| 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 | 30.1 | Very low | 52.3 | Low | 186 Ų | 186 | 97.9 Ų | 97.9 | 92% | 0.916 | 53% | 0.527 | S | S | * | . | 0 | 162.6 | 0 | -78.6 | 177.9 | 174.7 | 0 | 0 | 108.4 | A3 | M1-A3 PolarHBondContact O-N 2.9Š| |||
| 2 | P | 40.1 | Very low | 53.2 | Low | 93 Ų | 93 | 96 Ų | 96 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | trans | -59.8 | 136.2 | 169.1 | 26.8 | -33.9 | 0 | 0 | 0 | 110.2 | M4 Q354 | P2-M4 PolarHBondContact O-N 3.46Å; P2-Q354 HydrophobicContact CB-CG 4.39Å | ||
| 3 | A | 49.8 | Very low | 54.1 | Low | 36 Ų | 36 | 92.1 Ų | 92.1 | 30% | 0.298 | 50% | 0.498 | S | S | . | . | trans | -57.9 | 113.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | M1 R5 Q354 | M1-A3 PolarHBondContact O-N 2.9Å; A3-R5 PolarHBondContact O-N 2.89Å; A3-Q354 VanDerWaalsContact N-NE2 3.11Å | ||
| 4 | M | 56 | Low | 55.2 | Low | 141 Ų | 141 | 86.2 Ų | 86.2 | 70% | 0.695 | 47% | 0.466 | S | S | * | . | trans | -56.7 | 113.1 | -178.4 | -78.8 | -174.5 | 160.2 | 0 | 0 | 109.8 | P2 G6 | P2-M4 PolarHBondContact O-N 3.46Å; M4-G6 PolarHBondContact O-N 2.64Å; M4-G6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | R | 59.6 | Low | 55.9 | Low | 188 Ų | 188 | 85.7 Ų | 85.7 | 71% | 0.709 | 46% | 0.462 | S | S | * | . | trans | -68.3 | -6.4 | 175.7 | -59.1 | -176.3 | 175 | -176.4 | -2.9 | 113.2 | A3 L8 H219 | A3-R5 PolarHBondContact O-N 2.89Å; R5-L8 VanDerWaalsContact O-CD1 3.3Å; R5-L8 WeakPolarHBondContact O-CD1 3.28Å; R5-H219 PolarHBondContact O-CE1 3.32Å; R5-H219 PolarHBondContact O-NE2 3.3Å | ||
| 6 | G | 57.8 | Low | 56.4 | Low | 21 Ų | 21 | 86.3 Ų | 86.3 | 22% | 0.216 | 47% | 0.465 | C | S | . | . | trans | 71.1 | 161.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | M4 L8 G289 | M4-G6 PolarHBondContact O-N 2.64Å; M4-G6 VanDerWaalsContact O-N 3.13Å; G6-L8 PolarHBondContact O-N 3.41Å; G6-G289 CarbonylContact C-O 3.58Å; G6-G289 WeakPolarHBondContact CA-O 3.31Å | ||
| 7 | L | 61.1 | Low | 57.1 | Low | 120 Ų | 120 | 83.8 Ų | 83.8 | 63% | 0.628 | 45% | 0.454 | S | S | * | . | B | Isolated β-bridge | trans | -71.7 | 96.3 | 170.7 | -66.9 | 173.2 | 0 | 0 | 0 | 108.6 | G289 | L7-G289 PolarHBondContact N-O 3.27Å |
| 8 | L | 57.1 | Low | 57.7 | Low | 62 Ų | 62 | 79.3 Ų | 79.3 | 33% | 0.325 | 43% | 0.429 | S | S | . | . | trans | -100.1 | 12.9 | 178.2 | -77 | 167.2 | 0 | 0 | 0 | 113 | R5 G6 I210 L218 V291 F293 | R5-L8 VanDerWaalsContact O-CD1 3.3Å; R5-L8 WeakPolarHBondContact O-CD1 3.28Å; G6-L8 PolarHBondContact O-N 3.41Å; L8-I210 HydrophobicContact CD2-CD1 3.84Å; L8-L218 HydrophobicContact CD1-CD2 4.34Å; L8-L218 HydrophobicContact CD2-CD1 4.26Å; L8-V291 HydrophobicContact CD1-CG2 4.48Å; L8-V291 HydrophobicContact CD2-CB 4.07Å; L8-V291 HydrophobicContact CD2-CG1 4.41Å; L8-V291 HydrophobicContact CD2-CG2 3.7Å; L8-V291 HydrophobicContact CG-CG2 3.79Å; L8-F293 HydrophobicContact CD2-CE2 4.4Å; L8-F293 HydrophobicContact CD2-CZ 3.89Å | ||
| 9 | A | 53.2 | Low | 57.9 | Low | 60 Ų | 60 | 77 Ų | 77 | 50% | 0.496 | 42% | 0.422 | S | S | . | . | trans | -57.3 | 132 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q11 | A9-Q11 PolarHBondContact O-N 3.45Š| ||
| 10 | P | 54 | Low | 58.1 | Low | 64 Ų | 64 | 78.3 Ų | 78.3 | 42% | 0.416 | 43% | 0.433 | S | S | . | . | trans | -74.1 | 92.3 | 179.7 | 31.1 | -34.6 | 0 | 0 | 0 | 109.7 | V207 | P10-V207 HydrophobicContact CB-CG1 3.78Å; P10-V207 HydrophobicContact CG-CG1 4.17Å | ||
| 11 | Q | 56.1 | Low | 58.3 | Low | 106 Ų | 106 | 79.7 Ų | 79.7 | 50% | 0.495 | 43% | 0.431 | S | S | . | . | trans | -83.4 | 141.5 | -174.5 | -74 | 175.8 | -19.7 | 0 | 0 | 112.4 | A9 T13 | A9-Q11 PolarHBondContact O-N 3.45Å; Q11-T13 HydrophobicContact CB-CG2 3.85Å; Q11-T13 PolarHBondContact O-N 3.32Å | ||
| 12 | N | 63.6 | Low | 59.7 | Low | 75 Ų | 75 | 72 Ų | 72 | 40% | 0.401 | 39% | 0.393 | S | S | . | . | trans | -71.6 | 60.6 | 167.2 | -79.4 | -26.4 | 0 | 0 | 0 | 111.4 | F14 K206 V207 | N12-F14 PolarHBondContact O-N 2.83Å; N12-K206 PolarHBondContact OD1-O 3.15Å; N12-V207 VanDerWaalsContact OD1-CA 3.24Å; N12-V207 WeakPolarHBondContact OD1-CA 3.39Å; N12-V207 WeakPolarHBondContact OD1-CG2 3.17Å; N12-V207 PolarHBondContact OD1-N 3.31Å | ||
| 13 | T | 64.3 | Low | 59.9 | Low | 45 Ų | 45 | 73 Ų | 73 | 28% | 0.276 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 16.6 | 174.2 | 56.2 | 0 | 0 | 0 | 0 | 113.4 | Q11 D16 T17 | Q11-T13 HydrophobicContact CB-CG2 3.85Å; Q11-T13 PolarHBondContact O-N 3.32Å; T13-D16 PolarHBondContact O-N 3.44Å; T13-T17 WeakPolarHBondContact O-CB 3.41Å; T13-T17 PolarHBondContact O-N 3.03Å; T13-T17 PolarHBondContact O-OG1 2.97Å |
| 14 | F | 69.4 | Low | 59.8 | Low | 10 Ų | 10 | 73.2 Ų | 73.2 | 4% | 0.044 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 173.1 | 169.3 | -97.2 | 0 | 0 | 0 | 111.6 | N12 T17 I18 L31 I116 L125 P203 E204 Y205 | N12-F14 PolarHBondContact O-N 2.83Å; F14-T17 PolarHBondContact O-N 2.96Å; F14-I18 HydrophobicContact CD1-CD1 4.25Å; F14-I18 HydrophobicContact CD2-CD1 4.41Å; F14-I18 HydrophobicContact CE1-CD1 3.62Å; F14-I18 HydrophobicContact CE2-CD1 3.8Å; F14-I18 HydrophobicContact CZ-CD1 3.37Å; F14-I18 WeakPolarHBondContact O-CG1 3.46Å; F14-I18 PolarHBondContact O-N 3.25Å; F14-L31 HydrophobicContact CE1-CD1 4.07Å; F14-I116 HydrophobicContact CE2-CD1 4.03Å; F14-I116 HydrophobicContact CE2-CG2 3.68Å; F14-I116 HydrophobicContact CZ-CD1 3.73Å; F14-I116 HydrophobicContact CZ-CG2 3.89Å; F14-L125 HydrophobicContact CD1-CD1 4.47Å; F14-L125 HydrophobicContact CE1-CD1 3.55Å; F14-L125 HydrophobicContact CZ-CD1 3.75Å; F14-P203 HydrophobicContact CD2-CB 4.18Å; F14-P203 HydrophobicContact CE2-CB 4.25Å; F14-P203 HydrophobicContact CE2-CG 4.36Å; F14-E204 WeakPolarHBondContact CD2-O 3.48Å; F14-Y205 HydrophobicContact CB-CD2 4.44Å; F14-Y205 AromaticContact CD1-CD2 3.65Å; F14-Y205 HydrophobicContact CD1-CD2 3.65Å; F14-Y205 HydrophobicContact CD1-CE2 4.21Å; F14-Y205 HydrophobicContact CD2-CD2 4.28Å; F14-Y205 AromaticContact CE1-CD2 3.84Å; F14-Y205 HydrophobicContact CE1-CD2 3.84Å; F14-Y205 HydrophobicContact CE2-CD2 4.45Å; F14-Y205 AromaticContact CG-CD2 3.87Å; F14-Y205 HydrophobicContact CG-CD2 3.87Å; F14-Y205 HydrophobicContact CZ-CD2 4.23Å |
| 15 | L | 67 | Low | 59.3 | Low | 78 Ų | 78 | 69.7 Ų | 69.7 | 41% | 0.408 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 176.4 | -69.8 | 179.6 | 0 | 0 | 0 | 111.1 | T17 I18 A19 L31 | L15-T17 VanDerWaalsContact C-N 3.33Å; L15-T17 PolarHBondContact O-N 3.06Å; L15-I18 PolarHBondContact O-N 3.23Å; L15-A19 WeakPolarHBondContact O-CB 3.48Å; L15-A19 PolarHBondContact O-N 2.62Å; L15-L31 HydrophobicContact CD2-CD1 3.5Å |
| 16 | D | 64 | Low | 58.9 | Low | 95 Ų | 95 | 66.7 Ų | 66.7 | 51% | 0.508 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 175.7 | -53.9 | -42.8 | 0 | 0 | 0 | 112.5 | T13 T20 | T13-D16 PolarHBondContact O-N 3.44Å; D16-T20 WeakPolarHBondContact O-CB 3.18Å; D16-T20 VanDerWaalsContact O-CG2 3.31Å; D16-T20 WeakPolarHBondContact O-CG2 3.48Å; D16-T20 PolarHBondContact O-N 2.96Å; D16-T20 PolarHBondContact O-OG1 3.48Å |
| 17 | T | 67.4 | Low | 59.4 | Low | 45 Ų | 45 | 67 Ų | 67 | 28% | 0.276 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -71.2 | -32.7 | 176.6 | -62.3 | 0 | 0 | 0 | 0 | 111.5 | T13 F14 L15 R21 P203 | T13-T17 WeakPolarHBondContact O-CB 3.41Å; T13-T17 PolarHBondContact O-N 3.03Å; T13-T17 PolarHBondContact O-OG1 2.97Å; F14-T17 PolarHBondContact O-N 2.96Å; L15-T17 VanDerWaalsContact C-N 3.33Å; L15-T17 PolarHBondContact O-N 3.06Å; T17-R21 VanDerWaalsContact O-CB 3.28Å; T17-R21 WeakPolarHBondContact O-CB 3.47Å; T17-R21 WeakPolarHBondContact O-CD 3.33Å; T17-R21 WeakPolarHBondContact O-CG 3.43Å; T17-R21 PolarHBondContact O-N 2.75Å; T17-P203 HydrophobicContact CG2-CB 4.1Å |
| 18 | I | 67.4 | Low | 60.6 | Low | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.7 | -58.1 | 168.8 | -72.3 | 178.6 | 0 | 0 | 0 | 108.7 | F14 L15 T20 R21 F22 F29 L31 I116 P203 | F14-I18 HydrophobicContact CD1-CD1 4.25Å; F14-I18 HydrophobicContact CD2-CD1 4.41Å; F14-I18 HydrophobicContact CE1-CD1 3.62Å; F14-I18 HydrophobicContact CE2-CD1 3.8Å; F14-I18 HydrophobicContact CZ-CD1 3.37Å; F14-I18 WeakPolarHBondContact O-CG1 3.46Å; F14-I18 PolarHBondContact O-N 3.25Å; L15-I18 PolarHBondContact O-N 3.23Å; I18-T20 PolarHBondContact O-N 2.95Å; I18-R21 PolarHBondContact O-N 3.28Å; I18-F22 HydrophobicContact CB-CD2 4.45Å; I18-F22 HydrophobicContact CG2-CD2 3.7Å; I18-F22 HydrophobicContact CG2-CE2 4.18Å; I18-F22 VanDerWaalsContact O-CB 3.32Å; I18-F22 WeakPolarHBondContact O-CB 3.49Å; I18-F22 VanDerWaalsContact O-CD2 3.29Å; I18-F22 WeakPolarHBondContact O-CD2 3.15Å; I18-F22 PolarHBondContact O-N 3.02Å; I18-F29 HydrophobicContact CG2-CE1 4.13Å; I18-F29 HydrophobicContact CG2-CE2 3.77Å; I18-F29 HydrophobicContact CG2-CZ 3.46Å; I18-F29 VanDerWaalsContact CG2-CZ 3.46Å; I18-L31 HydrophobicContact CD1-CD2 4.35Å; I18-I116 HydrophobicContact CD1-CD1 4.33Å; I18-P203 HydrophobicContact CD1-CG 4.35Å; I18-P203 HydrophobicContact CG1-CG 3.88Å |
| 19 | A | 62.8 | Low | 62 | Low | 36 Ų | 36 | 59.7 Ų | 59.7 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -47.3 | -58.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L15 R21 F22 D23 | L15-A19 WeakPolarHBondContact O-CB 3.48Å; L15-A19 PolarHBondContact O-N 2.62Å; A19-R21 VanDerWaalsContact C-N 3.33Å; A19-R21 PolarHBondContact O-N 3.29Å; A19-F22 CarbonylContact O-C 3.56Å; A19-F22 WeakPolarHBondContact O-CA 3.45Å; A19-F22 PolarHBondContact O-N 3.08Å; A19-D23 WeakPolarHBondContact O-CA 3.36Å; A19-D23 VanDerWaalsContact O-CB 3.26Å; A19-D23 WeakPolarHBondContact O-CB 3.5Å; A19-D23 VanDerWaalsContact O-CG 3.24Å; A19-D23 PolarHBondContact O-N 2.64Å |
| 20 | T | 60.6 | Low | 63.8 | Low | 103 Ų | 103 | 56.8 Ų | 56.8 | 63% | 0.632 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64 | -28 | -179.8 | 55.6 | 0 | 0 | 0 | 0 | 115.1 | D16 I18 | D16-T20 WeakPolarHBondContact O-CB 3.18Å; D16-T20 VanDerWaalsContact O-CG2 3.31Å; D16-T20 WeakPolarHBondContact O-CG2 3.48Å; D16-T20 PolarHBondContact O-N 2.96Å; D16-T20 PolarHBondContact O-OG1 3.48Å; I18-T20 PolarHBondContact O-N 2.95Å |
| 21 | R | 62.2 | Low | 65.6 | Low | 108 Ų | 108 | 53.9 Ų | 53.9 | 41% | 0.408 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -75.3 | -27.7 | 170.7 | -77.4 | -179 | -175.9 | -159.8 | 6.7 | 112.5 | T17 I18 A19 N201 | T17-R21 VanDerWaalsContact O-CB 3.28Å; T17-R21 WeakPolarHBondContact O-CB 3.47Å; T17-R21 WeakPolarHBondContact O-CD 3.33Å; T17-R21 WeakPolarHBondContact O-CG 3.43Å; T17-R21 PolarHBondContact O-N 2.75Å; I18-R21 PolarHBondContact O-N 3.28Å; A19-R21 VanDerWaalsContact C-N 3.33Å; A19-R21 PolarHBondContact O-N 3.29Å; R21-N201 PolarHBondContact NH1-O 3.44Å; R21-N201 VanDerWaalsContact NH1-O 3.09Å |
| 22 | F | 60 | Low | 67.2 | Low | 24 Ų | 24 | 48.8 Ų | 48.8 | 11% | 0.105 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -106.8 | -6.6 | -173 | -80.1 | -79.8 | 0 | 0 | 0 | 113.9 | I18 A19 G24 S27 L127 L177 | I18-F22 HydrophobicContact CB-CD2 4.45Å; I18-F22 HydrophobicContact CG2-CD2 3.7Å; I18-F22 HydrophobicContact CG2-CE2 4.18Å; I18-F22 VanDerWaalsContact O-CB 3.32Å; I18-F22 WeakPolarHBondContact O-CB 3.49Å; I18-F22 VanDerWaalsContact O-CD2 3.29Å; I18-F22 WeakPolarHBondContact O-CD2 3.15Å; I18-F22 PolarHBondContact O-N 3.02Å; A19-F22 CarbonylContact O-C 3.56Å; A19-F22 WeakPolarHBondContact O-CA 3.45Å; A19-F22 PolarHBondContact O-N 3.08Å; F22-G24 PolarHBondContact O-N 2.85Å; F22-S27 VanDerWaalsContact O-CB 3.24Å; F22-S27 WeakPolarHBondContact O-CB 3.37Å; F22-S27 PolarHBondContact O-OG 2.96Å; F22-L127 HydrophobicContact CE2-CD2 4.22Å; F22-L127 HydrophobicContact CZ-CD2 4.16Å; F22-L177 HydrophobicContact CE1-CD1 4.23Å; F22-L177 HydrophobicContact CE2-CD1 4.39Å; F22-L177 HydrophobicContact CZ-CD1 3.7Å |
| 23 | D | 44.6 | Very low | 68.6 | Low | 114 Ų | 114 | 47 Ų | 47 | 61% | 0.61 | 26% | 0.263 | S | S | * | . | trans | -67.2 | 5.7 | 177.7 | -95.2 | -33.8 | 0 | 0 | 0 | 114 | A19 T25 | A19-D23 WeakPolarHBondContact O-CA 3.36Å; A19-D23 VanDerWaalsContact O-CB 3.26Å; A19-D23 WeakPolarHBondContact O-CB 3.5Å; A19-D23 VanDerWaalsContact O-CG 3.24Å; A19-D23 PolarHBondContact O-N 2.64Å; D23-T25 PolarHBondContact O-N 2.81Å | ||
| 24 | G | 47.3 | Very low | 69.8 | Low | 41 Ų | 41 | 45.1 Ų | 45.1 | 42% | 0.423 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -66.6 | 32.6 | 168 | 0 | 0 | 0 | 0 | 0 | 114.8 | F22 | F22-G24 PolarHBondContact O-N 2.85Š|
| 25 | T | 46.3 | Very low | 70.5 | Confident | 67 Ų | 67 | 50.7 Ų | 50.7 | 41% | 0.411 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 60.5 | 122.8 | -179.2 | 54.6 | 0 | 0 | 0 | 0 | 115.8 | D23 N166 | D23-T25 PolarHBondContact O-N 2.81Å; T25-N166 PolarHBondContact OG1-ND2 3.14Å |
| 26 | H | 51.2 | Low | 71.4 | Confident | 124 Ų | 124 | 50.3 Ų | 50.3 | 57% | 0.574 | 28% | 0.279 | S | S | * | . | trans | 66 | 54.1 | 176.2 | -44.1 | -72.7 | 0 | 0 | 0 | 115.5 | F163 | H26-F163 AromaticContact NE2-CE1 3.82Š| ||
| 27 | S | 67.6 | Low | 71.9 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | trans | -88 | 100.4 | 164.9 | 44.1 | 0 | 0 | 0 | 0 | 110.4 | F22 S46 | F22-S27 VanDerWaalsContact O-CB 3.24Å; F22-S27 WeakPolarHBondContact O-CB 3.37Å; F22-S27 PolarHBondContact O-OG 2.96Å; S27-S46 PolarHBondContact O-OG 3.3Å | ||
| 28 | N | 85.4 | Confident | 72.4 | Confident | 21 Ų | 21 | 50.8 Ų | 50.8 | 11% | 0.112 | 31% | 0.308 | C | S | . | . | trans | -95.8 | 109.1 | -179.6 | -20.8 | -65.7 | 0 | 0 | 0 | 107.7 | G48 F49 L52 S129 H130 | N28-G48 PolarHBondContact OD1-O 2.83Å; N28-F49 HydrophobicContact CB-CB 4.35Å; N28-L52 HydrophobicContact CB-CB 4.41Å; N28-L52 HydrophobicContact CB-CD2 3.9Å; N28-S129 PolarHBondContact O-OG 2.88Å; N28-H130 HydrophobicContact CB-CB 4.49Å; N28-H130 WeakPolarHBondContact CB-O 3.49Å; N28-H130 PolarHBondContact ND2-O 2.71Å; N28-H130 PolarHBondContact O-N 3.46Å | ||
| 29 | F | 87.9 | Confident | 72.9 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 158.9 | -179.7 | 70.5 | -87.9 | 0 | 0 | 0 | 113.3 | I18 L31 Y44 S46 L127 V128 | I18-F29 HydrophobicContact CG2-CE1 4.13Å; I18-F29 HydrophobicContact CG2-CE2 3.77Å; I18-F29 HydrophobicContact CG2-CZ 3.46Å; I18-F29 VanDerWaalsContact CG2-CZ 3.46Å; F29-L31 HydrophobicContact CD2-CG 4.45Å; F29-L31 HydrophobicContact CE2-CD1 4.5Å; F29-L31 HydrophobicContact CE2-CG 4.34Å; F29-Y44 AromaticContact CE2-CD1 3.93Å; F29-Y44 HydrophobicContact CE2-CD1 3.93Å; F29-Y44 AromaticContact CE2-CE1 3.64Å; F29-Y44 HydrophobicContact CE2-CE1 3.64Å; F29-Y44 AromaticContact CZ-CE1 3.81Å; F29-Y44 HydrophobicContact CZ-CE1 3.81Å; F29-S46 PolarHBondContact N-OG 3.3Å; F29-S46 PolarHBondContact O-N 3.22Å; F29-S46 PolarHBondContact O-OG 2.81Å; F29-L127 HydrophobicContact CB-CD1 3.83Å; F29-L127 HydrophobicContact CD2-CD1 3.4Å; F29-L127 VanDerWaalsContact CD2-CD1 3.4Å; F29-L127 HydrophobicContact CE2-CD1 4.18Å; F29-L127 HydrophobicContact CG-CD1 3.81Å; F29-V128 VanDerWaalsContact CA-O 3.3Å; F29-V128 WeakPolarHBondContact CA-O 3.42Å |
| 30 | V | 90.8 | Very high | 74.2 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 154.9 | 167.7 | -57.8 | 0 | 0 | 0 | 0 | 110.3 | V42 Y44 C45 F49 V60 V128 | V30-V42 HydrophobicContact CB-CG1 4.06Å; V30-V42 HydrophobicContact CB-CG2 4.2Å; V30-V42 HydrophobicContact CG1-CG1 4.43Å; V30-V42 HydrophobicContact CG2-CG2 4.16Å; V30-Y44 CarbonylContact C-O 3.46Å; V30-Y44 WeakPolarHBondContact CA-O 3.42Å; V30-C45 HydrophobicContact CG1-CB 3.76Å; V30-F49 HydrophobicContact CG1-CD1 3.75Å; V30-F49 HydrophobicContact CG1-CD2 3.86Å; V30-F49 HydrophobicContact CG1-CE1 3.75Å; V30-F49 HydrophobicContact CG1-CE2 3.85Å; V30-F49 HydrophobicContact CG1-CG 3.8Å; V30-F49 HydrophobicContact CG1-CZ 3.78Å; V30-V60 HydrophobicContact CG1-CG1 4.23Å; V30-V128 HydrophobicContact CG2-CB 3.88Å; V30-V128 HydrophobicContact CG2-CG2 4.48Å; V30-V128 PolarHBondContact N-O 3.42Å; V30-V128 PolarHBondContact O-N 3.32Å |
| 31 | L | 90.7 | Very high | 75.8 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 121.5 | 169.8 | -67.6 | 168.2 | 0 | 0 | 0 | 108.9 | F14 L15 I18 F29 V42 V43 Y44 I116 F126 L127 | F14-L31 HydrophobicContact CE1-CD1 4.07Å; L15-L31 HydrophobicContact CD2-CD1 3.5Å; I18-L31 HydrophobicContact CD1-CD2 4.35Å; F29-L31 HydrophobicContact CD2-CG 4.45Å; F29-L31 HydrophobicContact CE2-CD1 4.5Å; F29-L31 HydrophobicContact CE2-CG 4.34Å; L31-V42 CarbonylContact O-C 3.53Å; L31-V42 WeakPolarHBondContact O-CA 3.34Å; L31-V43 HydrophobicContact CB-CG2 4.25Å; L31-V43 WeakPolarHBondContact O-CG2 3.3Å; L31-V43 PolarHBondContact O-N 3.35Å; L31-Y44 HydrophobicContact CD1-CD1 4.04Å; L31-Y44 HydrophobicContact CD1-CG 4.39Å; L31-Y44 HydrophobicContact CG-CD1 4.42Å; L31-Y44 PolarHBondContact N-O 3.34Å; L31-Y44 PolarHBondContact O-N 3.09Å; L31-I116 HydrophobicContact CD2-CD1 4.46Å; L31-F126 CarbonylContact C-O 3.59Å; L31-F126 VanDerWaalsContact CA-O 3.3Å; L31-F126 WeakPolarHBondContact CA-O 3.45Å; L31-L127 HydrophobicContact CD2-CB 3.98Å; L31-L127 HydrophobicContact CD2-CD1 3.86Å |
| 32 | G | 91.4 | Very high | 77.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 147.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P41 L125 F126 | G32-P41 CarbonylContact C-O 3.51Å; G32-P41 WeakPolarHBondContact CA-O 3.44Å; G32-L125 CarbonylContact O-C 3.57Å; G32-L125 VanDerWaalsContact O-CA 3.23Å; G32-L125 WeakPolarHBondContact O-CA 3.3Å; G32-L125 WeakPolarHBondContact O-CD2 3.44Å; G32-F126 PolarHBondContact N-O 3.5Å; G32-F126 PolarHBondContact O-N 2.89Å |
| 33 | N | 91.5 | Very high | 78.8 | Confident | 37 Ų | 37 | 48 Ų | 48 | 20% | 0.198 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 123.9 | 168.4 | -173.3 | -17.3 | 0 | 0 | 0 | 109.8 | Q35 F40 P41 V43 A124 | N33-Q35 WeakPolarHBondContact OD1-CB 3.09Å; N33-Q35 PolarHBondContact OD1-N 2.79Å; N33-F40 WeakPolarHBondContact O-CA 3.35Å; N33-P41 HydrophobicContact CB-CG 4.42Å; N33-P41 PolarHBondContact N-O 3Å; N33-V43 HydrophobicContact CB-CG1 3.96Å; N33-A124 PolarHBondContact OD1-O 2.62Å |
| 34 | A | 89.6 | Confident | 80.9 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -82.5 | -24.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V36 V123 A124 F126 | A34-V36 VanDerWaalsContact C-N 3.32Å; A34-V36 PolarHBondContact O-N 2.88Å; A34-V123 HydrophobicContact CB-CG1 3.82Å; A34-A124 PolarHBondContact N-O 2.71Å; A34-F126 HydrophobicContact CB-CD2 3.68Å; A34-F126 HydrophobicContact CB-CE2 3.43Å; A34-F126 VanDerWaalsContact CB-CE2 3.43Å; A34-F126 HydrophobicContact CB-CG 4.49Å; A34-F126 HydrophobicContact CB-CZ 4.06Å |
| 35 | Q | 85.1 | Confident | 82.9 | Confident | 127 Ų | 127 | 43.9 Ų | 43.9 | 59% | 0.593 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -76.2 | -18.7 | -175.4 | -58.5 | -178.3 | -40.2 | 0 | 0 | 113.1 | N33 A37 | N33-Q35 WeakPolarHBondContact OD1-CB 3.09Å; N33-Q35 PolarHBondContact OD1-N 2.79Å; Q35-A37 PolarHBondContact O-N 2.65Å |
| 36 | V | 84.9 | Confident | 84.9 | Confident | 70 Ų | 70 | 41 Ų | 41 | 42% | 0.424 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -92.2 | 93.2 | 176.2 | 179.9 | 0 | 0 | 0 | 0 | 109 | A34 F40 P41 | A34-V36 VanDerWaalsContact C-N 3.32Å; A34-V36 PolarHBondContact O-N 2.88Å; V36-F40 PolarHBondContact O-N 2.71Å; V36-P41 HydrophobicContact CB-CG 4.11Å; V36-P41 HydrophobicContact CG1-CG 4.09Å; V36-P41 HydrophobicContact CG2-CG 4.5Å |
| 37 | A | 75.4 | Confident | 86.5 | Confident | 85 Ų | 85 | 39.4 Ų | 39.4 | 70% | 0.702 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 150.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q35 L39 | Q35-A37 PolarHBondContact O-N 2.65Å; A37-L39 VanDerWaalsContact C-N 3.26Å; A37-L39 PolarHBondContact O-N 3.14Å |
| 38 | G | 77.7 | Confident | 87.3 | Confident | 66 Ų | 66 | 38.7 Ų | 38.7 | 68% | 0.68 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -49.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 39 | L | 78.1 | Confident | 87.5 | Confident | 107 Ų | 107 | 37.7 Ų | 37.7 | 56% | 0.56 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -33.8 | -179.9 | -164.1 | 70.4 | 0 | 0 | 0 | 113.3 | A37 G64 | A37-L39 VanDerWaalsContact C-N 3.26Å; A37-L39 PolarHBondContact O-N 3.14Å; L39-G64 WeakPolarHBondContact O-CA 3.4Å |
| 40 | F | 91 | Very high | 87.6 | Confident | 13 Ų | 13 | 38.3 Ų | 38.3 | 6% | 0.057 | 23% | 0.234 | C | C | . | . | trans | 47.6 | 62.7 | -174.7 | -51.6 | -64.6 | 0 | 0 | 0 | 112.9 | N33 V36 C65 L87 D88 F126 | N33-F40 WeakPolarHBondContact O-CA 3.35Å; V36-F40 PolarHBondContact O-N 2.71Å; F40-C65 VanDerWaalsContact CB-SG 3.54Å; F40-C65 VanDerWaalsContact O-CB 3.31Å; F40-C65 WeakPolarHBondContact O-CB 3.24Å; F40-C65 PolarHBondContact O-N 3.33Å; F40-C65 PolarHBondContact O-SG 3.41Å; F40-C65 VanDerWaalsContact O-SG 3.41Å; F40-L87 HydrophobicContact CD2-CB 3.89Å; F40-L87 HydrophobicContact CD2-CD1 4.29Å; F40-L87 HydrophobicContact CE2-CB 3.8Å; F40-L87 HydrophobicContact CZ-CB 4.48Å; F40-D88 WeakPolarHBondContact CE2-OD1 3.45Å; F40-F126 HydrophobicContact CD1-CD2 4.39Å; F40-F126 AromaticContact CD1-CE2 3.8Å; F40-F126 HydrophobicContact CD1-CE2 3.8Å; F40-F126 HydrophobicContact CE1-CE2 4.06Å; F40-F126 HydrophobicContact CG-CE2 4.2Å | ||
| 41 | P | 93.6 | Very high | 87.4 | Confident | 23 Ų | 23 | 44.2 Ų | 44.2 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -67.2 | 141.7 | -166.5 | 28.5 | -35 | 0 | 0 | 0 | 112.9 | G32 N33 V36 V43 R63 | G32-P41 CarbonylContact C-O 3.51Å; G32-P41 WeakPolarHBondContact CA-O 3.44Å; N33-P41 HydrophobicContact CB-CG 4.42Å; N33-P41 PolarHBondContact N-O 3Å; V36-P41 HydrophobicContact CB-CG 4.11Å; V36-P41 HydrophobicContact CG1-CG 4.09Å; V36-P41 HydrophobicContact CG2-CG 4.5Å; P41-V43 PolarHBondContact O-N 3.32Å; P41-R63 CarbonylContact C-O 3.56Å; P41-R63 WeakPolarHBondContact CA-O 3.46Å |
| 42 | V | 93.5 | Very high | 87.3 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 120.9 | 176 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | V30 L31 Y44 V60 M61 Q62 R63 C65 | V30-V42 HydrophobicContact CB-CG1 4.06Å; V30-V42 HydrophobicContact CB-CG2 4.2Å; V30-V42 HydrophobicContact CG1-CG1 4.43Å; V30-V42 HydrophobicContact CG2-CG2 4.16Å; L31-V42 CarbonylContact O-C 3.53Å; L31-V42 WeakPolarHBondContact O-CA 3.34Å; V42-Y44 WeakPolarHBondContact CG1-O 3.41Å; V42-V60 HydrophobicContact CG1-CG1 4.17Å; V42-M61 HydrophobicContact CG1-SD 4.49Å; V42-Q62 PolarHBondContact O-N 3.11Å; V42-R63 WeakPolarHBondContact CG2-O 3.45Å; V42-R63 PolarHBondContact N-O 2.86Å; V42-C65 HydrophobicContact CG2-CB 4.01Å |
| 43 | V | 91.1 | Very high | 87.2 | Confident | 68 Ų | 68 | 44.9 Ų | 44.9 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | -11.3 | 178.1 | -65 | 0 | 0 | 0 | 0 | 113.2 | L31 N33 P41 M61 L125 | L31-V43 HydrophobicContact CB-CG2 4.25Å; L31-V43 WeakPolarHBondContact O-CG2 3.3Å; L31-V43 PolarHBondContact O-N 3.35Å; N33-V43 HydrophobicContact CB-CG1 3.96Å; P41-V43 PolarHBondContact O-N 3.32Å; V43-M61 VanDerWaalsContact C-SD 3.52Å; V43-M61 WeakPolarHBondContact O-CE 3.35Å; V43-L125 HydrophobicContact CG2-CD2 3.97Å |
| 44 | Y | 89.1 | Confident | 87.1 | Confident | 70 Ų | 70 | 45.3 Ų | 45.3 | 28% | 0.275 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 143.8 | 170.8 | 172.9 | -89.7 | 0 | 0 | 0 | 110.9 | F29 V30 L31 V42 | F29-Y44 AromaticContact CE2-CD1 3.93Å; F29-Y44 HydrophobicContact CE2-CD1 3.93Å; F29-Y44 AromaticContact CE2-CE1 3.64Å; F29-Y44 HydrophobicContact CE2-CE1 3.64Å; F29-Y44 AromaticContact CZ-CE1 3.81Å; F29-Y44 HydrophobicContact CZ-CE1 3.81Å; V30-Y44 CarbonylContact C-O 3.46Å; V30-Y44 WeakPolarHBondContact CA-O 3.42Å; L31-Y44 HydrophobicContact CD1-CD1 4.04Å; L31-Y44 HydrophobicContact CD1-CG 4.39Å; L31-Y44 HydrophobicContact CG-CD1 4.42Å; L31-Y44 PolarHBondContact N-O 3.34Å; L31-Y44 PolarHBondContact O-N 3.09Å; V42-Y44 WeakPolarHBondContact CG1-O 3.41Å |
| 45 | C | 89.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140.7 | 164.7 | 61 | 0 | 0 | 0 | 0 | 110.8 | V30 F49 R57 V60 | V30-C45 HydrophobicContact CG1-CB 3.76Å; C45-F49 HydrophobicContact CB-CD1 4.14Å; C45-R57 PolarHBondContact O-NE 3.23Å; C45-R57 PolarHBondContact O-NH2 2.7Å; C45-V60 HydrophobicContact CB-CG1 3.79Å |
| 46 | S | 87.7 | Confident | 87.6 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | trans | -71.7 | 151.4 | 174 | 54.2 | 0 | 0 | 0 | 0 | 111.8 | S27 F29 G48 F49 C50 | S27-S46 PolarHBondContact O-OG 3.3Å; F29-S46 PolarHBondContact N-OG 3.3Å; F29-S46 PolarHBondContact O-N 3.22Å; F29-S46 PolarHBondContact O-OG 2.81Å; S46-G48 VanDerWaalsContact C-N 3.27Å; S46-G48 PolarHBondContact O-N 2.9Å; S46-F49 WeakPolarHBondContact O-CB 3.16Å; S46-F49 PolarHBondContact O-N 2.87Å; S46-F49 PolarHBondContact OG-N 3.34Å; S46-C50 PolarHBondContact O-N 3.14Å | ||
| 47 | D | 85.5 | Confident | 87.9 | Confident | 90 Ų | 90 | 44.5 Ų | 44.5 | 48% | 0.481 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.5 | -34.2 | 178.7 | -54.6 | -75.6 | 0 | 0 | 0 | 111.9 | F49 C50 D51 R57 | D47-F49 PolarHBondContact O-N 2.83Å; D47-C50 WeakPolarHBondContact O-CA 3.49Å; D47-C50 VanDerWaalsContact O-CB 3.29Å; D47-C50 WeakPolarHBondContact O-CB 3.41Å; D47-C50 PolarHBondContact O-N 3.11Å; D47-D51 PolarHBondContact O-N 2.93Å; D47-R57 IonicContact OD1-CZ 2.65Å; D47-R57 VanDerWaalsContact OD1-CZ 3.23Å; D47-R57 IonicContact OD1-NH1 2.7Å; D47-R57 PolarHBondContact OD1-NH1 3.16Å; D47-R57 IonicContact OD1-NH2 2.67Å; D47-R57 PolarHBondContact OD1-NH2 2.66Å; D47-R57 IonicContact OD2-NH2 3.12Å; D47-R57 PolarHBondContact OD2-NH2 3.16Å |
| 48 | G | 84.9 | Confident | 88.6 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 14% | 0.144 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.6 | -26 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N28 S46 L52 | N28-G48 PolarHBondContact OD1-O 2.83Å; S46-G48 VanDerWaalsContact C-N 3.27Å; S46-G48 PolarHBondContact O-N 2.9Å; G48-L52 VanDerWaalsContact O-CB 3.24Å; G48-L52 WeakPolarHBondContact O-CB 3.48Å; G48-L52 PolarHBondContact O-N 3.43Å |
| 49 | F | 88.4 | Confident | 89.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.8 | -38.9 | 170.9 | -179.2 | -90.3 | 0 | 0 | 0 | 111.8 | N28 V30 C45 S46 D47 T53 V60 F69 L70 H130 | N28-F49 HydrophobicContact CB-CB 4.35Å; V30-F49 HydrophobicContact CG1-CD1 3.75Å; V30-F49 HydrophobicContact CG1-CD2 3.86Å; V30-F49 HydrophobicContact CG1-CE1 3.75Å; V30-F49 HydrophobicContact CG1-CE2 3.85Å; V30-F49 HydrophobicContact CG1-CG 3.8Å; V30-F49 HydrophobicContact CG1-CZ 3.78Å; C45-F49 HydrophobicContact CB-CD1 4.14Å; S46-F49 WeakPolarHBondContact O-CB 3.16Å; S46-F49 PolarHBondContact O-N 2.87Å; S46-F49 PolarHBondContact OG-N 3.34Å; D47-F49 PolarHBondContact O-N 2.83Å; F49-T53 HydrophobicContact CD1-CG2 4.42Å; F49-T53 HydrophobicContact CD2-CG2 4.18Å; F49-T53 HydrophobicContact CE1-CG2 4.13Å; F49-T53 HydrophobicContact CE2-CG2 3.88Å; F49-T53 HydrophobicContact CG-CG2 4.45Å; F49-T53 HydrophobicContact CZ-CG2 3.87Å; F49-T53 WeakPolarHBondContact O-CB 3.49Å; F49-T53 WeakPolarHBondContact O-CG2 3.41Å; F49-T53 PolarHBondContact O-N 3.01Å; F49-T53 VanDerWaalsContact O-N 3.09Å; F49-T53 PolarHBondContact O-OG1 2.94Å; F49-V60 HydrophobicContact CD1-CG1 4.16Å; F49-V60 HydrophobicContact CD1-CG2 4.36Å; F49-V60 HydrophobicContact CE1-CB 4.41Å; F49-V60 HydrophobicContact CE1-CG1 3.64Å; F49-V60 HydrophobicContact CE1-CG2 3.82Å; F49-F69 HydrophobicContact CE1-CE2 4.45Å; F49-F69 HydrophobicContact CE1-CZ 4.22Å; F49-F69 HydrophobicContact CZ-CE2 4.38Å; F49-F69 HydrophobicContact CZ-CZ 4.1Å; F49-L70 HydrophobicContact CE2-CD1 4.1Å; F49-L70 HydrophobicContact CZ-CD1 3.9Å; F49-H130 HydrophobicContact CD2-CB 4.33Å; F49-H130 AromaticContact CD2-ND1 3.9Å; F49-H130 HydrophobicContact CE2-CB 4.47Å; F49-H130 AromaticContact CE2-CD2 3.91Å; F49-H130 AromaticContact CE2-CE1 3.65Å; F49-H130 AromaticContact CE2-CG 3.79Å; F49-H130 AromaticContact CE2-ND1 3.63Å; F49-H130 AromaticContact CE2-NE2 3.83Å |
| 50 | C | 89.9 | Confident | 90.1 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 13% | 0.128 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -48.4 | 171.6 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | S46 D47 L52 T53 G54 F55 | S46-C50 PolarHBondContact O-N 3.14Å; D47-C50 WeakPolarHBondContact O-CA 3.49Å; D47-C50 VanDerWaalsContact O-CB 3.29Å; D47-C50 WeakPolarHBondContact O-CB 3.41Å; D47-C50 PolarHBondContact O-N 3.11Å; C50-L52 PolarHBondContact O-N 3.09Å; C50-T53 PolarHBondContact O-N 3.47Å; C50-G54 WeakPolarHBondContact O-CA 3.24Å; C50-G54 PolarHBondContact O-N 3.43Å; C50-F55 WeakPolarHBondContact CA-O 3.47Å; C50-F55 WeakPolarHBondContact CB-O 3.42Å |
| 51 | D | 87.8 | Confident | 90.1 | Very high | 124 Ų | 124 | 42 Ų | 42 | 66% | 0.663 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.1 | -43 | 178.1 | -69.3 | -20.3 | 0 | 0 | 0 | 113.1 | D47 | D47-D51 PolarHBondContact O-N 2.93Å |
| 52 | L | 86.8 | Confident | 89.8 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.4 | -45 | 179.8 | 174 | 62.5 | 0 | 0 | 0 | 111.7 | N28 G48 C50 R101 F107 H130 D132 | N28-L52 HydrophobicContact CB-CB 4.41Å; N28-L52 HydrophobicContact CB-CD2 3.9Å; G48-L52 VanDerWaalsContact O-CB 3.24Å; G48-L52 WeakPolarHBondContact O-CB 3.48Å; G48-L52 PolarHBondContact O-N 3.43Å; C50-L52 PolarHBondContact O-N 3.09Å; L52-R101 VanDerWaalsContact O-CD 3.3Å; L52-R101 WeakPolarHBondContact O-CD 3.4Å; L52-R101 PolarHBondContact O-NE 2.96Å; L52-R101 PolarHBondContact O-NH1 2.92Å; L52-F107 HydrophobicContact CD1-CD2 4.29Å; L52-F107 HydrophobicContact CD1-CE2 3.94Å; L52-F107 HydrophobicContact CD1-CZ 4.35Å; L52-F107 HydrophobicContact CD2-CE2 4.03Å; L52-F107 HydrophobicContact CD2-CZ 4.27Å; L52-F107 HydrophobicContact CG-CE2 4.09Å; L52-F107 HydrophobicContact CG-CZ 4.14Å; L52-H130 HydrophobicContact CD2-CB 4.1Å; L52-D132 HydrophobicContact CD1-CB 4.07Å |
| 53 | T | 90.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -94.8 | -21.5 | -169.2 | 65.2 | 0 | 0 | 0 | 0 | 113.6 | F49 C50 F55 L70 R101 K102 | F49-T53 HydrophobicContact CD1-CG2 4.42Å; F49-T53 HydrophobicContact CD2-CG2 4.18Å; F49-T53 HydrophobicContact CE1-CG2 4.13Å; F49-T53 HydrophobicContact CE2-CG2 3.88Å; F49-T53 HydrophobicContact CG-CG2 4.45Å; F49-T53 HydrophobicContact CZ-CG2 3.87Å; F49-T53 WeakPolarHBondContact O-CB 3.49Å; F49-T53 WeakPolarHBondContact O-CG2 3.41Å; F49-T53 PolarHBondContact O-N 3.01Å; F49-T53 VanDerWaalsContact O-N 3.09Å; F49-T53 PolarHBondContact O-OG1 2.94Å; C50-T53 PolarHBondContact O-N 3.47Å; T53-F55 VanDerWaalsContact C-N 3.27Å; T53-F55 PolarHBondContact O-N 2.89Å; T53-F55 PolarHBondContact OG1-N 3.05Å; T53-L70 HydrophobicContact CG2-CD1 3.79Å; T53-L70 HydrophobicContact CG2-CD2 3.85Å; T53-R101 CarbonylContact O-C 3.58Å; T53-R101 VanDerWaalsContact O-CA 3.3Å; T53-R101 WeakPolarHBondContact O-CA 3.35Å; T53-R101 WeakPolarHBondContact O-CB 3.32Å; T53-K102 PolarHBondContact O-N 2.8Å |
| 54 | G | 88.9 | Confident | 89.7 | Confident | 46 Ų | 46 | 52.3 Ų | 52.3 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | trans | 77.2 | 3.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | C50 K102 | C50-G54 WeakPolarHBondContact O-CA 3.24Å; C50-G54 PolarHBondContact O-N 3.43Å; G54-K102 WeakPolarHBondContact O-CD 3.34Å | ||
| 55 | F | 93.1 | Very high | 89.7 | Confident | 36 Ų | 36 | 49 Ų | 49 | 16% | 0.158 | 27% | 0.269 | C | S | . | . | trans | -87.7 | 144.2 | 174.2 | -71.2 | -92.2 | 0 | 0 | 0 | 111.1 | C50 T53 E59 V60 F69 L70 K102 | C50-F55 WeakPolarHBondContact CA-O 3.47Å; C50-F55 WeakPolarHBondContact CB-O 3.42Å; T53-F55 VanDerWaalsContact C-N 3.27Å; T53-F55 PolarHBondContact O-N 2.89Å; T53-F55 PolarHBondContact OG1-N 3.05Å; F55-E59 HydrophobicContact CD1-CB 4.21Å; F55-V60 HydrophobicContact CB-CG2 3.65Å; F55-F69 HydrophobicContact CD1-CD2 4.42Å; F55-F69 HydrophobicContact CD2-CD2 4.18Å; F55-F69 HydrophobicContact CD2-CE2 4.2Å; F55-F69 HydrophobicContact CE1-CD2 4.26Å; F55-F69 HydrophobicContact CE2-CD2 4.02Å; F55-F69 HydrophobicContact CE2-CE2 4.45Å; F55-F69 HydrophobicContact CG-CD2 4.38Å; F55-F69 HydrophobicContact CG-CE2 4.34Å; F55-F69 HydrophobicContact CZ-CD2 4.05Å; F55-L70 HydrophobicContact CD2-CD2 3.9Å; F55-L70 HydrophobicContact CE2-CD2 3.64Å; F55-K102 HydrophobicContact CD1-CB 4.45Å; F55-K102 HydrophobicContact CD1-CD 4.08Å; F55-K102 HydrophobicContact CD1-CG 4.26Å; F55-K102 HydrophobicContact CD2-CB 3.92Å; F55-K102 HydrophobicContact CE1-CB 4.32Å; F55-K102 HydrophobicContact CE1-CD 4.33Å; F55-K102 HydrophobicContact CE1-CG 4.06Å; F55-K102 HydrophobicContact CE2-CB 3.77Å; F55-K102 HydrophobicContact CE2-CG 4.4Å; F55-K102 HydrophobicContact CG-CB 4.27Å; F55-K102 HydrophobicContact CG-CD 4.34Å; F55-K102 HydrophobicContact CZ-CB 3.99Å; F55-K102 HydrophobicContact CZ-CG 4.14Å | ||
| 56 | S | 92.3 | Very high | 89.7 | Confident | 55 Ų | 55 | 49.7 Ų | 49.7 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | trans | -76.7 | 154.8 | 172.6 | 67.1 | 0 | 0 | 0 | 0 | 111.2 | A58 E59 V60 | S56-A58 PolarHBondContact O-N 2.8Å; S56-A58 VanDerWaalsContact O-N 3.16Å; S56-E59 WeakPolarHBondContact CB-OE2 3.29Å; S56-E59 PolarHBondContact N-OE2 2.98Å; S56-E59 PolarHBondContact O-N 2.87Å; S56-E59 VanDerWaalsContact OG-CD 3.28Å; S56-E59 VanDerWaalsContact OG-CG 3.3Å; S56-E59 WeakPolarHBondContact OG-CG 3.42Å; S56-E59 PolarHBondContact OG-OE2 3.35Å; S56-V60 WeakPolarHBondContact O-CG2 3.44Å; S56-V60 PolarHBondContact O-N 2.75Å | ||
| 57 | R | 91.1 | Very high | 89.9 | Confident | 94 Ų | 94 | 49.4 Ų | 49.4 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -51.6 | -39.6 | 177.1 | 176.3 | 167.3 | -73.4 | 120.6 | -4.5 | 112.6 | C45 D47 E59 V60 M61 | C45-R57 PolarHBondContact O-NE 3.23Å; C45-R57 PolarHBondContact O-NH2 2.7Å; D47-R57 IonicContact OD1-CZ 2.65Å; D47-R57 VanDerWaalsContact OD1-CZ 3.23Å; D47-R57 IonicContact OD1-NH1 2.7Å; D47-R57 PolarHBondContact OD1-NH1 3.16Å; D47-R57 IonicContact OD1-NH2 2.67Å; D47-R57 PolarHBondContact OD1-NH2 2.66Å; D47-R57 IonicContact OD2-NH2 3.12Å; D47-R57 PolarHBondContact OD2-NH2 3.16Å; R57-E59 VanDerWaalsContact C-N 3.34Å; R57-E59 PolarHBondContact O-N 3.32Å; R57-V60 PolarHBondContact O-N 3.42Å; R57-M61 HydrophobicContact CG-CG 4.14Å; R57-M61 WeakPolarHBondContact O-CG 3.39Å; R57-M61 PolarHBondContact O-N 3.43Å |
| 58 | A | 91.1 | Very high | 90.1 | Very high | 87 Ų | 87 | 48.4 Ų | 48.4 | 72% | 0.719 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.4 | -30.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | S56 | S56-A58 PolarHBondContact O-N 2.8Å; S56-A58 VanDerWaalsContact O-N 3.16Å |
| 59 | E | 92.8 | Very high | 90.4 | Very high | 64 Ų | 64 | 49.9 Ų | 49.9 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -79.9 | -23.2 | 179.2 | -67.6 | 166.4 | 122.7 | 0 | 0 | 113.1 | F55 S56 R57 R63 K102 | F55-E59 HydrophobicContact CD1-CB 4.21Å; S56-E59 WeakPolarHBondContact CB-OE2 3.29Å; S56-E59 PolarHBondContact N-OE2 2.98Å; S56-E59 PolarHBondContact O-N 2.87Å; S56-E59 VanDerWaalsContact OG-CD 3.28Å; S56-E59 VanDerWaalsContact OG-CG 3.3Å; S56-E59 WeakPolarHBondContact OG-CG 3.42Å; S56-E59 PolarHBondContact OG-OE2 3.35Å; R57-E59 VanDerWaalsContact C-N 3.34Å; R57-E59 PolarHBondContact O-N 3.32Å; E59-R63 WeakPolarHBondContact O-CG 3.21Å; E59-R63 PolarHBondContact O-NE 2.97Å; E59-R63 VanDerWaalsContact O-NE 3.16Å; E59-K102 WeakPolarHBondContact OE1-CE 3.32Å; E59-K102 IonicContact OE1-NZ 3.93Å; E59-K102 PolarHBondContact OE1-NZ 2.81Å; E59-K102 IonicContact OE2-NZ 3.14Å; E59-K102 PolarHBondContact OE2-NZ 2.88Å |
| 60 | V | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -90.9 | -37.7 | -176.7 | 173.7 | 0 | 0 | 0 | 0 | 112.2 | V30 V42 C45 F49 F55 S56 R57 R63 F69 | V30-V60 HydrophobicContact CG1-CG1 4.23Å; V42-V60 HydrophobicContact CG1-CG1 4.17Å; C45-V60 HydrophobicContact CB-CG1 3.79Å; F49-V60 HydrophobicContact CD1-CG1 4.16Å; F49-V60 HydrophobicContact CD1-CG2 4.36Å; F49-V60 HydrophobicContact CE1-CB 4.41Å; F49-V60 HydrophobicContact CE1-CG1 3.64Å; F49-V60 HydrophobicContact CE1-CG2 3.82Å; F55-V60 HydrophobicContact CB-CG2 3.65Å; S56-V60 WeakPolarHBondContact O-CG2 3.44Å; S56-V60 PolarHBondContact O-N 2.75Å; R57-V60 PolarHBondContact O-N 3.42Å; V60-R63 WeakPolarHBondContact O-CB 3.35Å; V60-R63 WeakPolarHBondContact O-CG 3.3Å; V60-R63 PolarHBondContact O-N 3.06Å; V60-F69 HydrophobicContact CB-CZ 4.45Å; V60-F69 HydrophobicContact CG1-CZ 4.13Å; V60-F69 HydrophobicContact CG2-CE2 4.16Å; V60-F69 HydrophobicContact CG2-CZ 4.11Å |
| 61 | M | 91.2 | Very high | 90.8 | Very high | 67 Ų | 67 | 50.4 Ų | 50.4 | 33% | 0.33 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 149 | 176.6 | -70 | -75.8 | -69.6 | 0 | 0 | 111.2 | V42 V43 R57 R63 | V42-M61 HydrophobicContact CG1-SD 4.49Å; V43-M61 VanDerWaalsContact C-SD 3.52Å; V43-M61 WeakPolarHBondContact O-CE 3.35Å; R57-M61 HydrophobicContact CG-CG 4.14Å; R57-M61 WeakPolarHBondContact O-CG 3.39Å; R57-M61 PolarHBondContact O-N 3.43Å; M61-R63 PolarHBondContact O-N 2.84Å |
| 62 | Q | 88.8 | Confident | 90.9 | Very high | 160 Ų | 160 | 45.7 Ų | 45.7 | 75% | 0.748 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | -10.6 | -176.2 | -56.1 | 179.9 | -9.5 | 0 | 0 | 116.4 | V42 | V42-Q62 PolarHBondContact O-N 3.11Š|
| 63 | R | 91.1 | Very high | 90.9 | Very high | 139 Ų | 139 | 50.6 Ų | 50.6 | 53% | 0.525 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -66.9 | 154.8 | 166.7 | -55.7 | -62.6 | -172.5 | 166.6 | -1.3 | 110.3 | P41 V42 E59 V60 M61 F69 | P41-R63 CarbonylContact C-O 3.56Å; P41-R63 WeakPolarHBondContact CA-O 3.46Å; V42-R63 WeakPolarHBondContact CG2-O 3.45Å; V42-R63 PolarHBondContact N-O 2.86Å; E59-R63 WeakPolarHBondContact O-CG 3.21Å; E59-R63 PolarHBondContact O-NE 2.97Å; E59-R63 VanDerWaalsContact O-NE 3.16Å; V60-R63 WeakPolarHBondContact O-CB 3.35Å; V60-R63 WeakPolarHBondContact O-CG 3.3Å; V60-R63 PolarHBondContact O-N 3.06Å; M61-R63 PolarHBondContact O-N 2.84Å; R63-F69 HydrophobicContact CB-CD1 3.85Å; R63-F69 HydrophobicContact CB-CE1 3.69Å; R63-F69 HydrophobicContact CG-CD1 3.95Å; R63-F69 HydrophobicContact CG-CE1 4.01Å |
| 64 | G | 90.7 | Very high | 90.9 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -67 | 140.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L39 A66 C67 | L39-G64 WeakPolarHBondContact O-CA 3.4Å; G64-A66 PolarHBondContact O-N 2.89Å; G64-A66 VanDerWaalsContact O-N 3.13Å; G64-C67 PolarHBondContact O-N 3Å |
| 65 | C | 89.7 | Confident | 90.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -10.6 | -172.9 | 70.7 | 0 | 0 | 0 | 0 | 115.2 | F40 V42 C67 V128 | F40-C65 VanDerWaalsContact CB-SG 3.54Å; F40-C65 VanDerWaalsContact O-CB 3.31Å; F40-C65 WeakPolarHBondContact O-CB 3.24Å; F40-C65 PolarHBondContact O-N 3.33Å; F40-C65 PolarHBondContact O-SG 3.41Å; F40-C65 VanDerWaalsContact O-SG 3.41Å; V42-C65 HydrophobicContact CG2-CB 4.01Å; C65-C67 PolarHBondContact O-N 2.95Å; C65-V128 HydrophobicContact CB-CG2 4.34Å |
| 66 | A | 89.4 | Confident | 90.8 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 12% | 0.124 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -3.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G64 S68 Y71 I83 L87 | G64-A66 PolarHBondContact O-N 2.89Å; G64-A66 VanDerWaalsContact O-N 3.13Å; A66-S68 VanDerWaalsContact C-N 3.34Å; A66-S68 PolarHBondContact O-N 3.19Å; A66-Y71 PolarHBondContact O-OH 3.37Å; A66-Y71 VanDerWaalsContact O-OH 3.13Å; A66-I83 HydrophobicContact CB-CG2 3.9Å; A66-L87 HydrophobicContact CB-CD1 3.95Å |
| 67 | C | 90.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.007 | 30% | 0.304 | C | S | . | . | trans | 52 | 45 | 175.7 | -64.1 | 0 | 0 | 0 | 0 | 114 | G64 C65 F69 L70 | G64-C67 PolarHBondContact O-N 3Å; C65-C67 PolarHBondContact O-N 2.95Å; C67-F69 HydrophobicContact CB-CE1 4.14Å; C67-F69 HydrophobicContact CB-CZ 4.2Å; C67-F69 PolarHBondContact O-N 3.34Å; C67-L70 HydrophobicContact CB-CD1 3.9Å; C67-L70 HydrophobicContact CB-CG 4.18Å; C67-L70 WeakPolarHBondContact O-CB 3.33Å; C67-L70 PolarHBondContact O-N 3.46Å | ||
| 68 | S | 89.4 | Confident | 90.6 | Very high | 68 Ų | 68 | 56.3 Ų | 56.3 | 48% | 0.476 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -61.2 | -18.3 | -175.3 | 54.5 | 0 | 0 | 0 | 0 | 115.5 | A66 L70 Y71 | A66-S68 VanDerWaalsContact C-N 3.34Å; A66-S68 PolarHBondContact O-N 3.19Å; S68-L70 PolarHBondContact O-N 2.86Å; S68-Y71 VanDerWaalsContact CA-CD2 3.47Å; S68-Y71 WeakPolarHBondContact O-CB 3.39Å; S68-Y71 PolarHBondContact O-N 3.2Å |
| 69 | F | 91.9 | Very high | 90.5 | Very high | 46 Ų | 46 | 53.1 Ų | 53.1 | 20% | 0.202 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -73.8 | -8.3 | 172.4 | 59.5 | -90.1 | 0 | 0 | 0 | 113.8 | F49 F55 V60 R63 C67 | F49-F69 HydrophobicContact CE1-CE2 4.45Å; F49-F69 HydrophobicContact CE1-CZ 4.22Å; F49-F69 HydrophobicContact CZ-CE2 4.38Å; F49-F69 HydrophobicContact CZ-CZ 4.1Å; F55-F69 HydrophobicContact CD1-CD2 4.42Å; F55-F69 HydrophobicContact CD2-CD2 4.18Å; F55-F69 HydrophobicContact CD2-CE2 4.2Å; F55-F69 HydrophobicContact CE1-CD2 4.26Å; F55-F69 HydrophobicContact CE2-CD2 4.02Å; F55-F69 HydrophobicContact CE2-CE2 4.45Å; F55-F69 HydrophobicContact CG-CD2 4.38Å; F55-F69 HydrophobicContact CG-CE2 4.34Å; F55-F69 HydrophobicContact CZ-CD2 4.05Å; V60-F69 HydrophobicContact CB-CZ 4.45Å; V60-F69 HydrophobicContact CG1-CZ 4.13Å; V60-F69 HydrophobicContact CG2-CE2 4.16Å; V60-F69 HydrophobicContact CG2-CZ 4.11Å; R63-F69 HydrophobicContact CB-CD1 3.85Å; R63-F69 HydrophobicContact CB-CE1 3.69Å; R63-F69 HydrophobicContact CG-CD1 3.95Å; R63-F69 HydrophobicContact CG-CE1 4.01Å; C67-F69 HydrophobicContact CB-CE1 4.14Å; C67-F69 HydrophobicContact CB-CZ 4.2Å; C67-F69 PolarHBondContact O-N 3.34Å |
| 70 | L | 93.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -97 | -0.1 | 171.4 | -55.1 | -178 | 0 | 0 | 0 | 112.7 | F49 T53 F55 C67 S68 L99 Y100 | F49-L70 HydrophobicContact CE2-CD1 4.1Å; F49-L70 HydrophobicContact CZ-CD1 3.9Å; T53-L70 HydrophobicContact CG2-CD1 3.79Å; T53-L70 HydrophobicContact CG2-CD2 3.85Å; F55-L70 HydrophobicContact CD2-CD2 3.9Å; F55-L70 HydrophobicContact CE2-CD2 3.64Å; C67-L70 HydrophobicContact CB-CD1 3.9Å; C67-L70 HydrophobicContact CB-CG 4.18Å; C67-L70 WeakPolarHBondContact O-CB 3.33Å; C67-L70 PolarHBondContact O-N 3.46Å; S68-L70 PolarHBondContact O-N 2.86Å; L70-L99 HydrophobicContact CB-CB 4.22Å; L70-L99 HydrophobicContact CB-CD1 4.35Å; L70-L99 HydrophobicContact CB-CD2 4.09Å; L70-L99 HydrophobicContact CB-CG 4.45Å; L70-L99 HydrophobicContact CD1-CD1 4.09Å; L70-L99 CarbonylContact O-C 3.46Å; L70-L99 WeakPolarHBondContact O-CA 3.3Å; L70-Y100 WeakPolarHBondContact CD2-O 3.36Å; L70-Y100 PolarHBondContact O-N 2.82Å |
| 71 | Y | 93 | Very high | 90.3 | Very high | 30 Ų | 30 | 58.2 Ų | 58.2 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | trans | -81 | 147.7 | 178.2 | -59.8 | -21.8 | 0 | 0 | 0 | 111.2 | A66 S68 T75 R80 L99 | A66-Y71 PolarHBondContact O-OH 3.37Å; A66-Y71 VanDerWaalsContact O-OH 3.13Å; S68-Y71 VanDerWaalsContact CA-CD2 3.47Å; S68-Y71 WeakPolarHBondContact O-CB 3.39Å; S68-Y71 PolarHBondContact O-N 3.2Å; Y71-T75 HydrophobicContact CD1-CG2 3.72Å; Y71-T75 HydrophobicContact CE1-CG2 4.29Å; Y71-T75 HydrophobicContact CG-CG2 4.17Å; Y71-R80 HydrophobicContact CD1-CG 4.43Å; Y71-R80 HydrophobicContact CD2-CG 4.17Å; Y71-R80 HydrophobicContact CE1-CG 4.14Å; Y71-R80 HydrophobicContact CE2-CB 4.27Å; Y71-R80 HydrophobicContact CE2-CG 3.85Å; Y71-R80 HydrophobicContact CG-CG 4.43Å; Y71-L99 HydrophobicContact CD1-CD2 3.83Å; Y71-L99 HydrophobicContact CE1-CD2 4.15Å | ||
| 72 | G | 90.4 | Very high | 90.2 | Very high | 24 Ų | 24 | 58.9 Ų | 58.9 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | trans | -153.3 | -164.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D74 T75 Y100 | G72-D74 PolarHBondContact O-N 3.13Å; G72-T75 PolarHBondContact N-OG1 2.93Å; G72-T75 WeakPolarHBondContact O-CB 3.32Å; G72-T75 PolarHBondContact O-N 3.19Å; G72-T75 VanDerWaalsContact O-N 3.08Å; G72-T75 PolarHBondContact O-OG1 3.13Å; G72-Y100 VanDerWaalsContact CA-CD2 3.49Å | ||
| 73 | P | 88.2 | Confident | 90.3 | Very high | 119 Ų | 119 | 51.3 Ų | 51.3 | 77% | 0.773 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -36.8 | -167.9 | 20.7 | -31.8 | 0 | 0 | 0 | 114.6 | T75 Y100 | P73-T75 VanDerWaalsContact C-N 3.28Å; P73-T75 PolarHBondContact O-N 3.27Å; P73-Y100 WeakPolarHBondContact CD-OH 3.35Å; P73-Y100 WeakPolarHBondContact CG-OH 3.31Å |
| 74 | D | 88.7 | Confident | 90.2 | Very high | 99 Ų | 99 | 50.4 Ų | 50.4 | 53% | 0.529 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 2.7 | -179.5 | -49.8 | -52.7 | 0 | 0 | 0 | 112.9 | G72 S76 I98 Y100 | G72-D74 PolarHBondContact O-N 3.13Å; D74-S76 PolarHBondContact O-N 2.88Å; D74-I98 HydrophobicContact CB-CB 4.31Å; D74-I98 HydrophobicContact CB-CD1 3.81Å; D74-I98 HydrophobicContact CB-CG2 4.15Å; D74-Y100 WeakPolarHBondContact CB-OH 3.34Å; D74-Y100 PolarHBondContact N-OH 2.87Å; D74-Y100 PolarHBondContact OD2-OH 3.14Å |
| 75 | T | 90.5 | Very high | 90.3 | Very high | 6 Ų | 6 | 55.7 Ų | 55.7 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -83 | 100.9 | -179.3 | -51.7 | 0 | 0 | 0 | 0 | 111.3 | Y71 G72 P73 E77 R80 L97 I98 L99 | Y71-T75 HydrophobicContact CD1-CG2 3.72Å; Y71-T75 HydrophobicContact CE1-CG2 4.29Å; Y71-T75 HydrophobicContact CG-CG2 4.17Å; G72-T75 PolarHBondContact N-OG1 2.93Å; G72-T75 WeakPolarHBondContact O-CB 3.32Å; G72-T75 PolarHBondContact O-N 3.19Å; G72-T75 VanDerWaalsContact O-N 3.08Å; G72-T75 PolarHBondContact O-OG1 3.13Å; P73-T75 VanDerWaalsContact C-N 3.28Å; P73-T75 PolarHBondContact O-N 3.27Å; T75-E77 PolarHBondContact O-N 3.34Å; T75-R80 HydrophobicContact CG2-CG 3.9Å; T75-R80 WeakPolarHBondContact O-CD 3.42Å; T75-L97 HydrophobicContact CG2-CD1 4.04Å; T75-I98 WeakPolarHBondContact CB-O 3.44Å; T75-I98 WeakPolarHBondContact CG2-O 3.24Å; T75-I98 PolarHBondContact OG1-O 3.38Å; T75-L99 HydrophobicContact CG2-CD2 4.44Å |
| 76 | S | 91.1 | Very high | 90.3 | Very high | 61 Ų | 61 | 56 Ų | 56 | 43% | 0.427 | 29% | 0.293 | S | S | . | . | trans | -47.6 | 118.2 | -178.3 | -179 | 0 | 0 | 0 | 0 | 114.8 | D74 L78 V79 R80 | D74-S76 PolarHBondContact O-N 2.88Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 3.33Å; S76-V79 PolarHBondContact O-N 3.01Å; S76-V79 VanDerWaalsContact O-N 3.09Å; S76-R80 WeakPolarHBondContact O-CG 3.34Å; S76-R80 PolarHBondContact O-N 3.38Å; S76-R80 VanDerWaalsContact O-N 3.11Å | ||
| 77 | E | 88.9 | Confident | 90.3 | Very high | 76 Ų | 76 | 55.5 Ų | 55.5 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.7 | -35.2 | -179.1 | -173 | 57.5 | -145 | 0 | 0 | 113 | T75 V79 R80 Q81 | T75-E77 PolarHBondContact O-N 3.34Å; E77-V79 VanDerWaalsContact C-N 3.26Å; E77-V79 PolarHBondContact O-N 3.49Å; E77-R80 WeakPolarHBondContact O-CB 3.05Å; E77-R80 PolarHBondContact O-N 2.77Å; E77-R80 VanDerWaalsContact O-N 3.14Å; E77-R80 WeakPolarHBondContact OE2-CD 3.36Å; E77-R80 IonicContact OE2-CZ 2.65Å; E77-R80 IonicContact OE2-NE 3.54Å; E77-R80 IonicContact OE2-NH1 2.64Å; E77-R80 PolarHBondContact OE2-NH1 2.9Å; E77-R80 IonicContact OE2-NH2 2.98Å; E77-Q81 WeakPolarHBondContact O-CG 3.38Å; E77-Q81 PolarHBondContact O-N 3.01Å |
| 78 | L | 90.1 | Very high | 90.3 | Very high | 109 Ų | 109 | 59.8 Ų | 59.8 | 57% | 0.571 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -58.3 | -40.8 | 175.1 | -178.5 | 64.8 | 0 | 0 | 0 | 111.4 | S76 Q82 | S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 3.33Å; L78-Q82 VanDerWaalsContact O-CG 3.24Å; L78-Q82 WeakPolarHBondContact O-CG 3.37Å; L78-Q82 PolarHBondContact O-N 3.23Å |
| 79 | V | 87.6 | Confident | 90.3 | Very high | 20 Ų | 20 | 60.6 Ų | 60.6 | 12% | 0.121 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72 | -38.9 | 177.2 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | S76 E77 Q81 Q82 I83 A95 L97 | S76-V79 PolarHBondContact O-N 3.01Å; S76-V79 VanDerWaalsContact O-N 3.09Å; E77-V79 VanDerWaalsContact C-N 3.26Å; E77-V79 PolarHBondContact O-N 3.49Å; V79-Q81 VanDerWaalsContact C-N 3.29Å; V79-Q81 PolarHBondContact O-N 2.77Å; V79-Q82 PolarHBondContact O-N 3.04Å; V79-I83 HydrophobicContact CG1-CD1 4Å; V79-I83 HydrophobicContact CG1-CG1 4.34Å; V79-I83 WeakPolarHBondContact O-CG1 3.41Å; V79-I83 PolarHBondContact O-N 3.31Å; V79-A95 HydrophobicContact CG1-CB 3.59Å; V79-L97 HydrophobicContact CG1-CB 4.23Å; V79-L97 HydrophobicContact CG1-CD1 4.11Å; V79-L97 HydrophobicContact CG1-CD2 4.49Å |
| 80 | R | 90.4 | Very high | 90.2 | Very high | 65 Ų | 65 | 62 Ų | 62 | 25% | 0.245 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.8 | -39.1 | 175.7 | -64.4 | 169.2 | 67.5 | -157.9 | -4 | 111.8 | Y71 T75 S76 E77 R84 | Y71-R80 HydrophobicContact CD1-CG 4.43Å; Y71-R80 HydrophobicContact CD2-CG 4.17Å; Y71-R80 HydrophobicContact CE1-CG 4.14Å; Y71-R80 HydrophobicContact CE2-CB 4.27Å; Y71-R80 HydrophobicContact CE2-CG 3.85Å; Y71-R80 HydrophobicContact CG-CG 4.43Å; T75-R80 HydrophobicContact CG2-CG 3.9Å; T75-R80 WeakPolarHBondContact O-CD 3.42Å; S76-R80 WeakPolarHBondContact O-CG 3.34Å; S76-R80 PolarHBondContact O-N 3.38Å; S76-R80 VanDerWaalsContact O-N 3.11Å; E77-R80 WeakPolarHBondContact O-CB 3.05Å; E77-R80 PolarHBondContact O-N 2.77Å; E77-R80 VanDerWaalsContact O-N 3.14Å; E77-R80 WeakPolarHBondContact OE2-CD 3.36Å; E77-R80 IonicContact OE2-CZ 2.65Å; E77-R80 IonicContact OE2-NE 3.54Å; E77-R80 IonicContact OE2-NH1 2.64Å; E77-R80 PolarHBondContact OE2-NH1 2.9Å; E77-R80 IonicContact OE2-NH2 2.98Å; R80-R84 PolarHBondContact O-N 3.02Å |
| 81 | Q | 90.8 | Very high | 90 | Very high | 107 Ų | 107 | 67.2 Ų | 67.2 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.6 | -40.4 | 174.6 | -68.2 | 177.5 | 11.6 | 0 | 0 | 112.5 | E77 V79 R84 K85 | E77-Q81 WeakPolarHBondContact O-CG 3.38Å; E77-Q81 PolarHBondContact O-N 3.01Å; V79-Q81 VanDerWaalsContact C-N 3.29Å; V79-Q81 PolarHBondContact O-N 2.77Å; Q81-R84 PolarHBondContact O-N 3.32Å; Q81-K85 WeakPolarHBondContact O-CB 3.42Å; Q81-K85 PolarHBondContact O-N 2.78Å |
| 82 | Q | 90.8 | Very high | 89.7 | Confident | 80 Ų | 80 | 72.3 Ų | 72.3 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 175.9 | -72.8 | 170.6 | 0.8 | 0 | 0 | 112.9 | L78 V79 K85 A86 F93 | L78-Q82 VanDerWaalsContact O-CG 3.24Å; L78-Q82 WeakPolarHBondContact O-CG 3.37Å; L78-Q82 PolarHBondContact O-N 3.23Å; V79-Q82 PolarHBondContact O-N 3.04Å; Q82-K85 PolarHBondContact O-N 2.91Å; Q82-A86 WeakPolarHBondContact O-CB 3.47Å; Q82-A86 PolarHBondContact O-N 3.23Å; Q82-F93 HydrophobicContact CB-CE1 4.41Å; Q82-F93 HydrophobicContact CB-CE2 3.74Å; Q82-F93 HydrophobicContact CB-CZ 3.54Å |
| 83 | I | 89.8 | Confident | 89.6 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 174.7 | -69.3 | 166.2 | 0 | 0 | 0 | 110.8 | A66 V79 A86 L87 F93 L97 L111 | A66-I83 HydrophobicContact CB-CG2 3.9Å; V79-I83 HydrophobicContact CG1-CD1 4Å; V79-I83 HydrophobicContact CG1-CG1 4.34Å; V79-I83 WeakPolarHBondContact O-CG1 3.41Å; V79-I83 PolarHBondContact O-N 3.31Å; I83-A86 PolarHBondContact O-N 3.2Å; I83-L87 HydrophobicContact CG2-CD1 4.33Å; I83-L87 WeakPolarHBondContact O-CG 3.12Å; I83-L87 PolarHBondContact O-N 3.15Å; I83-F93 HydrophobicContact CB-CE1 4.5Å; I83-F93 HydrophobicContact CG1-CD1 4.06Å; I83-F93 HydrophobicContact CG1-CE1 3.56Å; I83-L97 HydrophobicContact CD1-CD1 3.89Å; I83-L111 HydrophobicContact CD1-CD1 4.2Å; I83-L111 HydrophobicContact CD1-CD2 4.2Å; I83-L111 HydrophobicContact CG1-CD2 4.28Å |
| 84 | R | 90 | Very high | 89.6 | Confident | 120 Ų | 120 | 71.4 Ų | 71.4 | 45% | 0.453 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.2 | -55.1 | 175.8 | -73.9 | 173.7 | 172.3 | 147.2 | -7.3 | 110.8 | R80 Q81 A86 L87 D88 | R80-R84 PolarHBondContact O-N 3.02Å; Q81-R84 PolarHBondContact O-N 3.32Å; R84-A86 PolarHBondContact O-N 3.42Å; R84-A86 VanDerWaalsContact O-N 3.15Å; R84-L87 WeakPolarHBondContact O-CA 3.4Å; R84-L87 WeakPolarHBondContact O-CB 3.38Å; R84-L87 PolarHBondContact O-N 2.62Å; R84-D88 VanDerWaalsContact O-CG 3.31Å; R84-D88 PolarHBondContact O-N 3.26Å; R84-D88 VanDerWaalsContact O-OD2 3.05Å |
| 85 | K | 91 | Very high | 89.6 | Confident | 122 Ų | 122 | 67.4 Ų | 67.4 | 53% | 0.53 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55.8 | -35.5 | 179.8 | -177.7 | 170.4 | -179.9 | 171.5 | 0 | 113.1 | Q81 Q82 E89 | Q81-K85 WeakPolarHBondContact O-CB 3.42Å; Q81-K85 PolarHBondContact O-N 2.78Å; Q82-K85 PolarHBondContact O-N 2.91Å; K85-E89 VanDerWaalsContact CE-CD 3.43Å; K85-E89 WeakPolarHBondContact CE-OE1 2.79Å; K85-E89 HydrophobicContact CG-CG 4.21Å; K85-E89 IonicContact NZ-OE1 2.66Å; K85-E89 VanDerWaalsContact O-CB 3.26Å; K85-E89 WeakPolarHBondContact O-CB 3.46Å; K85-E89 VanDerWaalsContact O-CG 3.31Å; K85-E89 WeakPolarHBondContact O-CG 3.35Å; K85-E89 PolarHBondContact O-N 3.08Å |
| 86 | A | 89.8 | Confident | 89.5 | Confident | 7 Ų | 7 | 71.6 Ų | 71.6 | 6% | 0.058 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.2 | -36.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q82 I83 R84 H90 K91 F93 | Q82-A86 WeakPolarHBondContact O-CB 3.47Å; Q82-A86 PolarHBondContact O-N 3.23Å; I83-A86 PolarHBondContact O-N 3.2Å; R84-A86 PolarHBondContact O-N 3.42Å; R84-A86 VanDerWaalsContact O-N 3.15Å; A86-H90 PolarHBondContact O-N 3.22Å; A86-H90 VanDerWaalsContact O-N 3.09Å; A86-K91 PolarHBondContact O-N 3.15Å; A86-F93 HydrophobicContact CB-CB 3.28Å; A86-F93 HydrophobicContact CB-CD1 4.28Å; A86-F93 HydrophobicContact CB-CD2 4.17Å; A86-F93 HydrophobicContact CB-CG 3.65Å |
| 87 | L | 90.7 | Very high | 89.6 | Confident | 4 Ų | 4 | 68.9 Ų | 68.9 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.3 | -48.7 | 172.5 | -64.2 | 166.3 | 0 | 0 | 0 | 110.1 | F40 A66 I83 R84 E89 H90 V113 F126 | F40-L87 HydrophobicContact CD2-CB 3.89Å; F40-L87 HydrophobicContact CD2-CD1 4.29Å; F40-L87 HydrophobicContact CE2-CB 3.8Å; F40-L87 HydrophobicContact CZ-CB 4.48Å; A66-L87 HydrophobicContact CB-CD1 3.95Å; I83-L87 HydrophobicContact CG2-CD1 4.33Å; I83-L87 WeakPolarHBondContact O-CG 3.12Å; I83-L87 PolarHBondContact O-N 3.15Å; R84-L87 WeakPolarHBondContact O-CA 3.4Å; R84-L87 WeakPolarHBondContact O-CB 3.38Å; R84-L87 PolarHBondContact O-N 2.62Å; L87-E89 PolarHBondContact O-N 2.97Å; L87-H90 WeakPolarHBondContact O-CA 3.26Å; L87-H90 PolarHBondContact O-N 2.79Å; L87-V113 HydrophobicContact CD2-CG1 3.73Å; L87-F126 HydrophobicContact CB-CE2 4.45Å; L87-F126 HydrophobicContact CB-CZ 4.33Å; L87-F126 HydrophobicContact CD2-CB 4.14Å; L87-F126 HydrophobicContact CD2-CD1 3.68Å; L87-F126 HydrophobicContact CD2-CD2 3.75Å; L87-F126 HydrophobicContact CD2-CE1 3.92Å; L87-F126 HydrophobicContact CD2-CE2 3.98Å; L87-F126 HydrophobicContact CD2-CG 3.59Å; L87-F126 HydrophobicContact CD2-CZ 4.08Å; L87-F126 VanDerWaalsContact O-CZ 3.27Å; L87-F126 WeakPolarHBondContact O-CZ 3.26Å |
| 88 | D | 89.9 | Confident | 89.7 | Confident | 91 Ų | 91 | 66.6 Ų | 66.6 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 178.3 | -58.7 | -43.9 | 0 | 0 | 0 | 112 | F40 R84 H90 | F40-D88 WeakPolarHBondContact CE2-OD1 3.45Å; R84-D88 VanDerWaalsContact O-CG 3.31Å; R84-D88 PolarHBondContact O-N 3.26Å; R84-D88 VanDerWaalsContact O-OD2 3.05Å; D88-H90 PolarHBondContact O-N 3.33Å; D88-H90 PolarHBondContact O-ND1 2.92Å |
| 89 | E | 90.1 | Very high | 89.8 | Confident | 85 Ų | 85 | 61.5 Ų | 61.5 | 40% | 0.397 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -0.6 | 176.5 | -66.6 | -173.6 | 167.6 | 0 | 0 | 113.9 | K85 L87 K91 | K85-E89 VanDerWaalsContact CE-CD 3.43Å; K85-E89 WeakPolarHBondContact CE-OE1 2.79Å; K85-E89 HydrophobicContact CG-CG 4.21Å; K85-E89 IonicContact NZ-OE1 2.66Å; K85-E89 VanDerWaalsContact O-CB 3.26Å; K85-E89 WeakPolarHBondContact O-CB 3.46Å; K85-E89 VanDerWaalsContact O-CG 3.31Å; K85-E89 WeakPolarHBondContact O-CG 3.35Å; K85-E89 PolarHBondContact O-N 3.08Å; L87-E89 PolarHBondContact O-N 2.97Å; E89-K91 VanDerWaalsContact C-N 3.35Å; E89-K91 HydrophobicContact CB-CD 3.86Å; E89-K91 HydrophobicContact CB-CG 4.24Å; E89-K91 PolarHBondContact O-N 3.19Å; E89-K91 WeakPolarHBondContact OE2-CD 3.38Å; E89-K91 WeakPolarHBondContact OE2-CE 3.31Å; E89-K91 IonicContact OE2-NZ 3.23Å; E89-K91 PolarHBondContact OE2-NZ 3.45Å |
| 90 | H | 90.2 | Very high | 90.1 | Very high | 75 Ų | 75 | 61.9 Ų | 61.9 | 35% | 0.347 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 42 | -179 | -62.4 | 73.7 | 0 | 0 | 0 | 114.4 | A86 L87 D88 V123 F126 | A86-H90 PolarHBondContact O-N 3.22Å; A86-H90 VanDerWaalsContact O-N 3.09Å; L87-H90 WeakPolarHBondContact O-CA 3.26Å; L87-H90 PolarHBondContact O-N 2.79Å; D88-H90 PolarHBondContact O-N 3.33Å; D88-H90 PolarHBondContact O-ND1 2.92Å; H90-V123 HydrophobicContact CB-CG2 4.34Å; H90-F126 AromaticContact CD2-CZ 3.64Å |
| 91 | K | 87.4 | Confident | 90.2 | Very high | 110 Ų | 110 | 62.5 Ų | 62.5 | 48% | 0.478 | 28% | 0.284 | S | S | . | . | trans | -110.5 | 153.7 | -174.5 | -74.7 | 168.6 | -167.8 | 169.5 | 0 | 113.2 | A86 E89 F93 | A86-K91 PolarHBondContact O-N 3.15Å; E89-K91 VanDerWaalsContact C-N 3.35Å; E89-K91 HydrophobicContact CB-CD 3.86Å; E89-K91 HydrophobicContact CB-CG 4.24Å; E89-K91 PolarHBondContact O-N 3.19Å; E89-K91 WeakPolarHBondContact OE2-CD 3.38Å; E89-K91 WeakPolarHBondContact OE2-CE 3.31Å; E89-K91 IonicContact OE2-NZ 3.23Å; E89-K91 PolarHBondContact OE2-NZ 3.45Å; K91-F93 PolarHBondContact O-N 2.89Å | ||
| 92 | E | 86.7 | Confident | 90.2 | Very high | 138 Ų | 138 | 62.4 Ų | 62.4 | 65% | 0.645 | 28% | 0.282 | S | S | * | . | trans | -62 | 129.4 | 164.8 | -68.7 | 172.3 | -171.2 | 0 | 0 | 109.7 | V113 P115 | E92-V113 WeakPolarHBondContact CA-O 3.37Å; E92-P115 HydrophobicContact CG-CG 4.35Å | ||
| 93 | F | 89.1 | Confident | 90.2 | Very high | 42 Ų | 42 | 62.6 Ų | 62.6 | 18% | 0.184 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 142.3 | -179.8 | 176.9 | -94.4 | 0 | 0 | 0 | 112.1 | Q82 I83 A86 K91 A95 V113 | Q82-F93 HydrophobicContact CB-CE1 4.41Å; Q82-F93 HydrophobicContact CB-CE2 3.74Å; Q82-F93 HydrophobicContact CB-CZ 3.54Å; I83-F93 HydrophobicContact CB-CE1 4.5Å; I83-F93 HydrophobicContact CG1-CD1 4.06Å; I83-F93 HydrophobicContact CG1-CE1 3.56Å; A86-F93 HydrophobicContact CB-CB 3.28Å; A86-F93 HydrophobicContact CB-CD1 4.28Å; A86-F93 HydrophobicContact CB-CD2 4.17Å; A86-F93 HydrophobicContact CB-CG 3.65Å; K91-F93 PolarHBondContact O-N 2.89Å; F93-A95 HydrophobicContact CE1-CB 3.63Å; F93-A95 HydrophobicContact CZ-CB 3.8Å; F93-V113 HydrophobicContact CB-CB 4.36Å; F93-V113 PolarHBondContact N-O 2.87Å; F93-V113 VanDerWaalsContact N-O 3.08Å; F93-V113 PolarHBondContact O-N 3.39Å |
| 94 | K | 88.8 | Confident | 90 | Very high | 82 Ų | 82 | 64.9 Ų | 64.9 | 36% | 0.357 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 127.7 | -171.5 | -167 | -170.4 | -140.5 | 87.2 | 0 | 110.6 | L110 L111 D112 S178 | K94-L110 HydrophobicContact CD-CD1 4.36Å; K94-L110 HydrophobicContact CG-CD1 3.99Å; K94-L111 WeakPolarHBondContact CA-O 3.37Å; K94-D112 WeakPolarHBondContact CG-OD1 3.41Å; K94-D112 IonicContact NZ-OD1 3.22Å; K94-D112 PolarHBondContact NZ-OD1 3.36Å; K94-D112 IonicContact NZ-OD2 3.41Å; K94-D112 PolarHBondContact NZ-OD2 2.83Å; K94-S178 PolarHBondContact NZ-OG 3.31Å |
| 95 | A | 87.7 | Confident | 89.9 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 12% | 0.116 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 154 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | V79 F93 L111 | V79-A95 HydrophobicContact CG1-CB 3.59Å; F93-A95 HydrophobicContact CE1-CB 3.63Å; F93-A95 HydrophobicContact CZ-CB 3.8Å; A95-L111 PolarHBondContact N-O 3.42Å; A95-L111 PolarHBondContact O-N 3.2Å |
| 96 | E | 89.4 | Confident | 89.9 | Confident | 94 Ų | 94 | 62 Ų | 62 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 124.5 | 167 | -63.4 | -175.4 | 162.4 | 0 | 0 | 109 | C109 L110 I133 K137 | E96-C109 WeakPolarHBondContact CA-O 3.48Å; E96-L110 HydrophobicContact CG-CD1 3.8Å; E96-I133 HydrophobicContact CB-CD1 4.23Å; E96-I133 HydrophobicContact CG-CD1 3.77Å; E96-I133 WeakPolarHBondContact OE1-CD1 3.37Å; E96-K137 WeakPolarHBondContact OE2-CE 3.37Å; E96-K137 IonicContact OE2-NZ 2.85Å; E96-K137 PolarHBondContact OE2-NZ 2.92Å |
| 97 | L | 91.9 | Very high | 90 | Very high | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 157.1 | -179.1 | 66 | 167.5 | 0 | 0 | 0 | 111.8 | T75 V79 I83 L99 C109 L111 | T75-L97 HydrophobicContact CG2-CD1 4.04Å; V79-L97 HydrophobicContact CG1-CB 4.23Å; V79-L97 HydrophobicContact CG1-CD1 4.11Å; V79-L97 HydrophobicContact CG1-CD2 4.49Å; I83-L97 HydrophobicContact CD1-CD1 3.89Å; L97-L99 HydrophobicContact CD1-CD2 3.8Å; L97-L99 HydrophobicContact CD1-CG 4.42Å; L97-L99 HydrophobicContact CG-CD2 4.11Å; L97-L99 HydrophobicContact CG-CG 4.2Å; L97-C109 PolarHBondContact N-O 2.89Å; L97-C109 PolarHBondContact O-N 2.97Å; L97-L111 HydrophobicContact CD2-CB 3.66Å; L97-L111 HydrophobicContact CD2-CD1 4.4Å |
| 98 | I | 91 | Very high | 89.9 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 15% | 0.149 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 127.9 | 171.2 | -62.3 | 169 | 0 | 0 | 0 | 108.6 | D74 T75 Y100 P106 F107 W108 | D74-I98 HydrophobicContact CB-CB 4.31Å; D74-I98 HydrophobicContact CB-CD1 3.81Å; D74-I98 HydrophobicContact CB-CG2 4.15Å; T75-I98 WeakPolarHBondContact CB-O 3.44Å; T75-I98 WeakPolarHBondContact CG2-O 3.24Å; T75-I98 PolarHBondContact OG1-O 3.38Å; I98-Y100 HydrophobicContact CG2-CE2 4.14Å; I98-P106 HydrophobicContact CG2-CB 3.73Å; I98-F107 WeakPolarHBondContact CA-O 3.42Å; I98-W108 HydrophobicContact CD1-CH2 4.31Å; I98-W108 HydrophobicContact CD1-CZ2 3.79Å; I98-W108 HydrophobicContact CG1-CD2 3.82Å; I98-W108 HydrophobicContact CG1-CE3 4.11Å; I98-W108 HydrophobicContact CG1-CG 4.34Å; I98-W108 HydrophobicContact CG1-CH2 4.15Å; I98-W108 HydrophobicContact CG1-CZ2 3.85Å; I98-W108 HydrophobicContact CG1-CZ3 4.27Å |
| 99 | L | 92.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 160.2 | 173.3 | -65.6 | -177.5 | 0 | 0 | 0 | 109.6 | L70 Y71 T75 L97 P106 F107 C109 | L70-L99 HydrophobicContact CB-CB 4.22Å; L70-L99 HydrophobicContact CB-CD1 4.35Å; L70-L99 HydrophobicContact CB-CD2 4.09Å; L70-L99 HydrophobicContact CB-CG 4.45Å; L70-L99 HydrophobicContact CD1-CD1 4.09Å; L70-L99 CarbonylContact O-C 3.46Å; L70-L99 WeakPolarHBondContact O-CA 3.3Å; Y71-L99 HydrophobicContact CD1-CD2 3.83Å; Y71-L99 HydrophobicContact CE1-CD2 4.15Å; T75-L99 HydrophobicContact CG2-CD2 4.44Å; L97-L99 HydrophobicContact CD1-CD2 3.8Å; L97-L99 HydrophobicContact CD1-CG 4.42Å; L97-L99 HydrophobicContact CG-CD2 4.11Å; L97-L99 HydrophobicContact CG-CG 4.2Å; L99-P106 CarbonylContact O-C 3.55Å; L99-P106 WeakPolarHBondContact O-CA 3.12Å; L99-F107 HydrophobicContact CB-CD1 4.36Å; L99-F107 HydrophobicContact CB-CE1 3.75Å; L99-F107 HydrophobicContact CB-CE2 4.49Å; L99-F107 HydrophobicContact CB-CZ 3.83Å; L99-F107 HydrophobicContact CD1-CZ 4.39Å; L99-F107 PolarHBondContact N-O 3.41Å; L99-F107 WeakPolarHBondContact O-CD1 3.43Å; L99-F107 PolarHBondContact O-N 2.86Å; L99-C109 HydrophobicContact CB-CB 4.4Å; L99-C109 HydrophobicContact CD1-CB 3.62Å; L99-C109 HydrophobicContact CG-CB 3.95Å |
| 100 | Y | 92.8 | Very high | 89.7 | Confident | 28 Ų | 28 | 59 Ų | 59 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 141.8 | -177.2 | -63.7 | -100.9 | 0 | 0 | 0 | 110.9 | L70 G72 P73 D74 I98 L105 P106 | L70-Y100 WeakPolarHBondContact CD2-O 3.36Å; L70-Y100 PolarHBondContact O-N 2.82Å; G72-Y100 VanDerWaalsContact CA-CD2 3.49Å; P73-Y100 WeakPolarHBondContact CD-OH 3.35Å; P73-Y100 WeakPolarHBondContact CG-OH 3.31Å; D74-Y100 WeakPolarHBondContact CB-OH 3.34Å; D74-Y100 PolarHBondContact N-OH 2.87Å; D74-Y100 PolarHBondContact OD2-OH 3.14Å; I98-Y100 HydrophobicContact CG2-CE2 4.14Å; Y100-L105 WeakPolarHBondContact CA-O 3.05Å; Y100-P106 HydrophobicContact CD1-CB 3.98Å; Y100-P106 HydrophobicContact CE1-CB 3.67Å; Y100-P106 HydrophobicContact CE1-CG 4.24Å |
| 101 | R | 93 | Very high | 89.6 | Confident | 77 Ų | 77 | 55.5 Ų | 55.5 | 29% | 0.291 | 28% | 0.282 | S | S | . | . | trans | -83.6 | 164.1 | 172.3 | -56.3 | -175.1 | -175.3 | -148.4 | 4.1 | 110 | L52 T53 S103 G104 L105 F107 D132 | L52-R101 VanDerWaalsContact O-CD 3.3Å; L52-R101 WeakPolarHBondContact O-CD 3.4Å; L52-R101 PolarHBondContact O-NE 2.96Å; L52-R101 PolarHBondContact O-NH1 2.92Å; T53-R101 CarbonylContact O-C 3.58Å; T53-R101 VanDerWaalsContact O-CA 3.3Å; T53-R101 WeakPolarHBondContact O-CA 3.35Å; T53-R101 WeakPolarHBondContact O-CB 3.32Å; R101-S103 PolarHBondContact O-N 3.27Å; R101-G104 PolarHBondContact O-N 3.04Å; R101-L105 PolarHBondContact N-O 3.04Å; R101-F107 HydrophobicContact CG-CD1 3.63Å; R101-F107 HydrophobicContact CG-CE1 3.77Å; R101-D132 IonicContact NH2-OD2 3.51Å; R101-D132 PolarHBondContact NH2-OD2 3.01Å | ||
| 102 | K | 92.1 | Very high | 89.5 | Confident | 105 Ų | 105 | 51 Ų | 51 | 46% | 0.457 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -25 | 175.2 | -166.9 | 177.2 | -173.5 | 176.4 | 0 | 113.5 | T53 G54 F55 E59 G104 | T53-K102 PolarHBondContact O-N 2.8Å; G54-K102 WeakPolarHBondContact O-CD 3.34Å; F55-K102 HydrophobicContact CD1-CB 4.45Å; F55-K102 HydrophobicContact CD1-CD 4.08Å; F55-K102 HydrophobicContact CD1-CG 4.26Å; F55-K102 HydrophobicContact CD2-CB 3.92Å; F55-K102 HydrophobicContact CE1-CB 4.32Å; F55-K102 HydrophobicContact CE1-CD 4.33Å; F55-K102 HydrophobicContact CE1-CG 4.06Å; F55-K102 HydrophobicContact CE2-CB 3.77Å; F55-K102 HydrophobicContact CE2-CG 4.4Å; F55-K102 HydrophobicContact CG-CB 4.27Å; F55-K102 HydrophobicContact CG-CD 4.34Å; F55-K102 HydrophobicContact CZ-CB 3.99Å; F55-K102 HydrophobicContact CZ-CG 4.14Å; E59-K102 WeakPolarHBondContact OE1-CE 3.32Å; E59-K102 IonicContact OE1-NZ 3.93Å; E59-K102 PolarHBondContact OE1-NZ 2.81Å; E59-K102 IonicContact OE2-NZ 3.14Å; E59-K102 PolarHBondContact OE2-NZ 2.88Å; K102-G104 VanDerWaalsContact C-N 3.27Å; K102-G104 PolarHBondContact O-N 2.94Å |
| 103 | S | 89.1 | Confident | 89.6 | Confident | 85 Ų | 85 | 44.5 Ų | 44.5 | 59% | 0.594 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 5.9 | 173.4 | 58 | 0 | 0 | 0 | 0 | 115.1 | R101 L105 | R101-S103 PolarHBondContact O-N 3.27Å; S103-L105 PolarHBondContact O-N 2.74Å |
| 104 | G | 86.4 | Confident | 89.5 | Confident | 49 Ų | 49 | 43.3 Ų | 43.3 | 51% | 0.505 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 76.2 | 0.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | R101 K102 | R101-G104 PolarHBondContact O-N 3.04Å; K102-G104 VanDerWaalsContact C-N 3.27Å; K102-G104 PolarHBondContact O-N 2.94Å |
| 105 | L | 88.2 | Confident | 89.6 | Confident | 107 Ų | 107 | 40.3 Ų | 40.3 | 56% | 0.56 | 22% | 0.217 | S | C | * | . | trans | -78.1 | 125.6 | -179.2 | -65.7 | 177.3 | 0 | 0 | 0 | 111.8 | Y100 R101 S103 | Y100-L105 WeakPolarHBondContact CA-O 3.05Å; R101-L105 PolarHBondContact N-O 3.04Å; S103-L105 PolarHBondContact O-N 2.74Å | ||
| 106 | P | 91.7 | Very high | 89.4 | Confident | 73 Ų | 73 | 39.7 Ų | 39.7 | 47% | 0.474 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 147 | 172.6 | 28.7 | -32.9 | 0 | 0 | 0 | 111.8 | I98 L99 Y100 | I98-P106 HydrophobicContact CG2-CB 3.73Å; L99-P106 CarbonylContact O-C 3.55Å; L99-P106 WeakPolarHBondContact O-CA 3.12Å; Y100-P106 HydrophobicContact CD1-CB 3.98Å; Y100-P106 HydrophobicContact CE1-CB 3.67Å; Y100-P106 HydrophobicContact CE1-CG 4.24Å |
| 107 | F | 90.5 | Very high | 89.2 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 149.1 | 169.7 | 70.9 | -77.1 | 0 | 0 | 0 | 110.4 | L52 I98 L99 R101 C109 D132 | L52-F107 HydrophobicContact CD1-CD2 4.29Å; L52-F107 HydrophobicContact CD1-CE2 3.94Å; L52-F107 HydrophobicContact CD1-CZ 4.35Å; L52-F107 HydrophobicContact CD2-CE2 4.03Å; L52-F107 HydrophobicContact CD2-CZ 4.27Å; L52-F107 HydrophobicContact CG-CE2 4.09Å; L52-F107 HydrophobicContact CG-CZ 4.14Å; I98-F107 WeakPolarHBondContact CA-O 3.42Å; L99-F107 HydrophobicContact CB-CD1 4.36Å; L99-F107 HydrophobicContact CB-CE1 3.75Å; L99-F107 HydrophobicContact CB-CE2 4.49Å; L99-F107 HydrophobicContact CB-CZ 3.83Å; L99-F107 HydrophobicContact CD1-CZ 4.39Å; L99-F107 PolarHBondContact N-O 3.41Å; L99-F107 WeakPolarHBondContact O-CD1 3.43Å; L99-F107 PolarHBondContact O-N 2.86Å; R101-F107 HydrophobicContact CG-CD1 3.63Å; R101-F107 HydrophobicContact CG-CE1 3.77Å; F107-C109 HydrophobicContact CD2-CB 4.32Å; F107-C109 HydrophobicContact CE2-CB 3.82Å; F107-C109 HydrophobicContact CZ-CB 4.49Å; F107-C109 PolarHBondContact O-N 3.23Å; F107-D132 HydrophobicContact CD2-CB 4.29Å |
| 108 | W | 88.8 | Confident | 88.7 | Confident | 83 Ų | 83 | 42 Ų | 42 | 31% | 0.314 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 120.6 | 173.3 | -80.7 | 92.2 | 0 | 0 | 0 | 110 | I98 D132 I133 S134 K137 | I98-W108 HydrophobicContact CD1-CH2 4.31Å; I98-W108 HydrophobicContact CD1-CZ2 3.79Å; I98-W108 HydrophobicContact CG1-CD2 3.82Å; I98-W108 HydrophobicContact CG1-CE3 4.11Å; I98-W108 HydrophobicContact CG1-CG 4.34Å; I98-W108 HydrophobicContact CG1-CH2 4.15Å; I98-W108 HydrophobicContact CG1-CZ2 3.85Å; I98-W108 HydrophobicContact CG1-CZ3 4.27Å; W108-D132 WeakPolarHBondContact O-CA 2.98Å; W108-I133 HydrophobicContact CB-CD1 4.43Å; W108-I133 HydrophobicContact CB-CG1 3.71Å; W108-I133 WeakPolarHBondContact O-CG1 3.41Å; W108-I133 PolarHBondContact O-N 3.39Å; W108-S134 PolarHBondContact N-OG 2.88Å; W108-K137 HydrophobicContact CB-CG 4.32Å; W108-K137 HydrophobicContact CD2-CD 4.5Å; W108-K137 HydrophobicContact CD2-CG 4.07Å; W108-K137 HydrophobicContact CG-CB 4.41Å; W108-K137 HydrophobicContact CG-CG 3.92Å |
| 109 | C | 88.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 130.1 | 176.7 | -167.5 | 0 | 0 | 0 | 0 | 110.6 | E96 L97 L99 F107 K131 | E96-C109 WeakPolarHBondContact CA-O 3.48Å; L97-C109 PolarHBondContact N-O 2.89Å; L97-C109 PolarHBondContact O-N 2.97Å; L99-C109 HydrophobicContact CB-CB 4.4Å; L99-C109 HydrophobicContact CD1-CB 3.62Å; L99-C109 HydrophobicContact CG-CB 3.95Å; F107-C109 HydrophobicContact CD2-CB 4.32Å; F107-C109 HydrophobicContact CE2-CB 3.82Å; F107-C109 HydrophobicContact CZ-CB 4.49Å; F107-C109 PolarHBondContact O-N 3.23Å; C109-K131 CarbonylContact C-O 3.53Å; C109-K131 WeakPolarHBondContact CA-O 3.43Å; C109-K131 PolarHBondContact SG-N 3.48Å |
| 110 | L | 87 | Confident | 87 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 19% | 0.194 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 114.4 | 154.6 | 176.3 | 69.7 | 0 | 0 | 0 | 107.3 | K94 E96 K131 I133 | K94-L110 HydrophobicContact CD-CD1 4.36Å; K94-L110 HydrophobicContact CG-CD1 3.99Å; E96-L110 HydrophobicContact CG-CD1 3.8Å; L110-K131 HydrophobicContact CB-CB 4.32Å; L110-K131 HydrophobicContact CD2-CD 4.46Å; L110-K131 PolarHBondContact N-O 2.89Å; L110-K131 PolarHBondContact O-N 2.78Å; L110-I133 HydrophobicContact CB-CD1 4.34Å; L110-I133 HydrophobicContact CB-CG2 4.03Å |
| 111 | L | 88.2 | Confident | 86.2 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 137 | 178.3 | -176.7 | 150.4 | 0 | 0 | 0 | 109.7 | I83 K94 A95 L97 V113 V128 S129 | I83-L111 HydrophobicContact CD1-CD1 4.2Å; I83-L111 HydrophobicContact CD1-CD2 4.2Å; I83-L111 HydrophobicContact CG1-CD2 4.28Å; K94-L111 WeakPolarHBondContact CA-O 3.37Å; A95-L111 PolarHBondContact N-O 3.42Å; A95-L111 PolarHBondContact O-N 3.2Å; L97-L111 HydrophobicContact CD2-CB 3.66Å; L97-L111 HydrophobicContact CD2-CD1 4.4Å; L111-V113 HydrophobicContact CD2-CG2 3.57Å; L111-V128 HydrophobicContact CD1-CG1 4.17Å; L111-V128 HydrophobicContact CD2-CG1 4.09Å; L111-V128 HydrophobicContact CG-CG1 3.94Å; L111-S129 WeakPolarHBondContact CA-O 3.41Å |
| 112 | D | 86.2 | Confident | 85.8 | Confident | 15 Ų | 15 | 55.4 Ų | 55.4 | 8% | 0.08 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 107.3 | -172 | -143 | 1.1 | 0 | 0 | 0 | 108.9 | K94 V128 S129 | K94-D112 WeakPolarHBondContact CG-OD1 3.41Å; K94-D112 IonicContact NZ-OD1 3.22Å; K94-D112 PolarHBondContact NZ-OD1 3.36Å; K94-D112 IonicContact NZ-OD2 3.41Å; K94-D112 PolarHBondContact NZ-OD2 2.83Å; D112-V128 CarbonylContact O-C 3.49Å; D112-V128 WeakPolarHBondContact O-CA 3.34Å; D112-S129 PolarHBondContact N-O 2.84Å; D112-S129 PolarHBondContact O-N 3.38Å |
| 113 | V | 88.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 123 | 179.2 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | L87 E92 F93 L111 F126 V128 | L87-V113 HydrophobicContact CD2-CG1 3.73Å; E92-V113 WeakPolarHBondContact CA-O 3.37Å; F93-V113 HydrophobicContact CB-CB 4.36Å; F93-V113 PolarHBondContact N-O 2.87Å; F93-V113 VanDerWaalsContact N-O 3.08Å; F93-V113 PolarHBondContact O-N 3.39Å; L111-V113 HydrophobicContact CD2-CG2 3.57Å; V113-F126 HydrophobicContact CG1-CD1 4.19Å; V113-V128 HydrophobicContact CG1-CG2 4.45Å; V113-V128 HydrophobicContact CG2-CG1 4.25Å; V113-V128 HydrophobicContact CG2-CG2 4.39Å |
| 114 | I | 87.9 | Confident | 85.3 | Confident | 17 Ų | 17 | 47.8 Ų | 47.8 | 9% | 0.087 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 115.5 | -180 | -56.6 | 176.7 | 0 | 0 | 0 | 109.2 | L127 L202 | I114-L127 HydrophobicContact CB-CB 4.4Å; I114-L127 PolarHBondContact N-O 3.36Å; I114-L127 PolarHBondContact O-N 3.2Å; I114-L202 HydrophobicContact CG2-CD1 3.62Å; I114-L202 HydrophobicContact CG2-CD2 3.91Å; I114-L202 HydrophobicContact CG2-CG 4.44Å |
| 115 | P | 89.4 | Confident | 85.5 | Confident | 19 Ų | 19 | 46.2 Ų | 46.2 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 130 | 172.9 | 29.5 | -32.9 | 0 | 0 | 0 | 110.6 | E92 V123 F126 | E92-P115 HydrophobicContact CG-CG 4.35Å; P115-V123 HydrophobicContact CB-CG1 3.71Å; P115-V123 HydrophobicContact CB-CG2 4.04Å; P115-F126 HydrophobicContact CB-CD1 4.19Å; P115-F126 HydrophobicContact CB-CE1 4.03Å |
| 116 | I | 84.9 | Confident | 85.6 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126.4 | -180 | -69.9 | -177.6 | 0 | 0 | 0 | 109.5 | F14 I18 L31 V123 A124 L125 L127 P203 | F14-I116 HydrophobicContact CE2-CD1 4.03Å; F14-I116 HydrophobicContact CE2-CG2 3.68Å; F14-I116 HydrophobicContact CZ-CD1 3.73Å; F14-I116 HydrophobicContact CZ-CG2 3.89Å; I18-I116 HydrophobicContact CD1-CD1 4.33Å; L31-I116 HydrophobicContact CD2-CD1 4.46Å; I116-V123 WeakPolarHBondContact O-CA 3.27Å; I116-A124 PolarHBondContact O-N 2.86Å; I116-L125 HydrophobicContact CB-CB 4.2Å; I116-L125 HydrophobicContact CG2-CB 4.47Å; I116-L125 PolarHBondContact N-O 3.04Å; I116-L125 PolarHBondContact O-N 3.45Å; I116-L127 HydrophobicContact CD1-CB 3.69Å; I116-L127 HydrophobicContact CD1-CD2 4.3Å; I116-L127 HydrophobicContact CG1-CB 4.33Å; I116-P203 WeakPolarHBondContact CG2-O 3.5Å |
| 117 | K | 83.8 | Confident | 85.4 | Confident | 109 Ų | 109 | 37.9 Ų | 37.9 | 47% | 0.474 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 154.8 | -177.3 | -68.5 | 174.4 | 172 | -114.9 | 0 | 112.7 | G121 E122 V123 E204 Y205 | K117-G121 WeakPolarHBondContact CD-O 3.48Å; K117-G121 WeakPolarHBondContact CE-O 3.23Å; K117-G121 PolarHBondContact NZ-O 3.11Å; K117-E122 CarbonylContact C-O 3.58Å; K117-E122 WeakPolarHBondContact CA-O 3.47Å; K117-E122 WeakPolarHBondContact CB-O 3.32Å; K117-V123 HydrophobicContact CG-CG2 4.07Å; K117-E204 CarbonylContact O-C 3.58Å; K117-E204 WeakPolarHBondContact O-CA 3.49Å; K117-E204 VanDerWaalsContact O-CG 3.24Å; K117-E204 WeakPolarHBondContact O-CG 3.49Å; K117-Y205 PolarHBondContact O-N 3.42Å |
| 118 | N | 81.6 | Confident | 85.4 | Confident | 38 Ų | 38 | 37.7 Ų | 37.7 | 20% | 0.203 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -97 | 170.1 | 166.7 | -170.3 | -1.7 | 0 | 0 | 0 | 109.5 | K120 G121 E122 A124 Y205 | N118-K120 PolarHBondContact O-N 2.84Å; N118-G121 WeakPolarHBondContact O-CA 3.3Å; N118-G121 PolarHBondContact O-N 2.67Å; N118-E122 PolarHBondContact N-O 3.45Å; N118-A124 HydrophobicContact CB-CB 3.99Å; N118-Y205 WeakPolarHBondContact CA-O 3.29Å; N118-Y205 PolarHBondContact OD1-O 2.63Å; N118-Y205 VanDerWaalsContact OD1-O 3.07Å |
| 119 | E | 72.8 | Confident | 85.4 | Confident | 110 Ų | 110 | 34.4 Ų | 34.4 | 51% | 0.514 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -28.3 | -178.1 | -58.5 | 177.9 | -144.8 | 0 | 0 | 114.2 | G121 K206 V207 | E119-G121 VanDerWaalsContact C-N 3.25Å; E119-G121 PolarHBondContact O-N 3.12Å; E119-K206 HydrophobicContact CG-CB 3.3Å; E119-K206 HydrophobicContact CG-CD 3.93Å; E119-K206 HydrophobicContact CG-CG 4.35Å; E119-K206 VanDerWaalsContact OE1-CB 3.3Å; E119-K206 WeakPolarHBondContact OE1-CB 3.29Å; E119-V207 PolarHBondContact OE1-N 3.04Å |
| 120 | K | 75.2 | Confident | 85.4 | Confident | 169 Ų | 169 | 34.4 Ų | 34.4 | 74% | 0.735 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -0.8 | 177 | -59.7 | -175.4 | 179.7 | -177.1 | 0 | 114 | N118 E122 | N118-K120 PolarHBondContact O-N 2.84Å; K120-E122 HydrophobicContact CB-CG 4.15Å; K120-E122 PolarHBondContact O-N 2.93Å |
| 121 | G | 76.6 | Confident | 85.3 | Confident | 33 Ų | 33 | 35.3 Ų | 35.3 | 34% | 0.34 | 18% | 0.177 | S | C | . | . | S | Bend | trans | 79.5 | -6.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | K117 N118 E119 | K117-G121 WeakPolarHBondContact CD-O 3.48Å; K117-G121 WeakPolarHBondContact CE-O 3.23Å; K117-G121 PolarHBondContact NZ-O 3.11Å; N118-G121 WeakPolarHBondContact O-CA 3.3Å; N118-G121 PolarHBondContact O-N 2.67Å; E119-G121 VanDerWaalsContact C-N 3.25Å; E119-G121 PolarHBondContact O-N 3.12Å |
| 122 | E | 84.7 | Confident | 85.2 | Confident | 104 Ų | 104 | 37.7 Ų | 37.7 | 49% | 0.486 | 19% | 0.19 | S | C | . | . | trans | -68.9 | 148.2 | 173.3 | -61.2 | 169 | 162.9 | 0 | 0 | 111.2 | K117 N118 K120 | K117-E122 CarbonylContact C-O 3.58Å; K117-E122 WeakPolarHBondContact CA-O 3.47Å; K117-E122 WeakPolarHBondContact CB-O 3.32Å; N118-E122 PolarHBondContact N-O 3.45Å; K120-E122 HydrophobicContact CB-CG 4.15Å; K120-E122 PolarHBondContact O-N 2.93Å | ||
| 123 | V | 85.3 | Confident | 85.1 | Confident | 25 Ų | 25 | 37.8 Ų | 37.8 | 15% | 0.152 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 122.3 | 174.2 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | A34 H90 P115 I116 K117 F126 | A34-V123 HydrophobicContact CB-CG1 3.82Å; H90-V123 HydrophobicContact CB-CG2 4.34Å; P115-V123 HydrophobicContact CB-CG1 3.71Å; P115-V123 HydrophobicContact CB-CG2 4.04Å; I116-V123 WeakPolarHBondContact O-CA 3.27Å; K117-V123 HydrophobicContact CG-CG2 4.07Å; V123-F126 HydrophobicContact CG1-CE1 4.4Å |
| 124 | A | 85.8 | Confident | 84.7 | Confident | 6 Ų | 6 | 38.8 Ų | 38.8 | 5% | 0.05 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | -32.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N33 A34 I116 N118 Y205 | N33-A124 PolarHBondContact OD1-O 2.62Å; A34-A124 PolarHBondContact N-O 2.71Å; I116-A124 PolarHBondContact O-N 2.86Å; N118-A124 HydrophobicContact CB-CB 3.99Å; A124-Y205 HydrophobicContact CB-CD1 4.3Å |
| 125 | L | 89.6 | Confident | 84 | Confident | 16 Ų | 16 | 43.4 Ų | 43.4 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 154.4 | -178.8 | -64.8 | 175.9 | 0 | 0 | 0 | 111.5 | F14 G32 V43 I116 Y205 | F14-L125 HydrophobicContact CD1-CD1 4.47Å; F14-L125 HydrophobicContact CE1-CD1 3.55Å; F14-L125 HydrophobicContact CZ-CD1 3.75Å; G32-L125 CarbonylContact O-C 3.57Å; G32-L125 VanDerWaalsContact O-CA 3.23Å; G32-L125 WeakPolarHBondContact O-CA 3.3Å; G32-L125 WeakPolarHBondContact O-CD2 3.44Å; V43-L125 HydrophobicContact CG2-CD2 3.97Å; I116-L125 HydrophobicContact CB-CB 4.2Å; I116-L125 HydrophobicContact CG2-CB 4.47Å; I116-L125 PolarHBondContact N-O 3.04Å; I116-L125 PolarHBondContact O-N 3.45Å; L125-Y205 HydrophobicContact CD1-CD2 3.46Å; L125-Y205 VanDerWaalsContact CD1-CD2 3.46Å; L125-Y205 HydrophobicContact CD1-CE2 3.97Å; L125-Y205 HydrophobicContact CD1-CG 3.93Å; L125-Y205 HydrophobicContact CG-CD2 4.41Å; L125-Y205 HydrophobicContact CG-CG 4.47Å |
| 126 | F | 90.2 | Very high | 83.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.1 | 164.8 | -70.1 | -70.9 | 0 | 0 | 0 | 109.7 | L31 G32 A34 F40 L87 H90 V113 P115 V123 V128 | L31-F126 CarbonylContact C-O 3.59Å; L31-F126 VanDerWaalsContact CA-O 3.3Å; L31-F126 WeakPolarHBondContact CA-O 3.45Å; G32-F126 PolarHBondContact N-O 3.5Å; G32-F126 PolarHBondContact O-N 2.89Å; A34-F126 HydrophobicContact CB-CD2 3.68Å; A34-F126 HydrophobicContact CB-CE2 3.43Å; A34-F126 VanDerWaalsContact CB-CE2 3.43Å; A34-F126 HydrophobicContact CB-CG 4.49Å; A34-F126 HydrophobicContact CB-CZ 4.06Å; F40-F126 HydrophobicContact CD1-CD2 4.39Å; F40-F126 AromaticContact CD1-CE2 3.8Å; F40-F126 HydrophobicContact CD1-CE2 3.8Å; F40-F126 HydrophobicContact CE1-CE2 4.06Å; F40-F126 HydrophobicContact CG-CE2 4.2Å; L87-F126 HydrophobicContact CB-CE2 4.45Å; L87-F126 HydrophobicContact CB-CZ 4.33Å; L87-F126 HydrophobicContact CD2-CB 4.14Å; L87-F126 HydrophobicContact CD2-CD1 3.68Å; L87-F126 HydrophobicContact CD2-CD2 3.75Å; L87-F126 HydrophobicContact CD2-CE1 3.92Å; L87-F126 HydrophobicContact CD2-CE2 3.98Å; L87-F126 HydrophobicContact CD2-CG 3.59Å; L87-F126 HydrophobicContact CD2-CZ 4.08Å; L87-F126 VanDerWaalsContact O-CZ 3.27Å; L87-F126 WeakPolarHBondContact O-CZ 3.26Å; H90-F126 AromaticContact CD2-CZ 3.64Å; V113-F126 HydrophobicContact CG1-CD1 4.19Å; P115-F126 HydrophobicContact CB-CD1 4.19Å; P115-F126 HydrophobicContact CB-CE1 4.03Å; V123-F126 HydrophobicContact CG1-CE1 4.4Å; F126-V128 HydrophobicContact CB-CG2 4.47Å |
| 127 | L | 89.1 | Confident | 82.5 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116.2 | 168 | 172.3 | 64.4 | 0 | 0 | 0 | 108.8 | F22 F29 L31 I114 I116 | F22-L127 HydrophobicContact CE2-CD2 4.22Å; F22-L127 HydrophobicContact CZ-CD2 4.16Å; F29-L127 HydrophobicContact CB-CD1 3.83Å; F29-L127 HydrophobicContact CD2-CD1 3.4Å; F29-L127 VanDerWaalsContact CD2-CD1 3.4Å; F29-L127 HydrophobicContact CE2-CD1 4.18Å; F29-L127 HydrophobicContact CG-CD1 3.81Å; L31-L127 HydrophobicContact CD2-CB 3.98Å; L31-L127 HydrophobicContact CD2-CD1 3.86Å; I114-L127 HydrophobicContact CB-CB 4.4Å; I114-L127 PolarHBondContact N-O 3.36Å; I114-L127 PolarHBondContact O-N 3.2Å; I116-L127 HydrophobicContact CD1-CB 3.69Å; I116-L127 HydrophobicContact CD1-CD2 4.3Å; I116-L127 HydrophobicContact CG1-CB 4.33Å |
| 128 | V | 90 | Very high | 81.3 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 103.7 | 178.7 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | F29 V30 C65 L111 D112 V113 F126 H130 | F29-V128 VanDerWaalsContact CA-O 3.3Å; F29-V128 WeakPolarHBondContact CA-O 3.42Å; V30-V128 HydrophobicContact CG2-CB 3.88Å; V30-V128 HydrophobicContact CG2-CG2 4.48Å; V30-V128 PolarHBondContact N-O 3.42Å; V30-V128 PolarHBondContact O-N 3.32Å; C65-V128 HydrophobicContact CB-CG2 4.34Å; L111-V128 HydrophobicContact CD1-CG1 4.17Å; L111-V128 HydrophobicContact CD2-CG1 4.09Å; L111-V128 HydrophobicContact CG-CG1 3.94Å; D112-V128 CarbonylContact O-C 3.49Å; D112-V128 WeakPolarHBondContact O-CA 3.34Å; V113-V128 HydrophobicContact CG1-CG2 4.45Å; V113-V128 HydrophobicContact CG2-CG1 4.25Å; V113-V128 HydrophobicContact CG2-CG2 4.39Å; F126-V128 HydrophobicContact CB-CG2 4.47Å; V128-H130 PolarHBondContact O-ND1 3.08Å |
| 129 | S | 87.8 | Confident | 79.8 | Confident | 13 Ų | 13 | 60.9 Ų | 60.9 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 142.2 | 178.1 | -165.5 | 0 | 0 | 0 | 0 | 111.4 | N28 L111 D112 | N28-S129 PolarHBondContact O-OG 2.88Å; L111-S129 WeakPolarHBondContact CA-O 3.41Å; D112-S129 PolarHBondContact N-O 2.84Å; D112-S129 PolarHBondContact O-N 3.38Å |
| 130 | H | 88.4 | Confident | 78.3 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 123.8 | -174.8 | -69.3 | 76.6 | 0 | 0 | 0 | 109.4 | N28 F49 L52 V128 | N28-H130 HydrophobicContact CB-CB 4.49Å; N28-H130 WeakPolarHBondContact CB-O 3.49Å; N28-H130 PolarHBondContact ND2-O 2.71Å; N28-H130 PolarHBondContact O-N 3.46Å; F49-H130 HydrophobicContact CD2-CB 4.33Å; F49-H130 AromaticContact CD2-ND1 3.9Å; F49-H130 HydrophobicContact CE2-CB 4.47Å; F49-H130 AromaticContact CE2-CD2 3.91Å; F49-H130 AromaticContact CE2-CE1 3.65Å; F49-H130 AromaticContact CE2-CG 3.79Å; F49-H130 AromaticContact CE2-ND1 3.63Å; F49-H130 AromaticContact CE2-NE2 3.83Å; L52-H130 HydrophobicContact CD2-CB 4.1Å; V128-H130 PolarHBondContact O-ND1 3.08Å |
| 131 | K | 86.1 | Confident | 76.4 | Confident | 56 Ų | 56 | 53.4 Ų | 53.4 | 24% | 0.243 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 116.7 | -173.9 | -177.7 | 175.2 | -173.3 | 169.5 | 0 | 112.3 | C109 L110 I133 L174 | C109-K131 CarbonylContact C-O 3.53Å; C109-K131 WeakPolarHBondContact CA-O 3.43Å; C109-K131 PolarHBondContact SG-N 3.48Å; L110-K131 HydrophobicContact CB-CB 4.32Å; L110-K131 HydrophobicContact CD2-CD 4.46Å; L110-K131 PolarHBondContact N-O 2.89Å; L110-K131 PolarHBondContact O-N 2.78Å; K131-I133 HydrophobicContact CG-CG2 4.44Å; K131-I133 PolarHBondContact O-N 3.09Å; K131-L174 HydrophobicContact CD-CD1 3.95Å |
| 132 | D | 84.3 | Confident | 74.6 | Confident | 50 Ų | 50 | 58.1 Ų | 58.1 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 123.2 | 174.8 | -160.8 | -35.4 | 0 | 0 | 0 | 111 | L52 R101 F107 W108 S134 | L52-D132 HydrophobicContact CD1-CB 4.07Å; R101-D132 IonicContact NH2-OD2 3.51Å; R101-D132 PolarHBondContact NH2-OD2 3.01Å; F107-D132 HydrophobicContact CD2-CB 4.29Å; W108-D132 WeakPolarHBondContact O-CA 2.98Å; D132-S134 WeakPolarHBondContact OD1-CB 3.43Å; D132-S134 PolarHBondContact OD1-N 3Å; D132-S134 PolarHBondContact OD1-OG 2.93Å |
| 133 | I | 84.4 | Confident | 72.6 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 9% | 0.087 | 34% | 0.343 | C | S | . | . | trans | -121.8 | 13.8 | 177.9 | 62.8 | 169 | 0 | 0 | 0 | 112.2 | E96 W108 L110 K131 E135 T136 K137 | E96-I133 HydrophobicContact CB-CD1 4.23Å; E96-I133 HydrophobicContact CG-CD1 3.77Å; E96-I133 WeakPolarHBondContact OE1-CD1 3.37Å; W108-I133 HydrophobicContact CB-CD1 4.43Å; W108-I133 HydrophobicContact CB-CG1 3.71Å; W108-I133 WeakPolarHBondContact O-CG1 3.41Å; W108-I133 PolarHBondContact O-N 3.39Å; L110-I133 HydrophobicContact CB-CD1 4.34Å; L110-I133 HydrophobicContact CB-CG2 4.03Å; K131-I133 HydrophobicContact CG-CG2 4.44Å; K131-I133 PolarHBondContact O-N 3.09Å; I133-E135 PolarHBondContact O-N 3.34Å; I133-T136 PolarHBondContact O-N 2.96Å; I133-T136 PolarHBondContact O-OG1 2.67Å; I133-K137 PolarHBondContact O-N 2.89Å; I133-K137 VanDerWaalsContact O-N 3.14Å | ||
| 134 | S | 80.8 | Confident | 70 | Confident | 23 Ų | 23 | 69.7 Ų | 69.7 | 16% | 0.161 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.3 | -42.8 | -174.1 | -49.9 | 0 | 0 | 0 | 0 | 112.5 | W108 D132 T136 K137 N138 | W108-S134 PolarHBondContact N-OG 2.88Å; D132-S134 WeakPolarHBondContact OD1-CB 3.43Å; D132-S134 PolarHBondContact OD1-N 3Å; D132-S134 PolarHBondContact OD1-OG 2.93Å; S134-T136 PolarHBondContact O-N 3.42Å; S134-K137 PolarHBondContact O-N 2.86Å; S134-N138 WeakPolarHBondContact O-CB 3.15Å; S134-N138 PolarHBondContact O-N 2.83Å |
| 135 | E | 74 | Confident | 67.4 | Low | 114 Ų | 114 | 79.9 Ų | 79.9 | 53% | 0.533 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59 | -31.3 | 174.9 | -70.8 | -169.2 | 145.2 | 0 | 0 | 113.8 | I133 R139 R167 | I133-E135 PolarHBondContact O-N 3.34Å; E135-R139 WeakPolarHBondContact O-CG 3.16Å; E135-R167 IonicContact OE2-CZ 3.27Å; E135-R167 IonicContact OE2-NH1 2.62Å; E135-R167 PolarHBondContact OE2-NH1 3.48Å; E135-R167 IonicContact OE2-NH2 2.79Å; E135-R167 PolarHBondContact OE2-NH2 3.36Å |
| 136 | T | 72.3 | Confident | 64.7 | Low | 91 Ų | 91 | 88.4 Ų | 88.4 | 56% | 0.558 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -83.4 | -29.2 | -179.5 | 33.5 | 0 | 0 | 0 | 0 | 112.8 | I133 S134 | I133-T136 PolarHBondContact O-N 2.96Å; I133-T136 PolarHBondContact O-OG1 2.67Å; S134-T136 PolarHBondContact O-N 3.42Å |
| 137 | K | 69.7 | Low | 62.1 | Low | 81 Ų | 81 | 97.5 Ų | 97.5 | 35% | 0.352 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72.9 | -44.8 | 171.2 | -67.6 | -74.3 | -176.3 | 173 | 0 | 111.1 | E96 W108 I133 S134 R139 G140 | E96-K137 WeakPolarHBondContact OE2-CE 3.37Å; E96-K137 IonicContact OE2-NZ 2.85Å; E96-K137 PolarHBondContact OE2-NZ 2.92Å; W108-K137 HydrophobicContact CB-CG 4.32Å; W108-K137 HydrophobicContact CD2-CD 4.5Å; W108-K137 HydrophobicContact CD2-CG 4.07Å; W108-K137 HydrophobicContact CG-CB 4.41Å; W108-K137 HydrophobicContact CG-CG 3.92Å; I133-K137 PolarHBondContact O-N 2.89Å; I133-K137 VanDerWaalsContact O-N 3.14Å; S134-K137 PolarHBondContact O-N 2.86Å; K137-R139 PolarHBondContact O-N 2.96Å; K137-G140 PolarHBondContact O-N 3.45Å |
| 138 | N | 58.4 | Low | 59.3 | Low | 137 Ų | 137 | 104.1 Ų | 104.1 | 73% | 0.733 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -9.1 | -179.2 | -70.8 | 10.8 | 0 | 0 | 0 | 114.5 | S134 | S134-N138 WeakPolarHBondContact O-CB 3.15Å; S134-N138 PolarHBondContact O-N 2.83Å |
| 139 | R | 50.3 | Low | 56.5 | Low | 226 Ų | 226 | 107.7 Ų | 107.7 | 85% | 0.853 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -0.6 | 171.9 | -76.7 | -178.4 | 172.7 | -126.7 | -1.5 | 114.2 | E135 K137 | E135-R139 WeakPolarHBondContact O-CG 3.16Å; K137-R139 PolarHBondContact O-N 2.96Å |
| 140 | G | 40.5 | Very low | 53.7 | Low | 66 Ų | 66 | 113.6 Ų | 113.6 | 68% | 0.68 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -110.1 | 3.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | K137 | K137-G140 PolarHBondContact O-N 3.45Š|
| 141 | G | 35.8 | Very low | 50.9 | Low | 55 Ų | 55 | 116.7 Ų | 116.7 | 57% | 0.567 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -81.5 | 144.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 142 | P | 39.1 | Very low | 48.3 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 86% | 0.857 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 140.6 | 173.3 | 30.5 | -34 | 0 | 0 | 0 | 111.4 | R144 | P142-R144 PolarHBondContact O-N 2.77Š|
| 143 | D | 41.9 | Very low | 45.7 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 89% | 0.893 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 129.1 | -178.9 | -70.5 | -63.3 | 0 | 0 | 0 | 113.3 | ||
| 144 | R | 31.3 | Very low | 43.3 | Very low | 206 Ų | 206 | 145.8 Ų | 145.8 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | trans | -157.7 | 144.8 | 150.7 | -139.2 | 174.6 | 179.8 | -138.8 | -6.6 | 115.3 | P142 | P142-R144 PolarHBondContact O-N 2.77Š| ||
| 145 | W | 30.9 | Very low | 41 | Very low | 219 Ų | 219 | 155.8 Ų | 155.8 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | trans | 84 | 145.4 | 173.4 | -58.2 | 91.6 | 0 | 0 | 0 | 117.1 | ||||
| 146 | K | 33.4 | Very low | 38.8 | Very low | 196 Ų | 196 | 154 Ų | 154 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | trans | -99.2 | 157.4 | -158 | -68.9 | 178 | 173.5 | 179.6 | 0 | 112.9 | ||||
| 147 | E | 35.7 | Very low | 37 | Very low | 191 Ų | 191 | 162 Ų | 162 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -61.8 | 133.6 | 160 | -63.6 | 179.5 | 115.6 | 0 | 0 | 111.3 | ||||
| 148 | T | 30.2 | Very low | 35.1 | Very low | 144 Ų | 144 | 162.4 Ų | 162.4 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | trans | -153.8 | 126.6 | 152 | 16 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 149 | G | 30.3 | Very low | 34 | Very low | 76 Ų | 76 | 167.7 Ų | 167.7 | 78% | 0.784 | 84% | 0.84 | S | S | * | * | S | Bend | trans | 95.7 | 103.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 150 | S | 30.1 | Very low | 33.3 | Very low | 138 Ų | 138 | 161 Ų | 161 | 97% | 0.965 | 83% | 0.828 | S | S | * | * | trans | 57.4 | 138.8 | 146 | -159 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 151 | G | 28.9 | Very low | 33 | Very low | 65 Ų | 65 | 168.3 Ų | 168.3 | 67% | 0.67 | 84% | 0.841 | S | S | * | * | trans | 125.7 | 26.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 120 | R153 | G151-R153 PolarHBondContact O-N 3.46Š| ||
| 152 | R | 31.3 | Very low | 32.9 | Very low | 255 Ų | 255 | 168.2 Ų | 168.2 | 96% | 0.962 | 84% | 0.84 | S | S | * | * | trans | -65 | 95.4 | 171.9 | -83.5 | -172.1 | 176.6 | 175.9 | 1.7 | 112.4 | ||||
| 153 | R | 30.5 | Very low | 32.8 | Very low | 241 Ų | 241 | 167.5 Ų | 167.5 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -101.2 | 127.8 | 154.7 | -72.9 | -168.4 | 177.7 | -167.7 | 0.8 | 109.9 | G151 | G151-R153 PolarHBondContact O-N 3.46Š| ||
| 154 | R | 35 | Very low | 32.6 | Very low | 238 Ų | 238 | 164.7 Ų | 164.7 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -80.4 | 138.3 | 176.3 | -64.4 | 173.5 | 178.4 | 156 | -1.9 | 109.7 | ||||
| 155 | Y | 31.1 | Very low | 32.8 | Very low | 233 Ų | 233 | 158.1 Ų | 158.1 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | trans | -122.7 | 155.4 | 143.8 | -92.4 | -86.1 | 0 | 0 | 0 | 109.7 | R157 | Y155-R157 PolarHBondContact O-N 3.39Š| ||
| 156 | G | 28.4 | Very low | 33.1 | Very low | 78 Ų | 78 | 150.8 Ų | 150.8 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -71.1 | 122.8 | -152.4 | 0 | 0 | 0 | 0 | 0 | 116 | A158 | G156-A158 PolarHBondContact O-N 2.86Š| ||
| 157 | R | 33.8 | Very low | 33.6 | Very low | 257 Ų | 257 | 146.8 Ų | 146.8 | 97% | 0.97 | 76% | 0.755 | S | S | * | * | trans | -89 | 80.3 | 168.7 | -167.8 | -172.9 | -163.2 | -178.6 | 7.9 | 110.8 | Y155 | Y155-R157 PolarHBondContact O-N 3.39Š| ||
| 158 | A | 30.1 | Very low | 33.8 | Very low | 91 Ų | 91 | 147.1 Ų | 147.1 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | -103.4 | 146.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G156 | G156-A158 PolarHBondContact O-N 2.86Š| ||
| 159 | R | 35.6 | Very low | 34.3 | Very low | 248 Ų | 248 | 149.1 Ų | 149.1 | 94% | 0.936 | 74% | 0.74 | S | S | * | * | trans | 46.6 | 91.8 | 172.3 | -88.6 | -178.7 | 163.6 | 175.1 | -4.4 | 117.5 | ||||
| 160 | S | 36.2 | Very low | 34.8 | Very low | 86 Ų | 86 | 147.3 Ų | 147.3 | 60% | 0.601 | 72% | 0.715 | S | S | * | * | trans | -151.8 | 86.6 | 147.8 | -163.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 161 | K | 33.2 | Very low | 35.5 | Very low | 219 Ų | 219 | 147 Ų | 147 | 95% | 0.952 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -118.6 | -11.5 | 162.5 | -93 | -172.4 | 174 | -178.1 | 0 | 113.9 | ||
| 162 | G | 33.5 | Very low | 36.2 | Very low | 53 Ų | 53 | 146.1 Ų | 146.1 | 55% | 0.546 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -94.4 | -31.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | N164 A165 | G162-N164 VanDerWaalsContact C-N 3.28Å; G162-N164 PolarHBondContact O-N 3.25Å; G162-N164 VanDerWaalsContact O-N 3.11Å; G162-A165 PolarHBondContact O-N 3.18Å |
| 163 | F | 38 | Very low | 36.7 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 51% | 0.509 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -55.8 | -35.4 | -170.2 | -91.8 | -90.9 | 0 | 0 | 0 | 114.7 | H26 A165 N166 R167 | H26-F163 AromaticContact NE2-CE1 3.82Å; F163-A165 PolarHBondContact O-N 2.88Å; F163-N166 PolarHBondContact O-N 3.45Å; F163-R167 WeakPolarHBondContact O-CB 3.5Å; F163-R167 PolarHBondContact O-N 3.05Å |
| 164 | N | 37.7 | Very low | 37.4 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 58% | 0.578 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.1 | -18.7 | -174.9 | -75 | -26.2 | 0 | 0 | 0 | 114.2 | G162 R168 | G162-N164 VanDerWaalsContact C-N 3.28Å; G162-N164 PolarHBondContact O-N 3.25Å; G162-N164 VanDerWaalsContact O-N 3.11Å; N164-R168 WeakPolarHBondContact O-CG 3.49Å |
| 165 | A | 35.7 | Very low | 38 | Very low | 68 Ų | 68 | 122.3 Ų | 122.3 | 56% | 0.562 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -77.3 | -54.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G162 F163 R167 R168 R169 | G162-A165 PolarHBondContact O-N 3.18Å; F163-A165 PolarHBondContact O-N 2.88Å; A165-R167 VanDerWaalsContact C-N 3.3Å; A165-R167 PolarHBondContact O-N 3.49Å; A165-R168 WeakPolarHBondContact O-CB 3.45Å; A165-R168 PolarHBondContact O-N 3.15Å; A165-R168 VanDerWaalsContact O-N 3.08Å; A165-R169 PolarHBondContact O-N 3.12Å |
| 166 | N | 35.7 | Very low | 38.6 | Very low | 65 Ų | 65 | 117.5 Ų | 117.5 | 35% | 0.348 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.1 | -37.1 | 179.2 | -78.3 | 18 | 0 | 0 | 0 | 112.4 | T25 F163 R168 R169 S170 | T25-N166 PolarHBondContact OG1-ND2 3.14Å; F163-N166 PolarHBondContact O-N 3.45Å; N166-R168 PolarHBondContact O-N 2.86Å; N166-R169 CarbonylContact O-C 3.55Å; N166-R169 WeakPolarHBondContact O-CA 3.5Å; N166-R169 WeakPolarHBondContact O-CB 3.28Å; N166-R169 PolarHBondContact O-N 3.45Å; N166-S170 PolarHBondContact O-N 3.38Å; N166-S170 PolarHBondContact O-OG 3.49Å |
| 167 | R | 44 | Very low | 39.2 | Very low | 113 Ų | 113 | 115.7 Ų | 115.7 | 43% | 0.426 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.2 | -22.3 | 177.1 | -159.5 | 177.6 | -167.6 | 178.3 | 7.3 | 114 | E135 F163 A165 | E135-R167 IonicContact OE2-CZ 3.27Å; E135-R167 IonicContact OE2-NH1 2.62Å; E135-R167 PolarHBondContact OE2-NH1 3.48Å; E135-R167 IonicContact OE2-NH2 2.79Å; E135-R167 PolarHBondContact OE2-NH2 3.36Å; F163-R167 WeakPolarHBondContact O-CB 3.5Å; F163-R167 PolarHBondContact O-N 3.05Å; A165-R167 VanDerWaalsContact C-N 3.3Å; A165-R167 PolarHBondContact O-N 3.49Å |
| 168 | R | 40.8 | Very low | 39.7 | Very low | 198 Ų | 198 | 105.2 Ų | 105.2 | 75% | 0.747 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -80 | -34.5 | 169 | -68.4 | 174.3 | 179.3 | -165.7 | -0.8 | 111.4 | N164 A165 N166 R171 A172 | N164-R168 WeakPolarHBondContact O-CG 3.49Å; A165-R168 WeakPolarHBondContact O-CB 3.45Å; A165-R168 PolarHBondContact O-N 3.15Å; A165-R168 VanDerWaalsContact O-N 3.08Å; N166-R168 PolarHBondContact O-N 2.86Å; R168-R171 WeakPolarHBondContact O-CB 3.31Å; R168-A172 PolarHBondContact O-N 3.13Å; R168-A172 VanDerWaalsContact O-N 3.12Å |
| 169 | R | 39.6 | Very low | 40.1 | Very low | 185 Ų | 185 | 103.4 Ų | 103.4 | 70% | 0.698 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.4 | -44.9 | 178.5 | -146.5 | 178.1 | -164.3 | -174 | 3.9 | 112.7 | A165 N166 R171 A172 V173 | A165-R169 PolarHBondContact O-N 3.12Å; N166-R169 CarbonylContact O-C 3.55Å; N166-R169 WeakPolarHBondContact O-CA 3.5Å; N166-R169 WeakPolarHBondContact O-CB 3.28Å; N166-R169 PolarHBondContact O-N 3.45Å; R169-R171 VanDerWaalsContact C-N 3.29Å; R169-R171 PolarHBondContact O-N 2.79Å; R169-A172 WeakPolarHBondContact O-CB 3.33Å; R169-A172 PolarHBondContact O-N 3.13Å; R169-V173 PolarHBondContact O-N 2.89Å; R169-V173 VanDerWaalsContact O-N 3.11Å |
| 170 | S | 40.8 | Very low | 40.3 | Very low | 38 Ų | 38 | 98.8 Ų | 98.8 | 27% | 0.266 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.1 | -25.4 | 175.2 | 63.6 | 0 | 0 | 0 | 0 | 113.1 | N166 L174 | N166-S170 PolarHBondContact O-N 3.38Å; N166-S170 PolarHBondContact O-OG 3.49Å; S170-L174 PolarHBondContact O-N 2.73Å |
| 171 | R | 45 | Very low | 40.2 | Very low | 132 Ų | 132 | 101.9 Ų | 101.9 | 50% | 0.498 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -51.8 | 162.5 | -89.9 | 174.4 | 66.4 | 122.4 | 0.5 | 111 | R168 R169 V173 L174 Y175 | R168-R171 WeakPolarHBondContact O-CB 3.31Å; R169-R171 VanDerWaalsContact C-N 3.29Å; R169-R171 PolarHBondContact O-N 2.79Å; R171-V173 PolarHBondContact O-N 3.48Å; R171-L174 PolarHBondContact O-N 3.26Å; R171-Y175 HydrophobicContact CB-CD2 4.11Å; R171-Y175 HydrophobicContact CB-CE2 3.89Å; R171-Y175 HydrophobicContact CG-CE2 4.16Å; R171-Y175 PolarHBondContact NH2-OH 3.29Å; R171-Y175 VanDerWaalsContact NH2-OH 3.15Å; R171-Y175 WeakPolarHBondContact O-CD2 3.48Å; R171-Y175 PolarHBondContact O-N 3.03Å |
| 172 | A | 43.2 | Very low | 40.3 | Very low | 47 Ų | 47 | 98.9 Ų | 98.9 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.8 | -40.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | R168 R169 Y175 H176 | R168-A172 PolarHBondContact O-N 3.13Å; R168-A172 VanDerWaalsContact O-N 3.12Å; R169-A172 WeakPolarHBondContact O-CB 3.33Å; R169-A172 PolarHBondContact O-N 3.13Å; A172-Y175 PolarHBondContact O-N 2.77Å; A172-H176 PolarHBondContact O-N 3.04Å |
| 173 | V | 43.6 | Very low | 40.4 | Very low | 58 Ų | 58 | 106.1 Ų | 106.1 | 35% | 0.352 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 177.4 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | R169 R171 H176 L177 | R169-V173 PolarHBondContact O-N 2.89Å; R169-V173 VanDerWaalsContact O-N 3.11Å; R171-V173 PolarHBondContact O-N 3.48Å; V173-H176 PolarHBondContact O-N 3.23Å; V173-L177 HydrophobicContact CG1-CD1 4.16Å; V173-L177 PolarHBondContact O-N 3.26Å |
| 174 | L | 44.7 | Very low | 40 | Very low | 32 Ų | 32 | 107.8 Ų | 107.8 | 17% | 0.168 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -67.3 | -33.6 | 175.7 | -80.7 | 163.4 | 0 | 0 | 0 | 113 | K131 S170 R171 L177 S178 | K131-L174 HydrophobicContact CD-CD1 3.95Å; S170-L174 PolarHBondContact O-N 2.73Å; R171-L174 PolarHBondContact O-N 3.26Å; L174-L177 PolarHBondContact O-N 3.26Å; L174-S178 WeakPolarHBondContact O-CB 3.36Å; L174-S178 PolarHBondContact O-N 2.95Å |
| 175 | Y | 47 | Very low | 39.8 | Very low | 143 Ų | 143 | 107.5 Ų | 107.5 | 56% | 0.561 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.7 | -34 | 172.7 | -75.9 | -56.7 | 0 | 0 | 0 | 112.6 | R171 A172 | R171-Y175 HydrophobicContact CB-CD2 4.11Å; R171-Y175 HydrophobicContact CB-CE2 3.89Å; R171-Y175 HydrophobicContact CG-CE2 4.16Å; R171-Y175 PolarHBondContact NH2-OH 3.29Å; R171-Y175 VanDerWaalsContact NH2-OH 3.15Å; R171-Y175 WeakPolarHBondContact O-CD2 3.48Å; R171-Y175 PolarHBondContact O-N 3.03Å; A172-Y175 PolarHBondContact O-N 2.77Å |
| 176 | H | 44.6 | Very low | 39.9 | Very low | 132 Ų | 132 | 114.7 Ų | 114.7 | 61% | 0.611 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.4 | -43.8 | 172.6 | -101.7 | -84.1 | 0 | 0 | 0 | 112.3 | A172 V173 P200 | A172-H176 PolarHBondContact O-N 3.04Å; V173-H176 PolarHBondContact O-N 3.23Å; H176-P200 HydrophobicContact CB-CG 4.37Å; H176-P200 WeakPolarHBondContact O-CG 3.29Å |
| 177 | L | 41.2 | Very low | 39.6 | Very low | 40 Ų | 40 | 115 Ų | 115 | 21% | 0.209 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -70.6 | -43.9 | 180 | -73.6 | 167.9 | 0 | 0 | 0 | 112.7 | F22 V173 L174 G179 L202 | F22-L177 HydrophobicContact CE1-CD1 4.23Å; F22-L177 HydrophobicContact CE2-CD1 4.39Å; F22-L177 HydrophobicContact CZ-CD1 3.7Å; V173-L177 HydrophobicContact CG1-CD1 4.16Å; V173-L177 PolarHBondContact O-N 3.26Å; L174-L177 PolarHBondContact O-N 3.26Å; L177-G179 VanDerWaalsContact C-N 3.29Å; L177-G179 PolarHBondContact O-N 3.33Å; L177-L202 HydrophobicContact CD2-CD2 4.02Å |
| 178 | S | 43.3 | Very low | 39.3 | Very low | 38 Ų | 38 | 119.6 Ų | 119.6 | 27% | 0.266 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.5 | -10.1 | -169.7 | -173.7 | 0 | 0 | 0 | 0 | 115.1 | K94 L174 H180 | K94-S178 PolarHBondContact NZ-OG 3.31Å; L174-S178 WeakPolarHBondContact O-CB 3.36Å; L174-S178 PolarHBondContact O-N 2.95Å; S178-H180 PolarHBondContact O-N 3.25Å |
| 179 | G | 38.9 | Very low | 38.8 | Very low | 52 Ų | 52 | 119.2 Ų | 119.2 | 54% | 0.536 | 60% | 0.596 | S | S | . | * | trans | 63.6 | -22.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | L177 | L177-G179 VanDerWaalsContact C-N 3.29Å; L177-G179 PolarHBondContact O-N 3.33Å | ||
| 180 | H | 39.9 | Very low | 38.8 | Very low | 152 Ų | 152 | 120.5 Ų | 120.5 | 70% | 0.704 | 61% | 0.607 | S | S | * | * | trans | -161.3 | 119 | -174.8 | -125 | 57.8 | 0 | 0 | 0 | 112.7 | S178 | S178-H180 PolarHBondContact O-N 3.25Š| ||
| 181 | L | 34.2 | Very low | 38.5 | Very low | 150 Ų | 150 | 126.8 Ų | 126.8 | 79% | 0.785 | 64% | 0.636 | S | S | * | * | -179.9 | 130.1 | 115.8 | -122.7 | 68.1 | 0 | 0 | 0 | 110.6 | |||||
| 182 | Q | 33.9 | Very low | 37.6 | Very low | 156 Ų | 156 | 127.8 Ų | 127.8 | 73% | 0.729 | 65% | 0.652 | S | S | * | * | 172.9 | 108.8 | 100.7 | -172.1 | 162.8 | 23 | 0 | 0 | 109.8 | Q184 | Q182-Q184 HydrophobicContact CG-CG 4.4Å; Q182-Q184 PolarHBondContact O-N 2.9Å | |||
| 183 | K | 36.1 | Very low | 37.1 | Very low | 206 Ų | 206 | 135.6 Ų | 135.6 | 90% | 0.896 | 68% | 0.677 | S | S | * | * | trans | -76.6 | 117.5 | 164.5 | -76.4 | 179.8 | 178.2 | 173.6 | 0 | 108.5 | ||||
| 184 | Q | 29.5 | Very low | 36.4 | Very low | 150 Ų | 150 | 136 Ų | 136 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | trans | -109 | 155.7 | 155.6 | -79.9 | -74 | 2.2 | 0 | 0 | 108.1 | Q182 | Q182-Q184 HydrophobicContact CG-CG 4.4Å; Q182-Q184 PolarHBondContact O-N 2.9Å | ||
| 185 | P | 33.6 | Very low | 35.8 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 66% | 0.662 | 72% | 0.721 | S | S | * | * | trans | -84 | 146.7 | -159.3 | 31.7 | -35.7 | 0 | 0 | 0 | 115.2 | ||||
| 186 | K | 38.2 | Very low | 35 | Very low | 219 Ų | 219 | 143.3 Ų | 143.3 | 95% | 0.952 | 74% | 0.737 | S | S | * | * | trans | 47.6 | 71.7 | 152.1 | -63.3 | -177.3 | 178.3 | 177.7 | 0 | 117.7 | ||||
| 187 | G | 28.6 | Very low | 34.2 | Very low | 73 Ų | 73 | 140.5 Ų | 140.5 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | trans | -119.2 | 126.5 | 152 | 0 | 0 | 0 | 0 | 0 | 110.6 | H189 | G187-H189 PolarHBondContact O-N 2.68Š| ||
| 188 | K | 38.8 | Very low | 33.8 | Very low | 209 Ų | 209 | 147.4 Ų | 147.4 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | -83 | 94.3 | -176.2 | -74.5 | -177.4 | 179.9 | 175.5 | 0 | 112.1 | ||||
| 189 | H | 30.7 | Very low | 33.4 | Very low | 189 Ų | 189 | 154.1 Ų | 154.1 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | trans | -140.6 | 124.6 | 153.3 | -92.2 | -86.7 | 0 | 0 | 0 | 110.8 | G187 | G187-H189 PolarHBondContact O-N 2.68Š| ||
| 190 | K | 38.5 | Very low | 33.7 | Very low | 213 Ų | 213 | 154.4 Ų | 154.4 | 93% | 0.926 | 79% | 0.791 | S | S | * | * | trans | -73 | 123.9 | 164.7 | -80.4 | -179.1 | 173.6 | 178.8 | 0 | 107.8 | ||||
| 191 | L | 35.4 | Very low | 34.3 | Very low | 169 Ų | 169 | 153.3 Ų | 153.3 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | -120.1 | 145.5 | 161.3 | -151.5 | 75.8 | 0 | 0 | 0 | 109.4 | ||||
| 192 | N | 26.6 | Very low | 35.5 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -76.8 | 139.6 | -164.9 | -158.2 | -1.5 | 0 | 0 | 0 | 112.4 | G194 | N192-G194 PolarHBondContact O-N 2.82Š| ||
| 193 | K | 31.1 | Very low | 36.9 | Very low | 211 Ų | 211 | 142.5 Ų | 142.5 | 92% | 0.917 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -97.7 | 33.8 | -159.1 | -154.7 | -169.6 | 177.3 | -169.9 | 0 | 114.1 | ||
| 194 | G | 30.2 | Very low | 38.3 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -140.5 | 10.8 | -164 | 0 | 0 | 0 | 0 | 0 | 118.6 | N192 | N192-G194 PolarHBondContact O-N 2.82Š|
| 195 | V | 32.1 | Very low | 39.9 | Very low | 124 Ų | 124 | 133 Ų | 133 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -126.6 | -10.1 | -170.8 | -174.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 196 | F | 28.8 | Very low | 41.4 | Very low | 204 Ų | 204 | 131.3 Ų | 131.3 | 90% | 0.895 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -116.9 | 103.9 | -174.7 | -83 | -83.2 | 0 | 0 | 0 | 114.1 | ||
| 197 | G | 29.6 | Very low | 42.2 | Very low | 72 Ų | 72 | 124.2 Ų | 124.2 | 74% | 0.742 | 65% | 0.652 | S | S | * | * | trans | 77.4 | 112.8 | 148.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 198 | E | 31.6 | Very low | 43.4 | Very low | 185 Ų | 185 | 122.3 Ų | 122.3 | 86% | 0.864 | 63% | 0.63 | S | S | * | * | trans | -57 | 149 | 150.2 | -61.9 | -177.1 | 123.9 | 0 | 0 | 109.8 | ||||
| 199 | K | 34.9 | Very low | 44 | Very low | 180 Ų | 180 | 116 Ų | 116 | 78% | 0.783 | 62% | 0.617 | S | S | * | * | trans | -59 | 128.7 | 167.5 | -74.1 | -174 | 174.1 | -171.3 | 0 | 108.2 | N201 | K199-N201 PolarHBondContact O-N 3.25Š| ||
| 200 | P | 45.1 | Very low | 45.1 | Very low | 57 Ų | 57 | 109.9 Ų | 109.9 | 37% | 0.37 | 59% | 0.59 | S | S | . | * | trans | -68.5 | 108.6 | 179.1 | 27.1 | -32.3 | 0 | 0 | 0 | 109.1 | H176 L202 | H176-P200 HydrophobicContact CB-CG 4.37Å; H176-P200 WeakPolarHBondContact O-CG 3.29Å; P200-L202 PolarHBondContact O-N 2.92Å; P200-L202 VanDerWaalsContact O-N 3.16Å | ||
| 201 | N | 53.3 | Low | 45.8 | Very low | 129 Ų | 129 | 110 Ų | 110 | 69% | 0.69 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 124.4 | 179.8 | -70 | -32 | 0 | 0 | 0 | 110.5 | R21 K199 | R21-N201 PolarHBondContact NH1-O 3.44Å; R21-N201 VanDerWaalsContact NH1-O 3.09Å; K199-N201 PolarHBondContact O-N 3.25Å |
| 202 | L | 58.9 | Low | 46.7 | Very low | 62 Ų | 62 | 111.3 Ų | 111.3 | 33% | 0.325 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 146.4 | 173.1 | -75.2 | 165.7 | 0 | 0 | 0 | 109.3 | I114 L177 P200 E204 | I114-L202 HydrophobicContact CG2-CD1 3.62Å; I114-L202 HydrophobicContact CG2-CD2 3.91Å; I114-L202 HydrophobicContact CG2-CG 4.44Å; L177-L202 HydrophobicContact CD2-CD2 4.02Å; P200-L202 PolarHBondContact O-N 2.92Å; P200-L202 VanDerWaalsContact O-N 3.16Å; L202-E204 PolarHBondContact O-N 3.33Å; L202-E204 VanDerWaalsContact O-N 3.15Å |
| 203 | P | 62.3 | Low | 48.5 | Very low | 18 Ų | 18 | 106.6 Ų | 106.6 | 12% | 0.117 | 56% | 0.562 | C | S | . | * | P | Polyproline II helix | trans | -63.9 | 118.4 | 170.6 | 28.8 | -31.5 | 0 | 0 | 0 | 108.1 | F14 T17 I18 I116 | F14-P203 HydrophobicContact CD2-CB 4.18Å; F14-P203 HydrophobicContact CE2-CB 4.25Å; F14-P203 HydrophobicContact CE2-CG 4.36Å; T17-P203 HydrophobicContact CG2-CB 4.1Å; I18-P203 HydrophobicContact CD1-CG 4.35Å; I18-P203 HydrophobicContact CG1-CG 3.88Å; I116-P203 WeakPolarHBondContact CG2-O 3.5Å |
| 204 | E | 66.2 | Low | 50.2 | Low | 68 Ų | 68 | 102.1 Ų | 102.1 | 32% | 0.318 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -75.8 | 137.1 | 172.7 | -165.2 | 169.5 | -145.1 | 0 | 0 | 108.3 | F14 K117 L202 K206 | F14-E204 WeakPolarHBondContact CD2-O 3.48Å; K117-E204 CarbonylContact O-C 3.58Å; K117-E204 WeakPolarHBondContact O-CA 3.49Å; K117-E204 VanDerWaalsContact O-CG 3.24Å; K117-E204 WeakPolarHBondContact O-CG 3.49Å; L202-E204 PolarHBondContact O-N 3.33Å; L202-E204 VanDerWaalsContact O-N 3.15Å; E204-K206 HydrophobicContact CB-CD 4.3Å; E204-K206 HydrophobicContact CB-CG 4.21Å; E204-K206 HydrophobicContact CG-CD 4.34Å; E204-K206 HydrophobicContact CG-CG 4.45Å; E204-K206 PolarHBondContact O-N 2.78Å; E204-K206 WeakPolarHBondContact OE2-CD 3.38Å; E204-K206 WeakPolarHBondContact OE2-CE 3.49Å; E204-K206 IonicContact OE2-NZ 3.07Å; E204-K206 PolarHBondContact OE2-NZ 3.08Å |
| 205 | Y | 64.3 | Low | 52.5 | Low | 87 Ų | 87 | 106.2 Ų | 106.2 | 34% | 0.341 | 55% | 0.553 | S | S | . | * | B | Isolated β-bridge | trans | -74.3 | 92.2 | 173.7 | -179.3 | -98.3 | 0 | 0 | 0 | 108.3 | F14 K117 N118 A124 L125 | F14-Y205 HydrophobicContact CB-CD2 4.44Å; F14-Y205 AromaticContact CD1-CD2 3.65Å; F14-Y205 HydrophobicContact CD1-CD2 3.65Å; F14-Y205 HydrophobicContact CD1-CE2 4.21Å; F14-Y205 HydrophobicContact CD2-CD2 4.28Å; F14-Y205 AromaticContact CE1-CD2 3.84Å; F14-Y205 HydrophobicContact CE1-CD2 3.84Å; F14-Y205 HydrophobicContact CE2-CD2 4.45Å; F14-Y205 AromaticContact CG-CD2 3.87Å; F14-Y205 HydrophobicContact CG-CD2 3.87Å; F14-Y205 HydrophobicContact CZ-CD2 4.23Å; K117-Y205 PolarHBondContact O-N 3.42Å; N118-Y205 WeakPolarHBondContact CA-O 3.29Å; N118-Y205 PolarHBondContact OD1-O 2.63Å; N118-Y205 VanDerWaalsContact OD1-O 3.07Å; A124-Y205 HydrophobicContact CB-CD1 4.3Å; L125-Y205 HydrophobicContact CD1-CD2 3.46Å; L125-Y205 VanDerWaalsContact CD1-CD2 3.46Å; L125-Y205 HydrophobicContact CD1-CE2 3.97Å; L125-Y205 HydrophobicContact CD1-CG 3.93Å; L125-Y205 HydrophobicContact CG-CD2 4.41Å; L125-Y205 HydrophobicContact CG-CG 4.47Å |
| 206 | K | 64.6 | Low | 55 | Low | 68 Ų | 68 | 101.8 Ų | 101.8 | 30% | 0.296 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -144.5 | 153.2 | -174.5 | 64.7 | 171.4 | 165.2 | -161.4 | 0 | 114.3 | N12 E119 E204 A208 | N12-K206 PolarHBondContact OD1-O 3.15Å; E119-K206 HydrophobicContact CG-CB 3.3Å; E119-K206 HydrophobicContact CG-CD 3.93Å; E119-K206 HydrophobicContact CG-CG 4.35Å; E119-K206 VanDerWaalsContact OE1-CB 3.3Å; E119-K206 WeakPolarHBondContact OE1-CB 3.29Å; E204-K206 HydrophobicContact CB-CD 4.3Å; E204-K206 HydrophobicContact CB-CG 4.21Å; E204-K206 HydrophobicContact CG-CD 4.34Å; E204-K206 HydrophobicContact CG-CG 4.45Å; E204-K206 PolarHBondContact O-N 2.78Å; E204-K206 WeakPolarHBondContact OE2-CD 3.38Å; E204-K206 WeakPolarHBondContact OE2-CE 3.49Å; E204-K206 IonicContact OE2-NZ 3.07Å; E204-K206 PolarHBondContact OE2-NZ 3.08Å; K206-A208 PolarHBondContact O-N 3.45Å |
| 207 | V | 55.2 | Low | 57.6 | Low | 69 Ų | 69 | 94.8 Ų | 94.8 | 42% | 0.418 | 50% | 0.497 | S | S | . | . | trans | -70.1 | 100.9 | 168.3 | 175.3 | 0 | 0 | 0 | 0 | 106.2 | P10 N12 E119 A209 | P10-V207 HydrophobicContact CB-CG1 3.78Å; P10-V207 HydrophobicContact CG-CG1 4.17Å; N12-V207 VanDerWaalsContact OD1-CA 3.24Å; N12-V207 WeakPolarHBondContact OD1-CA 3.39Å; N12-V207 WeakPolarHBondContact OD1-CG2 3.17Å; N12-V207 PolarHBondContact OD1-N 3.31Å; E119-V207 PolarHBondContact OE1-N 3.04Å; V207-A209 PolarHBondContact O-N 3.27Å | ||
| 208 | A | 52.2 | Low | 60.3 | Low | 34 Ų | 34 | 94.2 Ų | 94.2 | 28% | 0.281 | 48% | 0.476 | S | S | . | . | trans | -73.5 | 76.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K206 I210 | K206-A208 PolarHBondContact O-N 3.45Å; A208-I210 PolarHBondContact O-N 2.71Å | ||
| 209 | A | 51.3 | Low | 62.7 | Low | 77 Ų | 77 | 86.4 Ų | 86.4 | 64% | 0.636 | 44% | 0.439 | S | S | * | . | trans | -46.8 | 112 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | V207 R211 | V207-A209 PolarHBondContact O-N 3.27Å; A209-R211 PolarHBondContact O-N 3.06Å | ||
| 210 | I | 54.8 | Low | 64.9 | Low | 60 Ų | 60 | 80 Ų | 80 | 31% | 0.308 | 42% | 0.417 | S | S | . | . | trans | -52.1 | 117.6 | -161.9 | -61 | 169.1 | 0 | 0 | 0 | 108.5 | L8 A208 K212 F293 | L8-I210 HydrophobicContact CD2-CD1 3.84Å; A208-I210 PolarHBondContact O-N 2.71Å; I210-K212 PolarHBondContact O-N 3.49Å; I210-F293 HydrophobicContact CD1-CE2 4.11Å; I210-F293 HydrophobicContact CD1-CZ 4.16Å; I210-F293 HydrophobicContact CG2-CD1 4.24Å; I210-F293 HydrophobicContact CG2-CD2 3.99Å; I210-F293 HydrophobicContact CG2-CE1 3.97Å; I210-F293 HydrophobicContact CG2-CE2 3.7Å; I210-F293 HydrophobicContact CG2-CG 4.26Å; I210-F293 HydrophobicContact CG2-CZ 3.7Å | ||
| 211 | R | 53.5 | Low | 66.6 | Low | 215 Ų | 215 | 78.4 Ų | 78.4 | 81% | 0.811 | 41% | 0.41 | S | S | * | . | trans | -59.2 | 96.8 | -174.1 | -86 | -174.1 | 166.9 | -171.1 | -4.4 | 109.8 | A209 S213 | A209-R211 PolarHBondContact O-N 3.06Å; R211-S213 PolarHBondContact O-N 2.9Å | ||
| 212 | K | 53.3 | Low | 68.1 | Low | 196 Ų | 196 | 76 Ų | 76 | 85% | 0.852 | 41% | 0.409 | S | S | * | . | trans | -65.1 | 83 | 173.9 | -62 | 179.6 | -173.9 | 173.3 | 0 | 108.4 | I210 | I210-K212 PolarHBondContact O-N 3.49Š| ||
| 213 | S | 65.4 | Low | 69.4 | Low | 54 Ų | 54 | 79.9 Ų | 79.9 | 38% | 0.378 | 43% | 0.429 | S | S | . | . | trans | -57.2 | 123 | 167.5 | 54.2 | 0 | 0 | 0 | 0 | 107.4 | R211 F215 I216 | R211-S213 PolarHBondContact O-N 2.9Å; S213-F215 PolarHBondContact O-N 3.16Å; S213-I216 PolarHBondContact O-N 2.95Å; S213-I216 VanDerWaalsContact O-N 3.11Å; S213-I216 WeakPolarHBondContact OG-CD1 3.27Å; S213-I216 WeakPolarHBondContact OG-CG1 3.45Å | ||
| 214 | P | 67.2 | Low | 70.6 | Confident | 117 Ų | 117 | 79.9 Ų | 79.9 | 76% | 0.76 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -10.1 | -163.4 | 21.9 | -33.5 | 0 | 0 | 0 | 114.8 | ||
| 215 | F | 77.3 | Confident | 71.5 | Confident | 154 Ų | 154 | 78.9 Ų | 78.9 | 68% | 0.675 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | 32.4 | 179.9 | -51.5 | -72.8 | 0 | 0 | 0 | 113.5 | S213 R281 | S213-F215 PolarHBondContact O-N 3.16Å; F215-R281 VanDerWaalsContact CB-NH1 3.25Å; F215-R281 PolarHBondContact O-NH1 3.43Å |
| 216 | I | 84.1 | Confident | 72.6 | Confident | 31 Ų | 31 | 78.6 Ų | 78.6 | 16% | 0.159 | 44% | 0.438 | C | S | . | . | trans | -132.2 | 126.7 | 169.9 | -64 | -172.5 | 0 | 0 | 0 | 109.6 | S213 R281 T283 F293 P295 I298 | S213-I216 PolarHBondContact O-N 2.95Å; S213-I216 VanDerWaalsContact O-N 3.11Å; S213-I216 WeakPolarHBondContact OG-CD1 3.27Å; S213-I216 WeakPolarHBondContact OG-CG1 3.45Å; I216-R281 CarbonylContact C-O 3.56Å; I216-R281 WeakPolarHBondContact CA-O 3.38Å; I216-R281 WeakPolarHBondContact CG2-O 3.41Å; I216-T283 HydrophobicContact CG2-CG2 3.76Å; I216-F293 WeakPolarHBondContact CD1-O 3.25Å; I216-P295 HydrophobicContact CD1-CB 4.42Å; I216-I298 HydrophobicContact CD1-CD1 4.43Å; I216-I298 HydrophobicContact CG2-CD1 4.39Å | ||
| 217 | L | 85.4 | Confident | 73.9 | Confident | 58 Ų | 58 | 77.6 Ų | 77.6 | 30% | 0.304 | 43% | 0.432 | S | S | . | . | B | Isolated β-bridge | trans | -94.8 | 137.2 | -179.7 | -69.2 | 174.3 | 0 | 0 | 0 | 111.3 | L278 R281 T282 T283 | L217-L278 HydrophobicContact CD1-CB 4.45Å; L217-L278 HydrophobicContact CD1-CD2 3.97Å; L217-R281 PolarHBondContact N-O 2.93Å; L217-T282 CarbonylContact O-C 3.59Å; L217-T282 WeakPolarHBondContact O-CA 3.23Å; L217-T283 PolarHBondContact O-N 3.1Å |
| 218 | L | 84.8 | Confident | 75.4 | Confident | 60 Ų | 60 | 75 Ų | 75 | 31% | 0.314 | 42% | 0.415 | S | S | . | . | trans | -82.7 | 131 | 175.9 | -171.8 | 68.8 | 0 | 0 | 0 | 110.6 | L8 C220 G221 T283 V291 F293 | L8-L218 HydrophobicContact CD1-CD2 4.34Å; L8-L218 HydrophobicContact CD2-CD1 4.26Å; L218-C220 PolarHBondContact O-N 2.88Å; L218-C220 VanDerWaalsContact O-N 3.12Å; L218-G221 PolarHBondContact O-N 2.66Å; L218-T283 HydrophobicContact CD1-CG2 4.23Å; L218-V291 HydrophobicContact CD1-CG1 4.18Å; L218-F293 HydrophobicContact CD1-CE1 4.18Å; L218-F293 HydrophobicContact CD1-CZ 4.21Å | ||
| 219 | H | 83.4 | Confident | 77.1 | Confident | 20 Ų | 20 | 74.8 Ų | 74.8 | 9% | 0.093 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22.3 | -179.7 | 64.8 | -74.9 | 0 | 0 | 0 | 115 | R5 T282 T283 V285 R351 | R5-H219 PolarHBondContact O-CE1 3.32Å; R5-H219 PolarHBondContact O-NE2 3.3Å; H219-T282 HydrophobicContact CB-CG2 4.29Å; H219-T283 WeakPolarHBondContact CB-O 3.47Å; H219-T283 PolarHBondContact N-OG1 3.05Å; H219-T283 PolarHBondContact ND1-OG1 2.67Å; H219-V285 WeakPolarHBondContact NE2-CG2 3.32Å; H219-R351 PolarHBondContact O-NH1 2.82Å; H219-R351 PolarHBondContact O-NH2 2.89Å |
| 220 | C | 79.3 | Confident | 79 | Confident | 47 Ų | 47 | 76.9 Ų | 76.9 | 32% | 0.318 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 9.1 | 174.3 | -75.3 | 0 | 0 | 0 | 0 | 113.9 | L218 | L218-C220 PolarHBondContact O-N 2.88Å; L218-C220 VanDerWaalsContact O-N 3.12Å |
| 221 | G | 82.6 | Confident | 80.7 | Confident | 22 Ų | 22 | 74 Ų | 74 | 23% | 0.227 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -73.2 | 143.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L218 L223 R224 A225 | L218-G221 PolarHBondContact O-N 2.66Å; G221-L223 VanDerWaalsContact C-N 3.31Å; G221-L223 PolarHBondContact O-N 3.07Å; G221-R224 WeakPolarHBondContact O-CB 3.49Å; G221-R224 PolarHBondContact O-N 2.82Å; G221-A225 PolarHBondContact O-N 3.28Å; G221-A225 VanDerWaalsContact O-N 3.15Å |
| 222 | A | 83.6 | Confident | 82.3 | Confident | 79 Ų | 79 | 66.4 Ų | 66.4 | 65% | 0.653 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -53.4 | -45.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R224 A225 T226 | A222-R224 PolarHBondContact O-N 2.95Å; A222-A225 WeakPolarHBondContact O-CA 3.29Å; A222-A225 WeakPolarHBondContact O-CB 3.46Å; A222-A225 PolarHBondContact O-N 3.03Å; A222-T226 PolarHBondContact O-N 2.81Å; A222-T226 PolarHBondContact O-OG1 2.72Å |
| 223 | L | 86.9 | Confident | 84.1 | Confident | 143 Ų | 143 | 62.4 Ų | 62.4 | 75% | 0.749 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -54.8 | -37 | 175.7 | -65.5 | 174.6 | 0 | 0 | 0 | 113.2 | G221 W227 | G221-L223 VanDerWaalsContact C-N 3.31Å; G221-L223 PolarHBondContact O-N 3.07Å; L223-W227 WeakPolarHBondContact O-CB 3.49Å; L223-W227 PolarHBondContact O-N 3.14Å |
| 224 | R | 87.3 | Confident | 85.3 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.4 | -39 | 176.4 | -179.9 | 64.1 | -153.8 | -162.6 | 15.8 | 111.2 | G221 A222 W227 D228 D275 N279 T282 | G221-R224 WeakPolarHBondContact O-CB 3.49Å; G221-R224 PolarHBondContact O-N 2.82Å; A222-R224 PolarHBondContact O-N 2.95Å; R224-W227 PolarHBondContact O-N 3.33Å; R224-D228 WeakPolarHBondContact CG-OD2 3.41Å; R224-D228 IonicContact CZ-OD1 2.77Å; R224-D228 IonicContact CZ-OD2 2.97Å; R224-D228 IonicContact NE-OD1 3.6Å; R224-D228 PolarHBondContact NE-OD1 3.14Å; R224-D228 IonicContact NE-OD2 3.7Å; R224-D228 PolarHBondContact NE-OD2 3.21Å; R224-D228 IonicContact NH2-OD1 3.29Å; R224-D228 PolarHBondContact NH2-OD1 3.09Å; R224-D228 IonicContact NH2-OD2 2.62Å; R224-D228 WeakPolarHBondContact O-CB 3.36Å; R224-D228 PolarHBondContact O-N 3.3Å; R224-D228 VanDerWaalsContact O-OD2 3.09Å; R224-D275 IonicContact CZ-OD1 3.26Å; R224-D275 IonicContact NH1-OD1 2.76Å; R224-D275 IonicContact NH2-OD1 2.72Å; R224-D275 PolarHBondContact NH2-OD1 2.82Å; R224-N279 PolarHBondContact NH1-OD1 2.88Å; R224-N279 PolarHBondContact NH2-OD1 3.33Å; R224-T282 PolarHBondContact NH1-OG1 2.9Å |
| 225 | A | 84.9 | Confident | 86.4 | Confident | 47 Ų | 47 | 54.6 Ų | 54.6 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G221 A222 D228 G229 | G221-A225 PolarHBondContact O-N 3.28Å; G221-A225 VanDerWaalsContact O-N 3.15Å; A222-A225 WeakPolarHBondContact O-CA 3.29Å; A222-A225 WeakPolarHBondContact O-CB 3.46Å; A222-A225 PolarHBondContact O-N 3.03Å; A225-D228 PolarHBondContact O-N 3.24Å; A225-G229 PolarHBondContact O-N 2.99Å; A225-G229 VanDerWaalsContact O-N 3.07Å |
| 226 | T | 88.4 | Confident | 87.1 | Confident | 82 Ų | 82 | 50.6 Ų | 50.6 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 173.3 | -47.7 | 0 | 0 | 0 | 0 | 111.4 | A222 G229 F230 | A222-T226 PolarHBondContact O-N 2.81Å; A222-T226 PolarHBondContact O-OG1 2.72Å; T226-G229 WeakPolarHBondContact O-CA 3.37Å; T226-G229 PolarHBondContact O-N 3.16Å; T226-G229 VanDerWaalsContact O-N 3.17Å; T226-F230 HydrophobicContact CG2-CD2 4.26Å; T226-F230 HydrophobicContact CG2-CE2 3.77Å; T226-F230 HydrophobicContact CG2-CZ 4.49Å; T226-F230 WeakPolarHBondContact O-CD2 3.34Å; T226-F230 PolarHBondContact O-N 2.94Å |
| 227 | W | 90.6 | Very high | 87.5 | Confident | 46 Ų | 46 | 52.7 Ų | 52.7 | 17% | 0.174 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 175.2 | -177.5 | -94 | 0 | 0 | 0 | 112.7 | L223 R224 G229 F230 I231 L271 L274 D275 L278 | L223-W227 WeakPolarHBondContact O-CB 3.49Å; L223-W227 PolarHBondContact O-N 3.14Å; R224-W227 PolarHBondContact O-N 3.33Å; W227-G229 PolarHBondContact O-N 3.43Å; W227-F230 PolarHBondContact O-N 3.03Å; W227-F230 VanDerWaalsContact O-N 3.1Å; W227-I231 HydrophobicContact CZ2-CD1 3.82Å; W227-I231 HydrophobicContact CZ2-CG1 4.26Å; W227-I231 WeakPolarHBondContact O-CG1 3.48Å; W227-I231 PolarHBondContact O-N 2.79Å; W227-L271 HydrophobicContact CH2-CD2 3.79Å; W227-L271 HydrophobicContact CZ3-CD2 4.19Å; W227-L274 HydrophobicContact CH2-CB 3.79Å; W227-L274 HydrophobicContact CH2-CD1 4.31Å; W227-L274 HydrophobicContact CZ2-CB 3.95Å; W227-D275 HydrophobicContact CZ2-CB 4.2Å; W227-D275 PolarHBondContact NE1-OD1 2.99Å; W227-L278 HydrophobicContact CD2-CD1 3.75Å; W227-L278 HydrophobicContact CE3-CD1 4.1Å; W227-L278 HydrophobicContact CG-CD1 4.32Å; W227-L278 HydrophobicContact CH2-CD1 4.09Å; W227-L278 HydrophobicContact CZ2-CD1 3.73Å; W227-L278 HydrophobicContact CZ3-CD1 4.26Å |
| 228 | D | 87.3 | Confident | 87.7 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.6 | -32.6 | 174.3 | -76.7 | -49.8 | 0 | 0 | 0 | 111.8 | R224 A225 L232 R348 | R224-D228 WeakPolarHBondContact CG-OD2 3.41Å; R224-D228 IonicContact CZ-OD1 2.77Å; R224-D228 IonicContact CZ-OD2 2.97Å; R224-D228 IonicContact NE-OD1 3.6Å; R224-D228 PolarHBondContact NE-OD1 3.14Å; R224-D228 IonicContact NE-OD2 3.7Å; R224-D228 PolarHBondContact NE-OD2 3.21Å; R224-D228 IonicContact NH2-OD1 3.29Å; R224-D228 PolarHBondContact NH2-OD1 3.09Å; R224-D228 IonicContact NH2-OD2 2.62Å; R224-D228 WeakPolarHBondContact O-CB 3.36Å; R224-D228 PolarHBondContact O-N 3.3Å; R224-D228 VanDerWaalsContact O-OD2 3.09Å; A225-D228 PolarHBondContact O-N 3.24Å; D228-L232 WeakPolarHBondContact O-CB 3.47Å; D228-L232 PolarHBondContact O-N 2.83Å; D228-R348 PolarHBondContact O-NH1 3.48Å; D228-R348 IonicContact OD1-CZ 3.2Å; D228-R348 IonicContact OD1-NE 2.65Å; D228-R348 PolarHBondContact OD1-NE 2.91Å; D228-R348 IonicContact OD1-NH2 2.96Å; D228-R348 PolarHBondContact OD1-NH2 3.47Å |
| 229 | G | 87.8 | Confident | 88.1 | Confident | 31 Ų | 31 | 47.3 Ų | 47.3 | 32% | 0.32 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.5 | -43.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A225 T226 W227 I231 L232 L233 | A225-G229 PolarHBondContact O-N 2.99Å; A225-G229 VanDerWaalsContact O-N 3.07Å; T226-G229 WeakPolarHBondContact O-CA 3.37Å; T226-G229 PolarHBondContact O-N 3.16Å; T226-G229 VanDerWaalsContact O-N 3.17Å; W227-G229 PolarHBondContact O-N 3.43Å; G229-I231 VanDerWaalsContact C-N 3.35Å; G229-L232 WeakPolarHBondContact O-CB 3.46Å; G229-L232 PolarHBondContact O-N 3.33Å; G229-L233 PolarHBondContact O-N 3.16Å |
| 230 | F | 90.9 | Very high | 88.5 | Confident | 120 Ų | 120 | 49 Ų | 49 | 53% | 0.526 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 173.5 | -73.8 | -58.5 | 0 | 0 | 0 | 112 | T226 W227 L233 A234 | T226-F230 HydrophobicContact CG2-CD2 4.26Å; T226-F230 HydrophobicContact CG2-CE2 3.77Å; T226-F230 HydrophobicContact CG2-CZ 4.49Å; T226-F230 WeakPolarHBondContact O-CD2 3.34Å; T226-F230 PolarHBondContact O-N 2.94Å; W227-F230 PolarHBondContact O-N 3.03Å; W227-F230 VanDerWaalsContact O-N 3.1Å; F230-L233 PolarHBondContact O-N 3.09Å; F230-A234 WeakPolarHBondContact O-CB 3.24Å; F230-A234 PolarHBondContact O-N 3.15Å |
| 231 | I | 90.6 | Very high | 89 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.1 | -34.6 | 176.2 | -59.9 | -59.2 | 0 | 0 | 0 | 111.4 | W227 G229 A234 T235 L271 F272 D275 | W227-I231 HydrophobicContact CZ2-CD1 3.82Å; W227-I231 HydrophobicContact CZ2-CG1 4.26Å; W227-I231 WeakPolarHBondContact O-CG1 3.48Å; W227-I231 PolarHBondContact O-N 2.79Å; G229-I231 VanDerWaalsContact C-N 3.35Å; I231-A234 PolarHBondContact O-N 2.8Å; I231-T235 WeakPolarHBondContact O-CG2 3.14Å; I231-T235 PolarHBondContact O-N 3Å; I231-T235 PolarHBondContact O-OG1 3Å; I231-L271 HydrophobicContact CD1-CB 4.19Å; I231-F272 HydrophobicContact CG2-CD1 4.36Å; I231-F272 HydrophobicContact CG2-CE1 3.83Å; I231-D275 HydrophobicContact CD1-CB 3.85Å; I231-D275 HydrophobicContact CG1-CB 4.15Å |
| 232 | L | 87.9 | Confident | 89.3 | Confident | 55 Ų | 55 | 47.5 Ų | 47.5 | 29% | 0.288 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 170.8 | 171.7 | 62.4 | 0 | 0 | 0 | 111.3 | D228 G229 A234 T235 L236 L345 Y352 | D228-L232 WeakPolarHBondContact O-CB 3.47Å; D228-L232 PolarHBondContact O-N 2.83Å; G229-L232 WeakPolarHBondContact O-CB 3.46Å; G229-L232 PolarHBondContact O-N 3.33Å; L232-A234 VanDerWaalsContact C-N 3.34Å; L232-A234 PolarHBondContact O-N 2.72Å; L232-T235 WeakPolarHBondContact CA-OG1 3.2Å; L232-T235 PolarHBondContact O-N 3.21Å; L232-T235 PolarHBondContact O-OG1 3.07Å; L232-L236 PolarHBondContact O-N 2.82Å; L232-L345 HydrophobicContact CD1-CD2 3.51Å; L232-Y352 HydrophobicContact CD2-CE2 4.45Å |
| 233 | L | 90.3 | Very high | 89.6 | Confident | 113 Ų | 113 | 44.5 Ų | 44.5 | 59% | 0.592 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.8 | -40.9 | 176.4 | -177 | 60.8 | 0 | 0 | 0 | 112 | G229 F230 L236 Y237 | G229-L233 PolarHBondContact O-N 3.16Å; F230-L233 PolarHBondContact O-N 3.09Å; L233-L236 PolarHBondContact O-N 2.81Å; L233-Y237 PolarHBondContact O-N 3.4Å |
| 234 | A | 91.4 | Very high | 89.7 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -38.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F230 I231 L232 V238 V268 F272 | F230-A234 WeakPolarHBondContact O-CB 3.24Å; F230-A234 PolarHBondContact O-N 3.15Å; I231-A234 PolarHBondContact O-N 2.8Å; L232-A234 VanDerWaalsContact C-N 3.34Å; L232-A234 PolarHBondContact O-N 2.72Å; A234-V238 WeakPolarHBondContact O-CG2 3.24Å; A234-V238 PolarHBondContact O-N 2.77Å; A234-V268 HydrophobicContact CB-CG1 4.32Å; A234-V268 HydrophobicContact CB-CG2 4.47Å; A234-F272 HydrophobicContact CB-CE2 3.99Å; A234-F272 HydrophobicContact CB-CZ 3.85Å |
| 235 | T | 90.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.4 | -37.7 | 173.8 | 50.9 | 0 | 0 | 0 | 0 | 112.5 | I231 L232 V238 A239 F272 R341 | I231-T235 WeakPolarHBondContact O-CG2 3.14Å; I231-T235 PolarHBondContact O-N 3Å; I231-T235 PolarHBondContact O-OG1 3Å; L232-T235 WeakPolarHBondContact CA-OG1 3.2Å; L232-T235 PolarHBondContact O-N 3.21Å; L232-T235 PolarHBondContact O-OG1 3.07Å; T235-V238 PolarHBondContact O-N 2.97Å; T235-A239 WeakPolarHBondContact O-CB 3.4Å; T235-A239 PolarHBondContact O-N 2.96Å; T235-F272 HydrophobicContact CG2-CE1 3.73Å; T235-F272 HydrophobicContact CG2-CZ 3.65Å; T235-R341 HydrophobicContact CG2-CB 4.16Å; T235-R341 WeakPolarHBondContact CG2-O 3.41Å |
| 236 | L | 90.5 | Very high | 89.4 | Confident | 69 Ų | 69 | 41.9 Ų | 41.9 | 36% | 0.361 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 176.1 | 179.6 | 62.1 | 0 | 0 | 0 | 111.2 | L232 L233 V238 A239 V240 L369 | L232-L236 PolarHBondContact O-N 2.82Å; L233-L236 PolarHBondContact O-N 2.81Å; L236-V238 PolarHBondContact O-N 2.76Å; L236-A239 PolarHBondContact O-N 3.22Å; L236-V240 PolarHBondContact O-N 2.88Å; L236-L369 HydrophobicContact CD1-CD1 3.81Å; L236-L369 HydrophobicContact CD1-CD2 4.03Å; L236-L369 HydrophobicContact CD1-CG 4.05Å |
| 237 | Y | 92.3 | Very high | 89.1 | Confident | 75 Ų | 75 | 38.6 Ų | 38.6 | 29% | 0.294 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55.4 | -52.4 | 174.7 | 178.4 | -98.7 | 0 | 0 | 0 | 111.7 | L233 A239 V240 T241 C264 V268 | L233-Y237 PolarHBondContact O-N 3.4Å; Y237-A239 VanDerWaalsContact C-N 3.32Å; Y237-A239 PolarHBondContact O-N 3.42Å; Y237-V240 PolarHBondContact O-N 2.96Å; Y237-V240 VanDerWaalsContact O-N 3.11Å; Y237-T241 HydrophobicContact CD1-CG2 4.29Å; Y237-T241 HydrophobicContact CD2-CG2 4.01Å; Y237-T241 HydrophobicContact CE1-CG2 3.94Å; Y237-T241 HydrophobicContact CE2-CG2 3.61Å; Y237-T241 HydrophobicContact CG-CG2 4.34Å; Y237-T241 PolarHBondContact O-N 3.47Å; Y237-T241 PolarHBondContact O-OG1 2.96Å; Y237-C264 HydrophobicContact CE1-CB 4.46Å; Y237-C264 VanDerWaalsContact OH-CB 3.27Å; Y237-C264 WeakPolarHBondContact OH-CB 3.24Å; Y237-V268 HydrophobicContact CD1-CG1 4.44Å; Y237-V268 HydrophobicContact CD1-CG2 3.83Å; Y237-V268 HydrophobicContact CE1-CG2 4.21Å |
| 238 | V | 91.1 | Very high | 88.5 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.03 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.3 | -41.7 | 178.5 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | A234 T235 L236 V240 T241 V242 V268 F272 R338 | A234-V238 WeakPolarHBondContact O-CG2 3.24Å; A234-V238 PolarHBondContact O-N 2.77Å; T235-V238 PolarHBondContact O-N 2.97Å; L236-V238 PolarHBondContact O-N 2.76Å; V238-V240 PolarHBondContact O-N 2.91Å; V238-T241 PolarHBondContact O-N 2.94Å; V238-V242 HydrophobicContact CG1-CB 4.38Å; V238-V242 HydrophobicContact CG1-CG2 3.62Å; V238-V242 WeakPolarHBondContact O-CB 3.36Å; V238-V242 PolarHBondContact O-N 3.39Å; V238-V268 HydrophobicContact CG2-CG1 3.7Å; V238-F272 HydrophobicContact CG2-CE2 4.03Å; V238-R338 HydrophobicContact CG1-CB 3.84Å |
| 239 | A | 92.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64 | -23.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T235 L236 Y237 P243 L342 L369 W373 | T235-A239 WeakPolarHBondContact O-CB 3.4Å; T235-A239 PolarHBondContact O-N 2.96Å; L236-A239 PolarHBondContact O-N 3.22Å; Y237-A239 VanDerWaalsContact C-N 3.32Å; Y237-A239 PolarHBondContact O-N 3.42Å; A239-P243 WeakPolarHBondContact O-CD 3.44Å; A239-P243 WeakPolarHBondContact O-CG 3.34Å; A239-L342 HydrophobicContact CB-CD1 3.95Å; A239-L342 HydrophobicContact CB-CD2 4.05Å; A239-L342 HydrophobicContact CB-CG 4.33Å; A239-L369 HydrophobicContact CB-CD1 4.24Å; A239-L369 HydrophobicContact CB-CD2 3.72Å; A239-W373 HydrophobicContact CB-CZ2 4.38Å; A239-W373 PolarHBondContact O-NE1 3.4Å |
| 240 | V | 92.8 | Very high | 86.5 | Confident | 56 Ų | 56 | 39.3 Ų | 39.3 | 34% | 0.339 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -88.4 | -52.6 | 171.9 | 177.1 | 0 | 0 | 0 | 0 | 111 | L236 Y237 V238 Y244 L369 H372 | L236-V240 PolarHBondContact O-N 2.88Å; Y237-V240 PolarHBondContact O-N 2.96Å; Y237-V240 VanDerWaalsContact O-N 3.11Å; V238-V240 PolarHBondContact O-N 2.91Å; V240-Y244 WeakPolarHBondContact O-CB 3.42Å; V240-L369 HydrophobicContact CG2-CD2 3.73Å; V240-H372 WeakPolarHBondContact CA-NE2 3.46Å; V240-H372 PolarHBondContact O-NE2 2.83Å |
| 241 | T | 89.2 | Confident | 84.9 | Confident | 32 Ų | 32 | 36 Ų | 36 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74.4 | -32.1 | -170 | 59.9 | 0 | 0 | 0 | 0 | 114 | Y237 V238 S245 | Y237-T241 HydrophobicContact CD1-CG2 4.29Å; Y237-T241 HydrophobicContact CD2-CG2 4.01Å; Y237-T241 HydrophobicContact CE1-CG2 3.94Å; Y237-T241 HydrophobicContact CE2-CG2 3.61Å; Y237-T241 HydrophobicContact CG-CG2 4.34Å; Y237-T241 PolarHBondContact O-N 3.47Å; Y237-T241 PolarHBondContact O-OG1 2.96Å; V238-T241 PolarHBondContact O-N 2.94Å; T241-S245 WeakPolarHBondContact O-CB 3.28Å; T241-S245 PolarHBondContact O-N 2.91Å; T241-S245 PolarHBondContact O-OG 3.08Å; T241-S245 VanDerWaalsContact O-OG 3.08Å |
| 242 | V | 87.9 | Confident | 83.4 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.9 | -54.4 | -177.7 | 168.7 | 0 | 0 | 0 | 0 | 112.3 | V238 Y244 S245 V246 K335 R338 L339 | V238-V242 HydrophobicContact CG1-CB 4.38Å; V238-V242 HydrophobicContact CG1-CG2 3.62Å; V238-V242 WeakPolarHBondContact O-CB 3.36Å; V238-V242 PolarHBondContact O-N 3.39Å; V242-Y244 VanDerWaalsContact C-N 3.32Å; V242-Y244 PolarHBondContact O-N 3.12Å; V242-S245 PolarHBondContact O-N 3.42Å; V242-S245 PolarHBondContact O-OG 3.04Å; V242-V246 WeakPolarHBondContact O-CG2 3.32Å; V242-V246 PolarHBondContact O-N 3.36Å; V242-K335 WeakPolarHBondContact CG1-O 3.46Å; V242-R338 HydrophobicContact CG2-CB 4.02Å; V242-L339 HydrophobicContact CB-CD2 4.32Å; V242-L339 HydrophobicContact CG1-CD2 4.37Å; V242-L339 HydrophobicContact CG1-CG 4.27Å |
| 243 | P | 90.7 | Very high | 81.7 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 10% | 0.104 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.3 | -43.5 | 178.4 | -23.6 | 35.1 | 0 | 0 | 0 | 112.4 | A239 V246 C247 L339 C376 | A239-P243 WeakPolarHBondContact O-CD 3.44Å; A239-P243 WeakPolarHBondContact O-CG 3.34Å; P243-V246 PolarHBondContact O-N 3.35Å; P243-C247 PolarHBondContact O-N 3.29Å; P243-C247 PolarHBondContact O-SG 3.31Å; P243-L339 HydrophobicContact CG-CD1 4.45Å; P243-L339 HydrophobicContact CG-CD2 4.18Å; P243-C376 HydrophobicContact CB-CB 4.1Å |
| 244 | Y | 89 | Confident | 79.8 | Confident | 95 Ų | 95 | 47.3 Ų | 47.3 | 37% | 0.373 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.5 | -49.6 | 175.4 | 178.5 | -94.8 | 0 | 0 | 0 | 111.4 | V240 V242 V246 C247 V248 Y452 | V240-Y244 WeakPolarHBondContact O-CB 3.42Å; V242-Y244 VanDerWaalsContact C-N 3.32Å; V242-Y244 PolarHBondContact O-N 3.12Å; Y244-V246 VanDerWaalsContact C-N 3.33Å; Y244-V246 PolarHBondContact O-N 2.9Å; Y244-C247 PolarHBondContact O-N 2.96Å; Y244-V248 HydrophobicContact CD2-CG2 4.04Å; Y244-V248 HydrophobicContact CE1-CG2 4.27Å; Y244-V248 HydrophobicContact CE2-CG2 3.79Å; Y244-V248 HydrophobicContact CG-CG2 4.39Å; Y244-V248 VanDerWaalsContact O-CB 3.24Å; Y244-V248 WeakPolarHBondContact O-CB 3.5Å; Y244-V248 VanDerWaalsContact O-CG2 3.29Å; Y244-V248 WeakPolarHBondContact O-CG2 3.46Å; Y244-V248 PolarHBondContact O-N 3.36Å; Y244-Y452 HydrophobicContact CD2-CD2 4.11Å; Y244-Y452 HydrophobicContact CD2-CE1 4.35Å; Y244-Y452 AromaticContact CD2-CE2 3.73Å; Y244-Y452 HydrophobicContact CD2-CE2 3.73Å; Y244-Y452 AromaticContact CD2-CZ 3.88Å; Y244-Y452 HydrophobicContact CE2-CD1 4.34Å; Y244-Y452 HydrophobicContact CE2-CD2 4.06Å; Y244-Y452 HydrophobicContact CE2-CE1 4.4Å; Y244-Y452 HydrophobicContact CE2-CE2 4.13Å; Y244-Y452 HydrophobicContact CE2-CG 4.19Å |
| 245 | S | 83.6 | Confident | 77.5 | Confident | 37 Ų | 37 | 50.2 Ų | 50.2 | 26% | 0.259 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.7 | -34 | 179.8 | 70.5 | 0 | 0 | 0 | 0 | 113.1 | T241 V242 S249 | T241-S245 WeakPolarHBondContact O-CB 3.28Å; T241-S245 PolarHBondContact O-N 2.91Å; T241-S245 PolarHBondContact O-OG 3.08Å; T241-S245 VanDerWaalsContact O-OG 3.08Å; V242-S245 PolarHBondContact O-N 3.42Å; V242-S245 PolarHBondContact O-OG 3.04Å; S245-S249 WeakPolarHBondContact O-CB 3.46Å; S245-S249 PolarHBondContact O-N 3.26Å; S245-S249 PolarHBondContact O-OG 3.14Å |
| 246 | V | 82.5 | Confident | 75.3 | Confident | 21 Ų | 21 | 52.7 Ų | 52.7 | 13% | 0.127 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.3 | -52.3 | 176.1 | 170.9 | 0 | 0 | 0 | 0 | 110.1 | V242 P243 Y244 V248 S249 K335 T336 | V242-V246 WeakPolarHBondContact O-CG2 3.32Å; V242-V246 PolarHBondContact O-N 3.36Å; P243-V246 PolarHBondContact O-N 3.35Å; Y244-V246 VanDerWaalsContact C-N 3.33Å; Y244-V246 PolarHBondContact O-N 2.9Å; V246-V248 VanDerWaalsContact C-N 3.33Å; V246-V248 PolarHBondContact O-N 2.89Å; V246-S249 PolarHBondContact O-N 3.17Å; V246-K335 HydrophobicContact CG2-CB 4.23Å; V246-T336 HydrophobicContact CG2-CG2 4.17Å |
| 247 | C | 82.4 | Confident | 73.4 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 9% | 0.088 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -74 | -21.6 | -175 | -52.5 | 0 | 0 | 0 | 0 | 113.3 | P243 Y244 T250 C376 F379 Q383 | P243-C247 PolarHBondContact O-N 3.29Å; P243-C247 PolarHBondContact O-SG 3.31Å; Y244-C247 PolarHBondContact O-N 2.96Å; C247-T250 PolarHBondContact O-OG1 3.38Å; C247-C376 PolarHBondContact SG-O 3.22Å; C247-F379 HydrophobicContact CB-CD1 4.28Å; C247-F379 WeakPolarHBondContact O-CE1 3.42Å; C247-Q383 PolarHBondContact O-OE1 3.49Å |
| 248 | V | 78.2 | Confident | 71.5 | Confident | 18 Ų | 18 | 57.9 Ų | 57.9 | 11% | 0.109 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -94.6 | -23.4 | 175.9 | 175.3 | 0 | 0 | 0 | 0 | 112.6 | Y244 V246 T250 A251 L448 | Y244-V248 HydrophobicContact CD2-CG2 4.04Å; Y244-V248 HydrophobicContact CE1-CG2 4.27Å; Y244-V248 HydrophobicContact CE2-CG2 3.79Å; Y244-V248 HydrophobicContact CG-CG2 4.39Å; Y244-V248 VanDerWaalsContact O-CB 3.24Å; Y244-V248 WeakPolarHBondContact O-CB 3.5Å; Y244-V248 VanDerWaalsContact O-CG2 3.29Å; Y244-V248 WeakPolarHBondContact O-CG2 3.46Å; Y244-V248 PolarHBondContact O-N 3.36Å; V246-V248 VanDerWaalsContact C-N 3.33Å; V246-V248 PolarHBondContact O-N 2.89Å; V248-T250 VanDerWaalsContact C-N 3.3Å; V248-T250 PolarHBondContact O-N 3.43Å; V248-A251 PolarHBondContact O-N 3.04Å; V248-L448 HydrophobicContact CG1-CD1 4.3Å; V248-L448 HydrophobicContact CG1-CD2 3.73Å; V248-L448 HydrophobicContact CG2-CD1 4.31Å |
| 249 | S | 70.1 | Confident | 69.9 | Low | 43 Ų | 43 | 60.2 Ų | 60.2 | 30% | 0.301 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.2 | -29.2 | 174.3 | -66.1 | 0 | 0 | 0 | 0 | 112.4 | S245 V246 A251 | S245-S249 WeakPolarHBondContact O-CB 3.46Å; S245-S249 PolarHBondContact O-N 3.26Å; S245-S249 PolarHBondContact O-OG 3.14Å; V246-S249 PolarHBondContact O-N 3.17Å; S249-A251 VanDerWaalsContact C-N 3.3Å |
| 250 | T | 62.3 | Low | 68.5 | Low | 46 Ų | 46 | 66 Ų | 66 | 28% | 0.282 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -34.4 | 171.8 | 43.1 | 0 | 0 | 0 | 0 | 111.5 | C247 V248 R252 Y380 Q383 | C247-T250 PolarHBondContact O-OG1 3.38Å; V248-T250 VanDerWaalsContact C-N 3.3Å; V248-T250 PolarHBondContact O-N 3.43Å; T250-R252 PolarHBondContact O-N 2.73Å; T250-Y380 HydrophobicContact CG2-CE2 4.26Å; T250-Q383 PolarHBondContact O-NE2 3.35Å; T250-Q383 VanDerWaalsContact O-NE2 3.1Å; T250-Q383 PolarHBondContact OG1-OE1 3.17Å |
| 251 | A | 57.4 | Low | 67.4 | Low | 49 Ų | 49 | 67 Ų | 67 | 41% | 0.405 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 14.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V248 S249 F379 Q383 | V248-A251 PolarHBondContact O-N 3.04Å; S249-A251 VanDerWaalsContact C-N 3.3Å; A251-F379 HydrophobicContact CB-CE1 4.35Å; A251-F379 HydrophobicContact CB-CZ 4.39Å; A251-Q383 VanDerWaalsContact N-NE2 3.17Å |
| 252 | R | 58.3 | Low | 66.8 | Low | 171 Ų | 171 | 68.2 Ų | 68.2 | 65% | 0.645 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -142.8 | 125.7 | -175.2 | -157.9 | 177.4 | -167.7 | 119.1 | 3.8 | 112.5 | T250 A256 | T250-R252 PolarHBondContact O-N 2.73Å; R252-A256 HydrophobicContact CG-CB 4.07Å |
| 253 | E | 52.5 | Low | 66.7 | Low | 139 Ų | 139 | 73.7 Ų | 73.7 | 65% | 0.65 | 43% | 0.433 | S | S | * | . | trans | -28.4 | 125.3 | 174.5 | -98.6 | -61.9 | 116 | 0 | 0 | 114.6 | S255 A256 | E253-S255 PolarHBondContact O-N 2.88Å; E253-A256 WeakPolarHBondContact O-CB 3.34Å; E253-A256 PolarHBondContact O-N 3.14Å | ||
| 254 | P | 51.7 | Low | 66.5 | Low | 96 Ų | 96 | 76.2 Ų | 76.2 | 62% | 0.623 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.5 | -172.6 | 22.8 | -34.5 | 0 | 0 | 0 | 114.2 | A256 A257 | P254-A256 VanDerWaalsContact C-N 3.34Å; P254-A257 PolarHBondContact O-N 3.42Å |
| 255 | S | 42.9 | Very low | 66.2 | Low | 67 Ų | 67 | 73.8 Ų | 73.8 | 47% | 0.469 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -24 | 171.1 | -76.4 | 0 | 0 | 0 | 0 | 114.4 | E253 A257 R258 | E253-S255 PolarHBondContact O-N 2.88Å; S255-A257 VanDerWaalsContact C-N 3.35Å; S255-R258 PolarHBondContact O-NH1 2.87Å; S255-R258 PolarHBondContact OG-NH2 3.08Å |
| 256 | A | 44.7 | Very low | 66.3 | Low | 54 Ų | 54 | 76.8 Ų | 76.8 | 45% | 0.446 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -77.2 | -19.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | R252 E253 P254 R258 | R252-A256 HydrophobicContact CG-CB 4.07Å; E253-A256 WeakPolarHBondContact O-CB 3.34Å; E253-A256 PolarHBondContact O-N 3.14Å; P254-A256 VanDerWaalsContact C-N 3.34Å; A256-R258 PolarHBondContact O-N 3.06Å; A256-R258 VanDerWaalsContact O-N 3.12Å |
| 257 | A | 49.8 | Very low | 66.6 | Low | 64 Ų | 64 | 78.2 Ų | 78.2 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -71.1 | -1.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | P254 S255 | P254-A257 PolarHBondContact O-N 3.42Å; S255-A257 VanDerWaalsContact C-N 3.35Å |
| 258 | R | 51.7 | Low | 67 | Low | 189 Ų | 189 | 78.4 Ų | 78.4 | 71% | 0.713 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -92.9 | 8.3 | 179.7 | -51.8 | -171.5 | -150.7 | 94.2 | 5.7 | 114.5 | S255 A256 | S255-R258 PolarHBondContact O-NH1 2.87Å; S255-R258 PolarHBondContact OG-NH2 3.08Å; A256-R258 PolarHBondContact O-N 3.06Å; A256-R258 VanDerWaalsContact O-N 3.12Å |
| 259 | G | 58.1 | Low | 67.4 | Low | 53 Ų | 53 | 78.4 Ų | 78.4 | 55% | 0.546 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -65.2 | 149.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 260 | P | 62.3 | Low | 68.3 | Low | 123 Ų | 123 | 79.8 Ų | 79.8 | 80% | 0.799 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 151 | 172.2 | 28.2 | -34.7 | 0 | 0 | 0 | 110.9 | ||
| 261 | P | 69.1 | Low | 69.7 | Low | 77 Ų | 77 | 80 Ų | 80 | 50% | 0.5 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 153.1 | 177.9 | 27.2 | -35.2 | 0 | 0 | 0 | 111.4 | ||
| 262 | S | 77.3 | Confident | 71.3 | Confident | 57 Ų | 57 | 77.7 Ų | 77.7 | 40% | 0.399 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 143.4 | 177.5 | -172.3 | 0 | 0 | 0 | 0 | 111 | C264 D265 L266 | S262-C264 PolarHBondContact O-N 3.43Å; S262-C264 VanDerWaalsContact O-N 3.17Å; S262-C264 PolarHBondContact OG-N 2.99Å; S262-D265 WeakPolarHBondContact CB-OD2 3.4Å; S262-D265 PolarHBondContact O-N 2.92Å; S262-L266 PolarHBondContact O-N 3.25Å |
| 263 | V | 85.9 | Confident | 72.9 | Confident | 120 Ų | 120 | 73.6 Ų | 73.6 | 73% | 0.727 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -56 | -33.2 | 173.3 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | A267 | V263-A267 VanDerWaalsContact O-CB 3.28Å; V263-A267 WeakPolarHBondContact O-CB 3.45Å; V263-A267 PolarHBondContact O-N 3.49Å |
| 264 | C | 86.4 | Confident | 74.8 | Confident | 68 Ų | 68 | 70.8 Ų | 70.8 | 46% | 0.459 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68 | -43.5 | 175.6 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | Y237 S262 A267 V268 | Y237-C264 HydrophobicContact CE1-CB 4.46Å; Y237-C264 VanDerWaalsContact OH-CB 3.27Å; Y237-C264 WeakPolarHBondContact OH-CB 3.24Å; S262-C264 PolarHBondContact O-N 3.43Å; S262-C264 VanDerWaalsContact O-N 3.17Å; S262-C264 PolarHBondContact OG-N 2.99Å; C264-A267 PolarHBondContact O-N 3.04Å; C264-V268 WeakPolarHBondContact O-CB 3.31Å; C264-V268 VanDerWaalsContact O-CG2 3.26Å; C264-V268 WeakPolarHBondContact O-CG2 3.42Å; C264-V268 PolarHBondContact O-N 3.49Å |
| 265 | D | 83.7 | Confident | 76.7 | Confident | 45 Ų | 45 | 66.3 Ų | 66.3 | 24% | 0.241 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 176.8 | -68.1 | -53.9 | 0 | 0 | 0 | 110.4 | S262 A267 V268 E269 | S262-D265 WeakPolarHBondContact CB-OD2 3.4Å; S262-D265 PolarHBondContact O-N 2.92Å; D265-A267 PolarHBondContact O-N 3.22Å; D265-V268 PolarHBondContact O-N 3.2Å; D265-E269 WeakPolarHBondContact O-CG 3.48Å; D265-E269 PolarHBondContact O-N 3.49Å |
| 266 | L | 84.9 | Confident | 79 | Confident | 100 Ų | 100 | 64 Ų | 64 | 52% | 0.524 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 176.9 | 178.8 | 61.1 | 0 | 0 | 0 | 112.1 | S262 V268 E269 V270 | S262-L266 PolarHBondContact O-N 3.25Å; L266-V268 VanDerWaalsContact C-N 3.3Å; L266-V268 PolarHBondContact O-N 2.8Å; L266-E269 PolarHBondContact O-N 3.39Å; L266-V270 WeakPolarHBondContact O-CG2 3.41Å; L266-V270 PolarHBondContact O-N 2.99Å |
| 267 | A | 88.9 | Confident | 81.2 | Confident | 51 Ų | 51 | 65.5 Ų | 65.5 | 42% | 0.421 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V263 C264 D265 V270 L271 | V263-A267 VanDerWaalsContact O-CB 3.28Å; V263-A267 WeakPolarHBondContact O-CB 3.45Å; V263-A267 PolarHBondContact O-N 3.49Å; C264-A267 PolarHBondContact O-N 3.04Å; D265-A267 PolarHBondContact O-N 3.22Å; A267-V270 PolarHBondContact O-N 3.43Å; A267-L271 WeakPolarHBondContact O-CG 3.16Å; A267-L271 PolarHBondContact O-N 3.29Å |
| 268 | V | 89.9 | Confident | 83.1 | Confident | 16 Ų | 16 | 64.8 Ų | 64.8 | 10% | 0.097 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.1 | -40 | 176.4 | 164.1 | 0 | 0 | 0 | 0 | 111.7 | A234 Y237 V238 C264 D265 L266 L271 F272 | A234-V268 HydrophobicContact CB-CG1 4.32Å; A234-V268 HydrophobicContact CB-CG2 4.47Å; Y237-V268 HydrophobicContact CD1-CG1 4.44Å; Y237-V268 HydrophobicContact CD1-CG2 3.83Å; Y237-V268 HydrophobicContact CE1-CG2 4.21Å; V238-V268 HydrophobicContact CG2-CG1 3.7Å; C264-V268 WeakPolarHBondContact O-CB 3.31Å; C264-V268 VanDerWaalsContact O-CG2 3.26Å; C264-V268 WeakPolarHBondContact O-CG2 3.42Å; C264-V268 PolarHBondContact O-N 3.49Å; D265-V268 PolarHBondContact O-N 3.2Å; L266-V268 VanDerWaalsContact C-N 3.3Å; L266-V268 PolarHBondContact O-N 2.8Å; V268-L271 PolarHBondContact O-N 3.36Å; V268-F272 HydrophobicContact CG1-CD2 3.89Å; V268-F272 HydrophobicContact CG1-CE2 3.52Å; V268-F272 WeakPolarHBondContact O-CD2 3.12Å; V268-F272 PolarHBondContact O-N 3.25Å; V268-F272 VanDerWaalsContact O-N 3.12Å |
| 269 | E | 87.3 | Confident | 85 | Confident | 18 Ų | 18 | 57 Ų | 57 | 8% | 0.084 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66 | -40.7 | 174.2 | -66.3 | -162.4 | 138 | 0 | 0 | 112.4 | D265 L266 L271 F272 I273 P316 R338 R341 | D265-E269 WeakPolarHBondContact O-CG 3.48Å; D265-E269 PolarHBondContact O-N 3.49Å; L266-E269 PolarHBondContact O-N 3.39Å; E269-L271 VanDerWaalsContact C-N 3.33Å; E269-L271 PolarHBondContact O-N 2.83Å; E269-F272 PolarHBondContact O-N 2.95Å; E269-I273 WeakPolarHBondContact O-CG1 3.45Å; E269-I273 PolarHBondContact O-N 3.37Å; E269-P316 VanDerWaalsContact OE2-CB 3.28Å; E269-P316 WeakPolarHBondContact OE2-CB 3.43Å; E269-R338 IonicContact OE1-CZ 2.72Å; E269-R338 IonicContact OE1-NE 3.35Å; E269-R338 PolarHBondContact OE1-NE 2.98Å; E269-R338 IonicContact OE1-NH2 3.07Å; E269-R338 PolarHBondContact OE1-NH2 3.17Å; E269-R338 IonicContact OE2-NH2 2.69Å; E269-R341 IonicContact OE1-NH2 3.18Å; E269-R341 PolarHBondContact OE1-NH2 3.37Å |
| 270 | V | 89.8 | Confident | 86.6 | Confident | 72 Ų | 72 | 56.9 Ų | 56.9 | 44% | 0.436 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 172.5 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | L266 A267 F272 I273 L274 | L266-V270 WeakPolarHBondContact O-CG2 3.41Å; L266-V270 PolarHBondContact O-N 2.99Å; A267-V270 PolarHBondContact O-N 3.43Å; V270-F272 PolarHBondContact O-N 3.31Å; V270-I273 PolarHBondContact O-N 2.84Å; V270-L274 HydrophobicContact CG1-CD1 3.96Å; V270-L274 HydrophobicContact CG1-CG 4.38Å; V270-L274 WeakPolarHBondContact O-CB 3.38Å; V270-L274 VanDerWaalsContact O-CG 3.32Å; V270-L274 WeakPolarHBondContact O-CG 3.47Å; V270-L274 PolarHBondContact O-N 2.84Å |
| 271 | L | 91.8 | Very high | 87.9 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 27% | 0.272 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 175.3 | -74.2 | 171.8 | 0 | 0 | 0 | 112.7 | W227 I231 A267 V268 E269 L274 D275 | W227-L271 HydrophobicContact CH2-CD2 3.79Å; W227-L271 HydrophobicContact CZ3-CD2 4.19Å; I231-L271 HydrophobicContact CD1-CB 4.19Å; A267-L271 WeakPolarHBondContact O-CG 3.16Å; A267-L271 PolarHBondContact O-N 3.29Å; V268-L271 PolarHBondContact O-N 3.36Å; E269-L271 VanDerWaalsContact C-N 3.33Å; E269-L271 PolarHBondContact O-N 2.83Å; L271-L274 PolarHBondContact O-N 2.85Å; L271-D275 PolarHBondContact O-N 3.31Å |
| 272 | F | 91.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.7 | -33.3 | 177.1 | -75.3 | -63.6 | 0 | 0 | 0 | 113.4 | I231 A234 T235 V238 V268 E269 V270 D275 I276 R341 | I231-F272 HydrophobicContact CG2-CD1 4.36Å; I231-F272 HydrophobicContact CG2-CE1 3.83Å; A234-F272 HydrophobicContact CB-CE2 3.99Å; A234-F272 HydrophobicContact CB-CZ 3.85Å; T235-F272 HydrophobicContact CG2-CE1 3.73Å; T235-F272 HydrophobicContact CG2-CZ 3.65Å; V238-F272 HydrophobicContact CG2-CE2 4.03Å; V268-F272 HydrophobicContact CG1-CD2 3.89Å; V268-F272 HydrophobicContact CG1-CE2 3.52Å; V268-F272 WeakPolarHBondContact O-CD2 3.12Å; V268-F272 PolarHBondContact O-N 3.25Å; V268-F272 VanDerWaalsContact O-N 3.12Å; E269-F272 PolarHBondContact O-N 2.95Å; V270-F272 PolarHBondContact O-N 3.31Å; F272-D275 PolarHBondContact O-N 3.35Å; F272-I276 WeakPolarHBondContact O-CG1 3.4Å; F272-I276 PolarHBondContact O-N 3.41Å; F272-R341 HydrophobicContact CE1-CB 4.39Å; F272-R341 HydrophobicContact CE1-CG 4.39Å; F272-R341 HydrophobicContact CE2-CG 4.49Å; F272-R341 HydrophobicContact CZ-CB 4.3Å; F272-R341 HydrophobicContact CZ-CG 4.32Å |
| 273 | I | 90.6 | Very high | 89.5 | Confident | 85 Ų | 85 | 51.3 Ų | 51.3 | 44% | 0.436 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.6 | -43.3 | 172.8 | -66.6 | 164.5 | 0 | 0 | 0 | 110.3 | E269 V270 D275 I276 V277 | E269-I273 WeakPolarHBondContact O-CG1 3.45Å; E269-I273 PolarHBondContact O-N 3.37Å; V270-I273 PolarHBondContact O-N 2.84Å; I273-D275 PolarHBondContact O-N 3.46Å; I273-I276 PolarHBondContact O-N 3.33Å; I273-V277 PolarHBondContact O-N 2.85Å |
| 274 | L | 91.9 | Very high | 89.5 | Confident | 80 Ų | 80 | 47.8 Ų | 47.8 | 42% | 0.419 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 174.6 | -71.5 | 171.1 | 0 | 0 | 0 | 112.1 | W227 V270 L271 I276 V277 L278 | W227-L274 HydrophobicContact CH2-CB 3.79Å; W227-L274 HydrophobicContact CH2-CD1 4.31Å; W227-L274 HydrophobicContact CZ2-CB 3.95Å; V270-L274 HydrophobicContact CG1-CD1 3.96Å; V270-L274 HydrophobicContact CG1-CG 4.38Å; V270-L274 WeakPolarHBondContact O-CB 3.38Å; V270-L274 VanDerWaalsContact O-CG 3.32Å; V270-L274 WeakPolarHBondContact O-CG 3.47Å; V270-L274 PolarHBondContact O-N 2.84Å; L271-L274 PolarHBondContact O-N 2.85Å; L274-I276 VanDerWaalsContact C-N 3.31Å; L274-I276 PolarHBondContact O-N 3.06Å; L274-V277 PolarHBondContact O-N 2.93Å; L274-V277 VanDerWaalsContact O-N 3.16Å; L274-L278 WeakPolarHBondContact O-CG 3.28Å; L274-L278 PolarHBondContact O-N 2.88Å |
| 275 | D | 92 | Very high | 89.5 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.011 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.2 | -41.7 | 176.8 | -171.8 | 57.5 | 0 | 0 | 0 | 111.6 | R224 W227 I231 L271 F272 I273 V277 L278 N279 R344 | R224-D275 IonicContact CZ-OD1 3.26Å; R224-D275 IonicContact NH1-OD1 2.76Å; R224-D275 IonicContact NH2-OD1 2.72Å; R224-D275 PolarHBondContact NH2-OD1 2.82Å; W227-D275 HydrophobicContact CZ2-CB 4.2Å; W227-D275 PolarHBondContact NE1-OD1 2.99Å; I231-D275 HydrophobicContact CD1-CB 3.85Å; I231-D275 HydrophobicContact CG1-CB 4.15Å; L271-D275 PolarHBondContact O-N 3.31Å; F272-D275 PolarHBondContact O-N 3.35Å; I273-D275 PolarHBondContact O-N 3.46Å; D275-V277 PolarHBondContact O-N 3.12Å; D275-L278 PolarHBondContact O-N 3.07Å; D275-N279 VanDerWaalsContact O-CB 3.31Å; D275-N279 WeakPolarHBondContact O-CB 3.46Å; D275-N279 PolarHBondContact O-N 3.04Å; D275-N279 PolarHBondContact O-ND2 3Å; D275-N279 PolarHBondContact O-OD1 2.62Å; D275-N279 PolarHBondContact OD1-OD1 3.3Å; D275-N279 PolarHBondContact OD2-ND2 2.79Å; D275-R344 IonicContact OD2-CZ 3.49Å; D275-R344 IonicContact OD2-NH1 2.8Å; D275-R344 PolarHBondContact OD2-NH1 2.99Å |
| 276 | I | 91.9 | Very high | 89.5 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 9% | 0.092 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 174.7 | -65.8 | 169 | 0 | 0 | 0 | 110.8 | F272 I273 L274 L278 N279 F280 Y302 F307 D310 V311 A314 | F272-I276 WeakPolarHBondContact O-CG1 3.4Å; F272-I276 PolarHBondContact O-N 3.41Å; I273-I276 PolarHBondContact O-N 3.33Å; L274-I276 VanDerWaalsContact C-N 3.31Å; L274-I276 PolarHBondContact O-N 3.06Å; I276-L278 VanDerWaalsContact C-N 3.31Å; I276-L278 PolarHBondContact O-N 2.96Å; I276-N279 PolarHBondContact O-N 2.72Å; I276-F280 HydrophobicContact CG2-CD2 4.08Å; I276-F280 HydrophobicContact CG2-CE2 3.82Å; I276-F280 VanDerWaalsContact O-CD2 3.22Å; I276-F280 WeakPolarHBondContact O-CD2 3.45Å; I276-F280 PolarHBondContact O-N 3.32Å; I276-F280 VanDerWaalsContact O-N 3.13Å; I276-Y302 HydrophobicContact CG2-CE1 4.25Å; I276-F307 HydrophobicContact CG2-CD2 4.28Å; I276-F307 HydrophobicContact CG2-CE2 4.21Å; I276-D310 HydrophobicContact CD1-CB 4.28Å; I276-D310 HydrophobicContact CG1-CB 4.05Å; I276-V311 HydrophobicContact CD1-CG2 4.38Å; I276-A314 HydrophobicContact CD1-CB 3.8Å |
| 277 | V | 91.6 | Very high | 89.3 | Confident | 85 Ų | 85 | 52.4 Ų | 52.4 | 52% | 0.515 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 179.2 | 177 | 0 | 0 | 0 | 0 | 111.9 | I273 L274 D275 | I273-V277 PolarHBondContact O-N 2.85Å; L274-V277 PolarHBondContact O-N 2.93Å; L274-V277 VanDerWaalsContact O-N 3.16Å; D275-V277 PolarHBondContact O-N 3.12Å |
| 278 | L | 89.6 | Confident | 88.7 | Confident | 49 Ų | 49 | 53.3 Ų | 53.3 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -76.2 | -31.8 | 176.7 | -64.8 | 178 | 0 | 0 | 0 | 112.8 | L217 W227 L274 D275 I276 R281 T282 | L217-L278 HydrophobicContact CD1-CB 4.45Å; L217-L278 HydrophobicContact CD1-CD2 3.97Å; W227-L278 HydrophobicContact CD2-CD1 3.75Å; W227-L278 HydrophobicContact CE3-CD1 4.1Å; W227-L278 HydrophobicContact CG-CD1 4.32Å; W227-L278 HydrophobicContact CH2-CD1 4.09Å; W227-L278 HydrophobicContact CZ2-CD1 3.73Å; W227-L278 HydrophobicContact CZ3-CD1 4.26Å; L274-L278 WeakPolarHBondContact O-CG 3.28Å; L274-L278 PolarHBondContact O-N 2.88Å; D275-L278 PolarHBondContact O-N 3.07Å; I276-L278 VanDerWaalsContact C-N 3.31Å; I276-L278 PolarHBondContact O-N 2.96Å; L278-R281 CarbonylContact O-C 3.49Å; L278-R281 WeakPolarHBondContact O-CA 3.41Å; L278-R281 PolarHBondContact O-N 3.36Å; L278-T282 PolarHBondContact O-N 3.43Å; L278-T282 PolarHBondContact O-OG1 2.82Å |
| 279 | N | 89.9 | Confident | 87.9 | Confident | 25 Ų | 25 | 53.3 Ų | 53.3 | 13% | 0.134 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 175.1 | -67.9 | -18.5 | 0 | 0 | 0 | 110.6 | R224 D275 I276 R281 T282 Y302 | R224-N279 PolarHBondContact NH1-OD1 2.88Å; R224-N279 PolarHBondContact NH2-OD1 3.33Å; D275-N279 VanDerWaalsContact O-CB 3.31Å; D275-N279 WeakPolarHBondContact O-CB 3.46Å; D275-N279 PolarHBondContact O-N 3.04Å; D275-N279 PolarHBondContact O-ND2 3Å; D275-N279 PolarHBondContact O-OD1 2.62Å; D275-N279 PolarHBondContact OD1-OD1 3.3Å; D275-N279 PolarHBondContact OD2-ND2 2.79Å; I276-N279 PolarHBondContact O-N 2.72Å; N279-R281 PolarHBondContact O-N 3.48Å; N279-T282 PolarHBondContact O-N 3.14Å; N279-T282 VanDerWaalsContact O-N 3.12Å; N279-Y302 HydrophobicContact CB-CD1 4.4Å; N279-Y302 HydrophobicContact CB-CD2 4.33Å; N279-Y302 HydrophobicContact CB-CE1 3.89Å; N279-Y302 HydrophobicContact CB-CE2 3.84Å |
| 280 | F | 91.9 | Very high | 87.5 | Confident | 51 Ų | 51 | 57.4 Ų | 57.4 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -17.5 | 168.7 | -83.4 | -69.3 | 0 | 0 | 0 | 115 | I276 I298 C299 Y302 V303 F307 | I276-F280 HydrophobicContact CG2-CD2 4.08Å; I276-F280 HydrophobicContact CG2-CE2 3.82Å; I276-F280 VanDerWaalsContact O-CD2 3.22Å; I276-F280 WeakPolarHBondContact O-CD2 3.45Å; I276-F280 PolarHBondContact O-N 3.32Å; I276-F280 VanDerWaalsContact O-N 3.13Å; F280-I298 WeakPolarHBondContact O-CG2 3.26Å; F280-C299 HydrophobicContact CD1-CB 4.18Å; F280-C299 HydrophobicContact CE1-CB 4.48Å; F280-Y302 AromaticContact CD1-CD1 3.8Å; F280-Y302 HydrophobicContact CD1-CD1 3.8Å; F280-Y302 HydrophobicContact CD1-CE1 4.45Å; F280-Y302 AromaticContact CD2-CD1 3.98Å; F280-Y302 HydrophobicContact CD2-CD1 3.98Å; F280-Y302 AromaticContact CD2-CE1 3.8Å; F280-Y302 HydrophobicContact CD2-CE1 3.8Å; F280-Y302 AromaticContact CE1-CD1 3.78Å; F280-Y302 HydrophobicContact CE1-CD1 3.78Å; F280-Y302 HydrophobicContact CE1-CE1 4.38Å; F280-Y302 AromaticContact CE2-CD1 3.96Å; F280-Y302 HydrophobicContact CE2-CD1 3.96Å; F280-Y302 AromaticContact CE2-CE1 3.72Å; F280-Y302 HydrophobicContact CE2-CE1 3.72Å; F280-Y302 AromaticContact CG-CD1 3.89Å; F280-Y302 HydrophobicContact CG-CD1 3.89Å; F280-Y302 HydrophobicContact CG-CE1 4.16Å; F280-Y302 AromaticContact CZ-CD1 3.85Å; F280-Y302 HydrophobicContact CZ-CD1 3.85Å; F280-Y302 HydrophobicContact CZ-CE1 4.02Å; F280-V303 HydrophobicContact CE1-CG2 3.81Å; F280-V303 HydrophobicContact CZ-CG2 4.13Å; F280-F307 AromaticContact CE2-CD2 3.72Å; F280-F307 HydrophobicContact CE2-CD2 3.72Å; F280-F307 AromaticContact CE2-CE2 3.65Å; F280-F307 HydrophobicContact CE2-CE2 3.65Å; F280-F307 AromaticContact CZ-CD2 3.57Å; F280-F307 HydrophobicContact CZ-CD2 3.57Å; F280-F307 AromaticContact CZ-CE2 3.61Å; F280-F307 HydrophobicContact CZ-CE2 3.61Å; F280-F307 HydrophobicContact CZ-CG 4.24Å; F280-F307 HydrophobicContact CZ-CZ 4.31Å |
| 281 | R | 90 | Very high | 87.2 | Confident | 117 Ų | 117 | 54.7 Ų | 54.7 | 44% | 0.442 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 3.8 | 179.7 | -60.4 | -52.9 | -170 | 102.4 | 1.3 | 113.7 | F215 I216 L217 L278 N279 | F215-R281 VanDerWaalsContact CB-NH1 3.25Å; F215-R281 PolarHBondContact O-NH1 3.43Å; I216-R281 CarbonylContact C-O 3.56Å; I216-R281 WeakPolarHBondContact CA-O 3.38Å; I216-R281 WeakPolarHBondContact CG2-O 3.41Å; L217-R281 PolarHBondContact N-O 2.93Å; L278-R281 CarbonylContact O-C 3.49Å; L278-R281 WeakPolarHBondContact O-CA 3.41Å; L278-R281 PolarHBondContact O-N 3.36Å; N279-R281 PolarHBondContact O-N 3.48Å |
| 282 | T | 90.4 | Very high | 86.8 | Confident | 18 Ų | 18 | 53.8 Ų | 53.8 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -92.5 | 130.6 | -179.7 | -60.1 | 0 | 0 | 0 | 0 | 109.9 | L217 H219 R224 L278 N279 I298 | L217-T282 CarbonylContact O-C 3.59Å; L217-T282 WeakPolarHBondContact O-CA 3.23Å; H219-T282 HydrophobicContact CB-CG2 4.29Å; R224-T282 PolarHBondContact NH1-OG1 2.9Å; L278-T282 PolarHBondContact O-N 3.43Å; L278-T282 PolarHBondContact O-OG1 2.82Å; N279-T282 PolarHBondContact O-N 3.14Å; N279-T282 VanDerWaalsContact O-N 3.12Å; T282-I298 VanDerWaalsContact O-CG2 3.23Å; T282-I298 WeakPolarHBondContact O-CG2 3.14Å |
| 283 | T | 89.6 | Confident | 86.4 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | trans | -58.4 | 151.9 | 174.2 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | I216 L217 L218 H219 V291 F293 | I216-T283 HydrophobicContact CG2-CG2 3.76Å; L217-T283 PolarHBondContact O-N 3.1Å; L218-T283 HydrophobicContact CD1-CG2 4.23Å; H219-T283 WeakPolarHBondContact CB-O 3.47Å; H219-T283 PolarHBondContact N-OG1 3.05Å; H219-T283 PolarHBondContact ND1-OG1 2.67Å; T283-V291 HydrophobicContact CG2-CG1 4.07Å; T283-F293 HydrophobicContact CG2-CD1 3.59Å; T283-F293 HydrophobicContact CG2-CE1 3.63Å; T283-F293 HydrophobicContact CG2-CG 4.35Å; T283-F293 HydrophobicContact CG2-CZ 4.4Å | ||
| 284 | F | 87 | Confident | 86.1 | Confident | 47 Ų | 47 | 55.2 Ų | 55.2 | 21% | 0.206 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 164.8 | 165.6 | 71.4 | -84.5 | 0 | 0 | 0 | 111.4 | V292 I298 H301 | F284-V292 HydrophobicContact CD1-CB 4.13Å; F284-V292 HydrophobicContact CD1-CG1 4.49Å; F284-V292 HydrophobicContact CD2-CG2 4.49Å; F284-V292 HydrophobicContact CE1-CB 3.73Å; F284-V292 HydrophobicContact CE1-CG1 3.71Å; F284-V292 HydrophobicContact CE1-CG2 4.26Å; F284-V292 HydrophobicContact CE2-CB 4.25Å; F284-V292 HydrophobicContact CE2-CG2 3.92Å; F284-V292 HydrophobicContact CZ-CB 3.8Å; F284-V292 HydrophobicContact CZ-CG1 3.87Å; F284-V292 HydrophobicContact CZ-CG2 3.8Å; F284-V292 PolarHBondContact O-N 3.31Å; F284-I298 HydrophobicContact CD1-CG1 4.01Å; F284-I298 HydrophobicContact CE1-CG1 4.14Å; F284-H301 HydrophobicContact CD1-CB 4.38Å; F284-H301 AromaticContact CD1-CD2 3.74Å; F284-H301 AromaticContact CD2-CD2 3.52Å; F284-H301 AromaticContact CD2-NE2 3.8Å; F284-H301 HydrophobicContact CE1-CB 3.94Å; F284-H301 AromaticContact CE2-CD2 3.81Å; F284-H301 AromaticContact CG-CD2 3.49Å; F284-H301 VanDerWaalsContact CG-CD2 3.49Å; F284-H301 WeakPolarHBondContact CG-CD2 3.23Å; F284-H301 HydrophobicContact CZ-CB 4.05Å |
| 285 | V | 85.5 | Confident | 85.8 | Confident | 42 Ų | 42 | 54.7 Ų | 54.7 | 26% | 0.255 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126.7 | 175 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | H219 V291 | H219-V285 WeakPolarHBondContact NE2-CG2 3.32Å; V285-V291 HydrophobicContact CG2-CG2 4.42Å |
| 286 | S | 83.1 | Confident | 85.6 | Confident | 43 Ų | 43 | 63.4 Ų | 63.4 | 30% | 0.301 | 33% | 0.33 | S | S | . | . | trans | -68.7 | 161.1 | 175.4 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | S288 G289 Q290 | S286-S288 WeakPolarHBondContact CB-OG 3.49Å; S286-S288 PolarHBondContact O-N 3.42Å; S286-S288 VanDerWaalsContact O-N 3.07Å; S286-S288 PolarHBondContact OG-N 2.99Å; S286-S288 PolarHBondContact OG-OG 3.21Å; S286-G289 PolarHBondContact O-N 2.93Å; S286-Q290 WeakPolarHBondContact CB-O 3.45Å; S286-Q290 PolarHBondContact N-O 3.33Å | ||
| 287 | K | 81.3 | Confident | 85.4 | Confident | 225 Ų | 225 | 64.6 Ų | 64.6 | 98% | 0.978 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -20.1 | 168.1 | -63.9 | -171 | 179.7 | -174.4 | 0 | 113.1 | G289 | K287-G289 VanDerWaalsContact C-N 3.28Š|
| 288 | S | 76.8 | Confident | 85.3 | Confident | 70 Ų | 70 | 60.7 Ų | 60.7 | 49% | 0.49 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 7.3 | 172 | 57.8 | 0 | 0 | 0 | 0 | 114.5 | S286 Q290 | S286-S288 WeakPolarHBondContact CB-OG 3.49Å; S286-S288 PolarHBondContact O-N 3.42Å; S286-S288 VanDerWaalsContact O-N 3.07Å; S286-S288 PolarHBondContact OG-N 2.99Å; S286-S288 PolarHBondContact OG-OG 3.21Å; S288-Q290 PolarHBondContact O-N 3.11Å; S288-Q290 VanDerWaalsContact O-N 3.12Å |
| 289 | G | 73.9 | Confident | 85.4 | Confident | 15 Ų | 15 | 60.8 Ų | 60.8 | 16% | 0.155 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 72.9 | -5.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | G6 L7 S286 K287 | G6-G289 CarbonylContact C-O 3.58Å; G6-G289 WeakPolarHBondContact CA-O 3.31Å; L7-G289 PolarHBondContact N-O 3.27Å; S286-G289 PolarHBondContact O-N 2.93Å; K287-G289 VanDerWaalsContact C-N 3.28Å |
| 290 | Q | 78.2 | Confident | 85.4 | Confident | 105 Ų | 105 | 65.4 Ų | 65.4 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -80.7 | 143.9 | 178.5 | -69.3 | 176.6 | -25.6 | 0 | 0 | 112.2 | S286 S288 | S286-Q290 WeakPolarHBondContact CB-O 3.45Å; S286-Q290 PolarHBondContact N-O 3.33Å; S288-Q290 PolarHBondContact O-N 3.11Å; S288-Q290 VanDerWaalsContact O-N 3.12Å |
| 291 | V | 83.3 | Confident | 85.3 | Confident | 15 Ų | 15 | 66.7 Ų | 66.7 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 126.5 | 176.5 | -173.6 | 0 | 0 | 0 | 0 | 110.4 | L8 L218 T283 V285 F293 | L8-V291 HydrophobicContact CD1-CG2 4.48Å; L8-V291 HydrophobicContact CD2-CB 4.07Å; L8-V291 HydrophobicContact CD2-CG1 4.41Å; L8-V291 HydrophobicContact CD2-CG2 3.7Å; L8-V291 HydrophobicContact CG-CG2 3.79Å; L218-V291 HydrophobicContact CD1-CG1 4.18Å; T283-V291 HydrophobicContact CG2-CG1 4.07Å; V285-V291 HydrophobicContact CG2-CG2 4.42Å; V291-F293 HydrophobicContact CB-CE2 3.7Å; V291-F293 HydrophobicContact CB-CZ 4.03Å; V291-F293 HydrophobicContact CG1-CD2 4.32Å; V291-F293 HydrophobicContact CG1-CE1 4.25Å; V291-F293 HydrophobicContact CG1-CE2 3.63Å; V291-F293 HydrophobicContact CG1-CZ 3.58Å; V291-F293 VanDerWaalsContact O-CD2 3.29Å; V291-F293 WeakPolarHBondContact O-CD2 3.5Å; V291-F293 WeakPolarHBondContact O-CE2 3.14Å |
| 292 | V | 83.5 | Confident | 85.4 | Confident | 32 Ų | 32 | 62 Ų | 62 | 19% | 0.194 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 117.9 | -176.4 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | F284 S297 | F284-V292 HydrophobicContact CD1-CB 4.13Å; F284-V292 HydrophobicContact CD1-CG1 4.49Å; F284-V292 HydrophobicContact CD2-CG2 4.49Å; F284-V292 HydrophobicContact CE1-CB 3.73Å; F284-V292 HydrophobicContact CE1-CG1 3.71Å; F284-V292 HydrophobicContact CE1-CG2 4.26Å; F284-V292 HydrophobicContact CE2-CB 4.25Å; F284-V292 HydrophobicContact CE2-CG2 3.92Å; F284-V292 HydrophobicContact CZ-CB 3.8Å; F284-V292 HydrophobicContact CZ-CG1 3.87Å; F284-V292 HydrophobicContact CZ-CG2 3.8Å; F284-V292 PolarHBondContact O-N 3.31Å; V292-S297 VanDerWaalsContact CG1-OG 3.24Å; V292-S297 WeakPolarHBondContact CG1-OG 3.47Å |
| 293 | F | 81.7 | Confident | 85.5 | Confident | 64 Ų | 64 | 64.4 Ų | 64.4 | 28% | 0.281 | 35% | 0.347 | S | S | . | . | trans | -104.1 | -5 | -178.3 | -64.9 | -88.3 | 0 | 0 | 0 | 114.5 | L8 I210 I216 L218 T283 V291 | L8-F293 HydrophobicContact CD2-CE2 4.4Å; L8-F293 HydrophobicContact CD2-CZ 3.89Å; I210-F293 HydrophobicContact CD1-CE2 4.11Å; I210-F293 HydrophobicContact CD1-CZ 4.16Å; I210-F293 HydrophobicContact CG2-CD1 4.24Å; I210-F293 HydrophobicContact CG2-CD2 3.99Å; I210-F293 HydrophobicContact CG2-CE1 3.97Å; I210-F293 HydrophobicContact CG2-CE2 3.7Å; I210-F293 HydrophobicContact CG2-CG 4.26Å; I210-F293 HydrophobicContact CG2-CZ 3.7Å; I216-F293 WeakPolarHBondContact CD1-O 3.25Å; L218-F293 HydrophobicContact CD1-CE1 4.18Å; L218-F293 HydrophobicContact CD1-CZ 4.21Å; T283-F293 HydrophobicContact CG2-CD1 3.59Å; T283-F293 HydrophobicContact CG2-CE1 3.63Å; T283-F293 HydrophobicContact CG2-CG 4.35Å; T283-F293 HydrophobicContact CG2-CZ 4.4Å; V291-F293 HydrophobicContact CB-CE2 3.7Å; V291-F293 HydrophobicContact CB-CZ 4.03Å; V291-F293 HydrophobicContact CG1-CD2 4.32Å; V291-F293 HydrophobicContact CG1-CE1 4.25Å; V291-F293 HydrophobicContact CG1-CE2 3.63Å; V291-F293 HydrophobicContact CG1-CZ 3.58Å; V291-F293 VanDerWaalsContact O-CD2 3.29Å; V291-F293 WeakPolarHBondContact O-CD2 3.5Å; V291-F293 WeakPolarHBondContact O-CE2 3.14Å | ||
| 294 | A | 84.4 | Confident | 85.6 | Confident | 51 Ų | 51 | 69 Ų | 69 | 42% | 0.421 | 38% | 0.375 | S | S | . | . | trans | -78.8 | 122.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K296 S297 I298 | A294-K296 VanDerWaalsContact C-N 3.27Å; A294-K296 PolarHBondContact O-N 3.44Å; A294-S297 WeakPolarHBondContact CB-OG 3.45Å; A294-S297 PolarHBondContact O-N 2.87Å; A294-S297 PolarHBondContact O-OG 2.9Å; A294-I298 WeakPolarHBondContact O-CG1 3.48Å; A294-I298 PolarHBondContact O-N 3.46Å; A294-I298 VanDerWaalsContact O-N 3.07Å | ||
| 295 | P | 85.7 | Confident | 85.5 | Confident | 70 Ų | 70 | 69.5 Ų | 69.5 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.5 | -26.8 | -171.6 | 24.8 | -34.3 | 0 | 0 | 0 | 113.3 | I216 C299 | I216-P295 HydrophobicContact CD1-CB 4.42Å; P295-C299 WeakPolarHBondContact O-CB 3.3Å; P295-C299 PolarHBondContact O-N 3.46Å |
| 296 | K | 88.4 | Confident | 85.7 | Confident | 184 Ų | 184 | 71.8 Ų | 71.8 | 80% | 0.8 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67.9 | -40.3 | 175.9 | -69.6 | -171.7 | 175.8 | -174.4 | 0 | 112.6 | A294 L300 | A294-K296 VanDerWaalsContact C-N 3.27Å; A294-K296 PolarHBondContact O-N 3.44Å; K296-L300 WeakPolarHBondContact O-CB 3.24Å; K296-L300 PolarHBondContact O-N 3.19Å |
| 297 | S | 87.3 | Confident | 86 | Confident | 44 Ų | 44 | 72.8 Ų | 72.8 | 31% | 0.308 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -78.1 | -32.7 | 177.3 | 48.5 | 0 | 0 | 0 | 0 | 112.4 | V292 A294 H301 | V292-S297 VanDerWaalsContact CG1-OG 3.24Å; V292-S297 WeakPolarHBondContact CG1-OG 3.47Å; A294-S297 WeakPolarHBondContact CB-OG 3.45Å; A294-S297 PolarHBondContact O-N 2.87Å; A294-S297 PolarHBondContact O-OG 2.9Å; S297-H301 WeakPolarHBondContact O-CB 3.11Å; S297-H301 PolarHBondContact O-N 3.13Å |
| 298 | I | 90.8 | Very high | 86.4 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.015 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.6 | -51.6 | 169.1 | -66.6 | 166.3 | 0 | 0 | 0 | 109.8 | I216 F280 T282 F284 A294 H301 Y302 | I216-I298 HydrophobicContact CD1-CD1 4.43Å; I216-I298 HydrophobicContact CG2-CD1 4.39Å; F280-I298 WeakPolarHBondContact O-CG2 3.26Å; T282-I298 VanDerWaalsContact O-CG2 3.23Å; T282-I298 WeakPolarHBondContact O-CG2 3.14Å; F284-I298 HydrophobicContact CD1-CG1 4.01Å; F284-I298 HydrophobicContact CE1-CG1 4.14Å; A294-I298 WeakPolarHBondContact O-CG1 3.48Å; A294-I298 PolarHBondContact O-N 3.46Å; A294-I298 VanDerWaalsContact O-N 3.07Å; I298-H301 PolarHBondContact O-N 3Å; I298-Y302 WeakPolarHBondContact O-CB 3.39Å; I298-Y302 PolarHBondContact O-N 3.3Å |
| 299 | C | 90.8 | Very high | 86.8 | Confident | 50 Ų | 50 | 68 Ų | 68 | 34% | 0.338 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.3 | -52.1 | 177.8 | 178.9 | 0 | 0 | 0 | 0 | 112.2 | F280 P295 H301 Y302 V303 | F280-C299 HydrophobicContact CD1-CB 4.18Å; F280-C299 HydrophobicContact CE1-CB 4.48Å; P295-C299 WeakPolarHBondContact O-CB 3.3Å; P295-C299 PolarHBondContact O-N 3.46Å; C299-H301 VanDerWaalsContact C-N 3.34Å; C299-H301 PolarHBondContact O-N 3.2Å; C299-Y302 PolarHBondContact O-N 3.22Å; C299-V303 WeakPolarHBondContact O-CB 3.37Å; C299-V303 VanDerWaalsContact O-CG2 3.27Å; C299-V303 WeakPolarHBondContact O-CG2 3.32Å; C299-V303 PolarHBondContact O-N 3.46Å |
| 300 | L | 90.9 | Very high | 87.5 | Confident | 122 Ų | 122 | 67.6 Ų | 67.6 | 64% | 0.639 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -57.3 | -47.3 | 178.7 | -171 | 75.2 | 0 | 0 | 0 | 111.6 | K296 V303 T304 | K296-L300 WeakPolarHBondContact O-CB 3.24Å; K296-L300 PolarHBondContact O-N 3.19Å; L300-V303 PolarHBondContact O-N 3.19Å; L300-T304 WeakPolarHBondContact O-CG2 3.12Å; L300-T304 PolarHBondContact O-N 3.25Å; L300-T304 PolarHBondContact O-OG1 3.39Å; L300-T304 VanDerWaalsContact O-OG1 3.07Å |
| 301 | H | 89.9 | Confident | 88 | Confident | 79 Ų | 79 | 65.1 Ų | 65.1 | 37% | 0.366 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | -179.3 | -176.7 | 48.5 | 0 | 0 | 0 | 112 | F284 S297 I298 C299 T304 T305 | F284-H301 HydrophobicContact CD1-CB 4.38Å; F284-H301 AromaticContact CD1-CD2 3.74Å; F284-H301 AromaticContact CD2-CD2 3.52Å; F284-H301 AromaticContact CD2-NE2 3.8Å; F284-H301 HydrophobicContact CE1-CB 3.94Å; F284-H301 AromaticContact CE2-CD2 3.81Å; F284-H301 AromaticContact CG-CD2 3.49Å; F284-H301 VanDerWaalsContact CG-CD2 3.49Å; F284-H301 WeakPolarHBondContact CG-CD2 3.23Å; F284-H301 HydrophobicContact CZ-CB 4.05Å; S297-H301 WeakPolarHBondContact O-CB 3.11Å; S297-H301 PolarHBondContact O-N 3.13Å; I298-H301 PolarHBondContact O-N 3Å; C299-H301 VanDerWaalsContact C-N 3.34Å; C299-H301 PolarHBondContact O-N 3.2Å; H301-T304 PolarHBondContact O-N 2.9Å; H301-T304 PolarHBondContact O-OG1 3.41Å; H301-T305 WeakPolarHBondContact O-CB 3.45Å; H301-T305 WeakPolarHBondContact O-CG2 3.33Å; H301-T305 PolarHBondContact O-N 2.76Å; H301-T305 PolarHBondContact O-OG1 2.92Å |
| 302 | Y | 91.4 | Very high | 88.1 | Confident | 18 Ų | 18 | 67.3 Ų | 67.3 | 7% | 0.071 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 178.3 | -179.6 | -128.6 | 0 | 0 | 0 | 112.5 | I276 N279 F280 I298 C299 T304 T305 W306 F307 D310 | I276-Y302 HydrophobicContact CG2-CE1 4.25Å; N279-Y302 HydrophobicContact CB-CD1 4.4Å; N279-Y302 HydrophobicContact CB-CD2 4.33Å; N279-Y302 HydrophobicContact CB-CE1 3.89Å; N279-Y302 HydrophobicContact CB-CE2 3.84Å; F280-Y302 AromaticContact CD1-CD1 3.8Å; F280-Y302 HydrophobicContact CD1-CD1 3.8Å; F280-Y302 HydrophobicContact CD1-CE1 4.45Å; F280-Y302 AromaticContact CD2-CD1 3.98Å; F280-Y302 HydrophobicContact CD2-CD1 3.98Å; F280-Y302 AromaticContact CD2-CE1 3.8Å; F280-Y302 HydrophobicContact CD2-CE1 3.8Å; F280-Y302 AromaticContact CE1-CD1 3.78Å; F280-Y302 HydrophobicContact CE1-CD1 3.78Å; F280-Y302 HydrophobicContact CE1-CE1 4.38Å; F280-Y302 AromaticContact CE2-CD1 3.96Å; F280-Y302 HydrophobicContact CE2-CD1 3.96Å; F280-Y302 AromaticContact CE2-CE1 3.72Å; F280-Y302 HydrophobicContact CE2-CE1 3.72Å; F280-Y302 AromaticContact CG-CD1 3.89Å; F280-Y302 HydrophobicContact CG-CD1 3.89Å; F280-Y302 HydrophobicContact CG-CE1 4.16Å; F280-Y302 AromaticContact CZ-CD1 3.85Å; F280-Y302 HydrophobicContact CZ-CD1 3.85Å; F280-Y302 HydrophobicContact CZ-CE1 4.02Å; I298-Y302 WeakPolarHBondContact O-CB 3.39Å; I298-Y302 PolarHBondContact O-N 3.3Å; C299-Y302 PolarHBondContact O-N 3.22Å; Y302-T304 VanDerWaalsContact C-N 3.32Å; Y302-T304 PolarHBondContact O-N 2.89Å; Y302-T305 PolarHBondContact O-N 3.38Å; Y302-T305 PolarHBondContact O-OG1 2.93Å; Y302-W306 HydrophobicContact CD2-CB 4.05Å; Y302-W306 HydrophobicContact CE2-CB 3.8Å; Y302-W306 PolarHBondContact O-N 3.5Å; Y302-W306 VanDerWaalsContact O-N 3.08Å; Y302-F307 HydrophobicContact CD1-CB 4.25Å; Y302-F307 HydrophobicContact CD1-CD2 4.48Å; Y302-F307 HydrophobicContact CE1-CB 4.16Å; Y302-F307 AromaticContact CE1-CD2 3.95Å; Y302-F307 HydrophobicContact CE1-CD2 3.95Å; Y302-F307 WeakPolarHBondContact O-CB 3.38Å; Y302-F307 PolarHBondContact O-N 3.23Å; Y302-F307 VanDerWaalsContact O-N 3.07Å; Y302-D310 VanDerWaalsContact CE2-OD2 3.31Å; Y302-D310 WeakPolarHBondContact CE2-OD2 3.44Å; Y302-D310 WeakPolarHBondContact OH-CB 3.46Å; Y302-D310 PolarHBondContact OH-OD2 2.88Å |
| 303 | V | 92.6 | Very high | 88 | Confident | 68 Ų | 68 | 65.9 Ų | 65.9 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.9 | -40.7 | 175.3 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | F280 C299 L300 T305 F307 | F280-V303 HydrophobicContact CE1-CG2 3.81Å; F280-V303 HydrophobicContact CZ-CG2 4.13Å; C299-V303 WeakPolarHBondContact O-CB 3.37Å; C299-V303 VanDerWaalsContact O-CG2 3.27Å; C299-V303 WeakPolarHBondContact O-CG2 3.32Å; C299-V303 PolarHBondContact O-N 3.46Å; L300-V303 PolarHBondContact O-N 3.19Å; V303-T305 VanDerWaalsContact C-N 3.31Å; V303-T305 PolarHBondContact O-N 2.98Å; V303-F307 HydrophobicContact CG2-CD1 4.27Å; V303-F307 HydrophobicContact CG2-CG 4.39Å |
| 304 | T | 90.6 | Very high | 88.2 | Confident | 101 Ų | 101 | 63.3 Ų | 63.3 | 62% | 0.62 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -6 | 179 | 56.2 | 0 | 0 | 0 | 0 | 115.5 | L300 H301 Y302 | L300-T304 WeakPolarHBondContact O-CG2 3.12Å; L300-T304 PolarHBondContact O-N 3.25Å; L300-T304 PolarHBondContact O-OG1 3.39Å; L300-T304 VanDerWaalsContact O-OG1 3.07Å; H301-T304 PolarHBondContact O-N 2.9Å; H301-T304 PolarHBondContact O-OG1 3.41Å; Y302-T304 VanDerWaalsContact C-N 3.32Å; Y302-T304 PolarHBondContact O-N 2.89Å |
| 305 | T | 86.5 | Confident | 88 | Confident | 58 Ų | 58 | 64 Ų | 64 | 36% | 0.356 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | -60.8 | -170.3 | 51.3 | 0 | 0 | 0 | 0 | 114.2 | H301 Y302 V303 | H301-T305 WeakPolarHBondContact O-CB 3.45Å; H301-T305 WeakPolarHBondContact O-CG2 3.33Å; H301-T305 PolarHBondContact O-N 2.76Å; H301-T305 PolarHBondContact O-OG1 2.92Å; Y302-T305 PolarHBondContact O-N 3.38Å; Y302-T305 PolarHBondContact O-OG1 2.93Å; V303-T305 VanDerWaalsContact C-N 3.31Å; V303-T305 PolarHBondContact O-N 2.98Å |
| 306 | W | 88.2 | Confident | 87.5 | Confident | 90 Ų | 90 | 62.5 Ų | 62.5 | 34% | 0.341 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -23.4 | -168.6 | -69.1 | 95.9 | 0 | 0 | 0 | 114.1 | Y302 L308 L309 D310 P347 | Y302-W306 HydrophobicContact CD2-CB 4.05Å; Y302-W306 HydrophobicContact CE2-CB 3.8Å; Y302-W306 PolarHBondContact O-N 3.5Å; Y302-W306 VanDerWaalsContact O-N 3.08Å; W306-L308 VanDerWaalsContact C-N 3.32Å; W306-L308 PolarHBondContact O-N 2.67Å; W306-L309 HydrophobicContact CE3-CD1 4.12Å; W306-L309 HydrophobicContact CZ3-CD1 4.19Å; W306-L309 PolarHBondContact O-N 2.83Å; W306-L309 VanDerWaalsContact O-N 3.16Å; W306-D310 WeakPolarHBondContact O-CB 3.31Å; W306-D310 PolarHBondContact O-N 2.87Å; W306-P347 HydrophobicContact CH2-CG 3.6Å; W306-P347 HydrophobicContact CZ2-CG 3.44Å; W306-P347 VanDerWaalsContact CZ2-CG 3.44Å; W306-P347 HydrophobicContact CZ3-CG 4.24Å |
| 307 | F | 90.3 | Very high | 86.7 | Confident | 65 Ų | 65 | 55 Ų | 55 | 29% | 0.285 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -52 | -43.2 | -174.6 | 175.4 | -113.2 | 0 | 0 | 0 | 114.4 | I276 F280 Y302 V303 D310 V311 | I276-F307 HydrophobicContact CG2-CD2 4.28Å; I276-F307 HydrophobicContact CG2-CE2 4.21Å; F280-F307 AromaticContact CE2-CD2 3.72Å; F280-F307 HydrophobicContact CE2-CD2 3.72Å; F280-F307 AromaticContact CE2-CE2 3.65Å; F280-F307 HydrophobicContact CE2-CE2 3.65Å; F280-F307 AromaticContact CZ-CD2 3.57Å; F280-F307 HydrophobicContact CZ-CD2 3.57Å; F280-F307 AromaticContact CZ-CE2 3.61Å; F280-F307 HydrophobicContact CZ-CE2 3.61Å; F280-F307 HydrophobicContact CZ-CG 4.24Å; F280-F307 HydrophobicContact CZ-CZ 4.31Å; Y302-F307 HydrophobicContact CD1-CB 4.25Å; Y302-F307 HydrophobicContact CD1-CD2 4.48Å; Y302-F307 HydrophobicContact CE1-CB 4.16Å; Y302-F307 AromaticContact CE1-CD2 3.95Å; Y302-F307 HydrophobicContact CE1-CD2 3.95Å; Y302-F307 WeakPolarHBondContact O-CB 3.38Å; Y302-F307 PolarHBondContact O-N 3.23Å; Y302-F307 VanDerWaalsContact O-N 3.07Å; V303-F307 HydrophobicContact CG2-CD1 4.27Å; V303-F307 HydrophobicContact CG2-CG 4.39Å; F307-D310 PolarHBondContact O-N 3.43Å; F307-V311 HydrophobicContact CD2-CG2 3.83Å; F307-V311 HydrophobicContact CE1-CG2 4.23Å; F307-V311 HydrophobicContact CE2-CG2 3.38Å; F307-V311 HydrophobicContact CG-CG2 4.41Å; F307-V311 HydrophobicContact CZ-CG2 3.62Å; F307-V311 WeakPolarHBondContact O-CB 3.41Å; F307-V311 VanDerWaalsContact O-CG2 3.31Å; F307-V311 WeakPolarHBondContact O-CG2 3.28Å; F307-V311 PolarHBondContact O-N 3.01Å |
| 308 | L | 89.1 | Confident | 85.8 | Confident | 120 Ų | 120 | 54.7 Ų | 54.7 | 63% | 0.628 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64.4 | -46.4 | -178.9 | -179.3 | 62.2 | 0 | 0 | 0 | 112 | W306 D310 V311 I312 | W306-L308 VanDerWaalsContact C-N 3.32Å; W306-L308 PolarHBondContact O-N 2.67Å; L308-D310 VanDerWaalsContact C-N 3.32Å; L308-V311 PolarHBondContact O-N 3.49Å; L308-I312 HydrophobicContact CD1-CD1 4.04Å; L308-I312 HydrophobicContact CG-CD1 4.04Å; L308-I312 WeakPolarHBondContact O-CD1 3.19Å; L308-I312 VanDerWaalsContact O-CG1 3.28Å; L308-I312 WeakPolarHBondContact O-CG1 3.42Å; L308-I312 PolarHBondContact O-N 2.84Å; L308-I312 VanDerWaalsContact O-N 3.09Å |
| 309 | L | 85.7 | Confident | 84.5 | Confident | 73 Ų | 73 | 59.3 Ų | 59.3 | 38% | 0.382 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63 | -42 | 175.4 | -64 | 175 | 0 | 0 | 0 | 110.7 | W306 I312 A313 | W306-L309 HydrophobicContact CE3-CD1 4.12Å; W306-L309 HydrophobicContact CZ3-CD1 4.19Å; W306-L309 PolarHBondContact O-N 2.83Å; W306-L309 VanDerWaalsContact O-N 3.16Å; L309-I312 PolarHBondContact O-N 3.03Å; L309-A313 WeakPolarHBondContact O-CB 3.49Å; L309-A313 PolarHBondContact O-N 3.15Å |
| 310 | D | 87.9 | Confident | 83.2 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.043 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.4 | -40.2 | -179.1 | -79.5 | -9.6 | 0 | 0 | 0 | 112.9 | I276 Y302 W306 F307 L308 A314 R344 | I276-D310 HydrophobicContact CD1-CB 4.28Å; I276-D310 HydrophobicContact CG1-CB 4.05Å; Y302-D310 VanDerWaalsContact CE2-OD2 3.31Å; Y302-D310 WeakPolarHBondContact CE2-OD2 3.44Å; Y302-D310 WeakPolarHBondContact OH-CB 3.46Å; Y302-D310 PolarHBondContact OH-OD2 2.88Å; W306-D310 WeakPolarHBondContact O-CB 3.31Å; W306-D310 PolarHBondContact O-N 2.87Å; F307-D310 PolarHBondContact O-N 3.43Å; L308-D310 VanDerWaalsContact C-N 3.32Å; D310-A314 VanDerWaalsContact O-CB 3.3Å; D310-A314 WeakPolarHBondContact O-CB 3.4Å; D310-A314 PolarHBondContact O-N 2.83Å; D310-A314 VanDerWaalsContact O-N 3.09Å; D310-R344 PolarHBondContact O-NH2 2.79Å; D310-R344 IonicContact OD1-CZ 2.72Å; D310-R344 IonicContact OD1-NE 3.58Å; D310-R344 PolarHBondContact OD1-NE 3.44Å; D310-R344 IonicContact OD1-NH2 3.31Å; D310-R344 PolarHBondContact OD1-NH2 2.82Å |
| 311 | V | 88.8 | Confident | 81.7 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 32% | 0.315 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.9 | -49.2 | 175.5 | 167.4 | 0 | 0 | 0 | 0 | 111.1 | I276 F307 L308 A313 A314 L315 | I276-V311 HydrophobicContact CD1-CG2 4.38Å; F307-V311 HydrophobicContact CD2-CG2 3.83Å; F307-V311 HydrophobicContact CE1-CG2 4.23Å; F307-V311 HydrophobicContact CE2-CG2 3.38Å; F307-V311 HydrophobicContact CG-CG2 4.41Å; F307-V311 HydrophobicContact CZ-CG2 3.62Å; F307-V311 WeakPolarHBondContact O-CB 3.41Å; F307-V311 VanDerWaalsContact O-CG2 3.31Å; F307-V311 WeakPolarHBondContact O-CG2 3.28Å; F307-V311 PolarHBondContact O-N 3.01Å; L308-V311 PolarHBondContact O-N 3.49Å; V311-A313 VanDerWaalsContact C-N 3.25Å; V311-A313 PolarHBondContact O-N 3.28Å; V311-A314 PolarHBondContact O-N 3.03Å; V311-L315 PolarHBondContact O-N 2.8Å |
| 312 | I | 85.4 | Confident | 80.2 | Confident | 61 Ų | 61 | 58.4 Ų | 58.4 | 31% | 0.313 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57 | -43.5 | 177.6 | -68.9 | 166.1 | 0 | 0 | 0 | 110.3 | L308 L309 A314 L315 V337 L340 | L308-I312 HydrophobicContact CD1-CD1 4.04Å; L308-I312 HydrophobicContact CG-CD1 4.04Å; L308-I312 WeakPolarHBondContact O-CD1 3.19Å; L308-I312 VanDerWaalsContact O-CG1 3.28Å; L308-I312 WeakPolarHBondContact O-CG1 3.42Å; L308-I312 PolarHBondContact O-N 2.84Å; L308-I312 VanDerWaalsContact O-N 3.09Å; L309-I312 PolarHBondContact O-N 3.03Å; I312-A314 VanDerWaalsContact C-N 3.27Å; I312-A314 PolarHBondContact O-N 2.87Å; I312-L315 PolarHBondContact O-N 2.99Å; I312-V337 HydrophobicContact CG2-CG1 3.73Å; I312-L340 HydrophobicContact CG2-CD1 4.09Å |
| 313 | A | 82.8 | Confident | 78.6 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 3% | 0.025 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.3 | -25.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | L309 V311 L340 R341 | L309-A313 WeakPolarHBondContact O-CB 3.49Å; L309-A313 PolarHBondContact O-N 3.15Å; V311-A313 VanDerWaalsContact C-N 3.25Å; V311-A313 PolarHBondContact O-N 3.28Å; A313-L340 HydrophobicContact CB-CB 4.46Å; A313-R341 HydrophobicContact CB-CG 3.77Å; A313-R341 VanDerWaalsContact O-CZ 3.27Å; A313-R341 PolarHBondContact O-NE 2.96Å; A313-R341 PolarHBondContact O-NH2 2.89Å |
| 314 | A | 84 | Confident | 76.9 | Confident | 9 Ų | 9 | 70.7 Ų | 70.7 | 7% | 0.074 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 0.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | I276 D310 V311 I312 P316 | I276-A314 HydrophobicContact CD1-CB 3.8Å; D310-A314 VanDerWaalsContact O-CB 3.3Å; D310-A314 WeakPolarHBondContact O-CB 3.4Å; D310-A314 PolarHBondContact O-N 2.83Å; D310-A314 VanDerWaalsContact O-N 3.09Å; V311-A314 PolarHBondContact O-N 3.03Å; I312-A314 VanDerWaalsContact C-N 3.27Å; I312-A314 PolarHBondContact O-N 2.87Å; A314-P316 WeakPolarHBondContact O-CD 3.27Å |
| 315 | L | 80.7 | Confident | 75.3 | Confident | 65 Ų | 65 | 70.3 Ų | 70.3 | 34% | 0.34 | 37% | 0.366 | S | S | . | . | trans | -66.9 | 123.8 | -176.5 | -69.3 | 173.7 | 0 | 0 | 0 | 112.9 | V311 I312 F317 | V311-L315 PolarHBondContact O-N 2.8Å; I312-L315 PolarHBondContact O-N 2.99Å; L315-F317 VanDerWaalsContact C-N 3.34Å; L315-F317 HydrophobicContact CB-CD2 4.15Å; L315-F317 HydrophobicContact CB-CE1 4.13Å; L315-F317 HydrophobicContact CB-CE2 3.66Å; L315-F317 HydrophobicContact CB-CZ 3.66Å; L315-F317 HydrophobicContact CD1-CE1 4.03Å; L315-F317 HydrophobicContact CD1-CE2 4.3Å; L315-F317 HydrophobicContact CD1-CZ 3.55Å; L315-F317 HydrophobicContact CG-CZ 4.26Å; L315-F317 WeakPolarHBondContact O-CD2 3.47Å; L315-F317 PolarHBondContact O-N 2.96Å | ||
| 316 | P | 75.4 | Confident | 73.7 | Confident | 40 Ų | 40 | 73.5 Ų | 73.5 | 26% | 0.26 | 38% | 0.381 | S | S | . | . | trans | -84.6 | 72.2 | -180 | 35 | -35.9 | 0 | 0 | 0 | 111.1 | E269 A314 D318 L319 | E269-P316 VanDerWaalsContact OE2-CB 3.28Å; E269-P316 WeakPolarHBondContact OE2-CB 3.43Å; A314-P316 WeakPolarHBondContact O-CD 3.27Å; P316-D318 PolarHBondContact O-N 3.18Å; P316-L319 HydrophobicContact CB-CB 4.34Å; P316-L319 WeakPolarHBondContact O-CB 3.35Å; P316-L319 PolarHBondContact O-N 2.94Å; P316-L319 VanDerWaalsContact O-N 3.07Å | ||
| 317 | F | 72.2 | Confident | 72.1 | Confident | 26 Ų | 26 | 72.7 Ų | 72.7 | 11% | 0.114 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.3 | -28.6 | -175.1 | -66.8 | -70.2 | 0 | 0 | 0 | 114.2 | L315 L319 L320 H321 L334 V337 | L315-F317 VanDerWaalsContact C-N 3.34Å; L315-F317 HydrophobicContact CB-CD2 4.15Å; L315-F317 HydrophobicContact CB-CE1 4.13Å; L315-F317 HydrophobicContact CB-CE2 3.66Å; L315-F317 HydrophobicContact CB-CZ 3.66Å; L315-F317 HydrophobicContact CD1-CE1 4.03Å; L315-F317 HydrophobicContact CD1-CE2 4.3Å; L315-F317 HydrophobicContact CD1-CZ 3.55Å; L315-F317 HydrophobicContact CG-CZ 4.26Å; L315-F317 WeakPolarHBondContact O-CD2 3.47Å; L315-F317 PolarHBondContact O-N 2.96Å; F317-L319 VanDerWaalsContact C-N 3.3Å; F317-L319 PolarHBondContact O-N 2.8Å; F317-L320 HydrophobicContact CD1-CD1 4.26Å; F317-L320 PolarHBondContact O-N 2.75Å; F317-H321 PolarHBondContact O-N 3.29Å; F317-H321 PolarHBondContact O-ND1 3.39Å; F317-L334 HydrophobicContact CD1-CD2 3.82Å; F317-L334 HydrophobicContact CE1-CD2 3.84Å; F317-L334 HydrophobicContact CE1-CG 4.43Å; F317-L334 HydrophobicContact CG-CD2 4.49Å; F317-V337 HydrophobicContact CE2-CB 4.07Å; F317-V337 HydrophobicContact CE2-CG1 4.12Å |
| 318 | D | 67.2 | Low | 70.4 | Confident | 38 Ų | 38 | 78.6 Ų | 78.6 | 20% | 0.203 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.5 | -37 | 176.1 | -66.8 | -53.7 | 0 | 0 | 0 | 112.2 | P316 L320 H321 A322 K335 R338 | P316-D318 PolarHBondContact O-N 3.18Å; D318-L320 VanDerWaalsContact C-N 3.33Å; D318-L320 PolarHBondContact O-N 3.41Å; D318-H321 PolarHBondContact O-N 3.01Å; D318-A322 PolarHBondContact O-N 3.38Å; D318-K335 WeakPolarHBondContact OD1-CE 3.21Å; D318-K335 IonicContact OD1-NZ 3.76Å; D318-K335 PolarHBondContact OD1-NZ 3.21Å; D318-R338 IonicContact OD2-CZ 2.67Å; D318-R338 IonicContact OD2-NH1 2.63Å; D318-R338 PolarHBondContact OD2-NH1 3.07Å; D318-R338 IonicContact OD2-NH2 3.45Å; D318-R338 PolarHBondContact OD2-NH2 2.59Å |
| 319 | L | 64.1 | Low | 68.5 | Low | 100 Ų | 100 | 80.8 Ų | 80.8 | 52% | 0.524 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.2 | -34.4 | 177.9 | -177.1 | 62.2 | 0 | 0 | 0 | 111.7 | P316 F317 A322 F323 | P316-L319 HydrophobicContact CB-CB 4.34Å; P316-L319 WeakPolarHBondContact O-CB 3.35Å; P316-L319 PolarHBondContact O-N 2.94Å; P316-L319 VanDerWaalsContact O-N 3.07Å; F317-L319 VanDerWaalsContact C-N 3.3Å; F317-L319 PolarHBondContact O-N 2.8Å; L319-A322 WeakPolarHBondContact O-CB 3.4Å; L319-A322 PolarHBondContact O-N 3.02Å; L319-F323 HydrophobicContact CD1-CE2 4.03Å; L319-F323 HydrophobicContact CD1-CZ 4.49Å; L319-F323 HydrophobicContact CG-CE2 3.96Å; L319-F323 WeakPolarHBondContact O-CD2 3.48Å |
| 320 | L | 63.9 | Low | 67.2 | Low | 93 Ų | 93 | 78.8 Ų | 78.8 | 49% | 0.487 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.2 | -34 | 177.5 | -64.6 | 174.9 | 0 | 0 | 0 | 112.4 | F317 D318 F323 | F317-L320 HydrophobicContact CD1-CD1 4.26Å; F317-L320 PolarHBondContact O-N 2.75Å; D318-L320 VanDerWaalsContact C-N 3.33Å; D318-L320 PolarHBondContact O-N 3.41Å; L320-F323 PolarHBondContact O-N 2.95Å |
| 321 | H | 58.9 | Low | 65.9 | Low | 61 Ų | 61 | 78.9 Ų | 78.9 | 28% | 0.282 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -72 | -30.8 | 175.9 | -69.2 | 90.9 | 0 | 0 | 0 | 112.6 | F317 D318 F323 K324 A331 | F317-H321 PolarHBondContact O-N 3.29Å; F317-H321 PolarHBondContact O-ND1 3.39Å; D318-H321 PolarHBondContact O-N 3.01Å; H321-F323 PolarHBondContact O-N 3.4Å; H321-K324 PolarHBondContact O-N 2.86Å; H321-A331 WeakPolarHBondContact NE2-CA 3.47Å; H321-A331 WeakPolarHBondContact NE2-CB 3.35Å |
| 322 | A | 58.8 | Low | 64.9 | Low | 78 Ų | 78 | 79.5 Ų | 79.5 | 65% | 0.645 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -60.3 | -25.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D318 L319 K324 | D318-A322 PolarHBondContact O-N 3.38Å; L319-A322 WeakPolarHBondContact O-CB 3.4Å; L319-A322 PolarHBondContact O-N 3.02Å; A322-K324 VanDerWaalsContact C-N 3.25Å; A322-K324 PolarHBondContact O-N 2.71Å |
| 323 | F | 58.2 | Low | 64.1 | Low | 148 Ų | 148 | 82.1 Ų | 82.1 | 65% | 0.649 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 19.9 | 176.7 | -68 | -62.3 | 0 | 0 | 0 | 114.9 | L319 L320 H321 V325 | L319-F323 HydrophobicContact CD1-CE2 4.03Å; L319-F323 HydrophobicContact CD1-CZ 4.49Å; L319-F323 HydrophobicContact CG-CE2 3.96Å; L319-F323 WeakPolarHBondContact O-CD2 3.48Å; L320-F323 PolarHBondContact O-N 2.95Å; H321-F323 PolarHBondContact O-N 3.4Å; F323-V325 VanDerWaalsContact C-N 3.27Å; F323-V325 PolarHBondContact O-N 3.07Å |
| 324 | K | 55.5 | Low | 63.6 | Low | 195 Ų | 195 | 85.4 Ų | 85.4 | 85% | 0.848 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 25 | 172.6 | -65.5 | -174.2 | 174.1 | -177.9 | 0 | 116.1 | H321 A322 N326 | H321-K324 PolarHBondContact O-N 2.86Å; A322-K324 VanDerWaalsContact C-N 3.25Å; A322-K324 PolarHBondContact O-N 2.71Å; K324-N326 PolarHBondContact O-N 3.26Å |
| 325 | V | 57.9 | Low | 63.3 | Low | 93 Ų | 93 | 86.5 Ų | 86.5 | 56% | 0.564 | 44% | 0.444 | S | S | * | . | trans | -71.1 | 116 | 169.2 | -171 | 0 | 0 | 0 | 0 | 108.3 | F323 V327 | F323-V325 VanDerWaalsContact C-N 3.27Å; F323-V325 PolarHBondContact O-N 3.07Å; V325-V327 VanDerWaalsContact C-N 3.29Å; V325-V327 HydrophobicContact CG1-CG2 3.99Å; V325-V327 PolarHBondContact O-N 3.13Å | ||
| 326 | N | 52.5 | Low | 63.4 | Low | 126 Ų | 126 | 85.7 Ų | 85.7 | 67% | 0.674 | 44% | 0.442 | S | S | * | . | trans | -80.5 | 66.8 | -166.1 | -161.9 | 22.5 | 0 | 0 | 0 | 113.4 | K324 Y328 | K324-N326 PolarHBondContact O-N 3.26Å; N326-Y328 PolarHBondContact O-N 2.88Å | ||
| 327 | V | 54.4 | Low | 63.8 | Low | 72 Ų | 72 | 85.6 Ų | 85.6 | 44% | 0.436 | 44% | 0.44 | S | S | . | . | trans | -89.5 | 93.1 | 179.5 | -173.2 | 0 | 0 | 0 | 0 | 110 | V325 F329 | V325-V327 VanDerWaalsContact C-N 3.29Å; V325-V327 HydrophobicContact CG1-CG2 3.99Å; V325-V327 PolarHBondContact O-N 3.13Å; V327-F329 PolarHBondContact O-N 3.02Å | ||
| 328 | Y | 54.9 | Low | 64.3 | Low | 189 Ų | 189 | 84.9 Ų | 84.9 | 74% | 0.741 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 135.8 | 176 | -85.9 | -96.5 | 0 | 0 | 0 | 112.4 | N326 G330 | N326-Y328 PolarHBondContact O-N 2.88Å; Y328-G330 PolarHBondContact O-N 3.33Å |
| 329 | F | 50 | Low | 65.2 | Low | 167 Ų | 167 | 85.1 Ų | 85.1 | 73% | 0.732 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | -53.1 | 168 | -139 | -111.7 | 0 | 0 | 0 | 117.6 | V327 A331 | V327-F329 PolarHBondContact O-N 3.02Å; F329-A331 PolarHBondContact O-N 3.35Å; F329-A331 VanDerWaalsContact O-N 3.1Å |
| 330 | G | 57.9 | Low | 66.2 | Low | 31 Ų | 31 | 83.9 Ų | 83.9 | 32% | 0.32 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.7 | -19.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y328 H332 L333 L334 | Y328-G330 PolarHBondContact O-N 3.33Å; G330-H332 VanDerWaalsContact C-N 3.31Å; G330-H332 PolarHBondContact O-N 3.02Å; G330-L333 PolarHBondContact O-N 3.44Å; G330-L334 PolarHBondContact O-N 3.25Å |
| 331 | A | 61.6 | Low | 67.1 | Low | 10 Ų | 10 | 79.7 Ų | 79.7 | 8% | 0.083 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -44.5 | -48 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | H321 F329 | H321-A331 WeakPolarHBondContact NE2-CA 3.47Å; H321-A331 WeakPolarHBondContact NE2-CB 3.35Å; F329-A331 PolarHBondContact O-N 3.35Å; F329-A331 VanDerWaalsContact O-N 3.1Å |
| 332 | H | 66.2 | Low | 68.4 | Low | 65 Ų | 65 | 78.3 Ų | 78.3 | 30% | 0.301 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -80.2 | -34.5 | -177.2 | -72.1 | -108.3 | 0 | 0 | 0 | 112.1 | G330 L334 K335 | G330-H332 VanDerWaalsContact C-N 3.31Å; G330-H332 PolarHBondContact O-N 3.02Å; H332-L334 VanDerWaalsContact C-N 3.28Å; H332-L334 PolarHBondContact O-N 3Å; H332-K335 WeakPolarHBondContact O-CB 3.39Å; H332-K335 WeakPolarHBondContact O-CG 3.26Å; H332-K335 PolarHBondContact O-N 3.3Å; H332-K335 VanDerWaalsContact O-N 3.15Å |
| 333 | L | 70.1 | Confident | 69.5 | Low | 115 Ų | 115 | 78 Ų | 78 | 60% | 0.602 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66 | -32.5 | 175.3 | -171.6 | 62.1 | 0 | 0 | 0 | 111.5 | G330 K335 T336 | G330-L333 PolarHBondContact O-N 3.44Å; L333-K335 PolarHBondContact O-N 3.1Å; L333-K335 VanDerWaalsContact O-N 3.12Å; L333-T336 HydrophobicContact CD1-CG2 4.04Å; L333-T336 WeakPolarHBondContact O-CB 3.47Å; L333-T336 WeakPolarHBondContact O-CG2 3.45Å; L333-T336 PolarHBondContact O-N 3.15Å; L333-T336 PolarHBondContact O-OG1 2.93Å |
| 334 | L | 72.1 | Confident | 70.4 | Confident | 73 Ų | 73 | 71.7 Ų | 71.7 | 38% | 0.382 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -57 | -24.6 | 173 | -117.4 | 67.4 | 0 | 0 | 0 | 113.5 | F317 G330 H332 T336 V337 | F317-L334 HydrophobicContact CD1-CD2 3.82Å; F317-L334 HydrophobicContact CE1-CD2 3.84Å; F317-L334 HydrophobicContact CE1-CG 4.43Å; F317-L334 HydrophobicContact CG-CD2 4.49Å; G330-L334 PolarHBondContact O-N 3.25Å; H332-L334 VanDerWaalsContact C-N 3.28Å; H332-L334 PolarHBondContact O-N 3Å; L334-T336 PolarHBondContact O-N 3.22Å; L334-V337 VanDerWaalsContact O-CB 3.3Å; L334-V337 WeakPolarHBondContact O-CB 3.49Å; L334-V337 VanDerWaalsContact O-CG2 3.3Å; L334-V337 WeakPolarHBondContact O-CG2 3.35Å; L334-V337 PolarHBondContact O-N 3.39Å |
| 335 | K | 77.2 | Confident | 71.5 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 14% | 0.135 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -63.9 | -27.1 | 174.4 | -54.6 | -168.4 | -166.5 | -155.7 | 0 | 112.2 | V242 V246 D318 H332 L333 V337 R338 | V242-K335 WeakPolarHBondContact CG1-O 3.46Å; V246-K335 HydrophobicContact CG2-CB 4.23Å; D318-K335 WeakPolarHBondContact OD1-CE 3.21Å; D318-K335 IonicContact OD1-NZ 3.76Å; D318-K335 PolarHBondContact OD1-NZ 3.21Å; H332-K335 WeakPolarHBondContact O-CB 3.39Å; H332-K335 WeakPolarHBondContact O-CG 3.26Å; H332-K335 PolarHBondContact O-N 3.3Å; H332-K335 VanDerWaalsContact O-N 3.15Å; L333-K335 PolarHBondContact O-N 3.1Å; L333-K335 VanDerWaalsContact O-N 3.12Å; K335-V337 PolarHBondContact O-N 3.16Å; K335-R338 VanDerWaalsContact O-CB 3.27Å; K335-R338 WeakPolarHBondContact O-CB 3.46Å; K335-R338 WeakPolarHBondContact O-CG 3.24Å; K335-R338 PolarHBondContact O-N 2.79Å |
| 336 | T | 82.3 | Confident | 72.3 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 30% | 0.301 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -64.7 | -20.4 | 177.2 | 66.9 | 0 | 0 | 0 | 0 | 113.3 | V246 L333 L334 R338 L339 | V246-T336 HydrophobicContact CG2-CG2 4.17Å; L333-T336 HydrophobicContact CD1-CG2 4.04Å; L333-T336 WeakPolarHBondContact O-CB 3.47Å; L333-T336 WeakPolarHBondContact O-CG2 3.45Å; L333-T336 PolarHBondContact O-N 3.15Å; L333-T336 PolarHBondContact O-OG1 2.93Å; L334-T336 PolarHBondContact O-N 3.22Å; T336-R338 PolarHBondContact O-N 2.95Å; T336-R338 VanDerWaalsContact O-N 3.13Å; T336-L339 VanDerWaalsContact O-CB 3.24Å; T336-L339 WeakPolarHBondContact O-CB 3.44Å; T336-L339 WeakPolarHBondContact O-CG 3.33Å; T336-L339 PolarHBondContact O-N 2.97Å |
| 337 | V | 83.3 | Confident | 73.3 | Confident | 37 Ų | 37 | 62.6 Ų | 62.6 | 22% | 0.224 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -57.3 | -27.3 | 171.5 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | I312 F317 L334 K335 L339 L340 | I312-V337 HydrophobicContact CG2-CG1 3.73Å; F317-V337 HydrophobicContact CE2-CB 4.07Å; F317-V337 HydrophobicContact CE2-CG1 4.12Å; L334-V337 VanDerWaalsContact O-CB 3.3Å; L334-V337 WeakPolarHBondContact O-CB 3.49Å; L334-V337 VanDerWaalsContact O-CG2 3.3Å; L334-V337 WeakPolarHBondContact O-CG2 3.35Å; L334-V337 PolarHBondContact O-N 3.39Å; K335-V337 PolarHBondContact O-N 3.16Å; V337-L339 PolarHBondContact O-N 3.14Å; V337-L340 HydrophobicContact CG1-CD1 3.98Å; V337-L340 VanDerWaalsContact O-CB 3.29Å; V337-L340 WeakPolarHBondContact O-CB 3.35Å; V337-L340 WeakPolarHBondContact O-CG 3.49Å; V337-L340 PolarHBondContact O-N 3.22Å; V337-L340 VanDerWaalsContact O-N 3.08Å |
| 338 | R | 83.3 | Confident | 74.2 | Confident | 12 Ų | 12 | 60.3 Ų | 60.3 | 5% | 0.045 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -62.5 | -20.8 | 172.8 | -65 | -179 | 168.4 | 142.6 | -1.2 | 113.3 | V238 V242 E269 D318 K335 T336 L340 R341 | V238-R338 HydrophobicContact CG1-CB 3.84Å; V242-R338 HydrophobicContact CG2-CB 4.02Å; E269-R338 IonicContact OE1-CZ 2.72Å; E269-R338 IonicContact OE1-NE 3.35Å; E269-R338 PolarHBondContact OE1-NE 2.98Å; E269-R338 IonicContact OE1-NH2 3.07Å; E269-R338 PolarHBondContact OE1-NH2 3.17Å; E269-R338 IonicContact OE2-NH2 2.69Å; D318-R338 IonicContact OD2-CZ 2.67Å; D318-R338 IonicContact OD2-NH1 2.63Å; D318-R338 PolarHBondContact OD2-NH1 3.07Å; D318-R338 IonicContact OD2-NH2 3.45Å; D318-R338 PolarHBondContact OD2-NH2 2.59Å; K335-R338 VanDerWaalsContact O-CB 3.27Å; K335-R338 WeakPolarHBondContact O-CB 3.46Å; K335-R338 WeakPolarHBondContact O-CG 3.24Å; K335-R338 PolarHBondContact O-N 2.79Å; T336-R338 PolarHBondContact O-N 2.95Å; T336-R338 VanDerWaalsContact O-N 3.13Å; R338-L340 PolarHBondContact O-N 3.45Å; R338-R341 VanDerWaalsContact O-CB 3.23Å; R338-R341 WeakPolarHBondContact O-CB 3.39Å; R338-R341 VanDerWaalsContact O-CD 3.3Å; R338-R341 WeakPolarHBondContact O-CD 3.07Å; R338-R341 WeakPolarHBondContact O-CG 3.43Å; R338-R341 PolarHBondContact O-N 2.87Å |
| 339 | L | 86.1 | Confident | 75 | Confident | 43 Ų | 43 | 55.6 Ų | 55.6 | 23% | 0.225 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -67.7 | -20.8 | 174.1 | -62.7 | 176.4 | 0 | 0 | 0 | 112.6 | V242 P243 T336 V337 R341 L342 W373 | V242-L339 HydrophobicContact CB-CD2 4.32Å; V242-L339 HydrophobicContact CG1-CD2 4.37Å; V242-L339 HydrophobicContact CG1-CG 4.27Å; P243-L339 HydrophobicContact CG-CD1 4.45Å; P243-L339 HydrophobicContact CG-CD2 4.18Å; T336-L339 VanDerWaalsContact O-CB 3.24Å; T336-L339 WeakPolarHBondContact O-CB 3.44Å; T336-L339 WeakPolarHBondContact O-CG 3.33Å; T336-L339 PolarHBondContact O-N 2.97Å; V337-L339 PolarHBondContact O-N 3.14Å; L339-R341 PolarHBondContact O-N 3.02Å; L339-L342 WeakPolarHBondContact O-CB 3.23Å; L339-L342 PolarHBondContact O-N 3.2Å; L339-W373 HydrophobicContact CD2-CZ2 4.17Å |
| 340 | L | 85 | Confident | 75.8 | Confident | 73 Ų | 73 | 52.2 Ų | 52.2 | 38% | 0.382 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -59 | -19.6 | 171.8 | -62.9 | 178.4 | 0 | 0 | 0 | 112.7 | I312 A313 V337 R338 L342 L343 | I312-L340 HydrophobicContact CG2-CD1 4.09Å; A313-L340 HydrophobicContact CB-CB 4.46Å; V337-L340 HydrophobicContact CG1-CD1 3.98Å; V337-L340 VanDerWaalsContact O-CB 3.29Å; V337-L340 WeakPolarHBondContact O-CB 3.35Å; V337-L340 WeakPolarHBondContact O-CG 3.49Å; V337-L340 PolarHBondContact O-N 3.22Å; V337-L340 VanDerWaalsContact O-N 3.08Å; R338-L340 PolarHBondContact O-N 3.45Å; L340-L342 PolarHBondContact O-N 3.36Å; L340-L342 VanDerWaalsContact O-N 3.12Å; L340-L343 HydrophobicContact CD2-CD1 4.43Å; L340-L343 WeakPolarHBondContact O-CB 3.43Å; L340-L343 PolarHBondContact O-N 3.49Å |
| 341 | R | 84 | Confident | 76.4 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 2% | 0.019 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -55.7 | -25.2 | 171.6 | -63.9 | 171.7 | -174.3 | -178.5 | 1.2 | 112.3 | T235 E269 F272 A313 R338 L339 L343 R344 | T235-R341 HydrophobicContact CG2-CB 4.16Å; T235-R341 WeakPolarHBondContact CG2-O 3.41Å; E269-R341 IonicContact OE1-NH2 3.18Å; E269-R341 PolarHBondContact OE1-NH2 3.37Å; F272-R341 HydrophobicContact CE1-CB 4.39Å; F272-R341 HydrophobicContact CE1-CG 4.39Å; F272-R341 HydrophobicContact CE2-CG 4.49Å; F272-R341 HydrophobicContact CZ-CB 4.3Å; F272-R341 HydrophobicContact CZ-CG 4.32Å; A313-R341 HydrophobicContact CB-CG 3.77Å; A313-R341 VanDerWaalsContact O-CZ 3.27Å; A313-R341 PolarHBondContact O-NE 2.96Å; A313-R341 PolarHBondContact O-NH2 2.89Å; R338-R341 VanDerWaalsContact O-CB 3.23Å; R338-R341 WeakPolarHBondContact O-CB 3.39Å; R338-R341 VanDerWaalsContact O-CD 3.3Å; R338-R341 WeakPolarHBondContact O-CD 3.07Å; R338-R341 WeakPolarHBondContact O-CG 3.43Å; R338-R341 PolarHBondContact O-N 2.87Å; L339-R341 PolarHBondContact O-N 3.02Å; R341-L343 VanDerWaalsContact C-N 3.3Å; R341-L343 PolarHBondContact O-N 3.34Å; R341-R344 WeakPolarHBondContact O-CB 3.2Å; R341-R344 PolarHBondContact O-N 3.49Å |
| 342 | L | 84.6 | Confident | 76.9 | Confident | 33 Ų | 33 | 56.7 Ų | 56.7 | 17% | 0.173 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -68.5 | -22.2 | 176 | -71.5 | 168.8 | 0 | 0 | 0 | 114 | A239 L339 L340 R344 L345 W373 | A239-L342 HydrophobicContact CB-CD1 3.95Å; A239-L342 HydrophobicContact CB-CD2 4.05Å; A239-L342 HydrophobicContact CB-CG 4.33Å; L339-L342 WeakPolarHBondContact O-CB 3.23Å; L339-L342 PolarHBondContact O-N 3.2Å; L340-L342 PolarHBondContact O-N 3.36Å; L340-L342 VanDerWaalsContact O-N 3.12Å; L342-R344 PolarHBondContact O-N 3.2Å; L342-L345 HydrophobicContact CD2-CD1 3.65Å; L342-L345 HydrophobicContact CD2-CG 4.4Å; L342-L345 VanDerWaalsContact O-CB 3.26Å; L342-L345 WeakPolarHBondContact O-CB 3.38Å; L342-L345 WeakPolarHBondContact O-CG 3.19Å; L342-L345 PolarHBondContact O-N 3.38Å; L342-W373 HydrophobicContact CD1-CH2 3.56Å; L342-W373 HydrophobicContact CD1-CZ2 3.54Å |
| 343 | L | 82.4 | Confident | 77.2 | Confident | 71 Ų | 71 | 55.7 Ų | 55.7 | 37% | 0.372 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -64.2 | -22.7 | 173.8 | -80.9 | 66.2 | 0 | 0 | 0 | 111.6 | L340 R341 L345 L346 P347 | L340-L343 HydrophobicContact CD2-CD1 4.43Å; L340-L343 WeakPolarHBondContact O-CB 3.43Å; L340-L343 PolarHBondContact O-N 3.49Å; R341-L343 VanDerWaalsContact C-N 3.3Å; R341-L343 PolarHBondContact O-N 3.34Å; L343-L345 PolarHBondContact O-N 2.94Å; L343-L345 VanDerWaalsContact O-N 3.16Å; L343-L346 HydrophobicContact CB-CD1 4.45Å; L343-L346 HydrophobicContact CG-CD1 4.32Å; L343-L346 WeakPolarHBondContact O-CB 3.29Å; L343-L346 PolarHBondContact O-N 2.86Å; L343-L346 VanDerWaalsContact O-N 3.13Å; L343-P347 WeakPolarHBondContact O-CD 3.39Å |
| 344 | R | 77.8 | Confident | 77.4 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 6% | 0.057 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -65 | -10.8 | 171.5 | -59.8 | -169.4 | -176.8 | -174.3 | 15.5 | 113.6 | D275 D310 R341 L342 | D275-R344 IonicContact OD2-CZ 3.49Å; D275-R344 IonicContact OD2-NH1 2.8Å; D275-R344 PolarHBondContact OD2-NH1 2.99Å; D310-R344 PolarHBondContact O-NH2 2.79Å; D310-R344 IonicContact OD1-CZ 2.72Å; D310-R344 IonicContact OD1-NE 3.58Å; D310-R344 PolarHBondContact OD1-NE 3.44Å; D310-R344 IonicContact OD1-NH2 3.31Å; D310-R344 PolarHBondContact OD1-NH2 2.82Å; R341-R344 WeakPolarHBondContact O-CB 3.2Å; R341-R344 PolarHBondContact O-N 3.49Å; L342-R344 PolarHBondContact O-N 3.2Å |
| 345 | L | 77.6 | Confident | 77.8 | Confident | 43 Ų | 43 | 56.9 Ų | 56.9 | 23% | 0.225 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -77.6 | -30.2 | 172.7 | -58.4 | -174.6 | 0 | 0 | 0 | 112.4 | L232 L342 L343 R348 L349 | L232-L345 HydrophobicContact CD1-CD2 3.51Å; L342-L345 HydrophobicContact CD2-CD1 3.65Å; L342-L345 HydrophobicContact CD2-CG 4.4Å; L342-L345 VanDerWaalsContact O-CB 3.26Å; L342-L345 WeakPolarHBondContact O-CB 3.38Å; L342-L345 WeakPolarHBondContact O-CG 3.19Å; L342-L345 PolarHBondContact O-N 3.38Å; L343-L345 PolarHBondContact O-N 2.94Å; L343-L345 VanDerWaalsContact O-N 3.16Å; L345-R348 PolarHBondContact O-N 2.89Å; L345-L349 PolarHBondContact O-N 2.82Å |
| 346 | L | 75.4 | Confident | 78 | Confident | 110 Ų | 110 | 56.8 Ų | 56.8 | 58% | 0.576 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -58.9 | -46.9 | -174.9 | -56.7 | 171.3 | 0 | 0 | 0 | 112.6 | L343 R348 L349 | L343-L346 HydrophobicContact CB-CD1 4.45Å; L343-L346 HydrophobicContact CG-CD1 4.32Å; L343-L346 WeakPolarHBondContact O-CB 3.29Å; L343-L346 PolarHBondContact O-N 2.86Å; L343-L346 VanDerWaalsContact O-N 3.13Å; L346-R348 PolarHBondContact O-N 3.12Å; L346-L349 PolarHBondContact O-N 3.43Å |
| 347 | P | 72.9 | Confident | 78 | Confident | 71 Ų | 71 | 57.8 Ų | 57.8 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -70.4 | -15.9 | 177.6 | -19.1 | 34.8 | 0 | 0 | 0 | 114.2 | W306 L343 | W306-P347 HydrophobicContact CH2-CG 3.6Å; W306-P347 HydrophobicContact CZ2-CG 3.44Å; W306-P347 VanDerWaalsContact CZ2-CG 3.44Å; W306-P347 HydrophobicContact CZ3-CG 4.24Å; L343-P347 WeakPolarHBondContact O-CD 3.39Å |
| 348 | R | 72.6 | Confident | 78 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -90.5 | -20.5 | 178 | -64.8 | -178.3 | 175.3 | 147.1 | 1.4 | 112.5 | D228 L345 L346 D350 R351 Y352 | D228-R348 PolarHBondContact O-NH1 3.48Å; D228-R348 IonicContact OD1-CZ 3.2Å; D228-R348 IonicContact OD1-NE 2.65Å; D228-R348 PolarHBondContact OD1-NE 2.91Å; D228-R348 IonicContact OD1-NH2 2.96Å; D228-R348 PolarHBondContact OD1-NH2 3.47Å; L345-R348 PolarHBondContact O-N 2.89Å; L346-R348 PolarHBondContact O-N 3.12Å; R348-D350 VanDerWaalsContact C-N 3.3Å; R348-D350 PolarHBondContact O-N 3.5Å; R348-R351 WeakPolarHBondContact O-CA 3.49Å; R348-R351 WeakPolarHBondContact O-CB 3.48Å; R348-R351 PolarHBondContact O-N 3.47Å; R348-Y352 HydrophobicContact CB-CD2 4.23Å; R348-Y352 HydrophobicContact CB-CE2 3.83Å; R348-Y352 VanDerWaalsContact O-CD2 3.29Å; R348-Y352 WeakPolarHBondContact O-CD2 3.3Å; R348-Y352 PolarHBondContact O-N 2.69Å |
| 349 | L | 71.8 | Confident | 78.1 | Confident | 89 Ų | 89 | 59.7 Ų | 59.7 | 47% | 0.466 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.7 | -38.1 | -176.1 | -162.4 | 151.7 | 0 | 0 | 0 | 112.1 | L345 L346 R351 Y352 S353 L362 | L345-L349 PolarHBondContact O-N 2.82Å; L346-L349 PolarHBondContact O-N 3.43Å; L349-R351 PolarHBondContact O-N 2.87Å; L349-Y352 PolarHBondContact O-N 2.89Å; L349-Y352 VanDerWaalsContact O-N 3.17Å; L349-S353 VanDerWaalsContact O-CB 3.29Å; L349-S353 WeakPolarHBondContact O-CB 3.37Å; L349-S353 PolarHBondContact O-N 2.85Å; L349-S353 PolarHBondContact O-OG 3.07Å; L349-L362 HydrophobicContact CD1-CD2 4.47Å; L349-L362 HydrophobicContact CG-CD2 4.47Å |
| 350 | D | 68.5 | Low | 78.1 | Confident | 97 Ų | 97 | 60.1 Ų | 60.1 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.1 | -23.3 | 173 | -95.7 | -36.2 | 0 | 0 | 0 | 114.6 | R348 S353 Q354 | R348-D350 VanDerWaalsContact C-N 3.3Å; R348-D350 PolarHBondContact O-N 3.5Å; D350-S353 PolarHBondContact O-OG 3.28Å; D350-Q354 PolarHBondContact O-NE2 3.08Å |
| 351 | R | 70.8 | Confident | 78.2 | Confident | 76 Ų | 76 | 61.1 Ų | 61.1 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -78.1 | -40.5 | 173.7 | -166.8 | 175.1 | -66.4 | -154.9 | -1.7 | 110.8 | H219 R348 L349 Q354 | H219-R351 PolarHBondContact O-NH1 2.82Å; H219-R351 PolarHBondContact O-NH2 2.89Å; R348-R351 WeakPolarHBondContact O-CA 3.49Å; R348-R351 WeakPolarHBondContact O-CB 3.48Å; R348-R351 PolarHBondContact O-N 3.47Å; L349-R351 PolarHBondContact O-N 2.87Å; R351-Q354 PolarHBondContact O-NE2 3.35Å; R351-Q354 VanDerWaalsContact O-NE2 3.17Å |
| 352 | Y | 71.2 | Confident | 78.3 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 23% | 0.227 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -81.1 | -29.1 | -178.3 | -61.6 | -56.5 | 0 | 0 | 0 | 113.4 | L232 R348 L349 Q354 Y355 V358 | L232-Y352 HydrophobicContact CD2-CE2 4.45Å; R348-Y352 HydrophobicContact CB-CD2 4.23Å; R348-Y352 HydrophobicContact CB-CE2 3.83Å; R348-Y352 VanDerWaalsContact O-CD2 3.29Å; R348-Y352 WeakPolarHBondContact O-CD2 3.3Å; R348-Y352 PolarHBondContact O-N 2.69Å; L349-Y352 PolarHBondContact O-N 2.89Å; L349-Y352 VanDerWaalsContact O-N 3.17Å; Y352-Q354 PolarHBondContact O-N 3.44Å; Y352-Y355 PolarHBondContact O-N 3.31Å; Y352-V358 HydrophobicContact CD1-CG1 3.92Å; Y352-V358 HydrophobicContact CG-CG1 4.17Å |
| 353 | S | 71.9 | Confident | 78.4 | Confident | 45 Ų | 45 | 63 Ų | 63 | 32% | 0.315 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15.7 | -177 | 66.1 | 0 | 0 | 0 | 0 | 115.2 | L349 D350 Y355 | L349-S353 VanDerWaalsContact O-CB 3.29Å; L349-S353 WeakPolarHBondContact O-CB 3.37Å; L349-S353 PolarHBondContact O-N 2.85Å; L349-S353 PolarHBondContact O-OG 3.07Å; D350-S353 PolarHBondContact O-OG 3.28Å; S353-Y355 VanDerWaalsContact C-N 3.29Å; S353-Y355 PolarHBondContact O-N 2.98Å |
| 354 | Q | 74.8 | Confident | 78.8 | Confident | 61 Ų | 61 | 64.5 Ų | 64.5 | 29% | 0.285 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -36.7 | 172.5 | -67.8 | 160 | 61.7 | 0 | 0 | 112.1 | P2 A3 D350 R351 Y352 R506 | P2-Q354 HydrophobicContact CB-CG 4.39Å; A3-Q354 VanDerWaalsContact N-NE2 3.11Å; D350-Q354 PolarHBondContact O-NE2 3.08Å; R351-Q354 PolarHBondContact O-NE2 3.35Å; R351-Q354 VanDerWaalsContact O-NE2 3.17Å; Y352-Q354 PolarHBondContact O-N 3.44Å; Q354-R506 PolarHBondContact O-NH1 2.81Å |
| 355 | Y | 81 | Confident | 79.4 | Confident | 151 Ų | 151 | 65.6 Ų | 65.6 | 59% | 0.592 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -102.1 | 101.1 | -173.5 | -62.4 | -82.7 | 0 | 0 | 0 | 110.5 | Y352 S353 A357 V358 V359 | Y352-Y355 PolarHBondContact O-N 3.31Å; S353-Y355 VanDerWaalsContact C-N 3.29Å; S353-Y355 PolarHBondContact O-N 2.98Å; Y355-A357 VanDerWaalsContact C-N 3.25Å; Y355-A357 PolarHBondContact O-N 3.34Å; Y355-A357 VanDerWaalsContact O-N 3.12Å; Y355-V358 WeakPolarHBondContact O-CA 3.28Å; Y355-V358 WeakPolarHBondContact O-CB 3.47Å; Y355-V358 PolarHBondContact O-N 3.26Å; Y355-V359 PolarHBondContact O-N 3.15Å; Y355-V359 VanDerWaalsContact O-N 3.12Å |
| 356 | S | 80.8 | Confident | 80 | Confident | 29 Ų | 29 | 66.7 Ų | 66.7 | 20% | 0.203 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -49 | -40 | -178.2 | -78.2 | 0 | 0 | 0 | 0 | 114.6 | V358 V359 L360 I503 R506 | S356-V358 PolarHBondContact O-N 3.3Å; S356-V359 PolarHBondContact O-N 3.06Å; S356-L360 PolarHBondContact O-N 3.23Å; S356-I503 WeakPolarHBondContact O-CD1 3.38Å; S356-R506 PolarHBondContact OG-NH1 3.05Å |
| 357 | A | 81.7 | Confident | 80.8 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.5 | -33.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y355 L360 T361 | Y355-A357 VanDerWaalsContact C-N 3.25Å; Y355-A357 PolarHBondContact O-N 3.34Å; Y355-A357 VanDerWaalsContact O-N 3.12Å; A357-L360 PolarHBondContact O-N 2.87Å; A357-T361 PolarHBondContact O-N 3.11Å; A357-T361 PolarHBondContact O-OG1 2.95Å |
| 358 | V | 84.8 | Confident | 81.8 | Confident | 53 Ų | 53 | 61.9 Ų | 61.9 | 32% | 0.321 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -75 | -31.7 | 178 | -173.5 | 0 | 0 | 0 | 0 | 111.1 | Y352 Y355 S356 L360 T361 L362 | Y352-V358 HydrophobicContact CD1-CG1 3.92Å; Y352-V358 HydrophobicContact CG-CG1 4.17Å; Y355-V358 WeakPolarHBondContact O-CA 3.28Å; Y355-V358 WeakPolarHBondContact O-CB 3.47Å; Y355-V358 PolarHBondContact O-N 3.26Å; S356-V358 PolarHBondContact O-N 3.3Å; V358-L360 VanDerWaalsContact C-N 3.34Å; V358-T361 PolarHBondContact O-OG1 3.07Å; V358-L362 WeakPolarHBondContact O-CB 3.31Å; V358-L362 PolarHBondContact O-N 3.08Å |
| 359 | V | 84.8 | Confident | 82.8 | Confident | 36 Ų | 36 | 61.9 Ų | 61.9 | 22% | 0.218 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 169.5 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | Y355 S356 L362 L363 | Y355-V359 PolarHBondContact O-N 3.15Å; Y355-V359 VanDerWaalsContact O-N 3.12Å; S356-V359 PolarHBondContact O-N 3.06Å; V359-L362 PolarHBondContact O-N 3.2Å; V359-L363 VanDerWaalsContact O-CB 3.31Å; V359-L363 WeakPolarHBondContact O-CB 3.5Å; V359-L363 PolarHBondContact O-N 2.88Å |
| 360 | L | 85.6 | Confident | 83.9 | Confident | 53 Ų | 53 | 59.3 Ų | 59.3 | 28% | 0.277 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.1 | -46.1 | 178.6 | -175.2 | 59.5 | 0 | 0 | 0 | 112.3 | S356 A357 V358 L362 L363 M364 V500 I503 | S356-L360 PolarHBondContact O-N 3.23Å; A357-L360 PolarHBondContact O-N 2.87Å; V358-L360 VanDerWaalsContact C-N 3.34Å; L360-L362 PolarHBondContact O-N 3.38Å; L360-L363 PolarHBondContact O-N 2.84Å; L360-M364 HydrophobicContact CD1-CG 4.47Å; L360-M364 WeakPolarHBondContact O-CG 3.46Å; L360-M364 PolarHBondContact O-N 3.01Å; L360-V500 HydrophobicContact CD1-CG2 3.67Å; L360-I503 HydrophobicContact CB-CD1 3.87Å; L360-I503 HydrophobicContact CD2-CD1 4.46Å |
| 361 | T | 87.8 | Confident | 85.2 | Confident | 93 Ų | 93 | 54.7 Ų | 54.7 | 57% | 0.571 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67.2 | -36.1 | 178 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | A357 V358 A365 | A357-T361 PolarHBondContact O-N 3.11Å; A357-T361 PolarHBondContact O-OG1 2.95Å; V358-T361 PolarHBondContact O-OG1 3.07Å; T361-A365 WeakPolarHBondContact O-CB 3.44Å; T361-A365 PolarHBondContact O-N 3.42Å |
| 362 | L | 85.1 | Confident | 86.4 | Confident | 55 Ų | 55 | 52.1 Ų | 52.1 | 29% | 0.288 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 171.1 | 178.6 | 62.7 | 0 | 0 | 0 | 111.5 | L349 V358 V359 L360 A365 V366 | L349-L362 HydrophobicContact CD1-CD2 4.47Å; L349-L362 HydrophobicContact CG-CD2 4.47Å; V358-L362 WeakPolarHBondContact O-CB 3.31Å; V358-L362 PolarHBondContact O-N 3.08Å; V359-L362 PolarHBondContact O-N 3.2Å; L360-L362 PolarHBondContact O-N 3.38Å; L362-A365 PolarHBondContact O-N 3.35Å; L362-V366 WeakPolarHBondContact O-CG2 3.31Å; L362-V366 PolarHBondContact O-N 2.98Å |
| 363 | L | 87.6 | Confident | 87.5 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 12% | 0.12 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68 | -39.6 | -179.4 | -171.7 | 61.5 | 0 | 0 | 0 | 112.2 | V359 L360 A365 V366 F367 M492 V495 V496 N499 | V359-L363 VanDerWaalsContact O-CB 3.31Å; V359-L363 WeakPolarHBondContact O-CB 3.5Å; V359-L363 PolarHBondContact O-N 2.88Å; L360-L363 PolarHBondContact O-N 2.84Å; L363-A365 VanDerWaalsContact C-N 3.34Å; L363-V366 PolarHBondContact O-N 3.03Å; L363-F367 PolarHBondContact O-N 2.93Å; L363-M492 HydrophobicContact CD1-CE 3.88Å; L363-V495 HydrophobicContact CD1-CG1 4.09Å; L363-V495 HydrophobicContact CD2-CG1 4.21Å; L363-V496 HydrophobicContact CD2-CB 4.35Å; L363-V496 HydrophobicContact CD2-CG2 3.83Å; L363-V496 HydrophobicContact CG-CG2 3.92Å; L363-N499 HydrophobicContact CD2-CB 4.04Å |
| 364 | M | 90.3 | Very high | 88.7 | Confident | 102 Ų | 102 | 51.9 Ų | 51.9 | 50% | 0.502 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.1 | -36.1 | 172.2 | -66.2 | -60.8 | -70.5 | 0 | 0 | 112.1 | L360 F367 A368 | L360-M364 HydrophobicContact CD1-CG 4.47Å; L360-M364 WeakPolarHBondContact O-CG 3.46Å; L360-M364 PolarHBondContact O-N 3.01Å; M364-F367 PolarHBondContact O-N 3.41Å; M364-A368 PolarHBondContact O-N 2.79Å |
| 365 | A | 90.4 | Very high | 89.6 | Confident | 38 Ų | 38 | 49 Ų | 49 | 31% | 0.314 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68 | -38 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T361 L362 L363 A368 L369 | T361-A365 WeakPolarHBondContact O-CB 3.44Å; T361-A365 PolarHBondContact O-N 3.42Å; L362-A365 PolarHBondContact O-N 3.35Å; L363-A365 VanDerWaalsContact C-N 3.34Å; A365-A368 PolarHBondContact O-N 3.45Å; A365-L369 WeakPolarHBondContact O-CB 3.3Å; A365-L369 WeakPolarHBondContact O-CG 3.37Å; A365-L369 PolarHBondContact O-N 3.15Å |
| 366 | V | 90.7 | Very high | 90.3 | Very high | 66 Ų | 66 | 41.9 Ų | 41.9 | 40% | 0.4 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.7 | -41.1 | 172.7 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | L362 L363 L369 L370 M492 | L362-V366 WeakPolarHBondContact O-CG2 3.31Å; L362-V366 PolarHBondContact O-N 2.98Å; L363-V366 PolarHBondContact O-N 3.03Å; V366-L369 PolarHBondContact O-N 3.37Å; V366-L370 WeakPolarHBondContact O-CB 3.41Å; V366-L370 PolarHBondContact O-N 3.2Å; V366-M492 HydrophobicContact CG1-CE 4.49Å |
| 367 | F | 92.4 | Very high | 90.8 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 11% | 0.114 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 173.8 | 178 | -93.4 | 0 | 0 | 0 | 112 | L363 M364 L369 L370 A371 L460 L463 T464 | L363-F367 PolarHBondContact O-N 2.93Å; M364-F367 PolarHBondContact O-N 3.41Å; F367-L369 PolarHBondContact O-N 2.94Å; F367-L370 PolarHBondContact O-N 2.97Å; F367-A371 PolarHBondContact O-N 3.06Å; F367-L460 HydrophobicContact CE1-CD2 4.11Å; F367-L463 HydrophobicContact CE2-CB 3.96Å; F367-L463 HydrophobicContact CZ-CB 4.1Å; F367-T464 HydrophobicContact CE1-CG2 4.37Å; F367-T464 HydrophobicContact CZ-CG2 3.74Å |
| 368 | A | 93.9 | Very high | 91.5 | Very high | 55 Ų | 55 | 40.1 Ų | 40.1 | 46% | 0.455 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.7 | -39.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M364 A365 A371 H372 | M364-A368 PolarHBondContact O-N 2.79Å; A365-A368 PolarHBondContact O-N 3.45Å; A368-A371 PolarHBondContact O-N 3.18Å; A368-H372 WeakPolarHBondContact O-CB 3.36Å; A368-H372 PolarHBondContact O-N 2.94Å |
| 369 | L | 93.6 | Very high | 91.8 | Very high | 24 Ų | 24 | 38.1 Ų | 38.1 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.9 | -41.1 | 173.4 | -80.3 | 173.5 | 0 | 0 | 0 | 112.4 | L236 A239 V240 A365 V366 F367 H372 W373 | L236-L369 HydrophobicContact CD1-CD1 3.81Å; L236-L369 HydrophobicContact CD1-CD2 4.03Å; L236-L369 HydrophobicContact CD1-CG 4.05Å; A239-L369 HydrophobicContact CB-CD1 4.24Å; A239-L369 HydrophobicContact CB-CD2 3.72Å; V240-L369 HydrophobicContact CG2-CD2 3.73Å; A365-L369 WeakPolarHBondContact O-CB 3.3Å; A365-L369 WeakPolarHBondContact O-CG 3.37Å; A365-L369 PolarHBondContact O-N 3.15Å; V366-L369 PolarHBondContact O-N 3.37Å; F367-L369 PolarHBondContact O-N 2.94Å; L369-H372 WeakPolarHBondContact O-CB 3.3Å; L369-H372 PolarHBondContact O-N 2.9Å; L369-W373 VanDerWaalsContact O-CD1 3.25Å; L369-W373 VanDerWaalsContact O-CG 3.27Å; L369-W373 PolarHBondContact O-N 3.16Å |
| 370 | L | 94.4 | Very high | 92 | Very high | 34 Ų | 34 | 40.2 Ų | 40.2 | 18% | 0.178 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 176 | 178.4 | 67.8 | 0 | 0 | 0 | 111 | V366 F367 H372 W373 V374 L463 I488 M492 | V366-L370 WeakPolarHBondContact O-CB 3.41Å; V366-L370 PolarHBondContact O-N 3.2Å; F367-L370 PolarHBondContact O-N 2.97Å; L370-H372 VanDerWaalsContact C-N 3.31Å; L370-H372 PolarHBondContact O-N 2.95Å; L370-W373 PolarHBondContact O-N 3.02Å; L370-W373 VanDerWaalsContact O-N 3.16Å; L370-V374 HydrophobicContact CD1-CG2 4.3Å; L370-V374 HydrophobicContact CG-CG2 4.45Å; L370-V374 WeakPolarHBondContact O-CB 3.14Å; L370-V374 WeakPolarHBondContact O-CG2 3.3Å; L370-V374 PolarHBondContact O-N 3.35Å; L370-L463 HydrophobicContact CD2-CD1 4.19Å; L370-L463 HydrophobicContact CD2-CD2 3.9Å; L370-L463 HydrophobicContact CG-CD1 4.01Å; L370-L463 HydrophobicContact CG-CD2 4.39Å; L370-I488 HydrophobicContact CD1-CG2 4.27Å; L370-I488 HydrophobicContact CD2-CG2 3.68Å; L370-M492 HydrophobicContact CD2-CG 3.69Å |
| 371 | A | 95.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.1 | -41.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | F367 A368 W373 V374 A375 L456 A459 L460 L463 | F367-A371 PolarHBondContact O-N 3.06Å; A368-A371 PolarHBondContact O-N 3.18Å; A371-W373 PolarHBondContact O-N 2.89Å; A371-V374 PolarHBondContact O-N 2.75Å; A371-A375 WeakPolarHBondContact O-CB 3.38Å; A371-A375 PolarHBondContact O-N 2.93Å; A371-L456 HydrophobicContact CB-CD1 4.4Å; A371-A459 VanDerWaalsContact O-CB 3.31Å; A371-A459 WeakPolarHBondContact O-CB 3.17Å; A371-L460 HydrophobicContact CB-CD2 3.57Å; A371-L460 HydrophobicContact CB-CG 4.05Å; A371-L463 VanDerWaalsContact CA-CD1 3.45Å; A371-L463 HydrophobicContact CB-CD1 3.78Å |
| 372 | H | 95.8 | Very high | 92.2 | Very high | 22 Ų | 22 | 34.8 Ų | 34.8 | 10% | 0.102 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61 | -39.9 | 173.3 | -179.7 | 80.4 | 0 | 0 | 0 | 112.6 | V240 A368 L369 L370 C376 Y452 | V240-H372 WeakPolarHBondContact CA-NE2 3.46Å; V240-H372 PolarHBondContact O-NE2 2.83Å; A368-H372 WeakPolarHBondContact O-CB 3.36Å; A368-H372 PolarHBondContact O-N 2.94Å; L369-H372 WeakPolarHBondContact O-CB 3.3Å; L369-H372 PolarHBondContact O-N 2.9Å; L370-H372 VanDerWaalsContact C-N 3.31Å; L370-H372 PolarHBondContact O-N 2.95Å; H372-C376 PolarHBondContact O-N 3.16Å; H372-C376 PolarHBondContact O-SG 3.09Å; H372-Y452 PolarHBondContact CE1-OH 2.83Å; H372-Y452 PolarHBondContact ND1-OH 2.75Å |
| 373 | W | 95.4 | Very high | 92.1 | Very high | 88 Ų | 88 | 33.2 Ų | 33.2 | 33% | 0.333 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -71 | -45.1 | 177.4 | -68.4 | 1.7 | 0 | 0 | 0 | 112.5 | A239 L339 L342 L369 L370 A371 A375 C376 V377 | A239-W373 HydrophobicContact CB-CZ2 4.38Å; A239-W373 PolarHBondContact O-NE1 3.4Å; L339-W373 HydrophobicContact CD2-CZ2 4.17Å; L342-W373 HydrophobicContact CD1-CH2 3.56Å; L342-W373 HydrophobicContact CD1-CZ2 3.54Å; L369-W373 VanDerWaalsContact O-CD1 3.25Å; L369-W373 VanDerWaalsContact O-CG 3.27Å; L369-W373 PolarHBondContact O-N 3.16Å; L370-W373 PolarHBondContact O-N 3.02Å; L370-W373 VanDerWaalsContact O-N 3.16Å; A371-W373 PolarHBondContact O-N 2.89Å; W373-A375 VanDerWaalsContact C-N 3.28Å; W373-A375 PolarHBondContact O-N 3.16Å; W373-C376 PolarHBondContact O-N 3.13Å; W373-V377 WeakPolarHBondContact O-CG2 3.43Å; W373-V377 PolarHBondContact O-N 3.04Å |
| 374 | V | 95.6 | Very high | 91.9 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.6 | -42.6 | 174.2 | 169.2 | 0 | 0 | 0 | 0 | 110.2 | L370 A371 C376 V377 W378 A459 L463 F481 T485 | L370-V374 HydrophobicContact CD1-CG2 4.3Å; L370-V374 HydrophobicContact CG-CG2 4.45Å; L370-V374 WeakPolarHBondContact O-CB 3.14Å; L370-V374 WeakPolarHBondContact O-CG2 3.3Å; L370-V374 PolarHBondContact O-N 3.35Å; A371-V374 PolarHBondContact O-N 2.75Å; V374-C376 PolarHBondContact O-N 2.81Å; V374-V377 PolarHBondContact O-N 3.4Å; V374-W378 VanDerWaalsContact O-CB 3.29Å; V374-W378 WeakPolarHBondContact O-CB 3.41Å; V374-W378 PolarHBondContact O-N 3.23Å; V374-A459 HydrophobicContact CB-CB 3.9Å; V374-A459 HydrophobicContact CG1-CB 3.55Å; V374-L463 HydrophobicContact CB-CD1 4.46Å; V374-L463 HydrophobicContact CG2-CD1 4.23Å; V374-F481 HydrophobicContact CB-CZ 4.35Å; V374-F481 HydrophobicContact CG1-CE1 3.89Å; V374-F481 HydrophobicContact CG1-CZ 3.82Å; V374-T485 HydrophobicContact CG1-CG2 3.62Å; V374-T485 HydrophobicContact CG2-CG2 4.34Å |
| 375 | A | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63 | -39.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A371 W373 F379 S455 L456 A459 | A371-A375 WeakPolarHBondContact O-CB 3.38Å; A371-A375 PolarHBondContact O-N 2.93Å; W373-A375 VanDerWaalsContact C-N 3.28Å; W373-A375 PolarHBondContact O-N 3.16Å; A375-F379 VanDerWaalsContact O-CB 3.32Å; A375-F379 WeakPolarHBondContact O-CB 3.39Å; A375-F379 PolarHBondContact O-N 3.16Å; A375-S455 WeakPolarHBondContact O-CB 3.32Å; A375-S455 PolarHBondContact O-OG 2.89Å; A375-L456 HydrophobicContact CB-CB 4.02Å; A375-L456 HydrophobicContact CB-CD1 3.91Å; A375-A459 HydrophobicContact CB-CB 3.91Å |
| 376 | C | 93.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.1 | -43.4 | 175.6 | -70.9 | 0 | 0 | 0 | 0 | 111.6 | P243 C247 H372 W373 V374 F379 Y380 | P243-C376 HydrophobicContact CB-CB 4.1Å; C247-C376 PolarHBondContact SG-O 3.22Å; H372-C376 PolarHBondContact O-N 3.16Å; H372-C376 PolarHBondContact O-SG 3.09Å; W373-C376 PolarHBondContact O-N 3.13Å; V374-C376 PolarHBondContact O-N 2.81Å; C376-F379 PolarHBondContact O-N 2.88Å; C376-Y380 WeakPolarHBondContact O-CB 3.37Å; C376-Y380 PolarHBondContact O-N 2.92Å |
| 377 | V | 93.3 | Very high | 90.1 | Very high | 62 Ų | 62 | 32.2 Ų | 32.2 | 38% | 0.376 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -69.8 | -40.9 | 178.3 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | W373 V374 F379 Y380 I381 F481 | W373-V377 WeakPolarHBondContact O-CG2 3.43Å; W373-V377 PolarHBondContact O-N 3.04Å; V374-V377 PolarHBondContact O-N 3.4Å; V377-F379 VanDerWaalsContact C-N 3.34Å; V377-F379 PolarHBondContact O-N 3.02Å; V377-Y380 PolarHBondContact O-N 2.99Å; V377-I381 HydrophobicContact CG1-CD1 3.89Å; V377-I381 HydrophobicContact CG1-CG1 4.31Å; V377-I381 VanDerWaalsContact O-CG1 3.31Å; V377-I381 WeakPolarHBondContact O-CG1 3.39Å; V377-I381 PolarHBondContact O-N 3.14Å; V377-F481 HydrophobicContact CB-CE2 3.81Å; V377-F481 HydrophobicContact CB-CZ 3.92Å; V377-F481 HydrophobicContact CG1-CD2 3.94Å; V377-F481 HydrophobicContact CG1-CE2 3.35Å; V377-F481 HydrophobicContact CG1-CZ 3.9Å |
| 378 | W | 94.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60 | -42 | 173.9 | -174.3 | -106.7 | 0 | 0 | 0 | 112.6 | V374 I381 G382 W398 F458 V471 A473 E478 F481 | V374-W378 VanDerWaalsContact O-CB 3.29Å; V374-W378 WeakPolarHBondContact O-CB 3.41Å; V374-W378 PolarHBondContact O-N 3.23Å; W378-I381 PolarHBondContact O-N 2.87Å; W378-G382 PolarHBondContact O-N 2.97Å; W378-G382 VanDerWaalsContact O-N 3.12Å; W378-W398 AromaticContact CD1-CD2 3.94Å; W378-W398 AromaticContact CD1-CE2 3.45Å; W378-W398 VanDerWaalsContact CD1-CE2 3.45Å; W378-W398 AromaticContact CD1-CH2 3.97Å; W378-W398 AromaticContact CD1-CZ2 3.5Å; W378-W398 AromaticContact CD1-NE1 3.73Å; W378-W398 AromaticContact CD2-NE1 3.95Å; W378-W398 AromaticContact CE2-CD1 3.5Å; W378-W398 AromaticContact CE2-CD2 3.78Å; W378-W398 AromaticContact CE2-CE2 3.83Å; W378-W398 AromaticContact CE2-CG 3.64Å; W378-W398 AromaticContact CE2-NE1 3.59Å; W378-W398 HydrophobicContact CG-CZ2 4.41Å; W378-W398 HydrophobicContact CH2-CG 4.43Å; W378-W398 HydrophobicContact CZ2-CB 3.74Å; W378-W398 AromaticContact CZ2-CD1 3.51Å; W378-W398 HydrophobicContact CZ2-CD2 4.1Å; W378-W398 AromaticContact CZ2-CG 3.5Å; W378-W398 HydrophobicContact CZ2-CG 3.5Å; W378-W398 AromaticContact NE1-CD1 3.68Å; W378-W398 AromaticContact NE1-CD2 3.18Å; W378-W398 AromaticContact NE1-CE2 3.18Å; W378-W398 AromaticContact NE1-CE3 3.62Å; W378-W398 AromaticContact NE1-CG 3.58Å; W378-W398 AromaticContact NE1-CZ2 3.67Å; W378-W398 AromaticContact NE1-NE1 3.43Å; W378-W398 PolarHBondContact O-NE1 3.04Å; W378-W398 VanDerWaalsContact O-NE1 3.16Å; W378-F458 HydrophobicContact CB-CD1 4.38Å; W378-F458 AromaticContact CD1-CD1 3.74Å; W378-F458 AromaticContact CD2-CD1 3.49Å; W378-F458 HydrophobicContact CD2-CD1 3.49Å; W378-F458 VanDerWaalsContact CD2-CD1 3.49Å; W378-F458 AromaticContact CD2-CE1 3.45Å; W378-F458 HydrophobicContact CD2-CE1 3.45Å; W378-F458 VanDerWaalsContact CD2-CE1 3.45Å; W378-F458 HydrophobicContact CD2-CG 4.34Å; W378-F458 HydrophobicContact CD2-CZ 4.28Å; W378-F458 AromaticContact CE2-CD1 3.49Å; W378-F458 VanDerWaalsContact CE2-CD1 3.49Å; W378-F458 AromaticContact CE2-CE1 3.64Å; W378-F458 AromaticContact CE2-CG 3.87Å; W378-F458 HydrophobicContact CE3-CD1 4.11Å; W378-F458 AromaticContact CE3-CE1 3.57Å; W378-F458 HydrophobicContact CE3-CE1 3.57Å; W378-F458 HydrophobicContact CE3-CZ 4.19Å; W378-F458 AromaticContact CG-CD1 3.63Å; W378-F458 HydrophobicContact CG-CD1 3.63Å; W378-F458 HydrophobicContact CG-CE1 4.02Å; W378-F458 AromaticContact CH2-CE1 3.98Å; W378-F458 HydrophobicContact CH2-CE1 3.98Å; W378-F458 HydrophobicContact CH2-CE2 4.29Å; W378-F458 AromaticContact CH2-CZ 3.81Å; W378-F458 HydrophobicContact CH2-CZ 3.81Å; W378-F458 HydrophobicContact CZ2-CD1 4.08Å; W378-F458 HydrophobicContact CZ2-CD2 4.27Å; W378-F458 AromaticContact CZ2-CE1 3.92Å; W378-F458 HydrophobicContact CZ2-CE1 3.92Å; W378-F458 HydrophobicContact CZ2-CE2 4.11Å; W378-F458 HydrophobicContact CZ2-CG 4.25Å; W378-F458 AromaticContact CZ2-CZ 3.94Å; W378-F458 HydrophobicContact CZ2-CZ 3.94Å; W378-F458 AromaticContact CZ3-CE1 3.82Å; W378-F458 HydrophobicContact CZ3-CE1 3.82Å; W378-F458 AromaticContact CZ3-CZ 3.96Å; W378-F458 HydrophobicContact CZ3-CZ 3.96Å; W378-F458 AromaticContact NE1-CD1 3.63Å; W378-F458 AromaticContact NE1-CG 3.8Å; W378-V471 HydrophobicContact CZ2-CG1 4.26Å; W378-A473 HydrophobicContact CH2-CB 3.97Å; W378-E478 HydrophobicContact CH2-CB 3.72Å; W378-E478 HydrophobicContact CH2-CG 3.8Å; W378-E478 HydrophobicContact CZ3-CB 3.77Å; W378-E478 HydrophobicContact CZ3-CG 3.91Å; W378-F481 HydrophobicContact CB-CE1 4.09Å; W378-F481 AromaticContact CE3-CD1 3.5Å; W378-F481 HydrophobicContact CE3-CD1 3.5Å; W378-F481 VanDerWaalsContact CE3-CD1 3.5Å; W378-F481 AromaticContact CE3-CE1 3.84Å; W378-F481 HydrophobicContact CE3-CE1 3.84Å; W378-F481 AromaticContact CZ3-CD1 3.99Å; W378-F481 HydrophobicContact CZ3-CD1 3.99Å |
| 379 | F | 92.4 | Very high | 87.7 | Confident | 10 Ų | 10 | 34.6 Ų | 34.6 | 4% | 0.044 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61 | -46.3 | 172.1 | -177.5 | -95.4 | 0 | 0 | 0 | 112.1 | C247 A251 A375 C376 V377 G382 Q383 L448 A451 | C247-F379 HydrophobicContact CB-CD1 4.28Å; C247-F379 WeakPolarHBondContact O-CE1 3.42Å; A251-F379 HydrophobicContact CB-CE1 4.35Å; A251-F379 HydrophobicContact CB-CZ 4.39Å; A375-F379 VanDerWaalsContact O-CB 3.32Å; A375-F379 WeakPolarHBondContact O-CB 3.39Å; A375-F379 PolarHBondContact O-N 3.16Å; C376-F379 PolarHBondContact O-N 2.88Å; V377-F379 VanDerWaalsContact C-N 3.34Å; V377-F379 PolarHBondContact O-N 3.02Å; F379-G382 PolarHBondContact O-N 3.48Å; F379-Q383 WeakPolarHBondContact O-CB 3.27Å; F379-Q383 PolarHBondContact O-N 2.9Å; F379-L448 HydrophobicContact CE1-CD1 4.3Å; F379-L448 HydrophobicContact CE2-CD1 4.19Å; F379-L448 HydrophobicContact CZ-CD1 3.61Å; F379-A451 HydrophobicContact CD2-CB 4.24Å; F379-A451 HydrophobicContact CE2-CB 3.78Å |
| 380 | Y | 89.1 | Confident | 85.9 | Confident | 81 Ų | 81 | 41.9 Ų | 41.9 | 32% | 0.318 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.1 | -37.3 | 178.8 | 179.8 | -102.4 | 0 | 0 | 0 | 113.4 | T250 C376 V377 R384 | T250-Y380 HydrophobicContact CG2-CE2 4.26Å; C376-Y380 WeakPolarHBondContact O-CB 3.37Å; C376-Y380 PolarHBondContact O-N 2.92Å; V377-Y380 PolarHBondContact O-N 2.99Å; Y380-R384 HydrophobicContact CD1-CG 4.28Å; Y380-R384 HydrophobicContact CD2-CG 4.39Å; Y380-R384 HydrophobicContact CE1-CG 3.89Å; Y380-R384 HydrophobicContact CE2-CG 4.01Å; Y380-R384 WeakPolarHBondContact O-CB 3.42Å; Y380-R384 VanDerWaalsContact O-CG 3.29Å; Y380-R384 WeakPolarHBondContact O-CG 3.39Å; Y380-R384 PolarHBondContact O-N 3.19Å; Y380-R384 PolarHBondContact OH-NE 2.91Å; Y380-R384 PolarHBondContact OH-NH2 3.14Å |
| 381 | I | 89.9 | Confident | 84 | Confident | 28 Ų | 28 | 45.6 Ų | 45.6 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.1 | -53.4 | 174.2 | -70.9 | 166.8 | 0 | 0 | 0 | 109.9 | V377 W378 Q383 R384 E385 E478 F481 | V377-I381 HydrophobicContact CG1-CD1 3.89Å; V377-I381 HydrophobicContact CG1-CG1 4.31Å; V377-I381 VanDerWaalsContact O-CG1 3.31Å; V377-I381 WeakPolarHBondContact O-CG1 3.39Å; V377-I381 PolarHBondContact O-N 3.14Å; W378-I381 PolarHBondContact O-N 2.87Å; I381-Q383 VanDerWaalsContact C-N 3.28Å; I381-Q383 PolarHBondContact O-N 2.95Å; I381-R384 PolarHBondContact O-N 3.42Å; I381-E385 WeakPolarHBondContact CG2-OE1 3.39Å; I381-E385 PolarHBondContact O-N 3.44Å; I381-E478 HydrophobicContact CG2-CG 4.25Å; I381-F481 HydrophobicContact CD1-CB 3.87Å; I381-F481 HydrophobicContact CD1-CD1 4.21Å; I381-F481 HydrophobicContact CD1-CD2 3.78Å; I381-F481 HydrophobicContact CD1-CE2 4.4Å; I381-F481 HydrophobicContact CD1-CG 3.67Å |
| 382 | G | 88 | Confident | 82.2 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -34.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | W378 F379 I386 | W378-G382 PolarHBondContact O-N 2.97Å; W378-G382 VanDerWaalsContact O-N 3.12Å; F379-G382 PolarHBondContact O-N 3.48Å; G382-I386 WeakPolarHBondContact O-CG1 3.47Å |
| 383 | Q | 83.1 | Confident | 80.4 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 171.3 | -173.9 | -175.8 | -8.2 | 0 | 0 | 111.8 | C247 T250 A251 F379 I381 E385 I386 E387 | C247-Q383 PolarHBondContact O-OE1 3.49Å; T250-Q383 PolarHBondContact O-NE2 3.35Å; T250-Q383 VanDerWaalsContact O-NE2 3.1Å; T250-Q383 PolarHBondContact OG1-OE1 3.17Å; A251-Q383 VanDerWaalsContact N-NE2 3.17Å; F379-Q383 WeakPolarHBondContact O-CB 3.27Å; F379-Q383 PolarHBondContact O-N 2.9Å; I381-Q383 VanDerWaalsContact C-N 3.28Å; I381-Q383 PolarHBondContact O-N 2.95Å; Q383-E385 PolarHBondContact O-N 2.77Å; Q383-I386 PolarHBondContact O-N 2.81Å; Q383-E387 PolarHBondContact NE2-OE1 2.65Å; Q383-E387 PolarHBondContact O-N 3.2Å |
| 384 | R | 81.9 | Confident | 78.5 | Confident | 71 Ų | 71 | 53.1 Ų | 53.1 | 27% | 0.268 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.7 | -36.8 | -176.2 | -81.9 | -67.1 | -173.5 | -154.8 | -10.6 | 113.7 | Y380 I381 I386 E387 S388 | Y380-R384 HydrophobicContact CD1-CG 4.28Å; Y380-R384 HydrophobicContact CD2-CG 4.39Å; Y380-R384 HydrophobicContact CE1-CG 3.89Å; Y380-R384 HydrophobicContact CE2-CG 4.01Å; Y380-R384 WeakPolarHBondContact O-CB 3.42Å; Y380-R384 VanDerWaalsContact O-CG 3.29Å; Y380-R384 WeakPolarHBondContact O-CG 3.39Å; Y380-R384 PolarHBondContact O-N 3.19Å; Y380-R384 PolarHBondContact OH-NE 2.91Å; Y380-R384 PolarHBondContact OH-NH2 3.14Å; I381-R384 PolarHBondContact O-N 3.42Å; R384-I386 VanDerWaalsContact C-N 3.29Å; R384-I386 PolarHBondContact O-N 3.34Å; R384-E387 IonicContact CZ-OE2 2.79Å; R384-E387 IonicContact NE-OE2 3.18Å; R384-E387 IonicContact NH1-OE2 3.2Å; R384-E387 PolarHBondContact NH1-OE2 2.81Å; R384-E387 PolarHBondContact O-N 3.4Å; R384-S388 WeakPolarHBondContact O-CB 3.44Å; R384-S388 PolarHBondContact O-N 3.37Å; R384-S388 PolarHBondContact O-OG 3.44Å; R384-S388 VanDerWaalsContact O-OG 3.12Å |
| 385 | E | 82.9 | Confident | 76.9 | Confident | 31 Ų | 31 | 60.6 Ų | 60.6 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.2 | -30.1 | 178.6 | -70.2 | 176.8 | -156.6 | 0 | 0 | 112 | I381 Q383 S388 S389 T475 T477 | I381-E385 WeakPolarHBondContact CG2-OE1 3.39Å; I381-E385 PolarHBondContact O-N 3.44Å; Q383-E385 PolarHBondContact O-N 2.77Å; E385-S388 PolarHBondContact O-OG 3.26Å; E385-S389 PolarHBondContact O-OG 2.83Å; E385-T475 PolarHBondContact OE1-OG1 3.27Å; E385-T475 WeakPolarHBondContact OE2-CB 3.32Å; E385-T475 WeakPolarHBondContact OE2-CG2 3.41Å; E385-T475 PolarHBondContact OE2-OG1 3.03Å; E385-T477 WeakPolarHBondContact OE1-CB 3.33Å; E385-T477 PolarHBondContact OE1-OG1 3.06Å |
| 386 | I | 77.2 | Confident | 75.9 | Confident | 32 Ų | 32 | 65.7 Ų | 65.7 | 16% | 0.164 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.5 | -44.8 | 169.1 | -68.7 | 175.2 | 0 | 0 | 0 | 110.8 | G382 Q383 R384 S388 L399 Y410 L442 | G382-I386 WeakPolarHBondContact O-CG1 3.47Å; Q383-I386 PolarHBondContact O-N 2.81Å; R384-I386 VanDerWaalsContact C-N 3.29Å; R384-I386 PolarHBondContact O-N 3.34Å; I386-S388 PolarHBondContact O-N 2.66Å; I386-L399 HydrophobicContact CD1-CB 4.24Å; I386-L399 HydrophobicContact CD1-CD2 3.93Å; I386-L399 HydrophobicContact CD1-CG 4.08Å; I386-Y410 HydrophobicContact CD1-CE2 4.01Å; I386-L442 HydrophobicContact CG2-CD2 3.29Å |
| 387 | E | 74 | Confident | 75.5 | Confident | 74 Ų | 74 | 66 Ų | 66 | 35% | 0.346 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65 | -33.8 | 178.6 | -75.5 | 176.2 | -170.8 | 0 | 0 | 113.8 | Q383 R384 S389 | Q383-E387 PolarHBondContact NE2-OE1 2.65Å; Q383-E387 PolarHBondContact O-N 3.2Å; R384-E387 IonicContact CZ-OE2 2.79Å; R384-E387 IonicContact NE-OE2 3.18Å; R384-E387 IonicContact NH1-OE2 3.2Å; R384-E387 PolarHBondContact NH1-OE2 2.81Å; R384-E387 PolarHBondContact O-N 3.4Å; E387-S389 VanDerWaalsContact C-N 3.28Å; E387-S389 PolarHBondContact O-N 3.39Å |
| 388 | S | 70.8 | Confident | 75.4 | Confident | 90 Ų | 90 | 63.3 Ų | 63.3 | 63% | 0.629 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -9.7 | -176.2 | 57 | 0 | 0 | 0 | 0 | 114.7 | R384 E385 I386 E390 | R384-S388 WeakPolarHBondContact O-CB 3.44Å; R384-S388 PolarHBondContact O-N 3.37Å; R384-S388 PolarHBondContact O-OG 3.44Å; R384-S388 VanDerWaalsContact O-OG 3.12Å; E385-S388 PolarHBondContact O-OG 3.26Å; I386-S388 PolarHBondContact O-N 2.66Å; S388-E390 PolarHBondContact O-N 2.97Å |
| 389 | S | 65.4 | Low | 75.1 | Confident | 41 Ų | 41 | 63.5 Ų | 63.5 | 29% | 0.287 | 33% | 0.33 | S | S | . | . | trans | -103.2 | 57.8 | -168.8 | -58.4 | 0 | 0 | 0 | 0 | 112 | E385 E387 S391 E392 | E385-S389 PolarHBondContact O-OG 2.83Å; E387-S389 VanDerWaalsContact C-N 3.28Å; E387-S389 PolarHBondContact O-N 3.39Å; S389-S391 PolarHBondContact O-N 3.47Å; S389-E392 WeakPolarHBondContact CB-O 3.46Å | ||
| 390 | E | 55.5 | Low | 74.7 | Confident | 178 Ų | 178 | 64.8 Ų | 64.8 | 83% | 0.832 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -66.9 | 14.1 | -173 | -62.5 | -168.7 | 127.6 | 0 | 0 | 116 | S388 | S388-E390 PolarHBondContact O-N 2.97Š|
| 391 | S | 54.5 | Low | 74.6 | Confident | 112 Ų | 112 | 62.8 Ų | 62.8 | 78% | 0.783 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -146.2 | -28 | -177.6 | -65.9 | 0 | 0 | 0 | 0 | 115.8 | S389 | S389-S391 PolarHBondContact O-N 3.47Š|
| 392 | E | 56.9 | Low | 74.6 | Confident | 167 Ų | 167 | 62.3 Ų | 62.3 | 78% | 0.78 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -137.1 | 138.6 | 171.5 | -66.4 | -171.4 | 151.9 | 0 | 0 | 109.1 | S389 P394 | S389-E392 WeakPolarHBondContact CB-O 3.46Å; E392-P394 WeakPolarHBondContact O-CD 3.23Å |
| 393 | L | 58.6 | Low | 74.5 | Confident | 60 Ų | 60 | 62.1 Ų | 62.1 | 31% | 0.314 | 33% | 0.326 | S | S | . | . | trans | -69.1 | 124 | 175.6 | -79.7 | 164.3 | 0 | 0 | 0 | 109.4 | E395 L412 L442 | L393-E395 PolarHBondContact O-N 2.98Å; L393-L412 HydrophobicContact CD1-CD1 3.98Å; L393-L412 HydrophobicContact CD1-CG 4.21Å; L393-L412 HydrophobicContact CD2-CD1 4.14Å; L393-L412 HydrophobicContact CD2-CG 4.23Å; L393-L412 HydrophobicContact CG-CD1 3.66Å; L393-L412 HydrophobicContact CG-CG 4.17Å; L393-L442 HydrophobicContact CD2-CD1 3.94Å | ||
| 394 | P | 56.8 | Low | 74.6 | Confident | 41 Ų | 41 | 68.5 Ų | 68.5 | 27% | 0.266 | 35% | 0.348 | S | S | . | . | trans | -73 | 95.7 | 176.3 | 29.5 | -32.9 | 0 | 0 | 0 | 109.1 | E392 I396 | E392-P394 WeakPolarHBondContact O-CD 3.23Å; P394-I396 PolarHBondContact O-N 2.83Å | ||
| 395 | E | 61.8 | Low | 74.8 | Confident | 167 Ų | 167 | 70.7 Ų | 70.7 | 78% | 0.78 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -12.3 | -174.8 | -58.3 | -166.6 | 136.3 | 0 | 0 | 114.6 | L393 | L393-E395 PolarHBondContact O-N 2.98Š|
| 396 | I | 74.6 | Confident | 75 | Confident | 107 Ų | 107 | 72.7 Ų | 72.7 | 55% | 0.549 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -25.5 | -160.3 | -61.7 | 172.4 | 0 | 0 | 0 | 113 | P394 N474 | P394-I396 PolarHBondContact O-N 2.83Å; I396-N474 HydrophobicContact CG2-CB 3.62Å; I396-N474 WeakPolarHBondContact O-CB 3.39Å; I396-N474 PolarHBondContact O-ND2 3.01Å |
| 397 | G | 85.2 | Confident | 75.4 | Confident | 10 Ų | 10 | 79.8 Ų | 79.8 | 10% | 0.103 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -65.9 | 150.6 | -171 | 0 | 0 | 0 | 0 | 0 | 114.9 | L399 Q400 E401 | G397-L399 PolarHBondContact O-N 2.98Å; G397-L399 VanDerWaalsContact O-N 3.13Å; G397-Q400 WeakPolarHBondContact O-CB 3.38Å; G397-Q400 PolarHBondContact O-N 3.48Å; G397-E401 PolarHBondContact O-N 3.17Å |
| 398 | W | 90.1 | Very high | 76 | Confident | 4 Ų | 4 | 79.1 Ų | 79.1 | 2% | 0.015 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.3 | -33.9 | -171.5 | 83.3 | -97.9 | 0 | 0 | 0 | 113.5 | W378 L402 T454 V471 E478 | W378-W398 AromaticContact CD1-CD2 3.94Å; W378-W398 AromaticContact CD1-CE2 3.45Å; W378-W398 VanDerWaalsContact CD1-CE2 3.45Å; W378-W398 AromaticContact CD1-CH2 3.97Å; W378-W398 AromaticContact CD1-CZ2 3.5Å; W378-W398 AromaticContact CD1-NE1 3.73Å; W378-W398 AromaticContact CD2-NE1 3.95Å; W378-W398 AromaticContact CE2-CD1 3.5Å; W378-W398 AromaticContact CE2-CD2 3.78Å; W378-W398 AromaticContact CE2-CE2 3.83Å; W378-W398 AromaticContact CE2-CG 3.64Å; W378-W398 AromaticContact CE2-NE1 3.59Å; W378-W398 HydrophobicContact CG-CZ2 4.41Å; W378-W398 HydrophobicContact CH2-CG 4.43Å; W378-W398 HydrophobicContact CZ2-CB 3.74Å; W378-W398 AromaticContact CZ2-CD1 3.51Å; W378-W398 HydrophobicContact CZ2-CD2 4.1Å; W378-W398 AromaticContact CZ2-CG 3.5Å; W378-W398 HydrophobicContact CZ2-CG 3.5Å; W378-W398 AromaticContact NE1-CD1 3.68Å; W378-W398 AromaticContact NE1-CD2 3.18Å; W378-W398 AromaticContact NE1-CE2 3.18Å; W378-W398 AromaticContact NE1-CE3 3.62Å; W378-W398 AromaticContact NE1-CG 3.58Å; W378-W398 AromaticContact NE1-CZ2 3.67Å; W378-W398 AromaticContact NE1-NE1 3.43Å; W378-W398 PolarHBondContact O-NE1 3.04Å; W378-W398 VanDerWaalsContact O-NE1 3.16Å; W398-L402 HydrophobicContact CZ3-CD2 3.95Å; W398-L402 WeakPolarHBondContact O-CB 3.49Å; W398-L402 PolarHBondContact O-N 3Å; W398-T454 HydrophobicContact CZ3-CG2 3.96Å; W398-V471 HydrophobicContact CB-CG1 4.44Å; W398-V471 HydrophobicContact CD2-CG1 4.44Å; W398-V471 HydrophobicContact CE3-CG1 3.88Å; W398-E478 PolarHBondContact N-OE1 3.06Å |
| 399 | L | 88.3 | Confident | 76.5 | Confident | 5 Ų | 5 | 78.2 Ų | 78.2 | 3% | 0.026 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -77.6 | -28.9 | -178.7 | -174 | 54.3 | 0 | 0 | 0 | 112.2 | I386 G397 L402 A403 Y410 P446 A451 | I386-L399 HydrophobicContact CD1-CB 4.24Å; I386-L399 HydrophobicContact CD1-CD2 3.93Å; I386-L399 HydrophobicContact CD1-CG 4.08Å; G397-L399 PolarHBondContact O-N 2.98Å; G397-L399 VanDerWaalsContact O-N 3.13Å; L399-L402 HydrophobicContact CD1-CD2 4.2Å; L399-A403 WeakPolarHBondContact O-CB 3.37Å; L399-A403 PolarHBondContact O-N 3.47Å; L399-Y410 HydrophobicContact CG-CE2 4.48Å; L399-P446 HydrophobicContact CD1-CG 3.88Å; L399-A451 HydrophobicContact CD1-CB 3.84Å |
| 400 | Q | 85.2 | Confident | 77.2 | Confident | 36 Ų | 36 | 78.4 Ų | 78.4 | 17% | 0.168 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -72.1 | -42.7 | 171.2 | -174 | 70.8 | -5.5 | 0 | 0 | 110.6 | G397 L402 A403 R404 | G397-Q400 WeakPolarHBondContact O-CB 3.38Å; G397-Q400 PolarHBondContact O-N 3.48Å; Q400-L402 VanDerWaalsContact C-N 3.32Å; Q400-L402 PolarHBondContact O-N 3.5Å; Q400-A403 VanDerWaalsContact O-CB 3.32Å; Q400-A403 WeakPolarHBondContact O-CB 3.34Å; Q400-A403 PolarHBondContact O-N 3.44Å; Q400-R404 PolarHBondContact O-N 3.26Å |
| 401 | E | 86.5 | Confident | 78.2 | Confident | 39 Ų | 39 | 76 Ų | 76 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.7 | -37.2 | 173.2 | 171.3 | 60.5 | -179 | 0 | 0 | 111.8 | G397 R404 R405 | G397-E401 PolarHBondContact O-N 3.17Å; E401-R404 PolarHBondContact O-N 3.39Å; E401-R404 IonicContact OE1-CZ 3.9Å; E401-R404 IonicContact OE1-NH2 3.49Å; E401-R404 PolarHBondContact OE1-NH2 3.03Å; E401-R404 IonicContact OE2-CZ 2.83Å; E401-R404 IonicContact OE2-NE 2.77Å; E401-R404 PolarHBondContact OE2-NE 3.41Å; E401-R404 IonicContact OE2-NH2 2.84Å; E401-R404 PolarHBondContact OE2-NH2 2.98Å; E401-R405 WeakPolarHBondContact O-CG 3.46Å; E401-R405 PolarHBondContact O-N 2.91Å; E401-R405 IonicContact OE1-CZ 3.17Å; E401-R405 IonicContact OE1-NE 2.72Å; E401-R405 PolarHBondContact OE1-NE 3.4Å; E401-R405 IonicContact OE1-NH2 2.75Å; E401-R405 PolarHBondContact OE1-NH2 3.06Å |
| 402 | L | 89.1 | Confident | 79 | Confident | 18 Ų | 18 | 74 Ų | 74 | 9% | 0.094 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 170.6 | 179.6 | 63 | 0 | 0 | 0 | 112.1 | W398 L399 Q400 R404 R405 L406 P446 A451 T454 | W398-L402 HydrophobicContact CZ3-CD2 3.95Å; W398-L402 WeakPolarHBondContact O-CB 3.49Å; W398-L402 PolarHBondContact O-N 3Å; L399-L402 HydrophobicContact CD1-CD2 4.2Å; Q400-L402 VanDerWaalsContact C-N 3.32Å; Q400-L402 PolarHBondContact O-N 3.5Å; L402-R404 VanDerWaalsContact C-N 3.26Å; L402-R404 PolarHBondContact O-N 2.67Å; L402-R405 PolarHBondContact O-N 3.13Å; L402-L406 HydrophobicContact CD1-CD1 3.6Å; L402-L406 HydrophobicContact CD1-CG 3.95Å; L402-L406 HydrophobicContact CD2-CD1 4.39Å; L402-L406 HydrophobicContact CG-CD1 3.81Å; L402-L406 HydrophobicContact CG-CG 4.44Å; L402-L406 WeakPolarHBondContact O-CB 3.44Å; L402-L406 WeakPolarHBondContact O-CG 3.13Å; L402-L406 PolarHBondContact O-N 2.87Å; L402-P446 HydrophobicContact CD2-CG 4.28Å; L402-P446 HydrophobicContact CG-CG 4.42Å; L402-A451 HydrophobicContact CD2-CB 4.38Å; L402-T454 HydrophobicContact CD1-CG2 3.97Å; L402-T454 HydrophobicContact CD2-CG2 3.86Å; L402-T454 HydrophobicContact CG-CG2 4.47Å |
| 403 | A | 87.1 | Confident | 79.4 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.2 | -43.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L399 Q400 L406 E407 T408 Y410 P446 | L399-A403 WeakPolarHBondContact O-CB 3.37Å; L399-A403 PolarHBondContact O-N 3.47Å; Q400-A403 VanDerWaalsContact O-CB 3.32Å; Q400-A403 WeakPolarHBondContact O-CB 3.34Å; Q400-A403 PolarHBondContact O-N 3.44Å; A403-L406 PolarHBondContact O-N 2.95Å; A403-E407 PolarHBondContact O-N 2.92Å; A403-T408 WeakPolarHBondContact CB-O 3.4Å; A403-T408 CarbonylContact O-C 3.41Å; A403-T408 PolarHBondContact O-N 3.04Å; A403-Y410 HydrophobicContact CB-CD2 3.75Å; A403-Y410 HydrophobicContact CB-CE2 3.81Å; A403-P446 HydrophobicContact CB-CG 4.37Å |
| 404 | R | 85 | Confident | 79.4 | Confident | 155 Ų | 155 | 68.6 Ų | 68.6 | 59% | 0.585 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.1 | -45 | 175.9 | -167.6 | -170.9 | 67.1 | 77.4 | 1.1 | 112.4 | Q400 E401 L402 L406 E407 | Q400-R404 PolarHBondContact O-N 3.26Å; E401-R404 PolarHBondContact O-N 3.39Å; E401-R404 IonicContact OE1-CZ 3.9Å; E401-R404 IonicContact OE1-NH2 3.49Å; E401-R404 PolarHBondContact OE1-NH2 3.03Å; E401-R404 IonicContact OE2-CZ 2.83Å; E401-R404 IonicContact OE2-NE 2.77Å; E401-R404 PolarHBondContact OE2-NE 3.41Å; E401-R404 IonicContact OE2-NH2 2.84Å; E401-R404 PolarHBondContact OE2-NH2 2.98Å; L402-R404 VanDerWaalsContact C-N 3.26Å; L402-R404 PolarHBondContact O-N 2.67Å; R404-L406 VanDerWaalsContact C-N 3.26Å; R404-L406 PolarHBondContact O-N 3.3Å; R404-E407 PolarHBondContact O-N 3.02Å |
| 405 | R | 86.4 | Confident | 79 | Confident | 117 Ų | 117 | 75.8 Ų | 75.8 | 44% | 0.442 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68 | -21.6 | 177.6 | -72.8 | -178.3 | -169.4 | -147.3 | 3.9 | 114.2 | E401 L402 N470 | E401-R405 WeakPolarHBondContact O-CG 3.46Å; E401-R405 PolarHBondContact O-N 2.91Å; E401-R405 IonicContact OE1-CZ 3.17Å; E401-R405 IonicContact OE1-NE 2.72Å; E401-R405 PolarHBondContact OE1-NE 3.4Å; E401-R405 IonicContact OE1-NH2 2.75Å; E401-R405 PolarHBondContact OE1-NH2 3.06Å; L402-R405 PolarHBondContact O-N 3.13Å; R405-N470 PolarHBondContact NH1-O 2.89Å |
| 406 | L | 87.1 | Confident | 78.3 | Confident | 74 Ų | 74 | 78.8 Ų | 78.8 | 39% | 0.387 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 16.5 | 178.4 | -66.3 | 176.2 | 0 | 0 | 0 | 113.1 | L402 A403 R404 T408 P446 S450 | L402-L406 HydrophobicContact CD1-CD1 3.6Å; L402-L406 HydrophobicContact CD1-CG 3.95Å; L402-L406 HydrophobicContact CD2-CD1 4.39Å; L402-L406 HydrophobicContact CG-CD1 3.81Å; L402-L406 HydrophobicContact CG-CG 4.44Å; L402-L406 WeakPolarHBondContact O-CB 3.44Å; L402-L406 WeakPolarHBondContact O-CG 3.13Å; L402-L406 PolarHBondContact O-N 2.87Å; A403-L406 PolarHBondContact O-N 2.95Å; R404-L406 VanDerWaalsContact C-N 3.26Å; R404-L406 PolarHBondContact O-N 3.3Å; L406-T408 WeakPolarHBondContact CB-OG1 3.3Å; L406-T408 PolarHBondContact O-N 3.02Å; L406-T408 PolarHBondContact O-OG1 3.09Å; L406-P446 HydrophobicContact CD1-CB 3.9Å; L406-S450 WeakPolarHBondContact CD1-OG 3.48Å |
| 407 | E | 85.4 | Confident | 77 | Confident | 180 Ų | 180 | 79.6 Ų | 79.6 | 84% | 0.841 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 25.7 | 179.5 | -58 | -175.6 | 165.6 | 0 | 0 | 113.8 | A403 R404 P409 | A403-E407 PolarHBondContact O-N 2.92Å; R404-E407 PolarHBondContact O-N 3.02Å; E407-P409 WeakPolarHBondContact O-CD 3.27Å |
| 408 | T | 85.6 | Confident | 75.1 | Confident | 60 Ų | 60 | 84.1 Ų | 84.1 | 37% | 0.368 | 42% | 0.418 | S | S | . | . | trans | -127.2 | 58.3 | -175 | 36.1 | 0 | 0 | 0 | 0 | 110.4 | A403 L406 G445 | A403-T408 WeakPolarHBondContact CB-O 3.4Å; A403-T408 CarbonylContact O-C 3.41Å; A403-T408 PolarHBondContact O-N 3.04Å; L406-T408 WeakPolarHBondContact CB-OG1 3.3Å; L406-T408 PolarHBondContact O-N 3.02Å; L406-T408 PolarHBondContact O-OG1 3.09Å; T408-G445 CarbonylContact O-C 3.3Å; T408-G445 VanDerWaalsContact O-C 3.3Å; T408-G445 WeakPolarHBondContact O-CA 3.21Å; T408-G445 PolarHBondContact O-N 2.71Å | ||
| 409 | P | 81.8 | Confident | 73.1 | Confident | 72 Ų | 72 | 87.8 Ų | 87.8 | 47% | 0.468 | 46% | 0.457 | S | S | . | . | trans | -62.8 | 157.8 | -177.7 | 29.1 | -36.6 | 0 | 0 | 0 | 112.2 | E407 G445 | E407-P409 WeakPolarHBondContact O-CD 3.27Å; P409-G445 PolarHBondContact O-N 2.9Å | ||
| 410 | Y | 79.8 | Confident | 70.7 | Confident | 44 Ų | 44 | 91 Ų | 91 | 17% | 0.173 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 146.3 | 167.6 | -66.6 | -94.2 | 0 | 0 | 0 | 110.7 | I386 L399 A403 L442 L443 | I386-Y410 HydrophobicContact CD1-CE2 4.01Å; L399-Y410 HydrophobicContact CG-CE2 4.48Å; A403-Y410 HydrophobicContact CB-CD2 3.75Å; A403-Y410 HydrophobicContact CB-CE2 3.81Å; Y410-L442 HydrophobicContact CD1-CD1 4.37Å; Y410-L442 HydrophobicContact CD1-CD2 3.86Å; Y410-L442 HydrophobicContact CD1-CG 4.02Å; Y410-L442 HydrophobicContact CE1-CD2 4.25Å; Y410-L443 CarbonylContact C-O 3.19Å; Y410-L443 WeakPolarHBondContact CA-O 3.37Å |
| 411 | Y | 75.6 | Confident | 68.8 | Low | 128 Ų | 128 | 96.9 Ų | 96.9 | 50% | 0.502 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 134.8 | 177.6 | 48.6 | -87.9 | 0 | 0 | 0 | 110.8 | V413 L443 G444 | Y411-V413 HydrophobicContact CD2-CG2 3.88Å; Y411-V413 HydrophobicContact CE2-CG2 4.27Å; Y411-L443 WeakPolarHBondContact CD1-O 3.35Å; Y411-L443 HydrophobicContact CD2-CB 3.81Å; Y411-L443 HydrophobicContact CE2-CB 3.3Å; Y411-L443 HydrophobicContact CE2-CD1 4.38Å; Y411-L443 HydrophobicContact CE2-CG 4.47Å; Y411-L443 PolarHBondContact N-O 3.41Å; Y411-L443 PolarHBondContact O-N 3.16Å; Y411-G444 VanDerWaalsContact CE1-CA 3.4Å |
| 412 | L | 71.4 | Confident | 66.6 | Low | 70 Ų | 70 | 100.3 Ų | 100.3 | 37% | 0.366 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 124.4 | 178 | -72.5 | 166.7 | 0 | 0 | 0 | 110.2 | L393 L440 L442 | L393-L412 HydrophobicContact CD1-CD1 3.98Å; L393-L412 HydrophobicContact CD1-CG 4.21Å; L393-L412 HydrophobicContact CD2-CD1 4.14Å; L393-L412 HydrophobicContact CD2-CG 4.23Å; L393-L412 HydrophobicContact CG-CD1 3.66Å; L393-L412 HydrophobicContact CG-CG 4.17Å; L412-L440 HydrophobicContact CB-CD2 4.23Å; L412-L440 HydrophobicContact CB-CG 4.46Å; L412-L440 HydrophobicContact CD1-CD2 4.06Å; L412-L440 HydrophobicContact CD2-CB 4.24Å; L412-L440 HydrophobicContact CD2-CD2 4.25Å; L412-L440 HydrophobicContact CG-CD2 4.42Å; L412-L442 HydrophobicContact CD2-CB 4.21Å; L412-L442 HydrophobicContact CD2-CD1 3.57Å; L412-L442 HydrophobicContact CG-CD1 4.02Å |
| 413 | V | 67.2 | Low | 64.4 | Low | 66 Ų | 66 | 105.3 Ų | 105.3 | 40% | 0.4 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.1 | 112.1 | 176.3 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | Y411 R415 E441 L443 | Y411-V413 HydrophobicContact CD2-CG2 3.88Å; Y411-V413 HydrophobicContact CE2-CG2 4.27Å; V413-R415 PolarHBondContact O-N 3.5Å; V413-E441 PolarHBondContact N-O 2.73Å; V413-E441 PolarHBondContact O-N 2.78Å; V413-L443 HydrophobicContact CB-CD1 4.21Å; V413-L443 HydrophobicContact CG2-CD1 3.83Å |
| 414 | G | 57.9 | Low | 62 | Low | 48 Ų | 48 | 109.3 Ų | 109.3 | 50% | 0.495 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.3 | 115.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R416 | G414-R416 PolarHBondContact O-N 3.18Å |
| 415 | R | 48.6 | Very low | 59.7 | Low | 192 Ų | 192 | 110.6 Ų | 110.6 | 73% | 0.725 | 64% | 0.643 | S | S | * | * | trans | -70.3 | 92.1 | -175.7 | -170 | 178.5 | -171.1 | 164.6 | 5.7 | 112.6 | V413 G439 | V413-R415 PolarHBondContact O-N 3.5Å; R415-G439 WeakPolarHBondContact CB-O 3.39Å; R415-G439 PolarHBondContact N-O 3.12Å | ||
| 416 | R | 46.3 | Very low | 57.5 | Low | 229 Ų | 229 | 109.5 Ų | 109.5 | 86% | 0.864 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -68 | 135 | 164.5 | -79.4 | -176 | 173.2 | 154.6 | 0.3 | 110.1 | G414 | G414-R416 PolarHBondContact O-N 3.18Š|
| 417 | P | 48.6 | Very low | 54.9 | Low | 125 Ų | 125 | 112.9 Ų | 112.9 | 81% | 0.812 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 135.6 | 170.5 | 27.6 | -33.4 | 0 | 0 | 0 | 109.9 | G419 | P417-G419 PolarHBondContact O-N 2.88Š|
| 418 | A | 43.4 | Very low | 52.6 | Low | 105 Ų | 105 | 111.1 Ų | 111.1 | 87% | 0.868 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 119.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 419 | G | 49.4 | Very low | 50 | Low | 81 Ų | 81 | 114.3 Ų | 114.3 | 84% | 0.835 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 127.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P417 | P417-G419 PolarHBondContact O-N 2.88Š|
| 420 | G | 38.4 | Very low | 47.7 | Very low | 72 Ų | 72 | 116.8 Ų | 116.8 | 74% | 0.742 | 71% | 0.71 | S | S | * | * | trans | -139.9 | 129.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 421 | N | 43.3 | Very low | 45.8 | Very low | 160 Ų | 160 | 120.6 Ų | 120.6 | 86% | 0.856 | 74% | 0.743 | S | S | * | * | trans | -87.5 | 139.6 | -165.7 | -59.8 | -25.1 | 0 | 0 | 0 | 113.1 | ||||
| 422 | S | 40.7 | Very low | 43.7 | Very low | 111 Ų | 111 | 119.3 Ų | 119.3 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | 178.1 | 138 | 114.8 | 38.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 423 | S | 43.3 | Very low | 42.1 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | 13.2 | 119 | 155.6 | 55.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 424 | G | 37.9 | Very low | 40.5 | Very low | 84 Ų | 84 | 127.3 Ų | 127.3 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | -169.5 | 128 | 160.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 425 | Q | 35.4 | Very low | 39.4 | Very low | 182 Ų | 182 | 129.6 Ų | 129.6 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | -81.9 | 139.6 | -174.2 | -165 | 89 | 6.9 | 0 | 0 | 112.1 | ||||
| 426 | S | 40.8 | Very low | 39 | Very low | 93 Ų | 93 | 128 Ų | 128 | 65% | 0.65 | 82% | 0.819 | S | S | * | * | trans | 28.5 | 127.8 | 155.5 | 62 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 427 | D | 32.5 | Very low | 38.7 | Very low | 146 Ų | 146 | 120.6 Ų | 120.6 | 78% | 0.781 | 81% | 0.814 | S | S | * | * | -163.2 | -174.6 | 104.5 | -117.6 | -33.9 | 0 | 0 | 0 | 114.4 | |||||
| 428 | N | 36 | Very low | 38.5 | Very low | 143 Ų | 143 | 120.5 Ų | 120.5 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | trans | -85.6 | 164.5 | -151.3 | -78.5 | -77.4 | 0 | 0 | 0 | 119.3 | ||||
| 429 | C | 32.4 | Very low | 38.7 | Very low | 126 Ų | 126 | 117.5 Ų | 117.5 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -38.8 | 141 | 178.1 | -53.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 430 | S | 32.5 | Very low | 39 | Very low | 124 Ų | 124 | 117.7 Ų | 117.7 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -147.8 | 155.3 | 135.3 | 61.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 431 | S | 40.3 | Very low | 40.2 | Very low | 125 Ų | 125 | 119.1 Ų | 119.1 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | -105.6 | 117.8 | -166.8 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 432 | S | 30.9 | Very low | 41.3 | Very low | 101 Ų | 101 | 114.6 Ų | 114.6 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | -139.6 | 121.3 | 162.2 | 53.4 | 0 | 0 | 0 | 0 | 109.7 | E434 | S432-E434 PolarHBondContact O-N 3.32Š| ||
| 433 | S | 38.2 | Very low | 42.7 | Very low | 132 Ų | 132 | 112.6 Ų | 112.6 | 92% | 0.923 | 72% | 0.715 | S | S | * | * | trans | -81.9 | 82 | -176.8 | -174.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 434 | E | 33.5 | Very low | 44.1 | Very low | 172 Ų | 172 | 108.9 Ų | 108.9 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | trans | -81.5 | 119.7 | 161.9 | -64.8 | -161.8 | 138.3 | 0 | 0 | 109 | S432 N436 | S432-E434 PolarHBondContact O-N 3.32Å; E434-N436 PolarHBondContact O-N 2.58Å | ||
| 435 | A | 35.8 | Very low | 46.3 | Very low | 96 Ų | 96 | 105.6 Ų | 105.6 | 79% | 0.793 | 66% | 0.662 | S | S | * | * | trans | -70.2 | 114.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | G437 | A435-G437 VanDerWaalsContact C-N 3.26Å; A435-G437 PolarHBondContact O-N 3.13Å | ||
| 436 | N | 39.3 | Very low | 48.7 | Very low | 158 Ų | 158 | 97.5 Ų | 97.5 | 85% | 0.845 | 63% | 0.625 | S | S | * | * | trans | -64.3 | 88 | 170.5 | -89.7 | -39.4 | 0 | 0 | 0 | 109.5 | E434 T438 | E434-N436 PolarHBondContact O-N 2.58Å; N436-T438 PolarHBondContact O-N 3.4Å | ||
| 437 | G | 40.7 | Very low | 51 | Low | 74 Ų | 74 | 96.9 Ų | 96.9 | 76% | 0.763 | 62% | 0.62 | S | S | * | * | trans | -60.7 | 105.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | A435 G439 | A435-G437 VanDerWaalsContact C-N 3.26Å; A435-G437 PolarHBondContact O-N 3.13Å; G437-G439 PolarHBondContact O-N 3.25Å | ||
| 438 | T | 44.1 | Very low | 53.5 | Low | 123 Ų | 123 | 93 Ų | 93 | 76% | 0.755 | 60% | 0.599 | S | S | * | * | trans | -71.7 | 77.6 | 174.8 | 48.4 | 0 | 0 | 0 | 0 | 109.4 | N436 L440 | N436-T438 PolarHBondContact O-N 3.4Å; T438-L440 PolarHBondContact O-N 2.99Å | ||
| 439 | G | 46.8 | Very low | 56 | Low | 42 Ų | 42 | 96.1 Ų | 96.1 | 43% | 0.433 | 60% | 0.6 | S | S | . | * | trans | -56.6 | 106.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | R415 G437 | R415-G439 WeakPolarHBondContact CB-O 3.39Å; R415-G439 PolarHBondContact N-O 3.12Å; G437-G439 PolarHBondContact O-N 3.25Å | ||
| 440 | L | 56.4 | Low | 58.7 | Low | 85 Ų | 85 | 91.6 Ų | 91.6 | 45% | 0.445 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.9 | 117.9 | 165.4 | -103.1 | 60.2 | 0 | 0 | 0 | 107.3 | L412 T438 | L412-L440 HydrophobicContact CB-CD2 4.23Å; L412-L440 HydrophobicContact CB-CG 4.46Å; L412-L440 HydrophobicContact CD1-CD2 4.06Å; L412-L440 HydrophobicContact CD2-CB 4.24Å; L412-L440 HydrophobicContact CD2-CD2 4.25Å; L412-L440 HydrophobicContact CG-CD2 4.42Å; T438-L440 PolarHBondContact O-N 2.99Å |
| 441 | E | 62.5 | Low | 61.5 | Low | 102 Ų | 102 | 85.8 Ų | 85.8 | 48% | 0.477 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 117.3 | 177.8 | -158.6 | 168.4 | 157.9 | 0 | 0 | 108.4 | V413 L443 | V413-E441 PolarHBondContact N-O 2.73Å; V413-E441 PolarHBondContact O-N 2.78Å; E441-L443 HydrophobicContact CG-CG 4.45Å; E441-L443 PolarHBondContact O-N 3.31Å |
| 442 | L | 67.8 | Low | 63.9 | Low | 65 Ų | 65 | 81.3 Ų | 81.3 | 34% | 0.34 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 117.1 | 178.5 | -173.5 | 76.1 | 0 | 0 | 0 | 109.6 | I386 L393 Y410 L412 | I386-L442 HydrophobicContact CG2-CD2 3.29Å; L393-L442 HydrophobicContact CD2-CD1 3.94Å; Y410-L442 HydrophobicContact CD1-CD1 4.37Å; Y410-L442 HydrophobicContact CD1-CD2 3.86Å; Y410-L442 HydrophobicContact CD1-CG 4.02Å; Y410-L442 HydrophobicContact CE1-CD2 4.25Å; L412-L442 HydrophobicContact CD2-CB 4.21Å; L412-L442 HydrophobicContact CD2-CD1 3.57Å; L412-L442 HydrophobicContact CG-CD1 4.02Å |
| 443 | L | 69.3 | Low | 66.9 | Low | 69 Ų | 69 | 82 Ų | 82 | 36% | 0.361 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 162.4 | -176.8 | -70.2 | 166.4 | 0 | 0 | 0 | 110.6 | Y410 Y411 V413 E441 | Y410-L443 CarbonylContact C-O 3.19Å; Y410-L443 WeakPolarHBondContact CA-O 3.37Å; Y411-L443 WeakPolarHBondContact CD1-O 3.35Å; Y411-L443 HydrophobicContact CD2-CB 3.81Å; Y411-L443 HydrophobicContact CE2-CB 3.3Å; Y411-L443 HydrophobicContact CE2-CD1 4.38Å; Y411-L443 HydrophobicContact CE2-CG 4.47Å; Y411-L443 PolarHBondContact N-O 3.41Å; Y411-L443 PolarHBondContact O-N 3.16Å; V413-L443 HydrophobicContact CB-CD1 4.21Å; V413-L443 HydrophobicContact CG2-CD1 3.83Å; E441-L443 HydrophobicContact CG-CG 4.45Å; E441-L443 PolarHBondContact O-N 3.31Å |
| 444 | G | 73.6 | Confident | 69.6 | Low | 44 Ų | 44 | 76.7 Ų | 76.7 | 45% | 0.454 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 84.9 | -150.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y411 | Y411-G444 VanDerWaalsContact CE1-CA 3.4Å |
| 445 | G | 83.1 | Confident | 72.5 | Confident | 15 Ų | 15 | 68.5 Ų | 68.5 | 16% | 0.155 | 41% | 0.412 | C | S | . | . | trans | 86.9 | 166.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.3 | T408 P409 | T408-G445 CarbonylContact O-C 3.3Å; T408-G445 VanDerWaalsContact O-C 3.3Å; T408-G445 WeakPolarHBondContact O-CA 3.21Å; T408-G445 PolarHBondContact O-N 2.71Å; P409-G445 PolarHBondContact O-N 2.9Å | ||
| 446 | P | 87 | Confident | 75.3 | Confident | 13 Ų | 13 | 66.4 Ų | 66.4 | 8% | 0.084 | 39% | 0.388 | C | S | . | . | trans | -73.8 | 149.1 | -178.2 | 31.2 | -35.1 | 0 | 0 | 0 | 111.5 | L399 L402 A403 L406 L448 A451 | L399-P446 HydrophobicContact CD1-CG 3.88Å; L402-P446 HydrophobicContact CD2-CG 4.28Å; L402-P446 HydrophobicContact CG-CG 4.42Å; A403-P446 HydrophobicContact CB-CG 4.37Å; L406-P446 HydrophobicContact CD1-CB 3.9Å; P446-L448 PolarHBondContact O-N 2.75Å; P446-A451 HydrophobicContact CG-CB 4.44Å | ||
| 447 | S | 87.9 | Confident | 78 | Confident | 79 Ų | 79 | 62.7 Ų | 62.7 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | trans | -59.1 | 140.5 | -179.6 | 74.7 | 0 | 0 | 0 | 0 | 112.2 | R449 S450 A451 | S447-R449 PolarHBondContact O-N 3.19Å; S447-S450 WeakPolarHBondContact O-CA 3.37Å; S447-S450 WeakPolarHBondContact O-CB 3.47Å; S447-S450 PolarHBondContact O-N 3.07Å; S447-S450 PolarHBondContact OG-N 3Å; S447-A451 PolarHBondContact O-N 2.97Å | ||
| 448 | L | 84.9 | Confident | 80.5 | Confident | 64 Ų | 64 | 59.6 Ų | 59.6 | 34% | 0.335 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -48.6 | -37.6 | 179.7 | 179 | 67.8 | 0 | 0 | 0 | 113.5 | V248 F379 P446 Y452 | V248-L448 HydrophobicContact CG1-CD1 4.3Å; V248-L448 HydrophobicContact CG1-CD2 3.73Å; V248-L448 HydrophobicContact CG2-CD1 4.31Å; F379-L448 HydrophobicContact CE1-CD1 4.3Å; F379-L448 HydrophobicContact CE2-CD1 4.19Å; F379-L448 HydrophobicContact CZ-CD1 3.61Å; P446-L448 PolarHBondContact O-N 2.75Å; L448-Y452 VanDerWaalsContact O-CB 3.24Å; L448-Y452 WeakPolarHBondContact O-CB 3.47Å; L448-Y452 PolarHBondContact O-N 3.49Å |
| 449 | R | 88.4 | Confident | 83 | Confident | 210 Ų | 210 | 53.7 Ų | 53.7 | 79% | 0.792 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 175.9 | -69.1 | -177.6 | 179.4 | 171.6 | 0.1 | 111.9 | S447 I453 | S447-R449 PolarHBondContact O-N 3.19Å; R449-I453 WeakPolarHBondContact O-CB 3.23Å; R449-I453 WeakPolarHBondContact O-CD1 3.35Å; R449-I453 WeakPolarHBondContact O-CG1 3.19Å; R449-I453 PolarHBondContact O-N 2.85Å |
| 450 | S | 89.9 | Confident | 85.3 | Confident | 30 Ų | 30 | 55 Ų | 55 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.4 | -50.7 | 178.4 | 177.2 | 0 | 0 | 0 | 0 | 111 | L406 S447 Y452 I453 T454 | L406-S450 WeakPolarHBondContact CD1-OG 3.48Å; S447-S450 WeakPolarHBondContact O-CA 3.37Å; S447-S450 WeakPolarHBondContact O-CB 3.47Å; S447-S450 PolarHBondContact O-N 3.07Å; S447-S450 PolarHBondContact OG-N 3Å; S450-Y452 VanDerWaalsContact C-N 3.26Å; S450-Y452 PolarHBondContact O-N 2.92Å; S450-I453 PolarHBondContact O-N 3.06Å; S450-I453 VanDerWaalsContact O-N 3.12Å; S450-T454 WeakPolarHBondContact O-CB 3.41Å; S450-T454 PolarHBondContact O-N 3.25Å; S450-T454 PolarHBondContact O-OG1 3.15Å |
| 451 | A | 90 | Very high | 87.1 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.1 | -40.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F379 L399 L402 P446 S447 S455 | F379-A451 HydrophobicContact CD2-CB 4.24Å; F379-A451 HydrophobicContact CE2-CB 3.78Å; L399-A451 HydrophobicContact CD1-CB 3.84Å; L402-A451 HydrophobicContact CD2-CB 4.38Å; P446-A451 HydrophobicContact CG-CB 4.44Å; S447-A451 PolarHBondContact O-N 2.97Å; A451-S455 PolarHBondContact O-N 3.29Å |
| 452 | Y | 92.1 | Very high | 88.6 | Confident | 30 Ų | 30 | 47.3 Ų | 47.3 | 12% | 0.118 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.5 | -41.1 | 175.8 | -171.5 | -94.4 | 0 | 0 | 0 | 113.9 | Y244 H372 L448 S450 T454 S455 L456 | Y244-Y452 HydrophobicContact CD2-CD2 4.11Å; Y244-Y452 HydrophobicContact CD2-CE1 4.35Å; Y244-Y452 AromaticContact CD2-CE2 3.73Å; Y244-Y452 HydrophobicContact CD2-CE2 3.73Å; Y244-Y452 AromaticContact CD2-CZ 3.88Å; Y244-Y452 HydrophobicContact CE2-CD1 4.34Å; Y244-Y452 HydrophobicContact CE2-CD2 4.06Å; Y244-Y452 HydrophobicContact CE2-CE1 4.4Å; Y244-Y452 HydrophobicContact CE2-CE2 4.13Å; Y244-Y452 HydrophobicContact CE2-CG 4.19Å; H372-Y452 PolarHBondContact CE1-OH 2.83Å; H372-Y452 PolarHBondContact ND1-OH 2.75Å; L448-Y452 VanDerWaalsContact O-CB 3.24Å; L448-Y452 WeakPolarHBondContact O-CB 3.47Å; L448-Y452 PolarHBondContact O-N 3.49Å; S450-Y452 VanDerWaalsContact C-N 3.26Å; S450-Y452 PolarHBondContact O-N 2.92Å; Y452-T454 VanDerWaalsContact C-N 3.29Å; Y452-T454 PolarHBondContact O-N 3.12Å; Y452-S455 PolarHBondContact O-N 3.16Å; Y452-S455 PolarHBondContact O-OG 3.25Å; Y452-L456 PolarHBondContact O-N 3.13Å |
| 453 | I | 93.4 | Very high | 89.8 | Confident | 116 Ų | 116 | 44.2 Ų | 44.2 | 60% | 0.595 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -64.5 | -38.5 | 175.2 | -72.1 | 165.5 | 0 | 0 | 0 | 110.2 | R449 S450 L456 Y457 | R449-I453 WeakPolarHBondContact O-CB 3.23Å; R449-I453 WeakPolarHBondContact O-CD1 3.35Å; R449-I453 WeakPolarHBondContact O-CG1 3.19Å; R449-I453 PolarHBondContact O-N 2.85Å; S450-I453 PolarHBondContact O-N 3.06Å; S450-I453 VanDerWaalsContact O-N 3.12Å; I453-L456 PolarHBondContact O-N 3.05Å; I453-Y457 WeakPolarHBondContact O-CB 3.49Å; I453-Y457 PolarHBondContact O-N 2.92Å |
| 454 | T | 94.1 | Very high | 90.9 | Very high | 21 Ų | 21 | 43.1 Ų | 43.1 | 13% | 0.129 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.6 | -39.4 | 176 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | W398 L402 S450 Y452 L456 Y457 F458 V471 | W398-T454 HydrophobicContact CZ3-CG2 3.96Å; L402-T454 HydrophobicContact CD1-CG2 3.97Å; L402-T454 HydrophobicContact CD2-CG2 3.86Å; L402-T454 HydrophobicContact CG-CG2 4.47Å; S450-T454 WeakPolarHBondContact O-CB 3.41Å; S450-T454 PolarHBondContact O-N 3.25Å; S450-T454 PolarHBondContact O-OG1 3.15Å; Y452-T454 VanDerWaalsContact C-N 3.29Å; Y452-T454 PolarHBondContact O-N 3.12Å; T454-L456 VanDerWaalsContact C-N 3.32Å; T454-L456 PolarHBondContact O-N 3.31Å; T454-Y457 PolarHBondContact O-N 3.05Å; T454-F458 PolarHBondContact O-N 3.3Å; T454-V471 HydrophobicContact CG2-CG2 3.42Å; T454-V471 VanDerWaalsContact CG2-CG2 3.42Å |
| 455 | S | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.2 | -34.7 | 174.2 | 74.7 | 0 | 0 | 0 | 0 | 112.3 | A375 A451 Y452 A459 | A375-S455 WeakPolarHBondContact O-CB 3.32Å; A375-S455 PolarHBondContact O-OG 2.89Å; A451-S455 PolarHBondContact O-N 3.29Å; Y452-S455 PolarHBondContact O-N 3.16Å; Y452-S455 PolarHBondContact O-OG 3.25Å; S455-A459 WeakPolarHBondContact O-CB 3.44Å; S455-A459 PolarHBondContact O-N 3.37Å |
| 456 | L | 95.1 | Very high | 92.3 | Very high | 52 Ų | 52 | 49.1 Ų | 49.1 | 27% | 0.272 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -70.3 | -36.9 | 173.2 | -173.2 | 62.1 | 0 | 0 | 0 | 112.7 | A371 A375 Y452 I453 T454 A459 L460 | A371-L456 HydrophobicContact CB-CD1 4.4Å; A375-L456 HydrophobicContact CB-CB 4.02Å; A375-L456 HydrophobicContact CB-CD1 3.91Å; Y452-L456 PolarHBondContact O-N 3.13Å; I453-L456 PolarHBondContact O-N 3.05Å; T454-L456 VanDerWaalsContact C-N 3.32Å; T454-L456 PolarHBondContact O-N 3.31Å; L456-A459 PolarHBondContact O-N 2.82Å; L456-L460 HydrophobicContact CD1-CD1 4.31Å; L456-L460 HydrophobicContact CD1-CG 4.31Å; L456-L460 HydrophobicContact CG-CD1 4.01Å; L456-L460 HydrophobicContact CG-CG 4.45Å; L456-L460 VanDerWaalsContact O-CB 3.31Å; L456-L460 WeakPolarHBondContact O-CB 3.35Å; L456-L460 VanDerWaalsContact O-CG 3.31Å; L456-L460 WeakPolarHBondContact O-CG 3.48Å; L456-L460 PolarHBondContact O-N 3.28Å |
| 457 | Y | 95.3 | Very high | 92.3 | Very high | 79 Ų | 79 | 51 Ų | 51 | 31% | 0.31 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 172.3 | 167.7 | -99.9 | 0 | 0 | 0 | 112.1 | I453 T454 S461 F468 N470 V471 | I453-Y457 WeakPolarHBondContact O-CB 3.49Å; I453-Y457 PolarHBondContact O-N 2.92Å; T454-Y457 PolarHBondContact O-N 3.05Å; Y457-S461 WeakPolarHBondContact O-CB 3.34Å; Y457-S461 PolarHBondContact O-N 3.49Å; Y457-S461 PolarHBondContact O-OG 3.04Å; Y457-F468 AromaticContact CE2-CD2 3.69Å; Y457-F468 HydrophobicContact CE2-CD2 3.69Å; Y457-F468 AromaticContact CE2-CE2 3.94Å; Y457-F468 HydrophobicContact CE2-CE2 3.94Å; Y457-F468 AromaticContact CZ-CD2 3.64Å; Y457-F468 VanDerWaalsContact OH-CB 3.22Å; Y457-F468 WeakPolarHBondContact OH-CB 3.35Å; Y457-F468 VanDerWaalsContact OH-CD2 3.25Å; Y457-F468 WeakPolarHBondContact OH-CD2 3.21Å; Y457-F468 WeakPolarHBondContact OH-CG 3.44Å; Y457-N470 HydrophobicContact CE1-CB 4.03Å; Y457-N470 PolarHBondContact OH-ND2 3.45Å; Y457-N470 VanDerWaalsContact OH-ND2 3.08Å; Y457-V471 HydrophobicContact CD1-CG2 4.16Å; Y457-V471 HydrophobicContact CE1-CG2 4.32Å |
| 458 | F | 95.1 | Very high | 92.4 | Very high | 9 Ų | 9 | 53 Ų | 53 | 4% | 0.039 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 172.6 | 172.6 | -99.9 | 0 | 0 | 0 | 111.7 | W378 T454 L460 S461 S462 V471 | W378-F458 HydrophobicContact CB-CD1 4.38Å; W378-F458 AromaticContact CD1-CD1 3.74Å; W378-F458 AromaticContact CD2-CD1 3.49Å; W378-F458 HydrophobicContact CD2-CD1 3.49Å; W378-F458 VanDerWaalsContact CD2-CD1 3.49Å; W378-F458 AromaticContact CD2-CE1 3.45Å; W378-F458 HydrophobicContact CD2-CE1 3.45Å; W378-F458 VanDerWaalsContact CD2-CE1 3.45Å; W378-F458 HydrophobicContact CD2-CG 4.34Å; W378-F458 HydrophobicContact CD2-CZ 4.28Å; W378-F458 AromaticContact CE2-CD1 3.49Å; W378-F458 VanDerWaalsContact CE2-CD1 3.49Å; W378-F458 AromaticContact CE2-CE1 3.64Å; W378-F458 AromaticContact CE2-CG 3.87Å; W378-F458 HydrophobicContact CE3-CD1 4.11Å; W378-F458 AromaticContact CE3-CE1 3.57Å; W378-F458 HydrophobicContact CE3-CE1 3.57Å; W378-F458 HydrophobicContact CE3-CZ 4.19Å; W378-F458 AromaticContact CG-CD1 3.63Å; W378-F458 HydrophobicContact CG-CD1 3.63Å; W378-F458 HydrophobicContact CG-CE1 4.02Å; W378-F458 AromaticContact CH2-CE1 3.98Å; W378-F458 HydrophobicContact CH2-CE1 3.98Å; W378-F458 HydrophobicContact CH2-CE2 4.29Å; W378-F458 AromaticContact CH2-CZ 3.81Å; W378-F458 HydrophobicContact CH2-CZ 3.81Å; W378-F458 HydrophobicContact CZ2-CD1 4.08Å; W378-F458 HydrophobicContact CZ2-CD2 4.27Å; W378-F458 AromaticContact CZ2-CE1 3.92Å; W378-F458 HydrophobicContact CZ2-CE1 3.92Å; W378-F458 HydrophobicContact CZ2-CE2 4.11Å; W378-F458 HydrophobicContact CZ2-CG 4.25Å; W378-F458 AromaticContact CZ2-CZ 3.94Å; W378-F458 HydrophobicContact CZ2-CZ 3.94Å; W378-F458 AromaticContact CZ3-CE1 3.82Å; W378-F458 HydrophobicContact CZ3-CE1 3.82Å; W378-F458 AromaticContact CZ3-CZ 3.96Å; W378-F458 HydrophobicContact CZ3-CZ 3.96Å; W378-F458 AromaticContact NE1-CD1 3.63Å; W378-F458 AromaticContact NE1-CG 3.8Å; T454-F458 PolarHBondContact O-N 3.3Å; F458-L460 PolarHBondContact O-N 3.17Å; F458-S461 PolarHBondContact O-N 3.27Å; F458-S461 PolarHBondContact O-OG 3.33Å; F458-S462 WeakPolarHBondContact CE2-OG 3.4Å; F458-S462 VanDerWaalsContact O-CB 3.29Å; F458-S462 WeakPolarHBondContact O-CB 3.46Å; F458-S462 PolarHBondContact O-N 3.07Å; F458-S462 PolarHBondContact O-OG 3.04Å; F458-V471 HydrophobicContact CB-CB 4.2Å; F458-V471 HydrophobicContact CB-CG1 4.03Å; F458-V471 HydrophobicContact CD2-CB 4.11Å; F458-V471 HydrophobicContact CD2-CG1 3.98Å; F458-V471 HydrophobicContact CG-CG1 4.18Å |
| 459 | A | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A371 V374 A375 S455 L456 L463 | A371-A459 VanDerWaalsContact O-CB 3.31Å; A371-A459 WeakPolarHBondContact O-CB 3.17Å; V374-A459 HydrophobicContact CB-CB 3.9Å; V374-A459 HydrophobicContact CG1-CB 3.55Å; A375-A459 HydrophobicContact CB-CB 3.91Å; S455-A459 WeakPolarHBondContact O-CB 3.44Å; S455-A459 PolarHBondContact O-N 3.37Å; L456-A459 PolarHBondContact O-N 2.82Å; A459-L463 VanDerWaalsContact O-CB 3.28Å; A459-L463 WeakPolarHBondContact O-CB 3.25Å; A459-L463 VanDerWaalsContact O-CG 3.25Å; A459-L463 WeakPolarHBondContact O-CG 3.45Å; A459-L463 PolarHBondContact O-N 3.09Å |
| 460 | L | 94.5 | Very high | 92.2 | Very high | 68 Ų | 68 | 46.7 Ų | 46.7 | 36% | 0.356 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.4 | -49.5 | 177.5 | -75.9 | 168.7 | 0 | 0 | 0 | 111.6 | F367 A371 L456 F458 S462 L463 T464 | F367-L460 HydrophobicContact CE1-CD2 4.11Å; A371-L460 HydrophobicContact CB-CD2 3.57Å; A371-L460 HydrophobicContact CB-CG 4.05Å; L456-L460 HydrophobicContact CD1-CD1 4.31Å; L456-L460 HydrophobicContact CD1-CG 4.31Å; L456-L460 HydrophobicContact CG-CD1 4.01Å; L456-L460 HydrophobicContact CG-CG 4.45Å; L456-L460 VanDerWaalsContact O-CB 3.31Å; L456-L460 WeakPolarHBondContact O-CB 3.35Å; L456-L460 VanDerWaalsContact O-CG 3.31Å; L456-L460 WeakPolarHBondContact O-CG 3.48Å; L456-L460 PolarHBondContact O-N 3.28Å; F458-L460 PolarHBondContact O-N 3.17Å; L460-S462 VanDerWaalsContact C-N 3.3Å; L460-S462 PolarHBondContact O-N 3.28Å; L460-L463 PolarHBondContact O-N 3.43Å; L460-T464 WeakPolarHBondContact O-CB 3.42Å; L460-T464 WeakPolarHBondContact O-CG2 3.36Å; L460-T464 PolarHBondContact O-N 2.96Å; L460-T464 PolarHBondContact O-OG1 3.05Å |
| 461 | S | 94.6 | Very high | 92.1 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.3 | -28.1 | -178.4 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | Y457 F458 V466 G467 | Y457-S461 WeakPolarHBondContact O-CB 3.34Å; Y457-S461 PolarHBondContact O-N 3.49Å; Y457-S461 PolarHBondContact O-OG 3.04Å; F458-S461 PolarHBondContact O-N 3.27Å; F458-S461 PolarHBondContact O-OG 3.33Å; S461-V466 PolarHBondContact O-N 3.17Å; S461-G467 PolarHBondContact O-N 2.97Å |
| 462 | S | 93.8 | Very high | 92 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -74.6 | -47.5 | 171.7 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | F458 L460 T464 S465 | F458-S462 WeakPolarHBondContact CE2-OG 3.4Å; F458-S462 VanDerWaalsContact O-CB 3.29Å; F458-S462 WeakPolarHBondContact O-CB 3.46Å; F458-S462 PolarHBondContact O-N 3.07Å; F458-S462 PolarHBondContact O-OG 3.04Å; L460-S462 VanDerWaalsContact C-N 3.3Å; L460-S462 PolarHBondContact O-N 3.28Å; S462-T464 VanDerWaalsContact C-N 3.33Å; S462-T464 PolarHBondContact O-N 3.47Å; S462-S465 PolarHBondContact O-N 2.91Å; S462-S465 VanDerWaalsContact O-N 3.12Å |
| 463 | L | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.9 | -27.1 | 179.9 | -71.6 | 171.1 | 0 | 0 | 0 | 113.2 | F367 L370 A371 V374 A459 L460 S465 T485 H493 | F367-L463 HydrophobicContact CE2-CB 3.96Å; F367-L463 HydrophobicContact CZ-CB 4.1Å; L370-L463 HydrophobicContact CD2-CD1 4.19Å; L370-L463 HydrophobicContact CD2-CD2 3.9Å; L370-L463 HydrophobicContact CG-CD1 4.01Å; L370-L463 HydrophobicContact CG-CD2 4.39Å; A371-L463 VanDerWaalsContact CA-CD1 3.45Å; A371-L463 HydrophobicContact CB-CD1 3.78Å; V374-L463 HydrophobicContact CB-CD1 4.46Å; V374-L463 HydrophobicContact CG2-CD1 4.23Å; A459-L463 VanDerWaalsContact O-CB 3.28Å; A459-L463 WeakPolarHBondContact O-CB 3.25Å; A459-L463 VanDerWaalsContact O-CG 3.25Å; A459-L463 WeakPolarHBondContact O-CG 3.45Å; A459-L463 PolarHBondContact O-N 3.09Å; L460-L463 PolarHBondContact O-N 3.43Å; L463-S465 VanDerWaalsContact C-N 3.29Å; L463-T485 HydrophobicContact CD2-CG2 4.04Å; L463-T485 HydrophobicContact CG-CG2 4.14Å; L463-H493 PolarHBondContact O-CD2 3.42Å; L463-H493 PolarHBondContact O-NE2 3.32Å |
| 464 | T | 93.3 | Very high | 91.7 | Very high | 45 Ų | 45 | 45.1 Ų | 45.1 | 28% | 0.276 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 1.4 | 171.4 | 58.5 | 0 | 0 | 0 | 0 | 114 | F367 L460 S462 V466 H493 | F367-T464 HydrophobicContact CE1-CG2 4.37Å; F367-T464 HydrophobicContact CZ-CG2 3.74Å; L460-T464 WeakPolarHBondContact O-CB 3.42Å; L460-T464 WeakPolarHBondContact O-CG2 3.36Å; L460-T464 PolarHBondContact O-N 2.96Å; L460-T464 PolarHBondContact O-OG1 3.05Å; S462-T464 VanDerWaalsContact C-N 3.33Å; S462-T464 PolarHBondContact O-N 3.47Å; T464-V466 PolarHBondContact O-N 3.46Å; T464-V466 WeakPolarHBondContact OG1-CG2 3.41Å; T464-H493 WeakPolarHBondContact CA-NE2 3.28Å |
| 465 | S | 90.4 | Very high | 91.5 | Very high | 103 Ų | 103 | 45.3 Ų | 45.3 | 72% | 0.72 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 21.9 | -174.2 | 62.9 | 0 | 0 | 0 | 0 | 115.6 | S462 L463 | S462-S465 PolarHBondContact O-N 2.91Å; S462-S465 VanDerWaalsContact O-N 3.12Å; L463-S465 VanDerWaalsContact C-N 3.29Å |
| 466 | V | 94.1 | Very high | 91.3 | Very high | 82 Ų | 82 | 50.8 Ų | 50.8 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | trans | -84.7 | -34.7 | 180 | 177.7 | 0 | 0 | 0 | 0 | 112.4 | S461 T464 F468 | S461-V466 PolarHBondContact O-N 3.17Å; T464-V466 PolarHBondContact O-N 3.46Å; T464-V466 WeakPolarHBondContact OG1-CG2 3.41Å; V466-F468 HydrophobicContact CB-CE2 4.5Å; V466-F468 HydrophobicContact CG1-CD1 3.91Å; V466-F468 HydrophobicContact CG1-CD2 4.09Å; V466-F468 HydrophobicContact CG1-CE1 3.55Å; V466-F468 HydrophobicContact CG1-CE2 3.74Å; V466-F468 HydrophobicContact CG1-CG 4.17Å; V466-F468 HydrophobicContact CG1-CZ 3.46Å; V466-F468 VanDerWaalsContact CG1-CZ 3.46Å; V466-F468 PolarHBondContact O-N 3.13Å | ||
| 467 | G | 88 | Confident | 91.1 | Very high | 53 Ų | 53 | 52.1 Ų | 52.1 | 55% | 0.546 | 32% | 0.319 | S | S | . | . | trans | 56.7 | 44.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | S461 G469 | S461-G467 PolarHBondContact O-N 2.97Å; G467-G469 PolarHBondContact O-N 2.83Å | ||
| 468 | F | 89 | Confident | 91 | Very high | 122 Ų | 122 | 48.4 Ų | 48.4 | 54% | 0.535 | 30% | 0.304 | S | S | . | . | trans | -54.3 | -9 | -173.1 | -66.1 | -68.7 | 0 | 0 | 0 | 117.9 | Y457 V466 N470 | Y457-F468 AromaticContact CE2-CD2 3.69Å; Y457-F468 HydrophobicContact CE2-CD2 3.69Å; Y457-F468 AromaticContact CE2-CE2 3.94Å; Y457-F468 HydrophobicContact CE2-CE2 3.94Å; Y457-F468 AromaticContact CZ-CD2 3.64Å; Y457-F468 VanDerWaalsContact OH-CB 3.22Å; Y457-F468 WeakPolarHBondContact OH-CB 3.35Å; Y457-F468 VanDerWaalsContact OH-CD2 3.25Å; Y457-F468 WeakPolarHBondContact OH-CD2 3.21Å; Y457-F468 WeakPolarHBondContact OH-CG 3.44Å; V466-F468 HydrophobicContact CB-CE2 4.5Å; V466-F468 HydrophobicContact CG1-CD1 3.91Å; V466-F468 HydrophobicContact CG1-CD2 4.09Å; V466-F468 HydrophobicContact CG1-CE1 3.55Å; V466-F468 HydrophobicContact CG1-CE2 3.74Å; V466-F468 HydrophobicContact CG1-CG 4.17Å; V466-F468 HydrophobicContact CG1-CZ 3.46Å; V466-F468 VanDerWaalsContact CG1-CZ 3.46Å; V466-F468 PolarHBondContact O-N 3.13Å; F468-N470 PolarHBondContact O-N 3.05Å | ||
| 469 | G | 83.6 | Confident | 90.9 | Very high | 52 Ų | 52 | 51.6 Ų | 51.6 | 54% | 0.536 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 69.8 | -11.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | G467 V471 | G467-G469 PolarHBondContact O-N 2.83Å; G469-V471 PolarHBondContact O-N 2.92Å |
| 470 | N | 85.6 | Confident | 90.9 | Very high | 88 Ų | 88 | 56.8 Ų | 56.8 | 47% | 0.471 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -63.7 | -21.3 | 178.4 | -74.8 | -39.3 | 0 | 0 | 0 | 114.4 | R405 Y457 F468 | R405-N470 PolarHBondContact NH1-O 2.89Å; Y457-N470 HydrophobicContact CE1-CB 4.03Å; Y457-N470 PolarHBondContact OH-ND2 3.45Å; Y457-N470 VanDerWaalsContact OH-ND2 3.08Å; F468-N470 PolarHBondContact O-N 3.05Å |
| 471 | V | 88.5 | Confident | 90.9 | Very high | 23 Ų | 23 | 55.3 Ų | 55.3 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -134.1 | 125 | 169.4 | -175.7 | 0 | 0 | 0 | 0 | 105.7 | W378 W398 T454 Y457 F458 G469 | W378-V471 HydrophobicContact CZ2-CG1 4.26Å; W398-V471 HydrophobicContact CB-CG1 4.44Å; W398-V471 HydrophobicContact CD2-CG1 4.44Å; W398-V471 HydrophobicContact CE3-CG1 3.88Å; T454-V471 HydrophobicContact CG2-CG2 3.42Å; T454-V471 VanDerWaalsContact CG2-CG2 3.42Å; Y457-V471 HydrophobicContact CD1-CG2 4.16Å; Y457-V471 HydrophobicContact CE1-CG2 4.32Å; F458-V471 HydrophobicContact CB-CB 4.2Å; F458-V471 HydrophobicContact CB-CG1 4.03Å; F458-V471 HydrophobicContact CD2-CB 4.11Å; F458-V471 HydrophobicContact CD2-CG1 3.98Å; F458-V471 HydrophobicContact CG-CG1 4.18Å; G469-V471 PolarHBondContact O-N 2.92Å |
| 472 | S | 88 | Confident | 90.9 | Very high | 47 Ų | 47 | 55.5 Ų | 55.5 | 33% | 0.329 | 34% | 0.336 | S | S | . | . | trans | -128.7 | 159.2 | -174.3 | 54.9 | 0 | 0 | 0 | 0 | 111.2 | N474 | S472-N474 PolarHBondContact OG-OD1 3.48Š| ||
| 473 | A | 90.6 | Very high | 91 | Very high | 26 Ų | 26 | 59.7 Ų | 59.7 | 22% | 0.215 | 36% | 0.356 | C | S | . | . | trans | -88 | 118.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | W378 E478 K479 S482 | W378-A473 HydrophobicContact CH2-CB 3.97Å; A473-E478 HydrophobicContact CB-CB 3.72Å; A473-K479 HydrophobicContact CB-CB 4.46Å; A473-K479 HydrophobicContact CB-CG 3.98Å; A473-S482 VanDerWaalsContact CB-OG 3.32Å; A473-S482 WeakPolarHBondContact CB-OG 3.32Å | ||
| 474 | N | 88.9 | Confident | 91.1 | Very high | 50 Ų | 50 | 62.8 Ų | 62.8 | 27% | 0.267 | 38% | 0.378 | S | S | . | . | trans | -114.1 | -35.7 | -172.9 | -55.4 | -17.5 | 0 | 0 | 0 | 110.9 | I396 S472 E478 K479 | I396-N474 HydrophobicContact CG2-CB 3.62Å; I396-N474 WeakPolarHBondContact O-CB 3.39Å; I396-N474 PolarHBondContact O-ND2 3.01Å; S472-N474 PolarHBondContact OG-OD1 3.48Å; N474-E478 WeakPolarHBondContact CA-OE2 3.49Å; N474-E478 PolarHBondContact N-OE2 3.03Å; N474-K479 WeakPolarHBondContact O-CE 3.38Å; N474-K479 PolarHBondContact O-NZ 3.4Å | ||
| 475 | T | 90 | Very high | 91.2 | Very high | 26 Ų | 26 | 60.8 Ų | 60.8 | 16% | 0.16 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -86.4 | 161.6 | 171.8 | 72.4 | 0 | 0 | 0 | 0 | 111.4 | E385 T477 E478 K479 | E385-T475 PolarHBondContact OE1-OG1 3.27Å; E385-T475 WeakPolarHBondContact OE2-CB 3.32Å; E385-T475 WeakPolarHBondContact OE2-CG2 3.41Å; E385-T475 PolarHBondContact OE2-OG1 3.03Å; T475-T477 PolarHBondContact OG1-OG1 3.21Å; T475-E478 PolarHBondContact N-OE2 3.37Å; T475-E478 PolarHBondContact O-N 3.26Å; T475-E478 WeakPolarHBondContact OG1-CB 3.24Å; T475-E478 VanDerWaalsContact OG1-CD 3.22Å; T475-E478 WeakPolarHBondContact OG1-CG 3.26Å; T475-E478 PolarHBondContact OG1-N 2.86Å; T475-E478 PolarHBondContact OG1-OE2 2.93Å; T475-K479 VanDerWaalsContact C-NZ 3.34Å; T475-K479 VanDerWaalsContact O-CG 3.25Å; T475-K479 WeakPolarHBondContact O-CG 3.49Å; T475-K479 PolarHBondContact O-N 2.79Å; T475-K479 PolarHBondContact O-NZ 3.11Å |
| 476 | D | 90.2 | Very high | 91.4 | Very high | 114 Ų | 114 | 60.9 Ų | 60.9 | 61% | 0.61 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -75 | -30.7 | -174.1 | -67.5 | -26.2 | 0 | 0 | 0 | 112.9 | K479 I480 | D476-K479 PolarHBondContact O-N 3.05Å; D476-K479 IonicContact OD1-NZ 2.73Å; D476-K479 PolarHBondContact OD1-NZ 3.45Å; D476-I480 WeakPolarHBondContact O-CB 3.43Å; D476-I480 WeakPolarHBondContact O-CD1 3.28Å; D476-I480 VanDerWaalsContact O-CG1 3.24Å; D476-I480 WeakPolarHBondContact O-CG1 3.48Å; D476-I480 PolarHBondContact O-N 2.79Å |
| 477 | T | 90.4 | Very high | 91.4 | Very high | 81 Ų | 81 | 63.1 Ų | 63.1 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60 | -49.1 | 167.4 | 28.9 | 0 | 0 | 0 | 0 | 111.8 | E385 T475 K479 I480 F481 | E385-T477 WeakPolarHBondContact OE1-CB 3.33Å; E385-T477 PolarHBondContact OE1-OG1 3.06Å; T475-T477 PolarHBondContact OG1-OG1 3.21Å; T477-K479 VanDerWaalsContact C-N 3.34Å; T477-K479 PolarHBondContact O-N 3.21Å; T477-I480 PolarHBondContact O-N 2.86Å; T477-F481 WeakPolarHBondContact O-CB 3.36Å; T477-F481 PolarHBondContact O-N 2.87Å; T477-F481 VanDerWaalsContact O-N 3.09Å |
| 478 | E | 92.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.7 | -43.7 | 172 | -74.4 | 169.8 | 175.1 | 0 | 0 | 111.9 | W378 I381 W398 A473 N474 T475 F481 S482 | W378-E478 HydrophobicContact CH2-CB 3.72Å; W378-E478 HydrophobicContact CH2-CG 3.8Å; W378-E478 HydrophobicContact CZ3-CB 3.77Å; W378-E478 HydrophobicContact CZ3-CG 3.91Å; I381-E478 HydrophobicContact CG2-CG 4.25Å; W398-E478 PolarHBondContact N-OE1 3.06Å; A473-E478 HydrophobicContact CB-CB 3.72Å; N474-E478 WeakPolarHBondContact CA-OE2 3.49Å; N474-E478 PolarHBondContact N-OE2 3.03Å; T475-E478 PolarHBondContact N-OE2 3.37Å; T475-E478 PolarHBondContact O-N 3.26Å; T475-E478 WeakPolarHBondContact OG1-CB 3.24Å; T475-E478 VanDerWaalsContact OG1-CD 3.22Å; T475-E478 WeakPolarHBondContact OG1-CG 3.26Å; T475-E478 PolarHBondContact OG1-N 2.86Å; T475-E478 PolarHBondContact OG1-OE2 2.93Å; E478-F481 PolarHBondContact O-N 3.47Å; E478-S482 WeakPolarHBondContact O-CB 3.24Å; E478-S482 PolarHBondContact O-N 2.9Å; E478-S482 PolarHBondContact O-OG 2.92Å |
| 479 | K | 94.1 | Very high | 91.9 | Very high | 77 Ų | 77 | 58.6 Ų | 58.6 | 34% | 0.335 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.6 | -47.4 | -179.5 | -73.2 | 177.4 | -153.8 | 89.4 | 0 | 111.7 | A473 N474 T475 D476 T477 F481 S482 I483 | A473-K479 HydrophobicContact CB-CB 4.46Å; A473-K479 HydrophobicContact CB-CG 3.98Å; N474-K479 WeakPolarHBondContact O-CE 3.38Å; N474-K479 PolarHBondContact O-NZ 3.4Å; T475-K479 VanDerWaalsContact C-NZ 3.34Å; T475-K479 VanDerWaalsContact O-CG 3.25Å; T475-K479 WeakPolarHBondContact O-CG 3.49Å; T475-K479 PolarHBondContact O-N 2.79Å; T475-K479 PolarHBondContact O-NZ 3.11Å; D476-K479 PolarHBondContact O-N 3.05Å; D476-K479 IonicContact OD1-NZ 2.73Å; D476-K479 PolarHBondContact OD1-NZ 3.45Å; T477-K479 VanDerWaalsContact C-N 3.34Å; T477-K479 PolarHBondContact O-N 3.21Å; K479-F481 VanDerWaalsContact C-N 3.34Å; K479-F481 PolarHBondContact O-N 3.23Å; K479-S482 WeakPolarHBondContact O-CB 3.44Å; K479-S482 PolarHBondContact O-N 2.67Å; K479-S482 VanDerWaalsContact O-N 3.16Å; K479-I483 WeakPolarHBondContact O-CG1 3.49Å; K479-I483 PolarHBondContact O-N 2.9Å |
| 480 | I | 95.3 | Very high | 92.4 | Very high | 109 Ų | 109 | 59.1 Ų | 59.1 | 56% | 0.559 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.8 | -46.1 | 178.3 | -69.9 | 163.4 | 0 | 0 | 0 | 110.3 | D476 T477 S482 I483 C484 | D476-I480 WeakPolarHBondContact O-CB 3.43Å; D476-I480 WeakPolarHBondContact O-CD1 3.28Å; D476-I480 VanDerWaalsContact O-CG1 3.24Å; D476-I480 WeakPolarHBondContact O-CG1 3.48Å; D476-I480 PolarHBondContact O-N 2.79Å; T477-I480 PolarHBondContact O-N 2.86Å; I480-S482 VanDerWaalsContact C-N 3.3Å; I480-S482 PolarHBondContact O-N 3.27Å; I480-I483 PolarHBondContact O-N 2.81Å; I480-C484 PolarHBondContact O-N 2.98Å; I480-C484 PolarHBondContact O-SG 3.4Å |
| 481 | F | 95.6 | Very high | 92.8 | Very high | 36 Ų | 36 | 60.6 Ų | 60.6 | 16% | 0.158 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 176.3 | 178.5 | -95.1 | 0 | 0 | 0 | 112.6 | V374 V377 W378 I381 T477 E478 K479 C484 T485 | V374-F481 HydrophobicContact CB-CZ 4.35Å; V374-F481 HydrophobicContact CG1-CE1 3.89Å; V374-F481 HydrophobicContact CG1-CZ 3.82Å; V377-F481 HydrophobicContact CB-CE2 3.81Å; V377-F481 HydrophobicContact CB-CZ 3.92Å; V377-F481 HydrophobicContact CG1-CD2 3.94Å; V377-F481 HydrophobicContact CG1-CE2 3.35Å; V377-F481 HydrophobicContact CG1-CZ 3.9Å; W378-F481 HydrophobicContact CB-CE1 4.09Å; W378-F481 AromaticContact CE3-CD1 3.5Å; W378-F481 HydrophobicContact CE3-CD1 3.5Å; W378-F481 VanDerWaalsContact CE3-CD1 3.5Å; W378-F481 AromaticContact CE3-CE1 3.84Å; W378-F481 HydrophobicContact CE3-CE1 3.84Å; W378-F481 AromaticContact CZ3-CD1 3.99Å; W378-F481 HydrophobicContact CZ3-CD1 3.99Å; I381-F481 HydrophobicContact CD1-CB 3.87Å; I381-F481 HydrophobicContact CD1-CD1 4.21Å; I381-F481 HydrophobicContact CD1-CD2 3.78Å; I381-F481 HydrophobicContact CD1-CE2 4.4Å; I381-F481 HydrophobicContact CD1-CG 3.67Å; T477-F481 WeakPolarHBondContact O-CB 3.36Å; T477-F481 PolarHBondContact O-N 2.87Å; T477-F481 VanDerWaalsContact O-N 3.09Å; E478-F481 PolarHBondContact O-N 3.47Å; K479-F481 VanDerWaalsContact C-N 3.34Å; K479-F481 PolarHBondContact O-N 3.23Å; F481-C484 PolarHBondContact O-N 2.95Å; F481-T485 WeakPolarHBondContact CE1-OG1 3.49Å; F481-T485 WeakPolarHBondContact O-CB 3.49Å; F481-T485 PolarHBondContact O-N 2.9Å; F481-T485 PolarHBondContact O-OG1 3.45Å |
| 482 | S | 94.3 | Very high | 92.8 | Very high | 13 Ų | 13 | 60.9 Ų | 60.9 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 176.5 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | A473 E478 K479 I480 C484 T485 M486 | A473-S482 VanDerWaalsContact CB-OG 3.32Å; A473-S482 WeakPolarHBondContact CB-OG 3.32Å; E478-S482 WeakPolarHBondContact O-CB 3.24Å; E478-S482 PolarHBondContact O-N 2.9Å; E478-S482 PolarHBondContact O-OG 2.92Å; K479-S482 WeakPolarHBondContact O-CB 3.44Å; K479-S482 PolarHBondContact O-N 2.67Å; K479-S482 VanDerWaalsContact O-N 3.16Å; I480-S482 VanDerWaalsContact C-N 3.3Å; I480-S482 PolarHBondContact O-N 3.27Å; S482-C484 PolarHBondContact O-N 3.21Å; S482-T485 WeakPolarHBondContact O-CB 3.49Å; S482-T485 PolarHBondContact O-N 3.01Å; S482-M486 WeakPolarHBondContact O-CG 3.43Å; S482-M486 PolarHBondContact O-N 3.16Å |
| 483 | I | 95.2 | Very high | 92.9 | Very high | 106 Ų | 106 | 60.8 Ų | 60.8 | 54% | 0.544 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 175.6 | -68.3 | 163.3 | 0 | 0 | 0 | 110.7 | K479 I480 T485 M486 L487 | K479-I483 WeakPolarHBondContact O-CG1 3.49Å; K479-I483 PolarHBondContact O-N 2.9Å; I480-I483 PolarHBondContact O-N 2.81Å; I483-T485 VanDerWaalsContact C-N 3.34Å; I483-T485 PolarHBondContact O-N 3.31Å; I483-M486 HydrophobicContact CG1-CE 4.25Å; I483-M486 PolarHBondContact O-N 3.34Å; I483-L487 PolarHBondContact O-N 2.98Å; I483-L487 VanDerWaalsContact O-N 3.11Å |
| 484 | C | 95.7 | Very high | 93 | Very high | 66 Ų | 66 | 62.6 Ų | 62.6 | 45% | 0.446 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 174 | -66.3 | 0 | 0 | 0 | 0 | 112 | I480 F481 S482 L487 I488 | I480-C484 PolarHBondContact O-N 2.98Å; I480-C484 PolarHBondContact O-SG 3.4Å; F481-C484 PolarHBondContact O-N 2.95Å; S482-C484 PolarHBondContact O-N 3.21Å; C484-L487 PolarHBondContact O-N 3.25Å; C484-I488 WeakPolarHBondContact O-CD1 3.22Å; C484-I488 VanDerWaalsContact O-CG1 3.26Å; C484-I488 WeakPolarHBondContact O-CG1 3.24Å; C484-I488 PolarHBondContact O-N 2.77Å; C484-I488 VanDerWaalsContact O-N 3.08Å |
| 485 | T | 94.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 63.1 Ų | 63.1 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 179.1 | -62.8 | 0 | 0 | 0 | 0 | 112 | V374 L463 F481 S482 I483 I488 G489 | V374-T485 HydrophobicContact CG1-CG2 3.62Å; V374-T485 HydrophobicContact CG2-CG2 4.34Å; L463-T485 HydrophobicContact CD2-CG2 4.04Å; L463-T485 HydrophobicContact CG-CG2 4.14Å; F481-T485 WeakPolarHBondContact CE1-OG1 3.49Å; F481-T485 WeakPolarHBondContact O-CB 3.49Å; F481-T485 PolarHBondContact O-N 2.9Å; F481-T485 PolarHBondContact O-OG1 3.45Å; S482-T485 WeakPolarHBondContact O-CB 3.49Å; S482-T485 PolarHBondContact O-N 3.01Å; I483-T485 VanDerWaalsContact C-N 3.34Å; I483-T485 PolarHBondContact O-N 3.31Å; T485-I488 PolarHBondContact O-N 3.48Å; T485-G489 PolarHBondContact O-N 2.98Å |
| 486 | M | 94.7 | Very high | 93.1 | Very high | 105 Ų | 105 | 62.9 Ų | 62.9 | 52% | 0.517 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 177.4 | -71.7 | -175.3 | -68.6 | 0 | 0 | 112.1 | S482 I483 G489 A490 | S482-M486 WeakPolarHBondContact O-CG 3.43Å; S482-M486 PolarHBondContact O-N 3.16Å; I483-M486 HydrophobicContact CG1-CE 4.25Å; I483-M486 PolarHBondContact O-N 3.34Å; M486-G489 PolarHBondContact O-N 3.09Å; M486-A490 PolarHBondContact O-N 3.33Å |
| 487 | L | 95.3 | Very high | 93.1 | Very high | 129 Ų | 129 | 63.4 Ų | 63.4 | 68% | 0.675 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.4 | -42.3 | 177.1 | -178.3 | 62.2 | 0 | 0 | 0 | 112.2 | I483 C484 L491 | I483-L487 PolarHBondContact O-N 2.98Å; I483-L487 VanDerWaalsContact O-N 3.11Å; C484-L487 PolarHBondContact O-N 3.25Å; L487-L491 PolarHBondContact O-N 3.49Å |
| 488 | I | 94 | Very high | 93.1 | Very high | 77 Ų | 77 | 61.6 Ų | 61.6 | 40% | 0.395 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 176 | -60.6 | 163.8 | 0 | 0 | 0 | 110.4 | L370 C484 T485 L491 M492 | L370-I488 HydrophobicContact CD1-CG2 4.27Å; L370-I488 HydrophobicContact CD2-CG2 3.68Å; C484-I488 WeakPolarHBondContact O-CD1 3.22Å; C484-I488 VanDerWaalsContact O-CG1 3.26Å; C484-I488 WeakPolarHBondContact O-CG1 3.24Å; C484-I488 PolarHBondContact O-N 2.77Å; C484-I488 VanDerWaalsContact O-N 3.08Å; T485-I488 PolarHBondContact O-N 3.48Å; I488-L491 PolarHBondContact O-N 3.39Å; I488-M492 HydrophobicContact CG2-CG 4.42Å; I488-M492 WeakPolarHBondContact O-CB 3.49Å; I488-M492 WeakPolarHBondContact O-CG 3.46Å; I488-M492 PolarHBondContact O-N 3.33Å |
| 489 | G | 93.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T485 M486 L491 M492 H493 | T485-G489 PolarHBondContact O-N 2.98Å; M486-G489 PolarHBondContact O-N 3.09Å; G489-L491 PolarHBondContact O-N 3.03Å; G489-M492 PolarHBondContact O-N 3.24Å; G489-H493 PolarHBondContact O-N 2.91Å |
| 490 | A | 93.4 | Very high | 92.6 | Very high | 64 Ų | 64 | 62.5 Ų | 62.5 | 53% | 0.529 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M486 H493 A494 | M486-A490 PolarHBondContact O-N 3.33Å; A490-H493 PolarHBondContact O-N 2.95Å; A490-A494 PolarHBondContact O-N 2.76Å |
| 491 | L | 92.8 | Very high | 92.3 | Very high | 119 Ų | 119 | 60.6 Ų | 60.6 | 62% | 0.623 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.3 | -41.9 | 175.9 | -178.4 | 62 | 0 | 0 | 0 | 111.9 | L487 I488 G489 A494 V495 | L487-L491 PolarHBondContact O-N 3.49Å; I488-L491 PolarHBondContact O-N 3.39Å; G489-L491 PolarHBondContact O-N 3.03Å; L491-A494 PolarHBondContact O-N 3.38Å; L491-V495 WeakPolarHBondContact O-CG2 3.31Å; L491-V495 PolarHBondContact O-N 3.5Å; L491-V495 VanDerWaalsContact O-N 3.09Å |
| 492 | M | 90.6 | Very high | 92 | Very high | 28 Ų | 28 | 61.2 Ų | 61.2 | 14% | 0.138 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.4 | -42 | 176.3 | -80 | -56.3 | -49.2 | 0 | 0 | 112.1 | L363 V366 L370 I488 G489 A494 V495 V496 | L363-M492 HydrophobicContact CD1-CE 3.88Å; V366-M492 HydrophobicContact CG1-CE 4.49Å; L370-M492 HydrophobicContact CD2-CG 3.69Å; I488-M492 HydrophobicContact CG2-CG 4.42Å; I488-M492 WeakPolarHBondContact O-CB 3.49Å; I488-M492 WeakPolarHBondContact O-CG 3.46Å; I488-M492 PolarHBondContact O-N 3.33Å; G489-M492 PolarHBondContact O-N 3.24Å; M492-A494 PolarHBondContact O-N 2.92Å; M492-V495 PolarHBondContact O-N 3.29Å; M492-V496 HydrophobicContact CE-CG2 4.49Å; M492-V496 VanDerWaalsContact O-CG2 3.31Å; M492-V496 WeakPolarHBondContact O-CG2 3.47Å; M492-V496 PolarHBondContact O-N 3.17Å |
| 493 | H | 89.6 | Confident | 91.6 | Very high | 45 Ų | 45 | 62.2 Ų | 62.2 | 21% | 0.208 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 175.6 | -99.4 | -86.4 | 0 | 0 | 0 | 112.4 | L463 T464 G489 A490 V495 V496 F497 | L463-H493 PolarHBondContact O-CD2 3.42Å; L463-H493 PolarHBondContact O-NE2 3.32Å; T464-H493 WeakPolarHBondContact CA-NE2 3.28Å; G489-H493 PolarHBondContact O-N 2.91Å; A490-H493 PolarHBondContact O-N 2.95Å; H493-V495 VanDerWaalsContact C-N 3.34Å; H493-V495 PolarHBondContact O-N 2.85Å; H493-V496 PolarHBondContact O-N 2.74Å; H493-F497 HydrophobicContact CB-CD2 4.4Å; H493-F497 HydrophobicContact CB-CE2 4.47Å; H493-F497 AromaticContact ND1-CD2 3.89Å; H493-F497 AromaticContact ND1-CE2 3.26Å; H493-F497 VanDerWaalsContact ND1-CE2 3.26Å; H493-F497 WeakPolarHBondContact ND1-CE2 3.31Å; H493-F497 AromaticContact ND1-CZ 3.93Å; H493-F497 WeakPolarHBondContact O-CB 3.45Å; H493-F497 VanDerWaalsContact O-CD2 3.31Å; H493-F497 WeakPolarHBondContact O-CD2 3.49Å; H493-F497 PolarHBondContact O-N 2.71Å |
| 494 | A | 92.4 | Very high | 91.2 | Very high | 65 Ų | 65 | 61.1 Ų | 61.1 | 54% | 0.537 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | A490 L491 M492 G498 | A490-A494 PolarHBondContact O-N 2.76Å; L491-A494 PolarHBondContact O-N 3.38Å; M492-A494 PolarHBondContact O-N 2.92Å; A494-G498 PolarHBondContact O-N 2.82Å |
| 495 | V | 90.6 | Very high | 90.8 | Very high | 61 Ų | 61 | 64.2 Ų | 64.2 | 37% | 0.37 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.7 | -39.5 | 176.4 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | L363 L491 M492 H493 N499 | L363-V495 HydrophobicContact CD1-CG1 4.09Å; L363-V495 HydrophobicContact CD2-CG1 4.21Å; L491-V495 WeakPolarHBondContact O-CG2 3.31Å; L491-V495 PolarHBondContact O-N 3.5Å; L491-V495 VanDerWaalsContact O-N 3.09Å; M492-V495 PolarHBondContact O-N 3.29Å; H493-V495 VanDerWaalsContact C-N 3.34Å; H493-V495 PolarHBondContact O-N 2.85Å; V495-N499 WeakPolarHBondContact O-CB 3.47Å; V495-N499 PolarHBondContact O-N 3.29Å; V495-N499 PolarHBondContact O-ND2 3.23Å |
| 496 | V | 89.9 | Confident | 90.3 | Very high | 20 Ų | 20 | 71.5 Ų | 71.5 | 12% | 0.121 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.9 | -54.7 | 176.9 | 171 | 0 | 0 | 0 | 0 | 111.2 | L363 M492 H493 G498 N499 V500 | L363-V496 HydrophobicContact CD2-CB 4.35Å; L363-V496 HydrophobicContact CD2-CG2 3.83Å; L363-V496 HydrophobicContact CG-CG2 3.92Å; M492-V496 HydrophobicContact CE-CG2 4.49Å; M492-V496 VanDerWaalsContact O-CG2 3.31Å; M492-V496 WeakPolarHBondContact O-CG2 3.47Å; M492-V496 PolarHBondContact O-N 3.17Å; H493-V496 PolarHBondContact O-N 2.74Å; V496-G498 VanDerWaalsContact C-N 3.34Å; V496-G498 PolarHBondContact O-N 3.44Å; V496-N499 PolarHBondContact O-N 2.92Å; V496-V500 HydrophobicContact CG1-CG2 4.4Å; V496-V500 WeakPolarHBondContact O-CG2 3.48Å; V496-V500 PolarHBondContact O-N 3.21Å |
| 497 | F | 89.8 | Confident | 89.7 | Confident | 126 Ų | 126 | 72.3 Ų | 72.3 | 55% | 0.553 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.8 | -38.7 | -179.6 | -73.9 | -56.2 | 0 | 0 | 0 | 112 | H493 N499 V500 T501 | H493-F497 HydrophobicContact CB-CD2 4.4Å; H493-F497 HydrophobicContact CB-CE2 4.47Å; H493-F497 AromaticContact ND1-CD2 3.89Å; H493-F497 AromaticContact ND1-CE2 3.26Å; H493-F497 VanDerWaalsContact ND1-CE2 3.26Å; H493-F497 WeakPolarHBondContact ND1-CE2 3.31Å; H493-F497 AromaticContact ND1-CZ 3.93Å; H493-F497 WeakPolarHBondContact O-CB 3.45Å; H493-F497 VanDerWaalsContact O-CD2 3.31Å; H493-F497 WeakPolarHBondContact O-CD2 3.49Å; H493-F497 PolarHBondContact O-N 2.71Å; F497-N499 PolarHBondContact O-N 3Å; F497-V500 PolarHBondContact O-N 3.41Å; F497-T501 VanDerWaalsContact O-CB 3.31Å; F497-T501 WeakPolarHBondContact O-CB 3.5Å; F497-T501 PolarHBondContact O-N 3.02Å; F497-T501 PolarHBondContact O-OG1 2.94Å |
| 498 | G | 91.1 | Very high | 89.3 | Confident | 42 Ų | 42 | 72.2 Ų | 72.2 | 43% | 0.433 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A494 V496 T501 A502 | A494-G498 PolarHBondContact O-N 2.82Å; V496-G498 VanDerWaalsContact C-N 3.34Å; V496-G498 PolarHBondContact O-N 3.44Å; G498-T501 PolarHBondContact O-N 3.12Å; G498-A502 WeakPolarHBondContact O-CB 3.42Å; G498-A502 PolarHBondContact O-N 3.28Å |
| 499 | N | 87.8 | Confident | 89.1 | Confident | 53 Ų | 53 | 70.9 Ų | 70.9 | 28% | 0.283 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.1 | -45.8 | 175.6 | -82.7 | -81.8 | 0 | 0 | 0 | 112.1 | L363 V495 V496 F497 T501 A502 I503 | L363-N499 HydrophobicContact CD2-CB 4.04Å; V495-N499 WeakPolarHBondContact O-CB 3.47Å; V495-N499 PolarHBondContact O-N 3.29Å; V495-N499 PolarHBondContact O-ND2 3.23Å; V496-N499 PolarHBondContact O-N 2.92Å; F497-N499 PolarHBondContact O-N 3Å; N499-T501 VanDerWaalsContact C-N 3.27Å; N499-T501 PolarHBondContact O-N 3.21Å; N499-A502 PolarHBondContact O-N 3.03Å; N499-I503 WeakPolarHBondContact O-CG1 3.31Å; N499-I503 PolarHBondContact O-N 3.16Å |
| 500 | V | 88.3 | Confident | 88.7 | Confident | 44 Ų | 44 | 77.1 Ų | 77.1 | 27% | 0.267 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.1 | -43.1 | 176.5 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | L360 V496 F497 I503 I504 | L360-V500 HydrophobicContact CD1-CG2 3.67Å; V496-V500 HydrophobicContact CG1-CG2 4.4Å; V496-V500 WeakPolarHBondContact O-CG2 3.48Å; V496-V500 PolarHBondContact O-N 3.21Å; F497-V500 PolarHBondContact O-N 3.41Å; V500-I503 PolarHBondContact O-N 2.97Å; V500-I504 HydrophobicContact CG1-CD1 3.76Å; V500-I504 HydrophobicContact CG1-CG1 4.47Å; V500-I504 VanDerWaalsContact O-CG1 3.29Å; V500-I504 WeakPolarHBondContact O-CG1 3.45Å; V500-I504 PolarHBondContact O-N 3.07Å |
| 501 | T | 90.1 | Very high | 88.4 | Confident | 68 Ų | 68 | 81.9 Ų | 81.9 | 42% | 0.417 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 177.4 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | F497 G498 N499 I503 I504 Q505 | F497-T501 VanDerWaalsContact O-CB 3.31Å; F497-T501 WeakPolarHBondContact O-CB 3.5Å; F497-T501 PolarHBondContact O-N 3.02Å; F497-T501 PolarHBondContact O-OG1 2.94Å; G498-T501 PolarHBondContact O-N 3.12Å; N499-T501 VanDerWaalsContact C-N 3.27Å; N499-T501 PolarHBondContact O-N 3.21Å; T501-I503 VanDerWaalsContact C-N 3.29Å; T501-I503 PolarHBondContact O-N 3.42Å; T501-I504 PolarHBondContact O-N 3.38Å; T501-Q505 WeakPolarHBondContact O-CB 3.34Å; T501-Q505 VanDerWaalsContact O-CG 3.32Å; T501-Q505 WeakPolarHBondContact O-CG 3.5Å; T501-Q505 PolarHBondContact O-N 3.12Å |
| 502 | A | 88.1 | Confident | 88.3 | Confident | 50 Ų | 50 | 83.3 Ų | 83.3 | 41% | 0.413 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.1 | -34.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G498 N499 R506 | G498-A502 WeakPolarHBondContact O-CB 3.42Å; G498-A502 PolarHBondContact O-N 3.28Å; N499-A502 PolarHBondContact O-N 3.03Å; A502-R506 VanDerWaalsContact O-CB 3.29Å; A502-R506 WeakPolarHBondContact O-CB 3.49Å; A502-R506 PolarHBondContact O-N 2.86Å |
| 503 | I | 86.3 | Confident | 88.3 | Confident | 33 Ų | 33 | 85.9 Ų | 85.9 | 17% | 0.169 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.2 | -44.5 | 175.5 | -65.8 | 169.2 | 0 | 0 | 0 | 110.7 | S356 L360 N499 V500 T501 R506 M507 | S356-I503 WeakPolarHBondContact O-CD1 3.38Å; L360-I503 HydrophobicContact CB-CD1 3.87Å; L360-I503 HydrophobicContact CD2-CD1 4.46Å; N499-I503 WeakPolarHBondContact O-CG1 3.31Å; N499-I503 PolarHBondContact O-N 3.16Å; V500-I503 PolarHBondContact O-N 2.97Å; T501-I503 VanDerWaalsContact C-N 3.29Å; T501-I503 PolarHBondContact O-N 3.42Å; I503-R506 PolarHBondContact O-N 3.36Å; I503-M507 WeakPolarHBondContact O-CB 3.29Å; I503-M507 PolarHBondContact O-N 3.34Å |
| 504 | I | 86.5 | Confident | 88.3 | Confident | 83 Ų | 83 | 86.3 Ų | 86.3 | 43% | 0.426 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 175.3 | -71.5 | 168.7 | 0 | 0 | 0 | 110.1 | V500 T501 R506 M507 Y508 | V500-I504 HydrophobicContact CG1-CD1 3.76Å; V500-I504 HydrophobicContact CG1-CG1 4.47Å; V500-I504 VanDerWaalsContact O-CG1 3.29Å; V500-I504 WeakPolarHBondContact O-CG1 3.45Å; V500-I504 PolarHBondContact O-N 3.07Å; T501-I504 PolarHBondContact O-N 3.38Å; I504-R506 PolarHBondContact O-N 3.09Å; I504-M507 PolarHBondContact O-N 2.91Å; I504-Y508 HydrophobicContact CG2-CD2 3.79Å; I504-Y508 HydrophobicContact CG2-CE2 4.03Å; I504-Y508 WeakPolarHBondContact O-CD2 3.29Å; I504-Y508 PolarHBondContact O-N 3.23Å |
| 505 | Q | 87.1 | Confident | 88.2 | Confident | 131 Ų | 131 | 87.4 Ų | 87.4 | 61% | 0.612 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -56.2 | -47.6 | 175.5 | -72.9 | 172.1 | -10.9 | 0 | 0 | 111.8 | T501 M507 Y508 A509 | T501-Q505 WeakPolarHBondContact O-CB 3.34Å; T501-Q505 VanDerWaalsContact O-CG 3.32Å; T501-Q505 WeakPolarHBondContact O-CG 3.5Å; T501-Q505 PolarHBondContact O-N 3.12Å; Q505-M507 PolarHBondContact O-N 3.12Å; Q505-Y508 PolarHBondContact O-N 3.48Å; Q505-A509 WeakPolarHBondContact O-CB 3.3Å; Q505-A509 PolarHBondContact O-N 3.18Å |
| 506 | R | 84.8 | Confident | 88.3 | Confident | 156 Ų | 156 | 85.8 Ų | 85.8 | 59% | 0.589 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.7 | -38 | 178.1 | -170.4 | -178.5 | -173.9 | -165.4 | 2.8 | 112.7 | Q354 S356 A502 I503 I504 A509 | Q354-R506 PolarHBondContact O-NH1 2.81Å; S356-R506 PolarHBondContact OG-NH1 3.05Å; A502-R506 VanDerWaalsContact O-CB 3.29Å; A502-R506 WeakPolarHBondContact O-CB 3.49Å; A502-R506 PolarHBondContact O-N 2.86Å; I503-R506 PolarHBondContact O-N 3.36Å; I504-R506 PolarHBondContact O-N 3.09Å; R506-A509 WeakPolarHBondContact O-CB 3.29Å |
| 507 | M | 82 | Confident | 88.4 | Confident | 123 Ų | 123 | 92.1 Ų | 92.1 | 61% | 0.606 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -68.8 | -44.9 | 179 | -174.7 | 177.9 | 74 | 0 | 0 | 111.6 | I503 I504 Q505 | I503-M507 WeakPolarHBondContact O-CB 3.29Å; I503-M507 PolarHBondContact O-N 3.34Å; I504-M507 PolarHBondContact O-N 2.91Å; Q505-M507 PolarHBondContact O-N 3.12Å |
| 508 | Y | 87.4 | Confident | 88.5 | Confident | 126 Ų | 126 | 86.3 Ų | 86.3 | 49% | 0.494 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -80.6 | -11.7 | 179.7 | -73.7 | -70.7 | 0 | 0 | 0 | 114.1 | I504 Q505 R510 R511 F512 | I504-Y508 HydrophobicContact CG2-CD2 3.79Å; I504-Y508 HydrophobicContact CG2-CE2 4.03Å; I504-Y508 WeakPolarHBondContact O-CD2 3.29Å; I504-Y508 PolarHBondContact O-N 3.23Å; Q505-Y508 PolarHBondContact O-N 3.48Å; Y508-R510 VanDerWaalsContact C-N 3.33Å; Y508-R510 PolarHBondContact O-N 2.95Å; Y508-R510 VanDerWaalsContact O-N 3.13Å; Y508-R511 CarbonylContact O-C 3.58Å; Y508-R511 WeakPolarHBondContact O-CA 3.48Å; Y508-R511 PolarHBondContact O-N 3.45Å; Y508-F512 PolarHBondContact O-N 2.89Å |
| 509 | A | 88.7 | Confident | 88.7 | Confident | 49 Ų | 49 | 90.8 Ų | 90.8 | 41% | 0.405 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -47.3 | -44.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q505 R506 F512 L513 | Q505-A509 WeakPolarHBondContact O-CB 3.3Å; Q505-A509 PolarHBondContact O-N 3.18Å; R506-A509 WeakPolarHBondContact O-CB 3.29Å; A509-F512 PolarHBondContact O-N 3.5Å; A509-L513 WeakPolarHBondContact O-CB 3.48Å; A509-L513 PolarHBondContact O-N 3.01Å |
| 510 | R | 85.9 | Confident | 89.1 | Confident | 133 Ų | 133 | 91 Ų | 91 | 50% | 0.502 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 177.6 | -176.4 | 175.5 | -73.1 | -177.6 | -1.9 | 112.5 | Y508 L513 Y514 W546 N550 | Y508-R510 VanDerWaalsContact C-N 3.33Å; Y508-R510 PolarHBondContact O-N 2.95Å; Y508-R510 VanDerWaalsContact O-N 3.13Å; R510-L513 PolarHBondContact O-N 2.7Å; R510-Y514 PolarHBondContact O-N 3.26Å; R510-W546 HydrophobicContact CG-CZ2 3.98Å; R510-N550 PolarHBondContact NH1-OD1 3.42Å; R510-N550 VanDerWaalsContact NH1-OD1 3.09Å |
| 511 | R | 87.4 | Confident | 89.4 | Confident | 164 Ų | 164 | 90.3 Ų | 90.3 | 62% | 0.619 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -70.6 | -35 | 176.9 | -173.9 | 169 | -176.8 | 141.9 | -0.6 | 111.6 | Y508 H515 | Y508-R511 CarbonylContact O-C 3.58Å; Y508-R511 WeakPolarHBondContact O-CA 3.48Å; Y508-R511 PolarHBondContact O-N 3.45Å; R511-H515 PolarHBondContact NE-NE2 3.38Å; R511-H515 PolarHBondContact O-CD2 2.86Å; R511-H515 PolarHBondContact O-N 3.45Å |
| 512 | F | 89.8 | Confident | 89.6 | Confident | 149 Ų | 149 | 93.6 Ų | 93.6 | 65% | 0.654 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.4 | -45.9 | 170.7 | 177 | -96.7 | 0 | 0 | 0 | 111.4 | Y508 A509 Y514 H515 S516 | Y508-F512 PolarHBondContact O-N 2.89Å; A509-F512 PolarHBondContact O-N 3.5Å; F512-Y514 PolarHBondContact O-N 2.92Å; F512-H515 PolarHBondContact O-N 3.27Å; F512-S516 WeakPolarHBondContact O-CB 3.47Å; F512-S516 PolarHBondContact O-N 2.94Å |
| 513 | L | 90.1 | Very high | 90 | Very high | 82 Ų | 82 | 93.4 Ų | 93.4 | 43% | 0.429 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 178.4 | -158 | 154.4 | 0 | 0 | 0 | 111.6 | A509 R510 S516 R517 W546 | A509-L513 WeakPolarHBondContact O-CB 3.48Å; A509-L513 PolarHBondContact O-N 3.01Å; R510-L513 PolarHBondContact O-N 2.7Å; L513-S516 PolarHBondContact O-N 2.89Å; L513-R517 HydrophobicContact CD2-CG 3.81Å; L513-R517 WeakPolarHBondContact O-CB 3.46Å; L513-R517 WeakPolarHBondContact O-CG 3.29Å; L513-R517 PolarHBondContact O-N 3.41Å; L513-W546 HydrophobicContact CB-CH2 4.22Å; L513-W546 HydrophobicContact CD2-CH2 3.6Å; L513-W546 HydrophobicContact CD2-CZ3 3.69Å; L513-W546 HydrophobicContact CG-CH2 4.49Å |
| 514 | Y | 90.2 | Very high | 90.4 | Very high | 55 Ų | 55 | 97.8 Ų | 97.8 | 22% | 0.216 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -55.4 | -54.3 | 170.5 | 176.2 | -114.2 | 0 | 0 | 0 | 111.8 | R510 F512 S516 R517 T518 F542 W546 | R510-Y514 PolarHBondContact O-N 3.26Å; F512-Y514 PolarHBondContact O-N 2.92Å; Y514-S516 PolarHBondContact O-N 3.22Å; Y514-R517 PolarHBondContact O-N 3.05Å; Y514-T518 VanDerWaalsContact O-CB 3.25Å; Y514-T518 WeakPolarHBondContact O-CB 3.38Å; Y514-T518 PolarHBondContact O-N 3.06Å; Y514-T518 PolarHBondContact O-OG1 3.38Å; Y514-F542 AromaticContact CD2-CE1 3.85Å; Y514-F542 HydrophobicContact CD2-CE1 3.85Å; Y514-F542 HydrophobicContact CE2-CD1 4.27Å; Y514-F542 AromaticContact CE2-CE1 3.74Å; Y514-F542 HydrophobicContact CE2-CE1 3.74Å; Y514-W546 HydrophobicContact CD2-CB 4.44Å; Y514-W546 AromaticContact CD2-CD1 3.77Å; Y514-W546 AromaticContact CD2-CD2 3.57Å; Y514-W546 HydrophobicContact CD2-CD2 3.57Å; Y514-W546 AromaticContact CD2-CE2 3.72Å; Y514-W546 HydrophobicContact CD2-CE3 4.08Å; Y514-W546 AromaticContact CD2-CG 3.67Å; Y514-W546 HydrophobicContact CD2-CG 3.67Å; Y514-W546 HydrophobicContact CD2-CZ2 4.37Å; Y514-W546 AromaticContact CD2-NE1 3.8Å; Y514-W546 HydrophobicContact CE2-CB 4.43Å; Y514-W546 HydrophobicContact CE2-CD2 4.4Å; Y514-W546 HydrophobicContact CE2-CG 4.06Å; Y514-W546 HydrophobicContact CG-CD2 4.38Å; Y514-W546 HydrophobicContact CG-CZ2 4.4Å |
| 515 | H | 91.4 | Very high | 90.8 | Very high | 88 Ų | 88 | 94.2 Ų | 94.2 | 41% | 0.407 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.4 | -34.7 | -177.1 | -72.4 | -51.3 | 0 | 0 | 0 | 113.2 | R511 F512 R519 | R511-H515 PolarHBondContact NE-NE2 3.38Å; R511-H515 PolarHBondContact O-CD2 2.86Å; R511-H515 PolarHBondContact O-N 3.45Å; F512-H515 PolarHBondContact O-N 3.27Å; H515-R519 VanDerWaalsContact O-CB 3.31Å; H515-R519 WeakPolarHBondContact O-CB 3.5Å; H515-R519 PolarHBondContact O-N 3.28Å |
| 516 | S | 92.8 | Very high | 91.2 | Very high | 27 Ų | 27 | 95.9 Ų | 95.9 | 19% | 0.189 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.6 | -60.4 | 172.3 | -169.3 | 0 | 0 | 0 | 0 | 109.8 | F512 L513 Y514 T518 R519 D520 | F512-S516 WeakPolarHBondContact O-CB 3.47Å; F512-S516 PolarHBondContact O-N 2.94Å; L513-S516 PolarHBondContact O-N 2.89Å; Y514-S516 PolarHBondContact O-N 3.22Å; S516-T518 PolarHBondContact O-N 3.07Å; S516-T518 VanDerWaalsContact O-N 3.14Å; S516-R519 CarbonylContact O-C 3.59Å; S516-R519 WeakPolarHBondContact O-CA 3.17Å; S516-R519 WeakPolarHBondContact O-CB 3.37Å; S516-R519 PolarHBondContact O-N 2.86Å; S516-D520 PolarHBondContact O-N 3.28Å; S516-D520 PolarHBondContact OG-OD2 3Å |
| 517 | R | 91.3 | Very high | 91.8 | Very high | 153 Ų | 153 | 94.5 Ų | 94.5 | 58% | 0.577 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -56.6 | -36.4 | -179.4 | -68.3 | -61.2 | -160.3 | -178.4 | 7 | 112.5 | L513 Y514 L521 F542 | L513-R517 HydrophobicContact CD2-CG 3.81Å; L513-R517 WeakPolarHBondContact O-CB 3.46Å; L513-R517 WeakPolarHBondContact O-CG 3.29Å; L513-R517 PolarHBondContact O-N 3.41Å; Y514-R517 PolarHBondContact O-N 3.05Å; R517-L521 VanDerWaalsContact O-CB 3.25Å; R517-L521 WeakPolarHBondContact O-CB 3.32Å; R517-L521 PolarHBondContact O-N 3.38Å; R517-F542 HydrophobicContact CB-CE2 4.08Å; R517-F542 HydrophobicContact CB-CZ 3.61Å |
| 518 | T | 92.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 93.6 Ų | 93.6 | 2% | 0.018 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 174 | -54.8 | 0 | 0 | 0 | 0 | 112.4 | Y514 S516 R522 F542 | Y514-T518 VanDerWaalsContact O-CB 3.25Å; Y514-T518 WeakPolarHBondContact O-CB 3.38Å; Y514-T518 PolarHBondContact O-N 3.06Å; Y514-T518 PolarHBondContact O-OG1 3.38Å; S516-T518 PolarHBondContact O-N 3.07Å; S516-T518 VanDerWaalsContact O-N 3.14Å; T518-R522 VanDerWaalsContact O-CG 3.24Å; T518-R522 WeakPolarHBondContact O-CG 3.39Å; T518-R522 PolarHBondContact O-N 3.49Å; T518-F542 WeakPolarHBondContact OG1-CE1 3.35Å |
| 519 | R | 94.7 | Very high | 92.9 | Very high | 136 Ų | 136 | 98.3 Ų | 98.3 | 51% | 0.513 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64 | -50.7 | 173.7 | 177.8 | -160.8 | 64.3 | 179.3 | -2.6 | 110.2 | H515 S516 L521 R522 D523 | H515-R519 VanDerWaalsContact O-CB 3.31Å; H515-R519 WeakPolarHBondContact O-CB 3.5Å; H515-R519 PolarHBondContact O-N 3.28Å; S516-R519 CarbonylContact O-C 3.59Å; S516-R519 WeakPolarHBondContact O-CA 3.17Å; S516-R519 WeakPolarHBondContact O-CB 3.37Å; S516-R519 PolarHBondContact O-N 2.86Å; R519-L521 PolarHBondContact O-N 2.99Å; R519-R522 CarbonylContact O-C 3.55Å; R519-R522 WeakPolarHBondContact O-CA 3.28Å; R519-R522 WeakPolarHBondContact O-CB 3.25Å; R519-R522 PolarHBondContact O-N 3.45Å; R519-D523 WeakPolarHBondContact CG-OD2 3.27Å; R519-D523 WeakPolarHBondContact O-CB 3.31Å; R519-D523 VanDerWaalsContact O-CG 3.32Å; R519-D523 PolarHBondContact O-N 3.35Å |
| 520 | D | 95.4 | Very high | 93.2 | Very high | 57 Ų | 57 | 97.8 Ų | 97.8 | 31% | 0.305 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.2 | -39.5 | -177.9 | -47.7 | -28.2 | 0 | 0 | 0 | 110.2 | S516 D523 Y524 | S516-D520 PolarHBondContact O-N 3.28Å; S516-D520 PolarHBondContact OG-OD2 3Å; D520-D523 PolarHBondContact O-N 3.26Å; D520-Y524 WeakPolarHBondContact O-CB 3.46Å; D520-Y524 PolarHBondContact O-N 3.22Å |
| 521 | L | 95.1 | Very high | 93.7 | Very high | 31 Ų | 31 | 95.2 Ų | 95.2 | 16% | 0.162 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65 | -44 | 171.1 | 177.6 | 60.7 | 0 | 0 | 0 | 113.7 | R517 R519 D523 I525 M538 L539 F542 | R517-L521 VanDerWaalsContact O-CB 3.25Å; R517-L521 WeakPolarHBondContact O-CB 3.32Å; R517-L521 PolarHBondContact O-N 3.38Å; R519-L521 PolarHBondContact O-N 2.99Å; L521-D523 VanDerWaalsContact C-N 3.31Å; L521-D523 PolarHBondContact O-N 2.68Å; L521-I525 HydrophobicContact CD1-CD1 4.09Å; L521-I525 HydrophobicContact CG-CD1 4.09Å; L521-I525 WeakPolarHBondContact O-CB 3.49Å; L521-I525 WeakPolarHBondContact O-CD1 3.37Å; L521-I525 VanDerWaalsContact O-CG1 3.28Å; L521-I525 WeakPolarHBondContact O-CG1 3.38Å; L521-I525 PolarHBondContact O-N 3.04Å; L521-M538 HydrophobicContact CD1-CE 3.92Å; L521-L539 HydrophobicContact CD2-CD2 4.03Å; L521-L539 HydrophobicContact CG-CD2 4.36Å; L521-F542 HydrophobicContact CD2-CB 3.63Å; L521-F542 HydrophobicContact CD2-CD1 4.29Å; L521-F542 HydrophobicContact CD2-CD2 4.21Å; L521-F542 HydrophobicContact CD2-CG 3.77Å |
| 522 | R | 94.3 | Very high | 93.8 | Very high | 137 Ų | 137 | 96 Ų | 96 | 52% | 0.517 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 175.2 | -72.5 | 170.1 | -165.5 | 176.1 | 6 | 112 | T518 R519 I525 R526 L539 | T518-R522 VanDerWaalsContact O-CG 3.24Å; T518-R522 WeakPolarHBondContact O-CG 3.39Å; T518-R522 PolarHBondContact O-N 3.49Å; R519-R522 CarbonylContact O-C 3.55Å; R519-R522 WeakPolarHBondContact O-CA 3.28Å; R519-R522 WeakPolarHBondContact O-CB 3.25Å; R519-R522 PolarHBondContact O-N 3.45Å; R522-I525 WeakPolarHBondContact O-CB 3.47Å; R522-I525 PolarHBondContact O-N 3.29Å; R522-R526 PolarHBondContact O-N 3.36Å; R522-L539 HydrophobicContact CG-CD2 4.26Å |
| 523 | D | 96 | Very high | 93.6 | Very high | 46 Ų | 46 | 93.6 Ų | 93.6 | 25% | 0.246 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -73.8 | -40.8 | -178.6 | -67.1 | -20.9 | 0 | 0 | 0 | 110.3 | R519 D520 L521 I525 R526 I527 | R519-D523 WeakPolarHBondContact CG-OD2 3.27Å; R519-D523 WeakPolarHBondContact O-CB 3.31Å; R519-D523 VanDerWaalsContact O-CG 3.32Å; R519-D523 PolarHBondContact O-N 3.35Å; D520-D523 PolarHBondContact O-N 3.26Å; L521-D523 VanDerWaalsContact C-N 3.31Å; L521-D523 PolarHBondContact O-N 2.68Å; D523-I525 PolarHBondContact O-N 3.4Å; D523-R526 WeakPolarHBondContact O-CB 3.38Å; D523-R526 PolarHBondContact O-N 2.92Å; D523-R526 VanDerWaalsContact O-N 3.13Å; D523-R526 IonicContact OD1-CZ 3.78Å; D523-R526 VanDerWaalsContact OD1-CZ 3.27Å; D523-R526 IonicContact OD1-NH1 2.63Å; D523-R526 PolarHBondContact OD1-NH1 3.03Å; D523-R526 IonicContact OD1-NH2 2.68Å; D523-R526 PolarHBondContact OD1-NH2 3.46Å; D523-I527 WeakPolarHBondContact O-CB 3.24Å; D523-I527 WeakPolarHBondContact O-CD1 3.3Å; D523-I527 VanDerWaalsContact O-CG1 3.24Å; D523-I527 WeakPolarHBondContact O-CG1 3.12Å; D523-I527 PolarHBondContact O-N 3.31Å |
| 524 | Y | 96.1 | Very high | 93.5 | Very high | 124 Ų | 124 | 93.1 Ų | 93.1 | 49% | 0.486 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -55.1 | -48.7 | 167 | -177.1 | -90.9 | 0 | 0 | 0 | 112 | D520 R526 I527 H528 M538 | D520-Y524 WeakPolarHBondContact O-CB 3.46Å; D520-Y524 PolarHBondContact O-N 3.22Å; Y524-R526 VanDerWaalsContact C-N 3.27Å; Y524-R526 PolarHBondContact O-N 3.2Å; Y524-I527 PolarHBondContact O-N 3.12Å; Y524-H528 AromaticContact CD2-CD2 3.57Å; Y524-H528 AromaticContact CD2-NE2 3.74Å; Y524-H528 AromaticContact CE1-CD2 3.89Å; Y524-H528 AromaticContact CE2-CD2 3.39Å; Y524-H528 WeakPolarHBondContact CE2-CD2 3.49Å; Y524-H528 AromaticContact CE2-NE2 3.33Å; Y524-H528 VanDerWaalsContact CE2-NE2 3.33Å; Y524-H528 WeakPolarHBondContact CE2-NE2 3.47Å; Y524-H528 AromaticContact CG-CD2 3.9Å; Y524-H528 AromaticContact CZ-CD2 3.56Å; Y524-H528 AromaticContact CZ-NE2 3.81Å; Y524-H528 PolarHBondContact O-CD2 3.2Å; Y524-H528 PolarHBondContact O-N 3.42Å; Y524-M538 HydrophobicContact CD1-CE 4.28Å; Y524-M538 HydrophobicContact CE1-CE 4.33Å |
| 525 | I | 95.5 | Very high | 93.4 | Very high | 9 Ų | 9 | 95.1 Ų | 95.1 | 5% | 0.046 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -57.5 | -37.6 | 175.5 | -79.4 | 167.4 | 0 | 0 | 0 | 112 | L521 R522 D523 R529 I530 K535 M538 L539 | L521-I525 HydrophobicContact CD1-CD1 4.09Å; L521-I525 HydrophobicContact CG-CD1 4.09Å; L521-I525 WeakPolarHBondContact O-CB 3.49Å; L521-I525 WeakPolarHBondContact O-CD1 3.37Å; L521-I525 VanDerWaalsContact O-CG1 3.28Å; L521-I525 WeakPolarHBondContact O-CG1 3.38Å; L521-I525 PolarHBondContact O-N 3.04Å; R522-I525 WeakPolarHBondContact O-CB 3.47Å; R522-I525 PolarHBondContact O-N 3.29Å; D523-I525 PolarHBondContact O-N 3.4Å; I525-R529 PolarHBondContact O-N 3.06Å; I525-I530 HydrophobicContact CG1-CB 4.43Å; I525-I530 HydrophobicContact CG1-CG1 4.35Å; I525-I530 HydrophobicContact CG2-CB 4.25Å; I525-I530 PolarHBondContact O-N 3.21Å; I525-K535 HydrophobicContact CD1-CG 4.34Å; I525-K535 HydrophobicContact CG2-CB 3.95Å; I525-K535 HydrophobicContact CG2-CD 3.78Å; I525-K535 HydrophobicContact CG2-CG 3.76Å; I525-M538 HydrophobicContact CD1-CB 4.1Å; I525-M538 HydrophobicContact CD1-CE 4.24Å; I525-M538 HydrophobicContact CD1-SD 4.28Å; I525-M538 HydrophobicContact CG1-CE 3.96Å; I525-M538 HydrophobicContact CG1-SD 4.11Å; I525-L539 HydrophobicContact CD1-CD2 4.49Å; I525-L539 HydrophobicContact CD1-CG 4.3Å |
| 526 | R | 95.3 | Very high | 93.3 | Very high | 165 Ų | 165 | 96.4 Ų | 96.4 | 62% | 0.623 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -71.3 | -46.9 | 176.6 | -164.6 | -169 | -57.6 | 101.3 | 4.8 | 111.7 | R522 D523 Y524 R529 | R522-R526 PolarHBondContact O-N 3.36Å; D523-R526 WeakPolarHBondContact O-CB 3.38Å; D523-R526 PolarHBondContact O-N 2.92Å; D523-R526 VanDerWaalsContact O-N 3.13Å; D523-R526 IonicContact OD1-CZ 3.78Å; D523-R526 VanDerWaalsContact OD1-CZ 3.27Å; D523-R526 IonicContact OD1-NH1 2.63Å; D523-R526 PolarHBondContact OD1-NH1 3.03Å; D523-R526 IonicContact OD1-NH2 2.68Å; D523-R526 PolarHBondContact OD1-NH2 3.46Å; Y524-R526 VanDerWaalsContact C-N 3.27Å; Y524-R526 PolarHBondContact O-N 3.2Å; R526-R529 PolarHBondContact O-N 3.13Å |
| 527 | I | 96.9 | Very high | 92.9 | Very high | 127 Ų | 127 | 100.4 Ų | 100.4 | 65% | 0.651 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.7 | -50 | -178.7 | -71 | 162.2 | 0 | 0 | 0 | 110.5 | D523 Y524 R529 | D523-I527 WeakPolarHBondContact O-CB 3.24Å; D523-I527 WeakPolarHBondContact O-CD1 3.3Å; D523-I527 VanDerWaalsContact O-CG1 3.24Å; D523-I527 WeakPolarHBondContact O-CG1 3.12Å; D523-I527 PolarHBondContact O-N 3.31Å; Y524-I527 PolarHBondContact O-N 3.12Å; I527-R529 PolarHBondContact O-N 3.08Å |
| 528 | H | 96.7 | Very high | 92.8 | Very high | 104 Ų | 104 | 95.4 Ų | 95.4 | 48% | 0.481 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 8.3 | -179.2 | -65.7 | -77.9 | 0 | 0 | 0 | 114.1 | Y524 I530 | Y524-H528 AromaticContact CD2-CD2 3.57Å; Y524-H528 AromaticContact CD2-NE2 3.74Å; Y524-H528 AromaticContact CE1-CD2 3.89Å; Y524-H528 AromaticContact CE2-CD2 3.39Å; Y524-H528 WeakPolarHBondContact CE2-CD2 3.49Å; Y524-H528 AromaticContact CE2-NE2 3.33Å; Y524-H528 VanDerWaalsContact CE2-NE2 3.33Å; Y524-H528 WeakPolarHBondContact CE2-NE2 3.47Å; Y524-H528 AromaticContact CG-CD2 3.9Å; Y524-H528 AromaticContact CZ-CD2 3.56Å; Y524-H528 AromaticContact CZ-NE2 3.81Å; Y524-H528 PolarHBondContact O-CD2 3.2Å; Y524-H528 PolarHBondContact O-N 3.42Å; H528-I530 HydrophobicContact CB-CD1 3.79Å; H528-I530 HydrophobicContact CB-CG1 4.03Å; H528-I530 PolarHBondContact O-N 2.96Å; H528-I530 VanDerWaalsContact O-N 3.15Å |
| 529 | R | 95.6 | Very high | 92.6 | Very high | 226 Ų | 226 | 96.7 Ų | 96.7 | 85% | 0.853 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 40.6 | 179 | -60.5 | -174.7 | 176.1 | -168.1 | -1.2 | 113.7 | I525 R526 I527 | I525-R529 PolarHBondContact O-N 3.06Å; R526-R529 PolarHBondContact O-N 3.13Å; I527-R529 PolarHBondContact O-N 3.08Å |
| 530 | I | 95.5 | Very high | 92.2 | Very high | 38 Ų | 38 | 92.4 Ų | 92.4 | 20% | 0.195 | 42% | 0.422 | C | S | . | . | trans | -60.9 | 130.5 | -173.2 | -60.1 | -60 | 0 | 0 | 0 | 110.6 | I525 H528 L534 K535 M538 | I525-I530 HydrophobicContact CG1-CB 4.43Å; I525-I530 HydrophobicContact CG1-CG1 4.35Å; I525-I530 HydrophobicContact CG2-CB 4.25Å; I525-I530 PolarHBondContact O-N 3.21Å; H528-I530 HydrophobicContact CB-CD1 3.79Å; H528-I530 HydrophobicContact CB-CG1 4.03Å; H528-I530 PolarHBondContact O-N 2.96Å; H528-I530 VanDerWaalsContact O-N 3.15Å; I530-L534 HydrophobicContact CG2-CB 3.88Å; I530-L534 HydrophobicContact CG2-CD2 4.02Å; I530-L534 HydrophobicContact CG2-CG 3.82Å; I530-K535 HydrophobicContact CG2-CB 4.31Å; I530-M538 HydrophobicContact CG2-SD 3.96Å | ||
| 531 | P | 94.8 | Very high | 91.6 | Very high | 79 Ų | 79 | 95.7 Ų | 95.7 | 51% | 0.513 | 43% | 0.431 | S | S | . | . | trans | -64.6 | 147.8 | -175.4 | 25.4 | -34.6 | 0 | 0 | 0 | 112.3 | L534 K535 | P531-L534 HydrophobicContact CG-CB 4.15Å; P531-L534 PolarHBondContact O-N 2.95Å; P531-K535 PolarHBondContact O-N 3.25Å | ||
| 532 | K | 89.4 | Confident | 91.2 | Very high | 181 Ų | 181 | 96.2 Ų | 96.2 | 79% | 0.787 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -41.9 | -51.6 | -175.3 | -69.3 | -175.3 | 179.2 | -178.5 | 0 | 115.2 | K535 Q536 | K532-K535 WeakPolarHBondContact O-CB 3.34Å; K532-K535 PolarHBondContact O-N 3.02Å; K532-Q536 PolarHBondContact O-N 3.17Å |
| 533 | P | 86.9 | Confident | 90.9 | Very high | 97 Ų | 97 | 94.2 Ų | 94.2 | 63% | 0.63 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.7 | -41 | -179.7 | 23.8 | -34.6 | 0 | 0 | 0 | 113.3 | Q536 R537 | P533-Q536 PolarHBondContact O-N 2.73Å; P533-R537 PolarHBondContact O-N 2.64Å |
| 534 | L | 87.1 | Confident | 90 | Very high | 73 Ų | 73 | 93.2 Ų | 93.2 | 38% | 0.382 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.9 | -38.1 | 177.8 | -176.3 | 56.4 | 0 | 0 | 0 | 111.3 | I530 P531 Q536 R537 M538 | I530-L534 HydrophobicContact CG2-CB 3.88Å; I530-L534 HydrophobicContact CG2-CD2 4.02Å; I530-L534 HydrophobicContact CG2-CG 3.82Å; P531-L534 HydrophobicContact CG-CB 4.15Å; P531-L534 PolarHBondContact O-N 2.95Å; L534-Q536 VanDerWaalsContact C-N 3.3Å; L534-Q536 PolarHBondContact O-N 3.1Å; L534-R537 PolarHBondContact O-N 3.35Å; L534-M538 HydrophobicContact CD1-CG 4.33Å; L534-M538 HydrophobicContact CG-CG 4.47Å; L534-M538 HydrophobicContact CG-SD 4.15Å; L534-M538 WeakPolarHBondContact O-CB 3.41Å; L534-M538 VanDerWaalsContact O-CG 3.24Å; L534-M538 WeakPolarHBondContact O-CG 3.45Å; L534-M538 PolarHBondContact O-N 2.98Å |
| 535 | K | 89.5 | Confident | 89.3 | Confident | 96 Ų | 96 | 89.3 Ų | 89.3 | 42% | 0.417 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -55.3 | -44.8 | 170.7 | 160.6 | 179.6 | 179.8 | -166.8 | 0 | 111.6 | I525 I530 P531 K532 L539 | I525-K535 HydrophobicContact CD1-CG 4.34Å; I525-K535 HydrophobicContact CG2-CB 3.95Å; I525-K535 HydrophobicContact CG2-CD 3.78Å; I525-K535 HydrophobicContact CG2-CG 3.76Å; I530-K535 HydrophobicContact CG2-CB 4.31Å; P531-K535 PolarHBondContact O-N 3.25Å; K532-K535 WeakPolarHBondContact O-CB 3.34Å; K532-K535 PolarHBondContact O-N 3.02Å; K535-L539 HydrophobicContact CG-CD1 4.04Å; K535-L539 VanDerWaalsContact O-CG 3.32Å; K535-L539 WeakPolarHBondContact O-CG 3.19Å; K535-L539 PolarHBondContact O-N 2.87Å |
| 536 | Q | 88.8 | Confident | 88.8 | Confident | 115 Ų | 115 | 91 Ų | 91 | 54% | 0.537 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.2 | -53 | 179.2 | 177.9 | 168 | -8.5 | 0 | 0 | 110.9 | K532 P533 L534 M538 L539 E540 | K532-Q536 PolarHBondContact O-N 3.17Å; P533-Q536 PolarHBondContact O-N 2.73Å; L534-Q536 VanDerWaalsContact C-N 3.3Å; L534-Q536 PolarHBondContact O-N 3.1Å; Q536-M538 VanDerWaalsContact C-N 3.3Å; Q536-M538 PolarHBondContact O-N 3.06Å; Q536-L539 PolarHBondContact O-N 3.19Å; Q536-E540 HydrophobicContact CG-CG 4.31Å; Q536-E540 WeakPolarHBondContact CG-OE1 3.49Å; Q536-E540 PolarHBondContact NE2-OE1 2.86Å; Q536-E540 WeakPolarHBondContact O-CG 3.44Å; Q536-E540 PolarHBondContact O-N 2.71Å |
| 537 | R | 83.7 | Confident | 88.2 | Confident | 111 Ų | 111 | 86.5 Ų | 86.5 | 42% | 0.419 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -53.9 | -42 | 176.2 | -174.7 | 179.1 | 174.5 | -158.9 | -2.4 | 112.9 | P533 L534 L539 Y541 E607 | P533-R537 PolarHBondContact O-N 2.64Å; L534-R537 PolarHBondContact O-N 3.35Å; R537-L539 PolarHBondContact O-N 3.21Å; R537-Y541 WeakPolarHBondContact O-CB 3.48Å; R537-Y541 PolarHBondContact O-N 3.21Å; R537-E607 IonicContact CZ-OE1 3.86Å; R537-E607 IonicContact CZ-OE2 2.94Å; R537-E607 IonicContact NE-OE1 3.25Å; R537-E607 PolarHBondContact NE-OE1 2.93Å; R537-E607 IonicContact NE-OE2 2.71Å; R537-E607 PolarHBondContact NE-OE2 3.16Å; R537-E607 IonicContact NH2-OE1 2.76Å; R537-E607 PolarHBondContact NH2-OE1 3.39Å; R537-E607 IonicContact NH2-OE2 3.95Å |
| 538 | M | 88.5 | Confident | 87.2 | Confident | 48 Ų | 48 | 85.3 Ų | 85.3 | 24% | 0.236 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64 | -38 | 176.2 | -73 | 173.4 | 75 | 0 | 0 | 113.1 | L521 Y524 I525 I530 L534 Q536 F542 | L521-M538 HydrophobicContact CD1-CE 3.92Å; Y524-M538 HydrophobicContact CD1-CE 4.28Å; Y524-M538 HydrophobicContact CE1-CE 4.33Å; I525-M538 HydrophobicContact CD1-CB 4.1Å; I525-M538 HydrophobicContact CD1-CE 4.24Å; I525-M538 HydrophobicContact CD1-SD 4.28Å; I525-M538 HydrophobicContact CG1-CE 3.96Å; I525-M538 HydrophobicContact CG1-SD 4.11Å; I530-M538 HydrophobicContact CG2-SD 3.96Å; L534-M538 HydrophobicContact CD1-CG 4.33Å; L534-M538 HydrophobicContact CG-CG 4.47Å; L534-M538 HydrophobicContact CG-SD 4.15Å; L534-M538 WeakPolarHBondContact O-CB 3.41Å; L534-M538 VanDerWaalsContact O-CG 3.24Å; L534-M538 WeakPolarHBondContact O-CG 3.45Å; L534-M538 PolarHBondContact O-N 2.98Å; Q536-M538 VanDerWaalsContact C-N 3.3Å; Q536-M538 PolarHBondContact O-N 3.06Å; M538-F542 WeakPolarHBondContact O-CB 3.48Å; M538-F542 PolarHBondContact O-N 3.36Å |
| 539 | L | 89.8 | Confident | 86.5 | Confident | 30 Ų | 30 | 82.9 Ų | 82.9 | 16% | 0.157 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -75 | -42 | 178.5 | -70.4 | 167.8 | 0 | 0 | 0 | 111.8 | L521 R522 I525 K535 Q536 R537 F542 Q543 | L521-L539 HydrophobicContact CD2-CD2 4.03Å; L521-L539 HydrophobicContact CG-CD2 4.36Å; R522-L539 HydrophobicContact CG-CD2 4.26Å; I525-L539 HydrophobicContact CD1-CD2 4.49Å; I525-L539 HydrophobicContact CD1-CG 4.3Å; K535-L539 HydrophobicContact CG-CD1 4.04Å; K535-L539 VanDerWaalsContact O-CG 3.32Å; K535-L539 WeakPolarHBondContact O-CG 3.19Å; K535-L539 PolarHBondContact O-N 2.87Å; Q536-L539 PolarHBondContact O-N 3.19Å; R537-L539 PolarHBondContact O-N 3.21Å; L539-F542 PolarHBondContact O-N 3.45Å; L539-Q543 WeakPolarHBondContact O-CB 3.26Å; L539-Q543 VanDerWaalsContact O-CG 3.27Å; L539-Q543 WeakPolarHBondContact O-CG 3.47Å; L539-Q543 PolarHBondContact O-N 3.29Å |
| 540 | E | 85.1 | Confident | 85.8 | Confident | 47 Ų | 47 | 75.8 Ų | 75.8 | 22% | 0.22 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 175.7 | -71.8 | 169.8 | 178.8 | 0 | 0 | 111.5 | Q536 F542 Q543 A544 | Q536-E540 HydrophobicContact CG-CG 4.31Å; Q536-E540 WeakPolarHBondContact CG-OE1 3.49Å; Q536-E540 PolarHBondContact NE2-OE1 2.86Å; Q536-E540 WeakPolarHBondContact O-CG 3.44Å; Q536-E540 PolarHBondContact O-N 2.71Å; E540-F542 VanDerWaalsContact C-N 3.34Å; E540-F542 PolarHBondContact O-N 2.96Å; E540-Q543 PolarHBondContact O-N 2.9Å; E540-A544 WeakPolarHBondContact O-CB 3.33Å; E540-A544 PolarHBondContact O-N 3Å |
| 541 | Y | 82.4 | Confident | 85.2 | Confident | 125 Ų | 125 | 75.5 Ų | 75.5 | 49% | 0.49 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -55.7 | -47.1 | 172.6 | 172.1 | -93.1 | 0 | 0 | 0 | 111.8 | R537 T545 F602 | R537-Y541 WeakPolarHBondContact O-CB 3.48Å; R537-Y541 PolarHBondContact O-N 3.21Å; Y541-T545 VanDerWaalsContact O-CB 3.23Å; Y541-T545 WeakPolarHBondContact O-CB 3.43Å; Y541-T545 PolarHBondContact O-N 2.9Å; Y541-T545 PolarHBondContact O-OG1 3.27Å; Y541-F602 HydrophobicContact CD2-CD1 4Å; Y541-F602 HydrophobicContact CE2-CB 4.45Å |
| 542 | F | 86.9 | Confident | 84.8 | Confident | 42 Ų | 42 | 75.3 Ų | 75.3 | 18% | 0.184 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 178.9 | -178.5 | -95.9 | 0 | 0 | 0 | 111.9 | Y514 R517 T518 L521 M538 L539 E540 W546 | Y514-F542 AromaticContact CD2-CE1 3.85Å; Y514-F542 HydrophobicContact CD2-CE1 3.85Å; Y514-F542 HydrophobicContact CE2-CD1 4.27Å; Y514-F542 AromaticContact CE2-CE1 3.74Å; Y514-F542 HydrophobicContact CE2-CE1 3.74Å; R517-F542 HydrophobicContact CB-CE2 4.08Å; R517-F542 HydrophobicContact CB-CZ 3.61Å; T518-F542 WeakPolarHBondContact OG1-CE1 3.35Å; L521-F542 HydrophobicContact CD2-CB 3.63Å; L521-F542 HydrophobicContact CD2-CD1 4.29Å; L521-F542 HydrophobicContact CD2-CD2 4.21Å; L521-F542 HydrophobicContact CD2-CG 3.77Å; M538-F542 WeakPolarHBondContact O-CB 3.48Å; M538-F542 PolarHBondContact O-N 3.36Å; L539-F542 PolarHBondContact O-N 3.45Å; E540-F542 VanDerWaalsContact C-N 3.34Å; E540-F542 PolarHBondContact O-N 2.96Å; F542-W546 HydrophobicContact CE1-CE3 4.38Å; F542-W546 AromaticContact CZ-CE3 3.81Å; F542-W546 HydrophobicContact CZ-CE3 3.81Å; F542-W546 HydrophobicContact CZ-CZ3 4.39Å; F542-W546 WeakPolarHBondContact O-CB 3.33Å; F542-W546 PolarHBondContact O-N 3.49Å |
| 543 | Q | 87.4 | Confident | 84.4 | Confident | 96 Ų | 96 | 70.7 Ų | 70.7 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 177.5 | -74 | 174.9 | 17.1 | 0 | 0 | 112.3 | L539 E540 W546 A547 | L539-Q543 WeakPolarHBondContact O-CB 3.26Å; L539-Q543 VanDerWaalsContact O-CG 3.27Å; L539-Q543 WeakPolarHBondContact O-CG 3.47Å; L539-Q543 PolarHBondContact O-N 3.29Å; E540-Q543 PolarHBondContact O-N 2.9Å; Q543-W546 PolarHBondContact O-N 3.49Å; Q543-A547 WeakPolarHBondContact O-CB 3.44Å; Q543-A547 PolarHBondContact O-N 3.26Å |
| 544 | A | 78.9 | Confident | 84.2 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 20% | 0.198 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.9 | -46.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | E540 W546 A547 V548 F602 | E540-A544 WeakPolarHBondContact O-CB 3.33Å; E540-A544 PolarHBondContact O-N 3Å; A544-W546 VanDerWaalsContact C-N 3.31Å; A544-W546 PolarHBondContact O-N 2.96Å; A544-A547 PolarHBondContact O-N 3.38Å; A544-V548 WeakPolarHBondContact O-CG2 3.18Å; A544-V548 PolarHBondContact O-N 2.91Å; A544-F602 HydrophobicContact CB-CE1 3.77Å; A544-F602 HydrophobicContact CB-CE2 3.84Å; A544-F602 HydrophobicContact CB-CZ 3.32Å |
| 545 | T | 80.4 | Confident | 83.9 | Confident | 42 Ų | 42 | 69 Ų | 69 | 26% | 0.258 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 176.5 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | Y541 N549 | Y541-T545 VanDerWaalsContact O-CB 3.23Å; Y541-T545 WeakPolarHBondContact O-CB 3.43Å; Y541-T545 PolarHBondContact O-N 2.9Å; Y541-T545 PolarHBondContact O-OG1 3.27Å; T545-N549 WeakPolarHBondContact O-CB 3.31Å; T545-N549 PolarHBondContact O-N 3.23Å |
| 546 | W | 85.6 | Confident | 83.8 | Confident | 44 Ų | 44 | 71.1 Ų | 71.1 | 17% | 0.167 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 175.6 | -174.4 | -80.4 | 0 | 0 | 0 | 112.6 | R510 L513 Y514 F542 Q543 A544 N550 | R510-W546 HydrophobicContact CG-CZ2 3.98Å; L513-W546 HydrophobicContact CB-CH2 4.22Å; L513-W546 HydrophobicContact CD2-CH2 3.6Å; L513-W546 HydrophobicContact CD2-CZ3 3.69Å; L513-W546 HydrophobicContact CG-CH2 4.49Å; Y514-W546 HydrophobicContact CD2-CB 4.44Å; Y514-W546 AromaticContact CD2-CD1 3.77Å; Y514-W546 AromaticContact CD2-CD2 3.57Å; Y514-W546 HydrophobicContact CD2-CD2 3.57Å; Y514-W546 AromaticContact CD2-CE2 3.72Å; Y514-W546 HydrophobicContact CD2-CE3 4.08Å; Y514-W546 AromaticContact CD2-CG 3.67Å; Y514-W546 HydrophobicContact CD2-CG 3.67Å; Y514-W546 HydrophobicContact CD2-CZ2 4.37Å; Y514-W546 AromaticContact CD2-NE1 3.8Å; Y514-W546 HydrophobicContact CE2-CB 4.43Å; Y514-W546 HydrophobicContact CE2-CD2 4.4Å; Y514-W546 HydrophobicContact CE2-CG 4.06Å; Y514-W546 HydrophobicContact CG-CD2 4.38Å; Y514-W546 HydrophobicContact CG-CZ2 4.4Å; F542-W546 HydrophobicContact CE1-CE3 4.38Å; F542-W546 AromaticContact CZ-CE3 3.81Å; F542-W546 HydrophobicContact CZ-CE3 3.81Å; F542-W546 HydrophobicContact CZ-CZ3 4.39Å; F542-W546 WeakPolarHBondContact O-CB 3.33Å; F542-W546 PolarHBondContact O-N 3.49Å; Q543-W546 PolarHBondContact O-N 3.49Å; A544-W546 VanDerWaalsContact C-N 3.31Å; A544-W546 PolarHBondContact O-N 2.96Å; W546-N550 WeakPolarHBondContact O-CA 3.32Å; W546-N550 PolarHBondContact O-N 2.92Å |
| 547 | A | 82.1 | Confident | 83.8 | Confident | 72 Ų | 72 | 70.3 Ų | 70.3 | 60% | 0.595 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.2 | -40 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q543 A544 | Q543-A547 WeakPolarHBondContact O-CB 3.44Å; Q543-A547 PolarHBondContact O-N 3.26Å; A544-A547 PolarHBondContact O-N 3.38Å |
| 548 | V | 77 | Confident | 83.9 | Confident | 101 Ų | 101 | 66.5 Ų | 66.5 | 61% | 0.612 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -72.7 | -55.5 | 175.9 | 179.3 | 0 | 0 | 0 | 0 | 111 | A544 N550 | A544-V548 WeakPolarHBondContact O-CG2 3.18Å; A544-V548 PolarHBondContact O-N 2.91Å; V548-N550 PolarHBondContact O-N 2.94Å |
| 549 | N | 80.7 | Confident | 83.9 | Confident | 53 Ų | 53 | 70.6 Ų | 70.6 | 28% | 0.283 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -87.5 | 0.1 | -170.6 | -65.7 | -13.1 | 0 | 0 | 0 | 114.3 | T545 G551 I552 | T545-N549 WeakPolarHBondContact O-CB 3.31Å; T545-N549 PolarHBondContact O-N 3.23Å; N549-G551 PolarHBondContact O-N 3.05Å; N549-I552 WeakPolarHBondContact O-CB 3.29Å; N549-I552 PolarHBondContact O-N 3.38Å |
| 550 | N | 82.1 | Confident | 83.9 | Confident | 78 Ų | 78 | 73.3 Ų | 73.3 | 42% | 0.417 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 21.1 | -175.9 | -87.5 | -101.3 | 0 | 0 | 0 | 114.8 | R510 W546 V548 | R510-N550 PolarHBondContact NH1-OD1 3.42Å; R510-N550 VanDerWaalsContact NH1-OD1 3.09Å; W546-N550 WeakPolarHBondContact O-CA 3.32Å; W546-N550 PolarHBondContact O-N 2.92Å; V548-N550 PolarHBondContact O-N 2.94Å |
| 551 | G | 81.4 | Confident | 84.1 | Confident | 32 Ų | 32 | 73.8 Ų | 73.8 | 33% | 0.33 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 17.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | N549 | N549-G551 PolarHBondContact O-N 3.05Š|
| 552 | I | 86.3 | Confident | 84.6 | Confident | 75 Ų | 75 | 72 Ų | 72 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | trans | -98.7 | 127.3 | 176.5 | -54.6 | 175.8 | 0 | 0 | 0 | 108.9 | N549 T554 L557 | N549-I552 WeakPolarHBondContact O-CB 3.29Å; N549-I552 PolarHBondContact O-N 3.38Å; I552-T554 PolarHBondContact O-N 3.49Å; I552-L557 HydrophobicContact CG2-CD2 4.08Å | ||
| 553 | D | 82.8 | Confident | 84.6 | Confident | 83 Ų | 83 | 74.8 Ų | 74.8 | 44% | 0.444 | 43% | 0.426 | S | S | . | . | trans | -75.9 | 113.7 | 167 | -166.9 | -51.1 | 0 | 0 | 0 | 109 | T555 E556 L557 | D553-T555 VanDerWaalsContact C-N 3.31Å; D553-T555 WeakPolarHBondContact OD1-CA 3.32Å; D553-T555 WeakPolarHBondContact OD1-CB 3.47Å; D553-T555 PolarHBondContact OD1-N 3.42Å; D553-T555 PolarHBondContact OD1-OG1 3.08Å; D553-E556 HydrophobicContact CB-CB 4.03Å; D553-E556 PolarHBondContact OD1-N 2.87Å; D553-L557 VanDerWaalsContact O-CB 3.3Å; D553-L557 WeakPolarHBondContact O-CB 3.29Å; D553-L557 PolarHBondContact O-N 2.89Å | ||
| 554 | T | 82.4 | Confident | 84.5 | Confident | 51 Ų | 51 | 73.9 Ų | 73.9 | 31% | 0.313 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -71.4 | -27.6 | 179.9 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | I552 L558 | I552-T554 PolarHBondContact O-N 3.49Å; T554-L558 WeakPolarHBondContact O-CB 3.48Å; T554-L558 WeakPolarHBondContact O-CD1 3.33Å; T554-L558 WeakPolarHBondContact O-CG 3.46Å; T554-L558 PolarHBondContact O-N 3.19Å |
| 555 | T | 81 | Confident | 85.1 | Confident | 85 Ų | 85 | 77.5 Ų | 77.5 | 52% | 0.521 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -77.8 | -40.9 | -178.1 | 73.2 | 0 | 0 | 0 | 0 | 111.8 | D553 Q559 | D553-T555 VanDerWaalsContact C-N 3.31Å; D553-T555 WeakPolarHBondContact OD1-CA 3.32Å; D553-T555 WeakPolarHBondContact OD1-CB 3.47Å; D553-T555 PolarHBondContact OD1-N 3.42Å; D553-T555 PolarHBondContact OD1-OG1 3.08Å; T555-Q559 VanDerWaalsContact O-CG 3.28Å; T555-Q559 WeakPolarHBondContact O-CG 3.48Å; T555-Q559 PolarHBondContact O-N 3.36Å; T555-Q559 VanDerWaalsContact O-N 3.13Å; T555-Q559 PolarHBondContact O-NE2 3.39Å |
| 556 | E | 86.4 | Confident | 85.6 | Confident | 140 Ų | 140 | 79.2 Ų | 79.2 | 65% | 0.654 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.7 | -46.9 | 172.5 | -171.9 | -175.3 | -173.6 | 0 | 0 | 110.4 | D553 L558 Q559 S560 | D553-E556 HydrophobicContact CB-CB 4.03Å; D553-E556 PolarHBondContact OD1-N 2.87Å; E556-L558 VanDerWaalsContact C-N 3.34Å; E556-L558 PolarHBondContact O-N 3.29Å; E556-Q559 PolarHBondContact O-N 3.37Å; E556-S560 PolarHBondContact O-N 3.49Å |
| 557 | L | 87.9 | Confident | 85.9 | Confident | 97 Ų | 97 | 77.4 Ų | 77.4 | 51% | 0.508 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59 | -44.4 | 177.6 | 179.5 | 62 | 0 | 0 | 0 | 111.9 | I552 D553 Q559 S560 | I552-L557 HydrophobicContact CG2-CD2 4.08Å; D553-L557 VanDerWaalsContact O-CB 3.3Å; D553-L557 WeakPolarHBondContact O-CB 3.29Å; D553-L557 PolarHBondContact O-N 2.89Å; L557-Q559 VanDerWaalsContact C-N 3.33Å; L557-Q559 PolarHBondContact O-N 3.38Å; L557-S560 PolarHBondContact O-N 3.25Å; L557-S560 PolarHBondContact O-OG 2.86Å |
| 558 | L | 87.2 | Confident | 86.3 | Confident | 31 Ų | 31 | 76.3 Ų | 76.3 | 16% | 0.162 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.2 | -29.9 | 178.9 | -77.8 | 171.8 | 0 | 0 | 0 | 113 | T554 E556 S560 L561 R566 I569 L573 | T554-L558 WeakPolarHBondContact O-CB 3.48Å; T554-L558 WeakPolarHBondContact O-CD1 3.33Å; T554-L558 WeakPolarHBondContact O-CG 3.46Å; T554-L558 PolarHBondContact O-N 3.19Å; E556-L558 VanDerWaalsContact C-N 3.34Å; E556-L558 PolarHBondContact O-N 3.29Å; L558-S560 PolarHBondContact O-N 2.87Å; L558-L561 HydrophobicContact CD2-CD1 4.33Å; L558-L561 PolarHBondContact O-N 3.23Å; L558-R566 HydrophobicContact CB-CG 4.19Å; L558-R566 HydrophobicContact CD2-CG 4.47Å; L558-R566 WeakPolarHBondContact O-CD 3.37Å; L558-I569 HydrophobicContact CD2-CB 4.13Å; L558-I569 HydrophobicContact CD2-CG2 3.81Å; L558-L573 HydrophobicContact CD1-CD1 4.43Å |
| 559 | Q | 87.3 | Confident | 87.1 | Confident | 134 Ų | 134 | 74.7 Ų | 74.7 | 63% | 0.626 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66.3 | -22.8 | 174.7 | -75.4 | 168.6 | 54.2 | 0 | 0 | 113.3 | T555 E556 L557 L561 | T555-Q559 VanDerWaalsContact O-CG 3.28Å; T555-Q559 WeakPolarHBondContact O-CG 3.48Å; T555-Q559 PolarHBondContact O-N 3.36Å; T555-Q559 VanDerWaalsContact O-N 3.13Å; T555-Q559 PolarHBondContact O-NE2 3.39Å; E556-Q559 PolarHBondContact O-N 3.37Å; L557-Q559 VanDerWaalsContact C-N 3.33Å; L557-Q559 PolarHBondContact O-N 3.38Å; Q559-L561 PolarHBondContact O-N 3.47Å |
| 560 | S | 89.7 | Confident | 87.6 | Confident | 87 Ų | 87 | 72.3 Ų | 72.3 | 61% | 0.608 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -6.5 | 174.8 | 76.1 | 0 | 0 | 0 | 0 | 114.4 | E556 L557 L558 | E556-S560 PolarHBondContact O-N 3.49Å; L557-S560 PolarHBondContact O-N 3.25Å; L557-S560 PolarHBondContact O-OG 2.86Å; L558-S560 PolarHBondContact O-N 2.87Å |
| 561 | L | 90.4 | Very high | 88 | Confident | 57 Ų | 57 | 70 Ų | 70 | 30% | 0.298 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -109.4 | 144.8 | -173.3 | -58.4 | 179.6 | 0 | 0 | 0 | 112.2 | L558 Q559 I569 | L558-L561 HydrophobicContact CD2-CD1 4.33Å; L558-L561 PolarHBondContact O-N 3.23Å; Q559-L561 PolarHBondContact O-N 3.47Å; L561-I569 HydrophobicContact CD1-CD1 3.52Å |
| 562 | P | 92.1 | Very high | 88.5 | Confident | 88 Ų | 88 | 75.2 Ų | 75.2 | 57% | 0.571 | 40% | 0.395 | S | S | * | . | trans | -57 | 145.6 | 172.9 | -24.2 | 33.4 | 0 | 0 | 0 | 113 | E564 L565 R566 | P562-E564 VanDerWaalsContact C-N 3.3Å; P562-E564 PolarHBondContact O-N 2.92Å; P562-E564 VanDerWaalsContact O-N 3.12Å; P562-L565 PolarHBondContact O-N 2.87Å; P562-R566 WeakPolarHBondContact O-CB 3.14Å; P562-R566 PolarHBondContact O-N 2.76Å | ||
| 563 | D | 87.8 | Confident | 88.6 | Confident | 101 Ų | 101 | 76.1 Ų | 76.1 | 54% | 0.54 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -52.6 | -39 | -172 | -70.5 | -45.8 | 0 | 0 | 0 | 115.3 | L565 R566 A567 | D563-L565 PolarHBondContact O-N 3.34Å; D563-R566 PolarHBondContact O-N 3.28Å; D563-R566 IonicContact OD1-CZ 3.98Å; D563-R566 VanDerWaalsContact OD1-CZ 3.26Å; D563-R566 IonicContact OD1-NE 3.4Å; D563-R566 PolarHBondContact OD1-NE 2.95Å; D563-R566 VanDerWaalsContact OD1-NE 3.07Å; D563-R566 IonicContact OD1-NH2 2.77Å; D563-R566 PolarHBondContact OD1-NH2 2.63Å; D563-A567 VanDerWaalsContact O-CB 3.32Å; D563-A567 WeakPolarHBondContact O-CB 3.46Å; D563-A567 PolarHBondContact O-N 3.29Å |
| 564 | E | 86 | Confident | 89 | Confident | 77 Ų | 77 | 73.2 Ų | 73.2 | 36% | 0.36 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 177.5 | -66.6 | -170.1 | -151.5 | 0 | 0 | 112.3 | P562 D568 T1072 | P562-E564 VanDerWaalsContact C-N 3.3Å; P562-E564 PolarHBondContact O-N 2.92Å; P562-E564 VanDerWaalsContact O-N 3.12Å; E564-D568 WeakPolarHBondContact O-CB 3.25Å; E564-D568 PolarHBondContact O-N 3.06Å; E564-D568 VanDerWaalsContact O-N 3.08Å; E564-T1072 WeakPolarHBondContact OE1-CB 3.41Å; E564-T1072 VanDerWaalsContact OE1-CG2 3.29Å; E564-T1072 WeakPolarHBondContact OE1-CG2 3.41Å; E564-T1072 PolarHBondContact OE1-OG1 3.36Å |
| 565 | L | 90.7 | Very high | 89.4 | Confident | 99 Ų | 99 | 76 Ų | 76 | 52% | 0.518 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -74.8 | -40.3 | 177.4 | -67.3 | 177.2 | 0 | 0 | 0 | 111.1 | P562 D563 A567 D568 I569 | P562-L565 PolarHBondContact O-N 2.87Å; D563-L565 PolarHBondContact O-N 3.34Å; L565-A567 VanDerWaalsContact C-N 3.31Å; L565-A567 PolarHBondContact O-N 3.31Å; L565-D568 PolarHBondContact O-N 3Å; L565-I569 WeakPolarHBondContact O-CB 3.46Å; L565-I569 WeakPolarHBondContact O-CD1 3.3Å; L565-I569 VanDerWaalsContact O-CG1 3.23Å; L565-I569 WeakPolarHBondContact O-CG1 3.45Å; L565-I569 PolarHBondContact O-N 3.37Å |
| 566 | R | 91.8 | Very high | 89.6 | Confident | 79 Ų | 79 | 76.6 Ų | 76.6 | 30% | 0.298 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -54.8 | -47.6 | 175 | -172.8 | 164.6 | 74.2 | 130.7 | -8.5 | 111.1 | L558 P562 D563 A570 L596 | L558-R566 HydrophobicContact CB-CG 4.19Å; L558-R566 HydrophobicContact CD2-CG 4.47Å; L558-R566 WeakPolarHBondContact O-CD 3.37Å; P562-R566 WeakPolarHBondContact O-CB 3.14Å; P562-R566 PolarHBondContact O-N 2.76Å; D563-R566 PolarHBondContact O-N 3.28Å; D563-R566 IonicContact OD1-CZ 3.98Å; D563-R566 VanDerWaalsContact OD1-CZ 3.26Å; D563-R566 IonicContact OD1-NE 3.4Å; D563-R566 PolarHBondContact OD1-NE 2.95Å; D563-R566 VanDerWaalsContact OD1-NE 3.07Å; D563-R566 IonicContact OD1-NH2 2.77Å; D563-R566 PolarHBondContact OD1-NH2 2.63Å; R566-A570 WeakPolarHBondContact O-CB 3.3Å; R566-A570 PolarHBondContact O-N 3.4Å; R566-L596 HydrophobicContact CG-CD2 4.02Å |
| 567 | A | 90.5 | Very high | 89.8 | Confident | 6 Ų | 6 | 70.2 Ų | 70.2 | 5% | 0.05 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -72 | -39.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | D563 L565 I569 A570 M571 R592 S595 L596 | D563-A567 VanDerWaalsContact O-CB 3.32Å; D563-A567 WeakPolarHBondContact O-CB 3.46Å; D563-A567 PolarHBondContact O-N 3.29Å; L565-A567 VanDerWaalsContact C-N 3.31Å; L565-A567 PolarHBondContact O-N 3.31Å; A567-I569 VanDerWaalsContact C-N 3.34Å; A567-A570 PolarHBondContact O-N 3.27Å; A567-M571 WeakPolarHBondContact O-CG 3.32Å; A567-M571 PolarHBondContact O-N 3.36Å; A567-R592 HydrophobicContact CB-CB 3.9Å; A567-R592 HydrophobicContact CB-CG 3.81Å; A567-S595 PolarHBondContact O-OG 3.47Å; A567-L596 HydrophobicContact CB-CD1 4.12Å; A567-L596 HydrophobicContact CB-CG 4.43Å |
| 568 | D | 91.9 | Very high | 90 | Very high | 48 Ų | 48 | 66.7 Ų | 66.7 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69 | -31.4 | 177 | -81.7 | -13.1 | 0 | 0 | 0 | 112.6 | E564 L565 M571 H572 R588 R592 | E564-D568 WeakPolarHBondContact O-CB 3.25Å; E564-D568 PolarHBondContact O-N 3.06Å; E564-D568 VanDerWaalsContact O-N 3.08Å; L565-D568 PolarHBondContact O-N 3Å; D568-M571 WeakPolarHBondContact OD1-CE 3.49Å; D568-H572 PolarHBondContact O-N 3.08Å; D568-R588 IonicContact OD1-CZ 3Å; D568-R588 IonicContact OD1-NE 2.71Å; D568-R588 IonicContact OD1-NH2 3.03Å; D568-R588 PolarHBondContact OD1-NH2 3.23Å; D568-R588 IonicContact OD2-NH2 3.99Å; D568-R588 PolarHBondContact OD2-NH2 2.92Å; D568-R592 IonicContact OD1-CZ 3.54Å; D568-R592 VanDerWaalsContact OD1-CZ 3.26Å; D568-R592 IonicContact OD1-NE 2.67Å; D568-R592 PolarHBondContact OD1-NE 3.18Å; D568-R592 IonicContact OD1-NH2 3.2Å; D568-R592 PolarHBondContact OD1-NH2 2.94Å; D568-R592 IonicContact OD2-CZ 2.78Å; D568-R592 IonicContact OD2-NH2 2.62Å; D568-R592 PolarHBondContact OD2-NH2 3.3Å |
| 569 | I | 92.4 | Very high | 90 | Very high | 67 Ų | 67 | 71.6 Ų | 71.6 | 34% | 0.344 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.2 | -44 | 170.9 | -66.3 | 163.2 | 0 | 0 | 0 | 110.6 | L558 L561 L565 A567 M571 H572 L573 | L558-I569 HydrophobicContact CD2-CB 4.13Å; L558-I569 HydrophobicContact CD2-CG2 3.81Å; L561-I569 HydrophobicContact CD1-CD1 3.52Å; L565-I569 WeakPolarHBondContact O-CB 3.46Å; L565-I569 WeakPolarHBondContact O-CD1 3.3Å; L565-I569 VanDerWaalsContact O-CG1 3.23Å; L565-I569 WeakPolarHBondContact O-CG1 3.45Å; L565-I569 PolarHBondContact O-N 3.37Å; A567-I569 VanDerWaalsContact C-N 3.34Å; I569-M571 VanDerWaalsContact C-N 3.35Å; I569-M571 PolarHBondContact O-N 3.46Å; I569-H572 WeakPolarHBondContact O-CA 3.3Å; I569-H572 WeakPolarHBondContact O-CB 3.09Å; I569-H572 PolarHBondContact O-N 3.07Å; I569-L573 HydrophobicContact CG2-CD1 4Å; I569-L573 HydrophobicContact CG2-CG 4.25Å; I569-L573 WeakPolarHBondContact O-CG 3.4Å; I569-L573 PolarHBondContact O-N 2.87Å |
| 570 | A | 90.8 | Very high | 90 | Very high | 3 Ų | 3 | 66.7 Ų | 66.7 | 3% | 0.025 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.9 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R566 A567 H572 L573 H574 S595 L596 | R566-A570 WeakPolarHBondContact O-CB 3.3Å; R566-A570 PolarHBondContact O-N 3.4Å; A567-A570 PolarHBondContact O-N 3.27Å; A570-H572 PolarHBondContact O-N 3.42Å; A570-L573 PolarHBondContact O-N 3.35Å; A570-H574 WeakPolarHBondContact O-CB 3.47Å; A570-H574 PolarHBondContact O-CD2 2.72Å; A570-H574 PolarHBondContact O-N 3.31Å; A570-S595 WeakPolarHBondContact CB-OG 3.31Å; A570-L596 HydrophobicContact CB-CD2 3.83Å |
| 571 | M | 92 | Very high | 89.9 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 15% | 0.148 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.6 | -30.7 | 172.6 | -73.7 | -163.3 | -51.8 | 0 | 0 | 113.5 | A567 D568 I569 K575 L578 R588 L591 R592 S595 | A567-M571 WeakPolarHBondContact O-CG 3.32Å; A567-M571 PolarHBondContact O-N 3.36Å; D568-M571 WeakPolarHBondContact OD1-CE 3.49Å; I569-M571 VanDerWaalsContact C-N 3.35Å; I569-M571 PolarHBondContact O-N 3.46Å; M571-K575 WeakPolarHBondContact O-CA 3.35Å; M571-K575 PolarHBondContact O-N 3.41Å; M571-L578 HydrophobicContact CB-CD1 4.12Å; M571-L578 HydrophobicContact CG-CD1 4.08Å; M571-R588 HydrophobicContact CE-CG 4.3Å; M571-L591 HydrophobicContact SD-CB 3.65Å; M571-R592 HydrophobicContact CE-CG 3.76Å; M571-R592 HydrophobicContact CG-CG 4.28Å; M571-R592 HydrophobicContact SD-CB 4.41Å; M571-R592 HydrophobicContact SD-CG 3.69Å; M571-S595 WeakPolarHBondContact CG-OG 3.29Å; M571-S595 PolarHBondContact N-OG 3.25Å |
| 572 | H | 91.6 | Very high | 89.8 | Confident | 142 Ų | 142 | 64.1 Ų | 64.1 | 66% | 0.657 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -75 | -44.6 | 176.4 | -174.1 | 80.5 | 0 | 0 | 0 | 112 | D568 I569 A570 H574 K575 | D568-H572 PolarHBondContact O-N 3.08Å; I569-H572 WeakPolarHBondContact O-CA 3.3Å; I569-H572 WeakPolarHBondContact O-CB 3.09Å; I569-H572 PolarHBondContact O-N 3.07Å; A570-H572 PolarHBondContact O-N 3.42Å; H572-H574 VanDerWaalsContact C-N 3.3Å; H572-H574 PolarHBondContact O-N 3.17Å; H572-K575 VanDerWaalsContact O-CB 3.28Å; H572-K575 WeakPolarHBondContact O-CB 3.45Å; H572-K575 PolarHBondContact O-N 2.79Å |
| 573 | L | 88.4 | Confident | 89.7 | Confident | 93 Ų | 93 | 60.2 Ų | 60.2 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.3 | -37.3 | 176.1 | -66.7 | 172.3 | 0 | 0 | 0 | 112.1 | L558 I569 A570 | L558-L573 HydrophobicContact CD1-CD1 4.43Å; I569-L573 HydrophobicContact CG2-CD1 4Å; I569-L573 HydrophobicContact CG2-CG 4.25Å; I569-L573 WeakPolarHBondContact O-CG 3.4Å; I569-L573 PolarHBondContact O-N 2.87Å; A570-L573 PolarHBondContact O-N 3.35Å |
| 574 | H | 90 | Very high | 89.7 | Confident | 22 Ų | 22 | 63.5 Ų | 63.5 | 10% | 0.102 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 15.7 | -178.4 | -65.5 | -62.7 | 0 | 0 | 0 | 113.9 | A570 H572 E576 V577 L578 S595 L598 Q671 | A570-H574 WeakPolarHBondContact O-CB 3.47Å; A570-H574 PolarHBondContact O-CD2 2.72Å; A570-H574 PolarHBondContact O-N 3.31Å; H572-H574 VanDerWaalsContact C-N 3.3Å; H572-H574 PolarHBondContact O-N 3.17Å; H574-E576 VanDerWaalsContact C-N 3.31Å; H574-E576 PolarHBondContact O-N 2.92Å; H574-V577 PolarHBondContact O-N 2.98Å; H574-V577 VanDerWaalsContact O-N 3.14Å; H574-L578 HydrophobicContact CB-CD1 4.1Å; H574-L578 HydrophobicContact CB-CG 4.41Å; H574-L578 WeakPolarHBondContact O-CG 3.37Å; H574-L578 PolarHBondContact O-N 3.41Å; H574-L578 VanDerWaalsContact O-N 3.11Å; H574-S595 PolarHBondContact CD2-O 2.89Å; H574-L598 HydrophobicContact CB-CD1 3.53Å; H574-Q671 VanDerWaalsContact ND1-CD 3.34Å; H574-Q671 PolarHBondContact ND1-OE1 2.72Å |
| 575 | K | 90.6 | Very high | 89.8 | Confident | 109 Ų | 109 | 62.9 Ų | 62.9 | 47% | 0.474 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -55.5 | -39.3 | -174 | -178.9 | -178.8 | 170.6 | -170.1 | 0 | 113.7 | M571 H572 V577 L578 Q579 | M571-K575 WeakPolarHBondContact O-CA 3.35Å; M571-K575 PolarHBondContact O-N 3.41Å; H572-K575 VanDerWaalsContact O-CB 3.28Å; H572-K575 WeakPolarHBondContact O-CB 3.45Å; H572-K575 PolarHBondContact O-N 2.79Å; K575-V577 VanDerWaalsContact C-N 3.33Å; K575-V577 PolarHBondContact O-N 3.29Å; K575-L578 PolarHBondContact O-N 2.96Å; K575-Q579 HydrophobicContact CG-CG 4.16Å; K575-Q579 VanDerWaalsContact O-CG 3.31Å; K575-Q579 WeakPolarHBondContact O-CG 3.24Å; K575-Q579 PolarHBondContact O-N 3.48Å; K575-Q579 VanDerWaalsContact O-N 3.1Å |
| 576 | E | 87.2 | Confident | 89.8 | Confident | 99 Ų | 99 | 58.9 Ų | 58.9 | 46% | 0.463 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60 | -40.6 | 179.7 | -65.4 | -161.3 | 161 | 0 | 0 | 112.3 | H574 K641 | H574-E576 VanDerWaalsContact C-N 3.31Å; H574-E576 PolarHBondContact O-N 2.92Å; E576-K641 IonicContact OE1-NZ 3.2Å; E576-K641 PolarHBondContact OE1-NZ 3.22Å; E576-K641 IonicContact OE2-NZ 2.74Å; E576-K641 PolarHBondContact OE2-NZ 3.33Å |
| 577 | V | 90.4 | Very high | 89.9 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.1 | -44.9 | 176 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | H574 K575 Q579 L580 F583 L598 F621 Q671 | H574-V577 PolarHBondContact O-N 2.98Å; H574-V577 VanDerWaalsContact O-N 3.14Å; K575-V577 VanDerWaalsContact C-N 3.33Å; K575-V577 PolarHBondContact O-N 3.29Å; V577-Q579 PolarHBondContact O-N 2.99Å; V577-Q579 VanDerWaalsContact O-N 3.15Å; V577-L580 WeakPolarHBondContact O-CB 3.23Å; V577-L580 VanDerWaalsContact O-CG 3.31Å; V577-L580 WeakPolarHBondContact O-CG 3.44Å; V577-L580 PolarHBondContact O-N 3.28Å; V577-L580 VanDerWaalsContact O-N 3.16Å; V577-F583 HydrophobicContact CG1-CE2 3.78Å; V577-F583 HydrophobicContact CG1-CZ 4.28Å; V577-F583 WeakPolarHBondContact O-CD2 3.43Å; V577-F583 WeakPolarHBondContact O-CE2 3.44Å; V577-L598 HydrophobicContact CB-CD1 4.31Å; V577-L598 HydrophobicContact CG1-CD1 4.05Å; V577-L598 HydrophobicContact CG1-CD2 4.3Å; V577-F621 HydrophobicContact CG2-CB 4.01Å; V577-F621 HydrophobicContact CG2-CD1 3.4Å; V577-F621 VanDerWaalsContact CG2-CD1 3.4Å; V577-F621 HydrophobicContact CG2-CE1 4.02Å; V577-F621 HydrophobicContact CG2-CG 3.86Å; V577-Q671 HydrophobicContact CG2-CB 3.94Å; V577-Q671 HydrophobicContact CG2-CG 4.49Å |
| 578 | L | 90.7 | Very high | 89.9 | Confident | 22 Ų | 22 | 63.5 Ų | 63.5 | 12% | 0.115 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.7 | -4 | -175.6 | -61 | 171.8 | 0 | 0 | 0 | 113.7 | M571 H574 K575 L591 L598 | M571-L578 HydrophobicContact CB-CD1 4.12Å; M571-L578 HydrophobicContact CG-CD1 4.08Å; H574-L578 HydrophobicContact CB-CD1 4.1Å; H574-L578 HydrophobicContact CB-CG 4.41Å; H574-L578 WeakPolarHBondContact O-CG 3.37Å; H574-L578 PolarHBondContact O-N 3.41Å; H574-L578 VanDerWaalsContact O-N 3.11Å; K575-L578 PolarHBondContact O-N 2.96Å; L578-L591 HydrophobicContact CB-CD2 4.43Å; L578-L591 HydrophobicContact CD2-CD2 4.03Å; L578-L598 HydrophobicContact CD2-CD1 4.34Å |
| 579 | Q | 88.4 | Confident | 89.8 | Confident | 134 Ų | 134 | 62.5 Ų | 62.5 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -0.5 | 172.3 | -74.9 | -169.5 | -80 | 0 | 0 | 114.3 | K575 V577 | K575-Q579 HydrophobicContact CG-CG 4.16Å; K575-Q579 VanDerWaalsContact O-CG 3.31Å; K575-Q579 WeakPolarHBondContact O-CG 3.24Å; K575-Q579 PolarHBondContact O-N 3.48Å; K575-Q579 VanDerWaalsContact O-N 3.1Å; V577-Q579 PolarHBondContact O-N 2.99Å; V577-Q579 VanDerWaalsContact O-N 3.15Å |
| 580 | L | 87.7 | Confident | 89.8 | Confident | 31 Ų | 31 | 59.3 Ų | 59.3 | 16% | 0.162 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -65.4 | 147.9 | 173.8 | -64.1 | 170.6 | 0 | 0 | 0 | 111.2 | V577 L582 F583 F621 | V577-L580 WeakPolarHBondContact O-CB 3.23Å; V577-L580 VanDerWaalsContact O-CG 3.31Å; V577-L580 WeakPolarHBondContact O-CG 3.44Å; V577-L580 PolarHBondContact O-N 3.28Å; V577-L580 VanDerWaalsContact O-N 3.16Å; L580-L582 HydrophobicContact CB-CB 4.38Å; L580-L582 PolarHBondContact O-N 3.43Å; L580-F583 HydrophobicContact CB-CD2 4.14Å; L580-F583 HydrophobicContact CD1-CE2 4.43Å; L580-F583 PolarHBondContact O-N 2.97Å; L580-F621 HydrophobicContact CD1-CD2 3.83Å; L580-F621 HydrophobicContact CD1-CE2 3.83Å; L580-F621 HydrophobicContact CD2-CE2 3.89Å; L580-F621 HydrophobicContact CD2-CZ 4.41Å; L580-F621 HydrophobicContact CG-CE2 4.31Å |
| 581 | P | 87.2 | Confident | 89.9 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -52.4 | -33.2 | 178.6 | -26 | 34 | 0 | 0 | 0 | 113.4 | F583 E584 E699 | P581-F583 PolarHBondContact O-N 2.73Å; P581-F583 VanDerWaalsContact O-N 3.1Å; P581-E584 PolarHBondContact O-N 2.94Å; P581-E584 VanDerWaalsContact O-N 3.14Å; P581-E699 WeakPolarHBondContact CD-OE2 3.41Å |
| 582 | L | 88.2 | Confident | 89.9 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -48.3 | -32.5 | 172.5 | -175.8 | 59.2 | 0 | 0 | 0 | 114.6 | L580 L644 F688 F692 L696 E699 | L580-L582 HydrophobicContact CB-CB 4.38Å; L580-L582 PolarHBondContact O-N 3.43Å; L582-L644 HydrophobicContact CD2-CD2 4.11Å; L582-F688 WeakPolarHBondContact O-CZ 3.31Å; L582-F692 HydrophobicContact CD1-CD2 3.53Å; L582-F692 HydrophobicContact CD1-CE2 3.7Å; L582-F692 HydrophobicContact CD1-CG 4.13Å; L582-F692 HydrophobicContact CD1-CZ 4.4Å; L582-F692 WeakPolarHBondContact CD1-O 3.44Å; L582-F692 HydrophobicContact CD2-CD2 4.25Å; L582-F692 HydrophobicContact CD2-CE2 3.55Å; L582-F692 HydrophobicContact CD2-CZ 3.99Å; L582-F692 HydrophobicContact CG-CD2 3.64Å; L582-F692 HydrophobicContact CG-CE2 3.43Å; L582-F692 VanDerWaalsContact CG-CE2 3.43Å; L582-F692 HydrophobicContact CG-CZ 4.29Å; L582-L696 HydrophobicContact CD1-CB 4.02Å; L582-L696 VanDerWaalsContact CD1-N 3.35Å; L582-L696 HydrophobicContact CD2-CD1 3.98Å; L582-E699 HydrophobicContact CB-CG 4.37Å |
| 583 | F | 90.3 | Very high | 89.9 | Confident | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -106.3 | -4.2 | -177.2 | -59.6 | -73.8 | 0 | 0 | 0 | 114.2 | V577 L580 P581 A585 A586 L591 L594 L673 F688 F692 | V577-F583 HydrophobicContact CG1-CE2 3.78Å; V577-F583 HydrophobicContact CG1-CZ 4.28Å; V577-F583 WeakPolarHBondContact O-CD2 3.43Å; V577-F583 WeakPolarHBondContact O-CE2 3.44Å; L580-F583 HydrophobicContact CB-CD2 4.14Å; L580-F583 HydrophobicContact CD1-CE2 4.43Å; L580-F583 PolarHBondContact O-N 2.97Å; P581-F583 PolarHBondContact O-N 2.73Å; P581-F583 VanDerWaalsContact O-N 3.1Å; F583-A585 PolarHBondContact O-N 3.42Å; F583-A586 WeakPolarHBondContact O-CB 3.37Å; F583-A586 PolarHBondContact O-N 3.18Å; F583-L591 HydrophobicContact CB-CD2 3.98Å; F583-L594 HydrophobicContact CD1-CD1 3.99Å; F583-L594 HydrophobicContact CE1-CD1 3.9Å; F583-L673 HydrophobicContact CZ-CD2 4.2Å; F583-F688 HydrophobicContact CD1-CZ 4.28Å; F583-F692 HydrophobicContact CD1-CE2 4.15Å; F583-F692 HydrophobicContact CE1-CD2 4.29Å; F583-F692 AromaticContact CE1-CE2 3.52Å; F583-F692 HydrophobicContact CE1-CE2 3.52Å; F583-F692 HydrophobicContact CE1-CZ 4.38Å; F583-F692 AromaticContact CZ-CE2 3.94Å; F583-F692 HydrophobicContact CZ-CE2 3.94Å |
| 584 | E | 87.4 | Confident | 90 | Very high | 171 Ų | 171 | 52.6 Ų | 52.6 | 80% | 0.799 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.4 | -34.6 | -178.6 | -172.6 | -179.7 | -170.1 | 0 | 0 | 112.3 | P581 A586 | P581-E584 PolarHBondContact O-N 2.94Å; P581-E584 VanDerWaalsContact O-N 3.14Å; E584-A586 VanDerWaalsContact C-N 3.28Å; E584-A586 PolarHBondContact O-N 3.1Å |
| 585 | A | 86.8 | Confident | 90.1 | Very high | 63 Ų | 63 | 51.6 Ų | 51.6 | 52% | 0.521 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F583 F688 | F583-A585 PolarHBondContact O-N 3.42Å; A585-F688 HydrophobicContact CB-CD2 4.3Å; A585-F688 HydrophobicContact CB-CE2 4.19Å; A585-F688 WeakPolarHBondContact O-CD2 3.33Å |
| 586 | A | 91.6 | Very high | 90 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 12% | 0.124 | 27% | 0.27 | C | S | . | . | trans | -82 | 142.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F583 E584 C590 L591 F688 | F583-A586 WeakPolarHBondContact O-CB 3.37Å; F583-A586 PolarHBondContact O-N 3.18Å; E584-A586 VanDerWaalsContact C-N 3.28Å; E584-A586 PolarHBondContact O-N 3.1Å; A586-C590 HydrophobicContact CB-CB 4.23Å; A586-L591 HydrophobicContact CB-CD2 3.73Å; A586-L591 HydrophobicContact CB-CG 3.85Å; A586-F688 HydrophobicContact CB-CD2 4.1Å; A586-F688 HydrophobicContact CB-CE1 4.14Å; A586-F688 HydrophobicContact CB-CE2 3.69Å; A586-F688 HydrophobicContact CB-CG 4.5Å; A586-F688 HydrophobicContact CB-CZ 3.71Å | ||
| 587 | S | 92.9 | Very high | 90.1 | Very high | 55 Ų | 55 | 46.1 Ų | 46.1 | 39% | 0.385 | 25% | 0.253 | S | S | . | . | trans | -69.5 | 154.6 | 169.1 | 79.9 | 0 | 0 | 0 | 0 | 110.6 | G589 C590 L591 Y685 | S587-G589 PolarHBondContact O-N 3.34Å; S587-G589 VanDerWaalsContact O-N 3.15Å; S587-G589 PolarHBondContact OG-N 2.95Å; S587-C590 WeakPolarHBondContact O-CA 3.19Å; S587-C590 WeakPolarHBondContact O-CB 3.47Å; S587-C590 PolarHBondContact O-N 3.25Å; S587-C590 WeakPolarHBondContact OG-CB 3.49Å; S587-C590 PolarHBondContact OG-N 3.12Å; S587-C590 VanDerWaalsContact OG-N 3.08Å; S587-L591 PolarHBondContact O-N 3.15Å; S587-Y685 WeakPolarHBondContact OG-CE1 3.31Å | ||
| 588 | R | 91.3 | Very high | 90.1 | Very high | 127 Ų | 127 | 46.4 Ų | 46.4 | 48% | 0.479 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.2 | -28.5 | 174 | -175.7 | 173.1 | 176.2 | 144.1 | 0.5 | 112.8 | D568 M571 R592 | D568-R588 IonicContact OD1-CZ 3Å; D568-R588 IonicContact OD1-NE 2.71Å; D568-R588 IonicContact OD1-NH2 3.03Å; D568-R588 PolarHBondContact OD1-NH2 3.23Å; D568-R588 IonicContact OD2-NH2 3.99Å; D568-R588 PolarHBondContact OD2-NH2 2.92Å; M571-R588 HydrophobicContact CE-CG 4.3Å; R588-R592 WeakPolarHBondContact O-CB 3.43Å; R588-R592 WeakPolarHBondContact O-CG 3.31Å; R588-R592 PolarHBondContact O-N 3.49Å |
| 589 | G | 90.8 | Very high | 89.9 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.7 | -39.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S587 R592 A593 Y685 | S587-G589 PolarHBondContact O-N 3.34Å; S587-G589 VanDerWaalsContact O-N 3.15Å; S587-G589 PolarHBondContact OG-N 2.95Å; G589-R592 PolarHBondContact O-N 3.36Å; G589-A593 PolarHBondContact O-N 3.27Å; G589-Y685 VanDerWaalsContact C-CZ 3.49Å; G589-Y685 WeakPolarHBondContact CA-OH 3.46Å; G589-Y685 PolarHBondContact O-OH 2.84Å |
| 590 | C | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.9 | -47.2 | 175.3 | -170.7 | 0 | 0 | 0 | 0 | 111.3 | A586 S587 R592 A593 L594 Y685 F688 | A586-C590 HydrophobicContact CB-CB 4.23Å; S587-C590 WeakPolarHBondContact O-CA 3.19Å; S587-C590 WeakPolarHBondContact O-CB 3.47Å; S587-C590 PolarHBondContact O-N 3.25Å; S587-C590 WeakPolarHBondContact OG-CB 3.49Å; S587-C590 PolarHBondContact OG-N 3.12Å; S587-C590 VanDerWaalsContact OG-N 3.08Å; C590-R592 VanDerWaalsContact C-N 3.31Å; C590-R592 PolarHBondContact O-N 3.48Å; C590-A593 PolarHBondContact O-N 3.03Å; C590-L594 WeakPolarHBondContact O-CB 3.34Å; C590-L594 VanDerWaalsContact O-CG 3.31Å; C590-L594 WeakPolarHBondContact O-CG 3.26Å; C590-L594 PolarHBondContact O-N 3.42Å; C590-L594 VanDerWaalsContact SG-CD1 3.56Å; C590-Y685 HydrophobicContact CB-CD1 4.11Å; C590-Y685 HydrophobicContact CB-CD2 3.56Å; C590-Y685 HydrophobicContact CB-CE1 4.29Å; C590-Y685 HydrophobicContact CB-CE2 3.8Å; C590-Y685 HydrophobicContact CB-CG 3.75Å; C590-F688 VanDerWaalsContact SG-CD1 3.53Å |
| 591 | L | 92.8 | Very high | 89.8 | Confident | 35 Ų | 35 | 49.5 Ų | 49.5 | 18% | 0.183 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.2 | -42.7 | 174.6 | -65.7 | 173.3 | 0 | 0 | 0 | 112 | M571 L578 F583 A586 S587 S595 | M571-L591 HydrophobicContact SD-CB 3.65Å; L578-L591 HydrophobicContact CB-CD2 4.43Å; L578-L591 HydrophobicContact CD2-CD2 4.03Å; F583-L591 HydrophobicContact CB-CD2 3.98Å; A586-L591 HydrophobicContact CB-CD2 3.73Å; A586-L591 HydrophobicContact CB-CG 3.85Å; S587-L591 PolarHBondContact O-N 3.15Å; L591-S595 VanDerWaalsContact O-CB 3.24Å; L591-S595 WeakPolarHBondContact O-CB 3.41Å; L591-S595 PolarHBondContact O-N 3.25Å; L591-S595 PolarHBondContact O-OG 2.95Å |
| 592 | R | 91.9 | Very high | 89.8 | Confident | 63 Ų | 63 | 47.6 Ų | 47.6 | 24% | 0.238 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.6 | -49.8 | 174 | -83 | -179.6 | 170.8 | -179.1 | -6.8 | 111.9 | A567 D568 M571 R588 G589 C590 S595 L596 | A567-R592 HydrophobicContact CB-CB 3.9Å; A567-R592 HydrophobicContact CB-CG 3.81Å; D568-R592 IonicContact OD1-CZ 3.54Å; D568-R592 VanDerWaalsContact OD1-CZ 3.26Å; D568-R592 IonicContact OD1-NE 2.67Å; D568-R592 PolarHBondContact OD1-NE 3.18Å; D568-R592 IonicContact OD1-NH2 3.2Å; D568-R592 PolarHBondContact OD1-NH2 2.94Å; D568-R592 IonicContact OD2-CZ 2.78Å; D568-R592 IonicContact OD2-NH2 2.62Å; D568-R592 PolarHBondContact OD2-NH2 3.3Å; M571-R592 HydrophobicContact CE-CG 3.76Å; M571-R592 HydrophobicContact CG-CG 4.28Å; M571-R592 HydrophobicContact SD-CB 4.41Å; M571-R592 HydrophobicContact SD-CG 3.69Å; R588-R592 WeakPolarHBondContact O-CB 3.43Å; R588-R592 WeakPolarHBondContact O-CG 3.31Å; R588-R592 PolarHBondContact O-N 3.49Å; G589-R592 PolarHBondContact O-N 3.36Å; C590-R592 VanDerWaalsContact C-N 3.31Å; C590-R592 PolarHBondContact O-N 3.48Å; R592-S595 PolarHBondContact O-N 2.88Å; R592-S595 PolarHBondContact O-OG 3.48Å; R592-L596 PolarHBondContact O-N 3.37Å |
| 593 | A | 90.5 | Very high | 89.8 | Confident | 28 Ų | 28 | 47.1 Ų | 47.1 | 23% | 0.231 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -50 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G589 C590 S595 L596 A597 Y685 | G589-A593 PolarHBondContact O-N 3.27Å; C590-A593 PolarHBondContact O-N 3.03Å; A593-S595 VanDerWaalsContact C-N 3.31Å; A593-S595 PolarHBondContact O-N 3.31Å; A593-L596 PolarHBondContact O-N 2.92Å; A593-L596 VanDerWaalsContact O-N 3.14Å; A593-A597 PolarHBondContact O-N 2.88Å; A593-Y685 HydrophobicContact CB-CE2 4.41Å |
| 594 | L | 91.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.7 | -38.1 | 178.4 | -68.9 | 166.4 | 0 | 0 | 0 | 112.3 | F583 C590 L596 A597 L598 L678 F688 | F583-L594 HydrophobicContact CD1-CD1 3.99Å; F583-L594 HydrophobicContact CE1-CD1 3.9Å; C590-L594 WeakPolarHBondContact O-CB 3.34Å; C590-L594 VanDerWaalsContact O-CG 3.31Å; C590-L594 WeakPolarHBondContact O-CG 3.26Å; C590-L594 PolarHBondContact O-N 3.42Å; C590-L594 VanDerWaalsContact SG-CD1 3.56Å; L594-L596 PolarHBondContact O-N 3.31Å; L594-A597 PolarHBondContact O-N 3.19Å; L594-L598 PolarHBondContact O-N 3.28Å; L594-L598 VanDerWaalsContact O-N 3.17Å; L594-L678 HydrophobicContact CD2-CD1 3.61Å; L594-F688 HydrophobicContact CD1-CE1 4.23Å |
| 595 | S | 91.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -24.4 | 178.4 | 74.8 | 0 | 0 | 0 | 0 | 114.2 | A567 A570 M571 H574 L591 R592 A593 | A567-S595 PolarHBondContact O-OG 3.47Å; A570-S595 WeakPolarHBondContact CB-OG 3.31Å; M571-S595 WeakPolarHBondContact CG-OG 3.29Å; M571-S595 PolarHBondContact N-OG 3.25Å; H574-S595 PolarHBondContact CD2-O 2.89Å; L591-S595 VanDerWaalsContact O-CB 3.24Å; L591-S595 WeakPolarHBondContact O-CB 3.41Å; L591-S595 PolarHBondContact O-N 3.25Å; L591-S595 PolarHBondContact O-OG 2.95Å; R592-S595 PolarHBondContact O-N 2.88Å; R592-S595 PolarHBondContact O-OG 3.48Å; A593-S595 VanDerWaalsContact C-N 3.31Å; A593-S595 PolarHBondContact O-N 3.31Å |
| 596 | L | 89.1 | Confident | 89.8 | Confident | 78 Ų | 78 | 41 Ų | 41 | 41% | 0.408 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -85.8 | -15.8 | 174.8 | -63.5 | 171.8 | 0 | 0 | 0 | 112.8 | R566 A567 A570 R592 A593 L594 | R566-L596 HydrophobicContact CG-CD2 4.02Å; A567-L596 HydrophobicContact CB-CD1 4.12Å; A567-L596 HydrophobicContact CB-CG 4.43Å; A570-L596 HydrophobicContact CB-CD2 3.83Å; R592-L596 PolarHBondContact O-N 3.37Å; A593-L596 PolarHBondContact O-N 2.92Å; A593-L596 VanDerWaalsContact O-N 3.14Å; L594-L596 PolarHBondContact O-N 3.31Å |
| 597 | A | 89.3 | Confident | 89.6 | Confident | 14 Ų | 14 | 41.7 Ų | 41.7 | 12% | 0.116 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -92.3 | -13.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A593 L594 L673 | A593-A597 PolarHBondContact O-N 2.88Å; L594-A597 PolarHBondContact O-N 3.19Å; A597-L673 HydrophobicContact CB-CD1 3.93Å |
| 598 | L | 89.9 | Confident | 89.5 | Confident | 12 Ų | 12 | 43.4 Ų | 43.4 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 140.7 | 171.8 | -75.7 | 169.9 | 0 | 0 | 0 | 111.2 | H574 V577 L578 L594 C672 L673 | H574-L598 HydrophobicContact CB-CD1 3.53Å; V577-L598 HydrophobicContact CB-CD1 4.31Å; V577-L598 HydrophobicContact CG1-CD1 4.05Å; V577-L598 HydrophobicContact CG1-CD2 4.3Å; L578-L598 HydrophobicContact CD2-CD1 4.34Å; L594-L598 PolarHBondContact O-N 3.28Å; L594-L598 VanDerWaalsContact O-N 3.17Å; L598-C672 WeakPolarHBondContact CA-O 3.5Å; L598-L673 HydrophobicContact CD2-CB 3.67Å; L598-L673 HydrophobicContact CD2-CD1 4.05Å; L598-L673 HydrophobicContact CD2-CD2 4.48Å; L598-L673 HydrophobicContact CD2-CG 4.27Å; L598-L673 HydrophobicContact CG-CD1 4.17Å |
| 599 | R | 87.4 | Confident | 89.6 | Confident | 137 Ų | 137 | 39.1 Ų | 39.1 | 52% | 0.517 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 147.6 | 173.7 | -58.7 | -174.3 | -171.7 | -161.9 | 3.1 | 110.4 | Q671 C672 Q674 | R599-Q671 WeakPolarHBondContact O-CA 3.35Å; R599-C672 PolarHBondContact N-O 3.42Å; R599-C672 PolarHBondContact O-N 2.97Å; R599-C672 PolarHBondContact O-SG 2.96Å; R599-Q674 VanDerWaalsContact CZ-OE1 3.22Å; R599-Q674 VanDerWaalsContact NE-OE1 3.14Å; R599-Q674 VanDerWaalsContact NH2-OE1 3.09Å |
| 600 | P | 86.5 | Confident | 89.7 | Confident | 91 Ų | 91 | 38.2 Ų | 38.2 | 59% | 0.591 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 143.9 | 169 | 30.9 | -33.9 | 0 | 0 | 0 | 110.5 | ||
| 601 | A | 87.3 | Confident | 89.8 | Confident | 24 Ų | 24 | 42.3 Ų | 42.3 | 20% | 0.198 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 157.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | L670 C672 | A601-L670 HydrophobicContact CB-CB 4.15Å; A601-L670 PolarHBondContact N-O 2.98Å; A601-L670 PolarHBondContact O-N 3.42Å; A601-L670 VanDerWaalsContact O-O 3.13Å; A601-C672 HydrophobicContact CB-CB 4.5Å |
| 602 | F | 86.1 | Confident | 89.8 | Confident | 40 Ų | 40 | 45.4 Ų | 45.4 | 18% | 0.175 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 143.9 | -174.4 | -178.9 | -102.7 | 0 | 0 | 0 | 109.8 | Y541 A544 T604 Y667 C668 V669 | Y541-F602 HydrophobicContact CD2-CD1 4Å; Y541-F602 HydrophobicContact CE2-CB 4.45Å; A544-F602 HydrophobicContact CB-CE1 3.77Å; A544-F602 HydrophobicContact CB-CE2 3.84Å; A544-F602 HydrophobicContact CB-CZ 3.32Å; F602-T604 HydrophobicContact CD1-CG2 4.46Å; F602-T604 HydrophobicContact CE1-CG2 3.74Å; F602-T604 HydrophobicContact CZ-CG2 4.47Å; F602-Y667 HydrophobicContact CE1-CD1 4.36Å; F602-Y667 HydrophobicContact CE2-CD1 4.34Å; F602-Y667 AromaticContact CZ-CD1 3.61Å; F602-Y667 HydrophobicContact CZ-CD1 3.61Å; F602-Y667 HydrophobicContact CZ-CE1 4.37Å; F602-Y667 HydrophobicContact CZ-CG 4.41Å; F602-C668 WeakPolarHBondContact CA-O 3.38Å; F602-C668 WeakPolarHBondContact CD2-O 3.44Å; F602-V669 HydrophobicContact CD2-CG2 4.38Å |
| 603 | C | 88.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 131.9 | -179.7 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | E607 L609 M627 C668 | C603-E607 PolarHBondContact SG-O 3.29Å; C603-L609 HydrophobicContact CB-CD1 4.48Å; C603-M627 HydrophobicContact CB-CE 4.34Å; C603-C668 HydrophobicContact CB-CB 4.28Å; C603-C668 PolarHBondContact N-O 3.18Å; C603-C668 VanDerWaalsContact N-O 3.16Å; C603-C668 PolarHBondContact O-N 2.92Å |
| 604 | T | 87.1 | Confident | 89.7 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | trans | -84.6 | 166.4 | 179.4 | 66.3 | 0 | 0 | 0 | 0 | 112.2 | F602 G606 E607 Y667 | F602-T604 HydrophobicContact CD1-CG2 4.46Å; F602-T604 HydrophobicContact CE1-CG2 3.74Å; F602-T604 HydrophobicContact CZ-CG2 4.47Å; T604-G606 PolarHBondContact O-N 3.06Å; T604-E607 PolarHBondContact N-OE2 2.94Å; T604-E607 WeakPolarHBondContact O-CB 3.44Å; T604-E607 PolarHBondContact O-N 3.5Å; T604-E607 WeakPolarHBondContact OG1-CB 3.41Å; T604-E607 PolarHBondContact OG1-OE2 3.46Å; T604-E607 VanDerWaalsContact OG1-OE2 3.14Å; T604-Y667 HydrophobicContact CG2-CD1 4.28Å; T604-Y667 HydrophobicContact CG2-CE1 4.06Å | ||
| 605 | P | 89.3 | Confident | 89.7 | Confident | 58 Ų | 58 | 48.5 Ų | 48.5 | 38% | 0.377 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 131.3 | 168.7 | -21.2 | 30.8 | 0 | 0 | 0 | 111.3 | E607 Y667 | P605-E607 VanDerWaalsContact C-N 3.26Å; P605-E607 PolarHBondContact O-N 3.44Å; P605-Y667 VanDerWaalsContact CD-CD1 3.47Å; P605-Y667 VanDerWaalsContact CD-CE1 3.47Å; P605-Y667 HydrophobicContact CG-CD1 4.32Å; P605-Y667 HydrophobicContact CG-CD2 4.11Å; P605-Y667 HydrophobicContact CG-CE1 4.29Å; P605-Y667 HydrophobicContact CG-CE2 4.07Å; P605-Y667 HydrophobicContact CG-CG 4.24Å |
| 606 | G | 86.9 | Confident | 89.6 | Confident | 44 Ų | 44 | 49.1 Ų | 49.1 | 45% | 0.454 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -12.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | T604 G664 | T604-G606 PolarHBondContact O-N 3.06Å; G606-G664 PolarHBondContact N-O 2.77Å |
| 607 | E | 88.4 | Confident | 89.5 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 14% | 0.136 | 29% | 0.289 | C | S | . | . | trans | -79.8 | 137.9 | -178.1 | 176.6 | -179.8 | 150.2 | 0 | 0 | 112.3 | R537 C603 T604 P605 K663 G664 | R537-E607 IonicContact CZ-OE1 3.86Å; R537-E607 IonicContact CZ-OE2 2.94Å; R537-E607 IonicContact NE-OE1 3.25Å; R537-E607 PolarHBondContact NE-OE1 2.93Å; R537-E607 IonicContact NE-OE2 2.71Å; R537-E607 PolarHBondContact NE-OE2 3.16Å; R537-E607 IonicContact NH2-OE1 2.76Å; R537-E607 PolarHBondContact NH2-OE1 3.39Å; R537-E607 IonicContact NH2-OE2 3.95Å; C603-E607 PolarHBondContact SG-O 3.29Å; T604-E607 PolarHBondContact N-OE2 2.94Å; T604-E607 WeakPolarHBondContact O-CB 3.44Å; T604-E607 PolarHBondContact O-N 3.5Å; T604-E607 WeakPolarHBondContact OG1-CB 3.41Å; T604-E607 PolarHBondContact OG1-OE2 3.46Å; T604-E607 VanDerWaalsContact OG1-OE2 3.14Å; P605-E607 VanDerWaalsContact C-N 3.26Å; P605-E607 PolarHBondContact O-N 3.44Å; E607-K663 CarbonylContact O-C 3.36Å; E607-K663 VanDerWaalsContact O-CA 3.24Å; E607-K663 WeakPolarHBondContact O-CA 3.3Å; E607-K663 WeakPolarHBondContact O-CG 3.42Å; E607-G664 PolarHBondContact O-N 3.13Å | ||
| 608 | Y | 91.5 | Very high | 89.6 | Confident | 92 Ų | 92 | 51.9 Ų | 51.9 | 36% | 0.361 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 126.8 | 169.4 | -66 | -88.5 | 0 | 0 | 0 | 110.6 | H611 L630 D661 V662 K663 | Y608-H611 WeakPolarHBondContact CB-CE1 3.43Å; Y608-H611 AromaticContact CD1-CE1 3.78Å; Y608-H611 AromaticContact CD1-ND1 3.97Å; Y608-H611 AromaticContact CD2-CE1 3.55Å; Y608-H611 AromaticContact CG-CE1 3.28Å; Y608-H611 AromaticContact CG-ND1 3.91Å; Y608-H611 AromaticContact CG-NE2 3.95Å; Y608-L630 HydrophobicContact CE1-CD1 4.11Å; Y608-D661 HydrophobicContact CD1-CB 3.86Å; Y608-D661 HydrophobicContact CE1-CB 3.8Å; Y608-V662 CarbonylContact C-O 3.45Å; Y608-V662 WeakPolarHBondContact CA-O 3.12Å; Y608-K663 HydrophobicContact CD1-CB 3.81Å; Y608-K663 HydrophobicContact CD1-CD 4.32Å; Y608-K663 HydrophobicContact CD1-CG 4.42Å; Y608-K663 HydrophobicContact CE1-CB 3.96Å; Y608-K663 HydrophobicContact CE1-CD 3.84Å; Y608-K663 HydrophobicContact CE1-CG 4.39Å; Y608-K663 HydrophobicContact CE2-CD 4.14Å; Y608-K663 HydrophobicContact CG-CB 4.39Å |
| 609 | L | 92.6 | Very high | 89.7 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 19% | 0.188 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -36.6 | 172.6 | -178.6 | 77.1 | 0 | 0 | 0 | 111.4 | C603 Y620 M627 V662 L670 | C603-L609 HydrophobicContact CB-CD1 4.48Å; L609-Y620 HydrophobicContact CD1-CD1 4.42Å; L609-Y620 HydrophobicContact CD1-CE1 4.03Å; L609-Y620 HydrophobicContact CD2-CD1 3.85Å; L609-Y620 HydrophobicContact CD2-CE1 4.05Å; L609-Y620 HydrophobicContact CD2-CG 4.09Å; L609-Y620 HydrophobicContact CG-CE1 4.26Å; L609-M627 HydrophobicContact CB-CE 3.83Å; L609-M627 HydrophobicContact CD2-CE 3.99Å; L609-M627 HydrophobicContact CD2-SD 4.36Å; L609-M627 HydrophobicContact CG-CE 4.48Å; L609-V662 PolarHBondContact N-O 3.47Å; L609-L670 HydrophobicContact CD1-CD1 3.77Å; L609-L670 HydrophobicContact CD2-CD1 3.56Å; L609-L670 HydrophobicContact CG-CD1 4.31Å |
| 610 | I | 93.3 | Very high | 90.1 | Very high | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.046 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 136.7 | -177.4 | -54.1 | 175.8 | 0 | 0 | 0 | 107.2 | D614 L616 Y620 A658 D661 V662 L704 | I610-D614 HydrophobicContact CG2-CB 4.02Å; I610-L616 HydrophobicContact CD1-CD2 4.08Å; I610-L616 HydrophobicContact CG2-CD2 4.11Å; I610-Y620 HydrophobicContact CD1-CD2 4.18Å; I610-Y620 HydrophobicContact CD1-CE2 3.88Å; I610-A658 HydrophobicContact CG2-CB 3.65Å; I610-D661 CarbonylContact O-C 3.57Å; I610-D661 WeakPolarHBondContact O-CA 3.5Å; I610-V662 HydrophobicContact CB-CB 4.32Å; I610-V662 HydrophobicContact CB-CG2 4.38Å; I610-V662 PolarHBondContact N-O 3.43Å; I610-V662 PolarHBondContact O-N 3.19Å; I610-L704 HydrophobicContact CD1-CD1 3.59Å |
| 611 | H | 93.8 | Very high | 90.4 | Very high | 86 Ų | 86 | 43.1 Ų | 43.1 | 40% | 0.398 | 24% | 0.24 | S | C | . | . | trans | -100.4 | 152.6 | 172.6 | -77.4 | -64.8 | 0 | 0 | 0 | 113.2 | Y608 G613 D614 A658 D661 | Y608-H611 WeakPolarHBondContact CB-CE1 3.43Å; Y608-H611 AromaticContact CD1-CE1 3.78Å; Y608-H611 AromaticContact CD1-ND1 3.97Å; Y608-H611 AromaticContact CD2-CE1 3.55Å; Y608-H611 AromaticContact CG-CE1 3.28Å; Y608-H611 AromaticContact CG-ND1 3.91Å; Y608-H611 AromaticContact CG-NE2 3.95Å; H611-G613 PolarHBondContact O-N 2.87Å; H611-G613 VanDerWaalsContact O-N 3.15Å; H611-D614 WeakPolarHBondContact CB-OD2 3.4Å; H611-D614 PolarHBondContact N-OD2 3.19Å; H611-D614 VanDerWaalsContact O-CB 3.31Å; H611-D614 WeakPolarHBondContact O-CB 3.28Å; H611-D614 PolarHBondContact O-N 2.83Å; H611-A658 WeakPolarHBondContact O-CB 3.46Å; H611-D661 VanDerWaalsContact CA-OD1 3.23Å; H611-D661 WeakPolarHBondContact CA-OD1 3.49Å; H611-D661 IonicContact CG-OD1 3.77Å; H611-D661 IonicContact ND1-OD1 3.29Å; H611-D661 PolarHBondContact ND1-OD1 2.95Å; H611-D661 VanDerWaalsContact ND1-OD1 3.07Å | ||
| 612 | Q | 92.6 | Very high | 90.7 | Very high | 101 Ų | 101 | 42 Ų | 42 | 47% | 0.472 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 119.4 | 173.7 | -176.1 | 179.5 | -29.1 | 0 | 0 | 110.4 | D661 | Q612-D661 PolarHBondContact N-OD1 3.46Š|
| 613 | G | 89.2 | Confident | 90.9 | Very high | 36 Ų | 36 | 40.7 Ų | 40.7 | 37% | 0.371 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 103.7 | -13.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | H611 A658 | H611-G613 PolarHBondContact O-N 2.87Å; H611-G613 VanDerWaalsContact O-N 3.15Å; G613-A658 PolarHBondContact N-O 3.19Å |
| 614 | D | 92.1 | Very high | 91 | Very high | 72 Ų | 72 | 43.8 Ų | 43.8 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -61.5 | 146.9 | 179.1 | -80.9 | -13.8 | 0 | 0 | 0 | 112.6 | I610 H611 L616 K657 A658 | I610-D614 HydrophobicContact CG2-CB 4.02Å; H611-D614 WeakPolarHBondContact CB-OD2 3.4Å; H611-D614 PolarHBondContact N-OD2 3.19Å; H611-D614 VanDerWaalsContact O-CB 3.31Å; H611-D614 WeakPolarHBondContact O-CB 3.28Å; H611-D614 PolarHBondContact O-N 2.83Å; D614-L616 PolarHBondContact O-N 2.89Å; D614-K657 CarbonylContact O-C 3.58Å; D614-K657 VanDerWaalsContact O-CA 3.25Å; D614-K657 WeakPolarHBondContact O-CA 3.4Å; D614-A658 PolarHBondContact O-N 3.37Å |
| 615 | A | 90.5 | Very high | 91.2 | Very high | 48 Ų | 48 | 44.4 Ų | 44.4 | 40% | 0.397 | 26% | 0.256 | S | S | . | . | B | Isolated β-bridge | trans | -69.5 | 116.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q617 V655 | A615-Q617 PolarHBondContact O-N 3.11Å; A615-V655 HydrophobicContact CB-CG1 3.47Å; A615-V655 VanDerWaalsContact CB-CG1 3.47Å |
| 616 | L | 89.8 | Confident | 91.5 | Very high | 14 Ų | 14 | 43.1 Ų | 43.1 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 117.9 | 176.1 | -63.4 | 174.9 | 0 | 0 | 0 | 109.7 | I610 D614 C647 V656 A658 L675 L704 | I610-L616 HydrophobicContact CD1-CD2 4.08Å; I610-L616 HydrophobicContact CG2-CD2 4.11Å; D614-L616 PolarHBondContact O-N 2.89Å; L616-C647 HydrophobicContact CD1-CB 3.68Å; L616-V656 HydrophobicContact CD1-CB 4.45Å; L616-V656 HydrophobicContact CD1-CG1 3.96Å; L616-V656 PolarHBondContact N-O 2.82Å; L616-A658 HydrophobicContact CD2-CB 3.92Å; L616-A658 HydrophobicContact CG-CB 4.34Å; L616-L675 WeakPolarHBondContact O-CD1 3.14Å; L616-L704 HydrophobicContact CD1-CB 3.69Å; L616-L704 HydrophobicContact CD2-CB 4.11Å; L616-L704 HydrophobicContact CD2-CD1 3.84Å |
| 617 | Q | 87.6 | Confident | 91.9 | Very high | 146 Ų | 146 | 41 Ų | 41 | 68% | 0.682 | 23% | 0.227 | S | C | * | . | trans | -113.4 | -9.5 | -177.5 | -65 | -179.3 | 19.4 | 0 | 0 | 113.9 | A615 L675 | A615-Q617 PolarHBondContact O-N 3.11Å; Q617-L675 WeakPolarHBondContact O-CB 3.38Å; Q617-L675 PolarHBondContact O-N 3.03Å | ||
| 618 | A | 91.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 157.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y620 C672 L673 | A618-Y620 HydrophobicContact CB-CD2 4.41Å; A618-Y620 HydrophobicContact CB-CE2 3.85Å; A618-C672 HydrophobicContact CB-CB 4.1Å; A618-L673 VanDerWaalsContact CA-O 3.23Å; A618-L673 WeakPolarHBondContact CA-O 3.47Å; A618-L673 WeakPolarHBondContact CB-O 3.26Å |
| 619 | L | 92.2 | Very high | 92.5 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 140.3 | 159.5 | -53.7 | 177.3 | 0 | 0 | 0 | 108.1 | C672 L673 L675 L678 F692 L696 | L619-C672 CarbonylContact O-C 3.5Å; L619-C672 VanDerWaalsContact O-CA 3.26Å; L619-C672 WeakPolarHBondContact O-CA 3.28Å; L619-L673 PolarHBondContact N-O 3.2Å; L619-L673 PolarHBondContact O-N 2.97Å; L619-L675 HydrophobicContact CD2-CD2 4.17Å; L619-L675 HydrophobicContact CG-CD2 4.03Å; L619-L678 HydrophobicContact CD1-CD2 3.77Å; L619-L678 HydrophobicContact CG-CD2 4.42Å; L619-F692 HydrophobicContact CD1-CZ 4.43Å; L619-L696 HydrophobicContact CD1-CD1 3.97Å; L619-L696 HydrophobicContact CD1-CD2 3.79Å; L619-L696 HydrophobicContact CD2-CD2 4.31Å |
| 620 | Y | 94.1 | Very high | 92.6 | Very high | 41 Ų | 41 | 35.2 Ų | 35.2 | 16% | 0.161 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 126.9 | -178.1 | -64.1 | -99.7 | 0 | 0 | 0 | 110.5 | L609 I610 A618 I645 L670 C672 | L609-Y620 HydrophobicContact CD1-CD1 4.42Å; L609-Y620 HydrophobicContact CD1-CE1 4.03Å; L609-Y620 HydrophobicContact CD2-CD1 3.85Å; L609-Y620 HydrophobicContact CD2-CE1 4.05Å; L609-Y620 HydrophobicContact CD2-CG 4.09Å; L609-Y620 HydrophobicContact CG-CE1 4.26Å; I610-Y620 HydrophobicContact CD1-CD2 4.18Å; I610-Y620 HydrophobicContact CD1-CE2 3.88Å; A618-Y620 HydrophobicContact CB-CD2 4.41Å; A618-Y620 HydrophobicContact CB-CE2 3.85Å; Y620-I645 PolarHBondContact N-O 3.48Å; Y620-I645 PolarHBondContact O-N 3.42Å; Y620-L670 HydrophobicContact CD1-CD1 4.22Å; Y620-C672 HydrophobicContact CD1-CB 3.63Å; Y620-C672 HydrophobicContact CE1-CB 3.67Å; Y620-C672 HydrophobicContact CG-CB 4.3Å |
| 621 | F | 93.9 | Very high | 92.6 | Very high | 11 Ų | 11 | 39.2 Ų | 39.2 | 5% | 0.048 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 131.8 | 172.7 | 176.7 | -103 | 0 | 0 | 0 | 110.3 | V577 L580 C623 G642 L644 L670 Q671 | V577-F621 HydrophobicContact CG2-CB 4.01Å; V577-F621 HydrophobicContact CG2-CD1 3.4Å; V577-F621 VanDerWaalsContact CG2-CD1 3.4Å; V577-F621 HydrophobicContact CG2-CE1 4.02Å; V577-F621 HydrophobicContact CG2-CG 3.86Å; L580-F621 HydrophobicContact CD1-CD2 3.83Å; L580-F621 HydrophobicContact CD1-CE2 3.83Å; L580-F621 HydrophobicContact CD2-CE2 3.89Å; L580-F621 HydrophobicContact CD2-CZ 4.41Å; L580-F621 HydrophobicContact CG-CE2 4.31Å; F621-C623 PolarHBondContact O-N 3.01Å; F621-G642 VanDerWaalsContact CE2-O 3.3Å; F621-G642 WeakPolarHBondContact CE2-O 3.13Å; F621-L644 HydrophobicContact CB-CD1 4.13Å; F621-L644 HydrophobicContact CD2-CD1 4.48Å; F621-L670 VanDerWaalsContact O-CA 3.3Å; F621-L670 WeakPolarHBondContact O-CA 3.25Å; F621-Q671 PolarHBondContact N-O 3.47Å; F621-Q671 PolarHBondContact O-N 2.96Å |
| 622 | V | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 101 | -178.2 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | G640 K641 G642 D643 I645 L670 | V622-G640 VanDerWaalsContact CB-O 3.27Å; V622-G640 WeakPolarHBondContact CB-O 3.5Å; V622-G640 VanDerWaalsContact CG1-O 3.3Å; V622-G640 WeakPolarHBondContact CG1-O 3.44Å; V622-K641 WeakPolarHBondContact O-CA 3.39Å; V622-G642 PolarHBondContact O-N 3.06Å; V622-D643 HydrophobicContact CG2-CB 4.43Å; V622-D643 PolarHBondContact N-O 3.2Å; V622-I645 HydrophobicContact CG2-CD1 3.91Å; V622-I645 HydrophobicContact CG2-CG1 4.31Å; V622-L670 HydrophobicContact CB-CD2 4.12Å; V622-L670 HydrophobicContact CG1-CD2 4.11Å; V622-L670 HydrophobicContact CG2-CD2 3.87Å |
| 623 | C | 89.9 | Confident | 91.9 | Very high | 12 Ų | 12 | 37 Ų | 37 | 8% | 0.081 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -30.1 | 179 | -58.3 | 0 | 0 | 0 | 0 | 113 | F621 K641 V669 Q671 | F621-C623 PolarHBondContact O-N 3.01Å; C623-K641 WeakPolarHBondContact O-CD 3.38Å; C623-K641 VanDerWaalsContact O-CE 3.3Å; C623-K641 WeakPolarHBondContact O-CE 3.45Å; C623-K641 WeakPolarHBondContact O-CG 3.09Å; C623-K641 PolarHBondContact O-NZ 3.44Å; C623-V669 WeakPolarHBondContact CA-O 3.45Å; C623-V669 HydrophobicContact CB-CG1 4.49Å; C623-V669 WeakPolarHBondContact CB-O 3.44Å; C623-V669 PolarHBondContact N-O 3.13Å; C623-Q671 VanDerWaalsContact SG-CG 3.59Å |
| 624 | S | 89.9 | Confident | 92 | Very high | 65 Ų | 65 | 39.5 Ų | 39.5 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 154.8 | 177.5 | -168.3 | 0 | 0 | 0 | 0 | 110.8 | C668 V669 | S624-C668 WeakPolarHBondContact O-CA 3.41Å; S624-V669 PolarHBondContact N-O 3.44Å; S624-V669 VanDerWaalsContact N-O 3.15Å; S624-V669 PolarHBondContact O-N 3.35Å |
| 625 | G | 91.6 | Very high | 92.2 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 24% | 0.237 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 94.3 | -166.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T666 | G625-T666 VanDerWaalsContact CA-OG1 3.32Å; G625-T666 WeakPolarHBondContact CA-OG1 3.33Å |
| 626 | S | 95.4 | Very high | 92.3 | Very high | 31 Ų | 31 | 41.1 Ų | 41.1 | 22% | 0.217 | 26% | 0.259 | C | S | . | . | trans | -148.3 | 143.3 | 178.4 | 54.7 | 0 | 0 | 0 | 0 | 111.5 | L639 L665 T666 C668 | S626-L639 CarbonylContact C-O 3.55Å; S626-L639 WeakPolarHBondContact CA-O 3.39Å; S626-L665 WeakPolarHBondContact O-CB 3.43Å; S626-L665 PolarHBondContact O-N 3.19Å; S626-T666 PolarHBondContact N-OG1 3.28Å; S626-T666 PolarHBondContact O-N 2.96Å; S626-T666 PolarHBondContact OG-OG1 2.85Å; S626-C668 PolarHBondContact N-SG 3.25Å; S626-C668 VanDerWaalsContact N-SG 3.45Å; S626-C668 PolarHBondContact O-SG 3.45Å | ||
| 627 | M | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 153.7 | -177.5 | -54.3 | -166.5 | 80.8 | 0 | 0 | 110.5 | C603 L609 I638 L639 I645 V662 K663 C668 L670 | C603-M627 HydrophobicContact CB-CE 4.34Å; L609-M627 HydrophobicContact CB-CE 3.83Å; L609-M627 HydrophobicContact CD2-CE 3.99Å; L609-M627 HydrophobicContact CD2-SD 4.36Å; L609-M627 HydrophobicContact CG-CE 4.48Å; M627-I638 CarbonylContact O-C 3.54Å; M627-I638 WeakPolarHBondContact O-CA 3.33Å; M627-L639 HydrophobicContact CB-CB 4.46Å; M627-L639 PolarHBondContact N-O 3.17Å; M627-L639 PolarHBondContact O-N 3.04Å; M627-I645 HydrophobicContact SD-CD1 4.14Å; M627-V662 HydrophobicContact CE-CG1 3.89Å; M627-V662 HydrophobicContact SD-CG1 4.25Å; M627-K663 CarbonylContact C-O 3.38Å; M627-K663 WeakPolarHBondContact CA-O 3.27Å; M627-K663 WeakPolarHBondContact CB-O 3.36Å; M627-C668 HydrophobicContact CG-CB 4.33Å; M627-C668 VanDerWaalsContact CG-SG 3.54Å; M627-C668 HydrophobicContact SD-CB 4.48Å; M627-L670 HydrophobicContact SD-CD1 4.13Å; M627-L670 HydrophobicContact SD-CD2 4.06Å |
| 628 | E | 95.9 | Very high | 92.9 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 11% | 0.107 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 143.2 | 169 | 60.7 | -175.7 | 169.2 | 0 | 0 | 110.4 | L630 V635 A637 K663 L665 | E628-L630 HydrophobicContact CG-CD1 4.07Å; E628-L630 HydrophobicContact CG-CG 4.11Å; E628-V635 HydrophobicContact CB-CG1 4.48Å; E628-A637 WeakPolarHBondContact CA-O 3.45Å; E628-K663 HydrophobicContact CG-CB 4Å; E628-K663 HydrophobicContact CG-CG 4.31Å; E628-K663 PolarHBondContact N-O 3.28Å; E628-K663 PolarHBondContact O-N 3.43Å; E628-K663 WeakPolarHBondContact OE1-CD 3.42Å; E628-K663 VanDerWaalsContact OE1-CE 3.26Å; E628-K663 WeakPolarHBondContact OE1-CE 3.34Å; E628-K663 IonicContact OE1-NZ 3.59Å; E628-K663 PolarHBondContact OE1-NZ 3.18Å; E628-L665 HydrophobicContact CB-CD1 4.19Å; E628-L665 HydrophobicContact CB-CD2 4.12Å; E628-L665 HydrophobicContact CB-CG 4.09Å; E628-L665 HydrophobicContact CG-CD2 3.88Å; E628-L665 HydrophobicContact CG-CG 4.15Å |
| 629 | V | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 122.3 | 170.3 | -175.6 | 0 | 0 | 0 | 0 | 107.7 | V635 L636 A637 L639 A660 D661 V662 Y702 | V629-V635 WeakPolarHBondContact O-CA 3.33Å; V629-L636 PolarHBondContact O-N 3.29Å; V629-A637 HydrophobicContact CB-CB 4.17Å; V629-A637 HydrophobicContact CG2-CB 4.14Å; V629-A637 PolarHBondContact N-O 3.01Å; V629-L639 HydrophobicContact CG2-CD1 3.46Å; V629-L639 VanDerWaalsContact CG2-CD1 3.46Å; V629-L639 HydrophobicContact CG2-CG 4.16Å; V629-A660 HydrophobicContact CG1-CB 3.63Å; V629-D661 CarbonylContact C-O 3.56Å; V629-D661 WeakPolarHBondContact CA-O 3.37Å; V629-V662 HydrophobicContact CG2-CG2 4.41Å; V629-Y702 HydrophobicContact CG1-CD1 4.07Å; V629-Y702 HydrophobicContact CG1-CD2 4.31Å; V629-Y702 HydrophobicContact CG1-CE1 3.76Å; V629-Y702 HydrophobicContact CG1-CE2 4Å; V629-Y702 HydrophobicContact CG1-CG 4.34Å; V629-Y702 HydrophobicContact CG2-CD2 4.42Å; V629-Y702 HydrophobicContact CG2-CG 4.25Å |
| 630 | L | 94.7 | Very high | 93.2 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 7% | 0.068 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 140.1 | -172.2 | -68.9 | 162.5 | 0 | 0 | 0 | 110.3 | Y608 E628 T634 V635 A660 D661 K663 | Y608-L630 HydrophobicContact CE1-CD1 4.11Å; E628-L630 HydrophobicContact CG-CD1 4.07Å; E628-L630 HydrophobicContact CG-CG 4.11Å; L630-T634 CarbonylContact C-O 3.49Å; L630-T634 WeakPolarHBondContact CA-O 3.39Å; L630-V635 HydrophobicContact CD2-CB 4.39Å; L630-V635 HydrophobicContact CD2-CG2 3.61Å; L630-A660 CarbonylContact O-C 3.57Å; L630-A660 WeakPolarHBondContact O-CA 3.41Å; L630-A660 WeakPolarHBondContact O-CB 3.35Å; L630-D661 HydrophobicContact CB-CB 4.24Å; L630-D661 PolarHBondContact N-O 3.11Å; L630-D661 PolarHBondContact O-N 2.85Å; L630-K663 HydrophobicContact CD1-CB 4.29Å; L630-K663 HydrophobicContact CD1-CD 3.93Å |
| 631 | K | 92.9 | Very high | 93.1 | Very high | 92 Ų | 92 | 45.2 Ų | 45.2 | 40% | 0.4 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 117.1 | 171.3 | -167.7 | 176.8 | -175.5 | 176.6 | 0 | 110.1 | G633 T634 L636 N659 A660 | K631-G633 PolarHBondContact O-N 2.65Å; K631-T634 PolarHBondContact N-O 3.21Å; K631-T634 PolarHBondContact O-N 3.28Å; K631-T634 VanDerWaalsContact O-N 3.08Å; K631-L636 HydrophobicContact CB-CD1 3.5Å; K631-L636 VanDerWaalsContact CB-CD1 3.5Å; K631-L636 HydrophobicContact CB-CG 3.99Å; K631-L636 HydrophobicContact CD-CD1 3.92Å; K631-L636 HydrophobicContact CG-CD1 4.36Å; K631-N659 WeakPolarHBondContact CD-O 3.24Å; K631-N659 VanDerWaalsContact CE-O 3.24Å; K631-N659 WeakPolarHBondContact CE-O 3.49Å; K631-A660 HydrophobicContact CB-CB 4.32Å |
| 632 | G | 86.5 | Confident | 93 | Very high | 75 Ų | 75 | 46.4 Ų | 46.4 | 77% | 0.773 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 31.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T634 | G632-T634 VanDerWaalsContact C-N 3.3Å; G632-T634 PolarHBondContact O-N 3.5Å |
| 633 | G | 85.6 | Confident | 92.9 | Very high | 65 Ų | 65 | 48.6 Ų | 48.6 | 67% | 0.67 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | -10.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | K631 | K631-G633 PolarHBondContact O-N 2.65Š|
| 634 | T | 92.8 | Very high | 93.1 | Very high | 89 Ų | 89 | 48.7 Ų | 48.7 | 55% | 0.546 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 129.5 | 177.9 | -57.7 | 0 | 0 | 0 | 0 | 111 | L630 K631 G632 L636 | L630-T634 CarbonylContact C-O 3.49Å; L630-T634 WeakPolarHBondContact CA-O 3.39Å; K631-T634 PolarHBondContact N-O 3.21Å; K631-T634 PolarHBondContact O-N 3.28Å; K631-T634 VanDerWaalsContact O-N 3.08Å; G632-T634 VanDerWaalsContact C-N 3.3Å; G632-T634 PolarHBondContact O-N 3.5Å; T634-L636 HydrophobicContact CG2-CD2 4.4Å; T634-L636 PolarHBondContact O-N 2.72Å |
| 635 | V | 94.8 | Very high | 93.2 | Very high | 70 Ų | 70 | 45.6 Ų | 45.6 | 42% | 0.424 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 119.7 | 171.5 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | E628 V629 L630 I638 | E628-V635 HydrophobicContact CB-CG1 4.48Å; V629-V635 WeakPolarHBondContact O-CA 3.33Å; L630-V635 HydrophobicContact CD2-CB 4.39Å; L630-V635 HydrophobicContact CD2-CG2 3.61Å; V635-I638 HydrophobicContact CG1-CG1 4.14Å |
| 636 | L | 93.1 | Very high | 93.1 | Very high | 85 Ų | 85 | 44.5 Ų | 44.5 | 45% | 0.445 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -32 | 177 | -62.1 | -172.2 | 0 | 0 | 0 | 112.9 | V629 K631 T634 Y702 | V629-L636 PolarHBondContact O-N 3.29Å; K631-L636 HydrophobicContact CB-CD1 3.5Å; K631-L636 VanDerWaalsContact CB-CD1 3.5Å; K631-L636 HydrophobicContact CB-CG 3.99Å; K631-L636 HydrophobicContact CD-CD1 3.92Å; K631-L636 HydrophobicContact CG-CD1 4.36Å; T634-L636 HydrophobicContact CG2-CD2 4.4Å; T634-L636 PolarHBondContact O-N 2.72Å; L636-Y702 HydrophobicContact CB-CE2 4.31Å; L636-Y702 WeakPolarHBondContact CD1-OH 3.37Å |
| 637 | A | 93.6 | Very high | 92.7 | Very high | 24 Ų | 24 | 43.1 Ų | 43.1 | 20% | 0.198 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 154.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | E628 V629 Y702 | E628-A637 WeakPolarHBondContact CA-O 3.45Å; V629-A637 HydrophobicContact CB-CB 4.17Å; V629-A637 HydrophobicContact CG2-CB 4.14Å; V629-A637 PolarHBondContact N-O 3.01Å; A637-Y702 HydrophobicContact CB-CD2 3.93Å; A637-Y702 HydrophobicContact CB-CE2 4.41Å |
| 638 | I | 95.4 | Very high | 92.2 | Very high | 117 Ų | 117 | 46.4 Ų | 46.4 | 60% | 0.6 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 131 | 164.5 | -61.3 | 175.4 | 0 | 0 | 0 | 106.6 | M627 V635 L665 | M627-I638 CarbonylContact O-C 3.54Å; M627-I638 WeakPolarHBondContact O-CA 3.33Å; V635-I638 HydrophobicContact CG1-CG1 4.14Å; I638-L665 HydrophobicContact CG2-CD1 4.02Å |
| 639 | L | 96.1 | Very high | 91.5 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 133.5 | -174.5 | -59.1 | 166.7 | 0 | 0 | 0 | 108.6 | S626 M627 V629 D643 I645 | S626-L639 CarbonylContact C-O 3.55Å; S626-L639 WeakPolarHBondContact CA-O 3.39Å; M627-L639 HydrophobicContact CB-CB 4.46Å; M627-L639 PolarHBondContact N-O 3.17Å; M627-L639 PolarHBondContact O-N 3.04Å; V629-L639 HydrophobicContact CG2-CD1 3.46Å; V629-L639 VanDerWaalsContact CG2-CD1 3.46Å; V629-L639 HydrophobicContact CG2-CG 4.16Å; L639-D643 WeakPolarHBondContact CA-OD2 3.39Å; L639-D643 HydrophobicContact CB-CB 4.1Å; L639-D643 HydrophobicContact CD2-CB 4Å; L639-I645 HydrophobicContact CD1-CD1 3.65Å; L639-I645 HydrophobicContact CD1-CG1 3.89Å; L639-I645 HydrophobicContact CD1-CG2 4.28Å |
| 640 | G | 94.8 | Very high | 90.2 | Very high | 23 Ų | 23 | 48 Ų | 48 | 24% | 0.237 | 30% | 0.3 | C | S | . | . | trans | -124.6 | -168.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V622 G642 D643 | V622-G640 VanDerWaalsContact CB-O 3.27Å; V622-G640 WeakPolarHBondContact CB-O 3.5Å; V622-G640 VanDerWaalsContact CG1-O 3.3Å; V622-G640 WeakPolarHBondContact CG1-O 3.44Å; G640-G642 PolarHBondContact O-N 2.95Å; G640-D643 PolarHBondContact N-OD2 3.03Å; G640-D643 PolarHBondContact O-N 3.26Å; G640-D643 VanDerWaalsContact O-N 3.16Å | ||
| 641 | K | 93.1 | Very high | 88.7 | Confident | 126 Ų | 126 | 59.5 Ų | 59.5 | 55% | 0.548 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 124.9 | 176.9 | 176.4 | 170.7 | -176.7 | 133.5 | 0 | 110.6 | E576 V622 C623 | E576-K641 IonicContact OE1-NZ 3.2Å; E576-K641 PolarHBondContact OE1-NZ 3.22Å; E576-K641 IonicContact OE2-NZ 2.74Å; E576-K641 PolarHBondContact OE2-NZ 3.33Å; V622-K641 WeakPolarHBondContact O-CA 3.39Å; C623-K641 WeakPolarHBondContact O-CD 3.38Å; C623-K641 VanDerWaalsContact O-CE 3.3Å; C623-K641 WeakPolarHBondContact O-CE 3.45Å; C623-K641 WeakPolarHBondContact O-CG 3.09Å; C623-K641 PolarHBondContact O-NZ 3.44Å |
| 642 | G | 90.1 | Very high | 87.2 | Confident | 37 Ų | 37 | 65.1 Ų | 65.1 | 38% | 0.381 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.6 | -12.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | F621 V622 G640 | F621-G642 VanDerWaalsContact CE2-O 3.3Å; F621-G642 WeakPolarHBondContact CE2-O 3.13Å; V622-G642 PolarHBondContact O-N 3.06Å; G640-G642 PolarHBondContact O-N 2.95Å |
| 643 | D | 93.3 | Very high | 86.2 | Confident | 46 Ų | 46 | 71.3 Ų | 71.3 | 25% | 0.246 | 37% | 0.37 | C | S | . | . | trans | -77 | 146.4 | -179.4 | -76.1 | -52 | 0 | 0 | 0 | 113.3 | V622 L639 G640 S701 | V622-D643 HydrophobicContact CG2-CB 4.43Å; V622-D643 PolarHBondContact N-O 3.2Å; L639-D643 WeakPolarHBondContact CA-OD2 3.39Å; L639-D643 HydrophobicContact CB-CB 4.1Å; L639-D643 HydrophobicContact CD2-CB 4Å; G640-D643 PolarHBondContact N-OD2 3.03Å; G640-D643 PolarHBondContact O-N 3.26Å; G640-D643 VanDerWaalsContact O-N 3.16Å; D643-S701 WeakPolarHBondContact CA-OG 3.42Å; D643-S701 WeakPolarHBondContact CB-OG 3.48Å; D643-S701 WeakPolarHBondContact OD1-CB 3.38Å; D643-S701 PolarHBondContact OD1-OG 3.47Å | ||
| 644 | L | 93 | Very high | 85.5 | Confident | 14 Ų | 14 | 75.2 Ų | 75.2 | 7% | 0.073 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.6 | 179.2 | -173.3 | 67.9 | 0 | 0 | 0 | 110.6 | L582 F621 L696 E699 L700 S701 Y702 | L582-L644 HydrophobicContact CD2-CD2 4.11Å; F621-L644 HydrophobicContact CB-CD1 4.13Å; F621-L644 HydrophobicContact CD2-CD1 4.48Å; L644-L696 HydrophobicContact CD2-CD1 3.57Å; L644-E699 HydrophobicContact CD2-CB 4.35Å; L644-L700 HydrophobicContact CG-CD2 4.27Å; L644-S701 PolarHBondContact N-OG 3.4Å; L644-S701 PolarHBondContact O-N 2.9Å; L644-Y702 PolarHBondContact O-N 3.44Å |
| 645 | I | 93.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.5 | -173.5 | -30 | 179 | 0 | 0 | 0 | 109.3 | Y620 V622 M627 L639 V662 L704 | Y620-I645 PolarHBondContact N-O 3.48Å; Y620-I645 PolarHBondContact O-N 3.42Å; V622-I645 HydrophobicContact CG2-CD1 3.91Å; V622-I645 HydrophobicContact CG2-CG1 4.31Å; M627-I645 HydrophobicContact SD-CD1 4.14Å; L639-I645 HydrophobicContact CD1-CD1 3.65Å; L639-I645 HydrophobicContact CD1-CG1 3.89Å; L639-I645 HydrophobicContact CD1-CG2 4.28Å; I645-V662 HydrophobicContact CD1-CG1 4.34Å; I645-L704 HydrophobicContact CG2-CD1 3.76Å; I645-L704 HydrophobicContact CG2-CG 4.21Å |
| 646 | G | 89.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.9 | -143.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y702 N703 L704 | G646-Y702 PolarHBondContact N-O 3.31Å; G646-N703 CarbonylContact O-C 3.57Å; G646-N703 WeakPolarHBondContact O-CA 3.49Å; G646-L704 PolarHBondContact O-N 3.38Å |
| 647 | C | 87.1 | Confident | 84.3 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.007 | 37% | 0.371 | C | S | . | . | trans | -135.2 | 160.5 | 179.9 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | L616 V656 L696 | L616-C647 HydrophobicContact CD1-CB 3.68Å; C647-V656 HydrophobicContact CB-CG1 3.99Å; C647-L696 WeakPolarHBondContact O-CD2 3.32Å | ||
| 648 | E | 84.3 | Confident | 84.3 | Confident | 70 Ų | 70 | 75.7 Ų | 75.7 | 33% | 0.327 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 137.9 | 162.4 | -64.5 | -179.2 | -139.5 | 0 | 0 | 109.3 | R697 N703 | E648-R697 HydrophobicContact CG-CG 4.23Å; E648-R697 IonicContact OE1-CZ 3.69Å; E648-R697 IonicContact OE1-NE 3.26Å; E648-R697 PolarHBondContact OE1-NE 2.99Å; E648-R697 IonicContact OE1-NH2 2.66Å; E648-R697 PolarHBondContact OE1-NH2 3Å; E648-R697 WeakPolarHBondContact OE2-CD 3.36Å; E648-R697 IonicContact OE2-CZ 3.92Å; E648-R697 IonicContact OE2-NE 3.9Å; E648-R697 PolarHBondContact OE2-NE 2.96Å; E648-N703 PolarHBondContact OE1-ND2 3.42Å |
| 649 | L | 81 | Confident | 84.1 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 12% | 0.115 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 127.3 | -179.5 | -60.3 | 99.6 | 0 | 0 | 0 | 110.4 | L678 L682 F692 L696 | L649-L678 HydrophobicContact CD2-CD2 3.93Å; L649-L678 HydrophobicContact CD2-CG 4.11Å; L649-L682 HydrophobicContact CD2-CD1 3.71Å; L649-F692 HydrophobicContact CD1-CD1 3.9Å; L649-F692 HydrophobicContact CD1-CE1 3.76Å; L649-F692 HydrophobicContact CD2-CE1 4.39Å; L649-L696 HydrophobicContact CD1-CD2 3.52Å; L649-L696 HydrophobicContact CG-CD2 4.34Å |
| 650 | P | 69.1 | Low | 83.9 | Confident | 34 Ų | 34 | 70.9 Ų | 70.9 | 22% | 0.221 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 142.7 | 178.8 | 31 | -35.9 | 0 | 0 | 0 | 110.2 | R652 V656 | P650-R652 WeakPolarHBondContact CB-O 3.49Å; P650-R652 PolarHBondContact O-N 2.85Å; P650-V656 HydrophobicContact CB-CG2 4.16Å; P650-V656 HydrophobicContact CG-CG2 4.2Å |
| 651 | R | 63.6 | Low | 83.9 | Confident | 255 Ų | 255 | 71.2 Ų | 71.2 | 96% | 0.962 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -78.8 | 2.7 | 179.2 | -62.5 | -174.5 | -177.3 | -179 | 2.8 | 113.9 | ||
| 652 | R | 61.7 | Low | 84.1 | Confident | 210 Ų | 210 | 65.2 Ų | 65.2 | 79% | 0.792 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -149.4 | 169.7 | -179.4 | -72.9 | -176.5 | 170.6 | 168.8 | -4.3 | 107.6 | P650 Q654 | P650-R652 WeakPolarHBondContact CB-O 3.49Å; P650-R652 PolarHBondContact O-N 2.85Å; R652-Q654 PolarHBondContact O-N 3.08Å |
| 653 | E | 64.4 | Low | 84.3 | Confident | 204 Ų | 204 | 65.7 Ų | 65.7 | 95% | 0.953 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -71.7 | 39.5 | 177 | -59.1 | 174.5 | 161.3 | 0 | 0 | 113.4 | ||
| 654 | Q | 72.2 | Confident | 84.3 | Confident | 148 Ų | 148 | 63.5 Ų | 63.5 | 69% | 0.692 | 29% | 0.289 | S | S | * | . | trans | -89.4 | 120 | -178.7 | -170.9 | 171.3 | 8.6 | 0 | 0 | 110 | R652 V656 | R652-Q654 PolarHBondContact O-N 3.08Å; Q654-V656 PolarHBondContact O-N 3.2Å; Q654-V656 VanDerWaalsContact O-N 3.13Å | ||
| 655 | V | 79.4 | Confident | 84.4 | Confident | 99 Ų | 99 | 66 Ų | 66 | 60% | 0.6 | 30% | 0.302 | S | S | * | . | trans | -64.7 | 111.8 | 177.7 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | A615 | A615-V655 HydrophobicContact CB-CG1 3.47Å; A615-V655 VanDerWaalsContact CB-CG1 3.47Å | ||
| 656 | V | 85.6 | Confident | 84.3 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 19% | 0.194 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 127 | 174.3 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | L616 C647 P650 Q654 G705 | L616-V656 HydrophobicContact CD1-CB 4.45Å; L616-V656 HydrophobicContact CD1-CG1 3.96Å; L616-V656 PolarHBondContact N-O 2.82Å; C647-V656 HydrophobicContact CB-CG1 3.99Å; P650-V656 HydrophobicContact CB-CG2 4.16Å; P650-V656 HydrophobicContact CG-CG2 4.2Å; Q654-V656 PolarHBondContact O-N 3.2Å; Q654-V656 VanDerWaalsContact O-N 3.13Å; V656-G705 VanDerWaalsContact CG1-CA 3.44Å |
| 657 | K | 90.1 | Very high | 84.2 | Confident | 142 Ų | 142 | 74.9 Ų | 74.9 | 62% | 0.617 | 34% | 0.343 | S | S | * | . | B | Isolated β-bridge | trans | -94.1 | 144.9 | 176.1 | -65.9 | -173.6 | 178 | -173.9 | 0 | 111.6 | D614 | D614-K657 CarbonylContact O-C 3.58Å; D614-K657 VanDerWaalsContact O-CA 3.25Å; D614-K657 WeakPolarHBondContact O-CA 3.4Å |
| 658 | A | 92.1 | Very high | 84.3 | Confident | 5 Ų | 5 | 74.8 Ų | 74.8 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 132 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I610 H611 G613 D614 L616 L704 | I610-A658 HydrophobicContact CG2-CB 3.65Å; H611-A658 WeakPolarHBondContact O-CB 3.46Å; G613-A658 PolarHBondContact N-O 3.19Å; D614-A658 PolarHBondContact O-N 3.37Å; L616-A658 HydrophobicContact CD2-CB 3.92Å; L616-A658 HydrophobicContact CG-CB 4.34Å; A658-L704 CarbonylContact C-O 3.54Å |
| 659 | N | 91.3 | Very high | 84.5 | Confident | 20 Ų | 20 | 74.2 Ų | 74.2 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -90.3 | -2.2 | -178.2 | 68.1 | 9.9 | 0 | 0 | 0 | 114.8 | K631 Y702 N703 L704 G707 | K631-N659 WeakPolarHBondContact CD-O 3.24Å; K631-N659 VanDerWaalsContact CE-O 3.24Å; K631-N659 WeakPolarHBondContact CE-O 3.49Å; N659-Y702 WeakPolarHBondContact OD1-CE1 3.29Å; N659-N703 PolarHBondContact ND2-O 2.91Å; N659-L704 VanDerWaalsContact CB-O 3.32Å; N659-L704 WeakPolarHBondContact CB-O 3.19Å; N659-L704 PolarHBondContact N-O 3.37Å; N659-L704 PolarHBondContact ND2-O 3.23Å; N659-L704 WeakPolarHBondContact OD1-CA 3.36Å; N659-L704 PolarHBondContact OD1-O 3.12Å; N659-G707 PolarHBondContact ND2-N 3.03Å |
| 660 | A | 93.4 | Very high | 85 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -159.7 | 157.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | V629 L630 K631 Y702 L704 | V629-A660 HydrophobicContact CG1-CB 3.63Å; L630-A660 CarbonylContact O-C 3.57Å; L630-A660 WeakPolarHBondContact O-CA 3.41Å; L630-A660 WeakPolarHBondContact O-CB 3.35Å; K631-A660 HydrophobicContact CB-CB 4.32Å; A660-Y702 HydrophobicContact CB-CE1 4.35Å; A660-L704 HydrophobicContact CB-CD2 4.34Å |
| 661 | D | 95.2 | Very high | 86.1 | Confident | 30 Ų | 30 | 72.9 Ų | 72.9 | 16% | 0.16 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 150.5 | 168 | -58.7 | -73.1 | 0 | 0 | 0 | 110.5 | Y608 I610 H611 Q612 V629 L630 | Y608-D661 HydrophobicContact CD1-CB 3.86Å; Y608-D661 HydrophobicContact CE1-CB 3.8Å; I610-D661 CarbonylContact O-C 3.57Å; I610-D661 WeakPolarHBondContact O-CA 3.5Å; H611-D661 VanDerWaalsContact CA-OD1 3.23Å; H611-D661 WeakPolarHBondContact CA-OD1 3.49Å; H611-D661 IonicContact CG-OD1 3.77Å; H611-D661 IonicContact ND1-OD1 3.29Å; H611-D661 PolarHBondContact ND1-OD1 2.95Å; H611-D661 VanDerWaalsContact ND1-OD1 3.07Å; Q612-D661 PolarHBondContact N-OD1 3.46Å; V629-D661 CarbonylContact C-O 3.56Å; V629-D661 WeakPolarHBondContact CA-O 3.37Å; L630-D661 HydrophobicContact CB-CB 4.24Å; L630-D661 PolarHBondContact N-O 3.11Å; L630-D661 PolarHBondContact O-N 2.85Å |
| 662 | V | 95.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 124.5 | 174 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | Y608 L609 I610 M627 V629 I645 L704 | Y608-V662 CarbonylContact C-O 3.45Å; Y608-V662 WeakPolarHBondContact CA-O 3.12Å; L609-V662 PolarHBondContact N-O 3.47Å; I610-V662 HydrophobicContact CB-CB 4.32Å; I610-V662 HydrophobicContact CB-CG2 4.38Å; I610-V662 PolarHBondContact N-O 3.43Å; I610-V662 PolarHBondContact O-N 3.19Å; M627-V662 HydrophobicContact CE-CG1 3.89Å; M627-V662 HydrophobicContact SD-CG1 4.25Å; V629-V662 HydrophobicContact CG2-CG2 4.41Å; I645-V662 HydrophobicContact CD1-CG1 4.34Å; V662-L704 HydrophobicContact CG2-CD1 3.98Å; V662-L704 HydrophobicContact CG2-CD2 3.64Å; V662-L704 HydrophobicContact CG2-CG 4.41Å |
| 663 | K | 94.7 | Very high | 88.9 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 20% | 0.204 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 140.9 | -168.4 | 171.9 | 174.5 | 161.7 | -133.2 | 0 | 112.6 | E607 Y608 M627 E628 L630 | E607-K663 CarbonylContact O-C 3.36Å; E607-K663 VanDerWaalsContact O-CA 3.24Å; E607-K663 WeakPolarHBondContact O-CA 3.3Å; E607-K663 WeakPolarHBondContact O-CG 3.42Å; Y608-K663 HydrophobicContact CD1-CB 3.81Å; Y608-K663 HydrophobicContact CD1-CD 4.32Å; Y608-K663 HydrophobicContact CD1-CG 4.42Å; Y608-K663 HydrophobicContact CE1-CB 3.96Å; Y608-K663 HydrophobicContact CE1-CD 3.84Å; Y608-K663 HydrophobicContact CE1-CG 4.39Å; Y608-K663 HydrophobicContact CE2-CD 4.14Å; Y608-K663 HydrophobicContact CG-CB 4.39Å; M627-K663 CarbonylContact C-O 3.38Å; M627-K663 WeakPolarHBondContact CA-O 3.27Å; M627-K663 WeakPolarHBondContact CB-O 3.36Å; E628-K663 HydrophobicContact CG-CB 4Å; E628-K663 HydrophobicContact CG-CG 4.31Å; E628-K663 PolarHBondContact N-O 3.28Å; E628-K663 PolarHBondContact O-N 3.43Å; E628-K663 WeakPolarHBondContact OE1-CD 3.42Å; E628-K663 VanDerWaalsContact OE1-CE 3.26Å; E628-K663 WeakPolarHBondContact OE1-CE 3.34Å; E628-K663 IonicContact OE1-NZ 3.59Å; E628-K663 PolarHBondContact OE1-NZ 3.18Å; L630-K663 HydrophobicContact CD1-CB 4.29Å; L630-K663 HydrophobicContact CD1-CD 3.93Å |
| 664 | G | 94.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 128.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G606 E607 | G606-G664 PolarHBondContact N-O 2.77Å; E607-G664 PolarHBondContact O-N 3.13Å |
| 665 | L | 93.7 | Very high | 90.9 | Very high | 67 Ų | 67 | 39.3 Ų | 39.3 | 35% | 0.351 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -87.7 | -33.5 | 166.6 | -66.7 | 171.7 | 0 | 0 | 0 | 111 | S626 E628 I638 | S626-L665 WeakPolarHBondContact O-CB 3.43Å; S626-L665 PolarHBondContact O-N 3.19Å; E628-L665 HydrophobicContact CB-CD1 4.19Å; E628-L665 HydrophobicContact CB-CD2 4.12Å; E628-L665 HydrophobicContact CB-CG 4.09Å; E628-L665 HydrophobicContact CG-CD2 3.88Å; E628-L665 HydrophobicContact CG-CG 4.15Å; I638-L665 HydrophobicContact CG2-CD1 4.02Å |
| 666 | T | 91.8 | Very high | 91.3 | Very high | 58 Ų | 58 | 38 Ų | 38 | 36% | 0.356 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -129.2 | 178 | 176.5 | 56.2 | 0 | 0 | 0 | 0 | 110.3 | G625 S626 C668 | G625-T666 VanDerWaalsContact CA-OG1 3.32Å; G625-T666 WeakPolarHBondContact CA-OG1 3.33Å; S626-T666 PolarHBondContact N-OG1 3.28Å; S626-T666 PolarHBondContact O-N 2.96Å; S626-T666 PolarHBondContact OG-OG1 2.85Å; T666-C668 PolarHBondContact O-N 3.49Å; T666-C668 PolarHBondContact O-SG 2.85Å |
| 667 | Y | 87.5 | Confident | 91.3 | Very high | 128 Ų | 128 | 37.3 Ų | 37.3 | 50% | 0.502 | 20% | 0.198 | S | C | . | . | trans | -62.7 | 109 | 168.8 | -67.8 | -73.1 | 0 | 0 | 0 | 109.9 | F602 T604 P605 | F602-Y667 HydrophobicContact CE1-CD1 4.36Å; F602-Y667 HydrophobicContact CE2-CD1 4.34Å; F602-Y667 AromaticContact CZ-CD1 3.61Å; F602-Y667 HydrophobicContact CZ-CD1 3.61Å; F602-Y667 HydrophobicContact CZ-CE1 4.37Å; F602-Y667 HydrophobicContact CZ-CG 4.41Å; T604-Y667 HydrophobicContact CG2-CD1 4.28Å; T604-Y667 HydrophobicContact CG2-CE1 4.06Å; P605-Y667 VanDerWaalsContact CD-CD1 3.47Å; P605-Y667 VanDerWaalsContact CD-CE1 3.47Å; P605-Y667 HydrophobicContact CG-CD1 4.32Å; P605-Y667 HydrophobicContact CG-CD2 4.11Å; P605-Y667 HydrophobicContact CG-CE1 4.29Å; P605-Y667 HydrophobicContact CG-CE2 4.07Å; P605-Y667 HydrophobicContact CG-CG 4.24Å | ||
| 668 | C | 89.4 | Confident | 91.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 128.3 | -175.2 | -64 | 0 | 0 | 0 | 0 | 110.9 | F602 C603 S624 S626 M627 T666 L670 | F602-C668 WeakPolarHBondContact CA-O 3.38Å; F602-C668 WeakPolarHBondContact CD2-O 3.44Å; C603-C668 HydrophobicContact CB-CB 4.28Å; C603-C668 PolarHBondContact N-O 3.18Å; C603-C668 VanDerWaalsContact N-O 3.16Å; C603-C668 PolarHBondContact O-N 2.92Å; S624-C668 WeakPolarHBondContact O-CA 3.41Å; S626-C668 PolarHBondContact N-SG 3.25Å; S626-C668 VanDerWaalsContact N-SG 3.45Å; S626-C668 PolarHBondContact O-SG 3.45Å; M627-C668 HydrophobicContact CG-CB 4.33Å; M627-C668 VanDerWaalsContact CG-SG 3.54Å; M627-C668 HydrophobicContact SD-CB 4.48Å; T666-C668 PolarHBondContact O-N 3.49Å; T666-C668 PolarHBondContact O-SG 2.85Å; C668-L670 HydrophobicContact CB-CD2 4.14Å; C668-L670 HydrophobicContact CB-CG 4.39Å |
| 669 | V | 88.6 | Confident | 91.1 | Very high | 58 Ų | 58 | 33.8 Ų | 33.8 | 35% | 0.352 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 118.6 | 171 | -179.2 | 0 | 0 | 0 | 0 | 107.3 | F602 C623 S624 | F602-V669 HydrophobicContact CD2-CG2 4.38Å; C623-V669 WeakPolarHBondContact CA-O 3.45Å; C623-V669 HydrophobicContact CB-CG1 4.49Å; C623-V669 WeakPolarHBondContact CB-O 3.44Å; C623-V669 PolarHBondContact N-O 3.13Å; S624-V669 PolarHBondContact N-O 3.44Å; S624-V669 VanDerWaalsContact N-O 3.15Å; S624-V669 PolarHBondContact O-N 3.35Å |
| 670 | L | 91.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 154.3 | -173.1 | -51.3 | 178.3 | 0 | 0 | 0 | 109.9 | A601 L609 Y620 F621 V622 M627 C668 | A601-L670 HydrophobicContact CB-CB 4.15Å; A601-L670 PolarHBondContact N-O 2.98Å; A601-L670 PolarHBondContact O-N 3.42Å; A601-L670 VanDerWaalsContact O-O 3.13Å; L609-L670 HydrophobicContact CD1-CD1 3.77Å; L609-L670 HydrophobicContact CD2-CD1 3.56Å; L609-L670 HydrophobicContact CG-CD1 4.31Å; Y620-L670 HydrophobicContact CD1-CD1 4.22Å; F621-L670 VanDerWaalsContact O-CA 3.3Å; F621-L670 WeakPolarHBondContact O-CA 3.25Å; V622-L670 HydrophobicContact CB-CD2 4.12Å; V622-L670 HydrophobicContact CG1-CD2 4.11Å; V622-L670 HydrophobicContact CG2-CD2 3.87Å; M627-L670 HydrophobicContact SD-CD1 4.13Å; M627-L670 HydrophobicContact SD-CD2 4.06Å; C668-L670 HydrophobicContact CB-CD2 4.14Å; C668-L670 HydrophobicContact CB-CG 4.39Å |
| 671 | Q | 91.9 | Very high | 90.9 | Very high | 28 Ų | 28 | 38.2 Ų | 38.2 | 13% | 0.131 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.4 | 162.4 | -72.5 | -179.4 | 26.2 | 0 | 0 | 108.5 | H574 V577 R599 F621 C623 | H574-Q671 VanDerWaalsContact ND1-CD 3.34Å; H574-Q671 PolarHBondContact ND1-OE1 2.72Å; V577-Q671 HydrophobicContact CG2-CB 3.94Å; V577-Q671 HydrophobicContact CG2-CG 4.49Å; R599-Q671 WeakPolarHBondContact O-CA 3.35Å; F621-Q671 PolarHBondContact N-O 3.47Å; F621-Q671 PolarHBondContact O-N 2.96Å; C623-Q671 VanDerWaalsContact SG-CG 3.59Å |
| 672 | C | 92.4 | Very high | 90.7 | Very high | 15 Ų | 15 | 37.3 Ų | 37.3 | 10% | 0.101 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 134.3 | 179.4 | 66.7 | 0 | 0 | 0 | 0 | 111.2 | L598 R599 A601 A618 L619 Y620 | L598-C672 WeakPolarHBondContact CA-O 3.5Å; R599-C672 PolarHBondContact N-O 3.42Å; R599-C672 PolarHBondContact O-N 2.97Å; R599-C672 PolarHBondContact O-SG 2.96Å; A601-C672 HydrophobicContact CB-CB 4.5Å; A618-C672 HydrophobicContact CB-CB 4.1Å; L619-C672 CarbonylContact O-C 3.5Å; L619-C672 VanDerWaalsContact O-CA 3.26Å; L619-C672 WeakPolarHBondContact O-CA 3.28Å; Y620-C672 HydrophobicContact CD1-CB 3.63Å; Y620-C672 HydrophobicContact CE1-CB 3.67Å; Y620-C672 HydrophobicContact CG-CB 4.3Å |
| 673 | L | 92.6 | Very high | 90.4 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 105.9 | 175.9 | -176.6 | 49 | 0 | 0 | 0 | 107.8 | F583 A597 L598 A618 L619 L675 L678 | F583-L673 HydrophobicContact CZ-CD2 4.2Å; A597-L673 HydrophobicContact CB-CD1 3.93Å; L598-L673 HydrophobicContact CD2-CB 3.67Å; L598-L673 HydrophobicContact CD2-CD1 4.05Å; L598-L673 HydrophobicContact CD2-CD2 4.48Å; L598-L673 HydrophobicContact CD2-CG 4.27Å; L598-L673 HydrophobicContact CG-CD1 4.17Å; A618-L673 VanDerWaalsContact CA-O 3.23Å; A618-L673 WeakPolarHBondContact CA-O 3.47Å; A618-L673 WeakPolarHBondContact CB-O 3.26Å; L619-L673 PolarHBondContact N-O 3.2Å; L619-L673 PolarHBondContact O-N 2.97Å; L673-L675 PolarHBondContact O-N 3.49Å; L673-L678 HydrophobicContact CD1-CB 4.48Å; L673-L678 HydrophobicContact CD2-CD1 4.07Å; L673-L678 HydrophobicContact CD2-CD2 4.21Å; L673-L678 HydrophobicContact CG-CB 4.21Å; L673-L678 HydrophobicContact CG-CD2 4.28Å |
| 674 | Q | 90.3 | Very high | 90.2 | Very high | 72 Ų | 72 | 44.9 Ų | 44.9 | 34% | 0.336 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 128.9 | -176 | -61.1 | -171.5 | -59.1 | 0 | 0 | 110.4 | R599 A676 G677 L678 | R599-Q674 VanDerWaalsContact CZ-OE1 3.22Å; R599-Q674 VanDerWaalsContact NE-OE1 3.14Å; R599-Q674 VanDerWaalsContact NH2-OE1 3.09Å; Q674-A676 VanDerWaalsContact C-N 3.26Å; Q674-A676 PolarHBondContact O-N 3.42Å; Q674-G677 PolarHBondContact O-N 2.9Å; Q674-L678 WeakPolarHBondContact O-CB 3.28Å; Q674-L678 PolarHBondContact O-N 3.5Å |
| 675 | L | 88.6 | Confident | 90.2 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 9% | 0.094 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.1 | -35.1 | -175.2 | -72.6 | 176.9 | 0 | 0 | 0 | 112.1 | L616 Q617 L619 L673 L678 H679 | L616-L675 WeakPolarHBondContact O-CD1 3.14Å; Q617-L675 WeakPolarHBondContact O-CB 3.38Å; Q617-L675 PolarHBondContact O-N 3.03Å; L619-L675 HydrophobicContact CD2-CD2 4.17Å; L619-L675 HydrophobicContact CG-CD2 4.03Å; L673-L675 PolarHBondContact O-N 3.49Å; L675-L678 HydrophobicContact CD2-CD2 4.13Å; L675-L678 PolarHBondContact O-N 2.86Å; L675-H679 WeakPolarHBondContact O-CB 3.26Å; L675-H679 PolarHBondContact O-CD2 3.44Å; L675-H679 PolarHBondContact O-N 3.16Å |
| 676 | A | 86.5 | Confident | 90 | Very high | 70 Ų | 70 | 49.6 Ų | 49.6 | 58% | 0.579 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59 | -61.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q674 L678 H679 D680 | Q674-A676 VanDerWaalsContact C-N 3.26Å; Q674-A676 PolarHBondContact O-N 3.42Å; A676-L678 PolarHBondContact O-N 3.48Å; A676-L678 VanDerWaalsContact O-N 3.16Å; A676-H679 PolarHBondContact O-N 2.87Å; A676-D680 VanDerWaalsContact O-CG 3.32Å; A676-D680 PolarHBondContact O-N 3.48Å |
| 677 | G | 86.6 | Confident | 89.9 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 19% | 0.186 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63 | -23.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q674 S681 | Q674-G677 PolarHBondContact O-N 2.9Å; G677-S681 VanDerWaalsContact O-CB 3.27Å; G677-S681 WeakPolarHBondContact O-CB 3.35Å; G677-S681 PolarHBondContact O-N 3.17Å; G677-S681 PolarHBondContact O-OG 3.46Å |
| 678 | L | 89.7 | Confident | 90.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.5 | -48.8 | 168.4 | 176.1 | 57.4 | 0 | 0 | 0 | 111.8 | L594 L619 L649 L673 Q674 L675 A676 D680 S681 L682 F692 | L594-L678 HydrophobicContact CD2-CD1 3.61Å; L619-L678 HydrophobicContact CD1-CD2 3.77Å; L619-L678 HydrophobicContact CG-CD2 4.42Å; L649-L678 HydrophobicContact CD2-CD2 3.93Å; L649-L678 HydrophobicContact CD2-CG 4.11Å; L673-L678 HydrophobicContact CD1-CB 4.48Å; L673-L678 HydrophobicContact CD2-CD1 4.07Å; L673-L678 HydrophobicContact CD2-CD2 4.21Å; L673-L678 HydrophobicContact CG-CB 4.21Å; L673-L678 HydrophobicContact CG-CD2 4.28Å; Q674-L678 WeakPolarHBondContact O-CB 3.28Å; Q674-L678 PolarHBondContact O-N 3.5Å; L675-L678 HydrophobicContact CD2-CD2 4.13Å; L675-L678 PolarHBondContact O-N 2.86Å; A676-L678 PolarHBondContact O-N 3.48Å; A676-L678 VanDerWaalsContact O-N 3.16Å; L678-D680 VanDerWaalsContact C-N 3.33Å; L678-D680 PolarHBondContact O-N 3.39Å; L678-S681 PolarHBondContact O-N 3.49Å; L678-L682 HydrophobicContact CD1-CD1 3.97Å; L678-L682 HydrophobicContact CD1-CD2 4.33Å; L678-L682 HydrophobicContact CD1-CG 3.89Å; L678-L682 HydrophobicContact CG-CD1 4.2Å; L678-L682 HydrophobicContact CG-CG 4.44Å; L678-L682 WeakPolarHBondContact O-CB 3.27Å; L678-L682 VanDerWaalsContact O-CG 3.29Å; L678-L682 WeakPolarHBondContact O-CG 3.41Å; L678-L682 PolarHBondContact O-N 3.09Å; L678-F692 HydrophobicContact CD1-CE1 3.81Å; L678-F692 HydrophobicContact CD1-CZ 3.81Å; L678-F692 HydrophobicContact CD2-CE1 3.91Å; L678-F692 HydrophobicContact CD2-CZ 4.08Å; L678-F692 HydrophobicContact CG-CE1 4.3Å |
| 679 | H | 88.8 | Confident | 90.1 | Very high | 73 Ų | 73 | 49 Ų | 49 | 34% | 0.338 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.4 | -43 | 175.2 | -83.6 | -73.3 | 0 | 0 | 0 | 111.4 | L675 A676 S681 L682 A683 | L675-H679 WeakPolarHBondContact O-CB 3.26Å; L675-H679 PolarHBondContact O-CD2 3.44Å; L675-H679 PolarHBondContact O-N 3.16Å; A676-H679 PolarHBondContact O-N 2.87Å; H679-S681 PolarHBondContact O-N 2.96Å; H679-L682 PolarHBondContact O-N 3.39Å; H679-A683 WeakPolarHBondContact O-CB 3.18Å; H679-A683 PolarHBondContact O-N 3.33Å |
| 680 | D | 89.3 | Confident | 90.1 | Very high | 105 Ų | 105 | 49.8 Ų | 49.8 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -58.9 | -47 | 173.6 | -61.9 | -34.2 | 0 | 0 | 0 | 111.5 | A676 L678 L682 A683 L684 | A676-D680 VanDerWaalsContact O-CG 3.32Å; A676-D680 PolarHBondContact O-N 3.48Å; L678-D680 VanDerWaalsContact C-N 3.33Å; L678-D680 PolarHBondContact O-N 3.39Å; D680-L682 PolarHBondContact O-N 3.46Å; D680-A683 PolarHBondContact O-N 2.55Å; D680-L684 WeakPolarHBondContact O-CG 3.29Å; D680-L684 PolarHBondContact O-N 3.27Å; D680-L684 VanDerWaalsContact O-N 3.14Å |
| 681 | S | 90.4 | Very high | 90 | Very high | 8 Ų | 8 | 56.6 Ų | 56.6 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 177 | -63.8 | 0 | 0 | 0 | 0 | 112.2 | G677 L678 H679 L684 Y685 | G677-S681 VanDerWaalsContact O-CB 3.27Å; G677-S681 WeakPolarHBondContact O-CB 3.35Å; G677-S681 PolarHBondContact O-N 3.17Å; G677-S681 PolarHBondContact O-OG 3.46Å; L678-S681 PolarHBondContact O-N 3.49Å; H679-S681 PolarHBondContact O-N 2.96Å; S681-L684 PolarHBondContact O-N 2.98Å; S681-Y685 VanDerWaalsContact O-CD2 3.29Å; S681-Y685 WeakPolarHBondContact O-CD2 3.46Å; S681-Y685 PolarHBondContact O-N 2.71Å |
| 682 | L | 89.9 | Confident | 89.9 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72.8 | -31.5 | 179 | -67.2 | -175.7 | 0 | 0 | 0 | 112.4 | L649 L678 H679 D680 L684 Y685 F688 A689 F692 | L649-L682 HydrophobicContact CD2-CD1 3.71Å; L678-L682 HydrophobicContact CD1-CD1 3.97Å; L678-L682 HydrophobicContact CD1-CD2 4.33Å; L678-L682 HydrophobicContact CD1-CG 3.89Å; L678-L682 HydrophobicContact CG-CD1 4.2Å; L678-L682 HydrophobicContact CG-CG 4.44Å; L678-L682 WeakPolarHBondContact O-CB 3.27Å; L678-L682 VanDerWaalsContact O-CG 3.29Å; L678-L682 WeakPolarHBondContact O-CG 3.41Å; L678-L682 PolarHBondContact O-N 3.09Å; H679-L682 PolarHBondContact O-N 3.39Å; D680-L682 PolarHBondContact O-N 3.46Å; L682-L684 VanDerWaalsContact C-N 3.32Å; L682-Y685 CarbonylContact O-C 3.59Å; L682-Y685 PolarHBondContact O-N 2.94Å; L682-F688 HydrophobicContact CD2-CD1 3.65Å; L682-F688 HydrophobicContact CD2-CE1 3.98Å; L682-A689 HydrophobicContact CB-CB 3.95Å; L682-A689 HydrophobicContact CD2-CB 4.39Å; L682-F692 HydrophobicContact CD1-CD1 3.6Å; L682-F692 HydrophobicContact CD1-CE1 4.02Å; L682-F692 HydrophobicContact CD1-CG 4.4Å; L682-F692 HydrophobicContact CD2-CB 4.24Å; L682-F692 HydrophobicContact CD2-CD1 4.16Å; L682-F692 HydrophobicContact CD2-CG 4.17Å; L682-F692 HydrophobicContact CG-CD1 4.48Å |
| 683 | A | 89.9 | Confident | 89.7 | Confident | 80 Ų | 80 | 57 Ų | 57 | 66% | 0.661 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65 | -35.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | H679 D680 Y685 | H679-A683 WeakPolarHBondContact O-CB 3.18Å; H679-A683 PolarHBondContact O-N 3.33Å; D680-A683 PolarHBondContact O-N 2.55Å; A683-Y685 VanDerWaalsContact C-N 3.31Å |
| 684 | L | 91.5 | Very high | 89.4 | Confident | 126 Ų | 126 | 66.1 Ų | 66.1 | 66% | 0.66 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -71.6 | -21.6 | 172.8 | -69.2 | 168.3 | 0 | 0 | 0 | 113.5 | D680 S681 L682 | D680-L684 WeakPolarHBondContact O-CG 3.29Å; D680-L684 PolarHBondContact O-N 3.27Å; D680-L684 VanDerWaalsContact O-N 3.14Å; S681-L684 PolarHBondContact O-N 2.98Å; L682-L684 VanDerWaalsContact C-N 3.32Å |
| 685 | Y | 93.1 | Very high | 89.3 | Confident | 74 Ų | 74 | 64 Ų | 64 | 29% | 0.29 | 35% | 0.351 | S | S | . | . | trans | -128.2 | 67.4 | -178.5 | -63.6 | -75 | 0 | 0 | 0 | 112.3 | S587 G589 C590 A593 S681 L682 A683 E687 F688 A689 | S587-Y685 WeakPolarHBondContact OG-CE1 3.31Å; G589-Y685 VanDerWaalsContact C-CZ 3.49Å; G589-Y685 WeakPolarHBondContact CA-OH 3.46Å; G589-Y685 PolarHBondContact O-OH 2.84Å; C590-Y685 HydrophobicContact CB-CD1 4.11Å; C590-Y685 HydrophobicContact CB-CD2 3.56Å; C590-Y685 HydrophobicContact CB-CE1 4.29Å; C590-Y685 HydrophobicContact CB-CE2 3.8Å; C590-Y685 HydrophobicContact CB-CG 3.75Å; A593-Y685 HydrophobicContact CB-CE2 4.41Å; S681-Y685 VanDerWaalsContact O-CD2 3.29Å; S681-Y685 WeakPolarHBondContact O-CD2 3.46Å; S681-Y685 PolarHBondContact O-N 2.71Å; L682-Y685 CarbonylContact O-C 3.59Å; L682-Y685 PolarHBondContact O-N 2.94Å; A683-Y685 VanDerWaalsContact C-N 3.31Å; Y685-E687 PolarHBondContact O-N 2.94Å; Y685-E687 VanDerWaalsContact O-N 3.15Å; Y685-F688 WeakPolarHBondContact O-CB 3.42Å; Y685-F688 PolarHBondContact O-N 3.38Å; Y685-A689 PolarHBondContact O-N 3.33Å; Y685-A689 VanDerWaalsContact O-N 3.12Å | ||
| 686 | P | 89.9 | Confident | 89.3 | Confident | 92 Ų | 92 | 63.1 Ų | 63.1 | 60% | 0.597 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23 | -175.2 | 25.6 | -35.5 | 0 | 0 | 0 | 114.1 | F688 P690 | P686-F688 VanDerWaalsContact C-N 3.29Å; P686-F688 PolarHBondContact O-N 3.48Å; P686-P690 WeakPolarHBondContact O-CD 3.21Å |
| 687 | E | 90.3 | Very high | 89.1 | Confident | 145 Ų | 145 | 68 Ų | 68 | 68% | 0.678 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -28.2 | 171 | -72.3 | -65.1 | 155.6 | 0 | 0 | 113.2 | Y685 R691 | Y685-E687 PolarHBondContact O-N 2.94Å; Y685-E687 VanDerWaalsContact O-N 3.15Å; E687-R691 PolarHBondContact O-NH1 2.87Å; E687-R691 IonicContact OE2-NH1 2.71Å |
| 688 | F | 91.9 | Very high | 88.9 | Confident | 7 Ų | 7 | 70.3 Ų | 70.3 | 3% | 0.031 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -39.2 | -178.6 | 179.6 | -116.2 | 0 | 0 | 0 | 111.7 | L582 F583 A585 A586 C590 L594 L682 Y685 P686 R691 F692 | L582-F688 WeakPolarHBondContact O-CZ 3.31Å; F583-F688 HydrophobicContact CD1-CZ 4.28Å; A585-F688 HydrophobicContact CB-CD2 4.3Å; A585-F688 HydrophobicContact CB-CE2 4.19Å; A585-F688 WeakPolarHBondContact O-CD2 3.33Å; A586-F688 HydrophobicContact CB-CD2 4.1Å; A586-F688 HydrophobicContact CB-CE1 4.14Å; A586-F688 HydrophobicContact CB-CE2 3.69Å; A586-F688 HydrophobicContact CB-CG 4.5Å; A586-F688 HydrophobicContact CB-CZ 3.71Å; C590-F688 VanDerWaalsContact SG-CD1 3.53Å; L594-F688 HydrophobicContact CD1-CE1 4.23Å; L682-F688 HydrophobicContact CD2-CD1 3.65Å; L682-F688 HydrophobicContact CD2-CE1 3.98Å; Y685-F688 WeakPolarHBondContact O-CB 3.42Å; Y685-F688 PolarHBondContact O-N 3.38Å; P686-F688 VanDerWaalsContact C-N 3.29Å; P686-F688 PolarHBondContact O-N 3.48Å; F688-R691 WeakPolarHBondContact O-CA 3.36Å; F688-R691 WeakPolarHBondContact O-CB 3.21Å; F688-R691 PolarHBondContact O-N 3.44Å; F688-F692 HydrophobicContact CD1-CB 4.15Å; F688-F692 HydrophobicContact CE1-CB 3.79Å; F688-F692 AromaticContact CE1-CD2 3.62Å; F688-F692 HydrophobicContact CE1-CD2 3.62Å; F688-F692 AromaticContact CE1-CG 3.95Å; F688-F692 HydrophobicContact CE1-CG 3.95Å; F688-F692 HydrophobicContact CE2-CB 4.35Å; F688-F692 HydrophobicContact CZ-CB 3.9Å; F688-F692 AromaticContact CZ-CD2 3.58Å; F688-F692 HydrophobicContact CZ-CD2 3.58Å; F688-F692 HydrophobicContact CZ-CG 4.15Å; F688-F692 PolarHBondContact O-N 3.24Å |
| 689 | A | 89.5 | Confident | 88.8 | Confident | 21 Ų | 21 | 73.8 Ų | 73.8 | 17% | 0.174 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -44.4 | -52.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L682 Y685 R691 F692 S693 | L682-A689 HydrophobicContact CB-CB 3.95Å; L682-A689 HydrophobicContact CD2-CB 4.39Å; Y685-A689 PolarHBondContact O-N 3.33Å; Y685-A689 VanDerWaalsContact O-N 3.12Å; A689-R691 VanDerWaalsContact C-N 3.27Å; A689-R691 PolarHBondContact O-N 2.86Å; A689-F692 PolarHBondContact O-N 2.67Å; A689-S693 PolarHBondContact O-N 2.96Å; A689-S693 PolarHBondContact O-OG 3.21Å; A689-S693 VanDerWaalsContact O-OG 3.14Å |
| 690 | P | 87.9 | Confident | 88.8 | Confident | 75 Ų | 75 | 71.4 Ų | 71.4 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -74.2 | -15.2 | -178.7 | 31.6 | -37.1 | 0 | 0 | 0 | 113.8 | P686 R694 | P686-P690 WeakPolarHBondContact O-CD 3.21Å; P690-R694 WeakPolarHBondContact O-CB 3.31Å |
| 691 | R | 88.2 | Confident | 88.9 | Confident | 144 Ų | 144 | 68.9 Ų | 68.9 | 54% | 0.543 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -80.4 | -49 | 170 | -63.4 | 178.7 | 170.3 | 106.1 | -6.2 | 109.6 | E687 F688 A689 R694 G695 | E687-R691 PolarHBondContact O-NH1 2.87Å; E687-R691 IonicContact OE2-NH1 2.71Å; F688-R691 WeakPolarHBondContact O-CA 3.36Å; F688-R691 WeakPolarHBondContact O-CB 3.21Å; F688-R691 PolarHBondContact O-N 3.44Å; A689-R691 VanDerWaalsContact C-N 3.27Å; A689-R691 PolarHBondContact O-N 2.86Å; R691-R694 WeakPolarHBondContact O-CB 3.15Å; R691-R694 PolarHBondContact O-N 3.45Å; R691-R694 VanDerWaalsContact O-N 3.16Å; R691-G695 PolarHBondContact O-N 2.93Å |
| 692 | F | 90.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 0% | 0.004 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57 | -52.8 | 177.6 | -178.4 | -94.4 | 0 | 0 | 0 | 112.3 | L582 F583 L619 L649 L678 L682 F688 A689 R694 G695 L696 | L582-F692 HydrophobicContact CD1-CD2 3.53Å; L582-F692 HydrophobicContact CD1-CE2 3.7Å; L582-F692 HydrophobicContact CD1-CG 4.13Å; L582-F692 HydrophobicContact CD1-CZ 4.4Å; L582-F692 WeakPolarHBondContact CD1-O 3.44Å; L582-F692 HydrophobicContact CD2-CD2 4.25Å; L582-F692 HydrophobicContact CD2-CE2 3.55Å; L582-F692 HydrophobicContact CD2-CZ 3.99Å; L582-F692 HydrophobicContact CG-CD2 3.64Å; L582-F692 HydrophobicContact CG-CE2 3.43Å; L582-F692 VanDerWaalsContact CG-CE2 3.43Å; L582-F692 HydrophobicContact CG-CZ 4.29Å; F583-F692 HydrophobicContact CD1-CE2 4.15Å; F583-F692 HydrophobicContact CE1-CD2 4.29Å; F583-F692 AromaticContact CE1-CE2 3.52Å; F583-F692 HydrophobicContact CE1-CE2 3.52Å; F583-F692 HydrophobicContact CE1-CZ 4.38Å; F583-F692 AromaticContact CZ-CE2 3.94Å; F583-F692 HydrophobicContact CZ-CE2 3.94Å; L619-F692 HydrophobicContact CD1-CZ 4.43Å; L649-F692 HydrophobicContact CD1-CD1 3.9Å; L649-F692 HydrophobicContact CD1-CE1 3.76Å; L649-F692 HydrophobicContact CD2-CE1 4.39Å; L678-F692 HydrophobicContact CD1-CE1 3.81Å; L678-F692 HydrophobicContact CD1-CZ 3.81Å; L678-F692 HydrophobicContact CD2-CE1 3.91Å; L678-F692 HydrophobicContact CD2-CZ 4.08Å; L678-F692 HydrophobicContact CG-CE1 4.3Å; L682-F692 HydrophobicContact CD1-CD1 3.6Å; L682-F692 HydrophobicContact CD1-CE1 4.02Å; L682-F692 HydrophobicContact CD1-CG 4.4Å; L682-F692 HydrophobicContact CD2-CB 4.24Å; L682-F692 HydrophobicContact CD2-CD1 4.16Å; L682-F692 HydrophobicContact CD2-CG 4.17Å; L682-F692 HydrophobicContact CG-CD1 4.48Å; F688-F692 HydrophobicContact CD1-CB 4.15Å; F688-F692 HydrophobicContact CE1-CB 3.79Å; F688-F692 AromaticContact CE1-CD2 3.62Å; F688-F692 HydrophobicContact CE1-CD2 3.62Å; F688-F692 AromaticContact CE1-CG 3.95Å; F688-F692 HydrophobicContact CE1-CG 3.95Å; F688-F692 HydrophobicContact CE2-CB 4.35Å; F688-F692 HydrophobicContact CZ-CB 3.9Å; F688-F692 AromaticContact CZ-CD2 3.58Å; F688-F692 HydrophobicContact CZ-CD2 3.58Å; F688-F692 HydrophobicContact CZ-CG 4.15Å; F688-F692 PolarHBondContact O-N 3.24Å; A689-F692 PolarHBondContact O-N 2.67Å; F692-R694 PolarHBondContact O-N 3.44Å; F692-R694 VanDerWaalsContact O-N 3.14Å; F692-G695 PolarHBondContact O-N 2.96Å; F692-G695 VanDerWaalsContact O-N 3.14Å; F692-L696 HydrophobicContact CE1-CD2 4.4Å; F692-L696 WeakPolarHBondContact O-CB 3.29Å; F692-L696 PolarHBondContact O-N 3.12Å |
| 693 | S | 88.3 | Confident | 89 | Confident | 50 Ų | 50 | 71.6 Ų | 71.6 | 35% | 0.35 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.6 | -23.6 | 178.9 | -53.5 | 0 | 0 | 0 | 0 | 113.6 | A689 | A689-S693 PolarHBondContact O-N 2.96Å; A689-S693 PolarHBondContact O-OG 3.21Å; A689-S693 VanDerWaalsContact O-OG 3.14Å |
| 694 | R | 86.9 | Confident | 88.9 | Confident | 198 Ų | 198 | 67.8 Ų | 67.8 | 75% | 0.747 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -81.8 | -41.6 | 174.9 | -169.1 | -172.4 | -53.6 | -174.5 | 1.7 | 111.8 | P690 R691 F692 | P690-R694 WeakPolarHBondContact O-CB 3.31Å; R691-R694 WeakPolarHBondContact O-CB 3.15Å; R691-R694 PolarHBondContact O-N 3.45Å; R691-R694 VanDerWaalsContact O-N 3.16Å; F692-R694 PolarHBondContact O-N 3.44Å; F692-R694 VanDerWaalsContact O-N 3.14Å |
| 695 | G | 86.5 | Confident | 88.4 | Confident | 27 Ų | 27 | 62.4 Ų | 62.4 | 28% | 0.278 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R691 F692 R697 G698 E699 | R691-G695 PolarHBondContact O-N 2.93Å; F692-G695 PolarHBondContact O-N 2.96Å; F692-G695 VanDerWaalsContact O-N 3.14Å; G695-R697 PolarHBondContact O-N 3.42Å; G695-R697 VanDerWaalsContact O-N 3.08Å; G695-G698 PolarHBondContact O-N 3.44Å; G695-E699 WeakPolarHBondContact O-CG 3.33Å; G695-E699 PolarHBondContact O-N 2.6Å |
| 696 | L | 89.4 | Confident | 87.4 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.2 | -34.7 | -178.3 | -177.1 | 63.6 | 0 | 0 | 0 | 112.5 | L582 L619 L644 C647 L649 F692 G698 E699 L700 | L582-L696 HydrophobicContact CD1-CB 4.02Å; L582-L696 VanDerWaalsContact CD1-N 3.35Å; L582-L696 HydrophobicContact CD2-CD1 3.98Å; L619-L696 HydrophobicContact CD1-CD1 3.97Å; L619-L696 HydrophobicContact CD1-CD2 3.79Å; L619-L696 HydrophobicContact CD2-CD2 4.31Å; L644-L696 HydrophobicContact CD2-CD1 3.57Å; C647-L696 WeakPolarHBondContact O-CD2 3.32Å; L649-L696 HydrophobicContact CD1-CD2 3.52Å; L649-L696 HydrophobicContact CG-CD2 4.34Å; F692-L696 HydrophobicContact CE1-CD2 4.4Å; F692-L696 WeakPolarHBondContact O-CB 3.29Å; F692-L696 PolarHBondContact O-N 3.12Å; L696-G698 PolarHBondContact O-N 3.18Å; L696-E699 PolarHBondContact O-N 3.1Å; L696-L700 HydrophobicContact CD1-CD1 4.25Å; L696-L700 HydrophobicContact CD1-CD2 4.16Å; L696-L700 HydrophobicContact CD1-CG 3.81Å; L696-L700 HydrophobicContact CG-CD1 3.92Å; L696-L700 HydrophobicContact CG-CG 4.01Å; L696-L700 WeakPolarHBondContact O-CB 3.31Å; L696-L700 VanDerWaalsContact O-CG 3.26Å; L696-L700 WeakPolarHBondContact O-CG 3.25Å; L696-L700 PolarHBondContact O-N 3.23Å |
| 697 | R | 83.2 | Confident | 85.9 | Confident | 171 Ų | 171 | 60.7 Ų | 60.7 | 65% | 0.645 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.6 | -23.1 | 177.4 | -164.9 | 172.3 | -157.7 | -120.2 | -3.4 | 114.1 | E648 G695 | E648-R697 HydrophobicContact CG-CG 4.23Å; E648-R697 IonicContact OE1-CZ 3.69Å; E648-R697 IonicContact OE1-NE 3.26Å; E648-R697 PolarHBondContact OE1-NE 2.99Å; E648-R697 IonicContact OE1-NH2 2.66Å; E648-R697 PolarHBondContact OE1-NH2 3Å; E648-R697 WeakPolarHBondContact OE2-CD 3.36Å; E648-R697 IonicContact OE2-CZ 3.92Å; E648-R697 IonicContact OE2-NE 3.9Å; E648-R697 PolarHBondContact OE2-NE 2.96Å; G695-R697 PolarHBondContact O-N 3.42Å; G695-R697 VanDerWaalsContact O-N 3.08Å |
| 698 | G | 82.3 | Confident | 83.9 | Confident | 67 Ų | 67 | 57.2 Ų | 57.2 | 69% | 0.691 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -96.9 | -25.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G695 L696 | G695-G698 PolarHBondContact O-N 3.44Å; L696-G698 PolarHBondContact O-N 3.18Å |
| 699 | E | 86.7 | Confident | 81.4 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 34% | 0.341 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -93.4 | -9.9 | -176.2 | -57.7 | -76.4 | 136.1 | 0 | 0 | 113.4 | P581 L582 L644 G695 L696 S701 | P581-E699 WeakPolarHBondContact CD-OE2 3.41Å; L582-E699 HydrophobicContact CB-CG 4.37Å; L644-E699 HydrophobicContact CD2-CB 4.35Å; G695-E699 WeakPolarHBondContact O-CG 3.33Å; G695-E699 PolarHBondContact O-N 2.6Å; L696-E699 PolarHBondContact O-N 3.1Å; E699-S701 PolarHBondContact O-N 3.49Å |
| 700 | L | 89.6 | Confident | 78.8 | Confident | 23 Ų | 23 | 63.4 Ų | 63.4 | 12% | 0.12 | 40% | 0.397 | C | S | . | . | trans | -72.9 | 104.4 | 174.7 | -84.4 | 167.9 | 0 | 0 | 0 | 111.5 | L644 L696 Y702 N703 | L644-L700 HydrophobicContact CG-CD2 4.27Å; L696-L700 HydrophobicContact CD1-CD1 4.25Å; L696-L700 HydrophobicContact CD1-CD2 4.16Å; L696-L700 HydrophobicContact CD1-CG 3.81Å; L696-L700 HydrophobicContact CG-CD1 3.92Å; L696-L700 HydrophobicContact CG-CG 4.01Å; L696-L700 WeakPolarHBondContact O-CB 3.31Å; L696-L700 VanDerWaalsContact O-CG 3.26Å; L696-L700 WeakPolarHBondContact O-CG 3.25Å; L696-L700 PolarHBondContact O-N 3.23Å; L700-Y702 PolarHBondContact O-N 2.96Å; L700-N703 HydrophobicContact CD1-CB 4.47Å | ||
| 701 | S | 90.8 | Very high | 76.2 | Confident | 52 Ų | 52 | 64.8 Ų | 64.8 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -58.3 | -32.8 | 172 | -50.8 | 0 | 0 | 0 | 0 | 112.9 | D643 L644 E699 | D643-S701 WeakPolarHBondContact CA-OG 3.42Å; D643-S701 WeakPolarHBondContact CB-OG 3.48Å; D643-S701 WeakPolarHBondContact OD1-CB 3.38Å; D643-S701 PolarHBondContact OD1-OG 3.47Å; L644-S701 PolarHBondContact N-OG 3.4Å; L644-S701 PolarHBondContact O-N 2.9Å; E699-S701 PolarHBondContact O-N 3.49Å |
| 702 | Y | 90.8 | Very high | 73.7 | Confident | 39 Ų | 39 | 65.5 Ų | 65.5 | 15% | 0.153 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 126.5 | 168.2 | -164.2 | -83.8 | 0 | 0 | 0 | 112.1 | V629 L636 A637 L644 G646 N659 A660 L700 L704 | V629-Y702 HydrophobicContact CG1-CD1 4.07Å; V629-Y702 HydrophobicContact CG1-CD2 4.31Å; V629-Y702 HydrophobicContact CG1-CE1 3.76Å; V629-Y702 HydrophobicContact CG1-CE2 4Å; V629-Y702 HydrophobicContact CG1-CG 4.34Å; V629-Y702 HydrophobicContact CG2-CD2 4.42Å; V629-Y702 HydrophobicContact CG2-CG 4.25Å; L636-Y702 HydrophobicContact CB-CE2 4.31Å; L636-Y702 WeakPolarHBondContact CD1-OH 3.37Å; A637-Y702 HydrophobicContact CB-CD2 3.93Å; A637-Y702 HydrophobicContact CB-CE2 4.41Å; L644-Y702 PolarHBondContact O-N 3.44Å; G646-Y702 PolarHBondContact N-O 3.31Å; N659-Y702 WeakPolarHBondContact OD1-CE1 3.29Å; A660-Y702 HydrophobicContact CB-CE1 4.35Å; L700-Y702 PolarHBondContact O-N 2.96Å; Y702-L704 HydrophobicContact CD1-CD2 3.8Å; Y702-L704 HydrophobicContact CD1-CG 4.07Å; Y702-L704 HydrophobicContact CE1-CD2 3.82Å; Y702-L704 HydrophobicContact CE1-CG 4.44Å |
| 703 | N | 90.9 | Very high | 71.1 | Confident | 37 Ų | 37 | 71 Ų | 71 | 20% | 0.198 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 96.6 | 178.3 | -174.9 | -6.7 | 0 | 0 | 0 | 111.1 | G646 E648 N659 L700 G705 A706 | G646-N703 CarbonylContact O-C 3.57Å; G646-N703 WeakPolarHBondContact O-CA 3.49Å; E648-N703 PolarHBondContact OE1-ND2 3.42Å; N659-N703 PolarHBondContact ND2-O 2.91Å; L700-N703 HydrophobicContact CD1-CB 4.47Å; N703-G705 PolarHBondContact O-N 2.82Å; N703-G705 WeakPolarHBondContact OD1-CA 3.44Å; N703-G705 PolarHBondContact OD1-N 2.63Å; N703-A706 HydrophobicContact CB-CB 4.27Å; N703-A706 WeakPolarHBondContact O-CB 3.12Å; N703-A706 PolarHBondContact O-N 3.49Å; N703-A706 PolarHBondContact OD1-N 2.67Å |
| 704 | L | 88.6 | Confident | 68.3 | Low | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19.4 | 176.5 | -66.7 | 169 | 0 | 0 | 0 | 113.1 | I610 L616 I645 G646 A658 N659 A660 V662 Y702 | I610-L704 HydrophobicContact CD1-CD1 3.59Å; L616-L704 HydrophobicContact CD1-CB 3.69Å; L616-L704 HydrophobicContact CD2-CB 4.11Å; L616-L704 HydrophobicContact CD2-CD1 3.84Å; I645-L704 HydrophobicContact CG2-CD1 3.76Å; I645-L704 HydrophobicContact CG2-CG 4.21Å; G646-L704 PolarHBondContact O-N 3.38Å; A658-L704 CarbonylContact C-O 3.54Å; N659-L704 VanDerWaalsContact CB-O 3.32Å; N659-L704 WeakPolarHBondContact CB-O 3.19Å; N659-L704 PolarHBondContact N-O 3.37Å; N659-L704 PolarHBondContact ND2-O 3.23Å; N659-L704 WeakPolarHBondContact OD1-CA 3.36Å; N659-L704 PolarHBondContact OD1-O 3.12Å; A660-L704 HydrophobicContact CB-CD2 4.34Å; V662-L704 HydrophobicContact CG2-CD1 3.98Å; V662-L704 HydrophobicContact CG2-CD2 3.64Å; V662-L704 HydrophobicContact CG2-CG 4.41Å; Y702-L704 HydrophobicContact CD1-CD2 3.8Å; Y702-L704 HydrophobicContact CD1-CG 4.07Å; Y702-L704 HydrophobicContact CE1-CD2 3.82Å; Y702-L704 HydrophobicContact CE1-CG 4.44Å |
| 705 | G | 81.7 | Confident | 65.8 | Low | 14 Ų | 14 | 72.6 Ų | 72.6 | 14% | 0.144 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -13.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V656 N703 G707 G708 | V656-G705 VanDerWaalsContact CG1-CA 3.44Å; N703-G705 PolarHBondContact O-N 2.82Å; N703-G705 WeakPolarHBondContact OD1-CA 3.44Å; N703-G705 PolarHBondContact OD1-N 2.63Å; G705-G707 PolarHBondContact O-N 3.5Å; G705-G708 PolarHBondContact O-N 3.01Å |
| 706 | A | 70.9 | Confident | 63.2 | Low | 74 Ų | 74 | 76 Ų | 76 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -6.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | N703 | N703-A706 HydrophobicContact CB-CB 4.27Å; N703-A706 WeakPolarHBondContact O-CB 3.12Å; N703-A706 PolarHBondContact O-N 3.49Å; N703-A706 PolarHBondContact OD1-N 2.67Å |
| 707 | G | 57.9 | Low | 60.3 | Low | 55 Ų | 55 | 81.5 Ų | 81.5 | 57% | 0.567 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -0.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | N659 G705 | N659-G707 PolarHBondContact ND2-N 3.03Å; G705-G707 PolarHBondContact O-N 3.5Å |
| 708 | G | 49.3 | Very low | 58.1 | Low | 72 Ų | 72 | 82 Ų | 82 | 74% | 0.742 | 55% | 0.554 | S | S | * | * | trans | -89.5 | 2.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 117 | G705 | G705-G708 PolarHBondContact O-N 3.01Š| ||
| 709 | G | 40.2 | Very low | 55.5 | Low | 71 Ų | 71 | 85.1 Ų | 85.1 | 73% | 0.732 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -76.6 | 133.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A711 | G709-A711 PolarHBondContact O-N 2.93Š|
| 710 | S | 34.8 | Very low | 52.7 | Low | 88 Ų | 88 | 85 Ų | 85 | 62% | 0.615 | 58% | 0.583 | S | S | * | * | trans | -66.7 | 129.5 | 177.9 | 42.9 | 0 | 0 | 0 | 0 | 111.6 | E712 | S710-E712 PolarHBondContact O-N 3.34Å; S710-E712 VanDerWaalsContact O-N 3.13Å; S710-E712 PolarHBondContact OG-OE2 3.3Å; S710-E712 VanDerWaalsContact OG-OE2 3.04Å | ||
| 711 | A | 32.3 | Very low | 49.7 | Very low | 104 Ų | 104 | 90.9 Ų | 90.9 | 86% | 0.86 | 62% | 0.615 | S | S | * | * | trans | -81.4 | 68.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | G709 | G709-A711 PolarHBondContact O-N 2.93Š| ||
| 712 | E | 34.7 | Very low | 46.7 | Very low | 159 Ų | 159 | 95.2 Ų | 95.2 | 74% | 0.743 | 63% | 0.634 | S | S | * | * | trans | -77 | 138.5 | 169.6 | -87 | 167.6 | 138.8 | 0 | 0 | 110.1 | S710 D714 | S710-E712 PolarHBondContact O-N 3.34Å; S710-E712 VanDerWaalsContact O-N 3.13Å; S710-E712 PolarHBondContact OG-OE2 3.3Å; S710-E712 VanDerWaalsContact OG-OE2 3.04Å; E712-D714 PolarHBondContact O-N 3.43Å | ||
| 713 | V | 37.8 | Very low | 43.7 | Very low | 116 Ų | 116 | 98.7 Ų | 98.7 | 70% | 0.703 | 66% | 0.66 | S | S | * | * | trans | -98.2 | 93.7 | -169.3 | 177.1 | 0 | 0 | 0 | 0 | 108.9 | T715 | V713-T715 HydrophobicContact CG1-CG2 3.64Å; V713-T715 PolarHBondContact O-N 2.97Å | ||
| 714 | D | 28.1 | Very low | 40.6 | Very low | 160 Ų | 160 | 104.8 Ų | 104.8 | 86% | 0.856 | 69% | 0.691 | S | S | * | * | trans | -73.9 | 66.9 | 173.7 | -83.9 | -30.4 | 0 | 0 | 0 | 111.7 | E712 S716 | E712-D714 PolarHBondContact O-N 3.43Å; D714-S716 PolarHBondContact O-N 3.12Å | ||
| 715 | T | 36.3 | Very low | 37.6 | Very low | 122 Ų | 122 | 112.1 Ų | 112.1 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | -93.3 | 76 | 167.5 | 49.4 | 0 | 0 | 0 | 0 | 110.8 | V713 | V713-T715 HydrophobicContact CG1-CG2 3.64Å; V713-T715 PolarHBondContact O-N 2.97Å | ||
| 716 | S | 30.5 | Very low | 34.9 | Very low | 99 Ų | 99 | 115.7 Ų | 115.7 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | trans | -152.6 | 154 | 165.3 | 70.1 | 0 | 0 | 0 | 0 | 114.1 | D714 | D714-S716 PolarHBondContact O-N 3.12Š| ||
| 717 | S | 28.3 | Very low | 32.8 | Very low | 115 Ų | 115 | 118.2 Ų | 118.2 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 59.6 | 90.4 | 174.9 | 54.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 718 | L | 37.3 | Very low | 31.5 | Very low | 183 Ų | 183 | 122.2 Ų | 122.2 | 96% | 0.958 | 77% | 0.766 | S | S | * | * | trans | -68.4 | 125.9 | 143.7 | -75.2 | 157.9 | 0 | 0 | 0 | 109.8 | ||||
| 719 | S | 28 | Very low | 30.6 | Very low | 131 Ų | 131 | 126.6 Ų | 126.6 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | trans | -175.9 | 154.2 | 151.7 | -158.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 720 | G | 27.6 | Very low | 30 | Very low | 70 Ų | 70 | 131.4 Ų | 131.4 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | 110.3 | 71.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 721 | D | 27.3 | Very low | 29.7 | Very low | 148 Ų | 148 | 134 Ų | 134 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -48 | 168.9 | 170.6 | -61.7 | -48.7 | 0 | 0 | 0 | 117.7 | ||||
| 722 | N | 28.3 | Very low | 29.5 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | 103.7 | 98.8 | 144.9 | -68.2 | -53.8 | 0 | 0 | 0 | 121.7 | ||||
| 723 | T | 27.1 | Very low | 29.2 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | 64.8 | 101.6 | 109.1 | -50.8 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 724 | L | 26.5 | Very low | 28.7 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | -164.6 | 120.4 | 127 | -109 | 124.9 | 0 | 0 | 0 | 107.2 | |||||
| 725 | M | 23.8 | Very low | 28.8 | Very low | 155 Ų | 155 | 132 Ų | 132 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | 67 | 88.7 | 56.5 | -152.8 | 79.8 | 165.8 | 0 | 0 | 110.1 | |||||
| 726 | S | 25.9 | Very low | 28.4 | Very low | 88 Ų | 88 | 134.4 Ų | 134.4 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | 88.3 | 123.4 | 56.8 | 77.2 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 727 | T | 27.3 | Very low | 28.3 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | -151.5 | 113.5 | 160.2 | 19.5 | 0 | 0 | 0 | 0 | 105 | ||||
| 728 | L | 31.2 | Very low | 28.1 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | 57.8 | 131.6 | 74.4 | -56 | 175.9 | 0 | 0 | 0 | 112 | |||||
| 729 | E | 29.9 | Very low | 28.4 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | cis | -146.7 | -176.2 | -13.4 | -103.5 | 164.7 | 107.5 | 0 | 0 | 105.4 | ||||
| 730 | E | 27.8 | Very low | 28.3 | Very low | 172 Ų | 172 | 131.5 Ų | 131.5 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | cis | -145.4 | -172 | 21.7 | -86.2 | -166.8 | 92.6 | 0 | 0 | 107.3 | ||||
| 731 | K | 27.3 | Very low | 28.3 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | cis | 167 | 115.8 | -35.9 | 179.5 | -177.8 | 172.8 | 177.8 | 0 | 107 | ||||
| 732 | E | 28.6 | Very low | 28.2 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | 51.8 | 149.9 | 155.5 | -58.6 | 170.3 | 156.2 | 0 | 0 | 119.2 | ||||
| 733 | T | 28.6 | Very low | 28.9 | Very low | 114 Ų | 114 | 132 Ų | 132 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | cis | -153 | 140 | 41.1 | 49.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 734 | D | 27.9 | Very low | 28.8 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | trans | 64.2 | 144.2 | 134.1 | -49.5 | -19 | 0 | 0 | 0 | 125.3 | ||||
| 735 | G | 28.6 | Very low | 29.8 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | 103.7 | 90.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 736 | E | 28.9 | Very low | 29.9 | Very low | 172 Ų | 172 | 124.9 Ų | 124.9 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | 50.4 | 128.8 | 61.5 | -81.5 | -151.6 | 98.2 | 0 | 0 | 114.1 | |||||
| 737 | Q | 27.5 | Very low | 30 | Very low | 166 Ų | 166 | 128.1 Ų | 128.1 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | cis | -142.5 | 169.2 | 10.6 | -93.7 | 143.5 | 16.9 | 0 | 0 | 111.9 | ||||
| 738 | G | 25.2 | Very low | 30 | Very low | 69 Ų | 69 | 130.1 Ų | 130.1 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | -99.1 | -147.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 739 | P | 43.7 | Very low | 30.5 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | cis | -144 | -158.6 | -8.3 | 38.7 | -16.2 | 0 | 0 | 0 | 114.1 | ||||
| 740 | T | 24.5 | Very low | 30.4 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | trans | 74.4 | 122.2 | 146.4 | 45.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 741 | V | 28.4 | Very low | 30.3 | Very low | 138 Ų | 138 | 122.5 Ų | 122.5 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | 93 | 122.8 | 124.5 | 169.7 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 742 | S | 26.2 | Very low | 30.9 | Very low | 107 Ų | 107 | 121.1 Ų | 121.1 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | -78.4 | 166.6 | 168 | -29.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 743 | P | 41.8 | Very low | 30.8 | Very low | 126 Ų | 126 | 121.3 Ų | 121.3 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | -149.2 | 179.6 | 77.2 | 39.4 | -20 | 0 | 0 | 0 | 116 | |||||
| 744 | A | 24.9 | Very low | 30.8 | Very low | 84 Ų | 84 | 123.9 Ų | 123.9 | 69% | 0.694 | 77% | 0.766 | S | S | * | * | trans | -84.1 | -170.7 | 164 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 745 | P | 47.4 | Very low | 30.8 | Very low | 120 Ų | 120 | 121.5 Ų | 121.5 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | cis | -143.3 | -159.2 | 7.7 | 43.5 | -22.1 | 0 | 0 | 0 | 115.8 | ||||
| 746 | A | 27.2 | Very low | 31.2 | Very low | 78 Ų | 78 | 124.2 Ų | 124.2 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | trans | 94.9 | 113.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 747 | D | 26.8 | Very low | 31 | Very low | 156 Ų | 156 | 119.2 Ų | 119.2 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | 72.9 | 110.7 | 127.2 | -52 | -14.7 | 0 | 0 | 0 | 123.2 | |||||
| 748 | E | 27 | Very low | 30.9 | Very low | 168 Ų | 168 | 116.9 Ų | 116.9 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | -17.3 | 158.8 | 128.9 | -83.8 | -81.9 | 132.8 | 0 | 0 | 116.5 | S750 | E748-S750 PolarHBondContact OE2-N 3.16Š| |||
| 749 | P | 43.4 | Very low | 30.9 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | cis | -148.7 | 173 | 35.9 | 41.8 | -21.4 | 0 | 0 | 0 | 120.5 | ||||
| 750 | S | 26.3 | Very low | 30.1 | Very low | 100 Ų | 100 | 118.7 Ų | 118.7 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | 77.5 | 137.4 | 141.8 | 67.5 | 0 | 0 | 0 | 0 | 121.5 | E748 | E748-S750 PolarHBondContact OE2-N 3.16Š| ||
| 751 | S | 27.4 | Very low | 30.3 | Very low | 113 Ų | 113 | 118.8 Ų | 118.8 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | -78.7 | 171.9 | -178.2 | -37 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 752 | P | 38 | Very low | 30.3 | Very low | 113 Ų | 113 | 117.8 Ų | 117.8 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | -145.8 | 135.7 | 110.9 | 36.3 | -21.7 | 0 | 0 | 0 | 117.3 | |||||
| 753 | L | 27.4 | Very low | 30.4 | Very low | 161 Ų | 161 | 117.8 Ų | 117.8 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | 60.6 | 150.9 | 130.1 | -63.9 | 173.5 | 0 | 0 | 0 | 124 | ||||
| 754 | L | 28.6 | Very low | 29.8 | Very low | 169 Ų | 169 | 116.5 Ų | 116.5 | 89% | 0.885 | 77% | 0.765 | S | S | * | * | trans | 75 | 105.9 | 161.2 | -69.1 | 164.5 | 0 | 0 | 0 | 119.2 | ||||
| 755 | S | 27.1 | Very low | 30 | Very low | 106 Ų | 106 | 116.8 Ų | 116.8 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | -78.1 | 166.6 | 156.7 | 56.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 756 | P | 37.8 | Very low | 29.1 | Very low | 128 Ų | 128 | 120.2 Ų | 120.2 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | -147.3 | 162 | 94.8 | 39.3 | -24.8 | 0 | 0 | 0 | 115.6 | |||||
| 757 | G | 24.2 | Very low | 29.1 | Very low | 66 Ų | 66 | 123.2 Ų | 123.2 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | trans | 100.9 | 116.9 | 143 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 758 | C | 25 | Very low | 29.2 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | 73.3 | 103.7 | 137.3 | -58.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 759 | T | 25.1 | Very low | 29.2 | Very low | 122 Ų | 122 | 120.7 Ų | 120.7 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | 62.2 | 107.8 | 124.4 | 60.2 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 760 | S | 27 | Very low | 29.1 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | 64.5 | 106.1 | 126.2 | 68.3 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 761 | S | 30.2 | Very low | 29.2 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | 60.3 | 99.5 | 128.6 | 64.7 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 762 | S | 28 | Very low | 29.2 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -146.7 | 163.4 | 144.2 | 81.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 763 | S | 28.8 | Very low | 28.7 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | cis | -172.4 | 162.8 | -25.6 | -99.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 764 | A | 28.1 | Very low | 28.7 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | 62.1 | 110 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 765 | A | 29.7 | Very low | 29.3 | Very low | 91 Ų | 91 | 129.1 Ų | 129.1 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | 100 | 165.2 | 67.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 766 | K | 27.8 | Very low | 29.6 | Very low | 192 Ų | 192 | 135.2 Ų | 135.2 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | 85.3 | 145.9 | -174.4 | -55.8 | 176.8 | 179.1 | 174 | 0 | 115 | ||||
| 767 | L | 27.6 | Very low | 29.7 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | cis | -157.2 | 147.2 | -16.9 | -108.1 | 168.5 | 0 | 0 | 0 | 109.9 | ||||
| 768 | L | 29.3 | Very low | 30.1 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | 34 | 126.6 | 154.7 | -66.3 | 169.2 | 0 | 0 | 0 | 122.1 | ||||
| 769 | S | 26 | Very low | 30.5 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -109.7 | 157.1 | 148.2 | 58.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 770 | P | 42.2 | Very low | 30.6 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -92.4 | -177.7 | -163.8 | 36.1 | -36.5 | 0 | 0 | 0 | 116 | ||||
| 771 | R | 27.2 | Very low | 30.7 | Very low | 221 Ų | 221 | 141.3 Ų | 141.3 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -142 | 132.1 | -154.5 | 171.5 | -161.2 | -171.4 | -164 | 8 | 112.6 | T773 | R771-T773 HydrophobicContact CG-CG2 4.06Š| ||
| 772 | R | 28 | Very low | 30.7 | Very low | 245 Ų | 245 | 148.3 Ų | 148.3 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | trans | -158.5 | 120.1 | 155.6 | -95 | 166.7 | -171.8 | -171.4 | 1.4 | 107.3 | ||||
| 773 | T | 28.4 | Very low | 30.6 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 68% | 0.675 | 82% | 0.82 | S | S | * | * | cis | 83.4 | 105.6 | 38.5 | 69.9 | 0 | 0 | 0 | 0 | 115.9 | R771 | R771-T773 HydrophobicContact CG-CG2 4.06Š| ||
| 774 | A | 26.9 | Very low | 30.6 | Very low | 98 Ų | 98 | 153.1 Ų | 153.1 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | trans | -134 | 155.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 775 | P | 41.7 | Very low | 31.8 | Very low | 127 Ų | 127 | 153.9 Ų | 153.9 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 164.9 | -157.8 | 38.4 | -35.8 | 0 | 0 | 0 | 116.9 | ||
| 776 | R | 32.7 | Very low | 31.6 | Very low | 233 Ų | 233 | 153.2 Ų | 153.2 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -95 | 159.6 | 165.8 | -70.7 | 179 | 168.2 | 173 | -4.8 | 111.9 | ||
| 777 | P | 39.9 | Very low | 31.6 | Very low | 120 Ų | 120 | 155.7 Ų | 155.7 | 78% | 0.779 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 161 | 144.2 | -13.7 | 31.2 | 0 | 0 | 0 | 113.5 | ||
| 778 | R | 32 | Very low | 31.6 | Very low | 233 Ų | 233 | 154 Ų | 154 | 88% | 0.879 | 84% | 0.837 | S | S | * | * | trans | -103.3 | -173.2 | 163.9 | -61.2 | -179.3 | 175.8 | 179.5 | -2.8 | 107.8 | ||||
| 779 | L | 32.9 | Very low | 31.5 | Very low | 158 Ų | 158 | 150 Ų | 150 | 83% | 0.827 | 84% | 0.835 | S | S | * | * | cis | -168.1 | 149.3 | 21.7 | -174 | 67.7 | 0 | 0 | 0 | 112 | ||||
| 780 | G | 27.7 | Very low | 31.6 | Very low | 78 Ų | 78 | 148.8 Ų | 148.8 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | 87.6 | 151.2 | 153.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 781 | G | 29.6 | Very low | 30.9 | Very low | 73 Ų | 73 | 150.3 Ų | 150.3 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | cis | 167.9 | 145.3 | -12.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 782 | R | 29.9 | Very low | 30.9 | Very low | 266 Ų | 266 | 148.8 Ų | 148.8 | 100% | 1.004 | 83% | 0.831 | S | S | * | * | trans | 67.3 | 148.4 | 171.6 | -62.4 | -176.9 | 168.2 | -155.5 | -2.9 | 118.1 | ||||
| 783 | G | 26.8 | Very low | 30.8 | Very low | 83 Ų | 83 | 141.6 Ų | 141.6 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | 141.7 | 72.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 784 | R | 29.2 | Very low | 30.7 | Very low | 242 Ų | 242 | 145.5 Ų | 145.5 | 91% | 0.913 | 83% | 0.834 | S | S | * | * | trans | -105.9 | 169.7 | 161.8 | -111.3 | -164.6 | 169.7 | -174.9 | -2 | 108.3 | ||||
| 785 | P | 51.9 | Low | 30.6 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 75% | 0.747 | 83% | 0.833 | S | S | * | * | cis | -139.7 | 161 | -29.1 | 37.3 | -20.3 | 0 | 0 | 0 | 115.8 | ||||
| 786 | G | 26.7 | Very low | 29.8 | Very low | 77 Ų | 77 | 142.8 Ų | 142.8 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | 100.3 | 166.7 | 124.5 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 787 | R | 28.1 | Very low | 30.3 | Very low | 243 Ų | 243 | 138.1 Ų | 138.1 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | trans | 88.6 | 79 | 155.6 | -149.8 | 172 | -166 | 176.9 | 3.8 | 122 | ||||
| 788 | A | 26.6 | Very low | 29.6 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | 64.3 | 137.2 | 117.9 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 789 | G | 26.9 | Very low | 29.4 | Very low | 77 Ų | 77 | 131.2 Ų | 131.2 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | 126.5 | 149.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 790 | A | 28 | Very low | 29.6 | Very low | 85 Ų | 85 | 129.6 Ų | 129.6 | 70% | 0.702 | 82% | 0.824 | S | S | * | * | cis | -168.1 | 142.3 | -19.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 791 | L | 28.3 | Very low | 30.3 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | 64.9 | 162.8 | 161.9 | -58.7 | 161.5 | 0 | 0 | 0 | 115.8 | ||||
| 792 | K | 25.8 | Very low | 30.2 | Very low | 190 Ų | 190 | 140.2 Ų | 140.2 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | cis | -145.4 | 164.8 | 3.4 | -148.9 | 175.3 | -178.3 | -170.6 | 0 | 110 | ||||
| 793 | A | 27.4 | Very low | 30.1 | Very low | 93 Ų | 93 | 132 Ų | 132 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | trans | -144.9 | 154.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 794 | E | 25.7 | Very low | 30.2 | Very low | 192 Ų | 192 | 135.7 Ų | 135.7 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -157.5 | 150.5 | 166.6 | -75.6 | -159.1 | 140.8 | 0 | 0 | 108.1 | ||||
| 795 | A | 25.6 | Very low | 30.1 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | cis | -156.3 | 164.9 | -15.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 796 | G | 24.6 | Very low | 28.9 | Very low | 73 Ų | 73 | 131.3 Ų | 131.3 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -86.9 | -156.9 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 797 | P | 42.4 | Very low | 29 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 87% | 0.87 | 83% | 0.829 | S | S | * | * | cis | -122.2 | -163.4 | 17.2 | 44.4 | -29.2 | 0 | 0 | 0 | 112.5 | ||||
| 798 | S | 26.1 | Very low | 28.9 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | cis | -153 | 163.7 | 12.9 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 799 | A | 27.9 | Very low | 29.3 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 78% | 0.777 | 83% | 0.83 | S | S | * | * | trans | -103.3 | -173.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 800 | P | 37.2 | Very low | 29.6 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 81% | 0.805 | 83% | 0.827 | S | S | * | * | cis | -137.1 | -176.2 | 35 | 39.9 | -18 | 0 | 0 | 0 | 116.2 | ||||
| 801 | P | 41 | Very low | 29.7 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | trans | -113.8 | 173.6 | -164.4 | 41.9 | -34.5 | 0 | 0 | 0 | 117.5 | ||||
| 802 | R | 28.2 | Very low | 29.9 | Very low | 256 Ų | 256 | 143.8 Ų | 143.8 | 97% | 0.966 | 83% | 0.833 | S | S | * | * | trans | -136 | 168.7 | 154.2 | -90 | -171.7 | 171.9 | 176.9 | -2 | 109.9 | ||||
| 803 | A | 27.7 | Very low | 30.2 | Very low | 93 Ų | 93 | 140.1 Ų | 140.1 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | trans | -133.9 | 168.1 | -156.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 804 | L | 29 | Very low | 30.3 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 84% | 0.838 | 84% | 0.837 | S | S | * | * | trans | 83 | 143.3 | 158.3 | -91.8 | 153.5 | 0 | 0 | 0 | 121.2 | ||||
| 805 | E | 27.7 | Very low | 30.6 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 89% | 0.888 | 83% | 0.833 | S | S | * | * | trans | 66.9 | 141.1 | 164.3 | -80.2 | 170.6 | -176.6 | 0 | 0 | 122 | ||||
| 806 | G | 26.8 | Very low | 30.8 | Very low | 75 Ų | 75 | 147.3 Ų | 147.3 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | trans | 125.9 | 90 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | R808 | G806-R808 PolarHBondContact O-N 3.01Š| ||
| 807 | L | 27.4 | Very low | 31.3 | Very low | 183 Ų | 183 | 149.4 Ų | 149.4 | 96% | 0.958 | 83% | 0.834 | S | S | * | * | trans | -65.9 | 114.4 | 169.4 | -86.6 | 156.6 | 0 | 0 | 0 | 111.6 | ||||
| 808 | R | 27.4 | Very low | 30.9 | Very low | 250 Ų | 250 | 148.1 Ų | 148.1 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | trans | -142.5 | 148.2 | 161.5 | -77.7 | -161.9 | 168.9 | 175.5 | -2.5 | 113.4 | G806 | G806-R808 PolarHBondContact O-N 3.01Š| ||
| 809 | L | 33.7 | Very low | 31.3 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 86% | 0.859 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 157.8 | 178.7 | -70.7 | 158.9 | 0 | 0 | 0 | 111.6 | ||
| 810 | P | 33.6 | Very low | 31.4 | Very low | 114 Ų | 114 | 153.7 Ų | 153.7 | 74% | 0.74 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 148.1 | -178.5 | 30.2 | -36 | 0 | 0 | 0 | 112.9 | ||
| 811 | P | 30.2 | Very low | 31 | Very low | 127 Ų | 127 | 152.8 Ų | 152.8 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 132.3 | 173.8 | 31.7 | -33.4 | 0 | 0 | 0 | 111.6 | ||
| 812 | M | 32.1 | Very low | 30.7 | Very low | 178 Ų | 178 | 152.9 Ų | 152.9 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 142.3 | 167.6 | -86.2 | -69.7 | -169.4 | 0 | 0 | 110.9 | ||
| 813 | P | 32.2 | Very low | 30.9 | Very low | 114 Ų | 114 | 152 Ų | 152 | 74% | 0.74 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 144 | 174.6 | 30.9 | -34.1 | 0 | 0 | 0 | 112 | ||
| 814 | W | 29.6 | Very low | 31.1 | Very low | 246 Ų | 246 | 152.9 Ų | 152.9 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -68.7 | 127.7 | 170.6 | -79.4 | -55.1 | 0 | 0 | 0 | 111.7 | ||
| 815 | N | 31.3 | Very low | 31 | Very low | 154 Ų | 154 | 151.4 Ų | 151.4 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | 160.6 | 75.9 | 127 | -80.9 | -22.8 | 0 | 0 | 0 | 112.5 | |||||
| 816 | V | 29.8 | Very low | 31.4 | Very low | 132 Ų | 132 | 149.5 Ų | 149.5 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | trans | -143 | 122.4 | 159.8 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 817 | P | 35 | Very low | 31.5 | Very low | 116 Ų | 116 | 149 Ų | 149 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 135.8 | 167.6 | 31.9 | -31.4 | 0 | 0 | 0 | 110 | ||
| 818 | P | 34.2 | Very low | 31.7 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 155.2 | 178 | 32 | -35.2 | 0 | 0 | 0 | 112.4 | L820 | P818-L820 PolarHBondContact O-N 2.97Š|
| 819 | D | 34.7 | Very low | 32 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 132.2 | 167.2 | -105.3 | -46.8 | 0 | 0 | 0 | 111.4 | ||
| 820 | L | 31 | Very low | 32 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | trans | -138.6 | 113.3 | 169.5 | -74.7 | 177.5 | 0 | 0 | 0 | 109.9 | P818 | P818-L820 PolarHBondContact O-N 2.97Š| ||
| 821 | S | 28.6 | Very low | 31.9 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -74.1 | 138.6 | 173.1 | 50 | 0 | 0 | 0 | 0 | 110.9 | R823 | S821-R823 PolarHBondContact O-N 3.03Š| ||
| 822 | P | 34.7 | Very low | 31.9 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | -78.5 | 87.1 | -174.3 | 31.1 | -35.3 | 0 | 0 | 0 | 111.8 | V824 | P822-V824 PolarHBondContact O-N 3.47Š| ||
| 823 | R | 31.4 | Very low | 31.7 | Very low | 236 Ų | 236 | 138.6 Ų | 138.6 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | -80.9 | 89.1 | 157.5 | -79.1 | -170 | 172.6 | -164.1 | -2 | 109.4 | S821 | S821-R823 PolarHBondContact O-N 3.03Š| ||
| 824 | V | 31.8 | Very low | 31.8 | Very low | 112 Ų | 112 | 138 Ų | 138 | 68% | 0.679 | 80% | 0.802 | S | S | * | * | trans | -96.9 | 119.1 | 163.6 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | P822 | P822-V824 PolarHBondContact O-N 3.47Š| ||
| 825 | V | 28.8 | Very low | 31.8 | Very low | 129 Ų | 129 | 133 Ų | 133 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | -127.7 | 92.7 | 169.7 | 179.7 | 0 | 0 | 0 | 0 | 106.3 | G827 | V825-G827 VanDerWaalsContact C-N 3.3Å; V825-G827 PolarHBondContact O-N 3.37Å | ||
| 826 | D | 34.4 | Very low | 31.9 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | -76.2 | 87.2 | 168.5 | -80.1 | -28.3 | 0 | 0 | 0 | 108.1 | I828 | D826-I828 PolarHBondContact O-N 3.03Š| ||
| 827 | G | 29.9 | Very low | 31.9 | Very low | 64 Ų | 64 | 133.4 Ų | 133.4 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | trans | -76.6 | 105.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V825 | V825-G827 VanDerWaalsContact C-N 3.3Å; V825-G827 PolarHBondContact O-N 3.37Å | ||
| 828 | I | 32.3 | Very low | 31.6 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -110.6 | 108.1 | 161.8 | -60.7 | 175.8 | 0 | 0 | 0 | 106.1 | D826 | D826-I828 PolarHBondContact O-N 3.03Š| ||
| 829 | E | 33 | Very low | 31.1 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -114.3 | 128.2 | 174.4 | -66.8 | -172 | 144.7 | 0 | 0 | 109.4 | ||||
| 830 | D | 34.4 | Very low | 30.6 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -87 | 116.1 | 178.7 | -72.1 | -54.7 | 0 | 0 | 0 | 111.1 | ||||
| 831 | G | 30.7 | Very low | 30.3 | Very low | 73 Ų | 73 | 140 Ų | 140 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 103.7 | 123.7 | 144.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||
| 832 | C | 29.1 | Very low | 30.1 | Very low | 148 Ų | 148 | 146.5 Ų | 146.5 | 100% | 1 | 81% | 0.805 | S | S | * | * | trans | 70.1 | 104.8 | 150.5 | -150.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 833 | G | 28.4 | Very low | 29.8 | Very low | 79 Ų | 79 | 149.4 Ų | 149.4 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | trans | -171 | 150.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 834 | S | 34 | Very low | 29.7 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -85.7 | 175 | -176.6 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 835 | D | 30.2 | Very low | 29.5 | Very low | 143 Ų | 143 | 145.5 Ų | 145.5 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | trans | 76.6 | 97.6 | 158.6 | -49.6 | -48.3 | 0 | 0 | 0 | 118.8 | ||||
| 836 | Q | 32.5 | Very low | 29.3 | Very low | 178 Ų | 178 | 145.3 Ų | 145.3 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -73.1 | 149.3 | 155.9 | -70.7 | -166.9 | 4 | 0 | 0 | 111.3 | ||||
| 837 | P | 31.1 | Very low | 29.2 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 75% | 0.747 | 82% | 0.815 | S | S | * | * | trans | -128.4 | 88.7 | 130.9 | 34.9 | -26.1 | 0 | 0 | 0 | 113.1 | F839 | P837-F839 PolarHBondContact O-N 2.7Š| ||
| 838 | K | 28.2 | Very low | 29.6 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 77% | 0.765 | 82% | 0.817 | S | S | * | * | trans | 2.2 | 113.7 | 138.9 | -171.6 | -179.1 | -166.5 | 171.9 | 0 | 116.5 | ||||
| 839 | F | 23.6 | Very low | 29.4 | Very low | 203 Ų | 203 | 145.1 Ų | 145.1 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | trans | -124.7 | 137.7 | 157.3 | -101.4 | -88.3 | 0 | 0 | 0 | 110.6 | P837 | P837-F839 PolarHBondContact O-N 2.7Š| ||
| 840 | S | 23.7 | Very low | 29 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 82% | 0.818 | S | S | * | * | trans | -126 | 143.3 | -179.7 | 56.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 841 | F | 24.5 | Very low | 28.6 | Very low | 209 Ų | 209 | 138.6 Ų | 138.6 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 125.3 | 170.4 | -94.9 | -90.9 | 0 | 0 | 0 | 110.5 | ||
| 842 | R | 25.5 | Very low | 28.5 | Very low | 241 Ų | 241 | 140.3 Ų | 140.3 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 139.5 | 164.7 | -70.2 | 176.4 | 171.1 | 174 | -4.1 | 108.9 | ||
| 843 | M | 29.1 | Very low | 28.3 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 138 | 154.7 | -164.2 | 60.5 | -174.2 | 0 | 0 | 109.1 | ||
| 844 | G | 27.5 | Very low | 28.8 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 154.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 845 | Q | 27.7 | Very low | 28.6 | Very low | 198 Ų | 198 | 141.1 Ų | 141.1 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 152 | -177.6 | -62.6 | 167.3 | -31.1 | 0 | 0 | 112.7 | ||
| 846 | S | 26.3 | Very low | 29.1 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -149.4 | 137.7 | 131.2 | 45.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 847 | G | 30.5 | Very low | 28.7 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -102.3 | -145.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 848 | P | 39.6 | Very low | 29 | Very low | 107 Ų | 107 | 135 Ų | 135 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | cis | -124.1 | 158.4 | 22.7 | 39.5 | -25.9 | 0 | 0 | 0 | 116.9 | ||||
| 849 | E | 26.9 | Very low | 28.9 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | 62.1 | 138.2 | 140.8 | -69.7 | 156 | -172.1 | 0 | 0 | 120 | ||||
| 850 | C | 24.8 | Very low | 29 | Very low | 121 Ų | 121 | 131 Ų | 131 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | cis | -155.2 | -174.9 | 4.2 | -139.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 851 | S | 27.1 | Very low | 29.1 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 64% | 0.643 | 80% | 0.801 | S | S | * | * | cis | -157.5 | -175.5 | 7.4 | 59.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 852 | S | 28.1 | Very low | 29.4 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | 57.8 | 107.4 | 150.9 | 50 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 853 | S | 26.1 | Very low | 29.4 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -78.7 | -176 | 156.7 | 56.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 854 | P | 38.1 | Very low | 29.8 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | cis | -139.1 | -178.1 | 12.1 | 44.2 | -25.3 | 0 | 0 | 0 | 117.8 | ||||
| 855 | S | 28.8 | Very low | 29.8 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -98.2 | 163.3 | 166.4 | -42.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 856 | P | 40.6 | Very low | 30.2 | Very low | 126 Ų | 126 | 121 Ų | 121 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | -142.6 | -177 | 79.8 | 37.9 | -20.3 | 0 | 0 | 0 | 114.7 | |||||
| 857 | G | 24.6 | Very low | 30.5 | Very low | 64 Ų | 64 | 124.5 Ų | 124.5 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | trans | -83.1 | -161.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 858 | P | 37.8 | Very low | 30.5 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | cis | -144.4 | -164.3 | 30.2 | 39.8 | -16.9 | 0 | 0 | 0 | 116.5 | ||||
| 859 | E | 25 | Very low | 30.7 | Very low | 174 Ų | 174 | 125 Ų | 125 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 77.1 | 114.4 | 157.7 | -63.4 | -170.8 | -173.4 | 0 | 0 | 123 | ||||
| 860 | S | 27.6 | Very low | 31.3 | Very low | 121 Ų | 121 | 120.3 Ų | 120.3 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | 47.9 | 105.3 | 124 | -51.9 | 0 | 0 | 0 | 0 | 121 | |||||
| 861 | G | 25.4 | Very low | 32.1 | Very low | 81 Ų | 81 | 122.5 Ų | 122.5 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -163.3 | 118.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 862 | L | 29.6 | Very low | 32.9 | Very low | 170 Ų | 170 | 121.5 Ų | 121.5 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | -48.6 | 139.4 | 174 | -170.1 | 89.6 | 0 | 0 | 0 | 114.6 | ||||
| 863 | L | 25.7 | Very low | 33.6 | Very low | 155 Ų | 155 | 125.7 Ų | 125.7 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -167.6 | 133.6 | 144 | -111.2 | 168.3 | 0 | 0 | 0 | 114.1 | V865 | L863-V865 HydrophobicContact CD2-CG2 4.19Š| ||
| 864 | T | 38.1 | Very low | 34.5 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -117.5 | 118.9 | 174.4 | 46.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 865 | V | 26.7 | Very low | 35.3 | Very low | 130 Ų | 130 | 123.5 Ų | 123.5 | 79% | 0.788 | 75% | 0.748 | S | S | * | * | trans | -142.3 | 143.4 | 175.3 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | L863 | L863-V865 HydrophobicContact CD2-CG2 4.19Š| ||
| 866 | P | 36.2 | Very low | 36.6 | Very low | 123 Ų | 123 | 122 Ų | 122 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | trans | -101.8 | 179.9 | -150.8 | 39.7 | -38.1 | 0 | 0 | 0 | 116.9 | ||||
| 867 | H | 34.3 | Very low | 37.6 | Very low | 199 Ų | 199 | 119.7 Ų | 119.7 | 92% | 0.921 | 72% | 0.716 | S | S | * | * | trans | -62.6 | 153.6 | 172.3 | -83 | -39.7 | 0 | 0 | 0 | 114.3 | ||||
| 868 | G | 29.8 | Very low | 39.4 | Very low | 60 Ų | 60 | 120.8 Ų | 120.8 | 62% | 0.619 | 71% | 0.706 | S | S | * | * | trans | -136 | 162.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S870 | G868-S870 PolarHBondContact O-N 3.48Š| ||
| 869 | P | 43 | Very low | 40.7 | Very low | 131 Ų | 131 | 118.9 Ų | 118.9 | 85% | 0.851 | 69% | 0.689 | S | S | * | * | trans | -80.3 | 117.4 | -162.3 | 30.1 | -35.2 | 0 | 0 | 0 | 113.8 | ||||
| 870 | S | 39 | Very low | 42.9 | Very low | 81 Ų | 81 | 116.2 Ų | 116.2 | 57% | 0.566 | 68% | 0.675 | S | S | * | * | trans | -105.8 | -37.3 | 176.2 | -166.9 | 0 | 0 | 0 | 0 | 113.4 | G868 A872 R873 | G868-S870 PolarHBondContact O-N 3.48Å; S870-A872 PolarHBondContact O-N 2.79Å; S870-R873 PolarHBondContact O-N 2.93Å | ||
| 871 | E | 43.1 | Very low | 44.7 | Very low | 167 Ų | 167 | 115.8 Ų | 115.8 | 78% | 0.78 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -67.7 | -39.9 | -166.4 | -59.9 | -168.8 | 124.9 | 0 | 0 | 114.3 | R873 N874 | E871-R873 PolarHBondContact O-N 3.44Å; E871-R873 VanDerWaalsContact O-N 3.13Å; E871-N874 PolarHBondContact O-N 3.3Å |
| 872 | A | 42.8 | Very low | 46.8 | Very low | 70 Ų | 70 | 118.8 Ų | 118.8 | 58% | 0.579 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -61.6 | -22.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S870 N874 T875 D876 | S870-A872 PolarHBondContact O-N 2.79Å; A872-N874 VanDerWaalsContact C-N 3.34Å; A872-T875 PolarHBondContact O-OG1 2.88Å; A872-T875 VanDerWaalsContact O-OG1 3.08Å; A872-D876 WeakPolarHBondContact O-CB 3.24Å; A872-D876 PolarHBondContact O-N 3.47Å |
| 873 | R | 43.2 | Very low | 48.9 | Very low | 196 Ų | 196 | 117.3 Ų | 117.3 | 74% | 0.74 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77.2 | -22.3 | 177.2 | -162.6 | 174.2 | -174.4 | 173.7 | 2 | 112.4 | S870 E871 T877 | S870-R873 PolarHBondContact O-N 2.93Å; E871-R873 PolarHBondContact O-N 3.44Å; E871-R873 VanDerWaalsContact O-N 3.13Å; R873-T877 WeakPolarHBondContact O-CG2 3.29Å; R873-T877 PolarHBondContact O-N 3.35Å; R873-T877 PolarHBondContact O-OG1 2.86Å |
| 874 | N | 45.2 | Very low | 51.3 | Low | 104 Ų | 104 | 112.4 Ų | 112.4 | 56% | 0.556 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -88.1 | -27.8 | -177 | -63.3 | -27.3 | 0 | 0 | 0 | 112.5 | E871 A872 T877 L878 | E871-N874 PolarHBondContact O-N 3.3Å; A872-N874 VanDerWaalsContact C-N 3.34Å; N874-T877 WeakPolarHBondContact CA-OG1 3.48Å; N874-T877 PolarHBondContact O-OG1 2.91Å; N874-L878 WeakPolarHBondContact O-CB 3.4Å; N874-L878 PolarHBondContact O-N 2.72Å |
| 875 | T | 55.6 | Low | 53.2 | Low | 83 Ų | 83 | 110.7 Ų | 110.7 | 51% | 0.509 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -72.7 | -48.5 | 169.4 | 48.4 | 0 | 0 | 0 | 0 | 111.2 | A872 T877 L878 D879 | A872-T875 PolarHBondContact O-OG1 2.88Å; A872-T875 VanDerWaalsContact O-OG1 3.08Å; T875-T877 VanDerWaalsContact C-N 3.28Å; T875-T877 PolarHBondContact O-N 2.92Å; T875-L878 WeakPolarHBondContact O-CB 3.46Å; T875-L878 PolarHBondContact O-N 2.69Å; T875-D879 PolarHBondContact O-N 2.73Å |
| 876 | D | 55.7 | Low | 55.5 | Low | 81 Ų | 81 | 110.8 Ų | 110.8 | 43% | 0.433 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.6 | -32.7 | -178 | -174.7 | 60.9 | 0 | 0 | 0 | 113 | A872 K880 | A872-D876 WeakPolarHBondContact O-CB 3.24Å; A872-D876 PolarHBondContact O-N 3.47Å; D876-K880 VanDerWaalsContact CG-NZ 3.3Å; D876-K880 WeakPolarHBondContact O-CB 3.33Å; D876-K880 VanDerWaalsContact O-CD 3.3Å; D876-K880 WeakPolarHBondContact O-CD 3.32Å; D876-K880 VanDerWaalsContact O-CG 3.25Å; D876-K880 WeakPolarHBondContact O-CG 3.44Å; D876-K880 PolarHBondContact O-N 2.73Å; D876-K880 IonicContact OD1-NZ 3.47Å; D876-K880 PolarHBondContact OD1-NZ 2.84Å; D876-K880 IonicContact OD2-NZ 3.75Å; D876-K880 PolarHBondContact OD2-NZ 3.32Å |
| 877 | T | 61.1 | Low | 57.7 | Low | 78 Ų | 78 | 110.3 Ų | 110.3 | 48% | 0.479 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -76.2 | -32.6 | 171.8 | 44.7 | 0 | 0 | 0 | 0 | 113.4 | R873 N874 T875 L881 | R873-T877 WeakPolarHBondContact O-CG2 3.29Å; R873-T877 PolarHBondContact O-N 3.35Å; R873-T877 PolarHBondContact O-OG1 2.86Å; N874-T877 WeakPolarHBondContact CA-OG1 3.48Å; N874-T877 PolarHBondContact O-OG1 2.91Å; T875-T877 VanDerWaalsContact C-N 3.28Å; T875-T877 PolarHBondContact O-N 2.92Å; T877-L881 WeakPolarHBondContact O-CB 3.35Å; T877-L881 PolarHBondContact O-N 3.03Å |
| 878 | L | 62.7 | Low | 59.5 | Low | 86 Ų | 86 | 106 Ų | 106 | 45% | 0.45 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.5 | -40.3 | 176 | -174.6 | 69.9 | 0 | 0 | 0 | 112.1 | N874 T875 L881 R882 | N874-L878 WeakPolarHBondContact O-CB 3.4Å; N874-L878 PolarHBondContact O-N 2.72Å; T875-L878 WeakPolarHBondContact O-CB 3.46Å; T875-L878 PolarHBondContact O-N 2.69Å; L878-L881 WeakPolarHBondContact O-CB 3.41Å; L878-L881 PolarHBondContact O-N 3.4Å; L878-R882 WeakPolarHBondContact O-CG 3.22Å; L878-R882 PolarHBondContact O-N 2.85Å |
| 879 | D | 65.4 | Low | 61.4 | Low | 78 Ų | 78 | 106.3 Ų | 106.3 | 42% | 0.417 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -75.4 | -33.6 | 179.2 | -73.5 | -46.1 | 0 | 0 | 0 | 112.4 | T875 L881 R882 Q883 | T875-D879 PolarHBondContact O-N 2.73Å; D879-L881 VanDerWaalsContact C-N 3.32Å; D879-L881 PolarHBondContact O-N 3.04Å; D879-R882 WeakPolarHBondContact O-CB 3.14Å; D879-R882 PolarHBondContact O-N 2.94Å; D879-R882 WeakPolarHBondContact OD1-CD 3.34Å; D879-R882 IonicContact OD1-CZ 3.04Å; D879-R882 IonicContact OD1-NE 3.66Å; D879-R882 IonicContact OD1-NH1 2.79Å; D879-R882 PolarHBondContact OD1-NH1 3.12Å; D879-Q883 WeakPolarHBondContact O-CB 3.31Å; D879-Q883 PolarHBondContact O-N 3.44Å |
| 880 | K | 71.1 | Confident | 63.2 | Low | 118 Ų | 118 | 106 Ų | 106 | 51% | 0.513 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.5 | -39.6 | 166.6 | -74.7 | 166.3 | -173.2 | 166 | 0 | 112.3 | D876 Q883 A884 | D876-K880 VanDerWaalsContact CG-NZ 3.3Å; D876-K880 WeakPolarHBondContact O-CB 3.33Å; D876-K880 VanDerWaalsContact O-CD 3.3Å; D876-K880 WeakPolarHBondContact O-CD 3.32Å; D876-K880 VanDerWaalsContact O-CG 3.25Å; D876-K880 WeakPolarHBondContact O-CG 3.44Å; D876-K880 PolarHBondContact O-N 2.73Å; D876-K880 IonicContact OD1-NZ 3.47Å; D876-K880 PolarHBondContact OD1-NZ 2.84Å; D876-K880 IonicContact OD2-NZ 3.75Å; D876-K880 PolarHBondContact OD2-NZ 3.32Å; K880-Q883 PolarHBondContact O-N 3.24Å; K880-A884 PolarHBondContact O-N 3Å |
| 881 | L | 64.6 | Low | 65.2 | Low | 113 Ų | 113 | 107 Ų | 107 | 59% | 0.592 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.8 | -41.1 | 174.1 | -168.3 | 76.3 | 0 | 0 | 0 | 111.9 | T877 L878 D879 V885 | T877-L881 WeakPolarHBondContact O-CB 3.35Å; T877-L881 PolarHBondContact O-N 3.03Å; L878-L881 WeakPolarHBondContact O-CB 3.41Å; L878-L881 PolarHBondContact O-N 3.4Å; D879-L881 VanDerWaalsContact C-N 3.32Å; D879-L881 PolarHBondContact O-N 3.04Å; L881-V885 VanDerWaalsContact O-CG2 3.29Å; L881-V885 WeakPolarHBondContact O-CG2 3.49Å; L881-V885 PolarHBondContact O-N 3.05Å |
| 882 | R | 69 | Low | 67 | Low | 144 Ų | 144 | 102.8 Ų | 102.8 | 54% | 0.543 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 174.4 | -75.4 | 163.3 | 165.9 | 173.9 | -1.6 | 112 | L878 D879 V885 M886 | L878-R882 WeakPolarHBondContact O-CG 3.22Å; L878-R882 PolarHBondContact O-N 2.85Å; D879-R882 WeakPolarHBondContact O-CB 3.14Å; D879-R882 PolarHBondContact O-N 2.94Å; D879-R882 WeakPolarHBondContact OD1-CD 3.34Å; D879-R882 IonicContact OD1-CZ 3.04Å; D879-R882 IonicContact OD1-NE 3.66Å; D879-R882 IonicContact OD1-NH1 2.79Å; D879-R882 PolarHBondContact OD1-NH1 3.12Å; R882-V885 PolarHBondContact O-N 3.48Å; R882-M886 WeakPolarHBondContact O-CG 3.49Å; R882-M886 PolarHBondContact O-N 2.95Å |
| 883 | Q | 74.9 | Confident | 68.7 | Low | 138 Ų | 138 | 103.8 Ų | 103.8 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.5 | -45.5 | 179.9 | -168.3 | 167.9 | 1.2 | 0 | 0 | 111.3 | D879 K880 V885 M886 E887 | D879-Q883 WeakPolarHBondContact O-CB 3.31Å; D879-Q883 PolarHBondContact O-N 3.44Å; K880-Q883 PolarHBondContact O-N 3.24Å; Q883-V885 VanDerWaalsContact C-N 3.32Å; Q883-V885 PolarHBondContact O-N 2.88Å; Q883-M886 PolarHBondContact O-N 3.12Å; Q883-E887 PolarHBondContact O-N 3.24Å |
| 884 | A | 75.9 | Confident | 70.5 | Confident | 53 Ų | 53 | 100.8 Ų | 100.8 | 44% | 0.438 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.1 | -35.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K880 L888 | K880-A884 PolarHBondContact O-N 3Å; A884-L888 VanDerWaalsContact O-CB 3.28Å; A884-L888 WeakPolarHBondContact O-CB 3.15Å; A884-L888 PolarHBondContact O-N 2.95Å |
| 885 | V | 78.9 | Confident | 71.8 | Confident | 91 Ų | 91 | 101.9 Ų | 101.9 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.7 | -37.4 | 175.2 | 167.2 | 0 | 0 | 0 | 0 | 112 | L881 R882 Q883 S889 | L881-V885 VanDerWaalsContact O-CG2 3.29Å; L881-V885 WeakPolarHBondContact O-CG2 3.49Å; L881-V885 PolarHBondContact O-N 3.05Å; R882-V885 PolarHBondContact O-N 3.48Å; Q883-V885 VanDerWaalsContact C-N 3.32Å; Q883-V885 PolarHBondContact O-N 2.88Å; V885-S889 WeakPolarHBondContact O-CB 3.36Å; V885-S889 PolarHBondContact O-N 3.04Å |
| 886 | M | 74.4 | Confident | 72.9 | Confident | 132 Ų | 132 | 105 Ų | 105 | 65% | 0.65 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.6 | -50.4 | 173.6 | -70.9 | -73.3 | -62.9 | 0 | 0 | 110.9 | R882 Q883 L888 S889 E890 | R882-M886 WeakPolarHBondContact O-CG 3.49Å; R882-M886 PolarHBondContact O-N 2.95Å; Q883-M886 PolarHBondContact O-N 3.12Å; M886-L888 PolarHBondContact O-N 2.98Å; M886-S889 WeakPolarHBondContact O-CA 3.33Å; M886-S889 WeakPolarHBondContact O-CB 3.22Å; M886-S889 PolarHBondContact O-N 2.84Å; M886-S889 PolarHBondContact O-OG 3.01Å; M886-E890 PolarHBondContact O-N 3.03Å |
| 887 | E | 81.6 | Confident | 74 | Confident | 113 Ų | 113 | 106.1 Ų | 106.1 | 53% | 0.528 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | -180 | -171.4 | 178.5 | 173.9 | 0 | 0 | 111.9 | Q883 S889 E890 Q891 | Q883-E887 PolarHBondContact O-N 3.24Å; E887-S889 VanDerWaalsContact C-N 3.29Å; E887-S889 PolarHBondContact O-N 2.93Å; E887-E890 PolarHBondContact O-N 3.13Å; E887-Q891 WeakPolarHBondContact O-CG 3.25Å; E887-Q891 PolarHBondContact O-N 2.9Å |
| 888 | L | 71.6 | Confident | 75 | Confident | 108 Ų | 108 | 104.3 Ų | 104.3 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.3 | -35.4 | 173.6 | -171 | 69.2 | 0 | 0 | 0 | 112.1 | A884 M886 V892 | A884-L888 VanDerWaalsContact O-CB 3.28Å; A884-L888 WeakPolarHBondContact O-CB 3.15Å; A884-L888 PolarHBondContact O-N 2.95Å; M886-L888 PolarHBondContact O-N 2.98Å; L888-V892 WeakPolarHBondContact O-CB 3.4Å; L888-V892 VanDerWaalsContact O-CG2 3.29Å; L888-V892 WeakPolarHBondContact O-CG2 3.24Å; L888-V892 PolarHBondContact O-N 2.96Å |
| 889 | S | 69.5 | Low | 75.5 | Confident | 67 Ų | 67 | 106 Ų | 106 | 47% | 0.469 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.2 | -35 | 177 | 81 | 0 | 0 | 0 | 0 | 112.7 | V885 M886 E887 L893 | V885-S889 WeakPolarHBondContact O-CB 3.36Å; V885-S889 PolarHBondContact O-N 3.04Å; M886-S889 WeakPolarHBondContact O-CA 3.33Å; M886-S889 WeakPolarHBondContact O-CB 3.22Å; M886-S889 PolarHBondContact O-N 2.84Å; M886-S889 PolarHBondContact O-OG 3.01Å; E887-S889 VanDerWaalsContact C-N 3.29Å; E887-S889 PolarHBondContact O-N 2.93Å; S889-L893 PolarHBondContact O-N 3.06Å |
| 890 | E | 82.1 | Confident | 75.9 | Confident | 125 Ų | 125 | 106.1 Ų | 106.1 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.9 | -43.8 | 175.9 | -172.4 | 171.2 | -166.3 | 0 | 0 | 111.5 | M886 E887 V892 L893 Q894 | M886-E890 PolarHBondContact O-N 3.03Å; E887-E890 PolarHBondContact O-N 3.13Å; E890-V892 VanDerWaalsContact C-N 3.32Å; E890-V892 PolarHBondContact O-N 2.84Å; E890-L893 WeakPolarHBondContact O-CB 3.45Å; E890-L893 PolarHBondContact O-N 3.21Å; E890-L893 VanDerWaalsContact O-N 3.09Å; E890-Q894 PolarHBondContact O-N 3.22Å |
| 891 | Q | 81.7 | Confident | 76.1 | Confident | 103 Ų | 103 | 104 Ų | 104 | 48% | 0.481 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 173.1 | -69.1 | 176.1 | 13.3 | 0 | 0 | 112.2 | E887 L893 Q894 M895 | E887-Q891 WeakPolarHBondContact O-CG 3.25Å; E887-Q891 PolarHBondContact O-N 2.9Å; Q891-L893 VanDerWaalsContact C-N 3.33Å; Q891-Q894 PolarHBondContact O-N 2.82Å; Q891-M895 WeakPolarHBondContact O-CB 3.44Å; Q891-M895 PolarHBondContact O-N 3Å |
| 892 | V | 80.6 | Confident | 76.5 | Confident | 77 Ų | 77 | 103.9 Ų | 103.9 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.7 | -33.9 | 174.8 | 168 | 0 | 0 | 0 | 0 | 111.8 | L888 E890 R896 | L888-V892 WeakPolarHBondContact O-CB 3.4Å; L888-V892 VanDerWaalsContact O-CG2 3.29Å; L888-V892 WeakPolarHBondContact O-CG2 3.24Å; L888-V892 PolarHBondContact O-N 2.96Å; E890-V892 VanDerWaalsContact C-N 3.32Å; E890-V892 PolarHBondContact O-N 2.84Å; V892-R896 WeakPolarHBondContact O-CB 3.45Å; V892-R896 PolarHBondContact O-N 3.3Å |
| 893 | L | 77.2 | Confident | 76.7 | Confident | 92 Ų | 92 | 104.9 Ų | 104.9 | 48% | 0.482 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.9 | -47.9 | 175.1 | -165.7 | 69.7 | 0 | 0 | 0 | 111.4 | S889 E890 Q891 M895 R896 E897 | S889-L893 PolarHBondContact O-N 3.06Å; E890-L893 WeakPolarHBondContact O-CB 3.45Å; E890-L893 PolarHBondContact O-N 3.21Å; E890-L893 VanDerWaalsContact O-N 3.09Å; Q891-L893 VanDerWaalsContact C-N 3.33Å; L893-M895 VanDerWaalsContact C-N 3.35Å; L893-M895 PolarHBondContact O-N 2.93Å; L893-R896 WeakPolarHBondContact O-CB 3.39Å; L893-R896 PolarHBondContact O-N 3.08Å; L893-R896 VanDerWaalsContact O-N 3.12Å; L893-E897 PolarHBondContact O-N 2.95Å |
| 894 | Q | 82 | Confident | 76.6 | Confident | 133 Ų | 133 | 104 Ų | 104 | 62% | 0.621 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -57.7 | -44.8 | 173.3 | -89.1 | -172.8 | -3.6 | 0 | 0 | 112.1 | E890 Q891 R896 E897 G898 | E890-Q894 PolarHBondContact O-N 3.22Å; Q891-Q894 PolarHBondContact O-N 2.82Å; Q894-R896 VanDerWaalsContact C-N 3.29Å; Q894-R896 PolarHBondContact O-N 2.8Å; Q894-E897 PolarHBondContact O-N 3.46Å; Q894-G898 PolarHBondContact O-N 3.03Å |
| 895 | M | 72.4 | Confident | 76.3 | Confident | 127 Ų | 127 | 103.9 Ų | 103.9 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62 | -37.6 | 176.8 | -175.8 | 175.7 | 60.6 | 0 | 0 | 111.7 | Q891 L893 G898 L899 | Q891-M895 WeakPolarHBondContact O-CB 3.44Å; Q891-M895 PolarHBondContact O-N 3Å; L893-M895 VanDerWaalsContact C-N 3.35Å; L893-M895 PolarHBondContact O-N 2.93Å; M895-G898 PolarHBondContact O-N 2.83Å; M895-L899 WeakPolarHBondContact O-CB 3.19Å; M895-L899 PolarHBondContact O-N 3.45Å |
| 896 | R | 77.7 | Confident | 75.8 | Confident | 147 Ų | 147 | 103 Ų | 103 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.2 | -35.8 | 175.6 | 176 | -179.8 | 179.6 | -89.2 | 4.7 | 112.6 | V892 L893 Q894 Q900 | V892-R896 WeakPolarHBondContact O-CB 3.45Å; V892-R896 PolarHBondContact O-N 3.3Å; L893-R896 WeakPolarHBondContact O-CB 3.39Å; L893-R896 PolarHBondContact O-N 3.08Å; L893-R896 VanDerWaalsContact O-N 3.12Å; Q894-R896 VanDerWaalsContact C-N 3.29Å; Q894-R896 PolarHBondContact O-N 2.8Å; R896-Q900 WeakPolarHBondContact O-CG 3.41Å; R896-Q900 PolarHBondContact O-N 3.01Å; R896-Q900 PolarHBondContact O-NE2 3.02Å |
| 897 | E | 80.3 | Confident | 75.3 | Confident | 105 Ų | 105 | 101.9 Ų | 101.9 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73.3 | -43.5 | 174.9 | -70.5 | 179.5 | 174.6 | 0 | 0 | 111.5 | L893 Q894 L899 Q900 S901 | L893-E897 PolarHBondContact O-N 2.95Å; Q894-E897 PolarHBondContact O-N 3.46Å; E897-L899 VanDerWaalsContact C-N 3.29Å; E897-L899 PolarHBondContact O-N 3.17Å; E897-Q900 WeakPolarHBondContact O-CB 3.4Å; E897-Q900 PolarHBondContact O-N 2.96Å; E897-S901 PolarHBondContact O-N 3.37Å; E897-S901 PolarHBondContact O-OG 2.73Å |
| 898 | G | 80.6 | Confident | 74.3 | Confident | 41 Ų | 41 | 103.2 Ų | 103.2 | 42% | 0.423 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -55.2 | -42.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q894 M895 Q900 S901 L902 | Q894-G898 PolarHBondContact O-N 3.03Å; M895-G898 PolarHBondContact O-N 2.83Å; G898-Q900 VanDerWaalsContact C-N 3.33Å; G898-Q900 PolarHBondContact O-N 3.45Å; G898-S901 PolarHBondContact O-N 3.21Å; G898-L902 WeakPolarHBondContact O-CB 3.49Å; G898-L902 PolarHBondContact O-N 2.83Å |
| 899 | L | 73.6 | Confident | 73.6 | Confident | 120 Ų | 120 | 104 Ų | 104 | 63% | 0.628 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.4 | -31.8 | 175.4 | -132.4 | 82.5 | 0 | 0 | 0 | 113.1 | M895 E897 R903 | M895-L899 WeakPolarHBondContact O-CB 3.19Å; M895-L899 PolarHBondContact O-N 3.45Å; E897-L899 VanDerWaalsContact C-N 3.29Å; E897-L899 PolarHBondContact O-N 3.17Å; L899-R903 VanDerWaalsContact O-CB 3.27Å; L899-R903 WeakPolarHBondContact O-CB 3.43Å; L899-R903 PolarHBondContact O-N 3Å |
| 900 | Q | 73.8 | Confident | 72.4 | Confident | 81 Ų | 81 | 107 Ų | 107 | 38% | 0.379 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -73.2 | -42.3 | 175.5 | -76.1 | 175.2 | 52.5 | 0 | 0 | 111.7 | R896 E897 G898 R903 Q904 | R896-Q900 WeakPolarHBondContact O-CG 3.41Å; R896-Q900 PolarHBondContact O-N 3.01Å; R896-Q900 PolarHBondContact O-NE2 3.02Å; E897-Q900 WeakPolarHBondContact O-CB 3.4Å; E897-Q900 PolarHBondContact O-N 2.96Å; G898-Q900 VanDerWaalsContact C-N 3.33Å; G898-Q900 PolarHBondContact O-N 3.45Å; Q900-R903 WeakPolarHBondContact O-CB 3.15Å; Q900-R903 PolarHBondContact O-N 2.84Å; Q900-Q904 WeakPolarHBondContact O-CG 3.43Å; Q900-Q904 PolarHBondContact O-N 2.72Å |
| 901 | S | 75.6 | Confident | 70.3 | Confident | 74 Ų | 74 | 104.2 Ų | 104.2 | 52% | 0.517 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 172.9 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | E897 G898 R903 Q904 A905 | E897-S901 PolarHBondContact O-N 3.37Å; E897-S901 PolarHBondContact O-OG 2.73Å; G898-S901 PolarHBondContact O-N 3.21Å; S901-R903 VanDerWaalsContact C-N 3.34Å; S901-R903 PolarHBondContact O-N 2.75Å; S901-Q904 PolarHBondContact O-N 3.49Å; S901-A905 PolarHBondContact O-N 2.92Å |
| 902 | L | 74.2 | Confident | 68.3 | Low | 111 Ų | 111 | 104.9 Ų | 104.9 | 58% | 0.581 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61 | -42.8 | 173.9 | -170.2 | 73.5 | 0 | 0 | 0 | 111.5 | G898 Q904 A905 V906 | G898-L902 WeakPolarHBondContact O-CB 3.49Å; G898-L902 PolarHBondContact O-N 2.83Å; L902-Q904 PolarHBondContact O-N 3.28Å; L902-A905 PolarHBondContact O-N 3.49Å; L902-V906 WeakPolarHBondContact O-CB 3.43Å; L902-V906 VanDerWaalsContact O-CG2 3.31Å; L902-V906 WeakPolarHBondContact O-CG2 3.32Å; L902-V906 PolarHBondContact O-N 2.94Å |
| 903 | R | 71.9 | Confident | 66 | Low | 164 Ų | 164 | 110.5 Ų | 110.5 | 62% | 0.619 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.9 | -41.4 | 174.9 | 174.8 | 179.6 | 169.5 | 177.8 | -0.8 | 112.2 | L899 Q900 S901 V906 Q907 | L899-R903 VanDerWaalsContact O-CB 3.27Å; L899-R903 WeakPolarHBondContact O-CB 3.43Å; L899-R903 PolarHBondContact O-N 3Å; Q900-R903 WeakPolarHBondContact O-CB 3.15Å; Q900-R903 PolarHBondContact O-N 2.84Å; S901-R903 VanDerWaalsContact C-N 3.34Å; S901-R903 PolarHBondContact O-N 2.75Å; R903-V906 PolarHBondContact O-N 3.22Å; R903-Q907 WeakPolarHBondContact O-CB 3.47Å; R903-Q907 VanDerWaalsContact O-CG 3.28Å; R903-Q907 WeakPolarHBondContact O-CG 3.21Å; R903-Q907 PolarHBondContact O-N 3.32Å |
| 904 | Q | 73 | Confident | 63.9 | Low | 121 Ų | 121 | 117.3 Ų | 117.3 | 57% | 0.565 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.9 | -43.3 | 176.6 | -72.7 | 178.7 | 8.2 | 0 | 0 | 111.5 | Q900 S901 L902 V906 Q907 L908 | Q900-Q904 WeakPolarHBondContact O-CG 3.43Å; Q900-Q904 PolarHBondContact O-N 2.72Å; S901-Q904 PolarHBondContact O-N 3.49Å; L902-Q904 PolarHBondContact O-N 3.28Å; Q904-V906 PolarHBondContact O-N 3.33Å; Q904-Q907 PolarHBondContact O-N 2.93Å; Q904-L908 WeakPolarHBondContact O-CG 3.46Å; Q904-L908 PolarHBondContact O-N 2.97Å |
| 905 | A | 70.8 | Confident | 61.5 | Low | 49 Ų | 49 | 119.8 Ų | 119.8 | 41% | 0.405 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -59.7 | -45.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | S901 L902 Q907 L908 V909 | S901-A905 PolarHBondContact O-N 2.92Å; L902-A905 PolarHBondContact O-N 3.49Å; A905-Q907 VanDerWaalsContact C-N 3.33Å; A905-Q907 PolarHBondContact O-N 2.83Å; A905-L908 PolarHBondContact O-N 2.92Å; A905-V909 WeakPolarHBondContact O-CG2 3.49Å; A905-V909 PolarHBondContact O-N 3.46Å |
| 906 | V | 66.8 | Low | 59.5 | Low | 72 Ų | 72 | 116.6 Ų | 116.6 | 44% | 0.436 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.2 | -35.6 | 175.3 | 169 | 0 | 0 | 0 | 0 | 111.9 | L902 R903 Q904 V909 L910 | L902-V906 WeakPolarHBondContact O-CB 3.43Å; L902-V906 VanDerWaalsContact O-CG2 3.31Å; L902-V906 WeakPolarHBondContact O-CG2 3.32Å; L902-V906 PolarHBondContact O-N 2.94Å; R903-V906 PolarHBondContact O-N 3.22Å; Q904-V906 PolarHBondContact O-N 3.33Å; V906-V909 PolarHBondContact O-N 3.34Å; V906-L910 HydrophobicContact CG1-CD1 3.69Å; V906-L910 HydrophobicContact CG1-CG 4.4Å; V906-L910 VanDerWaalsContact O-CB 3.32Å; V906-L910 WeakPolarHBondContact O-CB 3.36Å; V906-L910 WeakPolarHBondContact O-CG 3.33Å; V906-L910 PolarHBondContact O-N 3.4Å |
| 907 | Q | 65.1 | Low | 57.4 | Low | 110 Ų | 110 | 116.1 Ų | 116.1 | 51% | 0.514 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70.5 | -30.8 | 174.5 | -75.7 | -176.2 | -68.2 | 0 | 0 | 113.2 | R903 Q904 A905 A911 | R903-Q907 WeakPolarHBondContact O-CB 3.47Å; R903-Q907 VanDerWaalsContact O-CG 3.28Å; R903-Q907 WeakPolarHBondContact O-CG 3.21Å; R903-Q907 PolarHBondContact O-N 3.32Å; Q904-Q907 PolarHBondContact O-N 2.93Å; A905-Q907 VanDerWaalsContact C-N 3.33Å; A905-Q907 PolarHBondContact O-N 2.83Å; Q907-A911 PolarHBondContact O-N 2.88Å |
| 908 | L | 59.8 | Low | 54.9 | Low | 141 Ų | 141 | 117 Ų | 117 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.6 | -39.3 | 171.6 | -74.9 | 164.5 | 0 | 0 | 0 | 111.8 | Q904 A905 | Q904-L908 WeakPolarHBondContact O-CG 3.46Å; Q904-L908 PolarHBondContact O-N 2.97Å; A905-L908 PolarHBondContact O-N 2.92Å |
| 909 | V | 58.2 | Low | 52.7 | Low | 124 Ų | 124 | 120.8 Ų | 120.8 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72 | -28.9 | 177 | 172.5 | 0 | 0 | 0 | 0 | 112.7 | A905 V906 | A905-V909 WeakPolarHBondContact O-CG2 3.49Å; A905-V909 PolarHBondContact O-N 3.46Å; V906-V909 PolarHBondContact O-N 3.34Å |
| 910 | L | 43.4 | Very low | 50.6 | Low | 131 Ų | 131 | 127.1 Ų | 127.1 | 69% | 0.686 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 8.8 | 179.4 | -68.4 | 174 | 0 | 0 | 0 | 114.4 | V906 P912 | V906-L910 HydrophobicContact CG1-CD1 3.69Å; V906-L910 HydrophobicContact CG1-CG 4.4Å; V906-L910 VanDerWaalsContact O-CB 3.32Å; V906-L910 WeakPolarHBondContact O-CB 3.36Å; V906-L910 WeakPolarHBondContact O-CG 3.33Å; V906-L910 PolarHBondContact O-N 3.4Å; L910-P912 VanDerWaalsContact O-CD 3.28Å; L910-P912 WeakPolarHBondContact O-CD 3.48Å |
| 911 | A | 37.8 | Very low | 48.4 | Very low | 66 Ų | 66 | 128.3 Ų | 128.3 | 55% | 0.545 | 70% | 0.701 | S | S | . | * | trans | -75.1 | 114.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q907 | Q907-A911 PolarHBondContact O-N 2.88Š| ||
| 912 | P | 38.9 | Very low | 46.2 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 76% | 0.76 | 72% | 0.718 | S | S | * | * | trans | -69.6 | 139.3 | 176.8 | 29.5 | -34.4 | 0 | 0 | 0 | 110.6 | L910 R914 | L910-P912 VanDerWaalsContact O-CD 3.28Å; L910-P912 WeakPolarHBondContact O-CD 3.48Å; P912-R914 PolarHBondContact O-N 3.34Å | ||
| 913 | H | 34.1 | Very low | 44 | Very low | 195 Ų | 195 | 129.1 Ų | 129.1 | 90% | 0.903 | 73% | 0.729 | S | S | * | * | trans | -56.9 | 112.8 | 177.4 | -126.8 | -86.9 | 0 | 0 | 0 | 110.1 | E915 | H913-E915 PolarHBondContact O-N 3.38Š| ||
| 914 | R | 31.9 | Very low | 42.1 | Very low | 235 Ų | 235 | 131 Ų | 131 | 89% | 0.887 | 74% | 0.744 | S | S | * | * | trans | -95.6 | 96 | -174.1 | -169 | 179.3 | -171.5 | 179.2 | 2.6 | 110 | P912 | P912-R914 PolarHBondContact O-N 3.34Š| ||
| 915 | E | 31 | Very low | 39.9 | Very low | 184 Ų | 184 | 128.8 Ų | 128.8 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | -57.1 | 137.8 | 175.2 | -64.1 | -173.2 | 139.8 | 0 | 0 | 111.8 | H913 | H913-E915 PolarHBondContact O-N 3.38Š| ||
| 916 | G | 32.1 | Very low | 38.5 | Very low | 61 Ų | 61 | 132.8 Ų | 132.8 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | -82.1 | 148.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | C918 | G916-C918 PolarHBondContact O-N 2.96Š| ||
| 917 | P | 33.4 | Very low | 36.6 | Very low | 137 Ų | 137 | 135 Ų | 135 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | trans | -74.9 | 115.9 | -176.8 | 29.8 | -34.2 | 0 | 0 | 0 | 112.2 | ||||
| 918 | C | 27.6 | Very low | 35.5 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 152.7 | 164.3 | -89.5 | 0 | 0 | 0 | 0 | 112.2 | G916 | G916-C918 PolarHBondContact O-N 2.96Š|
| 919 | P | 34.4 | Very low | 34 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 162.5 | -172.7 | 31.9 | -36.5 | 0 | 0 | 0 | 113.8 | ||
| 920 | R | 28.9 | Very low | 32.6 | Very low | 254 Ų | 254 | 132.8 Ų | 132.8 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 131.5 | 174.2 | -80.4 | 175 | 160.1 | 147.7 | -6 | 112.2 | ||
| 921 | A | 27.7 | Very low | 31.8 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | trans | -120.2 | 159.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 922 | S | 29.8 | Very low | 31.4 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 88% | 0.881 | 82% | 0.824 | S | S | * | * | trans | -113.4 | 135.3 | -176.3 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 923 | G | 28.5 | Very low | 30.9 | Very low | 77 Ų | 77 | 131.1 Ų | 131.1 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | -165.7 | 156.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 924 | E | 30.3 | Very low | 30.6 | Very low | 204 Ų | 204 | 129.4 Ų | 129.4 | 95% | 0.953 | 82% | 0.82 | S | S | * | * | trans | -87.2 | 172.7 | -170.8 | -66.7 | 162.6 | 116.5 | 0 | 0 | 113 | ||||
| 925 | G | 28.2 | Very low | 30.4 | Very low | 74 Ų | 74 | 124.5 Ų | 124.5 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | -88.5 | -157.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 926 | P | 41.5 | Very low | 30.3 | Very low | 132 Ų | 132 | 123.8 Ų | 123.8 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | cis | -124.8 | -170.1 | 7 | 42.1 | -26.7 | 0 | 0 | 0 | 114.7 | ||||
| 927 | C | 26.8 | Very low | 30.7 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -73.8 | 162.3 | 179.6 | -43.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 928 | P | 41.9 | Very low | 30.3 | Very low | 120 Ų | 120 | 127 Ų | 127 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | -153.3 | 152.7 | 87.1 | 39.9 | -21.8 | 0 | 0 | 0 | 119.3 | |||||
| 929 | A | 26.9 | Very low | 30.3 | Very low | 88 Ų | 88 | 127.7 Ų | 127.7 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | 58.5 | 154.1 | 135.5 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 930 | S | 29 | Very low | 30 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | 65.9 | 164.7 | 168.4 | 78.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 931 | A | 27.7 | Very low | 29.8 | Very low | 79 Ų | 79 | 122 Ų | 122 | 65% | 0.653 | 80% | 0.8 | S | S | * | * | cis | 179.8 | 123.3 | -32.4 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 932 | S | 29.2 | Very low | 29.7 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | 82.8 | 136.8 | 103.7 | -60.1 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 933 | G | 28.4 | Very low | 29.5 | Very low | 72 Ų | 72 | 121 Ų | 121 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | 102.2 | 130.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 934 | L | 28.5 | Very low | 29.4 | Very low | 159 Ų | 159 | 122.1 Ų | 122.1 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | cis | 118.8 | 109.2 | 13 | -82.2 | 170.2 | 0 | 0 | 0 | 111 | ||||
| 935 | L | 27.7 | Very low | 29.3 | Very low | 133 Ų | 133 | 117.4 Ų | 117.4 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | trans | 55.5 | 115.2 | 143.7 | -61.4 | 172.4 | 0 | 0 | 0 | 121.4 | ||||
| 936 | Q | 28.4 | Very low | 29.2 | Very low | 168 Ų | 168 | 117.7 Ų | 117.7 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | 70.6 | 168.9 | 130.7 | -72.2 | 178.9 | -42.9 | 0 | 0 | 118.9 | ||||
| 937 | P | 40.1 | Very low | 28.5 | Very low | 119 Ų | 119 | 122 Ų | 122 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | cis | -118.4 | -168.7 | -4.7 | 21.5 | 2.5 | 0 | 0 | 0 | 113.9 | ||||
| 938 | L | 25.8 | Very low | 28.5 | Very low | 146 Ų | 146 | 121.8 Ų | 121.8 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -71.8 | 152.3 | 172.2 | -64 | 79.4 | 0 | 0 | 0 | 111.9 | ||||
| 939 | C | 26.5 | Very low | 27.7 | Very low | 137 Ų | 137 | 124.2 Ų | 124.2 | 93% | 0.926 | 78% | 0.78 | S | S | * | * | trans | -126.9 | 144 | 142.5 | -72.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 940 | V | 28.1 | Very low | 27.6 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 71% | 0.709 | 78% | 0.784 | S | S | * | * | trans | -131.4 | 119.3 | 172.8 | 172.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 941 | D | 24.7 | Very low | 28.9 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -164 | 118.4 | 154.6 | -101.8 | -42.2 | 0 | 0 | 0 | 107.1 | ||||
| 942 | T | 25.7 | Very low | 29.6 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | 68.1 | 145.8 | 84.9 | 71.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 943 | G | 26.3 | Very low | 29.5 | Very low | 79 Ų | 79 | 128.5 Ų | 128.5 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | 125 | 131.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 944 | A | 26.4 | Very low | 29.4 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -143 | 165.9 | -171 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 945 | S | 27.1 | Very low | 29.5 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 79.5 | 131.1 | 160.2 | -165.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 946 | S | 26.4 | Very low | 29.5 | Very low | 80 Ų | 80 | 126.4 Ų | 126.4 | 56% | 0.559 | 78% | 0.784 | S | S | * | * | trans | 63.6 | 148 | 149.3 | 51.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 947 | Y | 27.5 | Very low | 29.5 | Very low | 223 Ų | 223 | 126.1 Ų | 126.1 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | cis | -136.5 | 172.5 | 26.8 | -83.4 | -86.8 | 0 | 0 | 0 | 114.8 | ||||
| 948 | C | 25.6 | Very low | 29.1 | Very low | 113 Ų | 113 | 125.9 Ų | 125.9 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -72.9 | 150 | 173.3 | -178.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 949 | L | 25.1 | Very low | 29.2 | Very low | 172 Ų | 172 | 122 Ų | 122 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | -167.6 | 154.4 | 134.3 | -104.4 | 163.8 | 0 | 0 | 0 | 111.6 | ||||
| 950 | Q | 26.2 | Very low | 29.3 | Very low | 177 Ų | 177 | 121.8 Ų | 121.8 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | -117.2 | -174.2 | -177 | -120.2 | -160.9 | -53.1 | 0 | 0 | 111.1 | ||||
| 951 | P | 54.7 | Low | 29.2 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | trans | -92.9 | -173.4 | -145.7 | 44.2 | -40.5 | 0 | 0 | 0 | 113.4 | ||||
| 952 | P | 43.5 | Very low | 30.1 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | -154.6 | 172.9 | 90.5 | 40.8 | -22.4 | 0 | 0 | 0 | 117.6 | |||||
| 953 | A | 26.5 | Very low | 30.5 | Very low | 107 Ų | 107 | 126 Ų | 126 | 88% | 0.884 | 78% | 0.779 | S | S | * | * | trans | 65.3 | 147.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 954 | G | 27.5 | Very low | 31.4 | Very low | 65 Ų | 65 | 127.9 Ų | 127.9 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | cis | 162 | 177.2 | -10 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 955 | S | 29.4 | Very low | 31.5 | Very low | 125 Ų | 125 | 134 Ų | 134 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | 77.4 | 147.7 | 166 | 86.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 956 | V | 28.4 | Very low | 32.3 | Very low | 130 Ų | 130 | 135 Ų | 135 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | cis | -165.4 | 176.2 | -29.3 | 95.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 957 | L | 28.9 | Very low | 32.2 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | 83.4 | 150.5 | 177.4 | -52.9 | 179.3 | 0 | 0 | 0 | 117.4 | ||||
| 958 | S | 29.8 | Very low | 33.1 | Very low | 114 Ų | 114 | 129.9 Ų | 129.9 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | cis | 165.6 | 140.4 | -35.1 | 176.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 959 | G | 29.6 | Very low | 34.6 | Very low | 65 Ų | 65 | 129.7 Ų | 129.7 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | cis | -129.1 | -127 | -6.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 960 | T | 27 | Very low | 35.6 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | cis | -156.9 | 174.1 | -2.9 | 41.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 961 | W | 27.6 | Very low | 35.6 | Very low | 209 Ų | 209 | 125.2 Ų | 125.2 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | -131.5 | 174.8 | -174.1 | -65.6 | 89.5 | 0 | 0 | 0 | 113.3 | H963 | W961-H963 AromaticContact CE3-CD2 3.55Å; W961-H963 AromaticContact CE3-NE2 3.94Å; W961-H963 AromaticContact CH2-NE2 3.97Å; W961-H963 AromaticContact CZ3-CD2 3.39Å; W961-H963 WeakPolarHBondContact CZ3-CD2 3.42Å; W961-H963 AromaticContact CZ3-NE2 3.28Å; W961-H963 VanDerWaalsContact CZ3-NE2 3.28Å; W961-H963 WeakPolarHBondContact CZ3-NE2 3.5Å | ||
| 962 | P | 43.9 | Very low | 34.3 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | -139.6 | 166.8 | 85.3 | 34 | -16.5 | 0 | 0 | 0 | 116.6 | |||||
| 963 | H | 33.5 | Very low | 33.7 | Very low | 140 Ų | 140 | 127 Ų | 127 | 65% | 0.648 | 78% | 0.778 | S | S | * | * | trans | -130.6 | 161.3 | 176.6 | -100.5 | -57.2 | 0 | 0 | 0 | 110.6 | W961 | W961-H963 AromaticContact CE3-CD2 3.55Å; W961-H963 AromaticContact CE3-NE2 3.94Å; W961-H963 AromaticContact CH2-NE2 3.97Å; W961-H963 AromaticContact CZ3-CD2 3.39Å; W961-H963 WeakPolarHBondContact CZ3-CD2 3.42Å; W961-H963 AromaticContact CZ3-NE2 3.28Å; W961-H963 VanDerWaalsContact CZ3-NE2 3.28Å; W961-H963 WeakPolarHBondContact CZ3-NE2 3.5Å | ||
| 964 | P | 44.2 | Very low | 34.4 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | -132.4 | 149 | 115.7 | 35.4 | -25.8 | 0 | 0 | 0 | 112 | |||||
| 965 | R | 29.6 | Very low | 34.7 | Very low | 230 Ų | 230 | 136 Ų | 136 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | cis | 78.3 | 148.1 | 37.3 | -71.9 | -166.2 | 173.3 | -154.2 | 0.4 | 114.7 | ||||
| 966 | P | 43.1 | Very low | 35.5 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | cis | -130.1 | -173 | 6.2 | 41.2 | -23.6 | 0 | 0 | 0 | 116.3 | ||||
| 967 | G | 25.6 | Very low | 35.6 | Very low | 67 Ų | 67 | 140.2 Ų | 140.2 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | -115.9 | -139.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 968 | P | 45.4 | Very low | 35.4 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | cis | -129.8 | -103.3 | -7.1 | 22.8 | 4.3 | 0 | 0 | 0 | 118.7 | ||||
| 969 | P | 56.5 | Low | 36.6 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | trans | -115.2 | -153.6 | -133.7 | 39.9 | -18.2 | 0 | 0 | 0 | 113.2 | ||||
| 970 | P | 45.9 | Very low | 37.3 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | cis | -150.9 | 178.5 | 5 | 45.7 | -24.4 | 0 | 0 | 0 | 121.6 | ||||
| 971 | L | 27.9 | Very low | 37.5 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | 78.9 | 144.1 | 139.2 | -84.3 | 163.9 | 0 | 0 | 0 | 125.9 | ||||
| 972 | M | 26.2 | Very low | 37.8 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 82% | 0.823 | 77% | 0.772 | S | S | * | * | trans | 66.7 | 138.1 | 166.7 | -54.7 | -165.1 | 178.5 | 0 | 0 | 118.9 | ||||
| 973 | A | 31.3 | Very low | 37 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | cis | 83.7 | 148.1 | 19 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 974 | P | 41.8 | Very low | 36.7 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | cis | -131.6 | -147.2 | 6.7 | 44.2 | -24.7 | 0 | 0 | 0 | 115.3 | ||||
| 975 | W | 32.5 | Very low | 35.9 | Very low | 241 Ų | 241 | 131.5 Ų | 131.5 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | trans | -120.3 | -164.8 | -176.3 | -56.7 | 34 | 0 | 0 | 0 | 110.5 | ||||
| 976 | P | 47.7 | Very low | 36.9 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 62% | 0.623 | 76% | 0.76 | S | S | * | * | cis | -140 | -161.8 | -6.7 | 31.4 | -4.6 | 0 | 0 | 0 | 116.2 | ||||
| 977 | W | 28.9 | Very low | 36.1 | Very low | 248 Ų | 248 | 130.5 Ų | 130.5 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | trans | 77.1 | 165.1 | 172.5 | -56.2 | 105.1 | 0 | 0 | 0 | 117.6 | ||||
| 978 | G | 26.5 | Very low | 37 | Very low | 67 Ų | 67 | 132.2 Ų | 132.2 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | cis | -167.4 | -174.7 | 2.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 979 | P | 53.9 | Low | 36.1 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | trans | -110.6 | 175.3 | -167.1 | 43.9 | -36.8 | 0 | 0 | 0 | 115.6 | ||||
| 980 | P | 44.9 | Very low | 34.7 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | -143 | 140.4 | 89.5 | 38.3 | -21.7 | 0 | 0 | 0 | 115.3 | |||||
| 981 | A | 31.4 | Very low | 33.8 | Very low | 95 Ų | 95 | 139 Ų | 139 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | 74.4 | 139.7 | 99.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 982 | S | 32.8 | Very low | 33.7 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | cis | -165.2 | -171 | -0.1 | 45.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 983 | Q | 27.6 | Very low | 33.7 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | cis | -143.1 | -107.3 | 18.5 | -60.9 | 178.5 | 7 | 0 | 0 | 113.8 | ||||
| 984 | S | 27.6 | Very low | 33.5 | Very low | 90 Ų | 90 | 142.2 Ų | 142.2 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | trans | -116.1 | 150.6 | -168 | 45.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 985 | S | 27.4 | Very low | 32.7 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | cis | 74 | 157.3 | 38.2 | 90.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 986 | P | 50.1 | Low | 32.2 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | cis | -141 | -163.8 | 10.1 | 25.7 | 2.6 | 0 | 0 | 0 | 116.8 | ||||
| 987 | W | 26.7 | Very low | 31.2 | Very low | 234 Ų | 234 | 136.1 Ų | 136.1 | 89% | 0.886 | 77% | 0.768 | S | S | * | * | trans | 90.1 | 152.2 | 163 | -64.7 | 105.7 | 0 | 0 | 0 | 120.4 | ||||
| 988 | P | 43.3 | Very low | 31.1 | Very low | 104 Ų | 104 | 129 Ų | 129 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | trans | -148.4 | -151.2 | -133.6 | 45.9 | -22.2 | 0 | 0 | 0 | 116.1 | ||||
| 989 | R | 28 | Very low | 31.1 | Very low | 244 Ų | 244 | 132.8 Ų | 132.8 | 92% | 0.921 | 76% | 0.76 | S | S | * | * | trans | -43 | 146.6 | 167.1 | -62.6 | 170.8 | 170.5 | 169.3 | -5.2 | 114.9 | ||||
| 990 | A | 27 | Very low | 29.7 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | -159.4 | 164.5 | 136.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 991 | T | 26.4 | Very low | 28.8 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | trans | -117.4 | 158.2 | 172 | 46.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 992 | A | 26.3 | Very low | 29.7 | Very low | 85 Ų | 85 | 136 Ų | 136 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | trans | 86.4 | 132.1 | 151.9 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 993 | F | 25.5 | Very low | 30.7 | Very low | 180 Ų | 180 | 136.3 Ų | 136.3 | 79% | 0.789 | 76% | 0.76 | S | S | * | * | trans | 79.4 | 111.7 | 138 | -86.6 | -126 | 0 | 0 | 0 | 123.2 | ||||
| 994 | W | 27.1 | Very low | 30.8 | Very low | 212 Ų | 212 | 132.1 Ų | 132.1 | 80% | 0.803 | 76% | 0.756 | S | S | * | * | trans | 80.4 | 141.2 | 134.3 | -78.9 | 60.3 | 0 | 0 | 0 | 123.7 | ||||
| 995 | T | 24.4 | Very low | 30.9 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | 74.9 | 108.2 | 148.7 | 36 | 0 | 0 | 0 | 0 | 124 | ||||
| 996 | S | 23.5 | Very low | 30.9 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | 93 | 142.6 | 109 | -163.5 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 997 | T | 25.6 | Very low | 29.9 | Very low | 115 Ų | 115 | 134 Ų | 134 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 61.3 | 110.9 | 152.7 | 34.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 998 | S | 26.6 | Very low | 30 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | 75.1 | 146.6 | 81.2 | 81 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 999 | D | 26 | Very low | 29.2 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | cis | -162.5 | -179.9 | 7.6 | -139.3 | -39.5 | 0 | 0 | 0 | 111.6 | ||||
| 1000 | S | 25.9 | Very low | 29.1 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | 76.4 | 144.3 | 155.3 | -59.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1001 | E | 26.1 | Very low | 29 | Very low | 183 Ų | 183 | 127.2 Ų | 127.2 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | -99.5 | -149.4 | 170.7 | -60.9 | 178.9 | 82.2 | 0 | 0 | 111.2 | ||||
| 1002 | P | 50.4 | Low | 29.6 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | -119.4 | -124.9 | -84 | 37.5 | -18 | 0 | 0 | 0 | 110.4 | |||||
| 1003 | P | 53.2 | Low | 29.6 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | cis | -124.6 | -174.7 | -47.9 | 38.8 | -23.5 | 0 | 0 | 0 | 114.6 | ||||
| 1004 | A | 29.2 | Very low | 29.8 | Very low | 94 Ų | 94 | 123.7 Ų | 123.7 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | trans | 70.9 | 156.6 | 149.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1005 | S | 29.6 | Very low | 31 | Very low | 116 Ų | 116 | 118.8 Ų | 118.8 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | cis | -171.4 | 148 | -16.5 | 48.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1006 | G | 27.5 | Very low | 31 | Very low | 72 Ų | 72 | 118.1 Ų | 118.1 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | trans | 80.9 | 166 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1007 | D | 29.7 | Very low | 31.2 | Very low | 145 Ų | 145 | 118.7 Ų | 118.7 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | cis | -166.9 | 151 | -22.2 | -141.8 | -22.2 | 0 | 0 | 0 | 111.9 | ||||
| 1008 | L | 28 | Very low | 32 | Very low | 149 Ų | 149 | 118.8 Ų | 118.8 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | trans | 59.5 | 156.2 | 166.7 | -62.8 | 155.5 | 0 | 0 | 0 | 117.6 | ||||
| 1009 | C | 26.1 | Very low | 33 | Very low | 104 Ų | 104 | 119.7 Ų | 119.7 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | cis | -158 | 167.5 | 1 | -141.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1010 | S | 26.5 | Very low | 34 | Very low | 112 Ų | 112 | 118.7 Ų | 118.7 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | 76.9 | 124.4 | 150.1 | -57.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1011 | E | 25.2 | Very low | 34.1 | Very low | 177 Ų | 177 | 117.6 Ų | 117.6 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | trans | -33.4 | 167.1 | 155.9 | -81.5 | -157.8 | 106 | 0 | 0 | 119.8 | ||||
| 1012 | P | 39.8 | Very low | 34.4 | Very low | 110 Ų | 110 | 117.6 Ų | 117.6 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | cis | -149.6 | 175.2 | 38.2 | 42.9 | -21.8 | 0 | 0 | 0 | 121.9 | ||||
| 1013 | S | 25.4 | Very low | 33.4 | Very low | 90 Ų | 90 | 121.3 Ų | 121.3 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | trans | 67.7 | 91.5 | 147.4 | 57.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1014 | T | 30.7 | Very low | 32.1 | Very low | 130 Ų | 130 | 119.4 Ų | 119.4 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | 4.8 | 170 | 113.3 | 44.1 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1015 | P | 51.5 | Low | 32 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | cis | -141.4 | 175.8 | -29.2 | 36.9 | -19.4 | 0 | 0 | 0 | 115.4 | ||||
| 1016 | A | 24.9 | Very low | 31.9 | Very low | 103 Ų | 103 | 125 Ų | 125 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -148.7 | 119.4 | 144.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1017 | S | 26.5 | Very low | 32.1 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -85.1 | -161 | 177.2 | -42.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1018 | P | 43.9 | Very low | 31.9 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | cis | -138.4 | -150.3 | 0.9 | 36 | -8.7 | 0 | 0 | 0 | 113.1 | ||||
| 1019 | P | 45.8 | Very low | 33.2 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | -133.1 | -138.3 | -79.1 | 49.5 | -31.8 | 0 | 0 | 0 | 113.1 | |||||
| 1020 | P | 47 | Very low | 34.6 | Very low | 124 Ų | 124 | 123.4 Ų | 123.4 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -134.3 | -140.2 | -135.1 | 40.6 | -12.9 | 0 | 0 | 0 | 115.4 | ||||
| 1021 | S | 28.8 | Very low | 34.6 | Very low | 89 Ų | 89 | 126.2 Ų | 126.2 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | trans | -93.6 | 168.2 | -171.6 | 52.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1022 | E | 31.8 | Very low | 35.6 | Very low | 182 Ų | 182 | 123.3 Ų | 123.3 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | 51.6 | 156.8 | 146.3 | -73.1 | 170.5 | 167.3 | 0 | 0 | 120.4 | ||||
| 1023 | E | 30.1 | Very low | 34.9 | Very low | 188 Ų | 188 | 123.3 Ų | 123.3 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | cis | -163.8 | 153 | -21.3 | 173.4 | 178.6 | -135 | 0 | 0 | 106.3 | ||||
| 1024 | G | 27 | Very low | 35 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 147.2 | 128.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1025 | A | 26.7 | Very low | 34.8 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | 62.1 | 118.2 | 135.9 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1026 | R | 27.7 | Very low | 33.7 | Very low | 231 Ų | 231 | 125 Ų | 125 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | 66.4 | 106.2 | 126.9 | -70.4 | -171.3 | 177.4 | -171.1 | 0.5 | 123.6 | |||||
| 1027 | T | 30.3 | Very low | 34 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | 63.8 | 96.9 | 124.1 | 59.8 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1028 | G | 26.8 | Very low | 34.1 | Very low | 75 Ų | 75 | 127.6 Ų | 127.6 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | 62.6 | -178.4 | 135.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1029 | P | 55 | Low | 33.3 | Very low | 127 Ų | 127 | 128 Ų | 128 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | cis | -123.4 | -145.2 | -9.7 | 41.1 | -22.3 | 0 | 0 | 0 | 111.1 | ||||
| 1030 | P | 54.4 | Low | 32.6 | Very low | 101 Ų | 101 | 126.8 Ų | 126.8 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | -122.9 | 170.4 | -53.4 | 30.5 | -12.1 | 0 | 0 | 0 | 115.4 | |||||
| 1031 | E | 27.9 | Very low | 31.7 | Very low | 171 Ų | 171 | 128 Ų | 128 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | 59.4 | 176 | 151.7 | -77.2 | -179.5 | 171.4 | 0 | 0 | 119.7 | ||||
| 1032 | P | 44.9 | Very low | 31.6 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | cis | -106.3 | 154.2 | -10 | 36 | -22.6 | 0 | 0 | 0 | 113.4 | ||||
| 1033 | V | 26 | Very low | 31.4 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 67% | 0.667 | 78% | 0.78 | S | S | * | * | 75.5 | 119.4 | 65.1 | -179 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1034 | S | 27.9 | Very low | 32.4 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | 64.2 | 166.6 | 157 | 89.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1035 | Q | 26.6 | Very low | 33.6 | Very low | 179 Ų | 179 | 125.8 Ų | 125.8 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | cis | -153.4 | -178.4 | -21 | -127 | 160.6 | -6 | 0 | 0 | 111.4 | ||||
| 1036 | A | 28 | Very low | 34.7 | Very low | 85 Ų | 85 | 126.2 Ų | 126.2 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | trans | -36.4 | 170.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1037 | E | 30.1 | Very low | 34.8 | Very low | 184 Ų | 184 | 121.3 Ų | 121.3 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | cis | -142.9 | 170.1 | 31.8 | -71.5 | -176.9 | 93.2 | 0 | 0 | 116.2 | ||||
| 1038 | A | 29.4 | Very low | 34.8 | Very low | 83 Ų | 83 | 120.5 Ų | 120.5 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | trans | -16 | 161 | 150.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1039 | T | 28.2 | Very low | 34.8 | Very low | 125 Ų | 125 | 120.8 Ų | 120.8 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | cis | -153.1 | 135 | 45.4 | 25.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1040 | S | 30.3 | Very low | 33.4 | Very low | 94 Ų | 94 | 118.4 Ų | 118.4 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | trans | 7.8 | 138.4 | 133.2 | 59.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1041 | T | 28.1 | Very low | 32 | Very low | 149 Ų | 149 | 122.2 Ų | 122.2 | 91% | 0.914 | 78% | 0.775 | S | S | * | * | 172.9 | 156.4 | 110.1 | 32.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1042 | G | 26.6 | Very low | 32 | Very low | 80 Ų | 80 | 118.3 Ų | 118.3 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | 123.4 | 103.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1043 | E | 28.3 | Very low | 31 | Very low | 189 Ų | 189 | 120.5 Ų | 120.5 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -118.2 | -172.3 | 173.4 | -134.8 | -153.6 | 135.2 | 0 | 0 | 110.3 | ||||
| 1044 | P | 51 | Low | 31.3 | Very low | 97 Ų | 97 | 120.5 Ų | 120.5 | 63% | 0.63 | 78% | 0.779 | S | S | * | * | -112.6 | -153.6 | -128.7 | 44.3 | -27.2 | 0 | 0 | 0 | 112.1 | |||||
| 1045 | P | 51.8 | Low | 31.2 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | cis | -121.8 | -128 | -12.6 | 29.2 | -2.5 | 0 | 0 | 0 | 109.5 | ||||
| 1046 | P | 49.5 | Very low | 31 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | cis | -140.4 | 176.6 | -22.9 | 39.3 | -19.4 | 0 | 0 | 0 | 118 | ||||
| 1047 | V | 29.8 | Very low | 31.1 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | 77.9 | 111.5 | 142.1 | 163 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1048 | S | 29.5 | Very low | 31.1 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 65.8 | 137.1 | 140 | 77.8 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1049 | G | 26.8 | Very low | 30.9 | Very low | 82 Ų | 82 | 129.5 Ų | 129.5 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | 102.3 | 127.8 | 152 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1050 | G | 26.3 | Very low | 30.8 | Very low | 77 Ų | 77 | 132.1 Ų | 132.1 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | cis | 137.8 | 86.2 | -9.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1051 | L | 25.8 | Very low | 30.6 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 94% | 0.942 | 82% | 0.817 | S | S | * | * | trans | -163.6 | 148.8 | 168.5 | -114.2 | 161 | 0 | 0 | 0 | 110.7 | ||||
| 1052 | A | 26.9 | Very low | 30.5 | Very low | 90 Ų | 90 | 138 Ų | 138 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | trans | -125 | 143.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1053 | L | 25.2 | Very low | 30.4 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -141.1 | 141.6 | 168.6 | -82.6 | 173.3 | 0 | 0 | 0 | 109.8 | ||||
| 1054 | P | 31.5 | Very low | 30.3 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 72% | 0.721 | 81% | 0.813 | S | S | * | * | trans | -84 | 165.9 | 179.8 | 35.7 | -36 | 0 | 0 | 0 | 112.4 | ||||
| 1055 | W | 25.1 | Very low | 29.1 | Very low | 253 Ų | 253 | 142.5 Ų | 142.5 | 96% | 0.958 | 82% | 0.824 | S | S | * | * | trans | -115.6 | 119.1 | 170.1 | -83.1 | 14.2 | 0 | 0 | 0 | 110.7 | ||||
| 1056 | D | 23.6 | Very low | 27.8 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -86.8 | 137.3 | 168.5 | -79.5 | -50.7 | 0 | 0 | 0 | 111.3 | ||||
| 1057 | P | 29.6 | Very low | 26.6 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | trans | -117.3 | 94.8 | 166.8 | 35.6 | -23.4 | 0 | 0 | 0 | 112.1 | ||||
| 1058 | H | 29.5 | Very low | 26.4 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 82% | 0.824 | 84% | 0.839 | S | S | * | * | trans | -135 | 117 | 171.3 | -87.5 | -49.8 | 0 | 0 | 0 | 112.4 | ||||
| 1059 | S | 25.1 | Very low | 26.3 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | 179.1 | 106.1 | 130.6 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1060 | L | 27.2 | Very low | 26.3 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 94% | 0.942 | 84% | 0.842 | S | S | * | * | trans | -167.1 | 98.7 | 150.8 | -113.4 | 167.2 | 0 | 0 | 0 | 108.9 | ||||
| 1061 | E | 26.4 | Very low | 26.3 | Very low | 185 Ų | 185 | 145.3 Ų | 145.3 | 86% | 0.864 | 84% | 0.838 | S | S | * | * | trans | -87.3 | 143.1 | 179.7 | -68.5 | -173.2 | 100.1 | 0 | 0 | 112.6 | ||||
| 1062 | M | 25.6 | Very low | 26.4 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 89% | 0.892 | 82% | 0.821 | S | S | * | * | trans | -144.9 | 95.8 | 148 | -91.4 | -158 | -69.2 | 0 | 0 | 111.8 | ||||
| 1063 | V | 25.1 | Very low | 26.5 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 80% | 0.8 | 82% | 0.82 | S | S | * | * | trans | 21.8 | 101.3 | 150.1 | -169.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1064 | L | 24.8 | Very low | 26.5 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -80.4 | 146.7 | 155.1 | -80.4 | 87.4 | 0 | 0 | 0 | 111.1 | ||||
| 1065 | I | 26.2 | Very low | 26.2 | Very low | 167 Ų | 167 | 148.2 Ų | 148.2 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | trans | -104.6 | 111.9 | 158.7 | -64.2 | 175.2 | 0 | 0 | 0 | 107.1 | ||||
| 1066 | G | 24.2 | Very low | 26.2 | Very low | 64 Ų | 64 | 142.7 Ų | 142.7 | 66% | 0.66 | 82% | 0.817 | S | S | * | * | trans | -81.3 | 159 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1067 | C | 24.8 | Very low | 26.4 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 91% | 0.912 | 82% | 0.817 | S | S | * | * | trans | -138.2 | 120.4 | 163.9 | -81.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1068 | H | 26 | Very low | 26.2 | Very low | 208 Ų | 208 | 147.3 Ų | 147.3 | 96% | 0.963 | 82% | 0.823 | S | S | * | * | trans | -80.5 | 144.1 | 172.9 | -78.3 | -90.2 | 0 | 0 | 0 | 111.4 | ||||
| 1069 | G | 26.8 | Very low | 26.2 | Very low | 79 Ų | 79 | 147.7 Ų | 147.7 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | trans | 164.6 | 82.5 | 170 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1070 | S | 26.9 | Very low | 26.2 | Very low | 127 Ų | 127 | 146 Ų | 146 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | trans | -76.9 | 146.1 | 172 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1071 | G | 26.8 | Very low | 26.2 | Very low | 70 Ų | 70 | 144.7 Ų | 144.7 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | trans | -178.1 | 71.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1072 | T | 26.8 | Very low | 26.3 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 58% | 0.577 | 82% | 0.822 | S | S | * | * | trans | -65.9 | 120.2 | 176.5 | -54.6 | 0 | 0 | 0 | 0 | 112.8 | E564 | E564-T1072 WeakPolarHBondContact OE1-CB 3.41Å; E564-T1072 VanDerWaalsContact OE1-CG2 3.29Å; E564-T1072 WeakPolarHBondContact OE1-CG2 3.41Å; E564-T1072 PolarHBondContact OE1-OG1 3.36Å | ||
| 1073 | V | 30.1 | Very low | 26.4 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 73% | 0.733 | 85% | 0.845 | S | S | * | * | trans | -146.8 | 138.3 | 166.5 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1074 | Q | 24.6 | Very low | 26.5 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 77% | 0.766 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 145.5 | 176 | -61.6 | 165.5 | -77.3 | 0 | 0 | 112.3 | ||
| 1075 | W | 26.2 | Very low | 26.6 | Very low | 225 Ų | 225 | 141.1 Ų | 141.1 | 85% | 0.852 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 129.6 | 165.8 | -75.1 | 86.2 | 0 | 0 | 0 | 111.3 | ||
| 1076 | T | 24 | Very low | 26.6 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 83% | 0.834 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -86 | 142.6 | 166.4 | 45.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 1077 | Q | 27.1 | Very low | 26.7 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 82% | 0.818 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 123 | -178.7 | 173.7 | -176.8 | -10.6 | 0 | 0 | 111.2 | ||
| 1078 | E | 25.8 | Very low | 26.8 | Very low | 194 Ų | 194 | 144.6 Ų | 144.6 | 91% | 0.907 | 85% | 0.854 | S | S | * | * | trans | -138.8 | 153.7 | 156.6 | -84.7 | -164.2 | 152.7 | 0 | 0 | 109.8 | ||||
| 1079 | E | 28.9 | Very low | 26.9 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 87% | 0.869 | 85% | 0.847 | S | S | * | * | trans | -96.5 | 145.1 | -173.3 | -57.5 | 173.7 | 137.1 | 0 | 0 | 110.9 | ||||
| 1080 | G | 25.7 | Very low | 26.9 | Very low | 81 Ų | 81 | 144.8 Ų | 144.8 | 84% | 0.835 | 85% | 0.849 | S | S | * | * | trans | -176.7 | 111.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1081 | T | 28.2 | Very low | 26.9 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 94% | 0.939 | 85% | 0.846 | S | S | * | * | trans | -73.8 | 147.8 | 178.5 | 44.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1082 | G | 27.3 | Very low | 26.9 | Very low | 76 Ų | 76 | 152.5 Ų | 152.5 | 78% | 0.784 | 86% | 0.856 | S | S | * | * | trans | 176.5 | 71.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1083 | V | 28.2 | Very low | 26.9 | Very low | 225 Ų | 225 | 157.8 Ų | 157.8 | 100% | 1.364 | 88% | 0.882 | S | S | * | * | trans | 1.3 | 0 | 164.3 | -170.2 | 0 | 0 | 0 | 0 | 117 |
Retrieved 1,083 of 1,083 residues in 166.3 ms
(Link to these results)