContact CG2-CE2 4.16Å; V135-F231 HydrophobicContact CG2-CZ 3.93Å; I137-F231 HydrophobicContact CD1-CE1 4.18Å; I137-F231 HydrophobicContact CD1-CZ 3.75Å; L148-F231 HydrophobicContact CB-CE2 4.1Å; L148-F231 HydrophobicContact CB-CZ 4.41Å; L148-F231 HydrophobicContact CD1-CE2 4.33Å; L148-F231 HydrophobicContact CD1-CZ 4.05Å; L148-F231 HydrophobicContact CD2-CE2 4.31Å; L148-F231 HydrophobicContact CD2-CZ 3.8Å; L148-F231 HydrophobicContact CG-CE2 4.49Å; L148-F231 HydrophobicContact CG-CZ 4.32Å; M150-F231 HydrophobicContact CG-CD2 4.27Å; F203-F231 AromaticContact CE2-CD2 3.77Å; F203-F231 HydrophobicContact CE2-CD2 3.77Å; F203-F231 AromaticContact CE2-CE2 3.62Å; F203-F231 HydrophobicContact CE2-CE2 3.62Å; F203-F231 HydrophobicContact CZ-CD2 4Å; F203-F231 AromaticContact CZ-CE2 3.79Å; F203-F231 HydrophobicContact CZ-CE2 3.79Å; F231-V233 HydrophobicContact CD1-CG2 4.38Å; F231-V233 HydrophobicContact CE1-CG2 3.55Å; F231-V233 HydrophobicContact CZ-CG2 3.9Å; F231-T252 CarbonylContact O-C 3.57Å; F231-T252 WeakPolarHBondContact O-CA 3.45Å; F231-F253 HydrophobicContact CD1-CB 4.23Å; F231-F253 AromaticContact CD1-CD2 3.92Å; F231-F253 HydrophobicContact CD1-CD2 3.92Å; F231-F253 HydrophobicContact CD1-CG 4.36Å; F231-F253 HydrophobicContact CE1-CD2 4.35Å; F231-F253 PolarHBondContact N-O 2.91Å; F231-F253 PolarHBondContact O-N 2.93Å |
| 232 | H | 96.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 131.3 | -175 | -54.9 | -98.6 | 0 | 0 | 0 | 110.7 | L149 D151 R230 T252 | L149-H232 HydrophobicContact CD1-CB 3.73Å; L149-H232 HydrophobicContact CG-CB 4.04Å; L149-H232 PolarHBondContact N-O 2.79Å; L149-H232 VanDerWaalsContact N-O 3.11Å; L149-H232 PolarHBondContact O-N 3.13Å; D151-H232 WeakPolarHBondContact CB-NE2 3.3Å; D151-H232 IonicContact OD1-CD2 2.67Å; D151-H232 IonicContact OD1-CE1 2.76Å; D151-H232 CovalentContact OD1-NE2 1.76Å; D151-H232 IonicContact OD1-NE2 3.75Å; D151-H232 PolarHBondContact OD1-NE2 3.15Å; D151-H232 IonicContact OD2-NE2 3.78Å; D151-H232 PolarHBondContact OD2-NE2 3.11Å; R230-H232 WeakPolarHBondContact CB-NE2 3.38Å; R230-H232 PolarHBondContact NE-CE1 3.08Å; R230-H232 PolarHBondContact NE-NE2 3.09Å; R230-H232 VanDerWaalsContact NE-NE2 3.14Å; R230-H232 PolarHBondContact NH2-CE1 3.49Å; H232-T252 VanDerWaalsContact CE1-CG2 3.4Å; H232-T252 WeakPolarHBondContact CE1-CG2 3.32Å; H232-T252 PolarHBondContact CE1-OG1 2.83Å; H232-T252 PolarHBondContact ND1-OG1 2.87Å |
| 233 | V | 96.4 | Very high | 88 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119.3 | 170.1 | -176.1 | 0 | 0 | 0 | 0 | 107.6 | I100 M140 Y146 L148 F231 Y250 K251 F253 | I100-V233 HydrophobicContact CD1-CG1 3.69Å; I100-V233 HydrophobicContact CG2-CG2 4.42Å; M140-V233 HydrophobicContact CE-CG1 3.79Å; Y146-V233 HydrophobicContact CD1-CG1 3.83Å; Y146-V233 HydrophobicContact CE1-CG1 4.42Å; Y146-V233 HydrophobicContact CG-CG1 4.49Å; L148-V233 HydrophobicContact CD2-CB 4.1Å; L148-V233 HydrophobicContact CD2-CG1 3.91Å; L148-V233 HydrophobicContact CD2-CG2 3.77Å; F231-V233 HydrophobicContact CD1-CG2 4.38Å; F231-V233 HydrophobicContact CE1-CG2 3.55Å; F231-V233 HydrophobicContact CZ-CG2 3.9Å; V233-Y250 CarbonylContact O-C 3.56Å; V233-Y250 VanDerWaalsContact O-CA 3.31Å; V233-Y250 WeakPolarHBondContact O-CA 3.21Å; V233-K251 PolarHBondContact N-O 3.03Å; V233-K251 PolarHBondContact O-N 2.67Å; V233-F253 HydrophobicContact CB-CE2 4.28Å; V233-F253 HydrophobicContact CG2-CD2 4.21Å; V233-F253 HydrophobicContact CG2-CE2 3.67Å |
| 234 | V | 94.4 | Very high | 86.3 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 13% | 0.127 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 122.9 | 179.1 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | Y146 M147 L149 | Y146-V234 CarbonylContact C-O 3.6Å; Y146-V234 WeakPolarHBondContact CA-O 3.31Å; M147-V234 HydrophobicContact CB-CB 4.43Å; M147-V234 HydrophobicContact CE-CG1 4.27Å; M147-V234 PolarHBondContact N-O 3.37Å; M147-V234 PolarHBondContact O-N 3.36Å; L149-V234 HydrophobicContact CD2-CG2 4.3Å |
| 235 | Y | 92.8 | Very high | 84.7 | Confident | 34 Ų | 34 | 56.7 Ų | 56.7 | 13% | 0.133 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 128.7 | 169.8 | 166 | -109.2 | 0 | 0 | 0 | 109.8 | N94 K96 A144 Y146 D237 N249 | N94-Y235 WeakPolarHBondContact ND2-CD1 3.37Å; K96-Y235 HydrophobicContact CB-CD1 4.38Å; K96-Y235 HydrophobicContact CB-CD2 3.95Å; K96-Y235 HydrophobicContact CB-CE2 4.29Å; K96-Y235 HydrophobicContact CB-CG 4Å; K96-Y235 HydrophobicContact CG-CD2 4.28Å; K96-Y235 HydrophobicContact CG-CE1 4.47Å; K96-Y235 HydrophobicContact CG-CE2 4.1Å; A144-Y235 HydrophobicContact CB-CD2 3.98Å; A144-Y235 HydrophobicContact CB-CE2 3.74Å; Y146-Y235 HydrophobicContact CE1-CD2 4.24Å; Y235-D237 HydrophobicContact CD1-CB 4.14Å; Y235-D237 HydrophobicContact CE1-CB 3.55Å; Y235-D237 PolarHBondContact O-N 3.34Å; Y235-N249 PolarHBondContact N-O 2.93Å |
| 236 | V | 88.9 | Confident | 83.3 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | trans | -89.4 | 99.2 | 175.8 | -174 | 0 | 0 | 0 | 0 | 108 | M10 D145 M147 P190 P238 | M10-V236 HydrophobicContact CE-CG1 4.37Å; D145-V236 HydrophobicContact CB-CB 4.13Å; D145-V236 PolarHBondContact O-N 2.96Å; M147-V236 HydrophobicContact CE-CG2 4.22Å; M147-V236 HydrophobicContact CG-CG2 3.75Å; M147-V236 HydrophobicContact SD-CG2 4.44Å; P190-V236 HydrophobicContact CB-CG2 4.26Å; V236-P238 WeakPolarHBondContact O-CD 3.25Å | ||
| 237 | D | 82.3 | Confident | 82 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | trans | -73.2 | 122.4 | 174.1 | -168.6 | -20.6 | 0 | 0 | 0 | 110.1 | Y235 R239 | Y235-D237 HydrophobicContact CD1-CB 4.14Å; Y235-D237 HydrophobicContact CE1-CB 3.55Å; Y235-D237 PolarHBondContact O-N 3.34Å; D237-R239 PolarHBondContact O-N 3.4Å; D237-R239 WeakPolarHBondContact OD1-CB 3.47Å; D237-R239 WeakPolarHBondContact OD1-CD 3.3Å; D237-R239 WeakPolarHBondContact OD1-CG 3.5Å; D237-R239 PolarHBondContact OD1-N 2.89Å | ||
| 238 | P | 77.3 | Confident | 81 | Confident | 112 Ų | 112 | 60.6 Ų | 60.6 | 73% | 0.727 | 29% | 0.286 | S | S | * | . | trans | -63.8 | -6.2 | 177.4 | -23 | 35.3 | 0 | 0 | 0 | 115.3 | V236 | V236-P238 WeakPolarHBondContact O-CD 3.25Š| ||
| 239 | R | 77.8 | Confident | 80.4 | Confident | 154 Ų | 154 | 59.8 Ų | 59.8 | 58% | 0.581 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -73.8 | 147 | 178.8 | -66.7 | 170.7 | -176.8 | 180 | 0.2 | 112.7 | D237 D241 S242 | D237-R239 PolarHBondContact O-N 3.4Å; D237-R239 WeakPolarHBondContact OD1-CB 3.47Å; D237-R239 WeakPolarHBondContact OD1-CD 3.3Å; D237-R239 WeakPolarHBondContact OD1-CG 3.5Å; D237-R239 PolarHBondContact OD1-N 2.89Å; R239-D241 VanDerWaalsContact C-N 3.28Å; R239-D241 PolarHBondContact O-N 3.18Å; R239-S242 VanDerWaalsContact O-CB 3.26Å; R239-S242 WeakPolarHBondContact O-CB 3.11Å; R239-S242 PolarHBondContact O-N 2.82Å; R239-S242 PolarHBondContact O-OG 2.88Å |
| 240 | K | 65.8 | Low | 80 | Confident | 221 Ų | 221 | 62 Ų | 62 | 96% | 0.961 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -11.4 | 178.3 | -67.4 | -169.7 | 176.6 | -173.2 | 0 | 114.7 | ||
| 241 | D | 65.4 | Low | 79.8 | Confident | 58 Ų | 58 | 63 Ų | 63 | 31% | 0.31 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 19.4 | 176.3 | 68.4 | -36.7 | 0 | 0 | 0 | 112.9 | R239 E243 K244 | R239-D241 VanDerWaalsContact C-N 3.28Å; R239-D241 PolarHBondContact O-N 3.18Å; D241-E243 PolarHBondContact O-N 3.2Å; D241-K244 HydrophobicContact CB-CD 4.1Å; D241-K244 WeakPolarHBondContact O-CB 3.45Å; D241-K244 PolarHBondContact O-N 3.08Å |
| 242 | S | 65.2 | Low | 79.7 | Confident | 21 Ų | 21 | 65.1 Ų | 65.1 | 15% | 0.147 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -56.1 | -28.9 | -177.8 | 46.2 | 0 | 0 | 0 | 0 | 114.8 | R239 K244 Y245 A246 | R239-S242 VanDerWaalsContact O-CB 3.26Å; R239-S242 WeakPolarHBondContact O-CB 3.11Å; R239-S242 PolarHBondContact O-N 2.82Å; R239-S242 PolarHBondContact O-OG 2.88Å; S242-K244 PolarHBondContact O-N 3.07Å; S242-Y245 PolarHBondContact O-N 3.26Å; S242-Y245 VanDerWaalsContact O-N 3.14Å; S242-A246 PolarHBondContact O-N 3.37Å |
| 243 | E | 62.3 | Low | 79.7 | Confident | 118 Ų | 118 | 66.3 Ų | 66.3 | 55% | 0.551 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -55.8 | -35 | 173 | -63 | -171.3 | 146.4 | 0 | 0 | 112.9 | F13 D241 Y245 A246 | F13-E243 HydrophobicContact CD2-CB 4.18Å; F13-E243 HydrophobicContact CD2-CG 3.9Å; F13-E243 HydrophobicContact CE2-CB 3.75Å; F13-E243 HydrophobicContact CE2-CG 4Å; F13-E243 HydrophobicContact CZ-CB 4.42Å; D241-E243 PolarHBondContact O-N 3.2Å; E243-Y245 PolarHBondContact O-N 3.44Å; E243-A246 WeakPolarHBondContact O-CB 3.46Å; E243-A246 PolarHBondContact O-N 2.92Å |
| 244 | K | 61.2 | Low | 79.8 | Confident | 162 Ų | 162 | 70 Ų | 70 | 70% | 0.704 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -66.3 | -24.2 | -179.8 | -61.5 | 179.2 | -174 | 167.9 | 0 | 113.4 | D241 S242 | D241-K244 HydrophobicContact CB-CD 4.1Å; D241-K244 WeakPolarHBondContact O-CB 3.45Å; D241-K244 PolarHBondContact O-N 3.08Å; S242-K244 PolarHBondContact O-N 3.07Å |
| 245 | Y | 64.3 | Low | 80 | Confident | 94 Ų | 94 | 70.4 Ų | 70.4 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -108.5 | 11.7 | -177.1 | -58.1 | -79.4 | 0 | 0 | 0 | 112 | S242 E243 E247 E248 N249 | S242-Y245 PolarHBondContact O-N 3.26Å; S242-Y245 VanDerWaalsContact O-N 3.14Å; E243-Y245 PolarHBondContact O-N 3.44Å; Y245-E247 VanDerWaalsContact C-N 3.33Å; Y245-E247 PolarHBondContact O-N 2.98Å; Y245-E248 WeakPolarHBondContact O-CB 3.39Å; Y245-E248 PolarHBondContact O-N 3.45Å; Y245-N249 VanDerWaalsContact O-CG 3.24Å; Y245-N249 PolarHBondContact O-N 2.83Å; Y245-N249 PolarHBondContact O-ND2 3.08Å |
| 246 | A | 69 | Low | 80.2 | Confident | 17 Ų | 17 | 74.9 Ų | 74.9 | 14% | 0.14 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59 | -39.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114 | F13 S242 E243 E248 N249 Y250 | F13-A246 HydrophobicContact CD1-CB 4.47Å; F13-A246 HydrophobicContact CE1-CB 3.24Å; F13-A246 HydrophobicContact CE2-CB 4.43Å; F13-A246 HydrophobicContact CZ-CB 3.21Å; S242-A246 PolarHBondContact O-N 3.37Å; E243-A246 WeakPolarHBondContact O-CB 3.46Å; E243-A246 PolarHBondContact O-N 2.92Å; A246-E248 PolarHBondContact O-N 3.12Å; A246-N249 PolarHBondContact O-N 2.73Å; A246-Y250 WeakPolarHBondContact O-CD1 3.2Å |
| 247 | E | 70.5 | Confident | 80.7 | Confident | 98 Ų | 98 | 74.4 Ų | 74.4 | 46% | 0.458 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.5 | -28.6 | 178.4 | -63.3 | -167.6 | 170.4 | 0 | 0 | 113.1 | K93 Y245 | K93-E247 PolarHBondContact NZ-O 2.76Å; K93-E247 VanDerWaalsContact NZ-O 3.11Å; Y245-E247 VanDerWaalsContact C-N 3.33Å; Y245-E247 PolarHBondContact O-N 2.98Å |
| 248 | E | 78.1 | Confident | 81.4 | Confident | 62 Ų | 62 | 73.6 Ų | 73.6 | 29% | 0.29 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -80.2 | -29.4 | 173.3 | -63.2 | -178.3 | 169.9 | 0 | 0 | 112 | V91 N94 V97 Y245 A246 Y250 | V91-E248 HydrophobicContact CG1-CG 3.59Å; N94-E248 HydrophobicContact CB-CB 4.36Å; N94-E248 WeakPolarHBondContact CB-O 3.29Å; N94-E248 PolarHBondContact N-O 3.19Å; V97-E248 WeakPolarHBondContact CG2-O 3.47Å; Y245-E248 WeakPolarHBondContact O-CB 3.39Å; Y245-E248 PolarHBondContact O-N 3.45Å; A246-E248 PolarHBondContact O-N 3.12Å; E248-Y250 PolarHBondContact O-N 3.12Å |
| 249 | N | 86.3 | Confident | 82.4 | Confident | 6 Ų | 6 | 72.5 Ų | 72.5 | 3% | 0.032 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -82.8 | -3.1 | -171.6 | -73.9 | -24.5 | 0 | 0 | 0 | 115.5 | N94 V97 Y235 Y245 A246 | N94-N249 PolarHBondContact ND2-OD1 2.67Å; V97-N249 WeakPolarHBondContact CG1-O 3.35Å; Y235-N249 PolarHBondContact N-O 2.93Å; Y245-N249 VanDerWaalsContact O-CG 3.24Å; Y245-N249 PolarHBondContact O-N 2.83Å; Y245-N249 PolarHBondContact O-ND2 3.08Å; A246-N249 PolarHBondContact O-N 2.73Å |
| 250 | Y | 89.2 | Confident | 83.4 | Confident | 47 Ų | 47 | 65.4 Ų | 65.4 | 18% | 0.184 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 153.4 | 176.4 | 84.3 | -85.6 | 0 | 0 | 0 | 114.2 | L18 L21 K93 V233 A246 E248 T252 | L18-Y250 HydrophobicContact CD2-CE2 4.44Å; L21-Y250 HydrophobicContact CD1-CE1 4.2Å; L21-Y250 VanDerWaalsContact CD1-OH 3.3Å; L21-Y250 WeakPolarHBondContact CD1-OH 3.42Å; K93-Y250 PolarHBondContact NZ-O 2.86Å; V233-Y250 CarbonylContact O-C 3.56Å; V233-Y250 VanDerWaalsContact O-CA 3.31Å; V233-Y250 WeakPolarHBondContact O-CA 3.21Å; A246-Y250 WeakPolarHBondContact O-CD1 3.2Å; E248-Y250 PolarHBondContact O-N 3.12Å; Y250-T252 VanDerWaalsContact CE2-OG1 3.24Å; Y250-T252 WeakPolarHBondContact CE2-OG1 3.44Å |
| 251 | K | 93.8 | Very high | 85 | Confident | 51 Ų | 51 | 55.1 Ų | 55.1 | 22% | 0.222 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 124.5 | 168.6 | -170.8 | 169.7 | 177.4 | -177.1 | 0 | 110.3 | V97 A98 I100 V233 F253 | V97-K251 HydrophobicContact CB-CB 4.15Å; V97-K251 HydrophobicContact CG2-CB 4.48Å; V97-K251 WeakPolarHBondContact O-CD 3.36Å; A98-K251 PolarHBondContact O-NZ 2.8Å; I100-K251 WeakPolarHBondContact O-CE 3.32Å; I100-K251 PolarHBondContact O-NZ 3.02Å; V233-K251 PolarHBondContact N-O 3.03Å; V233-K251 PolarHBondContact O-N 2.67Å; K251-F253 HydrophobicContact CB-CE2 4.01Å; K251-F253 HydrophobicContact CB-CZ 4.28Å; K251-F253 HydrophobicContact CD-CE1 4.2Å; K251-F253 HydrophobicContact CD-CE2 4.17Å; K251-F253 HydrophobicContact CD-CZ 3.57Å; K251-F253 HydrophobicContact CG-CE1 4.36Å; K251-F253 HydrophobicContact CG-CE2 3.76Å; K251-F253 HydrophobicContact CG-CZ 3.66Å; K251-F253 WeakPolarHBondContact O-CE2 3.4Å |
| 252 | T | 95.8 | Very high | 86.6 | Confident | 43 Ų | 43 | 52.3 Ų | 52.3 | 26% | 0.264 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 141.9 | 176.3 | -52.1 | 0 | 0 | 0 | 0 | 110.3 | R230 F231 H232 Y250 V254 | R230-T252 HydrophobicContact CB-CG2 3.81Å; R230-T252 HydrophobicContact CG-CG2 4.45Å; F231-T252 CarbonylContact O-C 3.57Å; F231-T252 WeakPolarHBondContact O-CA 3.45Å; H232-T252 VanDerWaalsContact CE1-CG2 3.4Å; H232-T252 WeakPolarHBondContact CE1-CG2 3.32Å; H232-T252 PolarHBondContact CE1-OG1 2.83Å; H232-T252 PolarHBondContact ND1-OG1 2.87Å; Y250-T252 VanDerWaalsContact CE2-OG1 3.24Å; Y250-T252 WeakPolarHBondContact CE2-OG1 3.44Å; T252-V254 HydrophobicContact CG2-CG2 4.08Å |
| 253 | F | 97.6 | Very high | 88.2 | Confident | 27 Ų | 27 | 51.3 Ų | 51.3 | 12% | 0.118 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132.7 | 175 | -57.4 | -95 | 0 | 0 | 0 | 107.9 | I100 V102 F231 V233 K251 F255 | I100-F253 HydrophobicContact CB-CZ 4.31Å; I100-F253 HydrophobicContact CG2-CE2 4.44Å; I100-F253 HydrophobicContact CG2-CZ 3.95Å; I100-F253 WeakPolarHBondContact O-CZ 3.5Å; V102-F253 HydrophobicContact CB-CD1 3.74Å; V102-F253 HydrophobicContact CB-CD2 4.41Å; V102-F253 HydrophobicContact CB-CE1 3.97Å; V102-F253 HydrophobicContact CB-CG 3.97Å; V102-F253 HydrophobicContact CB-CZ 4.4Å; V102-F253 HydrophobicContact CG2-CD1 3.69Å; V102-F253 HydrophobicContact CG2-CD2 3.7Å; V102-F253 HydrophobicContact CG2-CE1 3.55Å; V102-F253 HydrophobicContact CG2-CE2 3.57Å; V102-F253 HydrophobicContact CG2-CG 3.76Å; V102-F253 HydrophobicContact CG2-CZ 3.49Å; V102-F253 VanDerWaalsContact CG2-CZ 3.49Å; F231-F253 HydrophobicContact CD1-CB 4.23Å; F231-F253 AromaticContact CD1-CD2 3.92Å; F231-F253 HydrophobicContact CD1-CD2 3.92Å; F231-F253 HydrophobicContact CD1-CG 4.36Å; F231-F253 HydrophobicContact CE1-CD2 4.35Å; F231-F253 PolarHBondContact N-O 2.91Å; F231-F253 PolarHBondContact O-N 2.93Å; V233-F253 HydrophobicContact CB-CE2 4.28Å; V233-F253 HydrophobicContact CG2-CD2 4.21Å; V233-F253 HydrophobicContact CG2-CE2 3.67Å; K251-F253 HydrophobicContact CB-CE2 4.01Å; K251-F253 HydrophobicContact CB-CZ 4.28Å; K251-F253 HydrophobicContact CD-CE1 4.2Å; K251-F253 HydrophobicContact CD-CE2 4.17Å; K251-F253 HydrophobicContact CD-CZ 3.57Å; K251-F253 HydrophobicContact CG-CE1 4.36Å; K251-F253 HydrophobicContact CG-CE2 3.76Å; K251-F253 HydrophobicContact CG-CZ 3.66Å; K251-F253 WeakPolarHBondContact O-CE2 3.4Å; F253-F255 HydrophobicContact CB-CE2 4.23Å |
| 254 | V | 98.1 | Very high | 89.9 | Confident | 77 Ų | 77 | 49 Ų | 49 | 47% | 0.467 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 126.6 | -177.5 | -174 | 0 | 0 | 0 | 0 | 107.5 | Q228 R230 T252 | Q228-V254 HydrophobicContact CG-CG1 3.57Å; R230-V254 HydrophobicContact CB-CG2 4.32Å; R230-V254 HydrophobicContact CG-CG2 4.06Å; T252-V254 HydrophobicContact CG2-CG2 4.08Å |
| 255 | F | 98.2 | Very high | 91.6 | Very high | 30 Ų | 30 | 42.5 Ų | 42.5 | 13% | 0.132 | 21% | 0.209 | C | C | . | . | trans | -112.6 | 106.6 | -179.2 | -66.7 | -71.8 | 0 | 0 | 0 | 107.9 | V102 L104 F133 V135 Q228 F253 E257 T258 | V102-F255 HydrophobicContact CB-CZ 4.31Å; V102-F255 HydrophobicContact CG1-CE2 4.18Å; V102-F255 HydrophobicContact CG1-CZ 3.96Å; L104-F255 HydrophobicContact CB-CD1 3.84Å; L104-F255 HydrophobicContact CB-CD2 4.42Å; L104-F255 HydrophobicContact CB-CE1 3.88Å; L104-F255 HydrophobicContact CB-CE2 4.45Å; L104-F255 HydrophobicContact CB-CG 4.13Å; L104-F255 HydrophobicContact CB-CZ 4.19Å; L104-F255 HydrophobicContact CD1-CD2 4.38Å; L104-F255 HydrophobicContact CD2-CB 4.15Å; L104-F255 HydrophobicContact CD2-CD1 4.44Å; L104-F255 HydrophobicContact CD2-CG 4.27Å; F133-F255 HydrophobicContact CE2-CD2 4.06Å; F133-F255 AromaticContact CZ-CD2 3.79Å; F133-F255 HydrophobicContact CZ-CD2 3.79Å; F133-F255 HydrophobicContact CZ-CE2 4.12Å; V135-F255 HydrophobicContact CG1-CE2 4.09Å; Q228-F255 PolarHBondContact NE2-O 2.78Å; F253-F255 HydrophobicContact CB-CE2 4.23Å; F255-E257 WeakPolarHBondContact CA-OE2 3.41Å; F255-E257 WeakPolarHBondContact CB-OE2 3.43Å; F255-E257 PolarHBondContact O-N 3.05Å; F255-T258 HydrophobicContact CB-CG2 3.88Å; F255-T258 PolarHBondContact O-N 3.08Å; F255-T258 PolarHBondContact O-OG1 2.84Å | ||
| 256 | E | 98.1 | Very high | 93.2 | Very high | 127 Ų | 127 | 39.5 Ų | 39.5 | 59% | 0.593 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -63.7 | -21.8 | -172.3 | -94 | -160.2 | -117.4 | 0 | 0 | 114 | T258 R259 | E256-T258 VanDerWaalsContact C-N 3.33Å; E256-R259 VanDerWaalsContact CB-NH2 3.31Å; E256-R259 VanDerWaalsContact O-CZ 3.29Å; E256-R259 PolarHBondContact O-NE 3.41Å; E256-R259 PolarHBondContact O-NH2 3.26Å; E256-R259 IonicContact OE2-CZ 3.7Å; E256-R259 IonicContact OE2-NH1 3.31Å; E256-R259 IonicContact OE2-NH2 2.76Å; E256-R259 PolarHBondContact OE2-NH2 3.27Å |
| 257 | E | 97.8 | Very high | 94.6 | Very high | 21 Ų | 21 | 40.6 Ų | 40.6 | 10% | 0.098 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -76.3 | -17.3 | 172.1 | 64.1 | -88.3 | -112.2 | 0 | 0 | 113.3 | L104 K107 W110 D111 N114 F255 R259 | L104-E257 HydrophobicContact CD2-CG 3.61Å; K107-E257 WeakPolarHBondContact CE-OE1 3.34Å; K107-E257 WeakPolarHBondContact CG-OE1 3.35Å; K107-E257 IonicContact NZ-OE1 3.3Å; K107-E257 PolarHBondContact NZ-OE1 3.42Å; W110-E257 HydrophobicContact CB-CB 4.35Å; W110-E257 HydrophobicContact CB-CG 3.88Å; D111-E257 WeakPolarHBondContact OD1-CB 3.41Å; N114-E257 HydrophobicContact CB-CB 4.41Å; F255-E257 WeakPolarHBondContact CA-OE2 3.41Å; F255-E257 WeakPolarHBondContact CB-OE2 3.43Å; F255-E257 PolarHBondContact O-N 3.05Å; E257-R259 VanDerWaalsContact C-N 3.34Å |
| 258 | T | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -87.5 | 0.1 | -179.5 | 66.3 | 0 | 0 | 0 | 0 | 114.1 | L104 W110 F133 Q228 P229 F255 E256 | L104-T258 HydrophobicContact CD1-CG2 3.99Å; L104-T258 HydrophobicContact CD2-CG2 3.68Å; W110-T258 HydrophobicContact CD2-CG2 3.69Å; W110-T258 HydrophobicContact CE3-CG2 3.79Å; W110-T258 HydrophobicContact CG-CG2 4.18Å; W110-T258 HydrophobicContact CH2-CG2 4.25Å; W110-T258 HydrophobicContact CZ2-CG2 4.18Å; W110-T258 HydrophobicContact CZ3-CG2 4.06Å; F133-T258 HydrophobicContact CD2-CG2 4.09Å; F133-T258 HydrophobicContact CE2-CG2 3.98Å; Q228-T258 PolarHBondContact NE2-OG1 3.1Å; P229-T258 WeakPolarHBondContact CD-O 3.13Å; P229-T258 WeakPolarHBondContact CG-O 3.42Å; F255-T258 HydrophobicContact CB-CG2 3.88Å; F255-T258 PolarHBondContact O-N 3.08Å; F255-T258 PolarHBondContact O-OG1 2.84Å; E256-T258 VanDerWaalsContact C-N 3.33Å |
| 259 | R | 98.3 | Very high | 96.7 | Very high | 88 Ų | 88 | 38.8 Ų | 38.8 | 33% | 0.332 | 19% | 0.191 | S | C | . | . | trans | -62.2 | 145.3 | 174.4 | 88.1 | -174.5 | 81.1 | -167.6 | 7.6 | 110.9 | T118 Y227 E256 E257 | T118-R259 VanDerWaalsContact CB-O 3.32Å; T118-R259 WeakPolarHBondContact CB-O 3.22Å; T118-R259 PolarHBondContact OG1-O 3.19Å; Y227-R259 WeakPolarHBondContact O-CA 3.25Å; E256-R259 VanDerWaalsContact CB-NH2 3.31Å; E256-R259 VanDerWaalsContact O-CZ 3.29Å; E256-R259 PolarHBondContact O-NE 3.41Å; E256-R259 PolarHBondContact O-NH2 3.26Å; E256-R259 IonicContact OE2-CZ 3.7Å; E256-R259 IonicContact OE2-NH1 3.31Å; E256-R259 IonicContact OE2-NH2 2.76Å; E256-R259 PolarHBondContact OE2-NH2 3.27Å; E257-R259 VanDerWaalsContact C-N 3.34Å | ||
| 260 | F | 98.8 | Very high | 97.3 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 2% | 0.022 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 164.7 | -178.9 | 67.5 | -85.4 | 0 | 0 | 0 | 113 | T118 M120 F152 L208 L221 R226 Y227 P229 A262 | T118-F260 HydrophobicContact CG2-CB 3.67Å; T118-F260 CarbonylContact O-C 3.55Å; T118-F260 VanDerWaalsContact O-CA 3.23Å; T118-F260 WeakPolarHBondContact O-CA 3.44Å; T118-F260 WeakPolarHBondContact O-CB 3.2Å; M120-F260 HydrophobicContact CB-CD2 3.49Å; M120-F260 VanDerWaalsContact CB-CD2 3.49Å; M120-F260 HydrophobicContact CB-CE2 3.72Å; M120-F260 HydrophobicContact CB-CG 4.2Å; M120-F260 HydrophobicContact CG-CB 3.94Å; M120-F260 HydrophobicContact CG-CD1 4.14Å; M120-F260 HydrophobicContact CG-CD2 3.37Å; M120-F260 HydrophobicContact CG-CE2 3.84Å; M120-F260 HydrophobicContact CG-CG 3.54Å; M120-F260 HydrophobicContact CG-CZ 4.4Å; F152-F260 AromaticContact CD1-CE1 3.72Å; F152-F260 HydrophobicContact CD1-CE1 3.72Å; F152-F260 AromaticContact CD1-CZ 3.84Å; F152-F260 HydrophobicContact CD1-CZ 3.84Å; F152-F260 AromaticContact CE1-CE1 3.73Å; F152-F260 HydrophobicContact CE1-CE1 3.73Å; F152-F260 AromaticContact CE1-CZ 3.96Å; F152-F260 HydrophobicContact CE1-CZ 3.96Å; L208-F260 HydrophobicContact CD1-CE2 3.95Å; L208-F260 HydrophobicContact CD1-CZ 3.84Å; L221-F260 HydrophobicContact CD1-CE2 3.84Å; L221-F260 HydrophobicContact CD1-CZ 3.68Å; R226-F260 CarbonylContact C-O 3.57Å; R226-F260 WeakPolarHBondContact CA-O 3.26Å; Y227-F260 HydrophobicContact CD2-CE2 4.42Å; Y227-F260 PolarHBondContact N-O 2.81Å; Y227-F260 PolarHBondContact O-N 3.27Å; P229-F260 HydrophobicContact CG-CD1 4.2Å; P229-F260 HydrophobicContact CG-CE1 3.96Å; F260-A262 HydrophobicContact CE2-CB 4.17Å |
| 261 | T | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 125.6 | 166.4 | -46.5 | 0 | 0 | 0 | 0 | 109.2 | T118 E119 M120 W169 H225 R226 V263 | T118-T261 PolarHBondContact O-N 2.96Å; E119-T261 WeakPolarHBondContact CA-O 3.48Å; M120-T261 PolarHBondContact N-O 3.23Å; M120-T261 VanDerWaalsContact N-O 3.08Å; W169-T261 HydrophobicContact CH2-CG2 3.69Å; W169-T261 HydrophobicContact CZ2-CG2 4.16Å; W169-T261 HydrophobicContact CZ3-CG2 3.92Å; H225-T261 WeakPolarHBondContact O-CA 3.45Å; R226-T261 HydrophobicContact CG-CG2 4.45Å; T261-V263 HydrophobicContact CG2-CG1 4.34Å |
| 262 | A | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 132.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | V122 L221 M224 H225 Y227 F260 | V122-A262 HydrophobicContact CG1-CB 4.08Å; L221-A262 HydrophobicContact CB-CB 4.24Å; L221-A262 HydrophobicContact CD1-CB 4.27Å; M224-A262 WeakPolarHBondContact CA-O 3.48Å; M224-A262 PolarHBondContact N-O 3.24Å; H225-A262 PolarHBondContact O-N 2.99Å; Y227-A262 HydrophobicContact CD2-CB 3.98Å; Y227-A262 HydrophobicContact CE2-CB 3.96Å; F260-A262 HydrophobicContact CE2-CB 4.17Å |
| 263 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 153.4 | -177.4 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | E119 M120 I121 V122 W169 M224 T261 A265 Y266 Q267 | E119-V263 HydrophobicContact CB-CG2 4.03Å; M120-V263 PolarHBondContact O-N 3.24Å; I121-V263 CarbonylContact C-O 3.51Å; I121-V263 VanDerWaalsContact CA-O 3.25Å; I121-V263 WeakPolarHBondContact CA-O 3.25Å; I121-V263 HydrophobicContact CD1-CG2 3.89Å; V122-V263 WeakPolarHBondContact CG2-O 3.43Å; V122-V263 PolarHBondContact N-O 2.84Å; W169-V263 HydrophobicContact CH2-CG1 3.91Å; W169-V263 HydrophobicContact CZ2-CG1 4.45Å; M224-V263 HydrophobicContact SD-CG1 4.03Å; T261-V263 HydrophobicContact CG2-CG1 4.34Å; V263-A265 WeakPolarHBondContact CB-O 3.36Å; V263-A265 WeakPolarHBondContact CG2-O 3.42Å; V263-Y266 HydrophobicContact CG2-CD1 4.47Å; V263-Q267 HydrophobicContact CG1-CG 4.2Å |
| 264 | T | 98.2 | Very high | 97.8 | Very high | 69 Ų | 69 | 45.1 Ų | 45.1 | 42% | 0.423 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -87.3 | -19.4 | 174.5 | 41.3 | 0 | 0 | 0 | 0 | 113.5 | V122 S223 | V122-T264 HydrophobicContact CG2-CG2 4.21Å; S223-T264 PolarHBondContact OG-N 3.11Å |
| 265 | A | 97.9 | Very high | 97.8 | Very high | 25 Ų | 25 | 41.8 Ų | 41.8 | 21% | 0.207 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -153 | 152.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | V263 Q267 | V263-A265 WeakPolarHBondContact CB-O 3.36Å; V263-A265 WeakPolarHBondContact CG2-O 3.42Å; A265-Q267 PolarHBondContact O-NE2 3.3Å |
| 266 | Y | 98.4 | Very high | 97.7 | Very high | 31 Ų | 31 | 41.8 Ų | 41.8 | 12% | 0.122 | 20% | 0.197 | C | C | . | . | trans | -65.7 | 139.9 | -177 | -65.4 | -59.3 | 0 | 0 | 0 | 112.1 | E119 I121 V263 I271 T272 K275 S354 L357 | E119-Y266 HydrophobicContact CB-CD1 3.98Å; E119-Y266 HydrophobicContact CB-CE1 4.28Å; E119-Y266 VanDerWaalsContact OE2-CA 3.22Å; E119-Y266 WeakPolarHBondContact OE2-CA 3.47Å; I121-Y266 HydrophobicContact CD1-CD1 3.7Å; I121-Y266 HydrophobicContact CD1-CD2 4.05Å; I121-Y266 HydrophobicContact CD1-CE1 3.68Å; I121-Y266 HydrophobicContact CD1-CE2 4.04Å; I121-Y266 HydrophobicContact CD1-CG 3.88Å; I121-Y266 HydrophobicContact CG1-CD1 4.27Å; I121-Y266 HydrophobicContact CG1-CD2 4.47Å; I121-Y266 HydrophobicContact CG1-CE1 3.71Å; I121-Y266 HydrophobicContact CG1-CE2 3.95Å; V263-Y266 HydrophobicContact CG2-CD1 4.47Å; Y266-I271 HydrophobicContact CD1-CG2 4.16Å; Y266-I271 HydrophobicContact CE1-CG2 4.26Å; Y266-T272 VanDerWaalsContact CB-OG1 3.22Å; Y266-T272 WeakPolarHBondContact CB-OG1 3.33Å; Y266-T272 HydrophobicContact CD2-CG2 4.15Å; Y266-K275 HydrophobicContact CE1-CD 4.4Å; Y266-K275 HydrophobicContact CE1-CG 4.16Å; Y266-K275 HydrophobicContact CE2-CG 4.26Å; Y266-K275 WeakPolarHBondContact OH-CD 3.35Å; Y266-K275 WeakPolarHBondContact OH-CE 3.35Å; Y266-K275 WeakPolarHBondContact OH-CG 3.32Å; Y266-S354 PolarHBondContact O-OG 2.97Å; Y266-L357 HydrophobicContact CD2-CD1 4.3Å; Y266-L357 HydrophobicContact CE2-CD1 4.28Å | ||
| 267 | Q | 98.1 | Very high | 97.6 | Very high | 41 Ų | 41 | 38.5 Ų | 38.5 | 19% | 0.192 | 19% | 0.191 | C | C | . | . | trans | -102 | -53.3 | -178.7 | -51.3 | -64.1 | -74.2 | 0 | 0 | 111.1 | E119 Y162 F164 W169 M224 V263 A265 H269 | E119-Q267 PolarHBondContact OE2-N 2.88Å; Y162-Q267 HydrophobicContact CD1-CB 3.87Å; Y162-Q267 HydrophobicContact CD2-CB 4.19Å; Y162-Q267 HydrophobicContact CG-CB 3.65Å; F164-Q267 WeakPolarHBondContact CE1-O 3.18Å; W169-Q267 HydrophobicContact CH2-CB 4.33Å; W169-Q267 HydrophobicContact CH2-CG 3.82Å; W169-Q267 HydrophobicContact CZ2-CB 4.24Å; W169-Q267 HydrophobicContact CZ2-CG 4.19Å; M224-Q267 HydrophobicContact CE-CG 4.33Å; V263-Q267 HydrophobicContact CG1-CG 4.2Å; A265-Q267 PolarHBondContact O-NE2 3.3Å; Q267-H269 PolarHBondContact O-N 3.19Å | ||
| 268 | N | 97.1 | Very high | 97.4 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | trans | -80.9 | 112.3 | 175.4 | -176.9 | -2.6 | 0 | 0 | 0 | 110.6 | L116 E119 Y162 R270 I271 T272 | L116-N268 PolarHBondContact O-ND2 2.97Å; E119-N268 VanDerWaalsContact OE1-CB 3.32Å; E119-N268 WeakPolarHBondContact OE1-CB 3.44Å; E119-N268 PolarHBondContact OE1-N 2.94Å; Y162-N268 HydrophobicContact CE2-CB 4.03Å; N268-R270 PolarHBondContact O-N 3.08Å; N268-R270 VanDerWaalsContact O-N 3.16Å; N268-R270 WeakPolarHBondContact OD1-CB 3.44Å; N268-R270 PolarHBondContact OD1-N 3.26Å; N268-I271 HydrophobicContact CB-CB 4.35Å; N268-I271 HydrophobicContact CB-CG1 3.87Å; N268-I271 WeakPolarHBondContact O-CB 3.35Å; N268-I271 PolarHBondContact O-N 3.32Å; N268-T272 PolarHBondContact O-N 3.42Å | ||
| 269 | H | 96.1 | Very high | 97.2 | Very high | 108 Ų | 108 | 41 Ų | 41 | 50% | 0.5 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.4 | -28 | 179.2 | 67.6 | -97.3 | 0 | 0 | 0 | 113.2 | Q267 I271 T272 Q273 | Q267-H269 PolarHBondContact O-N 3.19Å; H269-I271 VanDerWaalsContact C-N 3.33Å; H269-T272 WeakPolarHBondContact O-CB 3.37Å; H269-T272 PolarHBondContact O-N 2.83Å; H269-T272 VanDerWaalsContact O-N 3.16Å; H269-Q273 WeakPolarHBondContact O-CG 3.47Å; H269-Q273 PolarHBondContact O-N 3.43Å |
| 270 | R | 97.1 | Very high | 96.9 | Very high | 139 Ų | 139 | 41.2 Ų | 41.2 | 53% | 0.525 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.7 | -34 | 176.3 | -58.4 | -178.7 | 64.8 | -166.3 | -1.2 | 111.7 | L116 N268 L274 | L116-R270 HydrophobicContact CD1-CB 4.13Å; L116-R270 HydrophobicContact CD2-CB 4.23Å; L116-R270 VanDerWaalsContact CD2-CZ 3.49Å; N268-R270 PolarHBondContact O-N 3.08Å; N268-R270 VanDerWaalsContact O-N 3.16Å; N268-R270 WeakPolarHBondContact OD1-CB 3.44Å; N268-R270 PolarHBondContact OD1-N 3.26Å; R270-L274 PolarHBondContact O-N 2.93Å |
| 271 | I | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 169.4 | -63.8 | -73.6 | 0 | 0 | 0 | 108.9 | F113 L116 E119 Y266 N268 H269 Q273 L274 K275 | F113-I271 HydrophobicContact CD1-CD1 3.89Å; F113-I271 HydrophobicContact CD1-CG2 4.34Å; F113-I271 HydrophobicContact CE1-CG2 4.2Å; L116-I271 HydrophobicContact CB-CD1 3.44Å; L116-I271 VanDerWaalsContact CB-CD1 3.44Å; L116-I271 HydrophobicContact CB-CG1 4.17Å; L116-I271 HydrophobicContact CD1-CD1 4.41Å; E119-I271 HydrophobicContact CB-CG2 4.09Å; E119-I271 HydrophobicContact CG-CG1 4.33Å; E119-I271 HydrophobicContact CG-CG2 4.42Å; Y266-I271 HydrophobicContact CD1-CG2 4.16Å; Y266-I271 HydrophobicContact CE1-CG2 4.26Å; N268-I271 HydrophobicContact CB-CB 4.35Å; N268-I271 HydrophobicContact CB-CG1 3.87Å; N268-I271 WeakPolarHBondContact O-CB 3.35Å; N268-I271 PolarHBondContact O-N 3.32Å; H269-I271 VanDerWaalsContact C-N 3.33Å; I271-Q273 VanDerWaalsContact C-N 3.33Å; I271-Q273 PolarHBondContact O-N 2.78Å; I271-L274 PolarHBondContact O-N 3.49Å; I271-L274 VanDerWaalsContact O-N 3.14Å; I271-K275 HydrophobicContact CG2-CD 4.46Å; I271-K275 HydrophobicContact CG2-CG 4.04Å; I271-K275 VanDerWaalsContact O-CG 3.24Å; I271-K275 WeakPolarHBondContact O-CG 3.4Å; I271-K275 PolarHBondContact O-N 3.41Å |
| 272 | T | 96.8 | Very high | 96.2 | Very high | 23 Ų | 23 | 50.6 Ų | 50.6 | 14% | 0.141 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.2 | -45.7 | 178.8 | -50 | 0 | 0 | 0 | 0 | 112.3 | Y266 N268 H269 K275 I276 L357 | Y266-T272 VanDerWaalsContact CB-OG1 3.22Å; Y266-T272 WeakPolarHBondContact CB-OG1 3.33Å; Y266-T272 HydrophobicContact CD2-CG2 4.15Å; N268-T272 PolarHBondContact O-N 3.42Å; H269-T272 WeakPolarHBondContact O-CB 3.37Å; H269-T272 PolarHBondContact O-N 2.83Å; H269-T272 VanDerWaalsContact O-N 3.16Å; T272-K275 PolarHBondContact O-N 3Å; T272-I276 HydrophobicContact CG2-CD1 4Å; T272-I276 WeakPolarHBondContact O-CG1 3.13Å; T272-I276 PolarHBondContact O-N 3.1Å; T272-L357 HydrophobicContact CG2-CD1 3.79Å |
| 273 | Q | 96.6 | Very high | 95.7 | Very high | 119 Ų | 119 | 56.8 Ų | 56.8 | 56% | 0.556 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -58.9 | -48.6 | 175.4 | -72.8 | 167.2 | -24.2 | 0 | 0 | 111.7 | H269 I271 K275 I276 A277 | H269-Q273 WeakPolarHBondContact O-CG 3.47Å; H269-Q273 PolarHBondContact O-N 3.43Å; I271-Q273 VanDerWaalsContact C-N 3.33Å; I271-Q273 PolarHBondContact O-N 2.78Å; Q273-K275 VanDerWaalsContact C-N 3.35Å; Q273-K275 PolarHBondContact O-N 2.83Å; Q273-I276 PolarHBondContact O-N 3.35Å; Q273-I276 VanDerWaalsContact O-N 3.13Å; Q273-A277 WeakPolarHBondContact O-CB 3.37Å; Q273-A277 PolarHBondContact O-N 3.16Å |
| 274 | L | 97.3 | Very high | 95.2 | Very high | 27 Ų | 27 | 60 Ų | 60 | 14% | 0.141 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66 | -34.7 | 178.2 | -171.9 | 61.2 | 0 | 0 | 0 | 112.4 | L109 E112 F113 L116 R270 I271 S278 | L109-L274 HydrophobicContact CD1-CD1 4.48Å; E112-L274 HydrophobicContact CB-CD2 3.93Å; F113-L274 HydrophobicContact CD1-CD2 3.73Å; F113-L274 HydrophobicContact CD1-CG 4.29Å; F113-L274 HydrophobicContact CD2-CD2 4.13Å; F113-L274 HydrophobicContact CE1-CB 3.81Å; F113-L274 HydrophobicContact CE1-CD2 3.68Å; F113-L274 HydrophobicContact CE1-CG 3.7Å; F113-L274 HydrophobicContact CE2-CD2 4.1Å; F113-L274 HydrophobicContact CE2-CG 4.06Å; F113-L274 HydrophobicContact CG-CD2 3.94Å; F113-L274 HydrophobicContact CZ-CB 4.02Å; F113-L274 HydrophobicContact CZ-CD2 3.86Å; F113-L274 HydrophobicContact CZ-CG 3.56Å; L116-L274 HydrophobicContact CD1-CD2 3.99Å; R270-L274 PolarHBondContact O-N 2.93Å; I271-L274 PolarHBondContact O-N 3.49Å; I271-L274 VanDerWaalsContact O-N 3.14Å; L274-S278 VanDerWaalsContact O-CB 3.28Å; L274-S278 WeakPolarHBondContact O-CB 3.47Å; L274-S278 PolarHBondContact O-N 2.87Å; L274-S278 PolarHBondContact O-OG 2.83Å |
| 275 | K | 97.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 61.1 Ų | 61.1 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 170.9 | -60.2 | -73.6 | -172.2 | -150.2 | 0 | 110.8 | F113 E119 F130 Y266 I271 T272 Q273 N279 | F113-K275 HydrophobicContact CE1-CD 3.57Å; F113-K275 HydrophobicContact CE1-CG 3.89Å; F113-K275 HydrophobicContact CZ-CD 3.62Å; F113-K275 HydrophobicContact CZ-CG 4.12Å; E119-K275 WeakPolarHBondContact O-CE 3.36Å; E119-K275 PolarHBondContact O-NZ 3.37Å; F130-K275 HydrophobicContact CD1-CD 3.83Å; F130-K275 PolarHBondContact O-NZ 3.26Å; Y266-K275 HydrophobicContact CE1-CD 4.4Å; Y266-K275 HydrophobicContact CE1-CG 4.16Å; Y266-K275 HydrophobicContact CE2-CG 4.26Å; Y266-K275 WeakPolarHBondContact OH-CD 3.35Å; Y266-K275 WeakPolarHBondContact OH-CE 3.35Å; Y266-K275 WeakPolarHBondContact OH-CG 3.32Å; I271-K275 HydrophobicContact CG2-CD 4.46Å; I271-K275 HydrophobicContact CG2-CG 4.04Å; I271-K275 VanDerWaalsContact O-CG 3.24Å; I271-K275 WeakPolarHBondContact O-CG 3.4Å; I271-K275 PolarHBondContact O-N 3.41Å; T272-K275 PolarHBondContact O-N 3Å; Q273-K275 VanDerWaalsContact C-N 3.35Å; Q273-K275 PolarHBondContact O-N 2.83Å; K275-N279 WeakPolarHBondContact O-CB 3.41Å; K275-N279 PolarHBondContact O-N 3.34Å |
| 276 | I | 95.6 | Very high | 94.3 | Very high | 31 Ų | 31 | 64.8 Ų | 64.8 | 16% | 0.159 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.4 | -47.4 | 179.8 | -72.8 | 166.8 | 0 | 0 | 0 | 111.3 | T272 Q273 A282 F285 R286 | T272-I276 HydrophobicContact CG2-CD1 4Å; T272-I276 WeakPolarHBondContact O-CG1 3.13Å; T272-I276 PolarHBondContact O-N 3.1Å; Q273-I276 PolarHBondContact O-N 3.35Å; Q273-I276 VanDerWaalsContact O-N 3.13Å; I276-A282 HydrophobicContact CG1-CB 4.4Å; I276-F285 HydrophobicContact CD1-CB 4.04Å; I276-F285 HydrophobicContact CG1-CB 4.15Å; I276-F285 HydrophobicContact CG2-CB 3.96Å; I276-R286 HydrophobicContact CG2-CB 4.41Å; I276-R286 HydrophobicContact CG2-CG 3.67Å; I276-R286 PolarHBondContact O-NE 2.96Å; I276-R286 PolarHBondContact O-NH2 2.82Å |
| 277 | A | 95.4 | Very high | 93.2 | Very high | 57 Ų | 57 | 69.5 Ų | 69.5 | 47% | 0.471 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q273 R286 | Q273-A277 WeakPolarHBondContact O-CB 3.37Å; Q273-A277 PolarHBondContact O-N 3.16Å; A277-R286 PolarHBondContact O-NE 3.11Å; A277-R286 PolarHBondContact O-NH1 3.43Å; A277-R286 PolarHBondContact O-NH2 3.44Å |
| 278 | S | 94.8 | Very high | 91.3 | Very high | 42 Ų | 42 | 71.6 Ų | 71.6 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -95.2 | -27.8 | -173 | -55.4 | 0 | 0 | 0 | 0 | 114.2 | L274 P280 | L274-S278 VanDerWaalsContact O-CB 3.28Å; L274-S278 WeakPolarHBondContact O-CB 3.47Å; L274-S278 PolarHBondContact O-N 2.87Å; L274-S278 PolarHBondContact O-OG 2.83Å; S278-P280 WeakPolarHBondContact O-CD 3.43Å |
| 279 | N | 93.9 | Very high | 89.2 | Confident | 31 Ų | 31 | 76.4 Ų | 76.4 | 17% | 0.166 | 40% | 0.404 | C | S | . | . | trans | -84.6 | 122.6 | -178 | -170.9 | -18.1 | 0 | 0 | 0 | 111.8 | F130 K275 F281 A282 R286 | F130-N279 HydrophobicContact CD1-CB 4.14Å; F130-N279 HydrophobicContact CD2-CB 3.96Å; F130-N279 HydrophobicContact CE1-CB 3.88Å; F130-N279 HydrophobicContact CE2-CB 3.7Å; F130-N279 HydrophobicContact CG-CB 4.18Å; F130-N279 VanDerWaalsContact CZ-CA 3.48Å; F130-N279 HydrophobicContact CZ-CB 3.67Å; K275-N279 WeakPolarHBondContact O-CB 3.41Å; K275-N279 PolarHBondContact O-N 3.34Å; N279-F281 VanDerWaalsContact C-N 3.27Å; N279-F281 PolarHBondContact O-N 3.13Å; N279-F281 WeakPolarHBondContact OD1-CB 3.39Å; N279-F281 WeakPolarHBondContact OD1-CD2 3.24Å; N279-F281 PolarHBondContact OD1-N 3.1Å; N279-A282 HydrophobicContact CB-CB 4.07Å; N279-A282 PolarHBondContact O-N 3.18Å; N279-A282 VanDerWaalsContact O-N 3.08Å; N279-R286 PolarHBondContact O-NH2 3.44Å | ||
| 280 | P | 92.6 | Very high | 87.3 | Confident | 94 Ų | 94 | 76.1 Ų | 76.1 | 61% | 0.61 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -58.6 | -35.9 | 175.7 | -25.2 | 35.4 | 0 | 0 | 0 | 113.6 | S278 A282 K283 | S278-P280 WeakPolarHBondContact O-CD 3.43Å; P280-A282 PolarHBondContact O-N 3.29Å; P280-K283 WeakPolarHBondContact O-CB 3.45Å; P280-K283 PolarHBondContact O-N 2.87Å |
| 281 | F | 90.5 | Very high | 85.1 | Confident | 194 Ų | 194 | 77.2 Ų | 77.2 | 85% | 0.851 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -72.2 | -8.3 | 179 | -60.7 | -75.3 | 0 | 0 | 0 | 113.7 | N279 | N279-F281 VanDerWaalsContact C-N 3.27Å; N279-F281 PolarHBondContact O-N 3.13Å; N279-F281 WeakPolarHBondContact OD1-CB 3.39Å; N279-F281 WeakPolarHBondContact OD1-CD2 3.24Å; N279-F281 PolarHBondContact OD1-N 3.1Å |
| 282 | A | 91 | Very high | 82.6 | Confident | 13 Ų | 13 | 83.6 Ų | 83.6 | 11% | 0.107 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -105 | 7.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | I276 N279 P280 G284 F285 | I276-A282 HydrophobicContact CG1-CB 4.4Å; N279-A282 HydrophobicContact CB-CB 4.07Å; N279-A282 PolarHBondContact O-N 3.18Å; N279-A282 VanDerWaalsContact O-N 3.08Å; P280-A282 PolarHBondContact O-N 3.29Å; A282-G284 PolarHBondContact O-N 2.87Å; A282-G284 VanDerWaalsContact O-N 3.15Å; A282-F285 PolarHBondContact O-N 2.83Å |
| 283 | K | 88.8 | Confident | 80.2 | Confident | 130 Ų | 130 | 92 Ų | 92 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -53.1 | -39.2 | -175.2 | -172 | -175.7 | 175.9 | -172.9 | 0 | 113.4 | P280 F285 R286 | P280-K283 WeakPolarHBondContact O-CB 3.45Å; P280-K283 PolarHBondContact O-N 2.87Å; K283-F285 PolarHBondContact O-N 2.86Å; K283-R286 WeakPolarHBondContact O-CB 2.81Å; K283-R286 WeakPolarHBondContact O-CG 3.19Å; K283-R286 PolarHBondContact O-N 3.33Å |
| 284 | G | 88.9 | Confident | 77.7 | Confident | 67 Ų | 67 | 90 Ų | 90 | 69% | 0.691 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -65 | -1.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | A282 | A282-G284 PolarHBondContact O-N 2.87Å; A282-G284 VanDerWaalsContact O-N 3.15Å |
| 285 | F | 87.9 | Confident | 75.2 | Confident | 93 Ų | 93 | 99.4 Ų | 99.4 | 41% | 0.408 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -110 | 3.7 | 173.8 | -59.4 | -76.8 | 0 | 0 | 0 | 113.3 | I276 A282 K283 V356 L357 | I276-F285 HydrophobicContact CD1-CB 4.04Å; I276-F285 HydrophobicContact CG1-CB 4.15Å; I276-F285 HydrophobicContact CG2-CB 3.96Å; A282-F285 PolarHBondContact O-N 2.83Å; K283-F285 PolarHBondContact O-N 2.86Å; F285-V356 HydrophobicContact CE1-CG1 4.23Å; F285-L357 HydrophobicContact CD2-CD2 3.94Å; F285-L357 HydrophobicContact CE1-CD2 4.43Å; F285-L357 HydrophobicContact CE2-CD2 3.61Å; F285-L357 HydrophobicContact CG-CD2 4.48Å; F285-L357 HydrophobicContact CZ-CD2 3.88Å |
| 286 | R | 88.9 | Confident | 72.6 | Confident | 101 Ų | 101 | 105.9 Ų | 105.9 | 38% | 0.381 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -77.6 | -35.8 | -178.8 | -66.8 | 177.8 | -169.3 | -169.1 | 4.1 | 112.8 | I276 A277 N279 K283 | I276-R286 HydrophobicContact CG2-CB 4.41Å; I276-R286 HydrophobicContact CG2-CG 3.67Å; I276-R286 PolarHBondContact O-NE 2.96Å; I276-R286 PolarHBondContact O-NH2 2.82Å; A277-R286 PolarHBondContact O-NE 3.11Å; A277-R286 PolarHBondContact O-NH1 3.43Å; A277-R286 PolarHBondContact O-NH2 3.44Å; N279-R286 PolarHBondContact O-NH2 3.44Å; K283-R286 WeakPolarHBondContact O-CB 2.81Å; K283-R286 WeakPolarHBondContact O-CG 3.19Å; K283-R286 PolarHBondContact O-N 3.33Å |
| 287 | D | 73.9 | Confident | 70.1 | Confident | 130 Ų | 130 | 111.7 Ų | 111.7 | 70% | 0.695 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -102.1 | 17.9 | -169.5 | -42.3 | -49.1 | 0 | 0 | 0 | 111.3 | D289 | D287-D289 PolarHBondContact O-N 2.98Š|
| 288 | C | 57.8 | Low | 67.4 | Low | 86 Ų | 86 | 119.7 Ų | 119.7 | 58% | 0.581 | 60% | 0.596 | S | S | * | * | trans | -89.1 | 82.7 | 175.9 | -63.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 289 | D | 53.1 | Low | 64.7 | Low | 114 Ų | 114 | 124.3 Ų | 124.3 | 61% | 0.61 | 63% | 0.625 | S | S | * | * | trans | -65 | 136.4 | 173.4 | -139.6 | -27.2 | 0 | 0 | 0 | 110.2 | D287 E291 D292 | D287-D289 PolarHBondContact O-N 2.98Å; D289-E291 PolarHBondContact O-N 3.21Å; D289-D292 PolarHBondContact O-N 3.33Å; D289-D292 VanDerWaalsContact O-N 3.08Å | ||
| 290 | P | 57.1 | Low | 62.3 | Low | 102 Ų | 102 | 126.4 Ų | 126.4 | 66% | 0.662 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -61.2 | -25 | -176.6 | -27.6 | 37.6 | 0 | 0 | 0 | 115.1 | D292 | P290-D292 VanDerWaalsContact C-N 3.33Š|
| 291 | E | 50.8 | Low | 59.6 | Low | 161 Ų | 161 | 127.1 Ų | 127.1 | 75% | 0.752 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -71.7 | -23.5 | 176.2 | -76.3 | -66.1 | 126.1 | 0 | 0 | 113.4 | D289 W293 | D289-E291 PolarHBondContact O-N 3.21Å; E291-W293 PolarHBondContact O-N 3.41Å; E291-W293 VanDerWaalsContact O-N 3.16Å |
| 292 | D | 45.7 | Very low | 57.1 | Low | 135 Ų | 135 | 125.8 Ų | 125.8 | 72% | 0.722 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -78.5 | 6.8 | -177.3 | -111.3 | -26.3 | 0 | 0 | 0 | 113.4 | D289 P290 P294 | D289-D292 PolarHBondContact O-N 3.33Å; D289-D292 VanDerWaalsContact O-N 3.08Å; P290-D292 VanDerWaalsContact C-N 3.33Å; D292-P294 VanDerWaalsContact O-CD 3.22Å; D292-P294 WeakPolarHBondContact O-CD 3.3Å |
| 293 | W | 45.7 | Very low | 54.6 | Low | 199 Ų | 199 | 130.9 Ų | 130.9 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -71.2 | 115 | 171.8 | -173 | -88.7 | 0 | 0 | 0 | 110.9 | E291 R295 | E291-W293 PolarHBondContact O-N 3.41Å; E291-W293 VanDerWaalsContact O-N 3.16Å; W293-R295 PolarHBondContact O-N 3.37Å; W293-R295 VanDerWaalsContact O-N 3.13Å |
| 294 | P | 43.6 | Very low | 52.3 | Low | 76 Ų | 76 | 132.5 Ų | 132.5 | 49% | 0.494 | 71% | 0.707 | S | S | . | * | trans | -64.4 | 121.3 | -173.1 | -23.2 | 35.3 | 0 | 0 | 0 | 112 | D292 N296 | D292-P294 VanDerWaalsContact O-CD 3.22Å; D292-P294 WeakPolarHBondContact O-CD 3.3Å; P294-N296 PolarHBondContact O-N 3.3Å | ||
| 295 | R | 46.5 | Very low | 49.8 | Very low | 225 Ų | 225 | 138 Ų | 138 | 85% | 0.849 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 12.1 | 176.9 | -154.7 | 171.1 | -69.1 | -175.8 | 0.1 | 114.2 | W293 | W293-R295 PolarHBondContact O-N 3.37Å; W293-R295 VanDerWaalsContact O-N 3.13Å |
| 296 | N | 43 | Very low | 47.2 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 3.5 | -166.5 | -75.6 | 1.6 | 0 | 0 | 0 | 115.1 | P294 R298 | P294-N296 PolarHBondContact O-N 3.3Å; N296-R298 PolarHBondContact O-N 3.13Å |
| 297 | H | 42.5 | Very low | 44.7 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -82.2 | 61.8 | 171.8 | -76.9 | -56.7 | 0 | 0 | 0 | 113.3 | ||||
| 298 | R | 37.3 | Very low | 42.8 | Very low | 224 Ų | 224 | 141.7 Ų | 141.7 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -71.4 | 124.9 | 149.1 | -88.2 | -170.9 | 176.8 | -119 | 3.4 | 108.1 | N296 G300 | N296-R298 PolarHBondContact O-N 3.13Å; R298-G300 PolarHBondContact O-N 3.26Å | ||
| 299 | P | 39.4 | Very low | 41.6 | Very low | 139 Ų | 139 | 142.4 Ų | 142.4 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 94.1 | 170.8 | 29.9 | -32.5 | 0 | 0 | 0 | 109.2 | ||
| 300 | G | 42.4 | Very low | 40.7 | Very low | 76 Ų | 76 | 147.9 Ų | 147.9 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.2 | 3.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | R298 | R298-G300 PolarHBondContact O-N 3.26Š|
| 301 | S | 36.7 | Very low | 39.6 | Very low | 108 Ų | 108 | 149.1 Ų | 149.1 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -145.4 | 127.1 | 174.3 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 302 | L | 38.1 | Very low | 38.8 | Very low | 167 Ų | 167 | 153 Ų | 153 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 125.4 | 171.3 | -66.6 | 172.6 | 0 | 0 | 0 | 108.6 | I304 | L302-I304 PolarHBondContact O-N 3.48Š|
| 303 | P | 38.2 | Very low | 38.3 | Very low | 120 Ų | 120 | 154 Ų | 154 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 117.5 | 169.5 | 28.2 | -29.2 | 0 | 0 | 0 | 109.6 | M305 | P303-M305 PolarHBondContact O-N 2.72Š|
| 304 | I | 40.6 | Very low | 38.2 | Very low | 163 Ų | 163 | 150.5 Ų | 150.5 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 116.2 | 172.6 | -65 | 175 | 0 | 0 | 0 | 108.4 | L302 S306 | L302-I304 PolarHBondContact O-N 3.48Å; I304-S306 PolarHBondContact O-N 2.81Å; I304-S306 VanDerWaalsContact O-N 3.08Å |
| 305 | M | 35.6 | Very low | 37.6 | Very low | 182 Ų | 182 | 155.2 Ų | 155.2 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | -72.8 | 97.8 | 173.3 | -76.5 | -173.5 | 151.3 | 0 | 0 | 110.8 | P303 A307 | P303-M305 PolarHBondContact O-N 2.72Å; M305-A307 PolarHBondContact O-N 3.48Å | ||
| 306 | S | 33.3 | Very low | 36.9 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | -79.2 | 112.9 | 164.1 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | I304 | I304-S306 PolarHBondContact O-N 2.81Å; I304-S306 VanDerWaalsContact O-N 3.08Å | ||
| 307 | A | 38.1 | Very low | 36.4 | Very low | 83 Ų | 83 | 148.5 Ų | 148.5 | 69% | 0.686 | 82% | 0.822 | S | S | * | * | trans | -116.5 | 74.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M305 | M305-A307 PolarHBondContact O-N 3.48Š| ||
| 308 | F | 33.8 | Very low | 37 | Very low | 203 Ų | 203 | 146.7 Ų | 146.7 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | trans | -147.7 | 167.2 | 173.8 | -83 | -68.3 | 0 | 0 | 0 | 113.6 | ||||
| 309 | A | 32.4 | Very low | 37.4 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | 74.4 | 87.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 310 | R | 34.1 | Very low | 37 | Very low | 230 Ų | 230 | 143.7 Ų | 143.7 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | trans | -43.8 | 154.3 | 162 | -57.7 | 167.1 | 177.4 | 173 | -2.5 | 116.7 | ||||
| 311 | T | 33.8 | Very low | 36.5 | Very low | 128 Ų | 128 | 148.7 Ų | 148.7 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | 60.1 | 113.7 | 142.3 | 51.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 312 | R | 33.2 | Very low | 36.1 | Very low | 241 Ų | 241 | 151.1 Ų | 151.1 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | -179.7 | 144 | 112.3 | -102.8 | 172.3 | 170.7 | 166.4 | -3.7 | 113.3 | |||||
| 313 | N | 36.5 | Very low | 35.7 | Very low | 156 Ų | 156 | 146 Ų | 146 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -94.5 | 155.3 | 149.6 | -81.3 | 15.5 | 0 | 0 | 0 | 108.3 | ||||
| 314 | P | 43.8 | Very low | 35.4 | Very low | 127 Ų | 127 | 146.8 Ų | 146.8 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | -143.1 | 177.2 | 97.2 | 37.6 | -22 | 0 | 0 | 0 | 114.9 | |||||
| 315 | M | 31 | Very low | 34.9 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | trans | -75.3 | 155.7 | 177 | -66.3 | 142.2 | 137.5 | 0 | 0 | 113.4 | ||||
| 316 | S | 31.5 | Very low | 34.9 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | 165.1 | 117.4 | 113.1 | -71.3 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 317 | S | 32 | Very low | 34.8 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 55.2 | 158.3 | 135.1 | -58.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 318 | P | 55.9 | Low | 34.6 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | -103.3 | -174.5 | -166.8 | 42.6 | -36.7 | 0 | 0 | 0 | 114.5 | ||||
| 319 | P | 45.2 | Very low | 34.5 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | -147.5 | 177.6 | 100.8 | 41.1 | -25.4 | 0 | 0 | 0 | 118 | |||||
| 320 | Q | 30 | Very low | 34.5 | Very low | 176 Ų | 176 | 149.8 Ų | 149.8 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -48.3 | 156.4 | 179.8 | -56.5 | 158.4 | -48.3 | 0 | 0 | 119 | ||||
| 321 | Q | 33.8 | Very low | 34.4 | Very low | 181 Ų | 181 | 142.2 Ų | 142.2 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | -168.9 | 130.1 | 108.4 | -95.1 | 167.4 | 23 | 0 | 0 | 108.6 | |||||
| 322 | N | 26.8 | Very low | 34.2 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | 44.7 | 125.2 | 82.8 | -81.7 | 8.7 | 0 | 0 | 0 | 114.2 | |||||
| 323 | G | 29.3 | Very low | 34.2 | Very low | 58 Ų | 58 | 147 Ų | 147 | 60% | 0.598 | 80% | 0.801 | S | S | * | * | cis | 159.1 | 172.9 | -3.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 324 | T | 32.4 | Very low | 33.8 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | 62.6 | 151.9 | 169.4 | 59.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 325 | E | 31.4 | Very low | 33.3 | Very low | 164 Ų | 164 | 152.3 Ų | 152.3 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | cis | -164.6 | -178.1 | -5 | -124 | 179.4 | -168.9 | 0 | 0 | 110.7 | ||||
| 326 | K | 34.1 | Very low | 33.3 | Very low | 192 Ų | 192 | 153 Ų | 153 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 86.6 | 125.2 | 162.5 | -57.4 | -166.1 | 175.7 | 179.4 | 0 | 119.8 | ||||
| 327 | A | 32.5 | Very low | 33.1 | Very low | 95 Ų | 95 | 151.9 Ų | 151.9 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -96.9 | 167.7 | 151 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 328 | V | 34.1 | Very low | 33.1 | Very low | 133 Ų | 133 | 153.6 Ų | 153.6 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | -169.7 | 155.3 | 141 | 137.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 329 | E | 31.5 | Very low | 32.8 | Very low | 161 Ų | 161 | 152.8 Ų | 152.8 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -68.3 | 161.5 | -178.4 | -50.8 | 96.9 | 117.9 | 0 | 0 | 114.1 | ||||
| 330 | D | 30.9 | Very low | 32 | Very low | 167 Ų | 167 | 152.6 Ų | 152.6 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | -151.8 | 172.4 | 106.5 | -147.6 | -19.2 | 0 | 0 | 0 | 110.5 | |||||
| 331 | A | 32.2 | Very low | 31.8 | Very low | 71 Ų | 71 | 147.2 Ų | 147.2 | 59% | 0.587 | 80% | 0.796 | S | S | * | * | trans | -125.6 | 174.2 | -157.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 332 | R | 30.9 | Very low | 31.8 | Very low | 217 Ų | 217 | 145.5 Ų | 145.5 | 82% | 0.819 | 80% | 0.798 | S | S | * | * | trans | 54.5 | 118 | 154.9 | -75.7 | -179.3 | 159.1 | 105 | -0.8 | 119 | ||||
| 333 | R | 33.1 | Very low | 32.3 | Very low | 252 Ų | 252 | 143.3 Ų | 143.3 | 95% | 0.951 | 79% | 0.792 | S | S | * | * | -146.8 | 124.4 | 123.7 | -112.8 | 171 | -169.6 | 155.2 | 6.3 | 111 | |||||
| 334 | E | 28.2 | Very low | 32.6 | Very low | 160 Ų | 160 | 148.8 Ų | 148.8 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -91.3 | 145.2 | 168.4 | -67 | 152.4 | 121.9 | 0 | 0 | 109 | ||||
| 335 | Y | 32.9 | Very low | 32.6 | Very low | 235 Ų | 235 | 150.3 Ų | 150.3 | 92% | 0.922 | 80% | 0.803 | S | S | * | * | trans | -159.3 | 145.2 | 141.2 | -134.4 | -89.9 | 0 | 0 | 0 | 110.4 | ||||
| 336 | E | 31 | Very low | 32.7 | Very low | 189 Ų | 189 | 146.7 Ų | 146.7 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -82.4 | 159.8 | -177.6 | -63 | 176.2 | 98.4 | 0 | 0 | 112.7 | ||||
| 337 | G | 27.4 | Very low | 32.8 | Very low | 84 Ų | 84 | 142.3 Ų | 142.3 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | 175.8 | 67.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 338 | D | 31.3 | Very low | 32.9 | Very low | 154 Ų | 154 | 142 Ų | 142 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -108.6 | 159.3 | 162.3 | -160 | 45.8 | 0 | 0 | 0 | 107.6 | ||||
| 339 | P | 49.5 | Very low | 33.1 | Very low | 100 Ų | 100 | 138 Ų | 138 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | cis | -128.8 | 165 | 1.7 | 41 | -26.9 | 0 | 0 | 0 | 116 | ||||
| 340 | S | 28.4 | Very low | 33.6 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | 164.5 | 126.3 | 122.2 | 50.3 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 341 | G | 26.7 | Very low | 34.1 | Very low | 64 Ų | 64 | 136.8 Ų | 136.8 | 66% | 0.66 | 75% | 0.747 | S | S | * | * | 87.7 | 139.6 | 125.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 342 | T | 33.3 | Very low | 34.7 | Very low | 144 Ų | 144 | 139 Ų | 139 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | 77.9 | 166.5 | 160.1 | 85.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 343 | P | 37.3 | Very low | 35.2 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | -114.8 | 150.4 | -112.8 | 11.6 | 12.8 | 0 | 0 | 0 | 114 | H345 | P343-H345 PolarHBondContact O-N 2.99Å; P343-H345 VanDerWaalsContact O-N 3.11Å | |||
| 344 | I | 35.1 | Very low | 35.8 | Very low | 174 Ų | 174 | 123.8 Ų | 123.8 | 89% | 0.892 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 116.1 | 174.3 | -63.7 | -178.4 | 0 | 0 | 0 | 109.9 | A346 | I344-A346 PolarHBondContact O-N 3.11Š|
| 345 | H | 33.1 | Very low | 36.3 | Very low | 169 Ų | 169 | 125.6 Ų | 125.6 | 78% | 0.782 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 120.9 | 177.7 | -158.7 | -75.6 | 0 | 0 | 0 | 109.5 | P343 D347 | P343-H345 PolarHBondContact O-N 2.99Å; P343-H345 VanDerWaalsContact O-N 3.11Å; H345-D347 PolarHBondContact O-N 2.77Å |
| 346 | A | 34.3 | Very low | 36.8 | Very low | 88 Ų | 88 | 119.1 Ų | 119.1 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 124 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | I344 | I344-A346 PolarHBondContact O-N 3.11Š|
| 347 | D | 34.6 | Very low | 37.2 | Very low | 99 Ų | 99 | 112 Ų | 112 | 53% | 0.529 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -73.4 | 122.6 | -175.2 | -164.5 | -48.6 | 0 | 0 | 0 | 111.5 | H345 A349 | H345-D347 PolarHBondContact O-N 2.77Å; D347-A349 PolarHBondContact O-N 2.99Å; D347-A349 WeakPolarHBondContact OD1-CB 3.5Å; D347-A349 PolarHBondContact OD1-N 3.34Å |
| 348 | P | 35.8 | Very low | 37.5 | Very low | 90 Ų | 90 | 109.9 Ų | 109.9 | 58% | 0.584 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -16.9 | -179.3 | 28.4 | -35.5 | 0 | 0 | 0 | 114.4 | H350 Q351 | P348-H350 VanDerWaalsContact C-N 3.28Å; P348-H350 PolarHBondContact O-N 2.79Å; P348-Q351 PolarHBondContact O-N 2.94Å |
| 349 | A | 37.3 | Very low | 37.7 | Very low | 48 Ų | 48 | 107.5 Ų | 107.5 | 40% | 0.397 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -57.3 | -39.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | D347 Q351 L352 | D347-A349 PolarHBondContact O-N 2.99Å; D347-A349 WeakPolarHBondContact OD1-CB 3.5Å; D347-A349 PolarHBondContact OD1-N 3.34Å; A349-Q351 VanDerWaalsContact C-N 3.29Å; A349-Q351 PolarHBondContact O-N 2.99Å; A349-L352 PolarHBondContact O-N 3.31Å |
| 350 | H | 43.4 | Very low | 37 | Very low | 142 Ų | 142 | 107.3 Ų | 107.3 | 66% | 0.657 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.2 | -24.8 | -176.3 | -66.3 | -63.6 | 0 | 0 | 0 | 114.2 | P348 | P348-H350 VanDerWaalsContact C-N 3.28Å; P348-H350 PolarHBondContact O-N 2.79Å |
| 351 | Q | 41 | Very low | 37.5 | Very low | 161 Ų | 161 | 109.2 Ų | 109.2 | 75% | 0.752 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -75.2 | -25.5 | 177.2 | -65.8 | -165.9 | 20.5 | 0 | 0 | 113 | P348 A349 | P348-Q351 PolarHBondContact O-N 2.94Å; A349-Q351 VanDerWaalsContact C-N 3.29Å; A349-Q351 PolarHBondContact O-N 2.99Å |
| 352 | L | 43.8 | Very low | 37.9 | Very low | 116 Ų | 116 | 112 Ų | 112 | 61% | 0.607 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -75 | -39.1 | -178.6 | -93 | 158.3 | 0 | 0 | 0 | 112.4 | A349 S354 R355 | A349-L352 PolarHBondContact O-N 3.31Å; L352-S354 VanDerWaalsContact C-N 3.27Å; L352-S354 PolarHBondContact O-N 2.71Å; L352-R355 WeakPolarHBondContact O-CB 3.4Å; L352-R355 PolarHBondContact O-N 3.38Å |
| 353 | M | 42.1 | Very low | 37.9 | Very low | 117 Ų | 117 | 111.6 Ų | 111.6 | 58% | 0.576 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -58.6 | -35.6 | 179.8 | -66 | -175 | 179.6 | 0 | 0 | 113.1 | R355 V356 | M353-R355 PolarHBondContact O-N 2.87Å; M353-V356 PolarHBondContact O-N 3.01Å |
| 354 | S | 44.8 | Very low | 37.9 | Very low | 34 Ų | 34 | 112 Ų | 112 | 24% | 0.238 | 63% | 0.633 | C | S | . | * | H | α-helix | trans | -64.3 | -22.8 | 177.2 | -169.5 | 0 | 0 | 0 | 0 | 113.2 | Y266 L352 | Y266-S354 PolarHBondContact O-OG 2.97Å; L352-S354 VanDerWaalsContact C-N 3.27Å; L352-S354 PolarHBondContact O-N 2.71Å |
| 355 | R | 39.5 | Very low | 37.8 | Very low | 197 Ų | 197 | 107.4 Ų | 107.4 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -82.4 | -29.9 | 176.3 | -65.9 | -174.6 | 172.6 | -170.1 | -2 | 113.6 | L352 M353 L357 S358 | L352-R355 WeakPolarHBondContact O-CB 3.4Å; L352-R355 PolarHBondContact O-N 3.38Å; M353-R355 PolarHBondContact O-N 2.87Å; R355-L357 VanDerWaalsContact C-N 3.29Å; R355-L357 PolarHBondContact O-N 3.09Å; R355-S358 PolarHBondContact O-N 3.03Å |
| 356 | V | 42.3 | Very low | 37.7 | Very low | 100 Ų | 100 | 102.7 Ų | 102.7 | 61% | 0.606 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.4 | -24.7 | -173 | -179.8 | 0 | 0 | 0 | 0 | 112.9 | F285 M353 S358 | F285-V356 HydrophobicContact CE1-CG1 4.23Å; M353-V356 PolarHBondContact O-N 3.01Å; V356-S358 VanDerWaalsContact C-N 3.29Å; V356-S358 PolarHBondContact O-N 3.49Å |
| 357 | L | 39.5 | Very low | 37.6 | Very low | 40 Ų | 40 | 105.9 Ų | 105.9 | 21% | 0.209 | 63% | 0.629 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -82.5 | -0.5 | 178.3 | -65.2 | 176 | 0 | 0 | 0 | 114.5 | Y266 T272 F285 R355 | Y266-L357 HydrophobicContact CD2-CD1 4.3Å; Y266-L357 HydrophobicContact CE2-CD1 4.28Å; T272-L357 HydrophobicContact CG2-CD1 3.79Å; F285-L357 HydrophobicContact CD2-CD2 3.94Å; F285-L357 HydrophobicContact CE1-CD2 4.43Å; F285-L357 HydrophobicContact CE2-CD2 3.61Å; F285-L357 HydrophobicContact CG-CD2 4.48Å; F285-L357 HydrophobicContact CZ-CD2 3.88Å; R355-L357 VanDerWaalsContact C-N 3.29Å; R355-L357 PolarHBondContact O-N 3.09Å |
| 358 | S | 33.6 | Very low | 37.5 | Very low | 39 Ų | 39 | 109.8 Ų | 109.8 | 27% | 0.273 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -113.7 | 126.3 | -179.9 | -77.4 | 0 | 0 | 0 | 0 | 111.5 | R355 V356 A360 | R355-S358 PolarHBondContact O-N 3.03Å; V356-S358 VanDerWaalsContact C-N 3.29Å; V356-S358 PolarHBondContact O-N 3.49Å; S358-A360 PolarHBondContact O-N 3.43Å; S358-A360 VanDerWaalsContact O-N 3.08Å |
| 359 | P | 36.7 | Very low | 37.3 | Very low | 103 Ų | 103 | 110.3 Ų | 110.3 | 67% | 0.669 | 66% | 0.655 | S | S | * | * | trans | -73.6 | 104.2 | -179.5 | 29.5 | -33.6 | 0 | 0 | 0 | 111 | ||||
| 360 | A | 35.6 | Very low | 37.1 | Very low | 96 Ų | 96 | 114.7 Ų | 114.7 | 79% | 0.793 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 131.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S358 | S358-A360 PolarHBondContact O-N 3.43Å; S358-A360 VanDerWaalsContact O-N 3.08Å |
| 361 | L | 37.2 | Very low | 37 | Very low | 159 Ų | 159 | 112.9 Ų | 112.9 | 83% | 0.832 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 149.4 | 165.8 | -73.8 | 175.2 | 0 | 0 | 0 | 109.5 | ||
| 362 | P | 35.3 | Very low | 36.4 | Very low | 123 Ų | 123 | 112.9 Ų | 112.9 | 80% | 0.799 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 146.9 | -171 | 30.4 | -35.6 | 0 | 0 | 0 | 113.1 | ||
| 363 | V | 33.8 | Very low | 35.7 | Very low | 135 Ų | 135 | 114 Ų | 114 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | trans | -117.3 | 130.6 | 164.2 | 179.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 364 | P | 36.9 | Very low | 35.2 | Very low | 123 Ų | 123 | 114.2 Ų | 114.2 | 80% | 0.799 | 71% | 0.707 | S | S | * | * | trans | -68.9 | 140.7 | 177.6 | -18.7 | 32.3 | 0 | 0 | 0 | 112.7 | ||||
| 365 | G | 33.4 | Very low | 34.4 | Very low | 77 Ų | 77 | 116.6 Ų | 116.6 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | -92.3 | -179.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 366 | G | 31 | Very low | 33.9 | Very low | 70 Ų | 70 | 118.8 Ų | 118.8 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | cis | -137.6 | -137.4 | -2.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 367 | L | 32.8 | Very low | 33.9 | Very low | 154 Ų | 154 | 118.8 Ų | 118.8 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | cis | -153.6 | -179.8 | 6.3 | -85.6 | 176.8 | 0 | 0 | 0 | 110 | ||||
| 368 | H | 32 | Very low | 33.7 | Very low | 181 Ų | 181 | 122 Ų | 122 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | 86.9 | 130.7 | 167.9 | -60.4 | -81.7 | 0 | 0 | 0 | 118.9 | ||||
| 369 | A | 31.2 | Very low | 34.1 | Very low | 101 Ų | 101 | 126 Ų | 126 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -150.5 | 133.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 370 | V | 32.2 | Very low | 35 | Very low | 141 Ų | 141 | 126 Ų | 126 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -148.1 | 143.9 | 168.8 | -155.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 371 | P | 42.1 | Very low | 34.8 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -122.6 | 177.5 | -154.1 | 42.3 | -30.5 | 0 | 0 | 0 | 117 | ||||
| 372 | L | 29.6 | Very low | 34.5 | Very low | 162 Ų | 162 | 127.8 Ų | 127.8 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | 72.6 | 144 | 170.9 | -47 | 172.1 | 0 | 0 | 0 | 113.8 | ||||
| 373 | T | 28.5 | Very low | 34.4 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | cis | -150.5 | -164.3 | 36.2 | 47.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 374 | S | 31.1 | Very low | 34.5 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -86.4 | 149.9 | -175.5 | 53.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 375 | G | 27.6 | Very low | 34.8 | Very low | 85 Ų | 85 | 131.8 Ų | 131.8 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | trans | 173.6 | 134.1 | 162 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 376 | R | 30 | Very low | 34.8 | Very low | 242 Ų | 242 | 132.8 Ų | 132.8 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | trans | -119.9 | 172 | 167.6 | -142 | -161.5 | 165.4 | -150.3 | -1.8 | 106.3 | ||||
| 377 | P | 42.7 | Very low | 35.7 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | cis | -132.7 | -173.4 | -9 | 43.5 | -26.6 | 0 | 0 | 0 | 114.7 | ||||
| 378 | S | 35.1 | Very low | 35.8 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -80.1 | 160.3 | 163.9 | -29.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 379 | P | 42.3 | Very low | 36.7 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | -143.9 | -155.4 | 126.7 | 41.3 | -22.9 | 0 | 0 | 0 | 112.8 | |||||
| 380 | P | 53.6 | Low | 36.9 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | -135.8 | -179 | -98.9 | 42.5 | -22.8 | 0 | 0 | 0 | 117.5 | |||||
| 381 | H | 32.7 | Very low | 37.8 | Very low | 166 Ų | 166 | 134.5 Ų | 134.5 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | 28.8 | 145.8 | 144.1 | -76.8 | -97.8 | 0 | 0 | 0 | 121.6 | ||||
| 382 | D | 30.8 | Very low | 38.6 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | cis | -158.4 | -154.9 | 9.9 | -134.6 | -31.8 | 0 | 0 | 0 | 109.9 | ||||
| 383 | L | 33.8 | Very low | 38.6 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | cis | -158.2 | -172.3 | 4.5 | -132 | 177.5 | 0 | 0 | 0 | 109.8 | ||||
| 384 | R | 34.2 | Very low | 38.8 | Very low | 185 Ų | 185 | 132.8 Ų | 132.8 | 70% | 0.698 | 76% | 0.758 | S | S | * | * | trans | -138.7 | 149.5 | 170.7 | -169.1 | -157.4 | 175.5 | 173.4 | 0.4 | 110.3 | D386 | R384-D386 IonicContact CZ-OD2 3.28Å; R384-D386 VanDerWaalsContact CZ-OD2 3.28Å; R384-D386 IonicContact NE-OD2 3.19Å; R384-D386 PolarHBondContact NE-OD2 3.1Å; R384-D386 VanDerWaalsContact NE-OD2 3.1Å; R384-D386 IonicContact NH2-OD2 2.66Å; R384-D386 PolarHBondContact NH2-OD2 2.66Å | ||
| 385 | P | 43.3 | Very low | 39 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | -145.8 | 167.1 | 116.9 | 35.9 | -19.6 | 0 | 0 | 0 | 115.7 | |||||
| 386 | D | 33.7 | Very low | 39.3 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 53% | 0.529 | 75% | 0.752 | S | S | . | * | trans | -111.5 | 161.8 | 173.5 | -108.5 | -74.2 | 0 | 0 | 0 | 109 | R384 | R384-D386 IonicContact CZ-OD2 3.28Å; R384-D386 VanDerWaalsContact CZ-OD2 3.28Å; R384-D386 IonicContact NE-OD2 3.19Å; R384-D386 PolarHBondContact NE-OD2 3.1Å; R384-D386 VanDerWaalsContact NE-OD2 3.1Å; R384-D386 IonicContact NH2-OD2 2.66Å; R384-D386 PolarHBondContact NH2-OD2 2.66Å | ||
| 387 | P | 50 | Low | 39.5 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | -159.1 | 171.2 | 76.3 | 41.4 | -19.1 | 0 | 0 | 0 | 121.1 | |||||
| 388 | H | 36 | Very low | 39 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -32.6 | 166.1 | 160.2 | -71.7 | -48.6 | 0 | 0 | 0 | 119.9 | ||||
| 389 | P | 50.9 | Low | 39.5 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | cis | -148.2 | -170 | 42.2 | 42.2 | -19.2 | 0 | 0 | 0 | 120.7 | ||||
| 390 | L | 34.7 | Very low | 39 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | trans | -101.8 | -161.8 | -178.5 | -58.5 | 168.7 | 0 | 0 | 0 | 111.2 | ||||
| 391 | P | 51.4 | Low | 37.8 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | cis | -137 | -143.5 | -4.6 | 46.2 | -25 | 0 | 0 | 0 | 112.5 | ||||
| 392 | P | 58.8 | Low | 38 | Very low | 102 Ų | 102 | 150.4 Ų | 150.4 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | cis | -133.7 | -163.4 | -20.4 | 41.5 | -21.8 | 0 | 0 | 0 | 116.3 | ||||
| 393 | D | 29.7 | Very low | 38.4 | Very low | 144 Ų | 144 | 150.2 Ų | 150.2 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | 79.3 | 143.8 | 159.5 | -71.5 | -5.2 | 0 | 0 | 0 | 121.6 | ||||
| 394 | T | 32.7 | Very low | 38.4 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | cis | -149.3 | 166.6 | -2 | 10.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 395 | L | 34.2 | Very low | 38.4 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -34.2 | 151.7 | 174.5 | -65.9 | 152.9 | 0 | 0 | 0 | 122.3 | ||||
| 396 | H | 35.4 | Very low | 37.7 | Very low | 186 Ų | 186 | 148.6 Ų | 148.6 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | -169.9 | -176.8 | 123.4 | -104 | 54.9 | 0 | 0 | 0 | 114.8 | |||||
| 397 | H | 33.2 | Very low | 37.6 | Very low | 164 Ų | 164 | 151.6 Ų | 151.6 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | -109.6 | 172.2 | -152.5 | -80.1 | 13.2 | 0 | 0 | 0 | 119.9 | ||||
| 398 | H | 32.5 | Very low | 36.8 | Very low | 175 Ų | 175 | 153.2 Ų | 153.2 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -42.5 | 178.1 | 168.6 | -54.7 | -72.6 | 0 | 0 | 0 | 118.2 | ||||
| 399 | P | 45.8 | Very low | 36.6 | Very low | 121 Ų | 121 | 156.4 Ų | 156.4 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | cis | -145.3 | -170.5 | 16 | 43.4 | -21.4 | 0 | 0 | 0 | 119.4 | ||||
| 400 | Y | 31.8 | Very low | 35.7 | Very low | 216 Ų | 216 | 158.6 Ų | 158.6 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -39.6 | 152.1 | 173.3 | -84.6 | -98 | 0 | 0 | 0 | 119.3 | ||||
| 401 | K | 28.6 | Very low | 35.5 | Very low | 204 Ų | 204 | 154.8 Ų | 154.8 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | -169.6 | 151 | 123.1 | -108.7 | 166.9 | -173.8 | 177.3 | 0 | 116 | |||||
| 402 | Y | 36.1 | Very low | 34.6 | Very low | 212 Ų | 212 | 153.9 Ų | 153.9 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -80.4 | 161.7 | 162.1 | -102.5 | -95.6 | 0 | 0 | 0 | 111.3 | ||||
| 403 | P | 40.2 | Very low | 33.3 | Very low | 122 Ų | 122 | 159 Ų | 159 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -126.2 | 144.6 | 147.3 | 35.5 | -23.9 | 0 | 0 | 0 | 113.8 | ||||
| 404 | T | 32.8 | Very low | 33.7 | Very low | 127 Ų | 127 | 158.6 Ų | 158.6 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -138.5 | 161 | 167.9 | 48.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 405 | A | 33.9 | Very low | 33.7 | Very low | 93 Ų | 93 | 164.3 Ų | 164.3 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | 71.1 | 146.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 406 | Y | 28.7 | Very low | 34 | Very low | 211 Ų | 211 | 163 Ų | 163 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | cis | -142.1 | 172.3 | 37.5 | -132.1 | -92.6 | 0 | 0 | 0 | 115.2 | ||||
| 407 | E | 31.5 | Very low | 34.1 | Very low | 161 Ų | 161 | 158.7 Ų | 158.7 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -83.7 | -176.9 | 175 | -72.5 | -170.1 | 89.3 | 0 | 0 | 114.7 | ||||
| 408 | H | 32.9 | Very low | 34.6 | Very low | 155 Ų | 155 | 156.5 Ų | 156.5 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | trans | 77.8 | 123.8 | 178.9 | -46.3 | -78.8 | 0 | 0 | 0 | 113.9 | ||||
| 409 | Y | 32 | Very low | 34.5 | Very low | 230 Ų | 230 | 158.5 Ų | 158.5 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | -146.4 | 161.7 | 52.7 | -121.8 | -97.7 | 0 | 0 | 0 | 115.6 | |||||
| 410 | L | 33.8 | Very low | 34.5 | Very low | 169 Ų | 169 | 158.3 Ų | 158.3 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | trans | -76.1 | 147.5 | 166.4 | -69.7 | 146.7 | 0 | 0 | 0 | 111.3 | ||||
| 411 | G | 28.8 | Very low | 35 | Very low | 79 Ų | 79 | 155.6 Ų | 155.6 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | 152 | 119.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 412 | A | 33.3 | Very low | 35.7 | Very low | 97 Ų | 97 | 152 Ų | 152 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -84.1 | 147.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 413 | K | 31.8 | Very low | 35.6 | Very low | 210 Ų | 210 | 147 Ų | 147 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | -168.2 | 141.6 | 138 | -104.4 | 149.6 | -167.9 | 175.6 | 0 | 112.7 | ||||
| 414 | T | 37 | Very low | 35.6 | Very low | 135 Ų | 135 | 148.3 Ų | 148.3 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | trans | -78.6 | 152 | 171.3 | 43 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 415 | R | 33 | Very low | 35.7 | Very low | 243 Ų | 243 | 153.7 Ų | 153.7 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | -143 | 160.3 | 163.3 | -98.7 | -153.7 | 160 | -161.7 | -4.8 | 110.6 | ||||
| 416 | P | 41.8 | Very low | 35.6 | Very low | 112 Ų | 112 | 152.1 Ų | 152.1 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -117.9 | 169 | -143.6 | 31.4 | -14.4 | 0 | 0 | 0 | 115.6 | ||||
| 417 | S | 36.6 | Very low | 35.9 | Very low | 97 Ų | 97 | 151.4 Ų | 151.4 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | -71.3 | 147 | 169.5 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 418 | P | 42.8 | Very low | 35.9 | Very low | 118 Ų | 118 | 149 Ų | 149 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -71.9 | 158.1 | 169.6 | 30.2 | -34.5 | 0 | 0 | 0 | 113.2 | ||||
| 419 | Y | 30.6 | Very low | 35.9 | Very low | 217 Ų | 217 | 152.2 Ų | 152.2 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -94.1 | 178 | -175.8 | -75.6 | -81.2 | 0 | 0 | 0 | 112 | ||||
| 420 | P | 47.1 | Very low | 36 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | cis | -134.8 | 176 | 9.9 | 41.4 | -23.9 | 0 | 0 | 0 | 117.6 | ||||
| 421 | L | 41.8 | Very low | 36 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -122.9 | 148.7 | 161.3 | -80.3 | 170.1 | 0 | 0 | 0 | 110.2 | ||||
| 422 | P | 42.8 | Very low | 36.1 | Very low | 127 Ų | 127 | 152.8 Ų | 152.8 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -77.4 | 171.3 | 169.6 | 33.7 | -34.5 | 0 | 0 | 0 | 112.3 | ||||
| 423 | S | 34.6 | Very low | 36.2 | Very low | 107 Ų | 107 | 155.7 Ų | 155.7 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -147.6 | 172.4 | -148.9 | -157.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 424 | I | 39.8 | Very low | 36.3 | Very low | 151 Ų | 151 | 153.2 Ų | 153.2 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | trans | 78.9 | 100.9 | 160.1 | -59.7 | 160.1 | 0 | 0 | 0 | 119.1 | ||||
| 425 | R | 34.2 | Very low | 37.2 | Very low | 240 Ų | 240 | 152 Ų | 152 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | 175.3 | 134 | 113.8 | -89.3 | -173.9 | -169.5 | -175.4 | 2.7 | 108.4 | |||||
| 426 | G | 32.7 | Very low | 37.5 | Very low | 59 Ų | 59 | 145 Ų | 145 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | cis | 120.7 | 105.1 | -7.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 427 | H | 35.3 | Very low | 37.3 | Very low | 196 Ų | 196 | 146.7 Ų | 146.7 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | -171.9 | 168 | 150.2 | -90.4 | -52.2 | 0 | 0 | 0 | 110.1 | ||||
| 428 | T | 30.6 | Very low | 37.3 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | trans | -136.1 | 155.4 | -154.8 | -29.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 429 | Y | 34 | Very low | 37 | Very low | 222 Ų | 222 | 148.8 Ų | 148.8 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | -176.2 | -173.2 | 124.7 | -103.2 | -67.5 | 0 | 0 | 0 | 112.9 | |||||
| 430 | H | 33.5 | Very low | 37.2 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -110.1 | 152 | -141.9 | -108.7 | -114.3 | 0 | 0 | 0 | 118.7 | ||||
| 431 | H | 33 | Very low | 36.6 | Very low | 152 Ų | 152 | 148.8 Ų | 148.8 | 70% | 0.704 | 78% | 0.78 | S | S | * | * | trans | 4.2 | 144.2 | 146.6 | -77.9 | -99.1 | 0 | 0 | 0 | 122 | ||||
| 432 | H | 31.8 | Very low | 36.2 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | -148.5 | 159.9 | 120.5 | -129.5 | -82.1 | 0 | 0 | 0 | 113.3 | |||||
| 433 | M | 35.3 | Very low | 35.9 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -144.5 | 140.1 | 176.6 | -90.1 | -80.1 | -179 | 0 | 0 | 109.9 | ||||
| 434 | N | 33.5 | Very low | 35.9 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | 179.9 | 166 | 127.3 | -112.1 | 5.6 | 0 | 0 | 0 | 112.9 | |||||
| 435 | P | 55.9 | Low | 35.8 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | trans | -119 | 170 | -168.8 | 43.1 | -33.7 | 0 | 0 | 0 | 116.9 | ||||
| 436 | A | 39.6 | Very low | 35.8 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | 54.5 | 122.7 | 143.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 437 | T | 36.7 | Very low | 36.6 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 91% | 0.908 | 78% | 0.776 | S | S | * | * | trans | -144.5 | 179.2 | 150.4 | 48.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 438 | T | 37.4 | Very low | 36.8 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -128.6 | 171.1 | -153 | -29.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 439 | N | 37.6 | Very low | 37.1 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | 109.3 | 124.8 | 141.2 | -86.5 | -9.1 | 0 | 0 | 0 | 123.2 | ||||
| 440 | M | 34.3 | Very low | 37.9 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 67% | 0.665 | 78% | 0.779 | S | S | * | * | trans | 86.4 | 123 | 133.5 | -64.4 | -64.9 | -165.5 | 0 | 0 | 124.9 | ||||
| 441 | Y | 34.2 | Very low | 38.5 | Very low | 197 Ų | 197 | 136.4 Ų | 136.4 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | 66.4 | 108 | 141.6 | -69.9 | -52.7 | 0 | 0 | 0 | 125.9 | ||||
| 442 | S | 34.2 | Very low | 39.3 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | 75.5 | 126.1 | 118 | -67.7 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 443 | A | 36.1 | Very low | 40 | Very low | 92 Ų | 92 | 134.1 Ų | 134.1 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | 70.3 | 147.5 | 145.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 444 | T | 35.1 | Very low | 41.3 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | cis | -156.7 | 169.3 | 37.3 | 39.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 445 | S | 36.9 | Very low | 41.8 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | 62.5 | 130 | 149 | 60 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 446 | G | 34.8 | Very low | 41.1 | Very low | 76 Ų | 76 | 142.1 Ų | 142.1 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | 153.6 | 83.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 447 | P | 48.7 | Very low | 41.2 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -104.7 | 162.2 | -165.7 | 38.9 | -34.8 | 0 | 0 | 0 | 116.5 | ||||
| 448 | S | 39.8 | Very low | 41.5 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | 54.3 | 112.5 | 146.4 | 60.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 449 | N | 37.2 | Very low | 41.7 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | -151.7 | 106.1 | 128.2 | -150.2 | 2.6 | 0 | 0 | 0 | 111.2 | |||||
| 450 | Y | 51.3 | Low | 42 | Very low | 241 Ų | 241 | 146.3 Ų | 146.3 | 95% | 0.945 | 80% | 0.803 | S | S | * | * | trans | -148.3 | 125.7 | 162.1 | -97.5 | -71.5 | 0 | 0 | 0 | 108.2 | ||||
| 451 | D | 45.8 | Very low | 42.5 | Very low | 134 Ų | 134 | 147 Ų | 147 | 72% | 0.717 | 81% | 0.812 | S | S | * | * | trans | -97.8 | 135.6 | -173 | -177.5 | 13.5 | 0 | 0 | 0 | 110.8 | ||||
| 452 | Y | 49.4 | Very low | 43.1 | Very low | 234 Ų | 234 | 143.4 Ų | 143.4 | 92% | 0.918 | 81% | 0.814 | S | S | * | * | trans | -159.5 | 89.4 | 164 | -113.4 | -73.7 | 0 | 0 | 0 | 110.4 | ||||
| 453 | G | 45.4 | Very low | 43.8 | Very low | 57 Ų | 57 | 146.5 Ų | 146.5 | 59% | 0.588 | 82% | 0.821 | S | S | * | * | trans | -83 | 150.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 454 | P | 63.6 | Low | 44.4 | Very low | 127 Ų | 127 | 151 Ų | 151 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | -101.3 | 152.2 | -167.5 | 37.4 | -35.4 | 0 | 0 | 0 | 115.4 | ||||
| 455 | R | 44.7 | Very low | 45.2 | Very low | 324 Ų | 324 | 153.5 Ų | 153.5 | 100% | 1.223 | 83% | 0.832 | S | S | * | * | trans | -161.3 | 0 | 131.5 | -112.2 | 174.8 | -170 | -151.4 | 0.3 | 112.5 |
Retrieved 455 of 455 residues in 985.5 ms
(Link to these results)